smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)C4CCCCC4)nc3[C@@H](C)[C@H]21 ZINC000008644048 291278224 /nfs/dbraw/zinc/27/82/24/291278224.db2.gz WMIOYUFBMNGWTR-MJWZIVSWSA-N 0 0 416.587 4.916 40 0 biogenic,in-vitro HJABRN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c(C)c1 ZINC000001264627 132243566 /nfs/dbraw/zinc/24/35/66/132243566.db2.gz FUYZRASPTLJLFA-UHFFFAOYSA-N 0 0 413.521 4.518 40 0 HJABRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2c1 ZINC000006123553 132309223 /nfs/dbraw/zinc/30/92/23/132309223.db2.gz GSKQCHCHDWVDFG-UHFFFAOYSA-N 0 0 400.400 4.948 40 0 HJABRN Cc1cccc(C(=O)N2CCOc3ccc(-c4csc(NC(=O)C5CC5)n4)cc32)c1 ZINC000012292728 132358037 /nfs/dbraw/zinc/35/80/37/132358037.db2.gz PURHHSGXBYNVQT-UHFFFAOYSA-N 0 0 419.506 4.506 40 0 HJABRN COc1ccc(CCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000022510347 132474819 /nfs/dbraw/zinc/47/48/19/132474819.db2.gz NYOALAUYJIRLFV-UHFFFAOYSA-N 0 0 400.522 4.621 40 0 HJABRN CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000072345071 519701108 /nfs/dbraw/zinc/70/11/08/519701108.db2.gz NGGBQUSDDVGCIX-WIYYLYMNSA-N 0 0 424.610 4.747 40 0 HJABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl ZINC000225691149 519738487 /nfs/dbraw/zinc/73/84/87/519738487.db2.gz GHEMGFNKXYMRER-QGZVFWFLSA-N 0 0 418.940 4.601 40 0 HJABRN CCOc1ccc(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC ZINC000044902269 520945754 /nfs/dbraw/zinc/94/57/54/520945754.db2.gz WZYVQBJVSYRBDW-UHFFFAOYSA-N 0 0 407.894 4.726 40 0 HJABRN CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(=O)OC ZINC000225686155 521051202 /nfs/dbraw/zinc/05/12/02/521051202.db2.gz VWCRLDBQEWEQRQ-UHFFFAOYSA-N 0 0 401.890 4.976 40 0 HJABRN CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1OCC ZINC000044905668 521222198 /nfs/dbraw/zinc/22/21/98/521222198.db2.gz DSPGRHOYKSOWPS-QGZVFWFLSA-N 0 0 407.514 4.528 40 0 HJABRN CCOC(=O)c1ccc(NC(=S)N[C@@H]2CCCc3cc(OC)ccc32)cc1Cl ZINC000225704809 521516236 /nfs/dbraw/zinc/51/62/36/521516236.db2.gz CUNOTEYDHOONFZ-LJQANCHMSA-N 0 0 418.946 4.889 40 0 HJABRN CCOC(=O)c1cccc(NC(=S)NCCCSc2ccc(OC)cc2)c1C ZINC000225803486 521546291 /nfs/dbraw/zinc/54/62/91/521546291.db2.gz REMGGVVFJROULZ-UHFFFAOYSA-N 0 0 418.584 4.649 40 0 HJABRN COc1cc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc(OC)c1OC ZINC000023958808 522433323 /nfs/dbraw/zinc/43/33/23/522433323.db2.gz MQMNJGDENYQWLZ-UHFFFAOYSA-N 0 0 423.534 4.935 40 0 HJABRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 ZINC000044840925 522541919 /nfs/dbraw/zinc/54/19/19/522541919.db2.gz PPEQSXLPXYPQJY-QFIPXVFZSA-N 0 0 408.523 4.677 40 0 HJABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000044883554 522890478 /nfs/dbraw/zinc/89/04/78/522890478.db2.gz RIDHNPGZDFZOGO-QFIPXVFZSA-N 0 0 402.494 4.872 40 0 HJABRN CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1[C@@H](C)Oc1ccccc1 ZINC000032604408 523219093 /nfs/dbraw/zinc/21/90/93/523219093.db2.gz FANCFQSXXDNPTE-GOSISDBHSA-N 0 0 424.570 4.972 40 0 HJABRN COc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)no2)cc1 ZINC000032612003 523224715 /nfs/dbraw/zinc/22/47/15/523224715.db2.gz WWISBOAIBFNGKC-UHFFFAOYSA-N 0 0 410.282 4.783 40 0 HJABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccco1 ZINC000045890632 523679560 /nfs/dbraw/zinc/67/95/60/523679560.db2.gz NRGWRCDVJSIESE-UHFFFAOYSA-N 0 0 402.086 4.510 40 0 HJABRN COc1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)c(OC)c1OC ZINC000045202834 524047702 /nfs/dbraw/zinc/04/77/02/524047702.db2.gz AHVCCEAAIGCRQE-UHFFFAOYSA-N 0 0 409.935 4.555 40 0 HJABRN COc1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1OC ZINC000044902249 524066516 /nfs/dbraw/zinc/06/65/16/524066516.db2.gz MHXCSFGLLLAWET-UHFFFAOYSA-N 0 0 423.534 4.805 40 0 HJABRN Cc1cccc(-n2c(C)nc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c3c2=S)c1 ZINC000040386926 524137298 /nfs/dbraw/zinc/13/72/98/524137298.db2.gz OLOZEWXRHJQMQA-CQSZACIVSA-N 0 0 415.522 4.538 40 0 HJABRN C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NCc3ccco3)n2)C1 ZINC000225912436 524246723 /nfs/dbraw/zinc/24/67/23/524246723.db2.gz AONGGOYMKBNTGK-MRXNPFEDSA-N 0 0 423.542 4.585 40 0 HJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1OC ZINC000044899968 525112061 /nfs/dbraw/zinc/11/20/61/525112061.db2.gz NTZGBMHGCXFYMJ-SNVBAGLBSA-N 0 0 414.296 4.725 40 0 HJABRN Cc1ccccc1OC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 ZINC000041077664 525277758 /nfs/dbraw/zinc/27/77/58/525277758.db2.gz YUCZLGPJAPRRJP-UHFFFAOYSA-N 0 0 405.273 4.505 40 0 HJABRN Cc1ccc(OC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1C ZINC000041077666 525366724 /nfs/dbraw/zinc/36/67/24/525366724.db2.gz MVIXLBSWZVNTNU-UHFFFAOYSA-N 0 0 419.300 4.814 40 0 HJABRN Cc1ccc(S(=O)(=O)c2ncn(Cc3ccccc3)c2NCc2ccccc2)cc1 ZINC000032617732 525634559 /nfs/dbraw/zinc/63/45/59/525634559.db2.gz CFZZCJXZGRGYDE-UHFFFAOYSA-N 0 0 417.534 4.685 40 0 HJABRN Cc1cc2ccc(C)c(C)c2n2c(SCC(=O)N3CCCc4ccccc43)nnc12 ZINC000000903190 525650656 /nfs/dbraw/zinc/65/06/56/525650656.db2.gz FBOTYZAISJEWQN-UHFFFAOYSA-N 0 0 416.550 4.879 40 0 HJABRN C[C@H](Nc1ncc(-c2cnccn2)c(-c2cccs2)n1)c1ccc2c(c1)OCCO2 ZINC000072338762 525680688 /nfs/dbraw/zinc/68/06/88/525680688.db2.gz ANFRUWMPXJOIFQ-AWEZNQCLSA-N 0 0 417.494 4.606 40 0 HJABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)Cc1ccc(Br)cc1 ZINC000020137195 525751956 /nfs/dbraw/zinc/75/19/56/525751956.db2.gz UTRASEMDGHDCIM-UHFFFAOYSA-N 0 0 400.272 4.691 40 0 HJABRN Cc1ccc(C(=O)COC(=O)c2ccccc2C(=O)Nc2cccc3ncccc32)cc1 ZINC000032122928 526049520 /nfs/dbraw/zinc/04/95/20/526049520.db2.gz KPZGXUNBWSTZTE-UHFFFAOYSA-N 0 0 424.456 4.835 40 0 HJABRN S=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc(Br)c1 ZINC000225832577 526385137 /nfs/dbraw/zinc/38/51/37/526385137.db2.gz HWASFGNUMSLFJF-UHFFFAOYSA-N 0 0 423.723 4.639 40 0 HJABRN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000044850510 526980077 /nfs/dbraw/zinc/98/00/77/526980077.db2.gz MCUFUZVSXHXUHE-UHFFFAOYSA-N 0 0 419.717 4.574 40 0 HJABRN O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000044933036 527040236 /nfs/dbraw/zinc/04/02/36/527040236.db2.gz ONCXJDCTTPHSQZ-QFIPXVFZSA-N 0 0 400.925 4.885 40 0 HJABRN O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cccc(Cl)c1 ZINC000032604069 527076492 /nfs/dbraw/zinc/07/64/92/527076492.db2.gz GAMXNAQHWTXGQE-UHFFFAOYSA-N 0 0 402.882 4.803 40 0 HJABRN Cc1ncc(NC(=O)COc2ccccc2C)n1-c1nc(-c2ccc(C)cc2)cs1 ZINC000032616128 527293728 /nfs/dbraw/zinc/29/37/28/527293728.db2.gz CCRYDHPOLNPPKH-UHFFFAOYSA-N 0 0 418.522 4.939 40 0 HJABRN Cc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1F ZINC000000918242 557118191 /nfs/dbraw/zinc/11/81/91/557118191.db2.gz GMXOZFVHJXKUDP-UHFFFAOYSA-N 0 0 404.323 4.708 40 0 HJABRN COc1cc(/C=C2\N=C(c3ccco3)OC2=O)cc(Cl)c1OC(=O)c1ccccc1 ZINC000001067507 557166957 /nfs/dbraw/zinc/16/69/57/557166957.db2.gz JBBDOMVCAXSESN-WJDWOHSUSA-N 0 0 423.808 4.505 40 0 HJABRN COc1cccc([C@H](OC(=O)c2ccccc2)c2nncc3ccccc32)c1OC ZINC000001557210 557272248 /nfs/dbraw/zinc/27/22/48/557272248.db2.gz HKTDBFBIEKRRPF-QHCPKHFHSA-N 0 0 400.434 4.593 40 0 HJABRN CCOP(=O)(CC(=O)NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC ZINC000001567842 557272984 /nfs/dbraw/zinc/27/29/84/557272984.db2.gz RYFGYFZBHJEGDD-UHFFFAOYSA-N 0 0 413.495 4.870 40 0 HJABRN O=C(c1ccccc1)[C@@H](c1ccccc1)[C@]1(O)C(=O)Nc2c1c(Cl)ccc2Cl ZINC000001624261 557276886 /nfs/dbraw/zinc/27/68/86/557276886.db2.gz VWMXTTTURNAMRN-VGOFRKELSA-N 0 0 412.272 4.800 40 0 HJABRN Cc1cc(=O)oc2c(C)c(OCCCOc3ccc4c(C)cc(=O)oc4c3C)ccc12 ZINC000001634397 557277801 /nfs/dbraw/zinc/27/78/01/557277801.db2.gz VYEHRAYYXSMDJC-UHFFFAOYSA-N 0 0 420.461 4.981 40 0 HJABRN O=C(/C=C/c1ccc(Cl)cc1)NCCCCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000001698228 557281489 /nfs/dbraw/zinc/28/14/89/557281489.db2.gz CGSDJGYNWMIMLE-FNCQTZNRSA-N 0 0 417.336 4.733 40 0 HJABRN CN(C)C(=O)[C@H](c1ccccc1)C(c1ccccc1)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000001717693 557282482 /nfs/dbraw/zinc/28/24/82/557282482.db2.gz HVCLVYPRLVRRIB-JWQCQUIFSA-N 0 0 414.549 4.514 40 0 HJABRN CCOc1ccccc1-c1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1 ZINC000408526806 557288290 /nfs/dbraw/zinc/28/82/90/557288290.db2.gz GOTOFLSNTXVYPW-UHFFFAOYSA-N 0 0 423.325 4.908 40 0 HJABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000001839942 557291604 /nfs/dbraw/zinc/29/16/04/557291604.db2.gz YWYJYXXTEGYBFZ-UHFFFAOYSA-N 0 0 417.962 4.856 40 0 HJABRN COc1ccc(-c2cc(C)nc(SCC(=O)N3CCCc4ccccc43)n2)cc1 ZINC000408547019 557369976 /nfs/dbraw/zinc/36/99/76/557369976.db2.gz QKEJZTOAOSASEN-UHFFFAOYSA-N 0 0 405.523 4.532 40 0 HJABRN CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)c1ccccc1 ZINC000408554081 557451166 /nfs/dbraw/zinc/45/11/66/557451166.db2.gz BLEOSGFCHNTZQL-UHFFFAOYSA-N 0 0 424.522 4.755 40 0 HJABRN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)c1ccc(C)cc1 ZINC000408557080 557453775 /nfs/dbraw/zinc/45/37/75/557453775.db2.gz KVAYYGTYNGMVTP-UHFFFAOYSA-N 0 0 424.522 4.674 40 0 HJABRN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1C ZINC000408559872 557457349 /nfs/dbraw/zinc/45/73/49/557457349.db2.gz WWSAVPLKFMEQFI-UHFFFAOYSA-N 0 0 420.962 4.774 40 0 HJABRN Cc1cccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)c1 ZINC000408561900 557460492 /nfs/dbraw/zinc/46/04/92/557460492.db2.gz LLKQHHQCMLYCEX-UHFFFAOYSA-N 0 0 402.523 4.598 40 0 HJABRN O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 ZINC000408562917 557462153 /nfs/dbraw/zinc/46/21/53/557462153.db2.gz SHNBZLFFFPYBNZ-UHFFFAOYSA-N 0 0 419.264 4.534 40 0 HJABRN CCOC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CCC2 ZINC000408563047 557462453 /nfs/dbraw/zinc/46/24/53/557462453.db2.gz IBEZQRMASHXAKK-UHFFFAOYSA-N 0 0 403.569 4.902 40 0 HJABRN CCOc1cc(C(=S)NCCOC)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572204 557469556 /nfs/dbraw/zinc/46/95/56/557469556.db2.gz FPLLVXKNIDRENI-UHFFFAOYSA-N 0 0 414.354 4.883 40 0 HJABRN CCN1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)CC1 ZINC000408578572 557472545 /nfs/dbraw/zinc/47/25/45/557472545.db2.gz YWBDSUDYFJHOEN-UHFFFAOYSA-N 0 0 409.382 4.885 40 0 HJABRN COc1cccc(OC)c1C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC000408575598 557479081 /nfs/dbraw/zinc/47/90/81/557479081.db2.gz OBZUYCLUDJSGKX-UHFFFAOYSA-N 0 0 400.327 4.674 40 0 HJABRN CCOC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1 ZINC000408583861 557483349 /nfs/dbraw/zinc/48/33/49/557483349.db2.gz XWUVVCICHTWWIG-UHFFFAOYSA-N 0 0 421.238 4.580 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)c(C)c1 ZINC000408584045 557483804 /nfs/dbraw/zinc/48/38/04/557483804.db2.gz LGZUWUOXCMOTEB-UHFFFAOYSA-N 0 0 401.532 4.512 40 0 HJABRN O=C(CN1CCCCCC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408581011 557486012 /nfs/dbraw/zinc/48/60/12/557486012.db2.gz FYQPKRCCPUCFTL-UHFFFAOYSA-N 0 0 411.571 4.694 40 0 HJABRN CCCCc1ccc(NS(=O)(=O)c2ccc(OCC)c(NC(=O)OCC)c2)cc1 ZINC000408585059 557488227 /nfs/dbraw/zinc/48/82/27/557488227.db2.gz BJIAVADUUADLPZ-UHFFFAOYSA-N 0 0 420.531 4.797 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1Cl ZINC000408584326 557490236 /nfs/dbraw/zinc/49/02/36/557490236.db2.gz ODTWHYOMWCKAMM-UHFFFAOYSA-N 0 0 421.950 4.857 40 0 HJABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)c(Cl)c1 ZINC000408597144 557516756 /nfs/dbraw/zinc/51/67/56/557516756.db2.gz XHGIBXGETQDMCG-UHFFFAOYSA-N 0 0 418.143 4.812 40 0 HJABRN CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000408601246 557521711 /nfs/dbraw/zinc/52/17/11/557521711.db2.gz JIFIKQXEBUUSFH-DEDYPNTBSA-N 0 0 424.522 4.767 40 0 HJABRN Cc1cc(S(=O)(=O)NC2CCCCCC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408609742 557533024 /nfs/dbraw/zinc/53/30/24/557533024.db2.gz RVTMXIPDCRXMQP-UHFFFAOYSA-N 0 0 420.962 4.902 40 0 HJABRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1O ZINC000408610659 557533981 /nfs/dbraw/zinc/53/39/81/557533981.db2.gz RAKGNXTZXLAAKW-UHFFFAOYSA-N 0 0 424.065 4.924 40 0 HJABRN Cc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1NC(=O)c1ccccc1 ZINC000408617071 557543902 /nfs/dbraw/zinc/54/39/02/557543902.db2.gz CEBNNZPZLOIDRU-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1cccc2ccccc21 ZINC000408625005 557556205 /nfs/dbraw/zinc/55/62/05/557556205.db2.gz HPMSFYCSUSFAOV-UHFFFAOYSA-N 0 0 414.486 4.654 40 0 HJABRN CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 ZINC000408627229 557560203 /nfs/dbraw/zinc/56/02/03/557560203.db2.gz LLJJFQLJJQCSFM-UHFFFAOYSA-N 0 0 402.479 4.579 40 0 HJABRN COc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2ccccc2OC)cc1 ZINC000408627509 557560891 /nfs/dbraw/zinc/56/08/91/557560891.db2.gz NGKBXNMZPKGATK-UHFFFAOYSA-N 0 0 417.914 4.753 40 0 HJABRN COc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)c2cccc(F)c2)cc1 ZINC000408628480 557562627 /nfs/dbraw/zinc/56/26/27/557562627.db2.gz YBPZKWULWSHMAE-UHFFFAOYSA-N 0 0 405.878 4.883 40 0 HJABRN CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000408628775 557562738 /nfs/dbraw/zinc/56/27/38/557562738.db2.gz XHSRLPAHCBLLGT-UHFFFAOYSA-N 0 0 403.891 4.713 40 0 HJABRN CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 ZINC000408639618 557607234 /nfs/dbraw/zinc/60/72/34/557607234.db2.gz GCJDZPRCWMRVBP-PBHICJAKSA-N 0 0 415.331 4.560 40 0 HJABRN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc21 ZINC000004885994 557609912 /nfs/dbraw/zinc/60/99/12/557609912.db2.gz MUKYFAXMEFAQCP-DOMZBBRYSA-N 0 0 416.547 4.679 40 0 HJABRN CC(C)n1c(C(=O)O[C@@H](C(=O)NC2CCCC2)c2ccccn2)cc2sccc21 ZINC000004924288 557614412 /nfs/dbraw/zinc/61/44/12/557614412.db2.gz NIVKKIRFJOSJBK-HXUWFJFHSA-N 0 0 411.527 4.636 40 0 HJABRN O=C(/C=C/c1ccc(Cl)cc1)NCCCCNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000004963701 557617779 /nfs/dbraw/zinc/61/77/79/557617779.db2.gz CGSDJGYNWMIMLE-MFUUIURDSA-N 0 0 417.336 4.733 40 0 HJABRN Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O ZINC000408647853 557625794 /nfs/dbraw/zinc/62/57/94/557625794.db2.gz XQBWFVBKGGYZDU-CYBMUJFWSA-N 0 0 421.722 4.711 40 0 HJABRN CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408653944 557638720 /nfs/dbraw/zinc/63/87/20/557638720.db2.gz FSMLEQAEXOSLIM-GJZGRUSLSA-N 0 0 416.315 4.921 40 0 HJABRN CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408653942 557638771 /nfs/dbraw/zinc/63/87/71/557638771.db2.gz FSMLEQAEXOSLIM-CABCVRRESA-N 0 0 416.315 4.921 40 0 HJABRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1C ZINC000408663782 557646545 /nfs/dbraw/zinc/64/65/45/557646545.db2.gz NTOFOIPTZIMDSI-UHFFFAOYSA-N 0 0 423.296 4.511 40 0 HJABRN CCOC(=O)N1N=C(c2ccccc2)O[C@@]2(N3CCCC3)CC[C@H](C(C)(C)C)C[C@H]12 ZINC000005496892 557658026 /nfs/dbraw/zinc/65/80/26/557658026.db2.gz VGGJUABZLUJXJR-SKPFHBQLSA-N 0 0 413.562 4.844 40 0 HJABRN CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 ZINC000408671852 557663223 /nfs/dbraw/zinc/66/32/23/557663223.db2.gz LRLAXBPALOQETA-NPFVIJTESA-N 0 0 416.521 4.765 40 0 HJABRN COc1ccc(NC(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000035289474 557672129 /nfs/dbraw/zinc/67/21/29/557672129.db2.gz KFQBVOAWDXACGY-UHFFFAOYSA-N 0 0 418.419 4.933 40 0 HJABRN CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000005861888 557677967 /nfs/dbraw/zinc/67/79/67/557677967.db2.gz IBBPIZRQBOUQFE-UHFFFAOYSA-N 0 0 413.543 4.587 40 0 HJABRN CCOc1ccccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408675621 557678144 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CC[C@H](C)Oc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000006243290 557695908 /nfs/dbraw/zinc/69/59/08/557695908.db2.gz VJUCECQAGMOQDU-HNNXBMFYSA-N 0 0 422.447 4.972 40 0 HJABRN CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000006540872 557706907 /nfs/dbraw/zinc/70/69/07/557706907.db2.gz RMAIZIDQAIBPCV-UHFFFAOYSA-N 0 0 400.544 4.627 40 0 HJABRN CCn1c2ccccc2nc1SC(=O)c1ccc(I)cc1 ZINC000408692560 557709271 /nfs/dbraw/zinc/70/92/71/557709271.db2.gz PIOQOPJWXNDELY-UHFFFAOYSA-N 0 0 408.264 4.593 40 0 HJABRN Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2ccccc2C)c1 ZINC000408698696 557714966 /nfs/dbraw/zinc/71/49/66/557714966.db2.gz RLRVOYVOWDIONM-UHFFFAOYSA-N 0 0 411.461 4.591 40 0 HJABRN CCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)cc1 ZINC000408698820 557715731 /nfs/dbraw/zinc/71/57/31/557715731.db2.gz PVQPSSGXRKGDLV-UHFFFAOYSA-N 0 0 402.429 4.724 40 0 HJABRN Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl ZINC000408701788 557725397 /nfs/dbraw/zinc/72/53/97/557725397.db2.gz 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Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC(C(C)C)C(C)C)c2)cc1 ZINC000030871211 558743317 /nfs/dbraw/zinc/74/33/17/558743317.db2.gz AICRZSKDWJZELQ-UHFFFAOYSA-N 0 0 422.978 4.860 40 0 HJABRN COc1ccc(CN(C)C(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000030946135 558746537 /nfs/dbraw/zinc/74/65/37/558746537.db2.gz APJWMNQQCCPSOV-UHFFFAOYSA-N 0 0 421.368 4.873 40 0 HJABRN Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015796513 558753479 /nfs/dbraw/zinc/75/34/79/558753479.db2.gz IBSWDPDRJGXHIB-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN Cc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032112090 558753757 /nfs/dbraw/zinc/75/37/57/558753757.db2.gz CEFMOXJVCFDXJV-UHFFFAOYSA-N 0 0 419.462 4.713 40 0 HJABRN C=C(OC)c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 ZINC000016189520 558777135 /nfs/dbraw/zinc/77/71/35/558777135.db2.gz VJURPWYKDKUWME-FYJGNVAPSA-N 0 0 418.424 4.796 40 0 HJABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)Nc1cccc(F)c1 ZINC000016399163 558789698 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CJQIEPPSLAIMLD-UHFFFAOYSA-N 0 0 421.453 4.775 40 0 HJABRN O=C(C[C@@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000039964078 558823049 /nfs/dbraw/zinc/82/30/49/558823049.db2.gz AQQSLKLZURUGOZ-OAQYLSRUSA-N 0 0 402.498 4.676 40 0 HJABRN S=C(NC[C@@H]1CCC[C@H](CNC(=S)Nc2ccccc2)C1)Nc1ccccc1 ZINC000018146087 558832070 /nfs/dbraw/zinc/83/20/70/558832070.db2.gz LGRUFGOYKVRLQQ-HDICACEKSA-N 0 0 412.628 4.766 40 0 HJABRN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019081328 558839365 /nfs/dbraw/zinc/83/93/65/558839365.db2.gz WCZNZENOXFMDLJ-HXUWFJFHSA-N 0 0 401.514 4.992 40 0 HJABRN CC(C)(C)c1ccc(OCC(=O)N2CCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000019084506 558840857 /nfs/dbraw/zinc/84/08/57/558840857.db2.gz SSFLTZDTOKNRGQ-GOSISDBHSA-N 0 0 411.527 4.838 40 0 HJABRN Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2cccc(Cl)c2)on1 ZINC000019121852 558843364 /nfs/dbraw/zinc/84/33/64/558843364.db2.gz GWLUJBDHWFFEAL-LJQANCHMSA-N 0 0 410.905 4.698 40 0 HJABRN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)CCc3ccccc3)cc2)on1 ZINC000019123855 558844172 /nfs/dbraw/zinc/84/41/72/558844172.db2.gz UJQFGIQPBIXWBR-UHFFFAOYSA-N 0 0 412.493 4.664 40 0 HJABRN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)c3csc(C)c3)cc2)on1 ZINC000019123918 558844286 /nfs/dbraw/zinc/84/42/86/558844286.db2.gz LOTVOAZSDQJMPZ-UHFFFAOYSA-N 0 0 404.495 4.715 40 0 HJABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(C)c(C)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000013618737 558848338 /nfs/dbraw/zinc/84/83/38/558848338.db2.gz XDFUWSLMORUIPV-HJOGWXRNSA-N 0 0 412.489 4.663 40 0 HJABRN COCc1ccc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(-c4cccc(C)c4)nn32)o1 ZINC000019235327 558854368 /nfs/dbraw/zinc/85/43/68/558854368.db2.gz MMWHEIPUIIYTKV-FDDCHVKYSA-N 0 0 414.509 4.706 40 0 HJABRN Cc1csc2c([C@H]3CCN(C(=O)CCc4c(C)noc4C)C3)nc(C3CCC3)n12 ZINC000019240485 558858981 /nfs/dbraw/zinc/85/89/81/558858981.db2.gz SOIYKHKSMWZCCS-KRWDZBQOSA-N 0 0 412.559 4.525 40 0 HJABRN Cc1csc2c([C@@H]3CCN(C(=O)CCc4c(C)noc4C)C3)nc(C3CCC3)n12 ZINC000019240484 558859037 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0 0 418.946 4.909 40 0 HJABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 ZINC000408801087 560642492 /nfs/dbraw/zinc/64/24/92/560642492.db2.gz SNUSBVMHKGMYDX-UHFFFAOYSA-N 0 0 424.727 4.880 40 0 HJABRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408820610 560645494 /nfs/dbraw/zinc/64/54/94/560645494.db2.gz YWFPUESVPJEURS-WQRHYEAKSA-N 0 0 403.887 4.984 40 0 HJABRN Cc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(Br)cc2)cc1 ZINC000408842229 560646149 /nfs/dbraw/zinc/64/61/49/560646149.db2.gz JFNZMLMSGXVAQJ-XSFVSMFZSA-N 0 0 418.294 4.987 40 0 HJABRN Clc1ccc(OCc2nnc(SCc3ccc4c(c3)OCO4)o2)c(Cl)c1 ZINC000408864127 560648227 /nfs/dbraw/zinc/64/82/27/560648227.db2.gz SKTQTEATBRMMKK-UHFFFAOYSA-N 0 0 411.266 4.976 40 0 HJABRN CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408969615 560659588 /nfs/dbraw/zinc/65/95/88/560659588.db2.gz QTJYFPKBIRXNPK-UHFFFAOYSA-N 0 0 405.325 4.504 40 0 HJABRN CCOc1cc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)ccc1OC(C)=O ZINC000408975455 560660234 /nfs/dbraw/zinc/66/02/34/560660234.db2.gz KNVNQEVCLSRPLN-DJKKODMXSA-N 0 0 409.482 4.523 40 0 HJABRN COc1ccccc1NC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408977361 560660638 /nfs/dbraw/zinc/66/06/38/560660638.db2.gz IMLBEDLQLGNZTJ-UHFFFAOYSA-N 0 0 409.449 4.881 40 0 HJABRN CCOC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1 ZINC000408979324 560661299 /nfs/dbraw/zinc/66/12/99/560661299.db2.gz MMDIJTUTVKWPIG-SFHVURJKSA-N 0 0 409.511 4.935 40 0 HJABRN CCOC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccc2)c(C)s1)c1ccccc1 ZINC000408979323 560661325 /nfs/dbraw/zinc/66/13/25/560661325.db2.gz MMDIJTUTVKWPIG-GOSISDBHSA-N 0 0 409.511 4.935 40 0 HJABRN CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000409000046 560663698 /nfs/dbraw/zinc/66/36/98/560663698.db2.gz DNEWAKCPHFYXPJ-NLFFAJNJSA-N 0 0 414.549 4.837 40 0 HJABRN CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCCC1 ZINC000409000764 560663912 /nfs/dbraw/zinc/66/39/12/560663912.db2.gz FVDICBUDDQYVJG-NRFANRHFSA-N 0 0 413.562 4.833 40 0 HJABRN CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O ZINC000409009457 560665127 /nfs/dbraw/zinc/66/51/27/560665127.db2.gz ACBADLTXCGOAMZ-XDUBLRSXSA-N 0 0 417.508 4.727 40 0 HJABRN O=C1N/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000409011286 560665507 /nfs/dbraw/zinc/66/55/07/560665507.db2.gz FXYOVUSZUWYGBO-LPYMAVHISA-N 0 0 420.415 4.637 40 0 HJABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C1=O ZINC000409015703 560666436 /nfs/dbraw/zinc/66/64/36/560666436.db2.gz RVSRDFSFKRLNSZ-RBYWHNRPSA-N 0 0 424.522 4.847 40 0 HJABRN Cc1ccc(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000409028912 560667617 /nfs/dbraw/zinc/66/76/17/560667617.db2.gz TUHQYBMKKRZOQX-SFHVURJKSA-N 0 0 424.522 4.581 40 0 HJABRN CCc1ccc(NC(=O)CN(c2ccccc2CC)S(=O)(=O)c2ccccc2)cc1 ZINC000409024165 560667690 /nfs/dbraw/zinc/66/76/90/560667690.db2.gz ALYWXCQCCSQTCH-UHFFFAOYSA-N 0 0 422.550 4.645 40 0 HJABRN O=C(Nc1ccc(F)cc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409027130 560668103 /nfs/dbraw/zinc/66/81/03/560668103.db2.gz ALQDBOWLQCENJM-HSZRJFAPSA-N 0 0 424.472 4.991 40 0 HJABRN O=C(Nc1ccc(F)cc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000409027131 560668118 /nfs/dbraw/zinc/66/81/18/560668118.db2.gz ALQDBOWLQCENJM-QHCPKHFHSA-N 0 0 424.472 4.991 40 0 HJABRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C ZINC000409113371 560678236 /nfs/dbraw/zinc/67/82/36/560678236.db2.gz HPWUPBIDUUBQBG-LZYBPNLTSA-N 0 0 421.280 4.887 40 0 HJABRN COCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O ZINC000409136108 560682477 /nfs/dbraw/zinc/68/24/77/560682477.db2.gz SCZGNMQIRBMNFQ-KGENOOAVSA-N 0 0 406.507 4.681 40 0 HJABRN CCOc1ccc(Br)cc1C[C@H]1SC(=O)N(Cc2ccccc2)C1=O ZINC000409139267 560683187 /nfs/dbraw/zinc/68/31/87/560683187.db2.gz BMYPSQRBQBIZNL-QGZVFWFLSA-N 0 0 420.328 4.655 40 0 HJABRN CCN1C(=O)S/C(=C\c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C1=O ZINC000409147395 560683633 /nfs/dbraw/zinc/68/36/33/560683633.db2.gz WHWVRARBRDTOGW-STZFKDTASA-N 0 0 422.506 4.785 40 0 HJABRN Cc1ccc(F)cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 ZINC000409154224 560685236 /nfs/dbraw/zinc/68/52/36/560685236.db2.gz GDMPNQXGIJIUHX-UHFFFAOYSA-N 0 0 415.490 4.950 40 0 HJABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000409167168 560686303 /nfs/dbraw/zinc/68/63/03/560686303.db2.gz HFJKZMFEHWEHFD-LZYBPNLTSA-N 0 0 421.305 4.977 40 0 HJABRN O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc(Cl)c3)c2)o1 ZINC000409171661 560686537 /nfs/dbraw/zinc/68/65/37/560686537.db2.gz CBSZOIGUFIUTSM-UHFFFAOYSA-N 0 0 418.232 4.861 40 0 HJABRN O=C(OCc1ccc(Cl)cc1Cl)c1cccc(I)c1 ZINC000409172447 560686647 /nfs/dbraw/zinc/68/66/47/560686647.db2.gz IIIFAGYTLNKEMO-UHFFFAOYSA-N 0 0 407.034 4.955 40 0 HJABRN CCOc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409174837 560686976 /nfs/dbraw/zinc/68/69/76/560686976.db2.gz VWCYNXOWLZHCDG-XNTDXEJSSA-N 0 0 421.678 4.599 40 0 HJABRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409178387 560687554 /nfs/dbraw/zinc/68/75/54/560687554.db2.gz HBOMGAGVPSZYSJ-LZYBPNLTSA-N 0 0 421.305 4.977 40 0 HJABRN CCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000409180974 560688378 /nfs/dbraw/zinc/68/83/78/560688378.db2.gz ZZUGGGKNUPOPFQ-QGZVFWFLSA-N 0 0 422.900 4.993 40 0 HJABRN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cccc(Cl)c1 ZINC000409194833 560690106 /nfs/dbraw/zinc/69/01/06/560690106.db2.gz CPYRPAUMSNGVDI-UHFFFAOYSA-N 0 0 420.962 4.522 40 0 HJABRN CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)C(C)C ZINC000409202692 560693462 /nfs/dbraw/zinc/69/34/62/560693462.db2.gz SXNANZRHEBRESN-CHHVJCJISA-N 0 0 415.342 4.675 40 0 HJABRN CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1-c1ccc(OC)cc1 ZINC000409205147 560694182 /nfs/dbraw/zinc/69/41/82/560694182.db2.gz MRUBITDKFTVJST-BZZOAKBMSA-N 0 0 410.583 4.968 40 0 HJABRN CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N(CC)CC)cc1 ZINC000409216698 560697349 /nfs/dbraw/zinc/69/73/49/560697349.db2.gz ODMVNUDOEJNBRA-UHFFFAOYSA-N 0 0 422.598 4.575 40 0 HJABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000409225802 560698118 /nfs/dbraw/zinc/69/81/18/560698118.db2.gz LFZMAKDOLOLWDV-WOJGMQOQSA-N 0 0 414.889 4.619 40 0 HJABRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000409228304 560698279 /nfs/dbraw/zinc/69/82/79/560698279.db2.gz WZTZFYJSGDCAAL-CXUHLZMHSA-N 0 0 421.280 4.887 40 0 HJABRN CC(=O)c1ccc(-c2ccc(C=C3NC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 ZINC000409238177 560699375 /nfs/dbraw/zinc/69/93/75/560699375.db2.gz LYILNGKJEGXUGS-FYJGNVAPSA-N 0 0 400.434 4.551 40 0 HJABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000409231002 560700319 /nfs/dbraw/zinc/70/03/19/560700319.db2.gz ARWUFUYTMFRYNT-KGENOOAVSA-N 0 0 416.477 4.730 40 0 HJABRN Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 ZINC000409245217 560701251 /nfs/dbraw/zinc/70/12/51/560701251.db2.gz PFAVCMRHDCVPLL-HYARGMPZSA-N 0 0 416.452 4.806 40 0 HJABRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC ZINC000409247783 560701798 /nfs/dbraw/zinc/70/17/98/560701798.db2.gz NVJFKNNPZFWBDE-JASJWYONSA-N 0 0 413.923 4.599 40 0 HJABRN Cc1cccc(CN2C(=O)N/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)c1 ZINC000409243796 560702860 /nfs/dbraw/zinc/70/28/60/560702860.db2.gz UJWCTGWGXJNSHT-OEAKJJBVSA-N 0 0 416.452 4.806 40 0 HJABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1cccc(C)c1O)N2 ZINC000409364585 560715238 /nfs/dbraw/zinc/71/52/38/560715238.db2.gz XPWWXZDDODFYTR-AFBRZQFHSA-N 0 0 412.452 4.616 40 0 HJABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 ZINC000409358240 560715748 /nfs/dbraw/zinc/71/57/48/560715748.db2.gz KUKSBBHFXUITRJ-LICLKQGHSA-N 0 0 400.887 4.632 40 0 HJABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)c(C)c1 ZINC000409374617 560717086 /nfs/dbraw/zinc/71/70/86/560717086.db2.gz VBYNFYZBCVLQJY-JAXWBCMNSA-N 0 0 406.507 4.843 40 0 HJABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)c(C)c1 ZINC000409374616 560717088 /nfs/dbraw/zinc/71/70/88/560717088.db2.gz VBYNFYZBCVLQJY-DLKPYUDTSA-N 0 0 406.507 4.843 40 0 HJABRN COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 ZINC000409376661 560717839 /nfs/dbraw/zinc/71/78/39/560717839.db2.gz CIEIROLBNYGTKD-UHFFFAOYSA-N 0 0 420.509 4.950 40 0 HJABRN Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)Nc1ccccc1 ZINC000409380742 560718658 /nfs/dbraw/zinc/71/86/58/560718658.db2.gz HIDKTSARZXVALJ-UHFFFAOYSA-N 0 0 400.887 4.702 40 0 HJABRN COC(=O)c1ccc(Cn2cc(/C=C3\SC(=O)N(C(C)C)C3=O)c3ccccc32)o1 ZINC000409390637 560718677 /nfs/dbraw/zinc/71/86/77/560718677.db2.gz GIVVGWYAVKJHDH-GRSHGNNSSA-N 0 0 424.478 4.514 40 0 HJABRN CC[C@H](C)n1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c2ccccc21 ZINC000409392473 560719191 /nfs/dbraw/zinc/71/91/91/560719191.db2.gz MUQLDPHIFBNWQD-BDQMVGTNSA-N 0 0 401.535 4.999 40 0 HJABRN CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000000623213 560724917 /nfs/dbraw/zinc/72/49/17/560724917.db2.gz VZGNPWJXNYRHQC-XMMPIXPASA-N 0 0 400.522 4.670 40 0 HJABRN C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000001940136 560729929 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Cc1nnc2sc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)nn12 ZINC000020609580 558389544 /nfs/dbraw/zinc/38/95/44/558389544.db2.gz KQIXKTKCXIFZBT-UHFFFAOYSA-N 0 0 404.282 4.720 40 0 HJABRN COc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610673 558391046 /nfs/dbraw/zinc/39/10/46/558391046.db2.gz VJKDPLDYKPBKBL-UHFFFAOYSA-N 0 0 416.481 4.570 40 0 HJABRN COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(C(C)C)cc2)C4)cc1 ZINC000020671754 558398362 /nfs/dbraw/zinc/39/83/62/558398362.db2.gz KQUMXJCUMSBSRK-IBGZPJMESA-N 0 0 412.493 4.836 40 0 HJABRN CCCCCN1c2nc3ccccc3n2[C@H](c2cccc(C)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675737 558399929 /nfs/dbraw/zinc/39/99/29/558399929.db2.gz KJZKSIZZEXJDBK-FGZHOGPDSA-N 0 0 419.525 4.650 40 0 HJABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccccc2C)[C@@H](C(=O)OCC)C1=O ZINC000020675881 558399939 /nfs/dbraw/zinc/39/99/39/558399939.db2.gz OHOJNZLHXQFCCK-YADHBBJMSA-N 0 0 419.525 4.650 40 0 HJABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc(C)cc1 ZINC000020802590 558416012 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CC[C@H](C(=O)Nc1cccc2ccccc21)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716138 558579224 /nfs/dbraw/zinc/57/92/24/558579224.db2.gz FFXVRHFIWMZVPB-JOCHJYFZSA-N 0 0 410.539 4.640 40 0 HJABRN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Br)s1 ZINC000024560634 558601035 /nfs/dbraw/zinc/60/10/35/558601035.db2.gz AXKIILNTAJVZSG-HNNXBMFYSA-N 0 0 416.344 4.563 40 0 HJABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000013999706 558612052 /nfs/dbraw/zinc/61/20/52/558612052.db2.gz GCTUWIROTVZSOB-OALUTQOASA-N 0 0 402.494 4.892 40 0 HJABRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000014004477 558612667 /nfs/dbraw/zinc/61/26/67/558612667.db2.gz VOWJNYDTWQMALZ-GOSISDBHSA-N 0 0 424.522 4.510 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)c(C)c1 ZINC000014004412 558612752 /nfs/dbraw/zinc/61/27/52/558612752.db2.gz RQFACXHXYTYKKR-GOSISDBHSA-N 0 0 424.522 4.510 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)cc1C ZINC000014004400 558612770 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O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccccc2F)C1)Nc1ccccc1F ZINC000016450369 558792438 /nfs/dbraw/zinc/79/24/38/558792438.db2.gz VIMPJHCHXBIHNB-HOTGVXAUSA-N 0 0 416.472 4.714 40 0 HJABRN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)Sc1nc2ccccc2o1 ZINC000016545273 558795564 /nfs/dbraw/zinc/79/55/64/558795564.db2.gz ODIFZWDELZGVTF-UHFFFAOYSA-N 0 0 416.458 4.676 40 0 HJABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000036020313 558796749 /nfs/dbraw/zinc/79/67/49/558796749.db2.gz XHRLTYUHWGHDCJ-WZAAVQHPSA-N 0 0 404.591 4.775 40 0 in-vitro HJABRN COc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2ccccc2OC)cc1 ZINC000016711380 558801679 /nfs/dbraw/zinc/80/16/79/558801679.db2.gz KXQZVNZZPKFSRG-IZHYLOQSSA-N 0 0 416.502 4.964 40 0 HJABRN Cc1cc2nc(-c3cc(N)cc(Br)c3O)oc2c(Br)c1C ZINC000073634574 558809395 /nfs/dbraw/zinc/80/93/95/558809395.db2.gz XURLUOBDUWJCMG-UHFFFAOYSA-N 0 0 412.081 4.924 40 0 HJABRN COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000038834539 558817636 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NMCHFINFRORNIA-POTDNYQPSA-N 0 0 407.513 4.968 40 0 HJABRN CC(C)(C)Nc1nc(NCc2ccccc2Br)cc(-c2cccnc2)n1 ZINC000328987086 571305026 /nfs/dbraw/zinc/30/50/26/571305026.db2.gz IAVGDEHKUIQWKN-UHFFFAOYSA-N 0 0 412.335 5.124 40 0 HJABRN CC(C)(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)n1 ZINC000329010890 571305044 /nfs/dbraw/zinc/30/50/44/571305044.db2.gz MDAQVDYRIBHQNS-UHFFFAOYSA-N 0 0 412.335 5.124 40 0 HJABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)n1 ZINC000329062353 571306302 /nfs/dbraw/zinc/30/63/02/571306302.db2.gz WWYGIYBVZWXDCI-INIZCTEOSA-N 0 0 412.481 5.138 40 0 HJABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(-c2ccncc2)nc(NC(C)C)n1 ZINC000329009033 571307726 /nfs/dbraw/zinc/30/77/26/571307726.db2.gz LUXPTGUDBIKSTM-UHFFFAOYSA-N 0 0 403.408 5.310 40 0 HJABRN CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 ZINC000013378641 291273137 /nfs/dbraw/zinc/27/31/37/291273137.db2.gz WCWOWFQELCQQCI-AUSBBASTSA-N 0 0 424.493 4.716 40 0 biogenic,in-vitro HJABRN COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc(C)c3)no2)c2ccccc12 ZINC000015674359 291277390 /nfs/dbraw/zinc/27/73/90/291277390.db2.gz AFBHWOAHGKRBHJ-KNQAVFIVSA-N 0 0 415.493 4.515 40 0 biogenic,in-vitro HJABRN Clc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc4ccccc4c3)n2)cc1 ZINC000067898563 291279668 /nfs/dbraw/zinc/27/96/68/291279668.db2.gz MZCYKXFLFQHZDO-QFIPXVFZSA-N 0 0 404.901 4.852 40 0 biogenic,in-vitro HJABRN COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(Br)c(C)c1 ZINC000004852759 132290555 /nfs/dbraw/zinc/29/05/55/132290555.db2.gz KTGKXZMLWBOGBR-DNVCBOLYSA-N 0 0 403.276 4.536 40 0 HJABRN COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(Cl)cc1 ZINC000009559344 132340988 /nfs/dbraw/zinc/34/09/88/132340988.db2.gz XXXJSYIFOAVBLI-RDTXWAMCSA-N 0 0 423.694 4.881 40 0 HJABRN O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1cccc(F)c1 ZINC000012237305 132357512 /nfs/dbraw/zinc/35/75/12/132357512.db2.gz JYYFZHQDKMXOSV-UHFFFAOYSA-N 0 0 421.497 4.891 40 0 HJABRN CCC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cs1 ZINC000012237286 132357552 /nfs/dbraw/zinc/35/75/52/132357552.db2.gz FIKNHXGGWYTXCS-UHFFFAOYSA-N 0 0 409.486 4.891 40 0 HJABRN CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OC)c2)CCC[C@H](C)C1 ZINC000225853658 520276673 /nfs/dbraw/zinc/27/66/73/520276673.db2.gz MMVOCTBWAGBLHR-SBUREZEXSA-N 0 0 405.535 4.822 40 0 HJABRN CC1CC[NH+](CCC(=O)C[C@H](c2ccccc2)c2c([O-])c3ccccc3oc2=O)CC1 ZINC000031841659 521001565 /nfs/dbraw/zinc/00/15/65/521001565.db2.gz KVSDYLTUWJAGOT-JOCHJYFZSA-N 0 0 419.521 4.712 40 0 HJABRN CC1CCN(c2nc(=O)c3c(ncn(-c4ccc5ccccc5c4)c3=S)[nH]2)CC1 ZINC000040385731 521046566 /nfs/dbraw/zinc/04/65/66/521046566.db2.gz ONPBZDCNPIVJEA-UHFFFAOYSA-N 0 0 403.511 4.640 40 0 HJABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1Cl ZINC000044884554 521510447 /nfs/dbraw/zinc/51/04/47/521510447.db2.gz AFMPZKDYRWLUBZ-LBPRGKRZSA-N 0 0 423.918 4.653 40 0 HJABRN CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1 ZINC000072390626 521543268 /nfs/dbraw/zinc/54/32/68/521543268.db2.gz FGCXJYDMUQSYSY-HXUWFJFHSA-N 0 0 419.529 4.888 40 0 HJABRN CCOC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br ZINC000040942656 521550821 /nfs/dbraw/zinc/55/08/21/521550821.db2.gz OKFYMGQCFSVKPR-UHFFFAOYSA-N 0 0 420.303 4.767 40 0 HJABRN CCSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000044880209 521778581 /nfs/dbraw/zinc/77/85/81/521778581.db2.gz HDUCLHUKDNYVGO-UHFFFAOYSA-N 0 0 412.536 4.852 40 0 HJABRN CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(OC)cc1 ZINC000044936371 522669904 /nfs/dbraw/zinc/66/99/04/522669904.db2.gz NIIUHZXZVSTRNF-JOCHJYFZSA-N 0 0 418.940 4.967 40 0 HJABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000044901470 522871776 /nfs/dbraw/zinc/87/17/76/522871776.db2.gz HBCDFSATXXNFGV-QFIPXVFZSA-N 0 0 406.482 4.623 40 0 HJABRN COc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)no2)cc1 ZINC000032611992 523224074 /nfs/dbraw/zinc/22/40/74/523224074.db2.gz VUGMNTCNESKKRO-UHFFFAOYSA-N 0 0 410.282 4.783 40 0 HJABRN CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1 ZINC000045890916 523677795 /nfs/dbraw/zinc/67/77/95/523677795.db2.gz CHDTXASNKVVXCF-UHFFFAOYSA-N 0 0 412.125 4.917 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000225690482 523912625 /nfs/dbraw/zinc/91/26/25/523912625.db2.gz QFXSQITZKKBCOF-LJQANCHMSA-N 0 0 412.549 4.510 40 0 HJABRN COc1cccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)c1 ZINC000036616729 524088520 /nfs/dbraw/zinc/08/85/20/524088520.db2.gz GOEVKTOWOYPYHB-QGZVFWFLSA-N 0 0 414.509 4.596 40 0 HJABRN C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCC3)n2)C1 ZINC000226006086 524106629 /nfs/dbraw/zinc/10/66/29/524106629.db2.gz NXNKTMXEAFIJIJ-INIZCTEOSA-N 0 0 411.575 4.734 40 0 HJABRN Cc1cccc(-c2ccc(CC3(C(=O)N(C)C)CCN(C(=O)CC(C)C)CC3)cc2)c1 ZINC000072345227 524109033 /nfs/dbraw/zinc/10/90/33/524109033.db2.gz DXTFFRWRGQJQKO-UHFFFAOYSA-N 0 0 420.597 4.948 40 0 HJABRN Cc1cc(C)c2c(=O)ccn(CC(=O)N(Cc3ccccc3)Cc3ccccc3)c2c1 ZINC000225756479 524342603 /nfs/dbraw/zinc/34/26/03/524342603.db2.gz KXBVSVDFUSSZAY-UHFFFAOYSA-N 0 0 410.517 4.847 40 0 HJABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1C ZINC000044841547 524781863 /nfs/dbraw/zinc/78/18/63/524781863.db2.gz NAYNYZGNQTVCMC-LJQANCHMSA-N 0 0 402.494 4.639 40 0 HJABRN COc1ccc(OC)c(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000020029784 524816856 /nfs/dbraw/zinc/81/68/56/524816856.db2.gz MAMXJBZQQBDISO-UHFFFAOYSA-N 0 0 407.310 4.923 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1Cl ZINC000044899832 525075808 /nfs/dbraw/zinc/07/58/08/525075808.db2.gz WXUCBOHPCFCFRH-OAQYLSRUSA-N 0 0 401.915 4.725 40 0 HJABRN C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(F)cc1 ZINC000020491602 525333553 /nfs/dbraw/zinc/33/35/53/525333553.db2.gz PNYRWQQPRYWRER-IQMFZBJNSA-N 0 0 424.497 4.684 40 0 HJABRN Cc1ccc(OCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044908891 525418276 /nfs/dbraw/zinc/41/82/76/525418276.db2.gz VMTQITXHZRHUEX-UHFFFAOYSA-N 0 0 421.368 4.709 40 0 HJABRN COc1cccc(CC(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c1 ZINC000072353904 525865732 /nfs/dbraw/zinc/86/57/32/525865732.db2.gz KPWAMLOBKCEYQM-XMMPIXPASA-N 0 0 414.549 4.938 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000044842062 525913002 /nfs/dbraw/zinc/91/30/02/525913002.db2.gz JPOADSSIAPINIK-IBGZPJMESA-N 0 0 422.550 4.904 40 0 HJABRN Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)Cc1cccs1 ZINC000032610633 526284223 /nfs/dbraw/zinc/28/42/23/526284223.db2.gz LLPYCHCVZOXPAC-UHFFFAOYSA-N 0 0 409.433 4.798 40 0 HJABRN Cc1nn2c(ncc3c2ccn(CCc2ccccc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397603 526313260 /nfs/dbraw/zinc/31/32/60/526313260.db2.gz BKMUGNISIFOPAY-UHFFFAOYSA-N 0 0 414.896 4.916 40 0 HJABRN Cc1nn2c(nnc3c2ccn(-c2cccc(Cl)c2Cl)c3=O)c1-c1ccccc1 ZINC000019818933 526313750 /nfs/dbraw/zinc/31/37/50/526313750.db2.gz RSJRRQVRIVDVPH-UHFFFAOYSA-N 0 0 422.275 4.711 40 0 HJABRN Cc1nc(CC(=O)N2CCC(c3cccc(Cc4ccccc4C)n3)CC2)cs1 ZINC000072350058 526786473 /nfs/dbraw/zinc/78/64/73/526786473.db2.gz OELNBIZYHGCPBV-UHFFFAOYSA-N 0 0 405.567 4.694 40 0 HJABRN Clc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)cc1 ZINC000020121027 526962578 /nfs/dbraw/zinc/96/25/78/526962578.db2.gz PPIJUGQMUCPMAA-HSZRJFAPSA-N 0 0 415.928 4.523 40 0 HJABRN O=C1CCCN1c1ccc(CNc2ncc(-c3ccncc3)c(-c3ccco3)n2)cc1 ZINC000072396550 526980703 /nfs/dbraw/zinc/98/07/03/526980703.db2.gz PODHBIOPUNKPJF-UHFFFAOYSA-N 0 0 411.465 4.538 40 0 HJABRN Cc1nc2nc3ccn([C@@H]4CCC[C@@H](C)[C@@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398553 527202601 /nfs/dbraw/zinc/20/26/01/527202601.db2.gz GQUFVIMCKZPHRD-BIENJYKASA-N 0 0 405.477 4.551 40 0 HJABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072358932 527229441 /nfs/dbraw/zinc/22/94/41/527229441.db2.gz MUKLVJATYYAUOJ-SFHVURJKSA-N 0 0 409.892 4.885 40 0 HJABRN O=c1c(CN(CCCn2ccnc2)Cc2ccccc2Cl)coc2ccccc12 ZINC000043277785 527450126 /nfs/dbraw/zinc/45/01/26/527450126.db2.gz UFPFKQDCSFWRCB-UHFFFAOYSA-N 0 0 407.901 4.735 40 0 HJABRN Cc1cc(C)c2cc(CN(C(=S)NCc3ccco3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000874715 557107905 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Nc1nc(-c2ccccc2)nc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)ccc12 ZINC000019743390 558263951 /nfs/dbraw/zinc/26/39/51/558263951.db2.gz IJPUCQDOHPUHPV-IBGZPJMESA-N 0 0 415.541 4.560 40 0 HJABRN Cc1ccc2c(cc(C(=O)N3CCC(CC(=O)N[C@H](C)c4ccccc4)CC3)n2C)c1 ZINC000019748625 558267946 /nfs/dbraw/zinc/26/79/46/558267946.db2.gz KVZFKZNRQXMMTP-LJQANCHMSA-N 0 0 417.553 4.606 40 0 HJABRN Cc1nc([C@H]2CCCCN2Cc2ccccn2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753751 558273032 /nfs/dbraw/zinc/27/30/32/558273032.db2.gz IAIRICITYLPSCZ-OAQYLSRUSA-N 0 0 421.932 4.813 40 0 HJABRN Cc1nc(CC2CCN(C(=O)[C@@H]3CC34CCC4)CC2)cc(NCc2ccccc2F)n1 ZINC000019758915 558275361 /nfs/dbraw/zinc/27/53/61/558275361.db2.gz SUJKQLNVUWDRCY-NRFANRHFSA-N 0 0 422.548 4.508 40 0 HJABRN COc1ccc([C@H]2Cc3c(c(C)nn3-c3nc4ccccc4s3)C(=O)C2)c(OC)c1 ZINC000019817331 558287590 /nfs/dbraw/zinc/28/75/90/558287590.db2.gz VVUKEAIGMKDCEV-AWEZNQCLSA-N 0 0 419.506 4.720 40 0 HJABRN COc1ccc([C@H]2Cc3c(c(C)nn3-c3nc4ccccc4s3)C(=O)C2)cc1OC ZINC000019817335 558287655 /nfs/dbraw/zinc/28/76/55/558287655.db2.gz LLLNMUNPLQGMDZ-HNNXBMFYSA-N 0 0 419.506 4.720 40 0 HJABRN COc1ccccc1-c1nnc(CSc2nnc(COc3ccc(C)c(C)c3)o2)o1 ZINC000019928070 558308668 /nfs/dbraw/zinc/30/86/68/558308668.db2.gz WPVOCKINFADWCU-UHFFFAOYSA-N 0 0 424.482 4.616 40 0 HJABRN Cc1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)c2ccccc2F)n1 ZINC000012089181 558323616 /nfs/dbraw/zinc/32/36/16/558323616.db2.gz PNGQKOCDNAKJRJ-UHFFFAOYSA-N 0 0 412.468 4.829 40 0 HJABRN CCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000020029953 558323874 /nfs/dbraw/zinc/32/38/74/558323874.db2.gz UWBLRSHQFHMQOM-NSHDSACASA-N 0 0 418.740 4.541 40 0 HJABRN Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000020036938 558325139 /nfs/dbraw/zinc/32/51/39/558325139.db2.gz NKEDRZQQTLVEBJ-UHFFFAOYSA-N 0 0 422.550 4.685 40 0 HJABRN COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(I)cc2)cc1 ZINC000020039804 558325642 /nfs/dbraw/zinc/32/56/42/558325642.db2.gz VHRVKGPWOMTQND-SFHVURJKSA-N 0 0 423.294 4.817 40 0 HJABRN COc1ccc(S[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020040290 558325783 /nfs/dbraw/zinc/32/57/83/558325783.db2.gz UMELCFFGDJNOKH-HNNXBMFYSA-N 0 0 424.488 4.543 40 0 HJABRN CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1OCC ZINC000020048003 558327777 /nfs/dbraw/zinc/32/77/77/558327777.db2.gz TVOIZTARULRSCU-KRWDZBQOSA-N 0 0 412.530 4.584 40 0 HJABRN Cc1c(C)n(Cc2ccccc2)c2ncnc(OC3CCN(C(=O)C(C)(C)C)CC3)c12 ZINC000012133545 558333185 /nfs/dbraw/zinc/33/31/85/558333185.db2.gz GWZUEZRPTBEJIV-UHFFFAOYSA-N 0 0 420.557 4.512 40 0 HJABRN COc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1-c1ccc(CO)o1 ZINC000020144235 558339487 /nfs/dbraw/zinc/33/94/87/558339487.db2.gz WBHZKXGTAZYLNY-UHFFFAOYSA-N 0 0 422.264 4.772 40 0 HJABRN COc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1-c1ccc(CO)o1 ZINC000020144361 558339738 /nfs/dbraw/zinc/33/97/38/558339738.db2.gz SXEJASPNYOHHOX-UHFFFAOYSA-N 0 0 415.873 4.735 40 0 HJABRN CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1OC ZINC000020151156 558340817 /nfs/dbraw/zinc/34/08/17/558340817.db2.gz UGWMZGCPHNYESU-WUXMJOGZSA-N 0 0 423.465 4.507 40 0 HJABRN Cc1cc(NC(=O)c2ccc(I)cc2)ccc1Br ZINC000020298600 558354482 /nfs/dbraw/zinc/35/44/82/558354482.db2.gz XMFWDLGZBYAITQ-UHFFFAOYSA-N 0 0 416.056 4.614 40 0 HJABRN Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)c1 ZINC000020449430 558364638 /nfs/dbraw/zinc/36/46/38/558364638.db2.gz YNVOXTTYEFIQJD-MRXNPFEDSA-N 0 0 424.497 4.526 40 0 HJABRN O=C(Nc1ccc(F)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020456403 558369995 /nfs/dbraw/zinc/36/99/95/558369995.db2.gz RKIJBSDZYYEBOW-UHFFFAOYSA-N 0 0 404.850 4.532 40 0 HJABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020459560 558371927 /nfs/dbraw/zinc/37/19/27/558371927.db2.gz SGYMEPOFCIBPAR-MUNMYPBESA-N 0 0 414.549 4.855 40 0 HJABRN CCOc1cc(CO)cc(Br)c1OCc1ccc(Br)cc1 ZINC000036825174 558386072 /nfs/dbraw/zinc/38/60/72/558386072.db2.gz YSPFLQGZMRLAJU-UHFFFAOYSA-N 0 0 416.109 4.682 40 0 HJABRN CCOc1ccc(-n2nc3ccc(NC(=O)CSc4ccccc4)cc3n2)cc1 ZINC000020610269 558390450 /nfs/dbraw/zinc/39/04/50/558390450.db2.gz FGRDJLJGISITEJ-UHFFFAOYSA-N 0 0 404.495 4.550 40 0 HJABRN Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610655 558391043 /nfs/dbraw/zinc/39/10/43/558391043.db2.gz POXAVIDBRGUZRQ-UHFFFAOYSA-N 0 0 400.482 4.870 40 0 HJABRN Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)cc1 ZINC000020632383 558394954 /nfs/dbraw/zinc/39/49/54/558394954.db2.gz HRVUUCHWLCSZJM-SFHVURJKSA-N 0 0 400.507 4.638 40 0 HJABRN Cc1cccc2c(C)nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)nc12 ZINC000020797987 558414771 /nfs/dbraw/zinc/41/47/71/558414771.db2.gz RBILYFZHOHQHGS-UHFFFAOYSA-N 0 0 405.889 4.626 40 0 HJABRN Cc1cc2nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)nc(C)c2cc1C ZINC000020797981 558414892 /nfs/dbraw/zinc/41/48/92/558414892.db2.gz JIFOKSMBSYTWPP-UHFFFAOYSA-N 0 0 419.916 4.935 40 0 HJABRN COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)c1 ZINC000021581229 558441900 /nfs/dbraw/zinc/44/19/00/558441900.db2.gz RRWJOFDJADGSSP-UHFFFAOYSA-N 0 0 404.510 4.820 40 0 HJABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Oc3ccccc3)cc1)cn2C ZINC000022237249 558471044 /nfs/dbraw/zinc/47/10/44/558471044.db2.gz PEJKSAHAFNEBIA-UHFFFAOYSA-N 0 0 414.461 4.982 40 0 HJABRN CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000022517163 558494138 /nfs/dbraw/zinc/49/41/38/558494138.db2.gz DNBKRLWLOOTZAH-QFIPXVFZSA-N 0 0 422.550 4.701 40 0 HJABRN COc1ccc(CN2C(=O)c3ccccc3C(=CN[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000023295879 558548055 /nfs/dbraw/zinc/54/80/55/558548055.db2.gz OBOIWTUNSQCWPD-MGXVVPFJSA-N 0 0 418.537 4.633 40 0 HJABRN COc1ccc(CN2C(=O)c3ccccc3C(=CN[C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 ZINC000023295887 558548151 /nfs/dbraw/zinc/54/81/51/558548151.db2.gz OBOIWTUNSQCWPD-AZFPVRROSA-N 0 0 418.537 4.633 40 0 HJABRN Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1)C3 ZINC000013634218 558553344 /nfs/dbraw/zinc/55/33/44/558553344.db2.gz KUZKTXRXWPGDDN-GOSISDBHSA-N 0 0 400.507 4.638 40 0 HJABRN COc1cccc(NC(=O)c2nnc3c(-c4cccc5ccccc54)c(C)nn3c2C)c1 ZINC000013635726 558554092 /nfs/dbraw/zinc/55/40/92/558554092.db2.gz ZAYXCRWGGCSRBJ-UHFFFAOYSA-N 0 0 423.476 4.822 40 0 HJABRN Cc1c(Cl)cccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000013678396 558565350 /nfs/dbraw/zinc/56/53/50/558565350.db2.gz GRKZPWPTFWULQQ-UHFFFAOYSA-N 0 0 420.943 4.787 40 0 HJABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013685564 558569340 /nfs/dbraw/zinc/56/93/40/558569340.db2.gz FLCLUWCXYACMTC-OAHLLOKOSA-N 0 0 400.906 4.809 40 0 HJABRN O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000013687600 558570588 /nfs/dbraw/zinc/57/05/88/558570588.db2.gz IMWKADVQYWCKRO-UHFFFAOYSA-N 0 0 420.940 4.877 40 0 HJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2cccc3ccccc32)CC1 ZINC000013709252 558575267 /nfs/dbraw/zinc/57/52/67/558575267.db2.gz RMSDDDIFWPOSEH-GOSISDBHSA-N 0 0 408.929 4.918 40 0 HJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2cccc3ccccc32)CC1 ZINC000013709254 558575274 /nfs/dbraw/zinc/57/52/74/558575274.db2.gz RMSDDDIFWPOSEH-SFHVURJKSA-N 0 0 408.929 4.918 40 0 HJABRN CC[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711661 558576318 /nfs/dbraw/zinc/57/63/18/558576318.db2.gz WSAPRHWNXQNRNX-OAQYLSRUSA-N 0 0 424.522 4.662 40 0 HJABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714636 558578122 /nfs/dbraw/zinc/57/81/22/558578122.db2.gz YQKWZNSFSPKJNA-LJQANCHMSA-N 0 0 422.978 4.648 40 0 HJABRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716116 558579240 /nfs/dbraw/zinc/57/92/40/558579240.db2.gz KKIQVPOFBFTSAN-NRFANRHFSA-N 0 0 402.560 4.610 40 0 HJABRN Cn1c2ccc(NC(=O)N3c4ccccc4Sc4ccccc43)cc2n(C)c1=O ZINC000013717251 558580018 /nfs/dbraw/zinc/58/00/18/558580018.db2.gz KZLQJKJLKKTBPM-UHFFFAOYSA-N 0 0 402.479 4.712 40 0 HJABRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Sc1ccccc1 ZINC000013717376 558580027 /nfs/dbraw/zinc/58/00/27/558580027.db2.gz UYDQPRZUGDSJMQ-UHFFFAOYSA-N 0 0 416.502 4.853 40 0 HJABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000014008112 558612876 /nfs/dbraw/zinc/61/28/76/558612876.db2.gz LTGJYHPTRRGTMH-SFHVURJKSA-N 0 0 424.522 4.510 40 0 HJABRN COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(Br)cc2)c1 ZINC000024936961 558621765 /nfs/dbraw/zinc/62/17/65/558621765.db2.gz VHNQKOAFMHJYJK-ZDUSSCGKSA-N 0 0 424.360 4.577 40 0 HJABRN COc1ccc(CN(C)C(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000014275397 558651709 /nfs/dbraw/zinc/65/17/09/558651709.db2.gz UVFQOQODGWWNJE-UHFFFAOYSA-N 0 0 414.299 4.648 40 0 HJABRN CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000014909715 558679111 /nfs/dbraw/zinc/67/91/11/558679111.db2.gz FXZSTBCIAGNPAN-UHFFFAOYSA-N 0 0 408.523 4.887 40 0 HJABRN O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039773301 558686628 /nfs/dbraw/zinc/68/66/28/558686628.db2.gz RLFYNGHXEQPVPS-UHFFFAOYSA-N 0 0 404.957 4.776 40 0 HJABRN Cc1ccc(SCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039743060 558686935 /nfs/dbraw/zinc/68/69/35/558686935.db2.gz BFVMRCVUDYRXEM-UHFFFAOYSA-N 0 0 420.981 4.908 40 0 HJABRN Cc1nn(C)cc1-c1nn(-c2ccccc2Cl)c(-c2cn(C)nc2C)c1Cl ZINC000036611572 558726050 /nfs/dbraw/zinc/72/60/50/558726050.db2.gz ZUKPDNYBMXIGCO-UHFFFAOYSA-N 0 0 401.301 4.597 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)c(Cl)c2)cc1 ZINC000030755415 558736929 /nfs/dbraw/zinc/73/69/29/558736929.db2.gz IKTVMQIEOFLFBH-UHFFFAOYSA-N 0 0 406.935 4.512 40 0 HJABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000030757460 558737468 /nfs/dbraw/zinc/73/74/68/558737468.db2.gz DZFGJEFPPFBOAQ-DEOSSOPVSA-N 0 0 402.538 4.963 40 0 HJABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4Cc5cc(C)cc(O)c5[C@]4(C)C(=O)C[C@H]32)C1 ZINC000033714043 558771068 /nfs/dbraw/zinc/77/10/68/558771068.db2.gz WMRIDQKUHHKMSD-YSBULBLGSA-N 0 0 410.554 4.868 40 0 HJABRN CCN(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000033784061 558771550 /nfs/dbraw/zinc/77/15/50/558771550.db2.gz MTFKPTZVUBUXPK-UHFFFAOYSA-N 0 0 424.566 4.921 40 0 HJABRN COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(F)c1F ZINC000016194434 558777536 /nfs/dbraw/zinc/77/75/36/558777536.db2.gz GRMQPJPWUSDOLI-UHFFFAOYSA-N 0 0 417.318 4.707 40 0 HJABRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc2c(c1)Cc1ccccc1-2 ZINC000035183218 558788996 /nfs/dbraw/zinc/78/89/96/558788996.db2.gz IMBBKSPYJGDJDS-UHFFFAOYSA-N 0 0 417.505 4.619 40 0 HJABRN O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2)C1)Nc1ccc(F)cc1 ZINC000016428379 558791006 /nfs/dbraw/zinc/79/10/06/558791006.db2.gz HRJQDDLRIBCMJZ-HOTGVXAUSA-N 0 0 416.472 4.714 40 0 HJABRN CCOC(=O)c1ccc2nc(-c3cccc(I)c3)sc2c1 ZINC000073740433 558809261 /nfs/dbraw/zinc/80/92/61/558809261.db2.gz UBCAKTFFARXXMJ-UHFFFAOYSA-N 0 0 409.248 4.745 40 0 HJABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000038753365 558813933 /nfs/dbraw/zinc/81/39/33/558813933.db2.gz WHSXSDIWMVDAFJ-GOSISDBHSA-N 0 0 408.523 4.595 40 0 HJABRN O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2F)CC1 ZINC000038756147 558814766 /nfs/dbraw/zinc/81/47/66/558814766.db2.gz ZJQHLEYXOSFFNH-UHFFFAOYSA-N 0 0 413.345 4.715 40 0 HJABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000038772705 558815492 /nfs/dbraw/zinc/81/54/92/558815492.db2.gz DBKOWBMALLTIIM-OAHLLOKOSA-N 0 0 400.906 4.809 40 0 HJABRN COC(=O)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038835143 558817935 /nfs/dbraw/zinc/81/79/35/558817935.db2.gz OGAGLSWSEVYACT-UHFFFAOYSA-N 0 0 421.324 4.631 40 0 HJABRN CCOc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1Cl ZINC000017092441 558820922 /nfs/dbraw/zinc/82/09/22/558820922.db2.gz GSAVORFWGZZKEZ-UHFFFAOYSA-N 0 0 420.852 4.792 40 0 HJABRN Cc1cccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 ZINC000039964025 558823007 /nfs/dbraw/zinc/82/30/07/558823007.db2.gz HIBXGCTUDVNRKZ-QHCPKHFHSA-N 0 0 424.504 4.504 40 0 HJABRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000100984831 558824530 /nfs/dbraw/zinc/82/45/30/558824530.db2.gz LWGQZJYYCUEDKM-DSITVLBTSA-N 0 0 420.468 4.891 40 0 HJABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000101028597 558825257 /nfs/dbraw/zinc/82/52/57/558825257.db2.gz TXMYRMUHOJDGJQ-FKBYEOEOSA-N 0 0 418.880 4.700 40 0 HJABRN CCCOc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1Br ZINC000054363249 558867748 /nfs/dbraw/zinc/86/77/48/558867748.db2.gz HNROJEBPVQTMQR-UHFFFAOYSA-N 0 0 406.386 4.731 40 0 HJABRN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)CC3CCCCC3)CC2)C1 ZINC000019019797 558837630 /nfs/dbraw/zinc/83/76/30/558837630.db2.gz WXMALJVRHCRYDN-UHFFFAOYSA-N 0 0 412.574 4.538 40 0 HJABRN CC(C)C(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019085519 558841232 /nfs/dbraw/zinc/84/12/32/558841232.db2.gz PMAGCGCPEWKASA-SFHVURJKSA-N 0 0 419.504 4.783 40 0 HJABRN COc1ccc(CN2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)c(F)c1 ZINC000019116895 558842271 /nfs/dbraw/zinc/84/22/71/558842271.db2.gz VKWWRXWMISLRJJ-KRWDZBQOSA-N 0 0 408.399 4.541 40 0 HJABRN Cc1csc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c1 ZINC000019124582 558844351 /nfs/dbraw/zinc/84/43/51/558844351.db2.gz XLRWBMUDBKRNEK-IBGZPJMESA-N 0 0 421.570 4.650 40 0 HJABRN Cc1ccc([C@H](NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cccnc2)cc1 ZINC000019136608 558846245 /nfs/dbraw/zinc/84/62/45/558846245.db2.gz YAOHJBWZVWQMDB-DEOSSOPVSA-N 0 0 400.522 4.652 40 0 HJABRN COc1ccc(-c2ncc(CN[C@H](Cc3ccsc3)c3ccc(C)cn3)cn2)cc1 ZINC000019215634 558850108 /nfs/dbraw/zinc/85/01/08/558850108.db2.gz SPYAVLKHOOBYKD-HSZRJFAPSA-N 0 0 416.550 4.991 40 0 HJABRN Cc1ccccc1CN(Cc1ccccc1OCC(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019237141 558856467 /nfs/dbraw/zinc/85/64/67/558856467.db2.gz KIVUNEOSUOEXKW-UHFFFAOYSA-N 0 0 424.585 4.770 40 0 HJABRN Cc1cc(Br)c(S(=O)(=O)NCc2ccccc2Cl)cc1Cl ZINC000054363188 558867858 /nfs/dbraw/zinc/86/78/58/558867858.db2.gz CZIOAKIUIAHGFQ-UHFFFAOYSA-N 0 0 409.132 4.543 40 0 HJABRN O=C(c1cccnc1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019337479 558870413 /nfs/dbraw/zinc/87/04/13/558870413.db2.gz PWNJWLAAUPRZDA-CQSZACIVSA-N 0 0 418.444 4.639 40 0 HJABRN O=C(c1ccncc1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000019373250 558880348 /nfs/dbraw/zinc/88/03/48/558880348.db2.gz AUFCOQVCPHMDAK-JOCHJYFZSA-N 0 0 422.492 4.655 40 0 HJABRN CC(C)c1nc2ccc(NC(=O)c3cccc(N4C(=O)C[C@@H](C)C4=O)c3)cc2s1 ZINC000019462377 558893871 /nfs/dbraw/zinc/89/38/71/558893871.db2.gz RYSORSOVBYCXND-CYBMUJFWSA-N 0 0 407.495 4.571 40 0 HJABRN CCC(CC)C(=O)N1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 ZINC000019500083 558898116 /nfs/dbraw/zinc/89/81/16/558898116.db2.gz AHEPKKKOCQKSNM-HYVNUMGLSA-N 0 0 414.516 4.969 40 0 HJABRN CCC(CC)C(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 ZINC000019500084 558898137 /nfs/dbraw/zinc/89/81/37/558898137.db2.gz AHEPKKKOCQKSNM-BHYGNILZSA-N 0 0 414.516 4.969 40 0 HJABRN CCc1cc(C(=O)N2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)cs1 ZINC000019522121 558903428 /nfs/dbraw/zinc/90/34/28/558903428.db2.gz PIAOKZCNLOWCKZ-GOSISDBHSA-N 0 0 404.495 4.886 40 0 HJABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)cc2n1 ZINC000019522334 558903760 /nfs/dbraw/zinc/90/37/60/558903760.db2.gz MHQJCMYGUWYNKH-MRXNPFEDSA-N 0 0 420.483 4.668 40 0 HJABRN CCCn1c(CN2CCc3onc(Nc4cccc(F)c4)c3C2)nc2ccccc21 ZINC000019526017 558907452 /nfs/dbraw/zinc/90/74/52/558907452.db2.gz PYEDWRUSFKZWHJ-UHFFFAOYSA-N 0 0 405.477 4.875 40 0 HJABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CCC2)C1 ZINC000019528429 558909667 /nfs/dbraw/zinc/90/96/67/558909667.db2.gz NPXVZRPDQMNEFO-DEOSSOPVSA-N 0 0 410.583 4.503 40 0 HJABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000019528814 558910225 /nfs/dbraw/zinc/91/02/25/558910225.db2.gz VGJILEQHACZUOZ-CJFMBICVSA-N 0 0 422.594 4.503 40 0 HJABRN CCOCc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019531257 558911942 /nfs/dbraw/zinc/91/19/42/558911942.db2.gz MGOQFAUQCDLATR-HSZRJFAPSA-N 0 0 416.525 4.669 40 0 HJABRN Cc1c(-c2cccs2)n[nH]c1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000019555128 558917877 /nfs/dbraw/zinc/91/78/77/558917877.db2.gz LGQGGFDPCGQMOD-LJQANCHMSA-N 0 0 411.527 4.735 40 0 HJABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2ccccc2Cl)c1C ZINC000019558592 558920348 /nfs/dbraw/zinc/92/03/48/558920348.db2.gz BIDZRIWSCFEHPF-LJQANCHMSA-N 0 0 411.937 4.805 40 0 HJABRN COc1cc2c(cc1CN[C@@H](Cc1cccs1)c1nc(C)c(C)s1)OCO2 ZINC000019559627 558920923 /nfs/dbraw/zinc/92/09/23/558920923.db2.gz WRJQEDVZVLWWLE-INIZCTEOSA-N 0 0 402.541 4.632 40 0 HJABRN Cc1ncsc1C(=O)N1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 ZINC000019562148 558922691 /nfs/dbraw/zinc/92/26/91/558922691.db2.gz WJQOBDNUEXGRQM-CQSZACIVSA-N 0 0 423.464 4.614 40 0 HJABRN Cc1noc2nc([C@H]3CCCN(C(=O)Cc4ccccc4F)C3)cc(C(F)F)c12 ZINC000019563956 558924043 /nfs/dbraw/zinc/92/40/43/558924043.db2.gz LMYHCIKRSCEQCN-AWEZNQCLSA-N 0 0 403.404 4.557 40 0 HJABRN Nc1cc(Cl)c(NC(=O)c2ccccc2Br)cc1N1CCCCC1 ZINC000072229206 558931887 /nfs/dbraw/zinc/93/18/87/558931887.db2.gz RPUYWMVPUHKRIS-UHFFFAOYSA-N 0 0 408.727 4.927 40 0 HJABRN CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000019579778 558935481 /nfs/dbraw/zinc/93/54/81/558935481.db2.gz AXQXHRWIKKCLFU-OFVILXPXSA-N 0 0 422.594 4.621 40 0 HJABRN O=C(COc1ccc(Cl)cc1Br)N1CCC(Cc2ccccc2)CC1 ZINC000059489250 558937007 /nfs/dbraw/zinc/93/70/07/558937007.db2.gz MINPYRZTFPIOOW-UHFFFAOYSA-N 0 0 422.750 4.963 40 0 HJABRN COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cn(C)nc3C)no2)cc1OC ZINC000019583849 558938118 /nfs/dbraw/zinc/93/81/18/558938118.db2.gz RMLZIUMENWASPC-HXUWFJFHSA-N 0 0 410.518 4.518 40 0 HJABRN Fc1cccc(CNc2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)c1 ZINC000072339475 558938682 /nfs/dbraw/zinc/93/86/82/558938682.db2.gz VSSXSUBJLGMCFW-UHFFFAOYSA-N 0 0 400.413 4.686 40 0 HJABRN CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 ZINC000072348665 558945480 /nfs/dbraw/zinc/94/54/80/558945480.db2.gz UDSKQUVSIJIUSG-HXUWFJFHSA-N 0 0 417.484 4.866 40 0 HJABRN COc1ccc(Cc2cccc(C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 ZINC000072348682 558945500 /nfs/dbraw/zinc/94/55/00/558945500.db2.gz BZFNCGWKTKCCMJ-UHFFFAOYSA-N 0 0 404.485 4.840 40 0 HJABRN CCCn1nnnc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000019596732 558946285 /nfs/dbraw/zinc/94/62/85/558946285.db2.gz JZQLFTPVFISLCD-UHFFFAOYSA-N 0 0 422.316 4.590 40 0 HJABRN O=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072349603 558946545 /nfs/dbraw/zinc/94/65/45/558946545.db2.gz UGZNDIPZAPFUIU-UHFFFAOYSA-N 0 0 406.476 4.899 40 0 HJABRN Cn1nccc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350043 558946952 /nfs/dbraw/zinc/94/69/52/558946952.db2.gz BGDIHRNGKVBDSM-INIZCTEOSA-N 0 0 414.431 4.521 40 0 HJABRN O=C(CCOc1cccc(F)c1)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353419 558950397 /nfs/dbraw/zinc/95/03/97/558950397.db2.gz XCMSIVFSSRBSBU-SFHVURJKSA-N 0 0 420.488 4.534 40 0 HJABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2ccc(Nc3ncccn3)cn2)C1 ZINC000072353410 558950403 /nfs/dbraw/zinc/95/04/03/558950403.db2.gz KADVWLOHMJRZHQ-SFHVURJKSA-N 0 0 421.932 4.607 40 0 HJABRN Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072354214 558951647 /nfs/dbraw/zinc/95/16/47/558951647.db2.gz CZLWLTUXYUBLAQ-JOCHJYFZSA-N 0 0 403.526 4.534 40 0 HJABRN Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cc(Cc3ccccc3)cc(C)n2)C1 ZINC000072354215 558951655 /nfs/dbraw/zinc/95/16/55/558951655.db2.gz CZLWLTUXYUBLAQ-QFIPXVFZSA-N 0 0 403.526 4.534 40 0 HJABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2cc(Cc3ccccc3Cl)cc(C)n2)C1 ZINC000072356169 558952891 /nfs/dbraw/zinc/95/28/91/558952891.db2.gz KRVZLIZARFGUAG-LJQANCHMSA-N 0 0 408.933 4.686 40 0 HJABRN O=C(CN1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1)Nc1nccs1 ZINC000072357704 558953540 /nfs/dbraw/zinc/95/35/40/558953540.db2.gz YHYQQHVNBDDAJF-LJQANCHMSA-N 0 0 412.946 4.558 40 0 HJABRN CCn1ccnc1CN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359139 558954754 /nfs/dbraw/zinc/95/47/54/558954754.db2.gz ONLLJUOVVKTTIK-KRWDZBQOSA-N 0 0 415.463 4.758 40 0 HJABRN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)CC2CCCCC2)c1 ZINC000019689605 558959207 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/nfs/dbraw/zinc/54/97/54/568549754.db2.gz DLHHLCIQUBRLRH-PKTZIBPZSA-N 0 0 417.582 4.956 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1cccnc1 ZINC000223479289 568550010 /nfs/dbraw/zinc/55/00/10/568550010.db2.gz ACOAHSATCUWAGL-DHIUTWEWSA-N 0 0 417.582 4.956 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1cccnc1 ZINC000223479333 568550028 /nfs/dbraw/zinc/55/00/28/568550028.db2.gz ACOAHSATCUWAGL-GOTSBHOMSA-N 0 0 417.582 4.956 40 0 HJABRN CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000223495057 568550483 /nfs/dbraw/zinc/55/04/83/568550483.db2.gz OPEHLDGDKBXAOM-NRPPHEFGSA-N 0 0 402.494 4.935 40 0 HJABRN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026570595 568551161 /nfs/dbraw/zinc/55/11/61/568551161.db2.gz UWCHXMLXDXSLPL-HBOJYENKSA-N 0 0 418.647 4.647 40 0 HJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000223552744 568551590 /nfs/dbraw/zinc/55/15/90/568551590.db2.gz PCYKVTDUPVWOCT-XMMPIXPASA-N 0 0 410.558 4.728 40 0 HJABRN CSc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1NC(=O)C(C)C ZINC000223577443 568552176 /nfs/dbraw/zinc/55/21/76/568552176.db2.gz VAPZRROVKUQOPC-UHFFFAOYSA-N 0 0 416.927 4.596 40 0 HJABRN Cc1ccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1C ZINC000223628582 568553999 /nfs/dbraw/zinc/55/39/99/568553999.db2.gz YGLMYCPPLIVQOX-UHFFFAOYSA-N 0 0 422.506 4.608 40 0 HJABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223649388 568554867 /nfs/dbraw/zinc/55/48/67/568554867.db2.gz RWZHBFYVJZVCJG-XMSQKQJNSA-N 0 0 414.977 4.995 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 ZINC000223653833 568554993 /nfs/dbraw/zinc/55/49/93/568554993.db2.gz SBLYDZZJFAAEEV-JOCHJYFZSA-N 0 0 414.977 4.915 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223657288 568555143 /nfs/dbraw/zinc/55/51/43/568555143.db2.gz KKKXRRKINNCZKK-HSZRJFAPSA-N 0 0 424.585 4.658 40 0 HJABRN Cc1cc(OCC(=O)NCCOc2ccccc2C(C)(C)C)ccc1Br ZINC000223703850 568556698 /nfs/dbraw/zinc/55/66/98/568556698.db2.gz DTOPKCLSDGKPAG-UHFFFAOYSA-N 0 0 420.347 4.629 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000223703087 568556761 /nfs/dbraw/zinc/55/67/61/568556761.db2.gz NSYLHTHYZLYMKS-JOCHJYFZSA-N 0 0 412.599 4.811 40 0 HJABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000223721538 568557390 /nfs/dbraw/zinc/55/73/90/568557390.db2.gz VAOCDVWUNVWGFP-LJQANCHMSA-N 0 0 410.583 4.645 40 0 HJABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 ZINC000223746630 568558022 /nfs/dbraw/zinc/55/80/22/568558022.db2.gz CAPNJUQZQCGTGL-MSOLQXFVSA-N 0 0 401.944 4.982 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000223750493 568558099 /nfs/dbraw/zinc/55/80/99/568558099.db2.gz DJCOEIFEHPZOJR-QFIPXVFZSA-N 0 0 414.977 4.996 40 0 HJABRN Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223757765 568558368 /nfs/dbraw/zinc/55/83/68/568558368.db2.gz VDRKSQVKAFIGED-HXUWFJFHSA-N 0 0 424.610 4.872 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223785476 568558933 /nfs/dbraw/zinc/55/89/33/568558933.db2.gz DBWHDQIZNWRTLQ-JOCHJYFZSA-N 0 0 414.977 4.915 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C ZINC000223794233 568559375 /nfs/dbraw/zinc/55/93/75/568559375.db2.gz FWZGBWUCYLJUFI-JOCHJYFZSA-N 0 0 414.977 4.915 40 0 HJABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(Cl)cc1 ZINC000223844164 568560566 /nfs/dbraw/zinc/56/05/66/568560566.db2.gz LLGRXDYSDAZSMP-HNNXBMFYSA-N 0 0 422.953 4.515 40 0 HJABRN CCCC[C@H](CC)CNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000223866066 568561255 /nfs/dbraw/zinc/56/12/55/568561255.db2.gz NPSRIGKIYKSEAC-IBGZPJMESA-N 0 0 416.587 4.766 40 0 HJABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1C ZINC000223929010 568563270 /nfs/dbraw/zinc/56/32/70/568563270.db2.gz UENLFOJXSKNKOP-QHCPKHFHSA-N 0 0 422.550 4.985 40 0 HJABRN Cc1c(Cl)cnc(NC(=S)NCc2ccccc2Cl)c1Br ZINC000223933239 568563388 /nfs/dbraw/zinc/56/33/88/568563388.db2.gz OHBHOQRGLVDEIF-UHFFFAOYSA-N 0 0 405.148 4.946 40 0 HJABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1C ZINC000223940658 568563646 /nfs/dbraw/zinc/56/36/46/568563646.db2.gz WWLDUOVHRKKLJF-LJQANCHMSA-N 0 0 422.550 4.638 40 0 HJABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 ZINC000223950210 568564179 /nfs/dbraw/zinc/56/41/79/568564179.db2.gz GGEQOKFTIDOLOR-JOCHJYFZSA-N 0 0 408.523 4.677 40 0 HJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 ZINC000223962456 568564612 /nfs/dbraw/zinc/56/46/12/568564612.db2.gz USERKWVDGATFPG-FCHUYYIVSA-N 0 0 419.554 4.600 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223965005 568564630 /nfs/dbraw/zinc/56/46/30/568564630.db2.gz ONTUVAOTRCSGNV-INIZCTEOSA-N 0 0 421.368 4.706 40 0 HJABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 ZINC000223962387 568564692 /nfs/dbraw/zinc/56/46/92/568564692.db2.gz CIKWXFPILHABHS-FQEVSTJZSA-N 0 0 412.486 4.508 40 0 HJABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 ZINC000223962413 568564706 /nfs/dbraw/zinc/56/47/06/568564706.db2.gz USERKWVDGATFPG-YADHBBJMSA-N 0 0 419.554 4.600 40 0 HJABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1 ZINC000223967594 568564726 /nfs/dbraw/zinc/56/47/26/568564726.db2.gz YOEGQALRYYEKIW-NRFANRHFSA-N 0 0 412.486 4.508 40 0 HJABRN O=C(NCCC1CCCCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000223969021 568564731 /nfs/dbraw/zinc/56/47/31/568564731.db2.gz KSXUTUSVTSHKIZ-UHFFFAOYSA-N 0 0 418.534 4.717 40 0 HJABRN Cc1nc(NC(=S)NCC2(c3ccccc3)CCCC2)ccc1Br ZINC000223971448 568564948 /nfs/dbraw/zinc/56/49/48/568564948.db2.gz NTQMLWTXAQKJGF-UHFFFAOYSA-N 0 0 404.377 4.951 40 0 HJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 ZINC000223982546 568565272 /nfs/dbraw/zinc/56/52/72/568565272.db2.gz TWEOTEFTOPBFRH-VXKWHMMOSA-N 0 0 419.554 4.600 40 0 HJABRN Cc1c(Cl)cnc(NC(=S)NCC2(c3ccccc3)CCOCC2)c1Cl ZINC000224011107 568566264 /nfs/dbraw/zinc/56/62/64/568566264.db2.gz IDQKBACIKXFNCV-UHFFFAOYSA-N 0 0 410.370 4.732 40 0 HJABRN Cc1ccc(Cl)cc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O ZINC000224049185 568567771 /nfs/dbraw/zinc/56/77/71/568567771.db2.gz JWLIQZBAGRPIGM-UHFFFAOYSA-N 0 0 417.015 4.526 40 0 HJABRN Cc1ccccc1CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C ZINC000224051973 568567782 /nfs/dbraw/zinc/56/77/82/568567782.db2.gz QQJLOIMIDTYLNI-QGZVFWFLSA-N 0 0 400.950 4.523 40 0 HJABRN Cc1ccc(C(=O)Nc2cccc(F)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224052300 568567952 /nfs/dbraw/zinc/56/79/52/568567952.db2.gz NUIHEDKHVSBHSJ-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN CCc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224057249 568568009 /nfs/dbraw/zinc/56/80/09/568568009.db2.gz HWELOFVOJWSIAA-UHFFFAOYSA-N 0 0 424.522 4.619 40 0 HJABRN COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C)cc3C)ccc2C)cc1 ZINC000224056859 568568080 /nfs/dbraw/zinc/56/80/80/568568080.db2.gz ROQUHZOQAIRTRT-UHFFFAOYSA-N 0 0 424.522 4.674 40 0 HJABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000224077045 568568818 /nfs/dbraw/zinc/56/88/18/568568818.db2.gz NRDKPVZYWPZXNB-FQEVSTJZSA-N 0 0 408.586 4.513 40 0 HJABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224077943 568568857 /nfs/dbraw/zinc/56/88/57/568568857.db2.gz JAISXSUHXHLWDL-FQEVSTJZSA-N 0 0 412.599 4.667 40 0 HJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl ZINC000224082251 568569059 /nfs/dbraw/zinc/56/90/59/568569059.db2.gz ZZLDNYHODGWIDH-MRXNPFEDSA-N 0 0 418.940 4.744 40 0 HJABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000224094827 568569578 /nfs/dbraw/zinc/56/95/78/568569578.db2.gz BZTJKYZJNNIACA-HXUWFJFHSA-N 0 0 418.990 4.517 40 0 HJABRN COc1cc(C)c(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c(C)c1 ZINC000224098581 568569670 /nfs/dbraw/zinc/56/96/70/568569670.db2.gz DTQCLHBNYYJCBA-HXUWFJFHSA-N 0 0 415.555 4.817 40 0 HJABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C ZINC000224109128 568570254 /nfs/dbraw/zinc/57/02/54/568570254.db2.gz TVWMINMXEDITNS-FQEVSTJZSA-N 0 0 424.585 4.552 40 0 HJABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1C ZINC000224114281 568570489 /nfs/dbraw/zinc/57/04/89/568570489.db2.gz QUNZNJZQYZBSRF-UHFFFAOYSA-N 0 0 408.523 4.689 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 ZINC000224124094 568570757 /nfs/dbraw/zinc/57/07/57/568570757.db2.gz WDUOXUZSMUKEEI-IBGZPJMESA-N 0 0 422.550 4.620 40 0 HJABRN COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)c1 ZINC000224124437 568570861 /nfs/dbraw/zinc/57/08/61/568570861.db2.gz YGGUIHADJJPWFH-UHFFFAOYSA-N 0 0 407.466 4.852 40 0 HJABRN CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000224152159 568571661 /nfs/dbraw/zinc/57/16/61/568571661.db2.gz RBPSDANVPCDBCH-UHFFFAOYSA-N 0 0 418.877 4.557 40 0 HJABRN CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000224167145 568572169 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ZINC000257283248 568799428 /nfs/dbraw/zinc/79/94/28/568799428.db2.gz OXLMHTONQMUPTD-GSDHBNRESA-N 0 0 422.569 4.650 40 0 HJABRN Cc1noc2nc(C)cc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)c12 ZINC000257282900 568799436 /nfs/dbraw/zinc/79/94/36/568799436.db2.gz OVURFOIYIHEXEJ-HXUWFJFHSA-N 0 0 416.481 4.786 40 0 HJABRN O=C(c1cccc(N2CCCCC2)c1)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000257285812 568800251 /nfs/dbraw/zinc/80/02/51/568800251.db2.gz PIZOIMKIEYUYCK-HSZRJFAPSA-N 0 0 413.525 4.506 40 0 HJABRN COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257297966 568803754 /nfs/dbraw/zinc/80/37/54/568803754.db2.gz RJNUYNWAMYUNLN-OAQYLSRUSA-N 0 0 408.473 4.709 40 0 HJABRN COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(C)nc4)C3)c2)cc1 ZINC000257298333 568803966 /nfs/dbraw/zinc/80/39/66/568803966.db2.gz RLGBVODXYWXBGG-NRFANRHFSA-N 0 0 401.510 4.789 40 0 HJABRN CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)n(C)n1 ZINC000257303224 568805507 /nfs/dbraw/zinc/80/55/07/568805507.db2.gz 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40 0 HJABRN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)CC ZINC000408697316 557714331 /nfs/dbraw/zinc/71/43/31/557714331.db2.gz IXHLRACCNCCREK-UHFFFAOYSA-N 0 0 417.314 4.541 40 0 HJABRN Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2cccc(C)c2)cc1 ZINC000408699841 557718937 /nfs/dbraw/zinc/71/89/37/557718937.db2.gz ZRHITXGWYWSUPT-UHFFFAOYSA-N 0 0 411.461 4.591 40 0 HJABRN Cc1cccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1C ZINC000006860720 557727245 /nfs/dbraw/zinc/72/72/45/557727245.db2.gz YSSVICRMEMZLRK-UHFFFAOYSA-N 0 0 406.873 4.708 40 0 HJABRN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 ZINC000408702653 557727268 /nfs/dbraw/zinc/72/72/68/557727268.db2.gz NEEGBRMQEZJLPE-UHFFFAOYSA-N 0 0 420.962 4.774 40 0 HJABRN CC(C)(C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704497 557729818 /nfs/dbraw/zinc/72/98/18/557729818.db2.gz ONJBFNAHTVQHKP-HXUWFJFHSA-N 0 0 402.947 4.643 40 0 HJABRN CC(C)CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704976 557730634 /nfs/dbraw/zinc/73/06/34/557730634.db2.gz WOOUGKRMBNHRKA-NRFANRHFSA-N 0 0 402.947 4.500 40 0 HJABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3C)c2)c(C)c1 ZINC000006964515 557731360 /nfs/dbraw/zinc/73/13/60/557731360.db2.gz OVONQQDPTGNFQO-UHFFFAOYSA-N 0 0 417.534 4.991 40 0 HJABRN COc1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1OC ZINC000007094374 557735056 /nfs/dbraw/zinc/73/50/56/557735056.db2.gz XRHIDCKYEMQGKT-UHFFFAOYSA-N 0 0 400.327 4.560 40 0 HJABRN CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)CC1 ZINC000408709039 557737066 /nfs/dbraw/zinc/73/70/66/557737066.db2.gz WQNOVLLPPJVRGS-UQPPLGOBSA-N 0 0 421.379 4.523 40 0 HJABRN CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 ZINC000007345301 557739548 /nfs/dbraw/zinc/73/95/48/557739548.db2.gz UARAMHPPPFWWFE-UHFFFAOYSA-N 0 0 414.571 4.547 40 0 HJABRN COc1cc(OC)cc(C(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)c1 ZINC000408713306 557749367 /nfs/dbraw/zinc/74/93/67/557749367.db2.gz RYYSHPHRDBOROT-UHFFFAOYSA-N 0 0 424.522 4.797 40 0 HJABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(C)ccc3C)c2)cc1 ZINC000007608234 557751250 /nfs/dbraw/zinc/75/12/50/557751250.db2.gz HEECRKQDLNFWHN-UHFFFAOYSA-N 0 0 408.523 4.689 40 0 HJABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000008471521 557792103 /nfs/dbraw/zinc/79/21/03/557792103.db2.gz PNAPELHQBQCVDW-UHFFFAOYSA-N 0 0 411.885 4.916 40 0 HJABRN COc1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC000008472168 557792333 /nfs/dbraw/zinc/79/23/33/557792333.db2.gz HMMULPCCJDQLHR-UHFFFAOYSA-N 0 0 411.885 4.916 40 0 HJABRN Cc1nn(-c2ccccn2)c2nc(C3CCN(C(=O)CCC4CCCC4)CC3)ccc12 ZINC000019744703 558265166 /nfs/dbraw/zinc/26/51/66/558265166.db2.gz YTCSKSBKZOKGPC-UHFFFAOYSA-N 0 0 417.557 4.800 40 0 HJABRN Cc1nc([C@@H]2CCCCN2Cc2ccccn2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753749 558273129 /nfs/dbraw/zinc/27/31/29/558273129.db2.gz IAIRICITYLPSCZ-NRFANRHFSA-N 0 0 421.932 4.813 40 0 HJABRN CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccccc2Cl)o1 ZINC000011971113 558304745 /nfs/dbraw/zinc/30/47/45/558304745.db2.gz GEWFXEZVHYJWRW-UHFFFAOYSA-N 0 0 411.918 4.885 40 0 HJABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(Cl)cc1Cl ZINC000019937621 558312483 /nfs/dbraw/zinc/31/24/83/558312483.db2.gz IMPHFKJEKANOMP-UHFFFAOYSA-N 0 0 408.672 4.578 40 0 HJABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000020039740 558325594 /nfs/dbraw/zinc/32/55/94/558325594.db2.gz CCVVFPXQBKXSMD-HXUWFJFHSA-N 0 0 400.906 4.762 40 0 HJABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccccc1C(C)C ZINC000020061673 558329392 /nfs/dbraw/zinc/32/93/92/558329392.db2.gz FPILVHRRIAOKKB-UHFFFAOYSA-N 0 0 414.571 4.935 40 0 HJABRN COc1ccc(/C=C(/C(=O)NCc2ccccc2-n2ccnc2)c2ccccc2)cc1 ZINC000020112374 558336220 /nfs/dbraw/zinc/33/62/20/558336220.db2.gz VFVOMDRSMULXLC-JJIBRWJFSA-N 0 0 409.489 4.738 40 0 HJABRN CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)cc1Br ZINC000020142378 558339068 /nfs/dbraw/zinc/33/90/68/558339068.db2.gz WFIGZOIGESSAQQ-UHFFFAOYSA-N 0 0 416.271 4.852 40 0 HJABRN COc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1-c1ccc(CO)o1 ZINC000020151652 558340949 /nfs/dbraw/zinc/34/09/49/558340949.db2.gz YLHRUSJIFOKFFQ-UHFFFAOYSA-N 0 0 424.522 4.698 40 0 HJABRN COc1ccc(CNc2ncc(-c3ccccn3)c(-c3ccoc3C)n2)cc1OC ZINC000012222860 558356530 /nfs/dbraw/zinc/35/65/30/558356530.db2.gz FIRLDQVTFGWCIP-UHFFFAOYSA-N 0 0 402.454 4.736 40 0 HJABRN Cc1nc([C@@H](Cc2ccsc2)NC(=O)c2c(C)onc2-c2cccnc2)sc1C ZINC000012228165 558357321 /nfs/dbraw/zinc/35/73/21/558357321.db2.gz SLPSOPVFVDEXKB-QGZVFWFLSA-N 0 0 424.551 4.894 40 0 HJABRN CC[C@H](CNC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1)OC ZINC000012231759 558358080 /nfs/dbraw/zinc/35/80/80/558358080.db2.gz MLKJPPHIXXSCIF-LJQANCHMSA-N 0 0 417.496 4.512 40 0 HJABRN C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 ZINC000012239552 558360157 /nfs/dbraw/zinc/36/01/57/558360157.db2.gz XUXWOQFLZLKUOM-KCQAQPDRSA-N 0 0 408.468 4.755 40 0 HJABRN Cc1ccc(CSCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000020452069 558366291 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HJABRN Nc1c(C(=O)NN2CCCCC2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000020530272 558383946 /nfs/dbraw/zinc/38/39/46/558383946.db2.gz HGGRMEFTRHVJNS-UHFFFAOYSA-N 0 0 420.460 4.695 40 0 HJABRN Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1 ZINC000020609989 558389920 /nfs/dbraw/zinc/38/99/20/558389920.db2.gz DJNYTHFPJPGJDF-UHFFFAOYSA-N 0 0 406.873 4.708 40 0 HJABRN CCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)cc1 ZINC000020610193 558390193 /nfs/dbraw/zinc/39/01/93/558390193.db2.gz FIDVLQYGNMYPCF-UHFFFAOYSA-N 0 0 400.482 4.563 40 0 HJABRN CCCCOc1ccc([C@@H]2C(C(=O)OC)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020633492 558395216 /nfs/dbraw/zinc/39/52/16/558395216.db2.gz HRAXPZJSFBELRG-JOCHJYFZSA-N 0 0 421.497 4.686 40 0 HJABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 ZINC000020802766 558415942 /nfs/dbraw/zinc/41/59/42/558415942.db2.gz XBUSCVSGKCGURT-FCHUYYIVSA-N 0 0 419.525 4.506 40 0 HJABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(F)cc2)cc1OCC ZINC000022053880 558460011 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O=S(=O)(Cc1c(Cl)cccc1Cl)NCCSc1ccc(Cl)cc1 ZINC000013679980 558566064 /nfs/dbraw/zinc/56/60/64/558566064.db2.gz FPFRZOIPNJTNGD-UHFFFAOYSA-N 0 0 410.775 4.859 40 0 HJABRN CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000013684612 558568717 /nfs/dbraw/zinc/56/87/17/558568717.db2.gz CTIJWGLESYLGKZ-UHFFFAOYSA-N 0 0 402.494 4.904 40 0 HJABRN O=C(CCSCc1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013684867 558568944 /nfs/dbraw/zinc/56/89/44/558568944.db2.gz YSSKCRUSSLYMHY-UHFFFAOYSA-N 0 0 418.562 4.921 40 0 HJABRN Cc1cc(I)ccc1NC(=O)CCSCc1ccccc1 ZINC000013688063 558570746 /nfs/dbraw/zinc/57/07/46/558570746.db2.gz YBQZQJNHYKGDLO-UHFFFAOYSA-N 0 0 411.308 4.862 40 0 HJABRN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)ccc2C)sc2c1CCCC2 ZINC000013710640 558575886 /nfs/dbraw/zinc/57/58/86/558575886.db2.gz KZOICQUNBYNYDR-HNNXBMFYSA-N 0 0 401.528 4.826 40 0 HJABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000023787698 558575969 /nfs/dbraw/zinc/57/59/69/558575969.db2.gz MMFQLHRVOWZAMH-UHFFFAOYSA-N 0 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401.528 4.826 40 0 HJABRN CSCC[C@@H](NC(=O)c1sc2ccccc2c1Cl)c1nnc2ccccn21 ZINC000015971762 558764711 /nfs/dbraw/zinc/76/47/11/558764711.db2.gz LADQEAUDJWEBON-CYBMUJFWSA-N 0 0 416.959 4.822 40 0 HJABRN CSCC[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1nnc2ccccn21 ZINC000015972700 558764956 /nfs/dbraw/zinc/76/49/56/558764956.db2.gz MMUQQQWKGBQNDD-HXUWFJFHSA-N 0 0 418.522 4.746 40 0 HJABRN CCc1cc(I)ccc1NC(=O)c1ccc(OC)c(Cl)c1 ZINC000016161254 558774602 /nfs/dbraw/zinc/77/46/02/558774602.db2.gz FWHDLWVVSRYSMW-UHFFFAOYSA-N 0 0 415.658 4.768 40 0 HJABRN Cc1cc(C2=N/C(=C\c3cccc(OC(C)C)c3)C(=O)O2)ccc1Br ZINC000016282116 558783349 /nfs/dbraw/zinc/78/33/49/558783349.db2.gz VBTAGAISZFWUEY-WQRHYEAKSA-N 0 0 400.272 4.889 40 0 HJABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1)Nc1cccc(F)c1 ZINC000016399161 558789634 /nfs/dbraw/zinc/78/96/34/558789634.db2.gz OIXJDXYMRROCCN-IYBDPMFKSA-N 0 0 416.472 4.714 40 0 HJABRN O=C(NC[C@@H]1CCC[C@H](CNC(=O)Nc2ccc(F)cc2)C1)Nc1ccc(F)cc1 ZINC000016428376 558791033 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CC(C)(C)NC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CC2)C1 ZINC000019082872 558840495 /nfs/dbraw/zinc/84/04/95/558840495.db2.gz JMNUOPFZTCCTDM-SANMLTNESA-N 0 0 422.544 4.579 40 0 HJABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1OCC ZINC000046619085 558840738 /nfs/dbraw/zinc/84/07/38/558840738.db2.gz RUNKPULGIZHMAG-MRXNPFEDSA-N 0 0 401.503 4.772 40 0 HJABRN O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1Br ZINC000019143231 558846482 /nfs/dbraw/zinc/84/64/82/558846482.db2.gz FLFZGQSHAHIRCW-CQSZACIVSA-N 0 0 422.537 4.987 40 0 HJABRN Cc1ccc(CC(=O)N2CCC(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)cc1 ZINC000019209365 558848050 /nfs/dbraw/zinc/84/80/50/558848050.db2.gz ASUHKAYOHOKAQA-UHFFFAOYSA-N 0 0 414.553 4.919 40 0 HJABRN Cc1noc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209671 558848058 /nfs/dbraw/zinc/84/80/58/558848058.db2.gz WZLOXUNYVLLIHI-OAQYLSRUSA-N 0 0 404.514 4.662 40 0 HJABRN COc1ccccc1C1=NO[C@H](CC2(C(=O)Nc3ccc(C)c(C)c3)CCOCC2)C1 ZINC000019214048 558849460 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40 0 HJABRN O=C(C1CC1)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 ZINC000019294062 558865719 /nfs/dbraw/zinc/86/57/19/558865719.db2.gz FBIAITVIASLSSB-SFHVURJKSA-N 0 0 417.488 4.537 40 0 HJABRN O=C(c1cccnc1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373248 558880341 /nfs/dbraw/zinc/88/03/41/558880341.db2.gz BBIXGEDBDZYDCM-JOCHJYFZSA-N 0 0 422.492 4.655 40 0 HJABRN O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000019400394 558882820 /nfs/dbraw/zinc/88/28/20/558882820.db2.gz PJHFWGMEHOOMOW-GBXCKJPGSA-N 0 0 423.532 4.511 40 0 HJABRN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000019400400 558882921 /nfs/dbraw/zinc/88/29/21/558882921.db2.gz PJHFWGMEHOOMOW-RDPSFJRHSA-N 0 0 423.532 4.511 40 0 HJABRN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000019400397 558882956 /nfs/dbraw/zinc/88/29/56/558882956.db2.gz PJHFWGMEHOOMOW-YKSBVNFPSA-N 0 0 423.532 4.511 40 0 HJABRN O=C(N[C@H](c1ccccn1)C1CCN(Cc2cccc(Cl)c2Cl)CC1)C1CC1 ZINC000019400857 558883352 /nfs/dbraw/zinc/88/33/52/558883352.db2.gz KHEZHXZNJZYTMR-NRFANRHFSA-N 0 0 418.368 4.868 40 0 HJABRN CCOc1cccc(NCc2cc3c(C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 ZINC000019520002 558901035 /nfs/dbraw/zinc/90/10/35/558901035.db2.gz HVRIVCAEQHXXDP-UHFFFAOYSA-N 0 0 408.889 4.686 40 0 HJABRN CCc1cc(C(F)(F)F)n2nc(C3CCN(C(=O)c4csc(C)c4)CC3)cc2n1 ZINC000019522460 558903844 /nfs/dbraw/zinc/90/38/44/558903844.db2.gz UTFBHUQAVGTULK-UHFFFAOYSA-N 0 0 422.476 4.700 40 0 HJABRN CCn1ncc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1C ZINC000019523965 558905277 /nfs/dbraw/zinc/90/52/77/558905277.db2.gz QENZFIVCZRQUHF-FQEVSTJZSA-N 0 0 408.502 4.712 40 0 HJABRN CCn1cc([C@@H](NC(=O)Cc2ccc(OC)cc2)c2ccc(F)cc2)c2ccncc21 ZINC000019524831 558906048 /nfs/dbraw/zinc/90/60/48/558906048.db2.gz WAURZHUPQSHVNZ-VWLOTQADSA-N 0 0 417.484 4.652 40 0 HJABRN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2sc(C)nc2C)n1 ZINC000019525559 558906956 /nfs/dbraw/zinc/90/69/56/558906956.db2.gz XCWIAZRKUXANTR-LJQANCHMSA-N 0 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ZINC000222749337 568525473 /nfs/dbraw/zinc/52/54/73/568525473.db2.gz IWUMDQRRYATDFI-IBGZPJMESA-N 0 0 412.599 4.728 40 0 HJABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222795990 568526683 /nfs/dbraw/zinc/52/66/83/568526683.db2.gz DNGMLLQNJQLVPL-RTBURBONSA-N 0 0 416.472 4.884 40 0 HJABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222834852 568527845 /nfs/dbraw/zinc/52/78/45/568527845.db2.gz NNZRGRPMWLSSLM-OAHLLOKOSA-N 0 0 407.341 4.683 40 0 HJABRN Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl ZINC000222858490 568528722 /nfs/dbraw/zinc/52/87/22/568528722.db2.gz XYXNJIATWMLHNR-ZDUSSCGKSA-N 0 0 420.296 4.778 40 0 HJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000222862422 568528851 /nfs/dbraw/zinc/52/88/51/568528851.db2.gz DZMKMNPLUPXEDY-HNNXBMFYSA-N 0 0 421.368 4.868 40 0 HJABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000222881360 568529409 /nfs/dbraw/zinc/52/94/09/568529409.db2.gz 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CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl ZINC000223037714 568535179 /nfs/dbraw/zinc/53/51/79/568535179.db2.gz LUNDWQZEKRDXNR-IBGZPJMESA-N 0 0 414.977 4.915 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl ZINC000223043464 568535388 /nfs/dbraw/zinc/53/53/88/568535388.db2.gz BBJXVJQYSSJVAA-QGZVFWFLSA-N 0 0 418.940 4.664 40 0 HJABRN CCc1cccc(CC)c1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 ZINC000223073821 568536501 /nfs/dbraw/zinc/53/65/01/568536501.db2.gz AMPNQHJEPDBMDW-UHFFFAOYSA-N 0 0 416.568 4.674 40 0 HJABRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1cccnc1 ZINC000223090195 568537187 /nfs/dbraw/zinc/53/71/87/568537187.db2.gz LQHMRTPWOISNKW-PKTZIBPZSA-N 0 0 417.582 4.881 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C ZINC000223091069 568537204 /nfs/dbraw/zinc/53/72/04/568537204.db2.gz NXGYPQFGQRVIOF-OAQYLSRUSA-N 0 0 424.585 4.831 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000223091979 568537336 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CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000223135680 568539031 /nfs/dbraw/zinc/53/90/31/568539031.db2.gz RTFATHZPUZKORG-NRFANRHFSA-N 0 0 412.599 4.891 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223161847 568539730 /nfs/dbraw/zinc/53/97/30/568539730.db2.gz OIKXISDFYZFHJO-HXUWFJFHSA-N 0 0 400.950 4.605 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223174276 568540040 /nfs/dbraw/zinc/54/00/40/568540040.db2.gz CUDSCEYHPBMMRY-MRXNPFEDSA-N 0 0 421.368 4.870 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000223172758 568540085 /nfs/dbraw/zinc/54/00/85/568540085.db2.gz ROOASSVNXBVFPW-NRFANRHFSA-N 0 0 414.977 4.995 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(Cl)c1Cl ZINC000223177459 568540262 /nfs/dbraw/zinc/54/02/62/568540262.db2.gz JOOOADBPOBWHOX-NSHDSACASA-N 0 0 400.327 4.530 40 0 HJABRN CCc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 ZINC000223228581 568541704 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LUVUJLSGLMZGAK-IBGZPJMESA-N 0 0 412.549 4.654 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223300757 568544502 /nfs/dbraw/zinc/54/45/02/568544502.db2.gz DYJILVUEXRXSQU-QHCPKHFHSA-N 0 0 408.586 4.876 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C ZINC000223312468 568544896 /nfs/dbraw/zinc/54/48/96/568544896.db2.gz ZCPRGDJLFWRTAJ-JOCHJYFZSA-N 0 0 424.585 4.713 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 ZINC000223315273 568545008 /nfs/dbraw/zinc/54/50/08/568545008.db2.gz IIVXIOGHVRKRGY-FQEVSTJZSA-N 0 0 400.950 4.605 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1C[C@@H]1CCCO1 ZINC000223326853 568545221 /nfs/dbraw/zinc/54/52/21/568545221.db2.gz CKRFROWZZMQYFA-ILWGZMRPSA-N 0 0 410.587 4.540 40 0 HJABRN COc1ccc(CCC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C ZINC000223364704 568546577 /nfs/dbraw/zinc/54/65/77/568546577.db2.gz XWOIUUQCMSIVAH-UHFFFAOYSA-N 0 0 407.485 4.971 40 0 HJABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccc(C)c4C)ccc32)cc1 ZINC000223374087 568546842 /nfs/dbraw/zinc/54/68/42/568546842.db2.gz QZTJLOMAJQTYKK-UHFFFAOYSA-N 0 0 420.534 4.616 40 0 HJABRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000223374668 568546899 /nfs/dbraw/zinc/54/68/99/568546899.db2.gz XKTBHVMYDCYANX-UHFFFAOYSA-N 0 0 420.534 4.561 40 0 HJABRN COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1C(C)C ZINC000223384088 568547175 /nfs/dbraw/zinc/54/71/75/568547175.db2.gz BMWIKZBIKMRFLD-CQSZACIVSA-N 0 0 411.951 4.829 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C ZINC000223404044 568547667 /nfs/dbraw/zinc/54/76/67/568547667.db2.gz USZGJCRXFSYPRB-NRFANRHFSA-N 0 0 414.977 4.913 40 0 HJABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000223412619 568547959 /nfs/dbraw/zinc/54/79/59/568547959.db2.gz DLVGFKJUBDYUSA-MLYOZINFSA-N 0 0 418.581 4.580 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccncc1 ZINC000223511624 568550723 /nfs/dbraw/zinc/55/07/23/568550723.db2.gz QJRIWRQOPSZRQA-GOTSBHOMSA-N 0 0 412.518 4.909 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccncc1 ZINC000223511574 568550729 /nfs/dbraw/zinc/55/07/29/568550729.db2.gz QJRIWRQOPSZRQA-DHIUTWEWSA-N 0 0 412.518 4.909 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccncc1 ZINC000223516857 568550786 /nfs/dbraw/zinc/55/07/86/568550786.db2.gz DLAFWCWSRMYRFF-FGZHOGPDSA-N 0 0 403.555 4.566 40 0 HJABRN COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 ZINC000223540474 568551296 /nfs/dbraw/zinc/55/12/96/568551296.db2.gz LPBMJRGXMDHJMS-RUZDIDTESA-N 0 0 420.553 4.792 40 0 HJABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223549265 568551491 /nfs/dbraw/zinc/55/14/91/568551491.db2.gz MILFGLJCPAMCOJ-NRFANRHFSA-N 0 0 424.585 4.565 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223592844 568552693 /nfs/dbraw/zinc/55/26/93/568552693.db2.gz BDLPMDZRLHBOLT-XMMPIXPASA-N 0 0 424.585 4.878 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000223592779 568552704 /nfs/dbraw/zinc/55/27/04/568552704.db2.gz XOEKUBYNSOVFBN-QHCPKHFHSA-N 0 0 410.558 4.569 40 0 HJABRN CCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223594164 568552740 /nfs/dbraw/zinc/55/27/40/568552740.db2.gz FDUYKXRSYPTXRA-LAUBAEHRSA-N 0 0 400.950 4.605 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl ZINC000223606776 568553121 /nfs/dbraw/zinc/55/31/21/568553121.db2.gz SLCKCEKARIDISF-OAQYLSRUSA-N 0 0 418.940 4.745 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C ZINC000223652994 568555042 /nfs/dbraw/zinc/55/50/42/568555042.db2.gz BYLCATKPCAGXLK-HSZRJFAPSA-N 0 0 424.585 4.714 40 0 HJABRN CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC ZINC000223683389 568556045 /nfs/dbraw/zinc/55/60/45/568556045.db2.gz UPDIJOKPSFIWFG-HXUWFJFHSA-N 0 0 421.368 4.870 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C ZINC000223700265 568556609 /nfs/dbraw/zinc/55/66/09/568556609.db2.gz FTLLBWNJMYGOFB-QHCPKHFHSA-N 0 0 424.585 4.714 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 ZINC000223703129 568556765 /nfs/dbraw/zinc/55/67/65/568556765.db2.gz NSYLHTHYZLYMKS-QFIPXVFZSA-N 0 0 412.599 4.811 40 0 HJABRN COc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)c(Cl)c1Cl ZINC000223717530 568557318 /nfs/dbraw/zinc/55/73/18/568557318.db2.gz GKJMVSDVVPMYHU-UHFFFAOYSA-N 0 0 402.343 4.778 40 0 HJABRN COc1cc(C)c(S(=O)(=O)NCCOc2ccccc2C(C)(C)C)cc1C(C)C ZINC000223737880 568557766 /nfs/dbraw/zinc/55/77/66/568557766.db2.gz LUWMIEKACUHCSM-UHFFFAOYSA-N 0 0 419.587 4.782 40 0 HJABRN CCc1cc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)ccc1OC ZINC000223752266 568558111 /nfs/dbraw/zinc/55/81/11/568558111.db2.gz QAUBVNZSOTXWNW-UHFFFAOYSA-N 0 0 411.523 4.871 40 0 HJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000223750928 568558114 /nfs/dbraw/zinc/55/81/14/568558114.db2.gz ZRCSNGSNYYUDPZ-SFHVURJKSA-N 0 0 412.961 4.749 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223767105 568558549 /nfs/dbraw/zinc/55/85/49/568558549.db2.gz KMSHZVDUJHHMRB-SFHVURJKSA-N 0 0 422.956 4.979 40 0 HJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 ZINC000223779631 568558820 /nfs/dbraw/zinc/55/88/20/568558820.db2.gz CFPFICHFOUNUOC-KRWDZBQOSA-N 0 0 418.990 4.684 40 0 HJABRN CCc1ccc(OCC(=O)NCCOc2ccccc2C(C)C)c(Br)c1 ZINC000223781023 568558873 /nfs/dbraw/zinc/55/88/73/568558873.db2.gz DKJCUEVRXHFJAG-UHFFFAOYSA-N 0 0 420.347 4.709 40 0 HJABRN Cc1ccccc1CN(C(=O)Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCC1 ZINC000223790537 568559178 /nfs/dbraw/zinc/55/91/78/568559178.db2.gz RCYGWIDSUCNSAP-GOSISDBHSA-N 0 0 412.961 4.667 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F ZINC000223794676 568559353 /nfs/dbraw/zinc/55/93/53/568559353.db2.gz IWYNDFAPCMTOKK-NRFANRHFSA-N 0 0 418.940 4.745 40 0 HJABRN Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807744 568559616 /nfs/dbraw/zinc/55/96/16/568559616.db2.gz BXCLCMHBCNRDGI-HXUWFJFHSA-N 0 0 424.610 4.872 40 0 HJABRN Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814164 568559768 /nfs/dbraw/zinc/55/97/68/568559768.db2.gz GDRALQGPTQGTJP-GOSISDBHSA-N 0 0 412.961 4.667 40 0 HJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000223826032 568560114 /nfs/dbraw/zinc/56/01/14/568560114.db2.gz GNCQNNXWNAWWEA-SFHVURJKSA-N 0 0 400.950 4.525 40 0 HJABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 ZINC000223852358 568560968 /nfs/dbraw/zinc/56/09/68/568560968.db2.gz TUSGCCXWPSTTAG-FCHUYYIVSA-N 0 0 404.539 4.881 40 0 HJABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 ZINC000223852238 568560988 /nfs/dbraw/zinc/56/09/88/568560988.db2.gz TUSGCCXWPSTTAG-VXKWHMMOSA-N 0 0 404.539 4.881 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223864576 568561286 /nfs/dbraw/zinc/56/12/86/568561286.db2.gz FQGRFIDNSZRSFR-INIZCTEOSA-N 0 0 421.368 4.706 40 0 HJABRN CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1 ZINC000223886065 568561960 /nfs/dbraw/zinc/56/19/60/568561960.db2.gz YEJXKVUISIFMGL-VXKWHMMOSA-N 0 0 405.571 4.707 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223907956 568562533 /nfs/dbraw/zinc/56/25/33/568562533.db2.gz LSGWKLBLVPEZKC-INIZCTEOSA-N 0 0 421.368 4.706 40 0 HJABRN CC(C)Oc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000223925850 568563121 /nfs/dbraw/zinc/56/31/21/568563121.db2.gz PNCCFBDTYXIWTO-UHFFFAOYSA-N 0 0 410.495 4.527 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 ZINC000223924799 568563147 /nfs/dbraw/zinc/56/31/47/568563147.db2.gz INCPTBFZIFOCTH-SFHVURJKSA-N 0 0 408.523 4.595 40 0 HJABRN Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 ZINC000223938235 568563702 /nfs/dbraw/zinc/56/37/02/568563702.db2.gz UQYJFAMQCIVBGE-UHFFFAOYSA-N 0 0 408.523 4.973 40 0 HJABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000223941477 568563804 /nfs/dbraw/zinc/56/38/04/568563804.db2.gz PYZOYZGJIASGSO-HSZRJFAPSA-N 0 0 420.534 4.603 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2C)cc1C ZINC000223947436 568564064 /nfs/dbraw/zinc/56/40/64/568564064.db2.gz PMWGHPFWVQLHEL-UHFFFAOYSA-N 0 0 412.555 4.643 40 0 HJABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCC3=CCCCC3)ccc2C)c1 ZINC000223951809 568564252 /nfs/dbraw/zinc/56/42/52/568564252.db2.gz CQMSYDGZFBPSSA-UHFFFAOYSA-N 0 0 412.555 4.643 40 0 HJABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 ZINC000223957039 568564567 /nfs/dbraw/zinc/56/45/67/568564567.db2.gz YJEDEUKFRXASJU-JOCHJYFZSA-N 0 0 408.523 4.677 40 0 HJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 ZINC000223962358 568564636 /nfs/dbraw/zinc/56/46/36/568564636.db2.gz USERKWVDGATFPG-VXKWHMMOSA-N 0 0 419.554 4.600 40 0 HJABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 ZINC000223982651 568565277 /nfs/dbraw/zinc/56/52/77/568565277.db2.gz TWEOTEFTOPBFRH-FCHUYYIVSA-N 0 0 419.554 4.600 40 0 HJABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1C ZINC000224000217 568565798 /nfs/dbraw/zinc/56/57/98/568565798.db2.gz RMVDUJDRWDIOKT-QFIPXVFZSA-N 0 0 422.550 4.985 40 0 HJABRN Cc1cc(C(=O)Nc2ccccc2F)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224004916 568565979 /nfs/dbraw/zinc/56/59/79/568565979.db2.gz ZATWZGOEUPLOKZ-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN COC(=O)c1cc2cc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)ccc2s1 ZINC000224059357 568568187 /nfs/dbraw/zinc/56/81/87/568568187.db2.gz MDPOLIDYVCIZGG-UHFFFAOYSA-N 0 0 411.870 4.779 40 0 HJABRN Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224077997 568568835 /nfs/dbraw/zinc/56/88/35/568568835.db2.gz JAISXSUHXHLWDL-HXUWFJFHSA-N 0 0 412.599 4.667 40 0 HJABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(C(C)C)cc3)c2)c1 ZINC000224077949 568568836 /nfs/dbraw/zinc/56/88/36/568568836.db2.gz FZNHNNBOPLSGFU-UHFFFAOYSA-N 0 0 422.550 4.849 40 0 HJABRN CCCC[C@H](CC)CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000224083063 568569091 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402.281 4.648 40 0 HJABRN Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000164895990 569355280 /nfs/dbraw/zinc/35/52/80/569355280.db2.gz MSPLPWVZQUGRBZ-UHFFFAOYSA-N 0 0 422.550 4.830 40 0 HJABRN COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1OC ZINC000210199201 569355860 /nfs/dbraw/zinc/35/58/60/569355860.db2.gz ILBPFMWVLZSHOM-OQLLNIDSSA-N 0 0 405.859 4.607 40 0 HJABRN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(OCC)c1 ZINC000214340932 569356320 /nfs/dbraw/zinc/35/63/20/569356320.db2.gz NZIDLUAOADUVFO-YBFXNURJSA-N 0 0 401.459 4.860 40 0 HJABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1Br ZINC000214324944 569356336 /nfs/dbraw/zinc/35/63/36/569356336.db2.gz OOQKBTHZKQYXDX-CXUHLZMHSA-N 0 0 422.275 4.833 40 0 HJABRN CCOC(=O)/C=C/c1cc(Br)c(OCc2cccc(C)c2)c(OC)c1 ZINC000062715482 569388374 /nfs/dbraw/zinc/38/83/74/569388374.db2.gz IAPWUVVLYDPPOA-CMDGGOBGSA-N 0 0 405.288 4.921 40 0 HJABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000009108992 569391571 /nfs/dbraw/zinc/39/15/71/569391571.db2.gz MUTCSHDRYWFKDV-GVAUOCQISA-N 0 0 420.468 4.891 40 0 HJABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C1=O ZINC000009319895 569392219 /nfs/dbraw/zinc/39/22/19/569392219.db2.gz BSNNENDIYSJYIY-UFYCRDLUSA-N 0 0 424.909 4.761 40 0 HJABRN CC(C)c1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(Nc2ccccc2)n1 ZINC000329022111 571306390 /nfs/dbraw/zinc/30/63/90/571306390.db2.gz OKKKTTBUNUKHSJ-UHFFFAOYSA-N 0 0 402.542 5.134 40 0 HJABRN CCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C ZINC000035442825 291275214 /nfs/dbraw/zinc/27/52/14/291275214.db2.gz YRTLSSRRWILHKA-LNLFQRSKSA-N 0 0 414.525 4.592 40 0 biogenic,in-vitro HJABRN COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)N1CCN(c3ccc(F)cc3)CC1)CC2 ZINC000003841690 291276645 /nfs/dbraw/zinc/27/66/45/291276645.db2.gz PZYVISGTACAYFQ-AZUAARDMSA-N 0 0 424.560 4.541 40 0 biogenic,in-vitro HJABRN O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007367001 132324197 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CCSc1nnc(NC(=O)COc2ccc(C(C)C)cc2Br)s1 ZINC000040992944 521793717 /nfs/dbraw/zinc/79/37/17/521793717.db2.gz FXYJBVHLTJGJET-UHFFFAOYSA-N 0 0 416.366 4.554 40 0 HJABRN CCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040388364 522716064 /nfs/dbraw/zinc/71/60/64/522716064.db2.gz CGVGSAQYWHRPKT-TXPKVOOTSA-N 0 0 401.514 4.666 40 0 HJABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000020144759 523134965 /nfs/dbraw/zinc/13/49/65/523134965.db2.gz RRKZOTHOSSBEGS-UHFFFAOYSA-N 0 0 415.873 4.897 40 0 HJABRN COc1ccc(C=Cc2ccnc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c23)cc1 ZINC000040388443 523405212 /nfs/dbraw/zinc/40/52/12/523405212.db2.gz JGVLBXRPZXHJED-JCVNQNCUSA-N 0 0 410.477 4.580 40 0 HJABRN CN(C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)C1CCCC1 ZINC000020106101 523937728 /nfs/dbraw/zinc/93/77/28/523937728.db2.gz PGLKMKNQQFWLSM-DEOSSOPVSA-N 0 0 408.567 4.518 40 0 HJABRN Cc1cc(C)c(C)c(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc32)c1C ZINC000072414339 524252041 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Cc1cc(NC(=S)NCCCN2c3ccccc3C[C@@H]2C)ccc1Br ZINC000225739848 525262800 /nfs/dbraw/zinc/26/28/00/525262800.db2.gz GZANLAPCDKLAOS-HNNXBMFYSA-N 0 0 418.404 4.885 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3OC(C)C)c2)cc1 ZINC000032288024 525304949 /nfs/dbraw/zinc/30/49/49/525304949.db2.gz MDNKWBGCPKELJZ-UHFFFAOYSA-N 0 0 424.522 4.835 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C(C)C)C(C)C)cc2Cl)cc1 ZINC000044841137 525596602 /nfs/dbraw/zinc/59/66/02/525596602.db2.gz CZBQMBSKUFDNNH-UHFFFAOYSA-N 0 0 422.978 4.860 40 0 HJABRN COc1cccc(-c2cncc([C@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)n2)c1 ZINC000072359839 525717184 /nfs/dbraw/zinc/71/71/84/525717184.db2.gz JRNDBXIZVDCXGO-FQEVSTJZSA-N 0 0 419.500 4.630 40 0 HJABRN C[C@@H](Nc1ncc(-c2cnccn2)c(-c2cccs2)n1)c1ccc2c(c1)OCCO2 ZINC000072338763 525728714 /nfs/dbraw/zinc/72/87/14/525728714.db2.gz ANFRUWMPXJOIFQ-CQSZACIVSA-N 0 0 417.494 4.606 40 0 HJABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000044900446 525940244 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Cc1nc(-c2cccnc2)sc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000020030102 526611736 /nfs/dbraw/zinc/61/17/36/526611736.db2.gz FKRWAXRCPFBSNI-NSHDSACASA-N 0 0 402.317 4.767 40 0 HJABRN O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1Cl ZINC000225818775 526643601 /nfs/dbraw/zinc/64/36/01/526643601.db2.gz BVFGRTUUJOETQP-UHFFFAOYSA-N 0 0 406.667 4.724 40 0 HJABRN O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccc(Cl)cc1 ZINC000225818815 526643998 /nfs/dbraw/zinc/64/39/98/526643998.db2.gz GAGSKXUQJIRYOV-UHFFFAOYSA-N 0 0 406.667 4.724 40 0 HJABRN O=C(COc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359480 526982740 /nfs/dbraw/zinc/98/27/40/526982740.db2.gz WQDLCKLONAXIMA-SFHVURJKSA-N 0 0 407.901 4.582 40 0 HJABRN O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1Br ZINC000033438908 527244616 /nfs/dbraw/zinc/24/46/16/527244616.db2.gz IHAZMJVJSJIDFN-UHFFFAOYSA-N 0 0 414.630 4.922 40 0 HJABRN O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccc(Br)cc1 ZINC000028305909 527491935 /nfs/dbraw/zinc/49/19/35/527491935.db2.gz BWIWUJMATDHKJO-UHFFFAOYSA-N 0 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40 0 HJABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000222940560 568531868 /nfs/dbraw/zinc/53/18/68/568531868.db2.gz QKLCGMFVFXYRJA-JOCHJYFZSA-N 0 0 414.977 4.647 40 0 HJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000222945067 568531981 /nfs/dbraw/zinc/53/19/81/568531981.db2.gz SJXUBMSOCHWDKI-HNNXBMFYSA-N 0 0 421.368 4.868 40 0 HJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OC)cc1 ZINC000222977257 568532887 /nfs/dbraw/zinc/53/28/87/568532887.db2.gz OSXMSDKKTPMPPF-FCHUYYIVSA-N 0 0 406.555 4.654 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222994356 568533621 /nfs/dbraw/zinc/53/36/21/568533621.db2.gz YLVAJIFRHSHYFO-MRXNPFEDSA-N 0 0 421.368 4.870 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000222998089 568533764 /nfs/dbraw/zinc/53/37/64/568533764.db2.gz CRSBXFBKTCQAFI-FQEVSTJZSA-N 0 0 412.599 4.811 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000223024823 568534646 /nfs/dbraw/zinc/53/46/46/568534646.db2.gz VHZIKNGIUZXWHI-LJQANCHMSA-N 0 0 405.922 4.918 40 0 HJABRN COCc1nn2c(ncc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000223060803 568536190 /nfs/dbraw/zinc/53/61/90/568536190.db2.gz ZJSVXTXKCIZWFG-WWMYMODYSA-N 0 0 416.525 4.855 40 0 HJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1C ZINC000223083662 568536902 /nfs/dbraw/zinc/53/69/02/568536902.db2.gz XBOCXIAGXUFMQW-ROUUACIJSA-N 0 0 400.950 4.523 40 0 HJABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2Cl)c1 ZINC000223093599 568537334 /nfs/dbraw/zinc/53/73/34/568537334.db2.gz CFWCDVZFEGERFK-MOSHPQCFSA-N 0 0 410.926 4.797 40 0 HJABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 ZINC000223096624 568537402 /nfs/dbraw/zinc/53/74/02/568537402.db2.gz SKZKORFBMMHDTP-IBGZPJMESA-N 0 0 412.599 4.543 40 0 HJABRN Cc1cc(Cl)ccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000223099825 568537573 /nfs/dbraw/zinc/53/75/73/568537573.db2.gz SDPUOOVOSJUTFA-UHFFFAOYSA-N 0 0 417.690 4.534 40 0 HJABRN C[C@@H]1Cc2cc(Br)cc3c2n1cc(C(=O)Nc1ccc(Cl)cc1)c3=O ZINC000223104200 568537711 /nfs/dbraw/zinc/53/77/11/568537711.db2.gz HPRGMJXAVWKAES-SNVBAGLBSA-N 0 0 417.690 4.787 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1C1CCCCC1 ZINC000223112188 568537895 /nfs/dbraw/zinc/53/78/95/568537895.db2.gz XRFCSBQCMUUQKI-PKTZIBPZSA-N 0 0 417.582 4.632 40 0 HJABRN CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223130529 568538781 /nfs/dbraw/zinc/53/87/81/568538781.db2.gz CSPLTPKPIWSTIP-QFIPXVFZSA-N 0 0 414.977 4.708 40 0 HJABRN COc1ccc(-c2ncc(C(=O)Nc3ccc(Br)cc3F)c(C)n2)cc1 ZINC000223142121 568539335 /nfs/dbraw/zinc/53/93/35/568539335.db2.gz FPSAMFAOBMVFOQ-UHFFFAOYSA-N 0 0 416.250 4.615 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223154022 568539735 /nfs/dbraw/zinc/53/97/35/568539735.db2.gz DFGMBVFWVHCQIB-FQEVSTJZSA-N 0 0 418.990 4.684 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl ZINC000223178152 568540228 /nfs/dbraw/zinc/54/02/28/568540228.db2.gz LNLBLQHKITXAQB-FQEVSTJZSA-N 0 0 418.940 4.744 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000223177699 568540234 /nfs/dbraw/zinc/54/02/34/568540234.db2.gz HAVBZHMYFUFCQB-FQEVSTJZSA-N 0 0 400.950 4.605 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000223177610 568540238 /nfs/dbraw/zinc/54/02/38/568540238.db2.gz OWTIDSOTCHOEPV-HXUWFJFHSA-N 0 0 400.950 4.605 40 0 HJABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000223188437 568540538 /nfs/dbraw/zinc/54/05/38/568540538.db2.gz QTSWFQFPIFPHNV-IQJJTXKVSA-N 0 0 402.494 4.853 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223192093 568540679 /nfs/dbraw/zinc/54/06/79/568540679.db2.gz ZAKZIGYSSCGUHG-IBGZPJMESA-N 0 0 414.977 4.833 40 0 HJABRN CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223204564 568541074 /nfs/dbraw/zinc/54/10/74/568541074.db2.gz WZADDWCJUBJNNI-QHCPKHFHSA-N 0 0 412.549 4.584 40 0 HJABRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc(C)c1Br ZINC000223205116 568541094 /nfs/dbraw/zinc/54/10/94/568541094.db2.gz YJQZOIGPFBQCKO-HNNXBMFYSA-N 0 0 402.332 4.811 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223237984 568542181 /nfs/dbraw/zinc/54/21/81/568542181.db2.gz LSSSGYOOYKLYCB-IBGZPJMESA-N 0 0 414.977 4.833 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 ZINC000223240688 568542305 /nfs/dbraw/zinc/54/23/05/568542305.db2.gz GIFWRHGKLPOBKN-SFHVURJKSA-N 0 0 416.562 4.642 40 0 HJABRN CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223258448 568542833 /nfs/dbraw/zinc/54/28/33/568542833.db2.gz QRZKWEJXDPKIOP-QHCPKHFHSA-N 0 0 424.585 4.658 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223298963 568544388 /nfs/dbraw/zinc/54/43/88/568544388.db2.gz NYBJEUODQRQMFK-QHCPKHFHSA-N 0 0 424.585 4.713 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223314141 568544982 /nfs/dbraw/zinc/54/49/82/568544982.db2.gz ROFJDVRYWFQFBM-QHCPKHFHSA-N 0 0 408.586 4.876 40 0 HJABRN Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 ZINC000223322154 568545207 /nfs/dbraw/zinc/54/52/07/568545207.db2.gz MQVJDJWZRIYNRY-BULFRSBZSA-N 0 0 423.513 4.632 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1ccco1 ZINC000223331571 568545456 /nfs/dbraw/zinc/54/54/56/568545456.db2.gz KAWGUNJNCRBCFQ-CVEARBPZSA-N 0 0 420.357 4.671 40 0 HJABRN Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223356274 568546309 /nfs/dbraw/zinc/54/63/09/568546309.db2.gz KBVGLQMBPINUDM-FGZHOGPDSA-N 0 0 418.497 4.777 40 0 HJABRN Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223356132 568546367 /nfs/dbraw/zinc/54/63/67/568546367.db2.gz DERUOKWZBMAKRP-FCHUYYIVSA-N 0 0 418.497 4.777 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223360925 568546473 /nfs/dbraw/zinc/54/64/73/568546473.db2.gz MLBIBSMZWQNJBI-FQEVSTJZSA-N 0 0 400.950 4.605 40 0 HJABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000223412565 568548016 /nfs/dbraw/zinc/54/80/16/568548016.db2.gz DLVGFKJUBDYUSA-MUNMYPBESA-N 0 0 418.581 4.580 40 0 HJABRN CCC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223416835 568548265 /nfs/dbraw/zinc/54/82/65/568548265.db2.gz BBZPVMAAKXAPBU-CYBMUJFWSA-N 0 0 410.923 4.528 40 0 HJABRN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223417496 568548301 /nfs/dbraw/zinc/54/83/01/568548301.db2.gz RVUSRTZKKYHUDH-DHIUTWEWSA-N 0 0 420.582 4.701 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223440602 568548941 /nfs/dbraw/zinc/54/89/41/568548941.db2.gz CAJDIFGRYUWUHQ-QFIPXVFZSA-N 0 0 412.549 4.707 40 0 HJABRN Cc1ccccc1-c1noc(CN(C)C(=O)CSCc2ccc(Cl)cc2F)n1 ZINC000223445766 568549048 /nfs/dbraw/zinc/54/90/48/568549048.db2.gz MMYGJKJZDWBEQV-UHFFFAOYSA-N 0 0 419.909 4.729 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223448627 568549184 /nfs/dbraw/zinc/54/91/84/568549184.db2.gz IJIRUKGVPFRABZ-JOCHJYFZSA-N 0 0 412.549 4.707 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1cccnc1 ZINC000223455680 568549419 /nfs/dbraw/zinc/54/94/19/568549419.db2.gz AEECLDBGRANCET-VXKWHMMOSA-N 0 0 403.555 4.566 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccccn1 ZINC000223557800 568551732 /nfs/dbraw/zinc/55/17/32/568551732.db2.gz CRPYNZXINCRYPS-YADHBBJMSA-N 0 0 403.555 4.566 40 0 HJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2cccc3c2CCCC3)CC1 ZINC000223567115 568551992 /nfs/dbraw/zinc/55/19/92/568551992.db2.gz NJHQGYPKECPGPE-GOSISDBHSA-N 0 0 412.961 4.643 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000223601504 568552953 /nfs/dbraw/zinc/55/29/53/568552953.db2.gz HBVALXLBHVTIMH-JOCHJYFZSA-N 0 0 414.977 4.996 40 0 HJABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC(C)C)cc2)c1 ZINC000223619465 568553447 /nfs/dbraw/zinc/55/34/47/568553447.db2.gz XGUZNDTYQIEZIA-JCMHNJIXSA-N 0 0 404.466 4.785 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223621343 568553600 /nfs/dbraw/zinc/55/36/00/568553600.db2.gz WRCGNTPLNVCYSR-FQEVSTJZSA-N 0 0 408.586 4.779 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223640193 568554441 /nfs/dbraw/zinc/55/44/41/568554441.db2.gz YZVJHBRPOXBMHF-KRWDZBQOSA-N 0 0 418.990 4.684 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(CC)cc1 ZINC000223643773 568554731 /nfs/dbraw/zinc/55/47/31/568554731.db2.gz VKFRIYHXMSXBSJ-DEOSSOPVSA-N 0 0 424.585 4.660 40 0 HJABRN CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC ZINC000223683325 568556037 /nfs/dbraw/zinc/55/60/37/568556037.db2.gz UPDIJOKPSFIWFG-FQEVSTJZSA-N 0 0 421.368 4.870 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000223686721 568556239 /nfs/dbraw/zinc/55/62/39/568556239.db2.gz WAPWANLQAOSIAM-XMMPIXPASA-N 0 0 424.585 4.714 40 0 HJABRN Cc1ccccc1CSCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 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Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC000019568718 558927699 /nfs/dbraw/zinc/92/76/99/558927699.db2.gz XYHPCJBTSKKWDN-CQSZACIVSA-N 0 0 421.394 4.638 40 0 HJABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000019568817 558927928 /nfs/dbraw/zinc/92/79/28/558927928.db2.gz ABTZKAHFAANAKR-GFCCVEGCSA-N 0 0 407.367 4.709 40 0 HJABRN COc1ccc(OC)c(CN2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)c1 ZINC000019574859 558932418 /nfs/dbraw/zinc/93/24/18/558932418.db2.gz ADOTZEHONBSLPV-OMWUSAIZSA-N 0 0 424.467 4.545 40 0 HJABRN C[C@H](C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1)c1ccccc1 ZINC000019574988 558932595 /nfs/dbraw/zinc/93/25/95/558932595.db2.gz NFQWHTRZMQWNRJ-ZRGWGRIASA-N 0 0 420.479 4.700 40 0 HJABRN Cc1nn([C@H](C)CC(=O)N2CCC[C@H](COc3ccccc3F)C2)c(C)c1Cl ZINC000019577514 558933368 /nfs/dbraw/zinc/93/33/68/558933368.db2.gz PANSGIVXJFBHKM-PBHICJAKSA-N 0 0 407.917 4.561 40 0 HJABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)C1 ZINC000019580146 558935824 /nfs/dbraw/zinc/93/58/24/558935824.db2.gz MJSBETOJTGUPFC-RUZDIDTESA-N 0 0 418.562 4.578 40 0 HJABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC000019591201 558941506 /nfs/dbraw/zinc/94/15/06/558941506.db2.gz QCXXRYHEBKKIMY-VWLOTQADSA-N 0 0 418.562 4.626 40 0 HJABRN Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000072345142 558941627 /nfs/dbraw/zinc/94/16/27/558941627.db2.gz UFYAFHFZHSSJTK-RDPSFJRHSA-N 0 0 418.581 4.558 40 0 HJABRN CN(C)C(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C2CCC2)CC1 ZINC000072345202 558941676 /nfs/dbraw/zinc/94/16/76/558941676.db2.gz UYOYJYMTRTVHAF-UHFFFAOYSA-N 0 0 422.544 4.532 40 0 HJABRN O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072349031 558945975 /nfs/dbraw/zinc/94/59/75/558945975.db2.gz YTISWMGEODEGRR-HSZRJFAPSA-N 0 0 400.522 4.580 40 0 HJABRN COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)c1 ZINC000072349589 558946511 /nfs/dbraw/zinc/94/65/11/558946511.db2.gz FBSWADCSNUMRBR-HXUWFJFHSA-N 0 0 404.485 4.845 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000072349555 558946517 /nfs/dbraw/zinc/94/65/17/558946517.db2.gz SNJNYKYMFFMUNW-HXUWFJFHSA-N 0 0 404.485 4.845 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 ZINC000072349579 558946541 /nfs/dbraw/zinc/94/65/41/558946541.db2.gz WREOLNKJABCJLR-NRFANRHFSA-N 0 0 418.512 4.769 40 0 HJABRN Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccc(Nc4ccc(F)cn4)cn3)c2c1 ZINC000072353248 558950183 /nfs/dbraw/zinc/95/01/83/558950183.db2.gz YRDSTOGFKNAYQM-HXUWFJFHSA-N 0 0 416.460 4.521 40 0 HJABRN Cc1ncsc1C(=O)N1CCC[C@H](c2cc(Cc3ccccc3F)cc(C)n2)C1 ZINC000072354041 558951399 /nfs/dbraw/zinc/95/13/99/558951399.db2.gz USIPSORLJWLGID-IBGZPJMESA-N 0 0 409.530 4.905 40 0 HJABRN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356467 558953272 /nfs/dbraw/zinc/95/32/72/558953272.db2.gz SUJUVRBWMCYHBC-GOSISDBHSA-N 0 0 400.457 4.784 40 0 HJABRN O=C(CCOc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072358272 558954070 /nfs/dbraw/zinc/95/40/70/558954070.db2.gz FLPTUQOPEVXXMW-XMMPIXPASA-N 0 0 404.485 4.944 40 0 HJABRN Cc1ccnn1Cc1cc(C(=O)Nc2ccc3nc(C)c(C)nc3c2)c2ccccc2n1 ZINC000019664508 558955084 /nfs/dbraw/zinc/95/50/84/558955084.db2.gz GBBMRCMFYUJDAZ-UHFFFAOYSA-N 0 0 422.492 4.600 40 0 HJABRN CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)Nc3ccccc3OCc3ccccn3)c2C1 ZINC000019666201 558956075 /nfs/dbraw/zinc/95/60/75/558956075.db2.gz HURWYDZNMLDCBV-INIZCTEOSA-N 0 0 404.514 4.787 40 0 HJABRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000019666523 558956218 /nfs/dbraw/zinc/95/62/18/558956218.db2.gz WYQMXZCJGAQARZ-UHFFFAOYSA-N 0 0 421.460 4.619 40 0 HJABRN O=c1c(C[NH+]2CCCCC2)c(-c2ccccc2)[n-]n1-c1ccc(Cl)c(Cl)c1 ZINC000019690856 558960367 /nfs/dbraw/zinc/96/03/67/558960367.db2.gz GUJOXVGJVIOLRP-QGZVFWFLSA-N 0 0 402.325 4.846 40 0 HJABRN COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C(\Cl)c1ccc2ccccc2c1 ZINC000019691795 558961081 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HJABRN Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C(C)C)CC2)c1 ZINC000019700394 558966860 /nfs/dbraw/zinc/96/68/60/558966860.db2.gz LFLFPGGJQWHIBL-UHFFFAOYSA-N 0 0 406.570 4.558 40 0 HJABRN FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCCN3Cc3ccccn3)[nH]n2)c1 ZINC000019703691 558967620 /nfs/dbraw/zinc/96/76/20/558967620.db2.gz NGBWHQAWJNXYNW-NRFANRHFSA-N 0 0 416.447 4.782 40 0 HJABRN Clc1cc2c(cc1CN1CCCC[C@@H]1c1nnc(-c3ccsc3)o1)OCO2 ZINC000072390156 558970463 /nfs/dbraw/zinc/97/04/63/558970463.db2.gz VGHVLLPQXHFUAP-OAHLLOKOSA-N 0 0 403.891 4.907 40 0 HJABRN O=S(=O)(c1ccccc1)N1CCc2nc(-c3cccc(C(F)(F)F)c3)sc2C1 ZINC000072391982 558971700 /nfs/dbraw/zinc/97/17/00/558971700.db2.gz NOWYMMJAEHRNIR-UHFFFAOYSA-N 0 0 424.469 4.576 40 0 HJABRN C[C@H]1CCCN(c2ncc(CN3CCc4nc(-c5cccc(F)c5)sc4C3)cn2)C1 ZINC000072392042 558971900 /nfs/dbraw/zinc/97/19/00/558971900.db2.gz OCGHULCGTPUGJQ-INIZCTEOSA-N 0 0 423.561 4.534 40 0 HJABRN Cc1cc(C)c2nc(C)c(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)cc2c1 ZINC000019715330 558976099 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CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C ZINC000223237712 568542093 /nfs/dbraw/zinc/54/20/93/568542093.db2.gz FEBZJZVHBXJRMZ-SFHVURJKSA-N 0 0 400.950 4.525 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223256121 568542848 /nfs/dbraw/zinc/54/28/48/568542848.db2.gz MBFAUOJRESIJLX-QHCPKHFHSA-N 0 0 408.586 4.876 40 0 HJABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223259289 568543017 /nfs/dbraw/zinc/54/30/17/568543017.db2.gz KELSTUSZOQEPSN-HSZRJFAPSA-N 0 0 403.522 4.862 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223275409 568543783 /nfs/dbraw/zinc/54/37/83/568543783.db2.gz XSPTZNJQAOIASG-HXUWFJFHSA-N 0 0 421.368 4.706 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl ZINC000223313054 568544898 /nfs/dbraw/zinc/54/48/98/568544898.db2.gz RNXJXFMHBRXLEI-OAQYLSRUSA-N 0 0 414.977 4.913 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000223317865 568545029 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HJABRN O=C(CSCc1ccc(Br)cc1)NCCOc1ccccc1Cl ZINC000223453490 568549303 /nfs/dbraw/zinc/54/93/03/568549303.db2.gz AJNTYQVJUVEVEW-UHFFFAOYSA-N 0 0 414.752 4.531 40 0 HJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C(C)C ZINC000223456917 568549427 /nfs/dbraw/zinc/54/94/27/568549427.db2.gz QAWFDJCIHSGAQX-FCHUYYIVSA-N 0 0 405.571 4.649 40 0 HJABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223482162 568550118 /nfs/dbraw/zinc/55/01/18/568550118.db2.gz NBHOTAUKLGQSCR-HSZRJFAPSA-N 0 0 408.473 4.605 40 0 HJABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C(C)C ZINC000223492778 568550377 /nfs/dbraw/zinc/55/03/77/568550377.db2.gz OYQUTADMCCWHBY-VXKWHMMOSA-N 0 0 405.571 4.649 40 0 HJABRN CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000223495018 568550440 /nfs/dbraw/zinc/55/04/40/568550440.db2.gz OPEHLDGDKBXAOM-LEYFIJQKSA-N 0 0 402.494 4.935 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccncc1 ZINC000223517006 568550777 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CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC ZINC000223552603 568551592 /nfs/dbraw/zinc/55/15/92/568551592.db2.gz LOTUWZSRZQMOMA-XMMPIXPASA-N 0 0 410.558 4.872 40 0 HJABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCCC(C)C)c2ccccc2)cc1 ZINC000223557235 568551682 /nfs/dbraw/zinc/55/16/82/568551682.db2.gz HJFCXKJLINPBCN-HSZRJFAPSA-N 0 0 410.558 4.583 40 0 HJABRN Cc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)c(C)c1 ZINC000223578228 568552163 /nfs/dbraw/zinc/55/21/63/568552163.db2.gz JJRYMAWQDOTYOA-UHFFFAOYSA-N 0 0 413.543 4.606 40 0 HJABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1F ZINC000223598996 568552855 /nfs/dbraw/zinc/55/28/55/568552855.db2.gz AJKWUJVLNDIVAE-JOCHJYFZSA-N 0 0 401.547 4.912 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223629622 568553985 /nfs/dbraw/zinc/55/39/85/568553985.db2.gz OCBLTYKQPRTOQK-QHCPKHFHSA-N 0 0 424.585 4.577 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000223638588 568554433 /nfs/dbraw/zinc/55/44/33/568554433.db2.gz WNPQQPHQVBLIDM-DEOSSOPVSA-N 0 0 408.586 4.960 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000223640128 568554451 /nfs/dbraw/zinc/55/44/51/568554451.db2.gz VVRBFZZNIZFSCL-DEOSSOPVSA-N 0 0 424.585 4.878 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 ZINC000223638442 568554480 /nfs/dbraw/zinc/55/44/80/568554480.db2.gz BJPNAEHDIFUSKW-QFIPXVFZSA-N 0 0 414.977 4.915 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 ZINC000223641597 568554606 /nfs/dbraw/zinc/55/46/06/568554606.db2.gz BSJYLTBFPDZBLY-XMMPIXPASA-N 0 0 408.586 4.878 40 0 HJABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)C(C)C ZINC000223645010 568554717 /nfs/dbraw/zinc/55/47/17/568554717.db2.gz SEKQOTFACGTLFX-UHFFFAOYSA-N 0 0 406.573 4.927 40 0 HJABRN Cc1cccc(C)c1N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000223690777 568556316 /nfs/dbraw/zinc/55/63/16/568556316.db2.gz VONPSPZBSYBETO-UHFFFAOYSA-N 0 0 422.506 4.608 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 ZINC000223690851 568556333 /nfs/dbraw/zinc/55/63/33/568556333.db2.gz QLWABWTWXZYCDA-DEOSSOPVSA-N 0 0 424.585 4.660 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000223700782 568556639 /nfs/dbraw/zinc/55/66/39/568556639.db2.gz VNRZKBWSGFKFDM-JOCHJYFZSA-N 0 0 414.977 4.915 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223718850 568557264 /nfs/dbraw/zinc/55/72/64/568557264.db2.gz OCRQVGZPYRYYNB-HSZRJFAPSA-N 0 0 408.586 4.611 40 0 HJABRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(SC)cc2)c(Cl)c1Cl ZINC000223718885 568557304 /nfs/dbraw/zinc/55/73/04/568557304.db2.gz DVNDBANHTJZAHJ-UHFFFAOYSA-N 0 0 406.356 4.545 40 0 HJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223729131 568557574 /nfs/dbraw/zinc/55/75/74/568557574.db2.gz JYRUHUQEKAEBHJ-QGZVFWFLSA-N 0 0 418.990 4.684 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C ZINC000223745142 568557922 /nfs/dbraw/zinc/55/79/22/568557922.db2.gz SZPBTAKDOQPRGD-QHCPKHFHSA-N 0 0 424.585 4.714 40 0 HJABRN CC(C)(C)CC(C)(C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000223747216 568558028 /nfs/dbraw/zinc/55/80/28/568558028.db2.gz VHWPQIPXSYDOCO-UHFFFAOYSA-N 0 0 416.587 4.597 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223779803 568558860 /nfs/dbraw/zinc/55/88/60/568558860.db2.gz MRNSHSHQSKEDCW-NRFANRHFSA-N 0 0 406.570 4.630 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C ZINC000223794293 568559408 /nfs/dbraw/zinc/55/94/08/568559408.db2.gz FWZGBWUCYLJUFI-QFIPXVFZSA-N 0 0 414.977 4.915 40 0 HJABRN Cc1cccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223805141 568559514 /nfs/dbraw/zinc/55/95/14/568559514.db2.gz MKLNGHJPELTGBN-OAQYLSRUSA-N 0 0 422.569 4.630 40 0 HJABRN Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223808033 568559634 /nfs/dbraw/zinc/55/96/34/568559634.db2.gz JUQXEOFHOXHRAK-FQEVSTJZSA-N 0 0 424.610 4.953 40 0 HJABRN Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807262 568559635 /nfs/dbraw/zinc/55/96/35/568559635.db2.gz JCAKVSRWFOCTJK-SFHVURJKSA-N 0 0 412.961 4.667 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223815313 568559853 /nfs/dbraw/zinc/55/98/53/568559853.db2.gz NYHNPFPPTPNRIK-QHCPKHFHSA-N 0 0 412.549 4.709 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223821747 568559869 /nfs/dbraw/zinc/55/98/69/568559869.db2.gz HZCHQBHUMKZDBI-GOSISDBHSA-N 0 0 412.961 4.667 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223821696 568559885 /nfs/dbraw/zinc/55/98/85/568559885.db2.gz HZCHQBHUMKZDBI-SFHVURJKSA-N 0 0 412.961 4.667 40 0 HJABRN CC(C)(C)CC(C)(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000223823887 568559961 /nfs/dbraw/zinc/55/99/61/568559961.db2.gz QJXBWHKLSJQOIP-UHFFFAOYSA-N 0 0 416.587 4.597 40 0 HJABRN Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCC1 ZINC000223829383 568560076 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557702828 /nfs/dbraw/zinc/70/28/28/557702828.db2.gz UIRPMVWTIVFIPX-ZWKOTPCHSA-N 0 0 408.885 4.746 40 0 HJABRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1)Nc1ccc(F)cc1 ZINC000006597954 557709734 /nfs/dbraw/zinc/70/97/34/557709734.db2.gz CFFZLIWBROPKMG-DEOSSOPVSA-N 0 0 405.425 4.712 40 0 HJABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OC)c(Cl)c2)c(C)c1 ZINC000006629937 557711131 /nfs/dbraw/zinc/71/11/31/557711131.db2.gz KTFVUYQGRHYAPM-UHFFFAOYSA-N 0 0 405.951 4.630 40 0 HJABRN CCCCOc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000006635655 557711490 /nfs/dbraw/zinc/71/14/90/557711490.db2.gz TVIWMCBXAJYONZ-UHFFFAOYSA-N 0 0 414.461 4.918 40 0 HJABRN COc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(C)cc2)cc1 ZINC000408697513 557714339 /nfs/dbraw/zinc/71/43/39/557714339.db2.gz JYZUYELJSCNBSG-UHFFFAOYSA-N 0 0 402.429 4.643 40 0 HJABRN Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2cccc(C)c2)cc1 ZINC000408697506 557714346 /nfs/dbraw/zinc/71/43/46/557714346.db2.gz JYDBBECGESCWOP-UHFFFAOYSA-N 0 0 411.461 4.591 40 0 HJABRN COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c1 ZINC000408697211 557714356 /nfs/dbraw/zinc/71/43/56/557714356.db2.gz GCNDNVRRJPLABP-UHFFFAOYSA-N 0 0 416.456 4.951 40 0 HJABRN COc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1 ZINC000408699222 557716323 /nfs/dbraw/zinc/71/63/23/557716323.db2.gz SHMRFIPTZGZIMJ-UHFFFAOYSA-N 0 0 422.847 4.988 40 0 HJABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)c1 ZINC000408702359 557726497 /nfs/dbraw/zinc/72/64/97/557726497.db2.gz DXGXYHQLHPYRJT-UHFFFAOYSA-N 0 0 424.522 4.594 40 0 HJABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000408703670 557728834 /nfs/dbraw/zinc/72/88/34/557728834.db2.gz WKKILGRANUSYGQ-IBGZPJMESA-N 0 0 411.926 4.695 40 0 HJABRN CCN(CC)C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704968 557730465 /nfs/dbraw/zinc/73/04/65/557730465.db2.gz WGHNCQHSDWTMAV-OAQYLSRUSA-N 0 0 402.947 4.596 40 0 HJABRN CC(C)CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704977 557730560 /nfs/dbraw/zinc/73/05/60/557730560.db2.gz WOOUGKRMBNHRKA-OAQYLSRUSA-N 0 0 402.947 4.500 40 0 HJABRN CCCOc1ccc(N2C[C@H](C(=O)NC3CCC(C(C)(C)CC)CC3)CC2=O)cc1 ZINC000408709064 557737109 /nfs/dbraw/zinc/73/71/09/557737109.db2.gz WUZIGQXFMOKPJT-XEVCZEQESA-N 0 0 414.590 4.940 40 0 HJABRN CC(C)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000007363518 557739727 /nfs/dbraw/zinc/73/97/27/557739727.db2.gz WQKLUVGQWRAMIP-UHFFFAOYSA-N 0 0 410.495 4.527 40 0 HJABRN COc1cccc(NC(=O)N(Cc2cc(C)cc(C)c2)c2nnc3n2CCCCC3)c1 ZINC000008549025 557794567 /nfs/dbraw/zinc/79/45/67/557794567.db2.gz JMXIUCYCJFNDPH-UHFFFAOYSA-N 0 0 419.529 4.869 40 0 HJABRN Cc1ccc(NC(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)cc1Cl ZINC000008640492 557798165 /nfs/dbraw/zinc/79/81/65/557798165.db2.gz FPFCUCFVSRBKED-UHFFFAOYSA-N 0 0 419.959 4.556 40 0 HJABRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000009234425 557831183 /nfs/dbraw/zinc/83/11/83/557831183.db2.gz URAJLMXKQAKYCG-UOEVCUDDSA-N 0 0 424.522 4.847 40 0 HJABRN CC(C)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000010009588 557853582 /nfs/dbraw/zinc/85/35/82/557853582.db2.gz DUZSTYHNYSVZEU-UHFFFAOYSA-N 0 0 414.552 4.949 40 0 HJABRN COCc1nn2c(nnc3c2C[C@@H](c2cccs2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156935 557856219 /nfs/dbraw/zinc/85/62/19/557856219.db2.gz QDODRCYLQXLAFT-CYBMUJFWSA-N 0 0 424.913 4.565 40 0 HJABRN CCc1nn2c(nnc3c2C[C@@H](c2ccccc2O)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156939 557856222 /nfs/dbraw/zinc/85/62/22/557856222.db2.gz OHDFOSFJIKTKCN-CQSZACIVSA-N 0 0 418.884 4.625 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(C)ccc3C)c2C)cc1 ZINC000010333654 557860896 /nfs/dbraw/zinc/86/08/96/557860896.db2.gz JUVOPHQTAGMGKB-UHFFFAOYSA-N 0 0 408.523 4.973 40 0 HJABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1OCC ZINC000010543979 558258983 /nfs/dbraw/zinc/25/89/83/558258983.db2.gz RILULABPJXFIQE-GFCCVEGCSA-N 0 0 418.342 4.830 40 0 HJABRN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)C3CCCC3)cc(C(F)(F)F)c12 ZINC000019742409 558262717 /nfs/dbraw/zinc/26/27/17/558262717.db2.gz OXPQPCRGIGPNRA-HNNXBMFYSA-N 0 0 409.456 4.651 40 0 HJABRN Cc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2)ncc1C(=O)Nc1ccccc1 ZINC000019755794 558274110 /nfs/dbraw/zinc/27/41/10/558274110.db2.gz QAOIJBLVGHWTHG-QFIPXVFZSA-N 0 0 404.489 4.904 40 0 HJABRN COc1ccc([C@@H]2Cc3c(c(C)nn3-c3nc4ccccc4s3)C(=O)C2)cc1OC ZINC000019817337 558287552 /nfs/dbraw/zinc/28/75/52/558287552.db2.gz LLLNMUNPLQGMDZ-OAHLLOKOSA-N 0 0 419.506 4.720 40 0 HJABRN CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000019886514 558302087 /nfs/dbraw/zinc/30/20/87/558302087.db2.gz GPTYBXPZSUEQSP-UHFFFAOYSA-N 0 0 412.536 4.852 40 0 HJABRN Cc1cccc(-c2nnc(CSc3nnc(COc4ccc(Cl)cc4)o3)o2)c1 ZINC000019929112 558309125 /nfs/dbraw/zinc/30/91/25/558309125.db2.gz OTNCZYHWWISJQB-UHFFFAOYSA-N 0 0 414.874 4.953 40 0 HJABRN Cc1cc(-c2cnc(NCc3ccccc3-n3ccnc3)nc2-c2cccs2)on1 ZINC000012087407 558322269 /nfs/dbraw/zinc/32/22/69/558322269.db2.gz QIUUCLIIXYUTEL-UHFFFAOYSA-N 0 0 414.494 4.966 40 0 HJABRN CC(C)C(NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)C(C)C ZINC000020034809 558324583 /nfs/dbraw/zinc/32/45/83/558324583.db2.gz WDRLCBGNRRVWMY-UHFFFAOYSA-N 0 0 408.951 4.551 40 0 HJABRN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(C)c1 ZINC000020046971 558327644 /nfs/dbraw/zinc/32/76/44/558327644.db2.gz DKXOEDJMLOSVKG-UHFFFAOYSA-N 0 0 414.505 4.987 40 0 HJABRN Cc1cccc(N2C(=O)S/C(=C3/SC(=O)N(c4cccc(C)c4)C3=O)C2=O)c1 ZINC000012136832 558333832 /nfs/dbraw/zinc/33/38/32/558333832.db2.gz WDWKUDMRJJRYGN-FOCLMDBBSA-N 0 0 410.476 4.615 40 0 HJABRN CCc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020112265 558336275 /nfs/dbraw/zinc/33/62/75/558336275.db2.gz MSPZEHDDYQMEBU-UHFFFAOYSA-N 0 0 414.914 4.956 40 0 HJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1C ZINC000020152135 558341117 /nfs/dbraw/zinc/34/11/17/558341117.db2.gz QRSPVPOQMHJPNP-UHFFFAOYSA-N 0 0 414.914 4.836 40 0 HJABRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Cl ZINC000020152325 558341325 /nfs/dbraw/zinc/34/13/25/558341325.db2.gz CBXHYPJNPFUUFP-UHFFFAOYSA-N 0 0 414.914 4.836 40 0 HJABRN COc1ccc(OC)c2[nH]c(C(=O)N3[C@@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)cc21 ZINC000012181173 558342757 /nfs/dbraw/zinc/34/27/57/558342757.db2.gz IEIMGBPNXQUSLP-ZNXRZULTSA-N 0 0 408.473 4.875 40 0 HJABRN CCOC(=O)c1c(NC(=S)C(=O)Nc2c(C)cccc2C)sc2c1CCCC2 ZINC000020168448 558343145 /nfs/dbraw/zinc/34/31/45/558343145.db2.gz UJLBONLHNRVHCW-UHFFFAOYSA-N 0 0 416.568 4.798 40 0 HJABRN COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccc(C)c(C)c2)o1 ZINC000020196914 558345430 /nfs/dbraw/zinc/34/54/30/558345430.db2.gz XKCRVJQYAGMMCE-UHFFFAOYSA-N 0 0 417.918 4.670 40 0 HJABRN CC(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)Cc3ccccn3)cc2)n1 ZINC000012220535 558355657 /nfs/dbraw/zinc/35/56/57/558355657.db2.gz IZIOMGHKOYRLQL-UHFFFAOYSA-N 0 0 423.520 4.583 40 0 HJABRN CC(C)Cn1nc([C@H](Cc2ccccc2)NC(=O)c2ccccc2F)c2cccnc21 ZINC000012236282 558358739 /nfs/dbraw/zinc/35/87/39/558358739.db2.gz ZXIXTLOMIXMDJG-QFIPXVFZSA-N 0 0 416.500 4.940 40 0 HJABRN Cc1nn2cccnc2c1C(=O)N1CCC(CCc2ccccc2C(F)(F)F)CC1 ZINC000012240348 558360155 /nfs/dbraw/zinc/36/01/55/558360155.db2.gz ACRXCXWONVMCJI-UHFFFAOYSA-N 0 0 416.447 4.542 40 0 HJABRN Cc1cc(-c2cnn(CCNC(=O)[C@H](C)c3ccc(C)cc3)c2-c2cccs2)on1 ZINC000012258644 558363162 /nfs/dbraw/zinc/36/31/62/558363162.db2.gz MJQRZHMXBFGEHH-QGZVFWFLSA-N 0 0 420.538 4.803 40 0 HJABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020451151 558365744 /nfs/dbraw/zinc/36/57/44/558365744.db2.gz QRLXHQHXXZAWJR-UHFFFAOYSA-N 0 0 422.532 4.755 40 0 HJABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000020459795 558372170 /nfs/dbraw/zinc/37/21/70/558372170.db2.gz PIQYZPMRVUZPCA-SFHVURJKSA-N 0 0 424.522 4.510 40 0 HJABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020460248 558372373 /nfs/dbraw/zinc/37/23/73/558372373.db2.gz YLBWYYMMHPJQLP-QFIPXVFZSA-N 0 0 400.950 4.771 40 0 HJABRN C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 ZINC000020461686 558373311 /nfs/dbraw/zinc/37/33/11/558373311.db2.gz XIFOJUHXQSUIQA-OAHLLOKOSA-N 0 0 414.914 4.632 40 0 HJABRN Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 ZINC000020609581 558389548 /nfs/dbraw/zinc/38/95/48/558389548.db2.gz CDMJSUHEWISAEK-UHFFFAOYSA-N 0 0 404.282 4.720 40 0 HJABRN Cc1nnc2sc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nn12 ZINC000020609751 558389804 /nfs/dbraw/zinc/38/98/04/558389804.db2.gz BMBKPVMFXLHJEG-UHFFFAOYSA-N 0 0 404.282 4.720 40 0 HJABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3C)c2C)c1-c1ccc(Cl)cc1 ZINC000020672693 558398538 /nfs/dbraw/zinc/39/85/38/558398538.db2.gz GRKBHKDKYYLQNR-UHFFFAOYSA-N 0 0 405.889 4.876 40 0 HJABRN Cc1ccc2nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[nH]3)nc(C)c2c1 ZINC000020673296 558398840 /nfs/dbraw/zinc/39/88/40/558398840.db2.gz NGSVQKVVUOTZSB-UHFFFAOYSA-N 0 0 405.889 4.626 40 0 HJABRN CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3ccc(C)cc3nc21 ZINC000021595111 558442645 /nfs/dbraw/zinc/44/26/45/558442645.db2.gz ZSCMSOOVXGEGCE-UHFFFAOYSA-N 0 0 408.889 4.974 40 0 HJABRN COc1ccccc1CNc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000022053517 558459888 /nfs/dbraw/zinc/45/98/88/558459888.db2.gz GCAWBLLBGLOZRH-UHFFFAOYSA-N 0 0 401.388 4.973 40 0 HJABRN COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(C(F)(F)F)cc1 ZINC000022073017 558461980 /nfs/dbraw/zinc/46/19/80/558461980.db2.gz AINHZEOLAGKCLK-UHFFFAOYSA-N 0 0 401.388 4.783 40 0 HJABRN CCn1cc(C(=O)Nc2cc(C)ccc2OC)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236847 558470901 /nfs/dbraw/zinc/47/09/01/558470901.db2.gz VZNYAOOFLXGXMB-UHFFFAOYSA-N 0 0 404.388 4.610 40 0 HJABRN CCn1cc(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236849 558470913 /nfs/dbraw/zinc/47/09/13/558470913.db2.gz LKEVFYATAYEKLZ-UHFFFAOYSA-N 0 0 424.806 4.955 40 0 HJABRN COc1ccc(CN(C)C(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000022516674 558493920 /nfs/dbraw/zinc/49/39/20/558493920.db2.gz JVHQGOFCIBGUOL-UHFFFAOYSA-N 0 0 400.522 4.920 40 0 HJABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 ZINC000022532511 558497193 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HJABRN CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Br)cc2)c1 ZINC000013674149 558563689 /nfs/dbraw/zinc/56/36/89/558563689.db2.gz DPIMHHAWJQCDKT-UHFFFAOYSA-N 0 0 422.344 4.806 40 0 HJABRN CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712598 558576794 /nfs/dbraw/zinc/57/67/94/558576794.db2.gz AXTSPDZWURPWBW-LJQANCHMSA-N 0 0 422.978 4.955 40 0 HJABRN CCCCc1ccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000013713731 558577580 /nfs/dbraw/zinc/57/75/80/558577580.db2.gz TZBIPPHYFGJURP-NRFANRHFSA-N 0 0 402.560 4.521 40 0 HJABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714638 558578285 /nfs/dbraw/zinc/57/82/85/558578285.db2.gz YQKWZNSFSPKJNA-IBGZPJMESA-N 0 0 422.978 4.648 40 0 HJABRN CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039767865 558686150 /nfs/dbraw/zinc/68/61/50/558686150.db2.gz LPGREHVJWPBYCV-UHFFFAOYSA-N 0 0 418.896 4.507 40 0 HJABRN CC(=O)Oc1cccc(O[C@@H](C)c2nc(-c3ccc(Br)cc3)no2)c1 ZINC000028218100 558692908 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HJABRN CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222757756 568525670 /nfs/dbraw/zinc/52/56/70/568525670.db2.gz WHHXWKPWZAWQMN-QZTJIDSGSA-N 0 0 414.328 4.706 40 0 HJABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222768416 568525922 /nfs/dbraw/zinc/52/59/22/568525922.db2.gz QXZTVOXXKCIYAQ-KRWDZBQOSA-N 0 0 400.950 4.523 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC)cc1 ZINC000222769799 568525979 /nfs/dbraw/zinc/52/59/79/568525979.db2.gz SMNFZPIJYIOCGU-OAHLLOKOSA-N 0 0 421.368 4.652 40 0 HJABRN CCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 ZINC000222810113 568527024 /nfs/dbraw/zinc/52/70/24/568527024.db2.gz KSBJNYBVEPZCPH-QNGOZBTKSA-N 0 0 404.466 4.569 40 0 HJABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000222829794 568527721 /nfs/dbraw/zinc/52/77/21/568527721.db2.gz GEDPHHUWQGASEO-OAHLLOKOSA-N 0 0 407.341 4.827 40 0 HJABRN COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 ZINC000222839175 568527963 /nfs/dbraw/zinc/52/79/63/568527963.db2.gz OJKGJTORJLTEOQ-QHCPKHFHSA-N 0 0 409.551 4.997 40 0 HJABRN C[C@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222843194 568528077 /nfs/dbraw/zinc/52/80/77/568528077.db2.gz QUVHQLIOGKGOLG-GOSISDBHSA-N 0 0 424.928 4.599 40 0 HJABRN COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1 ZINC000222932355 568531441 /nfs/dbraw/zinc/53/14/41/568531441.db2.gz NJLWNRPMBNWXFS-VXKWHMMOSA-N 0 0 406.555 4.509 40 0 HJABRN CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 ZINC000222930318 568531457 /nfs/dbraw/zinc/53/14/57/568531457.db2.gz ATAVJQFNWSSTSC-DHIUTWEWSA-N 0 0 419.598 4.567 40 0 HJABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000222937041 568531638 /nfs/dbraw/zinc/53/16/38/568531638.db2.gz COAWJLXKFLSCIQ-NRFANRHFSA-N 0 0 413.558 4.908 40 0 HJABRN CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC(C)C)cc1 ZINC000222938687 568531774 /nfs/dbraw/zinc/53/17/74/568531774.db2.gz BNBFBCDUXWCZQA-DEOSSOPVSA-N 0 0 408.586 4.556 40 0 HJABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 ZINC000222941350 568531923 /nfs/dbraw/zinc/53/19/23/568531923.db2.gz KZEGGKFJKISARF-FQEVSTJZSA-N 0 0 407.514 4.850 40 0 HJABRN Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000222948833 568531986 /nfs/dbraw/zinc/53/19/86/568531986.db2.gz KJQNKKASXABHJF-UHFFFAOYSA-N 0 0 422.550 4.547 40 0 HJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2nccs2)c1C ZINC000222953242 568532139 /nfs/dbraw/zinc/53/21/39/568532139.db2.gz ACFUEOUUYFHHJZ-MOPGFXCFSA-N 0 0 411.600 4.718 40 0 HJABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000222956156 568532319 /nfs/dbraw/zinc/53/23/19/568532319.db2.gz SYDRVNBFUHXUEO-OAQYLSRUSA-N 0 0 400.950 4.771 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222982788 568533126 /nfs/dbraw/zinc/53/31/26/568533126.db2.gz PFVIFFWGPPTZBJ-FQEVSTJZSA-N 0 0 424.585 4.697 40 0 HJABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223004034 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4.640 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223087329 568537150 /nfs/dbraw/zinc/53/71/50/568537150.db2.gz SXGTUSKUZWSORI-IBGZPJMESA-N 0 0 424.585 4.522 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl ZINC000223092496 568537310 /nfs/dbraw/zinc/53/73/10/568537310.db2.gz ZEKWOZZFAVFGQW-KRWDZBQOSA-N 0 0 418.940 4.664 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 ZINC000223095763 568537436 /nfs/dbraw/zinc/53/74/36/568537436.db2.gz BMOHLXKYDUFJLG-HXUWFJFHSA-N 0 0 412.599 4.811 40 0 HJABRN Cc1ccc(OCCCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223118693 568538293 /nfs/dbraw/zinc/53/82/93/568538293.db2.gz QREYBMAZDZMMSK-NRFANRHFSA-N 0 0 424.585 4.529 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223125723 568538543 /nfs/dbraw/zinc/53/85/43/568538543.db2.gz SYLGIBDJTVCTRQ-SFHVURJKSA-N 0 0 400.950 4.525 40 0 HJABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000223127187 568538547 /nfs/dbraw/zinc/53/85/47/568538547.db2.gz FHMUZYGLURJDRX-SFHVURJKSA-N 0 0 414.977 4.647 40 0 HJABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223125793 568538572 /nfs/dbraw/zinc/53/85/72/568538572.db2.gz COCJJAZURLHKLX-JOCHJYFZSA-N 0 0 414.977 4.852 40 0 HJABRN CCCCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2C)cc1 ZINC000223146200 568539486 /nfs/dbraw/zinc/53/94/86/568539486.db2.gz CMZYQAXTGHVHPV-UHFFFAOYSA-N 0 0 419.481 4.670 40 0 HJABRN COc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)cc3)s2)cc1 ZINC000223171037 568539984 /nfs/dbraw/zinc/53/99/84/568539984.db2.gz GYFCHQMCSVEDCR-UHFFFAOYSA-N 0 0 405.932 4.739 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223239341 568542198 /nfs/dbraw/zinc/54/21/98/568542198.db2.gz PMEYSEPFWDYDSK-SFHVURJKSA-N 0 0 416.562 4.560 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223254392 568542663 /nfs/dbraw/zinc/54/26/63/568542663.db2.gz SNTIJXNGEMZETR-HSZRJFAPSA-N 0 0 424.585 4.713 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C ZINC000223267885 568543407 /nfs/dbraw/zinc/54/34/07/568543407.db2.gz JYBGHIJEYIBIMA-JOCHJYFZSA-N 0 0 424.585 4.713 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223268598 568543485 /nfs/dbraw/zinc/54/34/85/568543485.db2.gz WRXYYNPYMVMVBE-OAQYLSRUSA-N 0 0 414.977 4.913 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000223311317 568544881 /nfs/dbraw/zinc/54/48/81/568544881.db2.gz PYJVMGALYKIMFV-FQEVSTJZSA-N 0 0 421.368 4.788 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1C[C@@H]1CCCO1 ZINC000223326945 568545390 /nfs/dbraw/zinc/54/53/90/568545390.db2.gz CKRFROWZZMQYFA-BVSLBCMMSA-N 0 0 410.587 4.540 40 0 HJABRN Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223355938 568546357 /nfs/dbraw/zinc/54/63/57/568546357.db2.gz HNDBXFJFGSKZDV-VXKWHMMOSA-N 0 0 418.497 4.777 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1 ZINC000223365927 568546517 /nfs/dbraw/zinc/54/65/17/568546517.db2.gz STVLSJMEYIJIKY-FCHUYYIVSA-N 0 0 400.507 4.638 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1 ZINC000223365982 568546679 /nfs/dbraw/zinc/54/66/79/568546679.db2.gz STVLSJMEYIJIKY-FGZHOGPDSA-N 0 0 400.507 4.638 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c(C)c1C ZINC000223383353 568547162 /nfs/dbraw/zinc/54/71/62/568547162.db2.gz JYHCPXFJXPEZHF-KRWDZBQOSA-N 0 0 405.560 4.792 40 0 HJABRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c(C)c1 ZINC000223383807 568547177 /nfs/dbraw/zinc/54/71/77/568547177.db2.gz ZLPZYRAYFFMYLK-QGZVFWFLSA-N 0 0 405.560 4.792 40 0 HJABRN CCN(c1ccc2sc(C(=O)NC(C)(C)C)cc2c1)S(=O)(=O)c1ccccc1 ZINC000223393301 568547327 /nfs/dbraw/zinc/54/73/27/568547327.db2.gz QUXKQCJURKPQBS-UHFFFAOYSA-N 0 0 416.568 4.645 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 ZINC000223405582 568547672 /nfs/dbraw/zinc/54/76/72/568547672.db2.gz 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DPTLJIPLVLCEOK-UHFFFAOYSA-N 0 0 403.419 4.853 40 0 HJABRN C[C@H]1CCCC[C@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000039964061 558823005 /nfs/dbraw/zinc/82/30/05/558823005.db2.gz RKURYZYBBQHUCF-NYSBEXSLSA-N 0 0 420.488 4.671 40 0 HJABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000101000640 558824832 /nfs/dbraw/zinc/82/48/32/558824832.db2.gz CZNJUCWEUUULRC-BDTNDASRSA-N 0 0 418.880 4.700 40 0 HJABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4Cl)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101074394 558826522 /nfs/dbraw/zinc/82/65/22/558826522.db2.gz CNTPOBMIWIPEHC-FSSWDIPSSA-N 0 0 418.880 4.700 40 0 HJABRN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC ZINC000013915155 558832462 /nfs/dbraw/zinc/83/24/62/558832462.db2.gz ODIWTQNHECGZAV-GDNBJRDFSA-N 0 0 420.284 4.707 40 0 HJABRN CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019020029 558837769 /nfs/dbraw/zinc/83/77/69/558837769.db2.gz BCUWZSGMVMRNGF-XUZZJYLKSA-N 0 0 422.525 4.629 40 0 HJABRN COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(NC(C)=O)cc1)C1=C2CCCC1 ZINC000019022367 558838098 /nfs/dbraw/zinc/83/80/98/558838098.db2.gz IZIUNSCEUOTEEB-QFIPXVFZSA-N 0 0 420.509 4.517 40 0 HJABRN CC(C)(NC(=O)N1CCCCC1)c1cccc(C(C)(C)NC(=O)N2CCCCC2)c1 ZINC000019075295 558838359 /nfs/dbraw/zinc/83/83/59/558838359.db2.gz JFIVNXKHTXZXQQ-UHFFFAOYSA-N 0 0 414.594 4.548 40 0 HJABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C3CCCC3)C1)N2 ZINC000019083962 558840665 /nfs/dbraw/zinc/84/06/65/558840665.db2.gz HTUOVPXWAJLIHU-YESZJQIVSA-N 0 0 408.537 4.600 40 0 HJABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H]3CC=CCC3)C1)N2 ZINC000019083952 558840710 /nfs/dbraw/zinc/84/07/10/558840710.db2.gz SOEYOYUNSJDPLY-XWTMOSNGSA-N 0 0 420.548 4.766 40 0 HJABRN Cc1nc(Cc2ccccc2)sc1C(=O)NCC1(c2ccc(C)cc2)CCOCC1 ZINC000019208699 558847689 /nfs/dbraw/zinc/84/76/89/558847689.db2.gz JGGVYIZPGVWSDH-UHFFFAOYSA-N 0 0 420.578 4.829 40 0 HJABRN Cc1cccc(CC(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1 ZINC000019234642 558853997 /nfs/dbraw/zinc/85/39/97/558853997.db2.gz SWCLKTAVIGBLRA-UHFFFAOYSA-N 0 0 401.432 4.839 40 0 HJABRN COc1ccccc1-c1cc(C(=O)N(Cc2ccccc2)Cc2cccc(C)n2)[nH]n1 ZINC000019236115 558855190 /nfs/dbraw/zinc/85/51/90/558855190.db2.gz DRMSNBSHGVFPQO-UHFFFAOYSA-N 0 0 412.493 4.631 40 0 HJABRN COc1ccc(-c2ncc(CN[C@@H](Cc3ccsc3)c3ncccc3C)cn2)cc1 ZINC000019237662 558856743 /nfs/dbraw/zinc/85/67/43/558856743.db2.gz VJRQWYFJLWVRCE-QFIPXVFZSA-N 0 0 416.550 4.991 40 0 HJABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC2CCCC2)cc(N(C)C)n1 ZINC000019240851 558859445 /nfs/dbraw/zinc/85/94/45/558859445.db2.gz MEBAWJDKWCXDBJ-QFIPXVFZSA-N 0 0 419.573 4.703 40 0 HJABRN Cc1nccn1CCCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000019288130 558861265 /nfs/dbraw/zinc/86/12/65/558861265.db2.gz ZCWGNYZENHSZMK-UHFFFAOYSA-N 0 0 409.342 4.965 40 0 HJABRN COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1ccncc1 ZINC000019290072 558862500 /nfs/dbraw/zinc/86/25/00/558862500.db2.gz YBMFFHGZAUYEPX-LJQANCHMSA-N 0 0 410.905 4.512 40 0 HJABRN Cn1cc(-c2cc(C(=O)N(Cc3ccccn3)C3CCCC3)c3ccccc3n2)cn1 ZINC000019290734 558863177 /nfs/dbraw/zinc/86/31/77/558863177.db2.gz HFHAOMKXEPXWRG-UHFFFAOYSA-N 0 0 411.509 4.615 40 0 HJABRN CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013750219 558863807 /nfs/dbraw/zinc/86/38/07/558863807.db2.gz HKJYIXSCILEBFO-FHWLQOOXSA-N 0 0 419.308 4.862 40 0 HJABRN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccncc2C)cc1 ZINC000019320953 558867303 /nfs/dbraw/zinc/86/73/03/558867303.db2.gz RKMNRCNVZBFEIU-UHFFFAOYSA-N 0 0 417.553 4.814 40 0 HJABRN c1csc([C@@H](Cc2ccsc2)NCc2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000019330943 558868243 /nfs/dbraw/zinc/86/82/43/558868243.db2.gz AHAJRUKAXIWTCL-WOJBJXKFSA-N 0 0 400.569 4.836 40 0 HJABRN O=C(C1CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019373070 558880065 /nfs/dbraw/zinc/88/00/65/558880065.db2.gz BBJIMTCLHBXZKH-HXUWFJFHSA-N 0 0 413.525 4.788 40 0 HJABRN CC(C)(C)n1nnnc1[C@H](c1cccnc1)N(Cc1cccs1)Cc1ccccc1 ZINC000057710975 558889913 /nfs/dbraw/zinc/88/99/13/558889913.db2.gz SGYJJYITWMLWJY-NRFANRHFSA-N 0 0 418.570 4.676 40 0 HJABRN NC(=O)c1c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc2c1CCCC2 ZINC000070461125 558892051 /nfs/dbraw/zinc/89/20/51/558892051.db2.gz DTVZSSPEZBGJFJ-UHFFFAOYSA-N 0 0 402.947 4.830 40 0 HJABRN CCCC(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 ZINC000019501311 558899230 /nfs/dbraw/zinc/89/92/30/558899230.db2.gz OUXCYJQBFFOLCF-IBGZPJMESA-N 0 0 401.514 4.788 40 0 HJABRN Cc1scc(C(=O)N2CCC[C@@H]2c2nnc(-c3nccc4ccccc43)o2)c1C ZINC000019561871 558922661 /nfs/dbraw/zinc/92/26/61/558922661.db2.gz HBJSALZPOXXSKU-GOSISDBHSA-N 0 0 404.495 4.940 40 0 HJABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000019568696 558927732 /nfs/dbraw/zinc/92/77/32/558927732.db2.gz UOKJAVQNGPPNKS-AWEZNQCLSA-N 0 0 421.394 4.638 40 0 HJABRN Cc1nc(-c2cccnc2)sc1C(=O)NCC1(c2cc(C)cc(C)c2)CCOCC1 ZINC000019569559 558928462 /nfs/dbraw/zinc/92/84/62/558928462.db2.gz LOSKYGQOGHEKFV-UHFFFAOYSA-N 0 0 421.566 4.609 40 0 HJABRN COc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 ZINC000072228706 558931721 /nfs/dbraw/zinc/93/17/21/558931721.db2.gz HFPMPCKQDOWFFP-UHFFFAOYSA-N 0 0 406.511 4.977 40 0 HJABRN COc1ccc([C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c2ccccc2)cc1 ZINC000019574463 558932107 /nfs/dbraw/zinc/93/21/07/558932107.db2.gz MWGXROPZMDIBPE-DEOSSOPVSA-N 0 0 415.493 4.669 40 0 HJABRN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(F)c(-n3nc(C)cc3C)c2)cc1OC ZINC000019574624 558932217 /nfs/dbraw/zinc/93/22/17/558932217.db2.gz BBXXMGSLFMNPAF-FQEVSTJZSA-N 0 0 423.488 4.623 40 0 HJABRN Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H](COc3ccccc3F)C2)c(C)c1Cl ZINC000019577508 558933349 /nfs/dbraw/zinc/93/33/49/558933349.db2.gz PANSGIVXJFBHKM-WMLDXEAASA-N 0 0 407.917 4.561 40 0 HJABRN Cc1nn([C@@H](C)CC(=O)N2CCC[C@H](COc3ccccc3F)C2)c(C)c1Cl ZINC000019577512 558933357 /nfs/dbraw/zinc/93/33/57/558933357.db2.gz PANSGIVXJFBHKM-YOEHRIQHSA-N 0 0 407.917 4.561 40 0 HJABRN COc1ccccc1-c1noc(C)c1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000019579668 558935308 /nfs/dbraw/zinc/93/53/08/558935308.db2.gz YEOPJNJHMQNXDP-JOCHJYFZSA-N 0 0 422.481 4.557 40 0 HJABRN O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)C1CCCC1 ZINC000072341431 558939765 /nfs/dbraw/zinc/93/97/65/558939765.db2.gz UXJCZIUQOCKKTN-XLIONFOSSA-N 0 0 419.541 4.681 40 0 HJABRN Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c1 ZINC000072345317 558941801 /nfs/dbraw/zinc/94/18/01/558941801.db2.gz ZLPASPXBQHSSKQ-GBXCKJPGSA-N 0 0 418.581 4.558 40 0 HJABRN COCC(=O)N1CCc2sccc2[C@@H]1c1ccc(NCc2ccc(F)cc2)cc1 ZINC000019592932 558943868 /nfs/dbraw/zinc/94/38/68/558943868.db2.gz QJHJITTZSXXPSX-QHCPKHFHSA-N 0 0 410.514 4.620 40 0 HJABRN COCCCNc1ncc(-c2ccc(F)cc2)c(-c2cnn(Cc3ccccc3)c2)n1 ZINC000019593332 558944385 /nfs/dbraw/zinc/94/43/85/558944385.db2.gz NDQVVEOLEYDHFP-UHFFFAOYSA-N 0 0 417.488 4.643 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 ZINC000072349574 558946534 /nfs/dbraw/zinc/94/65/34/558946534.db2.gz GLIRMOVFDVIECK-OAQYLSRUSA-N 0 0 418.512 4.769 40 0 HJABRN COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072349587 558946557 /nfs/dbraw/zinc/94/65/57/558946557.db2.gz XTZUZMVPXJVXFI-LJQANCHMSA-N 0 0 404.485 4.845 40 0 HJABRN CCc1nnsc1C(=O)N1CCC[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000072354187 558951595 /nfs/dbraw/zinc/95/15/95/558951595.db2.gz IEAXXEOAULPPHD-HXUWFJFHSA-N 0 0 420.582 4.723 40 0 HJABRN Cc1ccc2[nH]c(-c3cccc(NC(=O)c4cccc(CN5CCCC5=O)c4)c3)nc2c1 ZINC000019660464 558951641 /nfs/dbraw/zinc/95/16/41/558951641.db2.gz WBWCCGQCBSKUJP-UHFFFAOYSA-N 0 0 424.504 4.913 40 0 HJABRN C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000019661603 558952704 /nfs/dbraw/zinc/95/27/04/558952704.db2.gz QLAUXRZFLKNLSF-GFCCVEGCSA-N 0 0 400.466 4.586 40 0 HJABRN O=C(c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1)N1CCc2ccccc2C1 ZINC000072356259 558953140 /nfs/dbraw/zinc/95/31/40/558953140.db2.gz CBMCUZUCLYEGIV-XMMPIXPASA-N 0 0 424.544 4.621 40 0 HJABRN O=C(CCOc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072358273 558954139 /nfs/dbraw/zinc/95/41/39/558954139.db2.gz FLPTUQOPEVXXMW-DEOSSOPVSA-N 0 0 404.485 4.944 40 0 HJABRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nc(-c4ccccn4)cs3)c2)n1 ZINC000019666535 558956318 /nfs/dbraw/zinc/95/63/18/558956318.db2.gz JQAVUQXFVPXRCJ-UHFFFAOYSA-N 0 0 409.902 4.913 40 0 HJABRN Cc1nc2ccccc2n1Cc1cc(N[C@H](C)c2ccc(OC(C)C)cc2)nc(N)n1 ZINC000072373260 558961128 /nfs/dbraw/zinc/96/11/28/558961128.db2.gz RQECUMUOJCDELF-MRXNPFEDSA-N 0 0 416.529 4.726 40 0 HJABRN COc1ccc(-c2cnc(CCC(=O)Nc3cc(OC)c(Cl)cc3OC)o2)cc1 ZINC000063898531 558961170 /nfs/dbraw/zinc/96/11/70/558961170.db2.gz YAFXOZJHFMOFLB-UHFFFAOYSA-N 0 0 416.861 4.592 40 0 HJABRN Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072377047 558966354 /nfs/dbraw/zinc/96/63/54/558966354.db2.gz DEVHKHWHZWPEKS-FQEVSTJZSA-N 0 0 424.907 4.815 40 0 HJABRN Cc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000072390213 558970418 /nfs/dbraw/zinc/97/04/18/558970418.db2.gz BHCSJFXKWIQQBG-UHFFFAOYSA-N 0 0 417.431 4.889 40 0 HJABRN 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CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 ZINC000222968869 568532669 /nfs/dbraw/zinc/53/26/69/568532669.db2.gz CKDGEPGOLCAQKL-HXUWFJFHSA-N 0 0 418.990 4.684 40 0 HJABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000222986472 568533360 /nfs/dbraw/zinc/53/33/60/568533360.db2.gz FUAJZPRRIQDXAF-KRWDZBQOSA-N 0 0 401.528 4.826 40 0 HJABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222994007 568533602 /nfs/dbraw/zinc/53/36/02/568533602.db2.gz YDYQXVMYNPEXBK-HSZRJFAPSA-N 0 0 406.526 4.598 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222994267 568533613 /nfs/dbraw/zinc/53/36/13/568533613.db2.gz OBSCAZFIGATGGL-INIZCTEOSA-N 0 0 421.368 4.870 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000223035072 568535017 /nfs/dbraw/zinc/53/50/17/568535017.db2.gz PZTDBBJBLKSHQY-LJQANCHMSA-N 0 0 413.905 4.823 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000223034386 568535018 /nfs/dbraw/zinc/53/50/18/568535018.db2.gz GUQUCAOMEVPQBG-QGZVFWFLSA-N 0 0 420.296 4.826 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000223035775 568535045 /nfs/dbraw/zinc/53/50/45/568535045.db2.gz BLVITGFILHQYCQ-MRXNPFEDSA-N 0 0 419.934 4.966 40 0 HJABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223053991 568535795 /nfs/dbraw/zinc/53/57/95/568535795.db2.gz GDIJNRVEKISWJU-VWLOTQADSA-N 0 0 414.549 4.743 40 0 HJABRN CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223054050 568535888 /nfs/dbraw/zinc/53/58/88/568535888.db2.gz GDIJNRVEKISWJU-RUZDIDTESA-N 0 0 414.549 4.743 40 0 HJABRN CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000223058561 568536062 /nfs/dbraw/zinc/53/60/62/568536062.db2.gz QOAVZKCVXKQVAO-LJQANCHMSA-N 0 0 408.361 4.758 40 0 HJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000223081912 568536870 /nfs/dbraw/zinc/53/68/70/568536870.db2.gz ZTGRFQZFSMGZHW-HZPDHXFCSA-N 0 0 421.368 4.868 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1C1CCCCC1 ZINC000223082756 568536919 /nfs/dbraw/zinc/53/69/19/568536919.db2.gz XLQRLHSXPPOUEJ-FCHUYYIVSA-N 0 0 403.555 4.573 40 0 HJABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)nc1 ZINC000223086272 568537054 /nfs/dbraw/zinc/53/70/54/568537054.db2.gz SGRADRCXJIEKHW-GOTSBHOMSA-N 0 0 417.582 4.881 40 0 HJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 ZINC000223086555 568537151 /nfs/dbraw/zinc/53/71/51/568537151.db2.gz IJSDFYPRQAXZAB-QZTJIDSGSA-N 0 0 416.562 4.558 40 0 HJABRN CCCCN1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2S(=O)(=O)N=C1C ZINC000223115832 568538008 /nfs/dbraw/zinc/53/80/08/568538008.db2.gz FVWBNVZTECJALZ-UHFFFAOYSA-N 0 0 419.934 4.628 40 0 HJABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223125738 568538578 /nfs/dbraw/zinc/53/85/78/568538578.db2.gz COCJJAZURLHKLX-QFIPXVFZSA-N 0 0 414.977 4.852 40 0 HJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl ZINC000223132589 568538914 /nfs/dbraw/zinc/53/89/14/568538914.db2.gz MCTOQXBJFMXKES-IRXDYDNUSA-N 0 0 418.940 4.744 40 0 HJABRN CSc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)N1CCCC1 ZINC000026115121 568540390 /nfs/dbraw/zinc/54/03/90/568540390.db2.gz RCQMECMDAGWZKL-UHFFFAOYSA-N 0 0 418.584 4.569 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl ZINC000223190959 568540626 /nfs/dbraw/zinc/54/06/26/568540626.db2.gz YBAQVWFZTZSSAK-INIZCTEOSA-N 0 0 421.368 4.870 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 ZINC000223207313 568541106 /nfs/dbraw/zinc/54/11/06/568541106.db2.gz LAMCMNNWLLMBHU-HSZRJFAPSA-N 0 0 408.586 4.958 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000223223797 568541438 /nfs/dbraw/zinc/54/14/38/568541438.db2.gz SEAVLGFSSWNOAT-QHCPKHFHSA-N 0 0 408.586 4.876 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223237931 568542167 /nfs/dbraw/zinc/54/21/67/568542167.db2.gz LSSSGYOOYKLYCB-LJQANCHMSA-N 0 0 414.977 4.833 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C ZINC000223258304 568542824 /nfs/dbraw/zinc/54/28/24/568542824.db2.gz WXSZLVMWHZIYMC-QFIPXVFZSA-N 0 0 424.585 4.713 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223267283 568543379 /nfs/dbraw/zinc/54/33/79/568543379.db2.gz PLLVGUTVGATOGY-HXUWFJFHSA-N 0 0 421.368 4.788 40 0 HJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223270198 568543540 /nfs/dbraw/zinc/54/35/40/568543540.db2.gz YEUMRBQVEQVAJH-XMMPIXPASA-N 0 0 424.585 4.598 40 0 HJABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC ZINC000223270003 568543586 /nfs/dbraw/zinc/54/35/86/568543586.db2.gz KCYGWGQAXRHWMR-XMMPIXPASA-N 0 0 424.585 4.742 40 0 HJABRN COc1cc(C)c([C@@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1C(C)C ZINC000223271209 568543669 /nfs/dbraw/zinc/54/36/69/568543669.db2.gz NPCKNIGPMHNGEZ-OAHLLOKOSA-N 0 0 401.503 4.644 40 0 HJABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223337844 568545721 /nfs/dbraw/zinc/54/57/21/568545721.db2.gz CVUZXRIESPMBBL-XZOQPEGZSA-N 0 0 414.534 4.946 40 0 HJABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223338752 568545732 /nfs/dbraw/zinc/54/57/32/568545732.db2.gz SSZXUGYLEDVVRT-VWLOTQADSA-N 0 0 400.522 4.791 40 0 HJABRN COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)c1 ZINC000223342134 568545868 /nfs/dbraw/zinc/54/58/68/568545868.db2.gz MXVTVSVRJYBYCT-QGZVFWFLSA-N 0 0 423.513 4.603 40 0 HJABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223343883 568545885 /nfs/dbraw/zinc/54/58/85/568545885.db2.gz PPYCQISTMWBHRG-AREMUKBSSA-N 0 0 414.549 4.916 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223351451 568546056 /nfs/dbraw/zinc/54/60/56/568546056.db2.gz CQNXXTWPVOHETB-NRFANRHFSA-N 0 0 414.977 4.913 40 0 HJABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4c(C)cccc4C)ccc32)cc1 ZINC000223374329 568546955 /nfs/dbraw/zinc/54/69/55/568546955.db2.gz CNPDRDKPKDWSMI-UHFFFAOYSA-N 0 0 420.534 4.616 40 0 HJABRN COC(=O)c1ccc(N[C@@H](C)c2ccccc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223410942 568547929 /nfs/dbraw/zinc/54/79/29/568547929.db2.gz DJWDAVQIEPEZCZ-KRWDZBQOSA-N 0 0 424.522 4.756 40 0 HJABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223418929 568548356 /nfs/dbraw/zinc/54/83/56/568548356.db2.gz HCHRLDQXBKZDJV-QFIPXVFZSA-N 0 0 424.928 4.975 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC(C)(C)C)cc1 ZINC000223421330 568548525 /nfs/dbraw/zinc/54/85/25/568548525.db2.gz RGRXIXVJJVFGBY-UHFFFAOYSA-N 0 0 404.532 4.571 40 0 HJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 ZINC000223429609 568548856 /nfs/dbraw/zinc/54/88/56/568548856.db2.gz OMKWTBSWKHQLST-YADHBBJMSA-N 0 0 406.555 4.645 40 0 HJABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223472055 568549916 /nfs/dbraw/zinc/54/99/16/568549916.db2.gz VBQHFHKUNWCKCT-XMMPIXPASA-N 0 0 404.485 4.540 40 0 HJABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223472309 568549926 /nfs/dbraw/zinc/54/99/26/568549926.db2.gz CBKYKOJGTMIYTD-HSZRJFAPSA-N 0 0 424.903 4.885 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccn1 ZINC000223551526 568551558 /nfs/dbraw/zinc/55/15/58/568551558.db2.gz DYZFTPBDWVDEDX-XZOQPEGZSA-N 0 0 412.518 4.909 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccccc1 ZINC000223609417 568553251 /nfs/dbraw/zinc/55/32/51/568553251.db2.gz SIFBDYRPZZCMED-QFIPXVFZSA-N 0 0 412.599 4.811 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000223686595 568556142 /nfs/dbraw/zinc/55/61/42/568556142.db2.gz QEWSMRQQHGBWLS-XMMPIXPASA-N 0 0 424.585 4.714 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl ZINC000223700850 568556637 /nfs/dbraw/zinc/55/66/37/568556637.db2.gz VNRZKBWSGFKFDM-QFIPXVFZSA-N 0 0 414.977 4.915 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C ZINC000223710760 568556932 /nfs/dbraw/zinc/55/69/32/568556932.db2.gz XMQSTWPWBHKUCQ-QHCPKHFHSA-N 0 0 408.586 4.611 40 0 HJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223719026 568557281 /nfs/dbraw/zinc/55/72/81/568557281.db2.gz FUFSOVYMKXFONA-GOSISDBHSA-N 0 0 414.977 4.949 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223730701 568557641 /nfs/dbraw/zinc/55/76/41/568557641.db2.gz XPPPBIWJGIXTNJ-DEOSSOPVSA-N 0 0 408.586 4.960 40 0 HJABRN Cc1cc(C)n(Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)n1 ZINC000223739349 568557843 /nfs/dbraw/zinc/55/78/43/568557843.db2.gz QDVCNVFKVMMSBK-UHFFFAOYSA-N 0 0 405.542 4.655 40 0 HJABRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000223746717 568558035 /nfs/dbraw/zinc/55/80/35/568558035.db2.gz CAPNJUQZQCGTGL-QZTJIDSGSA-N 0 0 401.944 4.982 40 0 HJABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000223754844 568558096 /nfs/dbraw/zinc/55/80/96/568558096.db2.gz SMHRZEYVRBYELN-SFTDATJTSA-N 0 0 406.555 4.824 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223763100 568558410 /nfs/dbraw/zinc/55/84/10/568558410.db2.gz ZJGVVOLNCIDLMG-SFHVURJKSA-N 0 0 414.977 4.949 40 0 HJABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 ZINC000223793338 568559308 /nfs/dbraw/zinc/55/93/08/568559308.db2.gz ZQEMNSRKPABHNS-FCHUYYIVSA-N 0 0 406.555 4.613 40 0 HJABRN Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223804905 568559528 /nfs/dbraw/zinc/55/95/28/568559528.db2.gz HQQOBZMGNUPAOQ-NRFANRHFSA-N 0 0 406.570 4.712 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223814659 568559776 /nfs/dbraw/zinc/55/97/76/568559776.db2.gz GEQJZEYXPHUOHJ-NRFANRHFSA-N 0 0 418.940 4.745 40 0 HJABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000223815086 568559887 /nfs/dbraw/zinc/55/98/87/568559887.db2.gz JKRRTHXHFQMBMB-SFHVURJKSA-N 0 0 412.961 4.749 40 0 HJABRN C[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223840826 568560463 /nfs/dbraw/zinc/56/04/63/568560463.db2.gz MEKODHPYMZBYTG-LWJGVMBGSA-N 0 0 405.519 4.508 40 0 HJABRN CCOc1cccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)c1 ZINC000223848666 568560799 /nfs/dbraw/zinc/56/07/99/568560799.db2.gz RBJIALVNXXLGSA-JCMHNJIXSA-N 0 0 420.534 4.543 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223895389 568562337 /nfs/dbraw/zinc/56/23/37/568562337.db2.gz JNDFJJRBYMYPEW-IBGZPJMESA-N 0 0 424.560 4.797 40 0 HJABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(OC(C)C)c2)c1 ZINC000223943073 568563779 /nfs/dbraw/zinc/56/37/79/568563779.db2.gz ANGQBUXYCFMYGX-UHFFFAOYSA-N 0 0 424.522 4.835 40 0 HJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H](C)c3ccccc3)ccc2C)c1 ZINC000223942412 568563851 /nfs/dbraw/zinc/56/38/51/568563851.db2.gz OMYUOJVFLMLBEM-LJQANCHMSA-N 0 0 422.550 4.638 40 0 HJABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000223945446 568563975 /nfs/dbraw/zinc/56/39/75/568563975.db2.gz HYOUNYZPLXXTED-SFHVURJKSA-N 0 0 408.523 4.595 40 0 HJABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(OC(C)C)c3)c2)c1 ZINC000223950831 568564195 /nfs/dbraw/zinc/56/41/95/568564195.db2.gz NOQFJUQYZLVCPO-UHFFFAOYSA-N 0 0 424.522 4.835 40 0 HJABRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)cc1 ZINC000223959179 568564539 /nfs/dbraw/zinc/56/45/39/568564539.db2.gz IQKSEDAIABRJPM-RTBURBONSA-N 0 0 408.552 4.587 40 0 HJABRN Cc1ccccc1[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C(C)C ZINC000223971092 568564877 /nfs/dbraw/zinc/56/48/77/568564877.db2.gz DZFRXEIRGXXNLY-HSZRJFAPSA-N 0 0 422.550 4.923 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)cc1 ZINC000223971967 568564893 /nfs/dbraw/zinc/56/48/93/568564893.db2.gz QKBBSEGUWWCKQN-GOSISDBHSA-N 0 0 408.523 4.595 40 0 HJABRN O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223975086 568565020 /nfs/dbraw/zinc/56/50/20/568565020.db2.gz VOYLTDGPHLKXMF-UHFFFAOYSA-N 0 0 404.850 4.532 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223976060 568565136 /nfs/dbraw/zinc/56/51/36/568565136.db2.gz 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Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc(F)cc3)ccc2C)cc1 ZINC000224307115 568577346 /nfs/dbraw/zinc/57/73/46/568577346.db2.gz OFGROTFYCIVWGE-UHFFFAOYSA-N 0 0 412.486 4.520 40 0 HJABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1c2ccccc2C[C@@H]1C ZINC000224320242 568577885 /nfs/dbraw/zinc/57/78/85/568577885.db2.gz GQDSERQXEGCKSF-UQBPGWFLSA-N 0 0 406.570 4.680 40 0 HJABRN COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COCc1ccccc1 ZINC000224352690 568578851 /nfs/dbraw/zinc/57/88/51/568578851.db2.gz KMLCDMIMDRUCFV-UHFFFAOYSA-N 0 0 407.466 4.682 40 0 HJABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000224355104 568579077 /nfs/dbraw/zinc/57/90/77/568579077.db2.gz JKSWRUZKJRXRQQ-OAQYLSRUSA-N 0 0 416.562 4.560 40 0 HJABRN O=C(NCCOc1ccc(F)cc1)c1ccc(OCCSc2ccccc2)cc1 ZINC000224381761 568579697 /nfs/dbraw/zinc/57/96/97/568579697.db2.gz MPRFMDZHBHAQNJ-UHFFFAOYSA-N 0 0 411.498 4.806 40 0 HJABRN CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cccc(C)c1 ZINC000224388354 568579899 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COc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(C)c2)cc1 ZINC000408699988 557719204 /nfs/dbraw/zinc/71/92/04/557719204.db2.gz YBEZRGSMKCDLSM-UHFFFAOYSA-N 0 0 402.429 4.643 40 0 HJABRN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)c1C ZINC000408701998 557725386 /nfs/dbraw/zinc/72/53/86/557725386.db2.gz JAZPNNJCDMDEDH-UHFFFAOYSA-N 0 0 420.962 4.630 40 0 HJABRN Cc1cc2oc(=O)cc(C)c2cc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000006922350 557729989 /nfs/dbraw/zinc/72/99/89/557729989.db2.gz CJDZPHZDIOAGFL-ZDUSSCGKSA-N 0 0 416.271 4.578 40 0 HJABRN CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)CC1 ZINC000408708792 557735223 /nfs/dbraw/zinc/73/52/23/557735223.db2.gz STIPOLLFLFKVNW-HDYDNRTBSA-N 0 0 414.590 4.938 40 0 HJABRN O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408708287 557735501 /nfs/dbraw/zinc/73/55/01/557735501.db2.gz XGWZDXSTXKEBCU-UHFFFAOYSA-N 0 0 413.304 4.880 40 0 HJABRN Cc1cccc(N2C[C@H](C(=O)NCC(c3ccccc3)c3ccccc3)CC2=O)c1C ZINC000408709144 557736221 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558262161 /nfs/dbraw/zinc/26/21/61/558262161.db2.gz HDGUKMLLNVKBEW-DEDYPNTBSA-N 0 0 418.474 4.523 40 0 HJABRN O=C(C1CCCC1)N1CCC[C@H](c2ccc3c(NCc4ccc(F)cc4)n[nH]c3n2)C1 ZINC000019742774 558263373 /nfs/dbraw/zinc/26/33/73/558263373.db2.gz SIOFKXMRNBWWLU-SFHVURJKSA-N 0 0 421.520 4.605 40 0 HJABRN COc1cccc(-c2nnc(CSc3nnc(COc4cc(C)cc(C)c4)o3)o2)c1 ZINC000019928364 558308589 /nfs/dbraw/zinc/30/85/89/558308589.db2.gz ULMFJJBEFFOHTE-UHFFFAOYSA-N 0 0 424.482 4.616 40 0 HJABRN COc1ccc(Cl)cc1-c1nc(SCc2nnc(-c3ccc(F)cc3)o2)n[nH]1 ZINC000019929207 558309327 /nfs/dbraw/zinc/30/93/27/558309327.db2.gz VEMWKQWWALNVGT-UHFFFAOYSA-N 0 0 417.853 4.615 40 0 HJABRN COc1ccc(OCc2nnc(SCc3cccc(Br)c3)o2)cc1 ZINC000019929348 558309528 /nfs/dbraw/zinc/30/95/28/558309528.db2.gz YAZTUKGLKLBDSQ-UHFFFAOYSA-N 0 0 407.289 4.712 40 0 HJABRN COc1ccc([C@H](C)NC(=O)Cn2c(-c3cccs3)cc3cccnc32)cc1OC ZINC000012118272 558329873 /nfs/dbraw/zinc/32/98/73/558329873.db2.gz OLUBHGUPBOWOMY-HNNXBMFYSA-N 0 0 421.522 4.659 40 0 HJABRN 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CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(OC)cc1 ZINC000020458215 558371157 /nfs/dbraw/zinc/37/11/57/558371157.db2.gz BWSLGFOTVWPOHG-MRXNPFEDSA-N 0 0 412.711 4.757 40 0 HJABRN COC(=O)c1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000020459740 558372154 /nfs/dbraw/zinc/37/21/54/558372154.db2.gz CJSPZCMLFBDDJY-UHFFFAOYSA-N 0 0 407.491 4.897 40 0 HJABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2I)cc1 ZINC000020461043 558373070 /nfs/dbraw/zinc/37/30/70/558373070.db2.gz HBOZNVZNYYQLHA-GOSISDBHSA-N 0 0 423.294 4.817 40 0 HJABRN Cc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000020483633 558375692 /nfs/dbraw/zinc/37/56/92/558375692.db2.gz PUCCMWCDDJXPGK-DEOSSOPVSA-N 0 0 420.534 4.634 40 0 HJABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c(Cl)c1 ZINC000020490898 558377994 /nfs/dbraw/zinc/37/79/94/558377994.db2.gz IKESYZAFODUOGO-GFCCVEGCSA-N 0 0 423.918 4.653 40 0 HJABRN COc1ccc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cc1OC ZINC000012329277 558384045 /nfs/dbraw/zinc/38/40/45/558384045.db2.gz 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CCOc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C(C)C)nn3c2C)cc1 ZINC000020797820 558414639 /nfs/dbraw/zinc/41/46/39/558414639.db2.gz KDMZQRZSVAAJRH-UHFFFAOYSA-N 0 0 415.497 4.874 40 0 HJABRN CCc1ccc2nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)nc(C)c2c1 ZINC000020797976 558414819 /nfs/dbraw/zinc/41/48/19/558414819.db2.gz DUYXUNIGLZUEHL-UHFFFAOYSA-N 0 0 419.916 4.880 40 0 HJABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2cccc(F)c2)cc1OCC ZINC000022072189 558461544 /nfs/dbraw/zinc/46/15/44/558461544.db2.gz ISUJPRRZZMWKTH-UHFFFAOYSA-N 0 0 423.488 4.925 40 0 HJABRN COc1cccc(NC(=O)c2cccnc2Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000022072124 558461556 /nfs/dbraw/zinc/46/15/56/558461556.db2.gz RGRPLMGSTOFTBU-UHFFFAOYSA-N 0 0 403.360 4.985 40 0 HJABRN COc1cccc(Nc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000022072885 558461966 /nfs/dbraw/zinc/46/19/66/558461966.db2.gz BVHAXCTXAPNUAI-UHFFFAOYSA-N 0 0 403.360 4.985 40 0 HJABRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235496 558470562 /nfs/dbraw/zinc/47/05/62/558470562.db2.gz 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568544357 /nfs/dbraw/zinc/54/43/57/568544357.db2.gz CLSLONAPOMWCGN-OAQYLSRUSA-N 0 0 414.977 4.913 40 0 HJABRN CCc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000223336464 568545635 /nfs/dbraw/zinc/54/56/35/568545635.db2.gz LYDNWLGAYXNXOL-GOSISDBHSA-N 0 0 422.550 4.565 40 0 HJABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223355048 568546150 /nfs/dbraw/zinc/54/61/50/568546150.db2.gz IDJNOBIIQLCLGO-DHIUTWEWSA-N 0 0 414.534 4.946 40 0 HJABRN Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223356331 568546311 /nfs/dbraw/zinc/54/63/11/568546311.db2.gz KBVGLQMBPINUDM-YADHBBJMSA-N 0 0 418.497 4.777 40 0 HJABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223359453 568546335 /nfs/dbraw/zinc/54/63/35/568546335.db2.gz VVRAJZMJAFOGEQ-XMMPIXPASA-N 0 0 420.940 4.789 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c(C)c1C ZINC000223383409 568547156 /nfs/dbraw/zinc/54/71/56/568547156.db2.gz JYHCPXFJXPEZHF-QGZVFWFLSA-N 0 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ZINC000223474361 568549919 /nfs/dbraw/zinc/54/99/19/568549919.db2.gz JWEDYNKPXJFOJW-PKTZIBPZSA-N 0 0 412.518 4.909 40 0 HJABRN Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1C ZINC000223506410 568550637 /nfs/dbraw/zinc/55/06/37/568550637.db2.gz NASKVSWENMZJDZ-MRXNPFEDSA-N 0 0 418.584 4.609 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccncc1 ZINC000223511659 568550669 /nfs/dbraw/zinc/55/06/69/568550669.db2.gz QJRIWRQOPSZRQA-PKTZIBPZSA-N 0 0 412.518 4.909 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccccn1 ZINC000223530768 568551031 /nfs/dbraw/zinc/55/10/31/568551031.db2.gz ORHNJIUANOVOCI-VXKWHMMOSA-N 0 0 403.555 4.566 40 0 HJABRN CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223594108 568552698 /nfs/dbraw/zinc/55/26/98/568552698.db2.gz FDUYKXRSYPTXRA-UWJYYQICSA-N 0 0 400.950 4.605 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 ZINC000223639932 568554482 /nfs/dbraw/zinc/55/44/82/568554482.db2.gz 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HJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000015992594 558765887 /nfs/dbraw/zinc/76/58/87/558765887.db2.gz IGBRGUAGWROCCI-UHFFFAOYSA-N 0 0 408.523 4.689 40 0 HJABRN COc1ccc(C(=O)n2c3cc4c(cc3nc2-c2ccc(Cl)cc2)OCCO4)cc1 ZINC000016216391 558779311 /nfs/dbraw/zinc/77/93/11/558779311.db2.gz FTNVYOAFGRAUIF-UHFFFAOYSA-N 0 0 420.852 4.825 40 0 HJABRN Fc1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccc(Cl)cc2)c(F)c1 ZINC000016429848 558791174 /nfs/dbraw/zinc/79/11/74/558791174.db2.gz AKJBCUJTSNPPNZ-UHFFFAOYSA-N 0 0 410.815 4.595 40 0 HJABRN O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1)c1cccs1 ZINC000016449289 558791995 /nfs/dbraw/zinc/79/19/95/558791995.db2.gz ZLQZKYDDWHUNOX-UHFFFAOYSA-N 0 0 415.927 4.781 40 0 HJABRN CCO[C@H]1Oc2ccccc2-c2oc(=O)c(-c3cc(=O)oc4cc(C)ccc43)cc21 ZINC000016687968 558799975 /nfs/dbraw/zinc/79/99/75/558799975.db2.gz MHJBNTYOSNODCP-DEOSSOPVSA-N 0 0 402.402 4.816 40 0 HJABRN Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccccc2Cl)cc1 ZINC000016789148 558807035 /nfs/dbraw/zinc/80/70/35/558807035.db2.gz OHIXMSMGIOBSPJ-UHFFFAOYSA-N 0 0 401.919 4.940 40 0 HJABRN CCOc1ccc(CCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1OCC ZINC000038754454 558814295 /nfs/dbraw/zinc/81/42/95/558814295.db2.gz NLWIGVBGCYGRHZ-UHFFFAOYSA-N 0 0 415.530 4.529 40 0 HJABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000038771715 558815200 /nfs/dbraw/zinc/81/52/00/558815200.db2.gz DZKLVDRUEJEOAK-QXJBOHEXSA-N 0 0 414.549 4.855 40 0 HJABRN COCc1nn2c(ncc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccccc1 ZINC000038829699 558816383 /nfs/dbraw/zinc/81/63/83/558816383.db2.gz OOKGSBCCIQKNOB-UHFFFAOYSA-N 0 0 406.873 4.757 40 0 HJABRN COc1cc2ccccc2cc1C(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000017093002 558821415 /nfs/dbraw/zinc/82/14/15/558821415.db2.gz XOKNXQUASSFWPP-UHFFFAOYSA-N 0 0 422.440 4.901 40 0 HJABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000101000634 558824886 /nfs/dbraw/zinc/82/48/86/558824886.db2.gz CZNJUCWEUUULRC-FKBYEOEOSA-N 0 0 418.880 4.700 40 0 HJABRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(Cl)c3)C2=O)cc1 ZINC000101056839 558825917 /nfs/dbraw/zinc/82/59/17/558825917.db2.gz WNDKNSZFOUQZQR-VSKRKVRLSA-N 0 0 418.880 4.700 40 0 HJABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2c(C)cccc2C(C)C)cc1 ZINC000018079217 558830705 /nfs/dbraw/zinc/83/07/05/558830705.db2.gz KEFNQBBRXGSMMC-UHFFFAOYSA-N 0 0 416.587 4.720 40 0 HJABRN CC(C)(C)C(=O)N1CCC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 ZINC000019083345 558840423 /nfs/dbraw/zinc/84/04/23/558840423.db2.gz GVANSWBJSLJFTK-VNQPRFMTSA-N 0 0 414.516 4.969 40 0 HJABRN CC(C)C(=O)N1CCC[C@@](Cc2cccc(-c3cccs3)c2)(C(=O)NC2CC2)C1 ZINC000019085418 558841159 /nfs/dbraw/zinc/84/11/59/558841159.db2.gz QGYYDHNBLFHXHK-DEOSSOPVSA-N 0 0 410.583 4.501 40 0 HJABRN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)CCC3CCCC3)C1)N2 ZINC000019127708 558844944 /nfs/dbraw/zinc/84/49/44/558844944.db2.gz MTEDJVWDTAQFDN-OKZBNKHCSA-N 0 0 412.500 4.688 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2ccccc2)Cc2nc(C)ncc2-c2ccncc2)cc1 ZINC000019209192 558847890 /nfs/dbraw/zinc/84/78/90/558847890.db2.gz KCCGTFKVVPSUEB-UHFFFAOYSA-N 0 0 422.532 4.927 40 0 HJABRN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCc3nc4ccccc4s3)CC1)O2 ZINC000019218186 558850985 /nfs/dbraw/zinc/85/09/85/558850985.db2.gz FXFGZJPWPPLHKH-UHFFFAOYSA-N 0 0 420.534 4.564 40 0 HJABRN Cc1ccc2scc(CC(=O)N3CCC[C@H]3c3nnc(-c4ccccn4)o3)c2c1 ZINC000019220630 558851782 /nfs/dbraw/zinc/85/17/82/558851782.db2.gz XQNLGNUBVLTRMQ-SFHVURJKSA-N 0 0 404.495 4.561 40 0 HJABRN COCc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019239751 558858399 /nfs/dbraw/zinc/85/83/99/558858399.db2.gz JSBFYIAUCTXHDO-HSZRJFAPSA-N 0 0 416.525 4.669 40 0 HJABRN Cc1nc2ccccc2n1C[C@@H](C)C(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000019286758 558860557 /nfs/dbraw/zinc/86/05/57/558860557.db2.gz KVECPLFORZMVSL-MJGOQNOKSA-N 0 0 407.514 4.567 40 0 HJABRN Cc1nc2ccccc2n1C[C@H](C)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000019286760 558860715 /nfs/dbraw/zinc/86/07/15/558860715.db2.gz KVECPLFORZMVSL-PKOBYXMFSA-N 0 0 407.514 4.567 40 0 HJABRN CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@@H](NC(=O)Cc2ccccc2)C1 ZINC000019461650 558893716 /nfs/dbraw/zinc/89/37/16/558893716.db2.gz LUGDNRHQFKUVMS-NRFANRHFSA-N 0 0 407.945 4.957 40 0 HJABRN C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 ZINC000019462918 558894131 /nfs/dbraw/zinc/89/41/31/558894131.db2.gz JXUSBFUBPTVGAD-DYESRHJHSA-N 0 0 413.525 4.644 40 0 HJABRN O=S(=O)(N=[S@@](=O)(c1ccccc1)[C@H](F)c1ccc(F)cc1)c1ccccc1 ZINC000071256997 558896242 /nfs/dbraw/zinc/89/62/42/558896242.db2.gz IHWFQFUWDRMVGN-AFMDSPMNSA-N 0 0 407.463 4.710 40 0 HJABRN CCc1ccccc1Nc1nc([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c2sccn12 ZINC000019523084 558904209 /nfs/dbraw/zinc/90/42/09/558904209.db2.gz SWQIFVILCIOVDA-HKUYNNGSSA-N 0 0 424.570 4.587 40 0 HJABRN CCCc1ncc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cn1 ZINC000019525771 558907256 /nfs/dbraw/zinc/90/72/56/558907256.db2.gz PTTYWFKAYKNPKY-VWLOTQADSA-N 0 0 403.526 4.594 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000019554170 558917252 /nfs/dbraw/zinc/91/72/52/558917252.db2.gz LCTGIGUJNNBXRB-HNNXBMFYSA-N 0 0 417.431 4.539 40 0 HJABRN Cc1scc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)c1C ZINC000019561838 558922557 /nfs/dbraw/zinc/92/25/57/558922557.db2.gz DIHSBEWGOYQMIW-UHFFFAOYSA-N 0 0 411.575 4.638 40 0 HJABRN COc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)s1 ZINC000019564143 558924309 /nfs/dbraw/zinc/92/43/09/558924309.db2.gz NTZJABXCYKHYPQ-NSHDSACASA-N 0 0 407.442 4.559 40 0 HJABRN Cc1noc2nc(C3CCN(C(=O)Cc4ccccc4F)CC3)cc(C(F)(F)F)c12 ZINC000019564800 558924821 /nfs/dbraw/zinc/92/48/21/558924821.db2.gz WXFSVWBTFBZRBD-UHFFFAOYSA-N 0 0 421.394 4.638 40 0 HJABRN Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000019570301 558929131 /nfs/dbraw/zinc/92/91/31/558929131.db2.gz DPQKEEZEKHNMTB-HXUWFJFHSA-N 0 0 416.525 4.663 40 0 HJABRN Cc1cc(C)n(Cc2c(C)onc2C(=O)Nc2ccc3nc(C(C)C)sc3c2)n1 ZINC000019574357 558931950 /nfs/dbraw/zinc/93/19/50/558931950.db2.gz QZCRXSSBBMYBOU-UHFFFAOYSA-N 0 0 409.515 4.830 40 0 HJABRN C[C@@H](C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1)c1ccccc1 ZINC000019574986 558932526 /nfs/dbraw/zinc/93/25/26/558932526.db2.gz NFQWHTRZMQWNRJ-SPYBWZPUSA-N 0 0 420.479 4.700 40 0 HJABRN COc1ccc(Nc2ncccc2C(=O)Nc2nc(-c3ccccn3)cs2)cc1 ZINC000019660319 558951623 /nfs/dbraw/zinc/95/16/23/558951623.db2.gz SRVXIEBAQLCTHQ-UHFFFAOYSA-N 0 0 403.467 4.605 40 0 HJABRN Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)Cn3ccnc3C(C)C)C2)n1 ZINC000072354201 558951626 /nfs/dbraw/zinc/95/16/26/558951626.db2.gz QEDNORIJDFIUSB-QHCPKHFHSA-N 0 0 416.569 4.707 40 0 HJABRN Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ccnc(-c4ccc(Cl)cc4)n3)ccc2[nH]1 ZINC000072355858 558952764 /nfs/dbraw/zinc/95/27/64/558952764.db2.gz IRVPRAQGZVOQFT-OAQYLSRUSA-N 0 0 417.900 4.959 40 0 HJABRN Cc1cccc(C2(C(=O)N[C@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)c1 ZINC000019662272 558953205 /nfs/dbraw/zinc/95/32/05/558953205.db2.gz GDCQHNPNCVVVCX-LJQANCHMSA-N 0 0 405.542 4.851 40 0 HJABRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C1(c2ccccc2F)CCOCC1 ZINC000019662224 558953294 /nfs/dbraw/zinc/95/32/94/558953294.db2.gz OKOJLPKGKAJYIW-QGZVFWFLSA-N 0 0 409.505 4.682 40 0 HJABRN COc1ccc(NC(=O)CN2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357660 558953461 /nfs/dbraw/zinc/95/34/61/558953461.db2.gz NHUWVTYEMDRRID-DEOSSOPVSA-N 0 0 419.500 4.596 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357973 558953727 /nfs/dbraw/zinc/95/37/27/558953727.db2.gz MMWUHNDHJKJUCS-DEOSSOPVSA-N 0 0 404.485 4.726 40 0 HJABRN Fc1ccc(-c2nc3sccn3c2CN(Cc2ccccn2)C[C@H]2CCCO2)cc1 ZINC000019663013 558954022 /nfs/dbraw/zinc/95/40/22/558954022.db2.gz CRUNDFRCVZJROY-HXUWFJFHSA-N 0 0 422.529 4.778 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 ZINC000072358916 558954571 /nfs/dbraw/zinc/95/45/71/558954571.db2.gz BZUAPKBZFVSVBF-LJQANCHMSA-N 0 0 421.928 4.754 40 0 HJABRN O=C(COc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359481 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411.505 4.768 40 0 HJABRN O=C(C1CCC1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294143 558865721 /nfs/dbraw/zinc/86/57/21/558865721.db2.gz ARBOLYNKNJEAKD-GOSISDBHSA-N 0 0 417.488 4.537 40 0 HJABRN O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 ZINC000019335702 558869938 /nfs/dbraw/zinc/86/99/38/558869938.db2.gz SMOLSLPZOBWFKP-CYBMUJFWSA-N 0 0 421.394 4.506 40 0 HJABRN O=C(C1CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 ZINC000019373072 558880100 /nfs/dbraw/zinc/88/01/00/558880100.db2.gz OHXACVUSOLODTP-HXUWFJFHSA-N 0 0 413.525 4.788 40 0 HJABRN O=C(c1ccc(F)c(F)c1)N1CCC(c2nnc(-c3nccc4ccccc43)o2)CC1 ZINC000019376523 558882461 /nfs/dbraw/zinc/88/24/61/558882461.db2.gz ODKFXOPCUXPAIQ-UHFFFAOYSA-N 0 0 420.419 4.583 40 0 HJABRN Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000055601722 558883666 /nfs/dbraw/zinc/88/36/66/558883666.db2.gz HSXDWAIPLDKRON-UHFFFAOYSA-N 0 0 400.887 4.702 40 0 HJABRN CC(C)CC(=O)N1CC[C@@](Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)C1 ZINC000019446220 558886086 /nfs/dbraw/zinc/88/60/86/558886086.db2.gz XHAYWXQKJFASMA-DEOSSOPVSA-N 0 0 412.599 4.747 40 0 HJABRN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cnc(C(C)C)nc1)CC2 ZINC000019454114 558891316 /nfs/dbraw/zinc/89/13/16/558891316.db2.gz GUQVJHXLNYGNNZ-XMMPIXPASA-N 0 0 403.526 4.765 40 0 HJABRN C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 ZINC000019462916 558894105 /nfs/dbraw/zinc/89/41/05/558894105.db2.gz JXUSBFUBPTVGAD-UWJYYQICSA-N 0 0 413.525 4.644 40 0 HJABRN CCCC(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 ZINC000019501305 558899233 /nfs/dbraw/zinc/89/92/33/558899233.db2.gz UGBQHXZGMFJSCU-SFHVURJKSA-N 0 0 419.504 4.927 40 0 HJABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019520774 558902076 /nfs/dbraw/zinc/90/20/76/558902076.db2.gz RBCCALCZSYUCQT-DJIMGWMZSA-N 0 0 424.515 4.938 40 0 HJABRN CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 ZINC000019525551 558906910 /nfs/dbraw/zinc/90/69/10/558906910.db2.gz NVLBHJNRFTYJLZ-HXUWFJFHSA-N 0 0 422.504 4.828 40 0 HJABRN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 ZINC000019525586 558906933 /nfs/dbraw/zinc/90/69/33/558906933.db2.gz IMBKMLLVMUAHFE-NRFANRHFSA-N 0 0 404.489 4.998 40 0 HJABRN CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)Cc2cccc(C)c2)n1 ZINC000019525549 558906940 /nfs/dbraw/zinc/90/69/40/558906940.db2.gz VBUJCQBUCHTJJB-OAQYLSRUSA-N 0 0 418.541 4.997 40 0 HJABRN CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 ZINC000019525532 558906957 /nfs/dbraw/zinc/90/69/57/558906957.db2.gz RVCDZDLMMVDPGN-NRFANRHFSA-N 0 0 418.541 4.997 40 0 HJABRN CCOCc1cc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)ccc1OC ZINC000019531173 558911744 /nfs/dbraw/zinc/91/17/44/558911744.db2.gz TXYUFFLDHWZDGK-UHFFFAOYSA-N 0 0 411.477 4.661 40 0 HJABRN CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cc1 ZINC000019533122 558913012 /nfs/dbraw/zinc/91/30/12/558913012.db2.gz SZIJRNSQYQEFCU-HSZRJFAPSA-N 0 0 416.525 4.542 40 0 HJABRN Cc1c(-c2cccs2)n[nH]c1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000019555131 558917903 /nfs/dbraw/zinc/91/79/03/558917903.db2.gz LGQGGFDPCGQMOD-IBGZPJMESA-N 0 0 411.527 4.735 40 0 HJABRN Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)s1 ZINC000019560409 558921393 /nfs/dbraw/zinc/92/13/93/558921393.db2.gz UCMYPSZVRATPLC-CYBMUJFWSA-N 0 0 422.476 4.604 40 0 HJABRN Cc1noc2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc(C(F)F)c12 ZINC000019563947 558924138 /nfs/dbraw/zinc/92/41/38/558924138.db2.gz DQTGCJNEUPNSGZ-CQSZACIVSA-N 0 0 403.404 4.557 40 0 HJABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 ZINC000019568785 558927883 /nfs/dbraw/zinc/92/78/83/558927883.db2.gz SIVPBDNRCHIOMZ-LBPRGKRZSA-N 0 0 422.407 4.681 40 0 HJABRN COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1Cl ZINC000058826377 558930519 /nfs/dbraw/zinc/93/05/19/558930519.db2.gz DGZBMSFWMPYXMF-UHFFFAOYSA-N 0 0 403.906 4.824 40 0 HJABRN CC(C)c1ccc(C(=O)N2CCN(c3c4nc(N)sc4ccc3Cl)CC2)cc1 ZINC000072230127 558932086 /nfs/dbraw/zinc/93/20/86/558932086.db2.gz OAVHYFMZTCIOQX-UHFFFAOYSA-N 0 0 414.962 4.618 40 0 HJABRN CCOC(=O)c1c2c(sc1NC(=O)CSCc1ccc(F)cc1)CCCC2 ZINC000059170342 558932215 /nfs/dbraw/zinc/93/22/15/558932215.db2.gz POEIDXADRFIRJW-UHFFFAOYSA-N 0 0 407.532 4.815 40 0 HJABRN Cc1ncsc1-c1nnc([C@@H]2CCCCN2C(=O)c2cccc3c(C)c(C)[nH]c32)o1 ZINC000019576895 558932939 /nfs/dbraw/zinc/93/29/39/558932939.db2.gz IFAMWDBIESACDU-KRWDZBQOSA-N 0 0 421.526 4.967 40 0 HJABRN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)C4CCCC4)CC3)c12 ZINC000072336014 558937215 /nfs/dbraw/zinc/93/72/15/558937215.db2.gz IAEBZCBCQPDHEG-UHFFFAOYSA-N 0 0 410.562 4.723 40 0 HJABRN CCC(CC)C(=O)N1CCC[C@@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 ZINC000072338421 558938248 /nfs/dbraw/zinc/93/82/48/558938248.db2.gz RZTOBONDYLUSQP-OAQYLSRUSA-N 0 0 421.589 4.671 40 0 HJABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000019591021 558941141 /nfs/dbraw/zinc/94/11/41/558941141.db2.gz WRIZDQDXJMDHSU-NLFFAJNJSA-N 0 0 422.594 4.503 40 0 HJABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000019591020 558941223 /nfs/dbraw/zinc/94/12/23/558941223.db2.gz WRIZDQDXJMDHSU-CJFMBICVSA-N 0 0 422.594 4.503 40 0 HJABRN Cc1ccccc1OCCC(=O)NCc1cccc(-c2n[nH]cc2-c2ccncc2)c1 ZINC000072345001 558941524 /nfs/dbraw/zinc/94/15/24/558941524.db2.gz MHDOCBMWLOPOBT-UHFFFAOYSA-N 0 0 412.493 4.532 40 0 HJABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(-c2ccccc2)s1 ZINC000072346738 558943456 /nfs/dbraw/zinc/94/34/56/558943456.db2.gz HANBDFAZTUBZNG-HXUWFJFHSA-N 0 0 402.523 4.901 40 0 HJABRN Cc1nc(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(-c2ccccc2)s1 ZINC000072346739 558943533 /nfs/dbraw/zinc/94/35/33/558943533.db2.gz HANBDFAZTUBZNG-FQEVSTJZSA-N 0 0 402.523 4.901 40 0 HJABRN CS(=O)(=O)Nc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000061341942 558945145 /nfs/dbraw/zinc/94/51/45/558945145.db2.gz SQYUMEPMEATSSJ-UHFFFAOYSA-N 0 0 416.886 4.756 40 0 HJABRN O=C(Nc1nnc(CCc2ccccc2)s1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000019655025 558948414 /nfs/dbraw/zinc/94/84/14/558948414.db2.gz IINRUKCQYZBXNS-UHFFFAOYSA-N 0 0 421.913 4.686 40 0 HJABRN Cc1sc(NC(=O)CCn2cnc3ccccc3c2=O)nc1-c1cccc(Cl)c1 ZINC000019655372 558948609 /nfs/dbraw/zinc/94/86/09/558948609.db2.gz SGGLRKIAWSJYBD-UHFFFAOYSA-N 0 0 424.913 4.511 40 0 HJABRN Cc1nnc(N2CC[C@@H](c3c4ccccc4sc3C(=O)N(C)C)C2)c2ccccc12 ZINC000072352345 558948811 /nfs/dbraw/zinc/94/88/11/558948811.db2.gz RMEDOIMZGLQXOR-MRXNPFEDSA-N 0 0 416.550 4.849 40 0 HJABRN Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3ccc(Nc4ccc(F)cn4)cn3)c2c1 ZINC000072353249 558950199 /nfs/dbraw/zinc/95/01/99/558950199.db2.gz YRDSTOGFKNAYQM-FQEVSTJZSA-N 0 0 416.460 4.521 40 0 HJABRN COc1ccc(C2(C(=O)N[C@@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)cc1 ZINC000019661490 558952503 /nfs/dbraw/zinc/95/25/03/558952503.db2.gz ZUHOPJFJGYAAER-SFHVURJKSA-N 0 0 421.541 4.551 40 0 HJABRN C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NCCc1nc(C(C)(C)C)cs1 ZINC000019661605 558952690 /nfs/dbraw/zinc/95/26/90/558952690.db2.gz QLAUXRZFLKNLSF-LBPRGKRZSA-N 0 0 400.466 4.586 40 0 HJABRN Cc1cccc(C2(C(=O)N[C@@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)c1 ZINC000019662274 558953264 /nfs/dbraw/zinc/95/32/64/558953264.db2.gz GDCQHNPNCVVVCX-IBGZPJMESA-N 0 0 405.542 4.851 40 0 HJABRN Cc1cccc(C2(C(=O)Nc3nnc([C@@H](C)Oc4ccccc4)s3)CCOCC2)c1 ZINC000019662540 558953429 /nfs/dbraw/zinc/95/34/29/558953429.db2.gz STMHPOCKHXPCJO-QGZVFWFLSA-N 0 0 423.538 4.673 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 ZINC000072357969 558953709 /nfs/dbraw/zinc/95/37/09/558953709.db2.gz SDSXGFZCFVVBJB-DEOSSOPVSA-N 0 0 404.485 4.726 40 0 HJABRN O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072358207 558953894 /nfs/dbraw/zinc/95/38/94/558953894.db2.gz LGQUDOIHBMAVTO-HSZRJFAPSA-N 0 0 408.448 4.693 40 0 HJABRN O=C(c1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358714 558954325 /nfs/dbraw/zinc/95/43/25/558954325.db2.gz GQIQMXXGDAUNEE-KRWDZBQOSA-N 0 0 412.415 4.577 40 0 HJABRN O=C(c1cccnc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358713 558954384 /nfs/dbraw/zinc/95/43/84/558954384.db2.gz GQIQMXXGDAUNEE-QGZVFWFLSA-N 0 0 412.415 4.577 40 0 HJABRN NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1 ZINC000072370499 558956986 /nfs/dbraw/zinc/95/69/86/558956986.db2.gz HVXFLZXLLYRICO-SFHVURJKSA-N 0 0 424.541 4.696 40 0 HJABRN COC(C)(C)C(=O)N1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000019688490 558957848 /nfs/dbraw/zinc/95/78/48/558957848.db2.gz SSUWWVYPPNCQBO-LJQANCHMSA-N 0 0 406.448 4.780 40 0 HJABRN COc1ccccc1C[C@@H](C)Nc1cc(Cn2c(C)nc3ccccc32)nc(C)n1 ZINC000072373231 558961094 /nfs/dbraw/zinc/96/10/94/558961094.db2.gz DRPDUAAIZNPDCM-MRXNPFEDSA-N 0 0 401.514 4.543 40 0 HJABRN CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)CCCc4ccc(F)cc4)C3)ccc12 ZINC000072374478 558962240 /nfs/dbraw/zinc/96/22/40/558962240.db2.gz QOHWJWYZINLREZ-SFHVURJKSA-N 0 0 423.536 4.646 40 0 HJABRN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000019694687 558963369 /nfs/dbraw/zinc/96/33/69/558963369.db2.gz OURSWDSSFPCCQZ-LJQANCHMSA-N 0 0 420.944 4.883 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/nfs/dbraw/zinc/33/89/54/558338954.db2.gz HWIHGUOAGQLCHT-UHFFFAOYSA-N 0 0 416.271 4.771 40 0 HJABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 ZINC000020152385 558341335 /nfs/dbraw/zinc/34/13/35/558341335.db2.gz WZMAZKGYKMPNHH-UHFFFAOYSA-N 0 0 406.463 4.620 40 0 HJABRN COc1cc(CNc2ncc(-c3onc(C)c3C)c(-c3ccco3)n2)cc(OC)c1 ZINC000012186827 558345990 /nfs/dbraw/zinc/34/59/90/558345990.db2.gz OCYBELNXZNATEL-UHFFFAOYSA-N 0 0 406.442 4.638 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@H](c3cc4c(ccc(OC)c4C)cn3)C2)cc1 ZINC000012187871 558346800 /nfs/dbraw/zinc/34/68/00/558346800.db2.gz AWTAYDLKQKCNGG-FQEVSTJZSA-N 0 0 404.510 4.509 40 0 HJABRN COc1cccc(C2=N/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)c1 ZINC000020274125 558353216 /nfs/dbraw/zinc/35/32/16/558353216.db2.gz GOCBPDYUZJIXND-BKUYFWCQSA-N 0 0 415.445 4.627 40 0 HJABRN CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(C(=O)C4CCCC4)CC3)cc2n1 ZINC000012220445 558355490 /nfs/dbraw/zinc/35/54/90/558355490.db2.gz XKBOCKPGVUDPTR-UHFFFAOYSA-N 0 0 408.468 4.768 40 0 HJABRN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCCC[C@H]1c1cnn(C)c1 ZINC000012232571 558358273 /nfs/dbraw/zinc/35/82/73/558358273.db2.gz IQRXBTVRHCIYEH-KRWDZBQOSA-N 0 0 416.884 4.934 40 0 HJABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)c2csc3c2CCCC3)C1 ZINC000012238755 558359342 /nfs/dbraw/zinc/35/93/42/558359342.db2.gz QBGHVFDUCDTMAC-FQEVSTJZSA-N 0 0 418.566 4.922 40 0 HJABRN CC1=C(NC(=O)c2cc(-c3cccc(Cl)c3)on2)[C@H](C)NN1Cc1ccccc1C ZINC000020418503 558361326 /nfs/dbraw/zinc/36/13/26/558361326.db2.gz QIIBWRRTVJPZNB-HNNXBMFYSA-N 0 0 422.916 4.674 40 0 HJABRN O=C(CSCc1ccc(F)cc1)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000020453533 558367503 /nfs/dbraw/zinc/36/75/03/558367503.db2.gz SBQHRPGDNHZRSM-UHFFFAOYSA-N 0 0 400.519 4.760 40 0 HJABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(I)cc2)c1 ZINC000020453979 558368064 /nfs/dbraw/zinc/36/80/64/558368064.db2.gz PBAWERKRUJJTCO-CQSZACIVSA-N 0 0 409.267 4.622 40 0 HJABRN CCn1c2ccccc2c2cc(NS(=O)(=O)Cc3ccc(C(=O)OC)cc3)ccc21 ZINC000020455031 558368895 /nfs/dbraw/zinc/36/88/95/558368895.db2.gz LLFPCZVYIZKVOV-UHFFFAOYSA-N 0 0 422.506 4.543 40 0 HJABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1 ZINC000020456706 558370236 /nfs/dbraw/zinc/37/02/36/558370236.db2.gz PENGPZBBQKAMDO-NRFANRHFSA-N 0 0 408.523 4.677 40 0 HJABRN CN(C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)C1CCCCC1 ZINC000020457968 558370992 /nfs/dbraw/zinc/37/09/92/558370992.db2.gz MDZIGMQNYDHMPR-VWLOTQADSA-N 0 0 422.594 4.908 40 0 HJABRN CCOc1ccc([C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000020489135 558377529 /nfs/dbraw/zinc/37/75/29/558377529.db2.gz DYUWTAGMPAIBNV-AWEZNQCLSA-N 0 0 408.361 4.958 40 0 HJABRN O=C(NCCC1=CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020490989 558377975 /nfs/dbraw/zinc/37/79/75/558377975.db2.gz PHGHAIKXPRFUFQ-UHFFFAOYSA-N 0 0 418.946 4.761 40 0 HJABRN C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(F)cc1 ZINC000020491598 558378167 /nfs/dbraw/zinc/37/81/67/558378167.db2.gz PNYRWQQPRYWRER-CMJOXMDJSA-N 0 0 424.497 4.684 40 0 HJABRN Cc1ccc([C@@H](NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000020492120 558378226 /nfs/dbraw/zinc/37/82/26/558378226.db2.gz GAUZOPBRRZKZSN-FQEVSTJZSA-N 0 0 416.340 4.825 40 0 HJABRN COc1ccc(/C=C/C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(OC)c1OC ZINC000020493596 558379187 /nfs/dbraw/zinc/37/91/87/558379187.db2.gz YBNIVRRXBAXODS-BRGVFWSASA-N 0 0 417.505 4.940 40 0 HJABRN CCCc1nnc2sc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)nn12 ZINC000020609673 558389799 /nfs/dbraw/zinc/38/97/99/558389799.db2.gz IEPXPCVILXKFEU-UHFFFAOYSA-N 0 0 411.918 4.640 40 0 HJABRN CCCOc1ccc(C(=O)Nc2ccc(-c3nn4c(CCC)nnc4s3)cc2)cc1 ZINC000020609811 558389972 /nfs/dbraw/zinc/38/99/72/558389972.db2.gz OOYDIWMNDOWYEX-UHFFFAOYSA-N 0 0 421.526 4.846 40 0 HJABRN COc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000020610076 558390212 /nfs/dbraw/zinc/39/02/12/558390212.db2.gz VTWFXXHARREHKW-UHFFFAOYSA-N 0 0 416.481 4.570 40 0 HJABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(SCc4ccccc4)nn3cc21 ZINC000020632525 558394990 /nfs/dbraw/zinc/39/49/90/558394990.db2.gz IEFMQJJRHAIKNB-INIZCTEOSA-N 0 0 420.925 4.983 40 0 HJABRN COC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000020672475 558398544 /nfs/dbraw/zinc/39/85/44/558398544.db2.gz TYVBYYQTZKFXNN-QFIPXVFZSA-N 0 0 405.498 4.923 40 0 HJABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2cccc(C)c2)[C@H](C(=O)OCC)C1=O ZINC000020675740 558399964 /nfs/dbraw/zinc/39/99/64/558399964.db2.gz KJZKSIZZEXJDBK-VXKWHMMOSA-N 0 0 419.525 4.650 40 0 HJABRN COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000021344941 558436958 /nfs/dbraw/zinc/43/69/58/558436958.db2.gz AZQGIXSTAPMTRZ-UHFFFAOYSA-N 0 0 408.885 4.573 40 0 HJABRN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccccc1Br ZINC000021547832 558441214 /nfs/dbraw/zinc/44/12/14/558441214.db2.gz TXHRDQBQRYTSPK-UHFFFAOYSA-N 0 0 424.707 4.883 40 0 HJABRN CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3c(C=O)ccnc32)CC1 ZINC000022059662 558460619 /nfs/dbraw/zinc/46/06/19/558460619.db2.gz YHKJBTXVGIPIKD-UHFFFAOYSA-N 0 0 410.901 4.700 40 0 in-vitro HJABRN CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccccc2F)cc1OCC ZINC000022072826 558461775 /nfs/dbraw/zinc/46/17/75/558461775.db2.gz QZAQNAHAYXXWGK-UHFFFAOYSA-N 0 0 423.488 4.925 40 0 HJABRN COc1ccccc1CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022073015 558461996 /nfs/dbraw/zinc/46/19/96/558461996.db2.gz WYJMKBSPWUJGGI-UHFFFAOYSA-N 0 0 401.388 4.783 40 0 HJABRN CCn1cc(C(=O)N[C@H](C)c2ccccc2OC)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237036 558471059 /nfs/dbraw/zinc/47/10/59/558471059.db2.gz TXTGYPJEUOQEGR-CYBMUJFWSA-N 0 0 418.415 4.540 40 0 HJABRN CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000022514066 558493559 /nfs/dbraw/zinc/49/35/59/558493559.db2.gz BQPSSPFDVCZTRJ-UHFFFAOYSA-N 0 0 400.522 4.967 40 0 HJABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022519550 558494514 /nfs/dbraw/zinc/49/45/14/558494514.db2.gz VZMZGCXWYJDBOY-QHCPKHFHSA-N 0 0 408.929 4.999 40 0 HJABRN Cc1c(C)n(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12 ZINC000037100486 558504894 /nfs/dbraw/zinc/50/48/94/558504894.db2.gz UVRMVSNIHLNRGM-UHFFFAOYSA-N 0 0 415.459 4.739 40 0 HJABRN COc1cccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000013048345 558508407 /nfs/dbraw/zinc/50/84/07/558508407.db2.gz RFJFWTOVDASART-UHFFFAOYSA-N 0 0 401.510 4.634 40 0 HJABRN CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000013668799 558560771 /nfs/dbraw/zinc/56/07/71/558560771.db2.gz RVUAAWTXMBSADZ-XMMPIXPASA-N 0 0 402.519 4.737 40 0 HJABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712474 558576821 /nfs/dbraw/zinc/57/68/21/558576821.db2.gz SGYXGWDUJHKPRK-LJQANCHMSA-N 0 0 422.978 4.648 40 0 HJABRN CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714765 558578312 /nfs/dbraw/zinc/57/83/12/558578312.db2.gz JLVMQLPRRDUCIM-LJQANCHMSA-N 0 0 422.978 4.955 40 0 HJABRN CC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000014649549 558662766 /nfs/dbraw/zinc/66/27/66/558662766.db2.gz ATNZSLFAWVNMNX-UHFFFAOYSA-N 0 0 404.304 4.967 40 0 HJABRN CCCC1([C@H](O)CCC[C@H]2[C@@H](O)CC(=O)[C@H]2CCCCCCC(=O)OC)CCC1 ZINC000027639817 558677528 /nfs/dbraw/zinc/67/75/28/558677528.db2.gz HOESNYASPMLJNB-YUVXSKOASA-N 0 0 410.595 4.568 40 0 in-vitro HJABRN O=C(Cc1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000039762029 558685635 /nfs/dbraw/zinc/68/56/35/558685635.db2.gz IGGUACOTQXQRSV-UHFFFAOYSA-N 0 0 414.490 4.639 40 0 HJABRN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NC[C@H](C)Cn3cccn3)cc12 ZINC000036612034 558724729 /nfs/dbraw/zinc/72/47/29/558724729.db2.gz JIDWHOZZSMMGKG-SFHVURJKSA-N 0 0 400.526 4.569 40 0 HJABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000030862840 558742073 /nfs/dbraw/zinc/74/20/73/558742073.db2.gz QYEUEJUYQPMBBI-UHFFFAOYSA-N 0 0 408.523 4.594 40 0 HJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 ZINC000030864197 558742186 /nfs/dbraw/zinc/74/21/86/558742186.db2.gz IJQXMCLQULKZDL-MSOLQXFVSA-N 0 0 418.493 4.592 40 0 HJABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000016029220 558769112 /nfs/dbraw/zinc/76/91/12/558769112.db2.gz DLCTVKXJNPOKCT-IWBJTSIOSA-N 0 0 412.574 4.840 40 0 HJABRN Cc1ccc(-c2onc(C(=O)c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000016311033 558785370 /nfs/dbraw/zinc/78/53/70/558785370.db2.gz NCNIGAVSZGZDJB-UHFFFAOYSA-N 0 0 403.459 4.714 40 0 HJABRN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1)Nc1cccc(F)c1 ZINC000016399157 558789687 /nfs/dbraw/zinc/78/96/87/558789687.db2.gz OIXJDXYMRROCCN-HZPDHXFCSA-N 0 0 416.472 4.714 40 0 HJABRN COc1ccc(OC)c(NC(=O)c2oc3c(c2C)C2(CCC3)SCCS2)c1 ZINC000016740199 558803313 /nfs/dbraw/zinc/80/33/13/558803313.db2.gz OGJQNVFVRISZJV-UHFFFAOYSA-N 0 0 405.541 4.827 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000038753367 558813887 /nfs/dbraw/zinc/81/38/87/558813887.db2.gz WHSXSDIWMVDAFJ-SFHVURJKSA-N 0 0 408.523 4.595 40 0 HJABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 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ZINC000222539895 568517664 /nfs/dbraw/zinc/51/76/64/568517664.db2.gz RONZFEVYUZEZTF-UHFFFAOYSA-N 0 0 408.523 4.689 40 0 HJABRN Cc1ccc([C@@H](C)NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000222537703 568517731 /nfs/dbraw/zinc/51/77/31/568517731.db2.gz IPPONAFAAJVHPL-LJQANCHMSA-N 0 0 422.550 4.620 40 0 HJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000222562880 568518530 /nfs/dbraw/zinc/51/85/30/568518530.db2.gz NSBGDHVCGFLLPE-DENIHFKCSA-N 0 0 412.599 4.543 40 0 HJABRN COc1cc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2C)c(OC)cc1Cl ZINC000222585424 568519338 /nfs/dbraw/zinc/51/93/38/568519338.db2.gz QYNIBTMAEJHBTE-UHFFFAOYSA-N 0 0 401.825 4.514 40 0 HJABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000222596991 568519809 /nfs/dbraw/zinc/51/98/09/568519809.db2.gz DCELAUHTGUWTTF-URXFXBBRSA-N 0 0 408.586 4.692 40 0 HJABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 ZINC000222596816 568519826 /nfs/dbraw/zinc/51/98/26/568519826.db2.gz DCELAUHTGUWTTF-ZJSXRUAMSA-N 0 0 408.586 4.692 40 0 HJABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222601686 568520098 /nfs/dbraw/zinc/52/00/98/568520098.db2.gz KWPPZBOFCBRKGQ-URXFXBBRSA-N 0 0 408.586 4.611 40 0 HJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000222603571 568520139 /nfs/dbraw/zinc/52/01/39/568520139.db2.gz JIONIVLLRSINJN-HXUWFJFHSA-N 0 0 421.368 4.868 40 0 HJABRN CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 ZINC000222612585 568520621 /nfs/dbraw/zinc/52/06/21/568520621.db2.gz IBZKKKWGNYFFSV-BWKNWUBXSA-N 0 0 422.613 4.946 40 0 HJABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000222624035 568521127 /nfs/dbraw/zinc/52/11/27/568521127.db2.gz UXDFGWRXMIPJIZ-AVRDEDQJSA-N 0 0 414.977 4.647 40 0 HJABRN CCCOc1cc2c(cc1[C@@H]1[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N31)OCO2 ZINC000222650929 568522291 /nfs/dbraw/zinc/52/22/91/568522291.db2.gz XPSDZZPDCXJWHL-XMDBHEJHSA-N 0 0 411.527 4.579 40 0 HJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222674146 568523104 /nfs/dbraw/zinc/52/31/04/568523104.db2.gz RJDZMACWUWOHTR-HNNXBMFYSA-N 0 0 421.368 4.868 40 0 HJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222672634 568523149 /nfs/dbraw/zinc/52/31/49/568523149.db2.gz YDPGMBCQYAOOFG-LJQANCHMSA-N 0 0 424.585 4.695 40 0 HJABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(OC)cc3Cl)N21 ZINC000222687357 568523694 /nfs/dbraw/zinc/52/36/94/568523694.db2.gz NKQQZKHJKSDOBJ-QQGDVQBRSA-N 0 0 403.935 4.732 40 0 HJABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(N(C)C)cc3)N21 ZINC000222705767 568524284 /nfs/dbraw/zinc/52/42/84/568524284.db2.gz CKSCOSJHZYSXLO-NLSFWIRASA-N 0 0 417.582 4.918 40 0 HJABRN CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 ZINC000222717942 568524573 /nfs/dbraw/zinc/52/45/73/568524573.db2.gz AWSCMHDGWFDQLI-QGZVFWFLSA-N 0 0 402.343 4.881 40 0 HJABRN Cc1cccc(CSCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000222747856 568525460 /nfs/dbraw/zinc/52/54/60/568525460.db2.gz UFUSBTINIAMNCM-UHFFFAOYSA-N 0 0 401.919 4.590 40 0 HJABRN CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000222757583 568525710 /nfs/dbraw/zinc/52/57/10/568525710.db2.gz WHHXWKPWZAWQMN-ROUUACIJSA-N 0 0 414.328 4.706 40 0 HJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)CC1 ZINC000222844854 568528216 /nfs/dbraw/zinc/52/82/16/568528216.db2.gz BICHPIQKTMMHEO-INIZCTEOSA-N 0 0 407.341 4.726 40 0 HJABRN COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 ZINC000222856877 568528620 /nfs/dbraw/zinc/52/86/20/568528620.db2.gz JAGKPDWHFLODPV-RTWAWAEBSA-N 0 0 421.522 4.509 40 0 HJABRN COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)c1 ZINC000222857250 568528671 /nfs/dbraw/zinc/52/86/71/568528671.db2.gz QAPLYCLYJYNOKE-SFTDATJTSA-N 0 0 421.522 4.509 40 0 HJABRN COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222857329 568528676 /nfs/dbraw/zinc/52/86/76/568528676.db2.gz KRUWPAASGAITQU-NHCUHLMSSA-N 0 0 421.522 4.509 40 0 HJABRN CC(=O)O/C(C)=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000025547805 568528731 /nfs/dbraw/zinc/52/87/31/568528731.db2.gz IYHMGYUYUFEWDP-VPDHJTRPSA-N 0 0 416.558 4.977 40 0 HJABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000222871162 568529121 /nfs/dbraw/zinc/52/91/21/568529121.db2.gz IBDASTSXEBFOSY-GOTSBHOMSA-N 0 0 404.583 4.931 40 0 HJABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 ZINC000222902542 568530151 /nfs/dbraw/zinc/53/01/51/568530151.db2.gz MOVYCIVRMCUBGC-RTWAWAEBSA-N 0 0 421.522 4.511 40 0 HJABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2C(=O)OC)o1 ZINC000222902913 568530263 /nfs/dbraw/zinc/53/02/63/568530263.db2.gz BHUCNWFXJOFYPN-NHCUHLMSSA-N 0 0 421.522 4.511 40 0 HJABRN CCc1ccc(O[C@@H](CC)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000222902736 568530277 /nfs/dbraw/zinc/53/02/77/568530277.db2.gz ABMPTKKAMXUPQC-IBGZPJMESA-N 0 0 413.905 4.768 40 0 HJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1nccs1 ZINC000222908322 568530385 /nfs/dbraw/zinc/53/03/85/568530385.db2.gz VTSFDJZNYBVDGW-MOPGFXCFSA-N 0 0 411.600 4.574 40 0 HJABRN Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1Br ZINC000222955108 568532250 /nfs/dbraw/zinc/53/22/50/568532250.db2.gz CAMCRAVLRZWXLO-OAHLLOKOSA-N 0 0 402.332 4.893 40 0 HJABRN Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1Br ZINC000222955053 568532264 /nfs/dbraw/zinc/53/22/64/568532264.db2.gz CAMCRAVLRZWXLO-HNNXBMFYSA-N 0 0 402.332 4.893 40 0 HJABRN O=C(COc1ccc(Br)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000222956389 568532362 /nfs/dbraw/zinc/53/23/62/568532362.db2.gz SXZBOZXPNCUYAB-UHFFFAOYSA-N 0 0 424.707 4.639 40 0 HJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222979536 568533066 /nfs/dbraw/zinc/53/30/66/568533066.db2.gz ADIWTHIVUPDXAX-PMACEKPBSA-N 0 0 411.962 4.693 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000222988799 568533328 /nfs/dbraw/zinc/53/33/28/568533328.db2.gz MVSQJJAMTDWBML-SFHVURJKSA-N 0 0 400.950 4.606 40 0 HJABRN C[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 ZINC000222997497 568533720 /nfs/dbraw/zinc/53/37/20/568533720.db2.gz ZPTHRKHEAJYJJV-AWEZNQCLSA-N 0 0 408.361 4.509 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)CC ZINC000223016380 568534386 /nfs/dbraw/zinc/53/43/86/568534386.db2.gz NGFNUVJUFPJMHQ-MGPUTAFESA-N 0 0 402.922 4.973 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000223045856 568535461 /nfs/dbraw/zinc/53/54/61/568535461.db2.gz BVHAGQMRJIXWIO-FQEVSTJZSA-N 0 0 412.599 4.729 40 0 HJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223058321 568535952 /nfs/dbraw/zinc/53/59/52/568535952.db2.gz CFSVJFNTNLLPGX-CVEARBPZSA-N 0 0 421.368 4.868 40 0 HJABRN CN(c1ccc2sc(C(=O)Nc3cccc4ccccc43)cc2c1)S(C)(=O)=O ZINC000223071814 568536514 /nfs/dbraw/zinc/53/65/14/568536514.db2.gz PLNVQVYMUDVPBD-UHFFFAOYSA-N 0 0 410.520 4.703 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl ZINC000223086998 568537126 /nfs/dbraw/zinc/53/71/26/568537126.db2.gz OKLCTXWRCMJSEM-IBGZPJMESA-N 0 0 414.977 4.915 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1C1CCCCC1 ZINC000223089692 568537175 /nfs/dbraw/zinc/53/71/75/568537175.db2.gz LNQAZSACRSGDRL-DHIUTWEWSA-N 0 0 417.582 4.632 40 0 HJABRN CCCCN1c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2S(=O)(=O)N=C1C ZINC000223115999 568538136 /nfs/dbraw/zinc/53/81/36/568538136.db2.gz CKFFLIYACPDDNN-UHFFFAOYSA-N 0 0 419.934 4.628 40 0 HJABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223119146 568538284 /nfs/dbraw/zinc/53/82/84/568538284.db2.gz IMPSELUPTLSPSX-DEOSSOPVSA-N 0 0 420.940 4.616 40 0 HJABRN CC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc2c(c1)CCCC2 ZINC000223138344 568539164 /nfs/dbraw/zinc/53/91/64/568539164.db2.gz BFXCSHJQKROSNI-QFIPXVFZSA-N 0 0 413.583 4.882 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl ZINC000223141810 568539248 /nfs/dbraw/zinc/53/92/48/568539248.db2.gz AOOHHQCQXNOBEL-GOSISDBHSA-N 0 0 400.950 4.525 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223142469 568539359 /nfs/dbraw/zinc/53/93/59/568539359.db2.gz VTEGMSHGZCQXSY-KRWDZBQOSA-N 0 0 418.940 4.664 40 0 HJABRN CC(C)C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 ZINC000223148887 568539487 /nfs/dbraw/zinc/53/94/87/568539487.db2.gz IEDGVKJMYFXKOP-IWQUUTMOSA-N 0 0 402.494 4.954 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223167881 568539890 /nfs/dbraw/zinc/53/98/90/568539890.db2.gz ZIGYGNZHOXFWEM-JOCHJYFZSA-N 0 0 424.585 4.713 40 0 HJABRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(Br)c1 ZINC000223205530 568541036 /nfs/dbraw/zinc/54/10/36/568541036.db2.gz WWYFBGVZXHSEJU-AWEZNQCLSA-N 0 0 402.332 4.756 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C ZINC000223212530 568541149 /nfs/dbraw/zinc/54/11/49/568541149.db2.gz SPDVKGOEDHEEJB-QFIPXVFZSA-N 0 0 424.585 4.713 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 ZINC000223222813 568541525 /nfs/dbraw/zinc/54/15/25/568541525.db2.gz BWEBYANVPRRDEL-NRFANRHFSA-N 0 0 414.977 4.913 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000223225115 568541586 /nfs/dbraw/zinc/54/15/86/568541586.db2.gz RUWUFPJBQYAATG-NRFANRHFSA-N 0 0 412.599 4.809 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000223236903 568542058 /nfs/dbraw/zinc/54/20/58/568542058.db2.gz JHMOSTPCUPOFJO-INIZCTEOSA-N 0 0 421.368 4.870 40 0 HJABRN CSc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C(=O)N1CCCCCC1 ZINC000026119572 568542296 /nfs/dbraw/zinc/54/22/96/568542296.db2.gz YSVVXLJKPANZBU-UHFFFAOYSA-N 0 0 418.584 4.534 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223256171 568542880 /nfs/dbraw/zinc/54/28/80/568542880.db2.gz MBFAUOJRESIJLX-HSZRJFAPSA-N 0 0 408.586 4.876 40 0 HJABRN COc1cc(C)c([C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1C(C)C ZINC000223271267 568543654 /nfs/dbraw/zinc/54/36/54/568543654.db2.gz NPCKNIGPMHNGEZ-HNNXBMFYSA-N 0 0 401.503 4.644 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl ZINC000223277637 568543855 /nfs/dbraw/zinc/54/38/55/568543855.db2.gz ZQMJUIOHHJVBOM-QGZVFWFLSA-N 0 0 418.940 4.745 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 ZINC000223299271 568544528 /nfs/dbraw/zinc/54/45/28/568544528.db2.gz SRGHEXYFYUBEQA-HSZRJFAPSA-N 0 0 424.585 4.876 40 0 HJABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)n2)c1 ZINC000223300998 568544530 /nfs/dbraw/zinc/54/45/30/568544530.db2.gz NMTQHSIXYBRXGZ-GOSISDBHSA-N 0 0 407.514 4.903 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223314629 568544985 /nfs/dbraw/zinc/54/49/85/568544985.db2.gz GTLIREUXXWWJQY-HXUWFJFHSA-N 0 0 421.368 4.706 40 0 HJABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223343944 568545859 /nfs/dbraw/zinc/54/58/59/568545859.db2.gz PPYCQISTMWBHRG-SANMLTNESA-N 0 0 414.549 4.916 40 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/nfs/dbraw/zinc/54/88/06/568548806.db2.gz KHUVGQBPVZNUSP-NCELDCMTSA-N 0 0 401.506 4.993 40 0 HJABRN CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000223436377 568548901 /nfs/dbraw/zinc/54/89/01/568548901.db2.gz MDDQEDBMMOIBQU-UHFFFAOYSA-N 0 0 410.717 4.764 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223435778 568548945 /nfs/dbraw/zinc/54/89/45/568548945.db2.gz FUPUVMFSUOCGDG-QFIPXVFZSA-N 0 0 412.549 4.707 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1cccnc1 ZINC000223455645 568549393 /nfs/dbraw/zinc/54/93/93/568549393.db2.gz AEECLDBGRANCET-FGZHOGPDSA-N 0 0 403.555 4.566 40 0 HJABRN O=C(c1cc2sc(-c3ccccc3)cc2[nH]1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000026456245 568549633 /nfs/dbraw/zinc/54/96/33/568549633.db2.gz UQNPTCIVAJYCRT-UHFFFAOYSA-N 0 0 419.525 4.994 40 0 HJABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223472230 568549822 /nfs/dbraw/zinc/54/98/22/568549822.db2.gz VLPWKGBQXXXQAV-QHCPKHFHSA-N 0 0 424.903 4.885 40 0 HJABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223477149 568550008 /nfs/dbraw/zinc/55/00/08/568550008.db2.gz HASRECXBKDPESQ-RUZDIDTESA-N 0 0 418.512 4.665 40 0 HJABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223482227 568550121 /nfs/dbraw/zinc/55/01/21/568550121.db2.gz NBHOTAUKLGQSCR-QHCPKHFHSA-N 0 0 408.473 4.605 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(CC)cc1 ZINC000223552495 568551637 /nfs/dbraw/zinc/55/16/37/568551637.db2.gz YILKQQJEBAXCHJ-OAQYLSRUSA-N 0 0 408.586 4.558 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccn1 ZINC000223557969 568551712 /nfs/dbraw/zinc/55/17/12/568551712.db2.gz PSCQEFCCERNXMU-GOTSBHOMSA-N 0 0 417.582 4.956 40 0 HJABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCOc1cccc2ccccc21 ZINC000223558677 568551716 /nfs/dbraw/zinc/55/17/16/568551716.db2.gz UFVDCLSQCMYOIN-OAHLLOKOSA-N 0 0 414.299 4.565 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccn1 ZINC000223557921 568551772 /nfs/dbraw/zinc/55/17/72/568551772.db2.gz PSCQEFCCERNXMU-DHIUTWEWSA-N 0 0 417.582 4.956 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223616173 568553474 /nfs/dbraw/zinc/55/34/74/568553474.db2.gz ARICSBBKDJODDJ-QHCPKHFHSA-N 0 0 424.585 4.577 40 0 HJABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000223690504 568556335 /nfs/dbraw/zinc/55/63/35/568556335.db2.gz JPIZJWZEVYVOIL-MRXNPFEDSA-N 0 0 403.891 4.663 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C ZINC000223700122 568556598 /nfs/dbraw/zinc/55/65/98/568556598.db2.gz OVSRUHPEAVKOLX-QHCPKHFHSA-N 0 0 424.585 4.714 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000223703919 568556756 /nfs/dbraw/zinc/55/67/56/568556756.db2.gz ZVRKBGTZYKRNGE-HSZRJFAPSA-N 0 0 424.585 4.610 40 0 HJABRN CC[C@@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(OC)c(C)c1 ZINC000223713556 568557055 /nfs/dbraw/zinc/55/70/55/568557055.db2.gz PIJCQZRBOBMJSD-GOSISDBHSA-N 0 0 406.320 4.721 40 0 HJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223773276 568558612 /nfs/dbraw/zinc/55/86/12/568558612.db2.gz LTVMOYUPWJEJHP-OAHLLOKOSA-N 0 0 422.953 4.515 40 0 HJABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 ZINC000223779911 568558903 /nfs/dbraw/zinc/55/89/03/568558903.db2.gz BNSSYJCZMNNUNQ-KRWDZBQOSA-N 0 0 418.990 4.517 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223785197 568558945 /nfs/dbraw/zinc/55/89/45/568558945.db2.gz VXIXEYOJYZPSNJ-NRFANRHFSA-N 0 0 420.597 4.966 40 0 HJABRN Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223790349 568559189 /nfs/dbraw/zinc/55/91/89/568559189.db2.gz YIRMRNQSBYMLMN-SFHVURJKSA-N 0 0 412.961 4.667 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223808997 568559659 /nfs/dbraw/zinc/55/96/59/568559659.db2.gz QHJBBLHJHZFWFS-NRFANRHFSA-N 0 0 418.940 4.745 40 0 HJABRN Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811886 568559713 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568565047 /nfs/dbraw/zinc/56/50/47/568565047.db2.gz KLYSPQIUKHPOAQ-UHFFFAOYSA-N 0 0 406.935 4.593 40 0 HJABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3F)cc2)cc1 ZINC000223994809 568565678 /nfs/dbraw/zinc/56/56/78/568565678.db2.gz ZCICJNOBDXUGQK-UHFFFAOYSA-N 0 0 416.499 4.601 40 0 HJABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000224000857 568565735 /nfs/dbraw/zinc/56/57/35/568565735.db2.gz VIHYKMDORTXYHL-NJTIBFSMSA-N 0 0 406.570 4.743 40 0 HJABRN Cc1cc(C(=O)Nc2ccccc2OC(C)C)ccc1NS(=O)(=O)c1ccccc1 ZINC000223999957 568565761 /nfs/dbraw/zinc/56/57/61/568565761.db2.gz SNYRYBVKUGZMAC-UHFFFAOYSA-N 0 0 424.522 4.835 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccc2c(c1)OCO2 ZINC000224000282 568565822 /nfs/dbraw/zinc/56/58/22/568565822.db2.gz ASEOQTBDKZPSNB-ROUUACIJSA-N 0 0 415.927 4.702 40 0 HJABRN CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1 ZINC000224008838 568566151 /nfs/dbraw/zinc/56/61/51/568566151.db2.gz NJPYJVNHCLDGJB-LEWJYISDSA-N 0 0 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ZINC000224058068 568568206 /nfs/dbraw/zinc/56/82/06/568568206.db2.gz SFFXPRDLXUDIGZ-UHFFFAOYSA-N 0 0 424.522 4.674 40 0 HJABRN CCC(C)(C)NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224068129 568568402 /nfs/dbraw/zinc/56/84/02/568568402.db2.gz XADIDKIGNBGCPW-UHFFFAOYSA-N 0 0 415.342 4.713 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224080762 568568971 /nfs/dbraw/zinc/56/89/71/568568971.db2.gz VPQUUCWZWQXKIA-SFHVURJKSA-N 0 0 412.549 4.653 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2C)cc1 ZINC000224085176 568569184 /nfs/dbraw/zinc/56/91/84/568569184.db2.gz DFOBTYZKWQZYOW-IBGZPJMESA-N 0 0 422.550 4.638 40 0 HJABRN COCc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000224085869 568569230 /nfs/dbraw/zinc/56/92/30/568569230.db2.gz QQQRPQLJZFWJBH-UHFFFAOYSA-N 0 0 424.522 4.503 40 0 HJABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000224104490 568570051 /nfs/dbraw/zinc/57/00/51/568570051.db2.gz HJPGMWCCDLRDTJ-OAQYLSRUSA-N 0 0 408.586 4.932 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224168726 568572301 /nfs/dbraw/zinc/57/23/01/568572301.db2.gz QLTPFVKRIQRRMM-OAQYLSRUSA-N 0 0 408.586 4.680 40 0 HJABRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 ZINC000224191969 568573162 /nfs/dbraw/zinc/57/31/62/568573162.db2.gz IHOVMIGNOYYZLG-GOTSBHOMSA-N 0 0 411.534 4.753 40 0 HJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3F)cc2C)cc1 ZINC000224207532 568573785 /nfs/dbraw/zinc/57/37/85/568573785.db2.gz XFNBUMMHWXCZBA-UHFFFAOYSA-N 0 0 412.486 4.520 40 0 HJABRN CN(c1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(=O)(=O)c1cccs1 ZINC000224236430 568574725 /nfs/dbraw/zinc/57/47/25/568574725.db2.gz NWMDFQJNWWQDCO-UHFFFAOYSA-N 0 0 408.589 4.518 40 0 HJABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 ZINC000224242803 568575071 /nfs/dbraw/zinc/57/50/71/568575071.db2.gz DQADEMGTDQCQMM-UHFFFAOYSA-N 0 0 407.466 4.934 40 0 HJABRN COc1cccc(OCc2cc(C(=O)NCc3ccccc3Cl)ccc2OC)c1 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408.523 4.595 40 0 HJABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C ZINC000013682856 558567764 /nfs/dbraw/zinc/56/77/64/558567764.db2.gz YBYWBGRKAXWAFN-UHFFFAOYSA-N 0 0 408.523 4.594 40 0 HJABRN CCc1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000013684450 558568537 /nfs/dbraw/zinc/56/85/37/558568537.db2.gz STLLVNSIUKQUPU-GOSISDBHSA-N 0 0 402.494 4.758 40 0 HJABRN COCCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000013686795 558569871 /nfs/dbraw/zinc/56/98/71/558569871.db2.gz LSYRVSYHKNQUSY-UHFFFAOYSA-N 0 0 419.506 4.898 40 0 HJABRN COc1ccc(OC)c(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)c1 ZINC000012285555 558583787 /nfs/dbraw/zinc/58/37/87/558583787.db2.gz ZFERKSXLQZKVLB-UHFFFAOYSA-N 0 0 422.510 4.875 40 0 HJABRN Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000013999716 558612056 /nfs/dbraw/zinc/61/20/56/558612056.db2.gz GCTUWIROTVZSOB-RTBURBONSA-N 0 0 402.494 4.892 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3)cc2)c(C)c1 ZINC000014004414 558612593 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COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2cccc(F)c2)sc2c1CCCC2 ZINC000036620636 558741698 /nfs/dbraw/zinc/74/16/98/558741698.db2.gz SHFWALYGOYJLDW-MRXNPFEDSA-N 0 0 402.491 4.922 40 0 HJABRN O=C(Nc1ccc(F)c(F)c1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000030938404 558745100 /nfs/dbraw/zinc/74/51/00/558745100.db2.gz YJTMSVBEDVOSPA-UHFFFAOYSA-N 0 0 409.274 4.578 40 0 HJABRN CC(=O)[C@@H](C[NH+](C(C)C)C(C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000031841665 558752994 /nfs/dbraw/zinc/75/29/94/558752994.db2.gz OUEQETVIEFWKSK-FYYLOGMGSA-N 0 0 421.537 4.955 40 0 HJABRN CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000015960947 558764225 /nfs/dbraw/zinc/76/42/25/558764225.db2.gz CORPXGZVFNLFRB-UHFFFAOYSA-N 0 0 414.571 4.628 40 0 HJABRN O=C(NCCc1cn(C(=O)Nc2ccc(Cl)cc2)cn1)Nc1ccc(Cl)cc1 ZINC000016428398 558790961 /nfs/dbraw/zinc/79/09/61/558790961.db2.gz MVYRLZXANGFYCS-UHFFFAOYSA-N 0 0 418.284 4.634 40 0 HJABRN S=C(NC[C@H]1CCC[C@H](CNC(=S)Nc2ccccc2)C1)Nc1ccccc1 ZINC000016489897 558794309 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SISOIGGGBXCPOY-GOSISDBHSA-N 0 0 410.493 4.645 40 0 HJABRN Cc1nccn1CCCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000019288127 558861190 /nfs/dbraw/zinc/86/11/90/558861190.db2.gz VYKDYJBYJUKVGM-UHFFFAOYSA-N 0 0 409.342 4.965 40 0 HJABRN Cn1cc(Cl)c(C(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)n1 ZINC000019290003 558862353 /nfs/dbraw/zinc/86/23/53/558862353.db2.gz FPYXGJCBSNICET-KRWDZBQOSA-N 0 0 402.857 4.625 40 0 HJABRN COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1nn(C)cc1-c1ccncc1 ZINC000019290073 558862462 /nfs/dbraw/zinc/86/24/62/558862462.db2.gz YBMFFHGZAUYEPX-IBGZPJMESA-N 0 0 410.905 4.512 40 0 HJABRN Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000019290080 558862534 /nfs/dbraw/zinc/86/25/34/558862534.db2.gz JEGTYAQTQDHGRI-LJQANCHMSA-N 0 0 414.431 4.868 40 0 HJABRN O=C(c1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019293300 558864950 /nfs/dbraw/zinc/86/49/50/558864950.db2.gz FSIZILJDAORHCQ-GOSISDBHSA-N 0 0 400.404 4.858 40 0 HJABRN O=C(C1CC1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294064 558865725 /nfs/dbraw/zinc/86/57/25/558865725.db2.gz XMUBUXRSAJQWGS-GOSISDBHSA-N 0 0 417.488 4.537 40 0 HJABRN c1csc([C@@H](Cc2ccsc2)NCc2cccc(OC[C@@H]3CCCO3)c2)n1 ZINC000019330948 558868182 /nfs/dbraw/zinc/86/81/82/558868182.db2.gz AHAJRUKAXIWTCL-VQTJNVASSA-N 0 0 400.569 4.836 40 0 HJABRN O=C(c1ccccc1F)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 ZINC000019347455 558873781 /nfs/dbraw/zinc/87/37/81/558873781.db2.gz DGICKMCFNGQZPQ-UHFFFAOYSA-N 0 0 402.473 4.575 40 0 HJABRN c1csc([C@H](Cc2ccsc2)NCc2ccccc2OC[C@H]2CCCO2)n1 ZINC000019349533 558875223 /nfs/dbraw/zinc/87/52/23/558875223.db2.gz NJXPNIGAQNEPFO-MOPGFXCFSA-N 0 0 400.569 4.836 40 0 HJABRN O=C(CCc1nc(-c2ccccn2)no1)Nc1ccccc1Oc1ccc(F)cc1 ZINC000019349978 558875321 /nfs/dbraw/zinc/87/53/21/558875321.db2.gz CGYLXMFYFWZEIS-UHFFFAOYSA-N 0 0 404.401 4.634 40 0 HJABRN O=C(CCc1ccccc1)N1CCC[C@@H](c2nnc(-c3nccc4ccccc43)o2)C1 ZINC000019370735 558878837 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Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000014399980 560842222 /nfs/dbraw/zinc/84/22/22/560842222.db2.gz DSUSWSAJGBPYNS-GOSISDBHSA-N 0 0 424.522 4.510 40 0 HJABRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000014404810 560845409 /nfs/dbraw/zinc/84/54/09/560845409.db2.gz ZNODGUHNARPKJO-UHFFFAOYSA-N 0 0 424.504 4.923 40 0 HJABRN COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C)cc1C ZINC000017087615 560862777 /nfs/dbraw/zinc/86/27/77/560862777.db2.gz PLMYEOABNXHDOG-UHFFFAOYSA-N 0 0 407.333 4.510 40 0 HJABRN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 ZINC000017089006 560864035 /nfs/dbraw/zinc/86/40/35/560864035.db2.gz NULSUVIRGUQWHY-QGZVFWFLSA-N 0 0 411.571 4.979 40 0 HJABRN COc1c(Cl)cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1Cl ZINC000017089475 560864366 /nfs/dbraw/zinc/86/43/66/560864366.db2.gz BAIQDBIUMUPAAD-MRVPVSSYSA-N 0 0 413.326 4.540 40 0 HJABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)c1 ZINC000017090709 560865481 /nfs/dbraw/zinc/86/54/81/560865481.db2.gz FVKFGJUGYPYFDC-UHFFFAOYSA-N 0 0 416.506 4.942 40 0 HJABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000017092096 560866790 /nfs/dbraw/zinc/86/67/90/560866790.db2.gz QYDHVHBSEHIZJJ-CQSZACIVSA-N 0 0 420.294 4.922 40 0 HJABRN Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 ZINC000017092616 560867214 /nfs/dbraw/zinc/86/72/14/560867214.db2.gz CYDAICKFHKKNGA-UHFFFAOYSA-N 0 0 421.309 4.787 40 0 HJABRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000017093336 560867855 /nfs/dbraw/zinc/86/78/55/560867855.db2.gz YDKCILQPKPIFRB-UHFFFAOYSA-N 0 0 422.897 4.978 40 0 HJABRN Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918396 560869426 /nfs/dbraw/zinc/86/94/26/560869426.db2.gz CPDBALYNZRPEBV-BUZGTXCDSA-N 0 0 416.631 4.855 40 0 HJABRN O=C(CSc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020238395 560883136 /nfs/dbraw/zinc/88/31/36/560883136.db2.gz MKWCIGGIDZMJHQ-UHFFFAOYSA-N 0 0 402.563 4.713 40 0 HJABRN CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc(Cl)cc3)C1=O)OCO2 ZINC000409099816 568417619 /nfs/dbraw/zinc/41/76/19/568417619.db2.gz UHRXFJVGPRRGNP-QGMBQPNBSA-N 0 0 417.870 4.704 40 0 HJABRN CCOc1c(Br)cc(/C=C2\Sc3ccccc3NC2=O)cc1OC ZINC000409099969 568417623 /nfs/dbraw/zinc/41/76/23/568417623.db2.gz SFKMNZMIQKOJKS-YBEGLDIGSA-N 0 0 406.301 4.942 40 0 HJABRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C ZINC000118915905 568420095 /nfs/dbraw/zinc/42/00/95/568420095.db2.gz HSVJCMLFGCXOCJ-NVCLLROFSA-N 0 0 402.575 4.935 40 0 HJABRN CCn1cc(/C=C2/C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 ZINC000118916070 568420572 /nfs/dbraw/zinc/42/05/72/568420572.db2.gz KQSUPNWTORYXDA-JMTKTWDGSA-N 0 0 412.618 4.969 40 0 HJABRN Clc1cccc(/N=c2\scc(-c3cccs3)n2CCCN2CCOCC2)c1 ZINC000005299012 568443163 /nfs/dbraw/zinc/44/31/63/568443163.db2.gz IOYFOYCAQLZMCA-XDOYNYLZSA-N 0 0 420.003 4.886 40 0 HJABRN O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000020886349 568460606 /nfs/dbraw/zinc/46/06/06/568460606.db2.gz PPFFVYHTKUHNEQ-UHFFFAOYSA-N 0 0 421.722 4.593 40 0 HJABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccccc1 ZINC000020972852 568460841 /nfs/dbraw/zinc/46/08/41/568460841.db2.gz ZUKRUJZDFPWDRP-UHFFFAOYSA-N 0 0 400.482 4.870 40 0 HJABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(I)cc1 ZINC000216305465 568464253 /nfs/dbraw/zinc/46/42/53/568464253.db2.gz ALUSSULFRDQJGW-OAHLLOKOSA-N 0 0 415.658 4.741 40 0 HJABRN O=C(Nc1ccccc1F)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000216359404 568464619 /nfs/dbraw/zinc/46/46/19/568464619.db2.gz ZGTSCNPOWQLHHX-UHFFFAOYSA-N 0 0 404.850 4.532 40 0 HJABRN O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCN(c2ccccc2)CC1 ZINC000216475221 568465486 /nfs/dbraw/zinc/46/54/86/568465486.db2.gz KZILDPDLUXYJKE-UHFFFAOYSA-N 0 0 411.549 4.602 40 0 HJABRN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 ZINC000021580350 568467272 /nfs/dbraw/zinc/46/72/72/568467272.db2.gz VKQMMQZGFKHZQO-UHFFFAOYSA-N 0 0 403.438 4.508 40 0 HJABRN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(OC)c1 ZINC000021595486 568467571 /nfs/dbraw/zinc/46/75/71/568467571.db2.gz ZUUXPULAOQQWSF-UHFFFAOYSA-N 0 0 416.433 4.955 40 0 HJABRN CCc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(Br)c1 ZINC000218866458 568484393 /nfs/dbraw/zinc/48/43/93/568484393.db2.gz ZFKXPVPHHRQEFM-KRWDZBQOSA-N 0 0 418.331 4.809 40 0 HJABRN CCc1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)c(Br)c1 ZINC000218863972 568484447 /nfs/dbraw/zinc/48/44/47/568484447.db2.gz PRNVOIFXGCAOCM-UHFFFAOYSA-N 0 0 410.739 4.793 40 0 HJABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000219382554 568490691 /nfs/dbraw/zinc/49/06/91/568490691.db2.gz AUASFTVTWUAQHD-GOSISDBHSA-N 0 0 413.905 4.823 40 0 HJABRN CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 ZINC000057316896 568490952 /nfs/dbraw/zinc/49/09/52/568490952.db2.gz GTVCSSLSONBEIS-UHFFFAOYSA-N 0 0 418.309 4.974 40 0 HJABRN O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1cccc(Br)c1 ZINC000219451301 568492718 /nfs/dbraw/zinc/49/27/18/568492718.db2.gz CBVLBQSXAOLXNJ-UHFFFAOYSA-N 0 0 409.283 4.981 40 0 HJABRN Cc1ccc(SCCNC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219455040 568492894 /nfs/dbraw/zinc/49/28/94/568492894.db2.gz OUDUAVRFIZVZOB-UHFFFAOYSA-N 0 0 404.535 4.797 40 0 HJABRN Cc1ccccc1CSCCNC(=O)CCCN1c2cccc3cccc(c23)C1=O ZINC000219459194 568492980 /nfs/dbraw/zinc/49/29/80/568492980.db2.gz VGJSPUMQECFBJY-UHFFFAOYSA-N 0 0 418.562 4.938 40 0 HJABRN Fc1cccc(Nc2nc(N3CCCC3)nc3c2CN(Cc2ccccc2)CC3)c1 ZINC000057774612 568497414 /nfs/dbraw/zinc/49/74/14/568497414.db2.gz FDXGZUJLAFKEAT-UHFFFAOYSA-N 0 0 403.505 4.518 40 0 HJABRN Cc1ncsc1-c1nc(NC[C@@H]2COc3ccccc3O2)ncc1-c1ccccc1 ZINC000057775507 568497630 /nfs/dbraw/zinc/49/76/30/568497630.db2.gz FTFRKTFAXVLHMU-QGZVFWFLSA-N 0 0 416.506 4.827 40 0 HJABRN CC[C@H](NC(=O)COc1ccc(I)cc1)c1ccc(C)c(C)c1 ZINC000219836182 568498953 /nfs/dbraw/zinc/49/89/53/568498953.db2.gz OTTXJZRSQHMZLG-SFHVURJKSA-N 0 0 423.294 4.554 40 0 HJABRN NC(=O)[C@H]1C[C@H]2CCCC[C@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000058161180 568499947 /nfs/dbraw/zinc/49/99/47/568499947.db2.gz KHMRTKOBQZNUBE-KBRIMQKVSA-N 0 0 412.946 4.635 40 0 HJABRN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000220716099 568508638 /nfs/dbraw/zinc/50/86/38/568508638.db2.gz VPOQHCVDZOYCMD-GOSISDBHSA-N 0 0 422.978 4.757 40 0 HJABRN C[C@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000222401951 568515338 /nfs/dbraw/zinc/51/53/38/568515338.db2.gz COSYEDSFRVNBRT-ILXVDBEPSA-N 0 0 406.452 4.947 40 0 HJABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl ZINC000222451621 568516038 /nfs/dbraw/zinc/51/60/38/568516038.db2.gz WDSRHSLYVFSMSP-JOCHJYFZSA-N 0 0 414.977 4.913 40 0 HJABRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 ZINC000222471521 568516381 /nfs/dbraw/zinc/51/63/81/568516381.db2.gz KQWQSZOZBILHDN-YKSBVNFPSA-N 0 0 424.585 4.658 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC(C)C)cc1 ZINC000222497029 568516767 /nfs/dbraw/zinc/51/67/67/568516767.db2.gz GBCWGMXSHFAGPS-XMMPIXPASA-N 0 0 408.586 4.822 40 0 HJABRN CCOc1c(Cl)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1OC ZINC000222573483 568518812 /nfs/dbraw/zinc/51/88/12/568518812.db2.gz WWVRPNXBGKDWQG-RZAIGCCYSA-N 0 0 403.935 4.732 40 0 HJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 ZINC000222585826 568519445 /nfs/dbraw/zinc/51/94/45/568519445.db2.gz FBFBZSJFAZERFN-JOCHJYFZSA-N 0 0 414.977 4.913 40 0 HJABRN Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1cccnc1 ZINC000222591027 568519574 /nfs/dbraw/zinc/51/95/74/568519574.db2.gz CVGLJZPKXGQJAF-WQTXXOFMSA-N 0 0 403.555 4.533 40 0 HJABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C ZINC000222595149 568519665 /nfs/dbraw/zinc/51/96/65/568519665.db2.gz GTIBLCRZGVRFEU-JOCHJYFZSA-N 0 0 414.977 4.831 40 0 HJABRN COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000222657234 568522502 /nfs/dbraw/zinc/52/25/02/568522502.db2.gz KCEAZBRIKZMDIR-OZHVRZOASA-N 0 0 415.489 4.884 40 0 HJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)CC1 ZINC000222660742 568522671 /nfs/dbraw/zinc/52/26/71/568522671.db2.gz SBKMKNHWCRFLLP-GOSISDBHSA-N 0 0 412.961 4.643 40 0 HJABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(O)c(Br)c3)N21 ZINC000222665831 568522730 /nfs/dbraw/zinc/52/27/30/568522730.db2.gz IHYPZFSBNFQPAP-JCURWCKSSA-N 0 0 404.333 4.529 40 0 HJABRN Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222676429 568523214 /nfs/dbraw/zinc/52/32/14/568523214.db2.gz QRFDOFVBWZAYFQ-IBGZPJMESA-N 0 0 412.599 4.728 40 0 HJABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccnc4)c3C)N21 ZINC000222682215 568523610 /nfs/dbraw/zinc/52/36/10/568523610.db2.gz LAPFCBLMMRWYFI-MTNREXPMSA-N 0 0 403.555 4.864 40 0 HJABRN COCCCNC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 ZINC000222688501 568523718 /nfs/dbraw/zinc/52/37/18/568523718.db2.gz RSYRRMPEIVCCRQ-UHFFFAOYSA-N 0 0 420.962 4.617 40 0 HJABRN Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000222696477 568523913 /nfs/dbraw/zinc/52/39/13/568523913.db2.gz MFYNZBHPJVYZNA-QGZVFWFLSA-N 0 0 400.950 4.523 40 0 HJABRN COc1ccc(-c2noc(CNC(=O)CCCSc3ccc(Cl)cc3)n2)cc1 ZINC000222696791 568524087 /nfs/dbraw/zinc/52/40/87/568524087.db2.gz HQCSPRPTQPUNAX-UHFFFAOYSA-N 0 0 417.918 4.587 40 0 HJABRN O=C(CSCc1ccccc1F)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000222700845 568524176 /nfs/dbraw/zinc/52/41/76/568524176.db2.gz VVNNYBUVSGSHDF-UHFFFAOYSA-N 0 0 408.498 4.628 40 0 HJABRN Cc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@H](C)C(=O)NC(C)(C)C ZINC000222709922 568524405 /nfs/dbraw/zinc/52/44/05/568524405.db2.gz JDROSZUKYUCLJO-HXUWFJFHSA-N 0 0 424.585 4.829 40 0 HJABRN Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000222737484 568525122 /nfs/dbraw/zinc/52/51/22/568525122.db2.gz DKRZOSNPGVYNTL-UHFFFAOYSA-N 0 0 404.535 4.797 40 0 HJABRN Cc1cccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222737926 568525136 /nfs/dbraw/zinc/52/51/36/568525136.db2.gz UWEHLWBQKZUSKL-FQEVSTJZSA-N 0 0 424.585 4.829 40 0 HJABRN Cc1cccc(CSCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000222740091 568525235 /nfs/dbraw/zinc/52/52/35/568525235.db2.gz VWVHJIXHUBTREI-UHFFFAOYSA-N 0 0 408.489 4.596 40 0 HJABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222757715 568525640 /nfs/dbraw/zinc/52/56/40/568525640.db2.gz QCSDCRVBZDQGGL-OAHLLOKOSA-N 0 0 407.341 4.683 40 0 HJABRN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000222761542 568525796 /nfs/dbraw/zinc/52/57/96/568525796.db2.gz JHIKHHQUXSMNNZ-IBGZPJMESA-N 0 0 420.940 4.616 40 0 HJABRN C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000222761471 568525810 /nfs/dbraw/zinc/52/58/10/568525810.db2.gz UHURLGFIEYIWEV-LJQANCHMSA-N 0 0 420.940 4.616 40 0 HJABRN O=C(COc1ccc(Br)cc1Cl)NCc1ccc2ccccc2c1 ZINC000222787314 568526542 /nfs/dbraw/zinc/52/65/42/568526542.db2.gz DBURSPOAQIIJQH-UHFFFAOYSA-N 0 0 404.691 4.951 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222810405 568527019 /nfs/dbraw/zinc/52/70/19/568527019.db2.gz RDVLIBFNOBDFFZ-SFHVURJKSA-N 0 0 414.977 4.831 40 0 HJABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)CC(C)(C)O2 ZINC000222855967 568528576 /nfs/dbraw/zinc/52/85/76/568528576.db2.gz FGETXHZIFOXHFQ-AUUYWEPGSA-N 0 0 403.906 4.843 40 0 HJABRN Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222863225 568528838 /nfs/dbraw/zinc/52/88/38/568528838.db2.gz BORBQVWXICQOEF-KRWDZBQOSA-N 0 0 400.950 4.523 40 0 HJABRN Cc1ccc(SCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222864748 568528947 /nfs/dbraw/zinc/52/89/47/568528947.db2.gz WSWBJDYHDCYSFC-KRWDZBQOSA-N 0 0 416.562 4.558 40 0 HJABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 ZINC000222902600 568530163 /nfs/dbraw/zinc/53/01/63/568530163.db2.gz MOVYCIVRMCUBGC-LEWJYISDSA-N 0 0 421.522 4.511 40 0 HJABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(C(=O)OC)c2)o1 ZINC000222902481 568530190 /nfs/dbraw/zinc/53/01/90/568530190.db2.gz MOVYCIVRMCUBGC-SFTDATJTSA-N 0 0 421.522 4.511 40 0 HJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1OC ZINC000222955968 568532175 /nfs/dbraw/zinc/53/21/75/568532175.db2.gz GZVBATAPPHAQDA-FGZHOGPDSA-N 0 0 406.555 4.654 40 0 HJABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000222956215 568532367 /nfs/dbraw/zinc/53/23/67/568532367.db2.gz SYDRVNBFUHXUEO-NRFANRHFSA-N 0 0 400.950 4.771 40 0 HJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 ZINC000223016313 568534361 /nfs/dbraw/zinc/53/43/61/568534361.db2.gz NGFNUVJUFPJMHQ-FOIQADDNSA-N 0 0 402.922 4.973 40 0 HJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 ZINC000223028041 568534769 /nfs/dbraw/zinc/53/47/69/568534769.db2.gz YSTYXFKEQIAZHN-IRXDYDNUSA-N 0 0 418.990 4.764 40 0 HJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 ZINC000223032434 568534885 /nfs/dbraw/zinc/53/48/85/568534885.db2.gz DHEQWMBJBPQEMI-MSOLQXFVSA-N 0 0 400.950 4.605 40 0 HJABRN CC[C@H](NS(=O)(=O)Cc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000223077800 568536623 /nfs/dbraw/zinc/53/66/23/568536623.db2.gz FLAZDJJUOIFCIE-FQEVSTJZSA-N 0 0 422.388 4.899 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1C1CCCCC1 ZINC000223082501 568536860 /nfs/dbraw/zinc/53/68/60/568536860.db2.gz CASZLBYITJZOKT-FCHUYYIVSA-N 0 0 403.555 4.573 40 0 HJABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1cccnc1 ZINC000223090306 568537185 /nfs/dbraw/zinc/53/71/85/568537185.db2.gz LQHMRTPWOISNKW-GOTSBHOMSA-N 0 0 417.582 4.881 40 0 HJABRN Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1Cl ZINC000223100006 568537540 /nfs/dbraw/zinc/53/75/40/568537540.db2.gz RDUIDAZLGRHODR-UHFFFAOYSA-N 0 0 417.690 4.534 40 0 HJABRN CCOc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 ZINC000223104338 568537678 /nfs/dbraw/zinc/53/76/78/568537678.db2.gz XBLFPVNUYSBMGT-HKWRFOASSA-N 0 0 422.506 4.565 40 0 HJABRN Cc1ccc(OCCCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223118754 568538209 /nfs/dbraw/zinc/53/82/09/568538209.db2.gz QREYBMAZDZMMSK-OAQYLSRUSA-N 0 0 424.585 4.529 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223127540 568538564 /nfs/dbraw/zinc/53/85/64/568538564.db2.gz XIRRPGNQZAPMAL-JOCHJYFZSA-N 0 0 424.585 4.796 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccccc1 ZINC000223135741 568539029 /nfs/dbraw/zinc/53/90/29/568539029.db2.gz RTFATHZPUZKORG-OAQYLSRUSA-N 0 0 412.599 4.891 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(Cl)c1Cl ZINC000223177516 568540223 /nfs/dbraw/zinc/54/02/23/568540223.db2.gz JOOOADBPOBWHOX-LLVKDONJSA-N 0 0 400.327 4.530 40 0 HJABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223189000 568540459 /nfs/dbraw/zinc/54/04/59/568540459.db2.gz YGFFSUAEGAIAJO-RUZDIDTESA-N 0 0 422.544 4.792 40 0 HJABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223204382 568541072 /nfs/dbraw/zinc/54/10/72/568541072.db2.gz CTTPJOVIBODALL-HSZRJFAPSA-N 0 0 412.549 4.728 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000223223865 568541480 /nfs/dbraw/zinc/54/14/80/568541480.db2.gz SEAVLGFSSWNOAT-HSZRJFAPSA-N 0 0 408.586 4.876 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 ZINC000223237797 568542110 /nfs/dbraw/zinc/54/21/10/568542110.db2.gz CPHPILJKCNTVNA-GOSISDBHSA-N 0 0 400.950 4.525 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223239280 568542234 /nfs/dbraw/zinc/54/22/34/568542234.db2.gz PMEYSEPFWDYDSK-GOSISDBHSA-N 0 0 416.562 4.560 40 0 HJABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223355205 568546164 /nfs/dbraw/zinc/54/61/64/568546164.db2.gz IDJNOBIIQLCLGO-GOTSBHOMSA-N 0 0 414.534 4.946 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223371505 568546769 /nfs/dbraw/zinc/54/67/69/568546769.db2.gz REOPRTMCGJKUNR-FQEVSTJZSA-N 0 0 421.368 4.706 40 0 HJABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c(C)c1 ZINC000223383747 568547210 /nfs/dbraw/zinc/54/72/10/568547210.db2.gz ZLPZYRAYFFMYLK-KRWDZBQOSA-N 0 0 405.560 4.792 40 0 HJABRN CCCCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccccc3)ccc2s1 ZINC000223392996 568547315 /nfs/dbraw/zinc/54/73/15/568547315.db2.gz QMRODUQZRBZIPL-UHFFFAOYSA-N 0 0 416.568 4.646 40 0 HJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 ZINC000223411325 568547862 /nfs/dbraw/zinc/54/78/62/568547862.db2.gz JHFHATQHMFLSHN-FGZHOGPDSA-N 0 0 406.555 4.645 40 0 HJABRN CC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223424422 568548622 /nfs/dbraw/zinc/54/86/22/568548622.db2.gz CNHYBWVAAAMTBH-AWEZNQCLSA-N 0 0 424.950 4.916 40 0 HJABRN CC(C)CNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223424269 568548625 /nfs/dbraw/zinc/54/86/25/568548625.db2.gz IFSIFDWZGRVSIL-UHFFFAOYSA-N 0 0 424.950 4.774 40 0 HJABRN COc1cc(C)c(S(=O)(=O)NCCSCc2ccc(C)cc2)cc1C(C)C ZINC000223447642 568549174 /nfs/dbraw/zinc/54/91/74/568549174.db2.gz PVAKFGORQFIXPL-UHFFFAOYSA-N 0 0 407.601 4.647 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1cccnc1 ZINC000223455596 568549399 /nfs/dbraw/zinc/54/93/99/568549399.db2.gz AEECLDBGRANCET-FCHUYYIVSA-N 0 0 403.555 4.566 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1cccnc1 ZINC000223479382 568549949 /nfs/dbraw/zinc/54/99/49/568549949.db2.gz ACOAHSATCUWAGL-PKTZIBPZSA-N 0 0 417.582 4.956 40 0 HJABRN COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000026464798 568550131 /nfs/dbraw/zinc/55/01/31/568550131.db2.gz GLOKUNNBEIITTO-NVNXTCNLSA-N 0 0 409.294 4.720 40 0 HJABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223488750 568550319 /nfs/dbraw/zinc/55/03/19/568550319.db2.gz NKXFTIKYTZTCSY-RUZDIDTESA-N 0 0 418.512 4.665 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccncc1 ZINC000223516813 568550784 /nfs/dbraw/zinc/55/07/84/568550784.db2.gz DLAFWCWSRMYRFF-FCHUYYIVSA-N 0 0 403.555 4.566 40 0 HJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C(C)C ZINC000223532160 568551061 /nfs/dbraw/zinc/55/10/61/568551061.db2.gz WQVZSPLDMJPPLA-FGZHOGPDSA-N 0 0 405.571 4.649 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000223559023 568551777 /nfs/dbraw/zinc/55/17/77/568551777.db2.gz HIHUCFOLDNPCOQ-OAQYLSRUSA-N 0 0 424.585 4.565 40 0 HJABRN CCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223594278 568552710 /nfs/dbraw/zinc/55/27/10/568552710.db2.gz FDUYKXRSYPTXRA-DYESRHJHSA-N 0 0 400.950 4.605 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223596740 568552889 /nfs/dbraw/zinc/55/28/89/568552889.db2.gz MXZLKPQAKNXFOW-QHCPKHFHSA-N 0 0 424.585 4.714 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223616231 568553477 /nfs/dbraw/zinc/55/34/77/568553477.db2.gz ARICSBBKDJODDJ-HSZRJFAPSA-N 0 0 424.585 4.577 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C ZINC000223653069 568554994 /nfs/dbraw/zinc/55/49/94/568554994.db2.gz BYLCATKPCAGXLK-QHCPKHFHSA-N 0 0 424.585 4.714 40 0 HJABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223667525 568555473 /nfs/dbraw/zinc/55/54/73/568555473.db2.gz VFSHYFGLJMVBLR-UHFFFAOYSA-N 0 0 417.527 4.548 40 0 HJABRN CCc1cc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)ccc1OC ZINC000223688849 568556325 /nfs/dbraw/zinc/55/63/25/568556325.db2.gz VNMGOUUCOQHXGM-UHFFFAOYSA-N 0 0 411.523 4.680 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223702237 568556752 /nfs/dbraw/zinc/55/67/52/568556752.db2.gz CAAQMPDRQFXNRI-NRFANRHFSA-N 0 0 414.977 4.647 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223718805 568557283 /nfs/dbraw/zinc/55/72/83/568557283.db2.gz OCRQVGZPYRYYNB-QHCPKHFHSA-N 0 0 408.586 4.611 40 0 HJABRN O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1ccc(Br)cc1 ZINC000223724614 568557510 /nfs/dbraw/zinc/55/75/10/568557510.db2.gz RVDGVOXQKXYAFC-UHFFFAOYSA-N 0 0 418.312 4.720 40 0 HJABRN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)C1(c2ccccc2)CCOCC1 ZINC000223726270 568557523 /nfs/dbraw/zinc/55/75/23/568557523.db2.gz PPEGXKAQNGDDGY-UHFFFAOYSA-N 0 0 419.496 4.769 40 0 HJABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1NC(C)=O ZINC000223739663 568557762 /nfs/dbraw/zinc/55/77/62/568557762.db2.gz XBRUTMHZFXXYEJ-AWEZNQCLSA-N 0 0 420.600 4.704 40 0 HJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000223739951 568557799 /nfs/dbraw/zinc/55/77/99/568557799.db2.gz MKYKSMLVUFVNPP-JYBCESJWSA-N 0 0 418.493 4.553 40 0 HJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000223740005 568557832 /nfs/dbraw/zinc/55/78/32/568557832.db2.gz MKYKSMLVUFVNPP-OYADDEIPSA-N 0 0 418.493 4.553 40 0 HJABRN CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223746323 568557899 /nfs/dbraw/zinc/55/78/99/568557899.db2.gz ZMLDOYFTEYCZIF-FQEVSTJZSA-N 0 0 422.569 4.665 40 0 HJABRN COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C ZINC000223761118 568558473 /nfs/dbraw/zinc/55/84/73/568558473.db2.gz PFHYIYHUHCKTAG-UHFFFAOYSA-N 0 0 402.494 4.505 40 0 HJABRN CC(C)c1ccccc1OCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223778169 568558813 /nfs/dbraw/zinc/55/88/13/568558813.db2.gz HNDZATRSOZPKDK-UHFFFAOYSA-N 0 0 402.343 4.615 40 0 HJABRN Cc1cc(OCC(=O)NCCOc2ccccc2C(C)C)cc(C)c1Br ZINC000223780773 568558881 /nfs/dbraw/zinc/55/88/81/568558881.db2.gz JPJTYOWMNNRDQM-UHFFFAOYSA-N 0 0 420.347 4.763 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223793207 568559303 /nfs/dbraw/zinc/55/93/03/568559303.db2.gz DIGMSGMNAHASLZ-OAQYLSRUSA-N 0 0 418.940 4.745 40 0 HJABRN Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814151 568559727 /nfs/dbraw/zinc/55/97/27/568559727.db2.gz GDRALQGPTQGTJP-SFHVURJKSA-N 0 0 412.961 4.667 40 0 HJABRN CCCC[C@H](CC)CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000223824208 568559922 /nfs/dbraw/zinc/55/99/22/568559922.db2.gz WMHKDRSPZNPIBV-IBGZPJMESA-N 0 0 416.587 4.599 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223858697 568561024 /nfs/dbraw/zinc/56/10/24/568561024.db2.gz LFRDKRPWLHBWIO-GOSISDBHSA-N 0 0 412.961 4.667 40 0 HJABRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000223891522 568562101 /nfs/dbraw/zinc/56/21/01/568562101.db2.gz GSSCKOMFJJPMIF-FCHUYYIVSA-N 0 0 419.598 4.881 40 0 HJABRN Cc1nc(NC(=S)NCc2ccc(-c3ccccc3)o2)ccc1Br ZINC000223909030 568562672 /nfs/dbraw/zinc/56/26/72/568562672.db2.gz QJTIFZYPNXJOPK-UHFFFAOYSA-N 0 0 402.317 4.899 40 0 HJABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000223926775 568563112 /nfs/dbraw/zinc/56/31/12/568563112.db2.gz OYZXJNAOFAPMHC-GOSISDBHSA-N 0 0 408.523 4.595 40 0 HJABRN COc1ccc(CNC(=S)Nc2ccc(N3CCCc4ccccc43)nc2)cc1 ZINC000223927226 568563169 /nfs/dbraw/zinc/56/31/69/568563169.db2.gz VRHIAWPBPLEVAF-UHFFFAOYSA-N 0 0 404.539 4.661 40 0 HJABRN Cc1c(Br)cnc(NC(=S)NCc2ccc(Cl)cc2)c1Cl ZINC000223929067 568563303 /nfs/dbraw/zinc/56/33/03/568563303.db2.gz TVEZXQCLKWYEML-UHFFFAOYSA-N 0 0 405.148 4.946 40 0 HJABRN Cc1c(Br)cnc(NC(=S)NCc2ccccc2Cl)c1Cl ZINC000223933313 568563411 /nfs/dbraw/zinc/56/34/11/568563411.db2.gz KJQQUCWMOIYWFT-UHFFFAOYSA-N 0 0 405.148 4.946 40 0 HJABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 ZINC000223943311 568563848 /nfs/dbraw/zinc/56/38/48/568563848.db2.gz XUZABWRDSJYQAO-IBGZPJMESA-N 0 0 422.550 4.547 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCCCCC3)c2)cc1 ZINC000223957761 568564547 /nfs/dbraw/zinc/56/45/47/568564547.db2.gz LJHXWFNOYRJGJS-UHFFFAOYSA-N 0 0 400.544 4.639 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2)cc1 ZINC000223956924 568564576 /nfs/dbraw/zinc/56/45/76/568564576.db2.gz ZSEZHHWHISNAGB-IBGZPJMESA-N 0 0 422.550 4.904 40 0 HJABRN Fc1ccc(CCCNC(=S)Nc2ncc(Br)cc2Cl)cc1 ZINC000223965045 568564626 /nfs/dbraw/zinc/56/46/26/568564626.db2.gz JJQANERRPBUYAK-UHFFFAOYSA-N 0 0 402.720 4.556 40 0 HJABRN S=C(NCCCc1ccccc1)Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000223963967 568564708 /nfs/dbraw/zinc/56/47/08/568564708.db2.gz NOJSNXJHIVKODS-UHFFFAOYSA-N 0 0 402.567 4.564 40 0 HJABRN Cc1nc(NC(=S)NCCCc2ccc(F)cc2)c(Cl)cc1Br ZINC000223965668 568564843 /nfs/dbraw/zinc/56/48/43/568564843.db2.gz QJECPXSQXQFDQL-UHFFFAOYSA-N 0 0 416.747 4.864 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223989001 568565441 /nfs/dbraw/zinc/56/54/41/568565441.db2.gz QDPDQQDRZDCMGW-DEOSSOPVSA-N 0 0 424.585 4.578 40 0 HJABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2C)cc1 ZINC000224009799 568566227 /nfs/dbraw/zinc/56/62/27/568566227.db2.gz NCBWVGIEFUZOHX-UHFFFAOYSA-N 0 0 424.522 4.674 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224044831 568567467 /nfs/dbraw/zinc/56/74/67/568567467.db2.gz NRTPLVSHKPXHNL-QGZVFWFLSA-N 0 0 400.950 4.523 40 0 HJABRN Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224051690 568567815 /nfs/dbraw/zinc/56/78/15/568567815.db2.gz XUSKDRFWQXANOK-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN CC(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000224081127 568568998 /nfs/dbraw/zinc/56/89/98/568568998.db2.gz NEKNTGITUXMEHG-UHFFFAOYSA-N 0 0 408.523 4.541 40 0 HJABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(OC(C)C)c2)c1 ZINC000224084390 568569238 /nfs/dbraw/zinc/56/92/38/568569238.db2.gz YBNIVAWRFXFLKE-JCMHNJIXSA-N 0 0 404.466 4.785 40 0 HJABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000224095136 568569608 /nfs/dbraw/zinc/56/96/08/568569608.db2.gz GTQQKJBBSGVKJR-FQEVSTJZSA-N 0 0 418.990 4.517 40 0 HJABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 ZINC000224113591 568570523 /nfs/dbraw/zinc/57/05/23/568570523.db2.gz HVCOFAXBLUYCOZ-JOCHJYFZSA-N 0 0 410.583 4.645 40 0 HJABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000224140566 568571262 /nfs/dbraw/zinc/57/12/62/568571262.db2.gz MENHXSPGGGUZMG-XMMPIXPASA-N 0 0 422.569 4.548 40 0 HJABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 ZINC000224138608 568571276 /nfs/dbraw/zinc/57/12/76/568571276.db2.gz LNMPSKYFAHPROJ-QFIPXVFZSA-N 0 0 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ZINC000224167288 568572196 /nfs/dbraw/zinc/57/21/96/568572196.db2.gz HLEVDALLCFPZKG-DEOSSOPVSA-N 0 0 420.553 4.988 40 0 HJABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224179979 568572720 /nfs/dbraw/zinc/57/27/20/568572720.db2.gz CUTUPECKCHKMAK-FQEVSTJZSA-N 0 0 421.368 4.788 40 0 HJABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(Cc2ccncc2)cc1 ZINC000224180104 568572744 /nfs/dbraw/zinc/57/27/44/568572744.db2.gz LIOYMZPWKAZXGW-UHFFFAOYSA-N 0 0 407.322 4.921 40 0 HJABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000224182149 568572870 /nfs/dbraw/zinc/57/28/70/568572870.db2.gz CRKCXGCZSUEWCG-FQEVSTJZSA-N 0 0 418.990 4.684 40 0 HJABRN COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cc(C)cc(C)c1 ZINC000224198155 568573303 /nfs/dbraw/zinc/57/33/03/568573303.db2.gz DKTQHEPPFXSPKH-UHFFFAOYSA-N 0 0 419.477 4.550 40 0 HJABRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 ZINC000224198492 568573432 /nfs/dbraw/zinc/57/34/32/568573432.db2.gz AVCFYKFTWMSDBA-WWPVKYPJSA-N 0 0 418.566 4.548 40 0 HJABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1F ZINC000224198266 568573440 /nfs/dbraw/zinc/57/34/40/568573440.db2.gz GPZHSYQWWJLVHC-QHCPKHFHSA-N 0 0 410.533 4.543 40 0 HJABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 ZINC000224208508 568573740 /nfs/dbraw/zinc/57/37/40/568573740.db2.gz CWKJXWXYNHZSCU-KRWDZBQOSA-N 0 0 418.990 4.622 40 0 HJABRN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224214931 568574016 /nfs/dbraw/zinc/57/40/16/568574016.db2.gz APZUGAKKCZLQKD-XMMPIXPASA-N 0 0 417.505 4.850 40 0 HJABRN CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 ZINC000224266932 568575844 /nfs/dbraw/zinc/57/58/44/568575844.db2.gz JKWIRABSURPEIQ-UHFFFAOYSA-N 0 0 407.466 4.934 40 0 HJABRN COc1ccccc1OCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000224276012 568576165 /nfs/dbraw/zinc/57/61/65/568576165.db2.gz GDZHWTVKJXNTAL-UHFFFAOYSA-N 0 0 411.885 4.736 40 0 HJABRN CCc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 ZINC000224290142 568576576 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Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000224421223 568580849 /nfs/dbraw/zinc/58/08/49/568580849.db2.gz QIDJHKLAOMCCMX-FCHUYYIVSA-N 0 0 415.497 4.584 40 0 HJABRN C[C@H](CCc1ccccc1)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000224423659 568580947 /nfs/dbraw/zinc/58/09/47/568580947.db2.gz PQBQPIHHGQYRNM-LFTLAFEGSA-N 0 0 404.535 4.657 40 0 HJABRN CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(OC)c(C)c2)c(Br)c1 ZINC000224437350 568581271 /nfs/dbraw/zinc/58/12/71/568581271.db2.gz CDIMDZQGFGIGGM-GOSISDBHSA-N 0 0 420.347 4.975 40 0 HJABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000224476632 568582194 /nfs/dbraw/zinc/58/21/94/568582194.db2.gz URGVUFFJJLYUAO-GOSISDBHSA-N 0 0 422.550 4.849 40 0 HJABRN CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)ccc1Cl ZINC000224480325 568582257 /nfs/dbraw/zinc/58/22/57/568582257.db2.gz HOABFJVGRIPGQQ-AWEZNQCLSA-N 0 0 401.890 4.802 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(Br)cc1 ZINC000224483331 568582423 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/nfs/dbraw/zinc/33/11/98/569331198.db2.gz LQASSCDONNMMJZ-UHFFFAOYSA-N 0 0 408.523 4.887 40 0 HJABRN CCOc1cc(/C=C2/Sc3ccccc3C2=O)cc(Cl)c1OCC(=O)OC ZINC000006354889 569331389 /nfs/dbraw/zinc/33/13/89/569331389.db2.gz MBHBGQAUGRBMCN-LICLKQGHSA-N 0 0 404.871 4.620 40 0 HJABRN Cc1c(F)cccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000006418119 569332064 /nfs/dbraw/zinc/33/20/64/569332064.db2.gz GHXJADMFUPEWQL-JXFKEZNVSA-N 0 0 416.493 4.571 40 0 HJABRN Cc1c(F)cccc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000006418114 569332102 /nfs/dbraw/zinc/33/21/02/569332102.db2.gz GHXJADMFUPEWQL-OXJNMPFZSA-N 0 0 416.493 4.571 40 0 HJABRN COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccccc1 ZINC000006586161 569333574 /nfs/dbraw/zinc/33/35/74/569333574.db2.gz GIPYIHBFJHDVSM-LLPNRZALSA-N 0 0 404.510 4.876 40 0 HJABRN CCOc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000006960861 569336042 /nfs/dbraw/zinc/33/60/42/569336042.db2.gz XITYTOUDYRKRSD-UHFFFAOYSA-N 0 0 412.555 4.573 40 0 HJABRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O ZINC000006971816 569336725 /nfs/dbraw/zinc/33/67/25/569336725.db2.gz TXXRYMVAOIIMMK-KGENOOAVSA-N 0 0 403.507 4.785 40 0 HJABRN N#C/C(=C/c1ccc(N2CCCC2)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006970147 569336730 /nfs/dbraw/zinc/33/67/30/569336730.db2.gz BWAKHTXCCZABQM-GDNBJRDFSA-N 0 0 403.379 4.990 40 0 HJABRN O=C(CCc1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000007360904 569337327 /nfs/dbraw/zinc/33/73/27/569337327.db2.gz PXYAEDMXDYQAEN-UHFFFAOYSA-N 0 0 414.914 4.712 40 0 HJABRN CSc1nc2sc(C(=O)Nc3ccc(F)cc3F)cc2c(N2CCCC2)n1 ZINC000007604258 569337882 /nfs/dbraw/zinc/33/78/82/569337882.db2.gz ITPZPLBVMIOHLJ-UHFFFAOYSA-N 0 0 406.483 4.544 40 0 HJABRN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O ZINC000007882129 569338236 /nfs/dbraw/zinc/33/82/36/569338236.db2.gz CLYDDFTXIJRRON-JSGCOSHPSA-N 0 0 410.823 4.907 40 0 HJABRN CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1 ZINC000007882534 569338366 /nfs/dbraw/zinc/33/83/66/569338366.db2.gz POMNJXAKIDZMQZ-FQEVSTJZSA-N 0 0 422.525 4.642 40 0 HJABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)c(C)c1 ZINC000007928075 569338407 /nfs/dbraw/zinc/33/84/07/569338407.db2.gz GJFCSSMPPGPABG-MRXNPFEDSA-N 0 0 415.331 4.674 40 0 HJABRN CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc(Cl)c1C ZINC000007939850 569338696 /nfs/dbraw/zinc/33/86/96/569338696.db2.gz ZRFRLHLALUYXGC-UHFFFAOYSA-N 0 0 416.905 4.502 40 0 HJABRN CCc1ccc(N2C(=O)/C(=C\c3c(O)ccc4ccccc43)C(C(=O)OC)=C2C)cc1 ZINC000008085556 569339331 /nfs/dbraw/zinc/33/93/31/569339331.db2.gz ZWKHQUIRHCWVSD-JCMHNJIXSA-N 0 0 413.473 4.985 40 0 HJABRN COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000008092298 569339556 /nfs/dbraw/zinc/33/95/56/569339556.db2.gz VUIZYAQKXYQPFW-LZYBPNLTSA-N 0 0 405.834 4.502 40 0 HJABRN COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc12 ZINC000008116103 569339713 /nfs/dbraw/zinc/33/97/13/569339713.db2.gz RZBZVNRYJPVGSZ-CIAFOILYSA-N 0 0 400.459 4.957 40 0 HJABRN COc1ccccc1N1C(=O)S[C@@H](Cc2cc(Cl)cc(Cl)c2OC)C1=O ZINC000008169260 569339805 /nfs/dbraw/zinc/33/98/05/569339805.db2.gz NOPJPHLKXKPFLT-HNNXBMFYSA-N 0 0 412.294 4.822 40 0 HJABRN Cc1ccc(C)c(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c1 ZINC000008370021 569340198 /nfs/dbraw/zinc/34/01/98/569340198.db2.gz NFJOWXPLWXDENA-UHFFFAOYSA-N 0 0 423.538 4.919 40 0 HJABRN Cc1ccc(C)c(NC(=O)CCCC(=O)OCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000008417645 569340818 /nfs/dbraw/zinc/34/08/18/569340818.db2.gz ITXFDLPLJRMIOU-UHFFFAOYSA-N 0 0 416.905 4.556 40 0 HJABRN CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000008433509 569340842 /nfs/dbraw/zinc/34/08/42/569340842.db2.gz QMOYPPPXSOXGGT-UHFFFAOYSA-N 0 0 416.905 4.502 40 0 HJABRN CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000008434130 569341050 /nfs/dbraw/zinc/34/10/50/569341050.db2.gz NRJLWJSSVAAHSI-RTBURBONSA-N 0 0 402.494 4.519 40 0 HJABRN Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)o3)cc2)s1 ZINC000009062095 569342084 /nfs/dbraw/zinc/34/20/84/569342084.db2.gz UPPBNCUXRNWDAQ-UHFFFAOYSA-N 0 0 404.451 4.611 40 0 HJABRN CCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1OCC ZINC000010041063 569342675 /nfs/dbraw/zinc/34/26/75/569342675.db2.gz KDXTTXJAHNPXIP-UHFFFAOYSA-N 0 0 421.287 4.676 40 0 HJABRN CC(C)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000015396850 569344955 /nfs/dbraw/zinc/34/49/55/569344955.db2.gz JLSLFYYRXOCERT-UHFFFAOYSA-N 0 0 408.523 4.644 40 0 HJABRN Cc1cccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c1 ZINC000015398143 569345026 /nfs/dbraw/zinc/34/50/26/569345026.db2.gz LHWOELNYXAUIIK-UHFFFAOYSA-N 0 0 422.550 4.952 40 0 HJABRN Cc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000015398217 569345027 /nfs/dbraw/zinc/34/50/27/569345027.db2.gz NTCMXQZWXNBISX-UHFFFAOYSA-N 0 0 422.550 4.952 40 0 HJABRN Cc1nn(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c(C)c1C ZINC000019691306 569345938 /nfs/dbraw/zinc/34/59/38/569345938.db2.gz KIVMFSNCZNMVQG-HSZRJFAPSA-N 0 0 406.505 4.682 40 0 HJABRN CC(C)C(NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)C(C)C ZINC000020239768 569349630 /nfs/dbraw/zinc/34/96/30/569349630.db2.gz GZQYPOYKUYRCBY-XMMPIXPASA-N 0 0 410.583 4.871 40 0 HJABRN N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000032788454 569350442 /nfs/dbraw/zinc/35/04/42/569350442.db2.gz JPYGGSUNNWNCJN-IZZDOVSWSA-N 0 0 406.623 4.556 40 0 HJABRN Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCc2ccc(Cl)cc2)n1C ZINC000033562494 569350564 /nfs/dbraw/zinc/35/05/64/569350564.db2.gz OLINTANVHOIKLU-AWEZNQCLSA-N 0 0 400.935 4.560 40 0 HJABRN C[C@H](C(=O)Nc1cccc2ccccc21)N1c2cccc3cccc(c23)S1(=O)=O ZINC000033649577 569350830 /nfs/dbraw/zinc/35/08/30/569350830.db2.gz HHTITPQUNGGJSU-OAHLLOKOSA-N 0 0 402.475 4.529 40 0 HJABRN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1C ZINC000033708322 569351110 /nfs/dbraw/zinc/35/11/10/569351110.db2.gz ZOTUDWIRJPQBIJ-UHFFFAOYSA-N 0 0 408.523 4.973 40 0 HJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2C)c1 ZINC000107732956 569352909 /nfs/dbraw/zinc/35/29/09/569352909.db2.gz VOYQBJZKQSYKPI-UHFFFAOYSA-N 0 0 408.523 4.973 40 0 HJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2C)c1 ZINC000107756490 569352936 /nfs/dbraw/zinc/35/29/36/569352936.db2.gz CGJBYUGOMCQDCL-UHFFFAOYSA-N 0 0 422.550 4.685 40 0 HJABRN CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O ZINC000108143540 569353451 /nfs/dbraw/zinc/35/34/51/569353451.db2.gz LFCRIXURJKBHES-WQRHYEAKSA-N 0 0 417.870 4.905 40 0 HJABRN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000111672034 569353712 /nfs/dbraw/zinc/35/37/12/569353712.db2.gz INLWHEUKYMTXSD-MFOYZWKCSA-N 0 0 412.312 4.535 40 0 HJABRN O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(Br)c(Cl)c1 ZINC000138886755 569354216 /nfs/dbraw/zinc/35/42/16/569354216.db2.gz VTCKESWNFLXCFJ-UHFFFAOYSA-N 0 0 403.059 4.551 40 0 HJABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000138749238 569354280 /nfs/dbraw/zinc/35/42/80/569354280.db2.gz BDZDFSHEUZJMQI-LLVKDONJSA-N 0 0 416.688 4.904 40 0 HJABRN COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1 ZINC000215151712 569356582 /nfs/dbraw/zinc/35/65/82/569356582.db2.gz UDAOGHXTKAIULV-RQZCQDPDSA-N 0 0 407.850 4.733 40 0 HJABRN Clc1cccc(-c2nccnc2[C@H]2CN(Cc3cccc4ncccc34)CCO2)c1 ZINC000019693277 569428357 /nfs/dbraw/zinc/42/83/57/569428357.db2.gz RMILECLNIVPSPL-JOCHJYFZSA-N 0 0 416.912 4.919 40 0 HJABRN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)cc1 ZINC000010264452 571039395 /nfs/dbraw/zinc/03/93/95/571039395.db2.gz XJPPTWMTMNNSJB-UHFFFAOYSA-N 0 0 407.326 4.828 40 0 HJABRN CC(C)(C)Nc1nc(Nc2ccc(F)cc2Br)cc(C(F)(F)F)n1 ZINC000328962946 571305091 /nfs/dbraw/zinc/30/50/91/571305091.db2.gz BLEPGIBXAQBAPA-UHFFFAOYSA-N 0 0 407.209 5.351 40 0 HJABRN COc1ccc(Nc2cc(-c3ccccn3)nc(NC(C)(C)C)n2)cc1C(F)(F)F ZINC000328993216 571309264 /nfs/dbraw/zinc/30/92/64/571309264.db2.gz JACJHVOXRZTKHV-UHFFFAOYSA-N 0 0 417.435 5.520 40 0 HJABRN Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC(C)C)C1 ZINC000008624037 291279665 /nfs/dbraw/zinc/27/96/65/291279665.db2.gz HJBNFDZDXDFEMG-NVXWUHKLSA-N 0 0 406.452 4.628 40 0 biogenic,in-vitro HJABRN O=C1Nc2ccccc2[C@@]12CC(c1ccc(F)cc1)=NC(=S)N2c1ccc(F)cc1 ZINC000001087367 132236824 /nfs/dbraw/zinc/23/68/24/132236824.db2.gz UAEZSGAQBSSTSC-QHCPKHFHSA-N 0 0 419.456 4.797 40 0 HJABRN CC(C)(C)NC(=O)CSC1=NN=C(c2ccccc2)Cn2c3ccsc3cc21 ZINC000072334580 518736902 /nfs/dbraw/zinc/73/69/02/518736902.db2.gz CSCTXJUQPJPGFX-UHFFFAOYSA-N 0 0 410.568 4.515 40 0 HJABRN CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)cc1 ZINC000019928655 519708370 /nfs/dbraw/zinc/70/83/70/519708370.db2.gz QPCYHQLLKIODSH-UHFFFAOYSA-N 0 0 422.293 4.977 40 0 HJABRN CC(C)Oc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000032285117 519784927 /nfs/dbraw/zinc/78/49/27/519784927.db2.gz NDYVTPQACVLTBN-UHFFFAOYSA-N 0 0 410.495 4.527 40 0 HJABRN CCOCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C ZINC000225863632 520047207 /nfs/dbraw/zinc/04/72/07/520047207.db2.gz UOIDDDJHTBAXQW-UHFFFAOYSA-N 0 0 402.922 4.909 40 0 HJABRN CCOC(=O)C1(c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2)CC1 ZINC000225898936 520473885 /nfs/dbraw/zinc/47/38/85/520473885.db2.gz DSHDFEHCXSDQBV-UHFFFAOYSA-N 0 0 410.857 4.842 40 0 HJABRN CCC(C)(C)C(=O)O[C@@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 ZINC000043772736 521275172 /nfs/dbraw/zinc/27/51/72/521275172.db2.gz RYMZZMVNJRMUDD-ZIJIDRORSA-N 0 0 418.574 4.586 40 0 in-vitro HJABRN CCOC(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)C1 ZINC000045887328 521281224 /nfs/dbraw/zinc/28/12/24/521281224.db2.gz PMOHEXALVFYURG-NSHDSACASA-N 0 0 419.264 4.718 40 0 HJABRN CCCc1cc(C(=O)N2CCCC[C@@H]2c2nc(CCC)ncc2-c2ccncc2)no1 ZINC000072390683 521353388 /nfs/dbraw/zinc/35/33/88/521353388.db2.gz WTXNCYNKDFPOFE-OAQYLSRUSA-N 0 0 419.529 4.799 40 0 HJABRN CCOC(=O)c1ccc(-c2ccc(/C=C3/N=C(c4cccc(C)c4)OC3=O)o2)cc1 ZINC000041108852 521460397 /nfs/dbraw/zinc/46/03/97/521460397.db2.gz CKATWSPUDJNBDA-XSFVSMFZSA-N 0 0 401.418 4.776 40 0 HJABRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)cc1 ZINC000044904394 522541766 /nfs/dbraw/zinc/54/17/66/522541766.db2.gz IRLWGGTZFJFBOE-QFIPXVFZSA-N 0 0 422.550 4.985 40 0 HJABRN CCc1nn2c(ncc3c2ccn(CCc2ccccc2)c3=O)c1-c1ccc(F)cc1 ZINC000040396740 522711624 /nfs/dbraw/zinc/71/16/24/522711624.db2.gz HXGSYZNBNHEXBI-UHFFFAOYSA-N 0 0 412.468 4.655 40 0 HJABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000044883526 522885593 /nfs/dbraw/zinc/88/55/93/522885593.db2.gz ULKBXKPHFKZNSX-HNNXBMFYSA-N 0 0 407.919 4.863 40 0 HJABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000044901472 523040442 /nfs/dbraw/zinc/04/04/42/523040442.db2.gz HBCDFSATXXNFGV-JOCHJYFZSA-N 0 0 406.482 4.623 40 0 HJABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 ZINC000072378928 523918505 /nfs/dbraw/zinc/91/85/05/523918505.db2.gz JAHNYOMFMQTTQC-JOCHJYFZSA-N 0 0 418.541 4.696 40 0 HJABRN CCc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000020568068 524065950 /nfs/dbraw/zinc/06/59/50/524065950.db2.gz CKAGJUOMCYEATH-UHFFFAOYSA-N 0 0 422.550 4.776 40 0 HJABRN C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NCc3ccco3)n2)C1 ZINC000225912449 524108063 /nfs/dbraw/zinc/10/80/63/524108063.db2.gz AONGGOYMKBNTGK-INIZCTEOSA-N 0 0 423.542 4.585 40 0 HJABRN COc1ccc(Cl)cc1C(=O)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000041125416 524197469 /nfs/dbraw/zinc/19/74/69/524197469.db2.gz IWMNEZOMAZGNLT-HXUWFJFHSA-N 0 0 423.896 4.834 40 0 HJABRN COc1ccc(SCC(=O)Nc2ccc(Br)c(Cl)c2)cc1OC ZINC000044848752 525101765 /nfs/dbraw/zinc/10/17/65/525101765.db2.gz GLKLNSUVQDKSFM-UHFFFAOYSA-N 0 0 416.724 4.851 40 0 HJABRN COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C2=NC(=O)CS2)cc1 ZINC000032598087 525238669 /nfs/dbraw/zinc/23/86/69/525238669.db2.gz IGJQDYJJRLWQSH-NRFANRHFSA-N 0 0 401.491 4.629 40 0 HJABRN Cc1ccc(OC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c(C)c1 ZINC000041077661 525367620 /nfs/dbraw/zinc/36/76/20/525367620.db2.gz FTJFPAKMCCUYES-UHFFFAOYSA-N 0 0 419.300 4.814 40 0 HJABRN Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044908888 525418367 /nfs/dbraw/zinc/41/83/67/525418367.db2.gz PGROGBNACNUSPJ-UHFFFAOYSA-N 0 0 421.368 4.709 40 0 HJABRN NC(=O)Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 ZINC000041127421 526910728 /nfs/dbraw/zinc/91/07/28/526910728.db2.gz FMXZJRFFXUDJLK-UHFFFAOYSA-N 0 0 407.267 4.952 40 0 HJABRN Cc1nc2nc3ccn([C@H]4CCC[C@H](C)[C@@H]4C)c(=O)c3c(-c3ccc(F)cc3)n2n1 ZINC000040398552 527202940 /nfs/dbraw/zinc/20/29/40/527202940.db2.gz GQUFVIMCKZPHRD-NJSLBKSFSA-N 0 0 405.477 4.551 40 0 HJABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349415 527296317 /nfs/dbraw/zinc/29/63/17/527296317.db2.gz RVBXTBQGCJDCMW-HXUWFJFHSA-N 0 0 405.929 4.670 40 0 HJABRN O=c1[nH]c(N2CCc3ccccc32)nc2nccc(C=Cc3cccc(Cl)c3)c12 ZINC000040388588 527440717 /nfs/dbraw/zinc/44/07/17/527440717.db2.gz GZNXVIYKAOXAPX-CMDGGOBGSA-N 0 0 400.869 4.836 40 0 HJABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 ZINC000006569808 535326689 /nfs/dbraw/zinc/32/66/89/535326689.db2.gz NLEMGTFCOMJGLS-UHFFFAOYSA-N 0 0 411.571 4.983 40 0 HJABRN COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1Cl ZINC000002689136 536663385 /nfs/dbraw/zinc/66/33/85/536663385.db2.gz BPWLYGVLXGVMNM-RDTXWAMCSA-N 0 0 423.694 4.881 40 0 HJABRN Cc1nnc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1 ZINC000000691904 557060608 /nfs/dbraw/zinc/06/06/08/557060608.db2.gz VGDWGMRPVGIBES-UHFFFAOYSA-N 0 0 408.508 4.899 40 0 HJABRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3O)nnc2-c2ccccc2)cc1 ZINC000000900577 557114210 /nfs/dbraw/zinc/11/42/10/557114210.db2.gz RGWYZKDCTMBNBU-UHFFFAOYSA-N 0 0 416.506 4.679 40 0 HJABRN CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)Nc3cccnc3Cl)cc2N1 ZINC000001009271 557141368 /nfs/dbraw/zinc/14/13/68/557141368.db2.gz MAEAIWSKYLJDKN-RYUDHWBXSA-N 0 0 401.820 4.518 40 0 HJABRN O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1ccccc1C(F)(F)F ZINC000001236706 557250355 /nfs/dbraw/zinc/25/03/55/557250355.db2.gz FSUUTJXYIOTEIU-VBKFSLOCSA-N 0 0 420.412 4.771 40 0 HJABRN O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1F ZINC000001380058 557257963 /nfs/dbraw/zinc/25/79/63/557257963.db2.gz MYALRBQPZNFFFY-HXUWFJFHSA-N 0 0 412.486 4.927 40 0 HJABRN O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(F)c1 ZINC000001380211 557258474 /nfs/dbraw/zinc/25/84/74/557258474.db2.gz SSBMAPMYPVJAPJ-JOCHJYFZSA-N 0 0 406.457 4.866 40 0 HJABRN O=C1C=C(N2CCC(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000001441836 557264566 /nfs/dbraw/zinc/26/45/66/557264566.db2.gz LMSLZTHKUOVPTR-UHFFFAOYSA-N 0 0 423.925 4.586 40 0 HJABRN O=C(c1ccccc1)[C@@H](c1ccccc1)[C@]1(O)C(=O)Nc2c1cc(Cl)cc2Cl ZINC000001624366 557276879 /nfs/dbraw/zinc/27/68/79/557276879.db2.gz DUESBWOCHRCRBK-GCJKJVERSA-N 0 0 412.272 4.800 40 0 HJABRN CNC(=O)Oc1ccc(Sc2ccc(OC(=O)NC)c(Cl)c2)cc1Cl ZINC000001671489 557279788 /nfs/dbraw/zinc/27/97/88/557279788.db2.gz YVWAXVNCSCWXQV-UHFFFAOYSA-N 0 0 401.271 4.581 40 0 HJABRN CC[C@H](OC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccco1 ZINC000001703554 557281702 /nfs/dbraw/zinc/28/17/02/557281702.db2.gz JJTVWUQFVYYFJR-SFHVURJKSA-N 0 0 406.504 4.590 40 0 HJABRN CCOc1ccccc1-c1nc(SCC(=O)Nc2cccc3ccccc32)n[nH]1 ZINC000408527299 557289634 /nfs/dbraw/zinc/28/96/34/557289634.db2.gz LVYBICKTRSEWQM-UHFFFAOYSA-N 0 0 404.495 4.754 40 0 HJABRN Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000035088351 557300136 /nfs/dbraw/zinc/30/01/36/557300136.db2.gz ZXSNIBDRNRUUAC-UHFFFAOYSA-N 0 0 421.881 4.789 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2C)cc1C ZINC000408546045 557379835 /nfs/dbraw/zinc/37/98/35/557379835.db2.gz PRAWEGRENQPQJO-UHFFFAOYSA-N 0 0 416.587 4.823 40 0 HJABRN C[C@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2)c1ccccc1 ZINC000002799816 557390027 /nfs/dbraw/zinc/39/00/27/557390027.db2.gz DBCALZNRLMASGI-RVSPLBMKSA-N 0 0 404.392 4.627 40 0 HJABRN COC(=O)c1ccc(CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)o1 ZINC000408553775 557442359 /nfs/dbraw/zinc/44/23/59/557442359.db2.gz BSGSZVRNQUAODQ-UHFFFAOYSA-N 0 0 424.400 4.843 40 0 HJABRN CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1 ZINC000408559271 557456668 /nfs/dbraw/zinc/45/66/68/557456668.db2.gz YWXPYGOZWKCLJS-UHFFFAOYSA-N 0 0 420.509 4.896 40 0 HJABRN O=C(C(=O)N1CCCCC1)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000408569540 557467074 /nfs/dbraw/zinc/46/70/74/557467074.db2.gz JLENRMYLGIEOHD-UHFFFAOYSA-N 0 0 410.901 4.569 40 0 HJABRN CCN1CCN(C(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)CC1 ZINC000408572113 557469121 /nfs/dbraw/zinc/46/91/21/557469121.db2.gz FFWDXWFBWJDJOX-UHFFFAOYSA-N 0 0 409.382 4.885 40 0 HJABRN COc1cccc(C(=S)N2CCOCC2)c1OCc1c(Cl)cccc1Cl ZINC000408572188 557469562 /nfs/dbraw/zinc/46/95/62/557469562.db2.gz FNLFTDLEKPZXNA-UHFFFAOYSA-N 0 0 412.338 4.589 40 0 HJABRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(OC)c1 ZINC000408564495 557471597 /nfs/dbraw/zinc/47/15/97/557471597.db2.gz YVZVLUOXFCTRRE-LNVKXUELSA-N 0 0 416.930 4.957 40 0 HJABRN COCCNC(=S)c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000408578566 557472669 /nfs/dbraw/zinc/47/26/69/557472669.db2.gz YVFGTIHUHZQSAD-UHFFFAOYSA-N 0 0 414.752 4.593 40 0 HJABRN CCOc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1 ZINC000408573745 557476594 /nfs/dbraw/zinc/47/65/94/557476594.db2.gz KGCYRULKCGMZCU-GOSISDBHSA-N 0 0 405.947 4.762 40 0 HJABRN O=C(C(=O)N1CCCCC1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000408575414 557478872 /nfs/dbraw/zinc/47/88/72/557478872.db2.gz WEOWJQZZHHCWRA-UHFFFAOYSA-N 0 0 410.901 4.569 40 0 HJABRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CCC(=O)[C@@](C)(OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000003849965 557500885 /nfs/dbraw/zinc/50/08/85/557500885.db2.gz VQRXERHIFBGNDD-TXJIFLBDSA-N 0 0 418.574 4.852 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2)cc1 ZINC000408617724 557534480 /nfs/dbraw/zinc/53/44/80/557534480.db2.gz IWGNRZBNSDKCAF-UHFFFAOYSA-N 0 0 424.522 4.835 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)CCc3ccccc3)cc2)cc1 ZINC000408622040 557548242 /nfs/dbraw/zinc/54/82/42/557548242.db2.gz AGMZAROVALKGHU-LJQANCHMSA-N 0 0 422.550 4.547 40 0 HJABRN COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccccc2)cc1 ZINC000408624234 557552621 /nfs/dbraw/zinc/55/26/21/557552621.db2.gz GHEQZVOQSPUXMO-UHFFFAOYSA-N 0 0 405.878 4.883 40 0 HJABRN CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000408626710 557559796 /nfs/dbraw/zinc/55/97/96/557559796.db2.gz VZSTVLQUVBSJGO-UHFFFAOYSA-N 0 0 414.571 4.547 40 0 HJABRN COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccccc2OC)cc1 ZINC000408628090 557561442 /nfs/dbraw/zinc/56/14/42/557561442.db2.gz SYPPRUYRYBHGQR-UHFFFAOYSA-N 0 0 417.914 4.753 40 0 HJABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2C(C)C)c(F)c1F ZINC000408628701 557562764 /nfs/dbraw/zinc/56/27/64/557562764.db2.gz WEOWMRQOVPAOKJ-UHFFFAOYSA-N 0 0 400.397 4.502 40 0 HJABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl ZINC000408628903 557563012 /nfs/dbraw/zinc/56/30/12/557563012.db2.gz XUBRTZNVXGCJKY-UHFFFAOYSA-N 0 0 402.825 4.803 40 0 HJABRN Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000408629085 557563038 /nfs/dbraw/zinc/56/30/38/557563038.db2.gz ZCMKILFSHRGYIP-UHFFFAOYSA-N 0 0 401.491 4.608 40 0 HJABRN COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 ZINC000408640073 557607528 /nfs/dbraw/zinc/60/75/28/557607528.db2.gz HDVSVYVONDNQJH-SFHVURJKSA-N 0 0 416.477 4.788 40 0 HJABRN CSc1nc2sc(C(=O)Nc3ccc(F)cc3F)cc2c(N2CCCCC2)n1 ZINC000408637052 557612151 /nfs/dbraw/zinc/61/21/51/557612151.db2.gz WRZKKDSJHDJEDN-UHFFFAOYSA-N 0 0 420.510 4.934 40 0 HJABRN O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 ZINC000408662311 557642962 /nfs/dbraw/zinc/64/29/62/557642962.db2.gz RHCBLHKJGYRMED-TUUBTQOTSA-N 0 0 420.295 4.784 40 0 HJABRN Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000005443048 557653822 /nfs/dbraw/zinc/65/38/22/557653822.db2.gz NIPVDCFCYJEBAG-UHFFFAOYSA-N 0 0 420.962 4.809 40 0 HJABRN CCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 ZINC000035264150 557657817 /nfs/dbraw/zinc/65/78/17/557657817.db2.gz IFWAJAWRKZAYCI-UHFFFAOYSA-N 0 0 420.852 4.792 40 0 HJABRN O=C(Nc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1)c1ccccc1 ZINC000408672255 557665104 /nfs/dbraw/zinc/66/51/04/557665104.db2.gz MXADWCXBWZYXSY-UHFFFAOYSA-N 0 0 421.250 4.502 40 0 HJABRN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000005697874 557669043 /nfs/dbraw/zinc/66/90/43/557669043.db2.gz KJQFRUVVYWXSFP-UHFFFAOYSA-N 0 0 400.887 4.980 40 0 HJABRN Cc1nc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)sc1C ZINC000035289275 557670970 /nfs/dbraw/zinc/67/09/70/557670970.db2.gz DFBYPKMKGNXZAJ-UHFFFAOYSA-N 0 0 408.552 4.889 40 0 HJABRN CCCn1c(SCC(=O)Nc2c(C)ccc3ccccc32)nnc1-c1ccccn1 ZINC000035289529 557672411 /nfs/dbraw/zinc/67/24/11/557672411.db2.gz PXFWMTWASMAONX-UHFFFAOYSA-N 0 0 417.538 4.943 40 0 HJABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2F)cc1 ZINC000408674677 557674367 /nfs/dbraw/zinc/67/43/67/557674367.db2.gz BFDIRLBSTHTJHX-UHFFFAOYSA-N 0 0 402.425 4.966 40 0 HJABRN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 ZINC000005875960 557678583 /nfs/dbraw/zinc/67/85/83/557678583.db2.gz 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COC(=O)c1cc2c(cc1C[C@H](Cc1ccc3c(c1)CCCC3)C(=O)OC)CCCC2 ZINC000006385201 557700961 /nfs/dbraw/zinc/70/09/61/557700961.db2.gz OILATIFACRLTIN-DEOSSOPVSA-N 0 0 420.549 4.805 40 0 HJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1Cl ZINC000006390966 557701183 /nfs/dbraw/zinc/70/11/83/557701183.db2.gz SUMFQICCQMBFIJ-UHFFFAOYSA-N 0 0 400.887 4.528 40 0 HJABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000006529816 557706729 /nfs/dbraw/zinc/70/67/29/557706729.db2.gz DHHUIWMQHZDCMB-SDNWHVSQSA-N 0 0 402.837 4.793 40 0 HJABRN CCc1cc(I)ccc1NC(=O)c1cccc(OC(C)C)c1 ZINC000006555738 557707887 /nfs/dbraw/zinc/70/78/87/557707887.db2.gz PYSVDKDDXOYJSS-UHFFFAOYSA-N 0 0 409.267 4.893 40 0 HJABRN Cc1cc(I)cc(C)c1NC(=O)Cn1ccc2ccccc21 ZINC000006571500 557708310 /nfs/dbraw/zinc/70/83/10/557708310.db2.gz GCYMWQDMSBGMAS-UHFFFAOYSA-N 0 0 404.251 4.501 40 0 HJABRN CCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(C)cc32)cc1OCC ZINC000006601874 557709940 /nfs/dbraw/zinc/70/99/40/557709940.db2.gz 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O=C(NC1CCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704898 557730224 /nfs/dbraw/zinc/73/02/24/557730224.db2.gz VHGIGQGYYGOGAJ-QFIPXVFZSA-N 0 0 414.958 4.787 40 0 HJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)cc2)c(C)c1 ZINC000006964502 557731323 /nfs/dbraw/zinc/73/13/23/557731323.db2.gz ACOQYIXAZDKTTO-UHFFFAOYSA-N 0 0 409.536 4.744 40 0 HJABRN Cc1cccc(N2C[C@H](C(=O)NCCC(c3ccccc3)c3ccccc3)CC2=O)c1 ZINC000408707377 557733559 /nfs/dbraw/zinc/73/35/59/557733559.db2.gz JRGMSMOBOGINQW-HSZRJFAPSA-N 0 0 412.533 4.686 40 0 HJABRN Cc1ccc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c(C)c1 ZINC000408714380 557753040 /nfs/dbraw/zinc/75/30/40/557753040.db2.gz PSUBNGZSTZVGJJ-UHFFFAOYSA-N 0 0 407.514 4.688 40 0 HJABRN Fc1ccc(N2[C@H](n3nnc4ccccc43)CCC[C@H]2n2nnc3ccccc32)cc1 ZINC000408722466 557769842 /nfs/dbraw/zinc/76/98/42/557769842.db2.gz UOTANFADQCVGAX-DHIUTWEWSA-N 0 0 413.460 4.703 40 0 HJABRN Cc1ccccc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S ZINC000008571393 557795343 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COc1cc(CNc2ncc(-c3ccsc3)c(-c3cccnc3)n2)cc(OC)c1 ZINC000012222557 558356419 /nfs/dbraw/zinc/35/64/19/558356419.db2.gz UDWUKYUAPCOYJJ-UHFFFAOYSA-N 0 0 404.495 4.896 40 0 HJABRN Cc1ccc(-c2ccccc2CC2(C(=O)NCC3CCOCC3)CCOCC2)c(C)c1 ZINC000012231655 558358021 /nfs/dbraw/zinc/35/80/21/558358021.db2.gz CZDYMJSBYLHWPB-UHFFFAOYSA-N 0 0 421.581 4.853 40 0 HJABRN CC(C)Cn1nc([C@@H](Cc2ccccc2)NC(=O)c2ccccc2F)c2cccnc21 ZINC000012236280 558358744 /nfs/dbraw/zinc/35/87/44/558358744.db2.gz ZXIXTLOMIXMDJG-JOCHJYFZSA-N 0 0 416.500 4.940 40 0 HJABRN COC(=O)c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1C ZINC000020484341 558376242 /nfs/dbraw/zinc/37/62/42/558376242.db2.gz DYQVQFULIOORPS-UHFFFAOYSA-N 0 0 414.505 4.987 40 0 HJABRN O=C(NC1CCCCC1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020503179 558381066 /nfs/dbraw/zinc/38/10/66/558381066.db2.gz YTYAPVGYPPCNTA-UHFFFAOYSA-N 0 0 413.512 4.714 40 0 HJABRN CC(C)COc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 ZINC000020610408 558390491 /nfs/dbraw/zinc/39/04/91/558390491.db2.gz WJQWVRFXCKURHY-UHFFFAOYSA-N 0 0 404.445 4.847 40 0 HJABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 ZINC000020610579 558390710 /nfs/dbraw/zinc/39/07/10/558390710.db2.gz TWMMIRHUEWDAOL-UHFFFAOYSA-N 0 0 414.465 4.567 40 0 HJABRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1Cl ZINC000020610825 558390985 /nfs/dbraw/zinc/39/09/85/558390985.db2.gz DTOSNZIFTLCHAH-KPKJPENVSA-N 0 0 404.857 4.734 40 0 HJABRN Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)cc1 ZINC000020632389 558394994 /nfs/dbraw/zinc/39/49/94/558394994.db2.gz MAKSTOYPIPJSLT-IBGZPJMESA-N 0 0 414.534 4.946 40 0 HJABRN Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)cc1 ZINC000020632386 558394999 /nfs/dbraw/zinc/39/49/99/558394999.db2.gz HRVUUCHWLCSZJM-GOSISDBHSA-N 0 0 400.507 4.638 40 0 HJABRN CCCOc1ccc([C@H]2C(C(=O)OCC)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020633441 558395156 /nfs/dbraw/zinc/39/51/56/558395156.db2.gz SMIFGJPNYXADPG-QFIPXVFZSA-N 0 0 421.497 4.686 40 0 HJABRN CCCCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)C1=O ZINC000020636575 558395884 /nfs/dbraw/zinc/39/58/84/558395884.db2.gz VFOQDOILVPBIPL-AREMUKBSSA-N 0 0 411.505 4.754 40 0 HJABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(CC)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020638328 558396654 /nfs/dbraw/zinc/39/66/54/558396654.db2.gz AOPMPPGJEYOLEU-FGZHOGPDSA-N 0 0 419.525 4.514 40 0 HJABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccccc2C)[C@@H](C(=O)OCC)C1=O ZINC000020675875 558399931 /nfs/dbraw/zinc/39/99/31/558399931.db2.gz OHOJNZLHXQFCCK-FGZHOGPDSA-N 0 0 419.525 4.650 40 0 HJABRN CCOC(=O)c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000012496336 558423798 /nfs/dbraw/zinc/42/37/98/558423798.db2.gz CXSYOLVTYOLVTN-UHFFFAOYSA-N 0 0 418.518 4.508 40 0 HJABRN CC[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(OC)cc1 ZINC000021837127 558451782 /nfs/dbraw/zinc/45/17/82/558451782.db2.gz VXSTVOKSPRHOCG-MRXNPFEDSA-N 0 0 412.711 4.757 40 0 HJABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c(=O)c2cc(Cl)ccc21 ZINC000022235043 558470267 /nfs/dbraw/zinc/47/02/67/558470267.db2.gz LGDGZCUXMLHNNI-ZDUSSCGKSA-N 0 0 400.931 4.888 40 0 HJABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)c(=O)c2cc(C)ccc21 ZINC000022234763 558470328 /nfs/dbraw/zinc/47/03/28/558470328.db2.gz PETRVMCDHPKSKW-AWEZNQCLSA-N 0 0 413.315 4.583 40 0 HJABRN CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)cc1 ZINC000022256854 558474463 /nfs/dbraw/zinc/47/44/63/558474463.db2.gz VLGNEADQXNHWNS-UHFFFAOYSA-N 0 0 413.543 4.849 40 0 HJABRN Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 ZINC000022256884 558474476 /nfs/dbraw/zinc/47/44/76/558474476.db2.gz UGRYKRGKUJUTEQ-UHFFFAOYSA-N 0 0 413.543 4.768 40 0 HJABRN CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)C1CCCCC1 ZINC000022525937 558495816 /nfs/dbraw/zinc/49/58/16/558495816.db2.gz RTELBHIXJOGFLV-UHFFFAOYSA-N 0 0 406.935 4.546 40 0 HJABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000022533012 558497485 /nfs/dbraw/zinc/49/74/85/558497485.db2.gz YPZRINZBYXYSMG-SFHVURJKSA-N 0 0 423.918 4.653 40 0 HJABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022606070 558500585 /nfs/dbraw/zinc/50/05/85/558500585.db2.gz RBJKLWBITYVLQT-LBPRGKRZSA-N 0 0 406.379 4.670 40 0 HJABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccccc3F)cc2n1 ZINC000013225479 558526525 /nfs/dbraw/zinc/52/65/25/558526525.db2.gz VBLMXKNEYQZEBI-MRXNPFEDSA-N 0 0 406.383 4.563 40 0 HJABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(Br)c1 ZINC000013634656 558553293 /nfs/dbraw/zinc/55/32/93/558553293.db2.gz XUYNBZXOPKJXSJ-SFHVURJKSA-N 0 0 412.287 4.651 40 0 HJABRN O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc(OC2CCCC2)cc1 ZINC000013669022 558560767 /nfs/dbraw/zinc/56/07/67/558560767.db2.gz IYXSEDRUJYYEFS-UHFFFAOYSA-N 0 0 410.333 4.712 40 0 HJABRN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc43)ccc2C)c1 ZINC000013671327 558562528 /nfs/dbraw/zinc/56/25/28/558562528.db2.gz JHBMHESTLOCDKD-UHFFFAOYSA-N 0 0 420.534 4.616 40 0 HJABRN CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Br)cc2)c1C ZINC000013674689 558563874 /nfs/dbraw/zinc/56/38/74/558563874.db2.gz 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CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OCC)cc1 ZINC000222888156 568529678 /nfs/dbraw/zinc/52/96/78/568529678.db2.gz OQBMUTVLFZCKAS-FCHUYYIVSA-N 0 0 406.555 4.654 40 0 HJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccncc1 ZINC000222907987 568530400 /nfs/dbraw/zinc/53/04/00/568530400.db2.gz CVCNYHKNGDTGFK-DHIUTWEWSA-N 0 0 419.598 4.572 40 0 HJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000222918483 568530758 /nfs/dbraw/zinc/53/07/58/568530758.db2.gz SLDPBQOZYDMNJL-NRFANRHFSA-N 0 0 401.915 4.725 40 0 HJABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222934561 568531521 /nfs/dbraw/zinc/53/15/21/568531521.db2.gz IWCPPCUDLDMEOP-PMACEKPBSA-N 0 0 411.962 4.549 40 0 HJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccco2)c1C ZINC000222955389 568532196 /nfs/dbraw/zinc/53/21/96/568532196.db2.gz RZPBBOXNYOZNCE-FCHUYYIVSA-N 0 0 408.571 4.914 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000222962202 568532418 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CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 ZINC000223016437 568534394 /nfs/dbraw/zinc/53/43/94/568534394.db2.gz NGFNUVJUFPJMHQ-QRWLVFNGSA-N 0 0 402.922 4.973 40 0 HJABRN O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000025868616 568534422 /nfs/dbraw/zinc/53/44/22/568534422.db2.gz SPDNGAVOJSGBDZ-UHFFFAOYSA-N 0 0 421.722 4.593 40 0 HJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 ZINC000223027915 568534813 /nfs/dbraw/zinc/53/48/13/568534813.db2.gz YSTYXFKEQIAZHN-DLBZAZTESA-N 0 0 418.990 4.764 40 0 HJABRN CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1NC(=O)C(C)C ZINC000223057724 568536007 /nfs/dbraw/zinc/53/60/07/568536007.db2.gz OVGZXMGUICOYEC-UHFFFAOYSA-N 0 0 406.573 4.729 40 0 HJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223062520 568536203 /nfs/dbraw/zinc/53/62/03/568536203.db2.gz SXHXMCCACGLDMM-RTBURBONSA-N 0 0 414.977 4.831 40 0 HJABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)nc1 ZINC000223086216 568537036 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CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C)c(C)c1 ZINC000223163722 568539792 /nfs/dbraw/zinc/53/97/92/568539792.db2.gz UFKCQWOPWMQBTK-LEYFIJQKSA-N 0 0 402.494 4.935 40 0 HJABRN CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccccc1 ZINC000223184996 568540547 /nfs/dbraw/zinc/54/05/47/568540547.db2.gz RFSDWDZCNYRYPF-YVUGPFRESA-N 0 0 420.534 4.795 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000223208835 568541112 /nfs/dbraw/zinc/54/11/12/568541112.db2.gz TUQMNVYBPHRWSR-QHCPKHFHSA-N 0 0 424.585 4.876 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C ZINC000223258357 568542805 /nfs/dbraw/zinc/54/28/05/568542805.db2.gz WXSZLVMWHZIYMC-JOCHJYFZSA-N 0 0 424.585 4.713 40 0 HJABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C ZINC000223274533 568543707 /nfs/dbraw/zinc/54/37/07/568543707.db2.gz JHDUOFKLQUMINE-DEOSSOPVSA-N 0 0 424.585 4.598 40 0 HJABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223276920 568543773 /nfs/dbraw/zinc/54/37/73/568543773.db2.gz UATYKXLMIQQYBV-XMMPIXPASA-N 0 0 403.522 4.862 40 0 HJABRN Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 ZINC000223322110 568545227 /nfs/dbraw/zinc/54/52/27/568545227.db2.gz MQVJDJWZRIYNRY-WTOYTKOKSA-N 0 0 423.513 4.632 40 0 HJABRN Cc1cccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 ZINC000223322636 568545228 /nfs/dbraw/zinc/54/52/28/568545228.db2.gz KHZXCSYBNPWYIZ-QJOMJCCJSA-N 0 0 418.562 4.885 40 0 HJABRN CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000223334523 568545604 /nfs/dbraw/zinc/54/56/04/568545604.db2.gz WJUUHYCXPCOADK-HSZRJFAPSA-N 0 0 406.913 4.746 40 0 HJABRN CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223334398 568545629 /nfs/dbraw/zinc/54/56/29/568545629.db2.gz ISPWWGUNUXMNIA-HSZRJFAPSA-N 0 0 406.913 4.746 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000223355741 568546265 /nfs/dbraw/zinc/54/62/65/568546265.db2.gz PMLPORMWUNAEIN-FQEVSTJZSA-N 0 0 421.368 4.788 40 0 HJABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000223358201 568546274 /nfs/dbraw/zinc/54/62/74/568546274.db2.gz ZYACEUSRSIFFLI-OAHLLOKOSA-N 0 0 413.905 4.906 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223359666 568546415 /nfs/dbraw/zinc/54/64/15/568546415.db2.gz WYEXCRVDYIXZJE-NRFANRHFSA-N 0 0 414.977 4.913 40 0 HJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 ZINC000223408752 568547758 /nfs/dbraw/zinc/54/77/58/568547758.db2.gz MOVNULQONDJVMD-RTBURBONSA-N 0 0 415.971 4.978 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(Cl)c1Cl ZINC000223422339 568548494 /nfs/dbraw/zinc/54/84/94/568548494.db2.gz PSZPDVFRJQDMCK-ZDUSSCGKSA-N 0 0 402.343 4.967 40 0 HJABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223485399 568550248 /nfs/dbraw/zinc/55/02/48/568550248.db2.gz JOEHDCNISIJNHX-XMMPIXPASA-N 0 0 418.512 4.868 40 0 HJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc21 ZINC000223589601 568552504 /nfs/dbraw/zinc/55/25/04/568552504.db2.gz FNFBMKBTDHKTKA-HXUWFJFHSA-N 0 0 402.538 4.634 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223596548 568552843 /nfs/dbraw/zinc/55/28/43/568552843.db2.gz AKKDIFPSFWHVBH-XMMPIXPASA-N 0 0 424.585 4.913 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000223606413 568553088 /nfs/dbraw/zinc/55/30/88/568553088.db2.gz ZNLYFWHIZSNCKX-NRFANRHFSA-N 0 0 400.950 4.606 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 ZINC000223613008 568553379 /nfs/dbraw/zinc/55/33/79/568553379.db2.gz OXKDHJNYJLLRPM-HSZRJFAPSA-N 0 0 424.585 4.658 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000223640071 568554442 /nfs/dbraw/zinc/55/44/42/568554442.db2.gz VVRBFZZNIZFSCL-XMMPIXPASA-N 0 0 424.585 4.878 40 0 HJABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 ZINC000223695518 568556404 /nfs/dbraw/zinc/55/64/04/568556404.db2.gz KNWAKBHFLJTBBR-MIDMBNTASA-N 0 0 402.494 4.853 40 0 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/nfs/dbraw/zinc/34/49/69/569344969.db2.gz VOLIWUJMBYOXKE-YBEGLDIGSA-N 0 0 423.808 4.505 40 0 HJABRN COc1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000016410024 569345114 /nfs/dbraw/zinc/34/51/14/569345114.db2.gz XHMIXEMIAGMENF-YSKWHIJTSA-N 0 0 417.421 4.648 40 0 HJABRN Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3ccnn3C(C)C)CC2)n1 ZINC000019690634 569345855 /nfs/dbraw/zinc/34/58/55/569345855.db2.gz PEVYLOZWCZFWJZ-UHFFFAOYSA-N 0 0 406.505 4.993 40 0 HJABRN C[C@@H]1Cc2cc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)ccc2O1 ZINC000025767156 569349930 /nfs/dbraw/zinc/34/99/30/569349930.db2.gz AHYBNLWIFFFWHQ-CQSZACIVSA-N 0 0 405.538 4.983 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c(C)c1 ZINC000028206840 569350077 /nfs/dbraw/zinc/35/00/77/569350077.db2.gz WTDRPTATKJLIFF-SFHVURJKSA-N 0 0 420.534 4.696 40 0 HJABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)o1 ZINC000033475456 569350551 /nfs/dbraw/zinc/35/05/51/569350551.db2.gz JUFUPYFSQVLSKD-MKMNVTDBSA-N 0 0 412.250 4.610 40 0 HJABRN COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1Cl ZINC000035168199 569351622 /nfs/dbraw/zinc/35/16/22/569351622.db2.gz SCDUXNXMRYMELU-UHFFFAOYSA-N 0 0 424.353 4.729 40 0 HJABRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(OC)c1OC ZINC000104353151 569352612 /nfs/dbraw/zinc/35/26/12/569352612.db2.gz HYXOATCEUFLRBA-UHFFFAOYSA-N 0 0 400.500 4.749 40 0 HJABRN CC(C)C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000107732100 569352858 /nfs/dbraw/zinc/35/28/58/569352858.db2.gz NSUHORLCGYZMLH-UHFFFAOYSA-N 0 0 400.887 4.582 40 0 HJABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 ZINC000107851959 569353071 /nfs/dbraw/zinc/35/30/71/569353071.db2.gz ASUOXWRHZAOZLM-UHFFFAOYSA-N 0 0 410.543 4.557 40 0 HJABRN CCc1cccc(CC)c1NC(=O)c1ccccc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000136532788 569353993 /nfs/dbraw/zinc/35/39/93/569353993.db2.gz ZTJNRSNOICUHNI-KDURUIRLSA-N 0 0 404.510 4.743 40 0 HJABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@@H]3C2=O)cc1 ZINC000136693859 569354019 /nfs/dbraw/zinc/35/40/19/569354019.db2.gz LNJWLEAQFHWGMC-BKTGTZMESA-N 0 0 410.901 4.826 40 0 HJABRN Cc1c(Cl)cccc1NC(=O)c1ccccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@@H]2C1=O ZINC000136693753 569354041 /nfs/dbraw/zinc/35/40/41/569354041.db2.gz LRNDWIYNZVSONC-LXZKKBNFSA-N 0 0 410.901 4.826 40 0 HJABRN Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C ZINC000138760644 569354218 /nfs/dbraw/zinc/35/42/18/569354218.db2.gz PVTLQWBLQCFYBL-UHFFFAOYSA-N 0 0 423.296 4.511 40 0 HJABRN O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000139042872 569354277 /nfs/dbraw/zinc/35/42/77/569354277.db2.gz IYGWQRUHDDZCGT-UHFFFAOYSA-N 0 0 403.059 4.551 40 0 HJABRN CCn1cc(-c2cc(C(=O)NCC(C)(C)c3cccc(F)c3)c3ccccc3n2)cn1 ZINC000141545496 569354651 /nfs/dbraw/zinc/35/46/51/569354651.db2.gz VGUQZGJUFDHBHA-UHFFFAOYSA-N 0 0 416.500 4.965 40 0 HJABRN CC1CCN([C@H](C(=O)Nc2nnc(-c3ccccc3F)s2)c2ccccc2)CC1 ZINC000141591950 569355070 /nfs/dbraw/zinc/35/50/70/569355070.db2.gz VSDWZDVJGDNGRV-IBGZPJMESA-N 0 0 410.518 4.756 40 0 HJABRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)c1 ZINC000211972092 569356002 /nfs/dbraw/zinc/35/60/02/569356002.db2.gz FAANRHSZJSSUEL-LICLKQGHSA-N 0 0 400.887 4.632 40 0 HJABRN CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(CSc2ccc(Cl)cc2)cs1 ZINC000008815939 569390404 /nfs/dbraw/zinc/39/04/04/569390404.db2.gz RRCDXGWIIDIBOV-QGZVFWFLSA-N 0 0 422.959 4.885 40 0 HJABRN O=C(CSc1nnc(-c2cccnc2)o1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000008871582 569390742 /nfs/dbraw/zinc/39/07/42/569390742.db2.gz FNTTYIAEJHTZRT-UHFFFAOYSA-N 0 0 414.796 4.535 40 0 HJABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000009428384 569392812 /nfs/dbraw/zinc/39/28/12/569392812.db2.gz LWGQZJYYCUEDKM-GVAUOCQISA-N 0 0 420.468 4.891 40 0 HJABRN C=C1c2cc(OC)c(OC)cc2CCN1C(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000018258293 569414073 /nfs/dbraw/zinc/41/40/73/569414073.db2.gz TZSDXMFLPZMOMW-IWENEADUSA-N 0 0 401.934 4.637 40 0 HJABRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2C)cc1 ZINC000010264449 571039396 /nfs/dbraw/zinc/03/93/96/571039396.db2.gz YKPBETBROOTFGU-UHFFFAOYSA-N 0 0 407.326 4.828 40 0 HJABRN FC(F)(F)Oc1ccc2c(c1)CN(c1cc(C3CC3)nc(NC3CCCC3)n1)CC2 ZINC000329065087 571304922 /nfs/dbraw/zinc/30/49/22/571304922.db2.gz XOYXFPDMMBBJKT-UHFFFAOYSA-N 0 0 418.463 5.170 40 0 HJABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329011518 571305910 /nfs/dbraw/zinc/30/59/10/571305910.db2.gz MGEYPQMKQMJOAP-LJQANCHMSA-N 0 0 400.885 5.109 40 0 HJABRN CC(C)[C@H](CO)Nc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)n1 ZINC000329070898 571306260 /nfs/dbraw/zinc/30/62/60/571306260.db2.gz ZKTXVFFVJZBSSH-HNNXBMFYSA-N 0 0 414.859 5.199 40 0 HJABRN Cc1ccc(Nc2cc(-c3cccnc3)nc(NC(C)(C)C)n2)c(Br)c1 ZINC000328990326 571308345 /nfs/dbraw/zinc/30/83/45/571308345.db2.gz INJQONXJTOPNIY-UHFFFAOYSA-N 0 0 412.335 5.564 40 0 HJABRN COc1cc2sc(NC(=S)NC(=O)c3cccc(Cl)c3)nc2cc1Cl ZINC000032126618 571308763 /nfs/dbraw/zinc/30/87/63/571308763.db2.gz WNIDSMSCTNBJFZ-UHFFFAOYSA-N 0 0 412.323 4.739 40 0 HJABRN CC[C@@H](C)Nc1nc(Nc2ccc(Br)cc2C)cc(-c2ccccn2)n1 ZINC000329060626 571309186 /nfs/dbraw/zinc/30/91/86/571309186.db2.gz WMYDPINMFNWXAG-CQSZACIVSA-N 0 0 412.335 5.564 40 0 HJABRN CC[C@H](C)Nc1nc(-c2ccccc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329071539 571309473 /nfs/dbraw/zinc/30/94/73/571309473.db2.gz ZQSUFPBQPHGDLF-NSHDSACASA-N 0 0 405.399 5.349 40 0 HJABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)cc2C)cc(-c2ccncc2)n1 ZINC000329013093 571309487 /nfs/dbraw/zinc/30/94/87/571309487.db2.gz MOGIDIHWOVARKN-AWEZNQCLSA-N 0 0 412.335 5.564 40 0 HJABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)c(C)c2)cc(-c2ccncc2)n1 ZINC000328987050 571309551 /nfs/dbraw/zinc/30/95/51/571309551.db2.gz IAHIGJBESSNOPR-AWEZNQCLSA-N 0 0 412.335 5.564 40 0 HJABRN Cc1nc2cc(Nc3cc(-c4ccccc4)nc(N[C@H](CO)C(C)C)n3)ccc2s1 ZINC000328993069 571309942 /nfs/dbraw/zinc/30/99/42/571309942.db2.gz IYHZQHSWVPEWPE-HXUWFJFHSA-N 0 0 419.554 5.234 40 0 HJABRN CCn1c2ccccc2c(C(=O)Nc2ccccc2)c(NC(=O)c2ccccc2)c1=O ZINC000012413765 291275650 /nfs/dbraw/zinc/27/56/50/291275650.db2.gz FSYBTZUSYJTTCZ-UHFFFAOYSA-N 0 0 411.461 4.526 40 0 biogenic,in-vitro HJABRN CC(C)(C)c1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000005094326 132300740 /nfs/dbraw/zinc/30/07/40/132300740.db2.gz VUYGIKKZQHDADZ-UHFFFAOYSA-N 0 0 420.475 4.731 40 0 HJABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000006249069 132309975 /nfs/dbraw/zinc/30/99/75/132309975.db2.gz CXKPQGGOABYIJX-OAHLLOKOSA-N 0 0 403.320 4.845 40 0 HJABRN Brc1cccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)c1 ZINC000329013506 518220972 /nfs/dbraw/zinc/22/09/72/518220972.db2.gz MQCQIOVSLAJSQD-UHFFFAOYSA-N 0 0 424.346 4.633 40 0 HJABRN CC(C)Oc1ccc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000225833668 519781095 /nfs/dbraw/zinc/78/10/95/519781095.db2.gz DVMQSPKQMVHPPV-UHFFFAOYSA-N 0 0 402.907 4.664 40 0 HJABRN CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000041001913 520721803 /nfs/dbraw/zinc/72/18/03/520721803.db2.gz YEBWBTQOBJOINA-UHFFFAOYSA-N 0 0 407.470 4.573 40 0 HJABRN CCOC(=O)COc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cc1 ZINC000225935053 520803017 /nfs/dbraw/zinc/80/30/17/520803017.db2.gz ZXDDEAMBSHKTNM-UHFFFAOYSA-N 0 0 417.505 4.963 40 0 HJABRN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cccc(OC)c2)n1 ZINC000072390675 521543788 /nfs/dbraw/zinc/54/37/88/521543788.db2.gz ODGXVGVOGSALOU-QFIPXVFZSA-N 0 0 416.525 4.867 40 0 HJABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1 ZINC000021905646 522536486 /nfs/dbraw/zinc/53/64/86/522536486.db2.gz SYPDFYXAZSBIMZ-QFIPXVFZSA-N 0 0 408.523 4.677 40 0 HJABRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 ZINC000044840930 522792311 /nfs/dbraw/zinc/79/23/11/522792311.db2.gz PPEQSXLPXYPQJY-JOCHJYFZSA-N 0 0 408.523 4.677 40 0 HJABRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccc(C)cc1 ZINC000044904396 522792698 /nfs/dbraw/zinc/79/26/98/522792698.db2.gz IRLWGGTZFJFBOE-JOCHJYFZSA-N 0 0 422.550 4.985 40 0 HJABRN CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Br)cc1Cl ZINC000044899940 523223832 /nfs/dbraw/zinc/22/38/32/523223832.db2.gz HNBUWFABNKIFML-UHFFFAOYSA-N 0 0 403.103 4.793 40 0 HJABRN CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc(C(F)(F)F)c1 ZINC000032611771 523227402 /nfs/dbraw/zinc/22/74/02/523227402.db2.gz OYLCOXYKNYBMDV-UHFFFAOYSA-N 0 0 424.423 4.854 40 0 HJABRN Cc1ccc(C2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000032101117 524232138 /nfs/dbraw/zinc/23/21/38/524232138.db2.gz ZMONJDRLEVGSRC-NRFANRHFSA-N 0 0 404.432 4.794 40 0 HJABRN COc1ccccc1-c1nc2c3ccccc3nc(SCC(=O)c3ccco3)n2n1 ZINC000010157703 524281424 /nfs/dbraw/zinc/28/14/24/524281424.db2.gz FUFYGEYTYJIOTC-UHFFFAOYSA-N 0 0 416.462 4.521 40 0 HJABRN COc1ccccc1CN(C)C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000020047504 524428092 /nfs/dbraw/zinc/42/80/92/524428092.db2.gz CGYWEMXUKXUIDT-UHFFFAOYSA-N 0 0 420.347 4.793 40 0 HJABRN COc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1-c1ccc(CO)o1 ZINC000020151207 524506433 /nfs/dbraw/zinc/50/64/33/524506433.db2.gz PKGUVDWPCROKNO-UHFFFAOYSA-N 0 0 403.887 4.832 40 0 HJABRN Cc1ccccc1-c1cncc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 ZINC000072359837 525007132 /nfs/dbraw/zinc/00/71/32/525007132.db2.gz INOMZZNRMXXZAG-UHFFFAOYSA-N 0 0 403.501 4.930 40 0 HJABRN COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000225806102 525133483 /nfs/dbraw/zinc/13/34/83/525133483.db2.gz LQTBRMMESZGDED-CYBMUJFWSA-N 0 0 419.403 4.574 40 0 HJABRN COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000044408221 525173573 /nfs/dbraw/zinc/17/35/73/525173573.db2.gz SPLRYQBIIXAWSV-SOLBZPMBSA-N 0 0 415.452 4.563 40 0 HJABRN Cc1ccccc1[C@@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccccc1 ZINC000020110334 525376212 /nfs/dbraw/zinc/37/62/12/525376212.db2.gz ROHNJQMFKJXBIB-NRFANRHFSA-N 0 0 403.906 4.997 40 0 HJABRN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000020029883 525574771 /nfs/dbraw/zinc/57/47/71/525574771.db2.gz JLGDKKRPOXYDIZ-SECBINFHSA-N 0 0 409.132 4.795 40 0 HJABRN 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ZINC000222770331 568525970 /nfs/dbraw/zinc/52/59/70/568525970.db2.gz QJHUIXSDEJDCSQ-UHFFFAOYSA-N 0 0 416.502 4.571 40 0 HJABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 ZINC000222818626 568527301 /nfs/dbraw/zinc/52/73/01/568527301.db2.gz JNFUNQNSGWQQBZ-PMACEKPBSA-N 0 0 419.579 4.863 40 0 HJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000222822558 568527418 /nfs/dbraw/zinc/52/74/18/568527418.db2.gz XNGNWKNTKDBGBO-OAHLLOKOSA-N 0 0 421.368 4.868 40 0 HJABRN CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1 ZINC000222842627 568528094 /nfs/dbraw/zinc/52/80/94/568528094.db2.gz RZRURTJJTGZADI-YADHBBJMSA-N 0 0 406.555 4.652 40 0 HJABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222855280 568528554 /nfs/dbraw/zinc/52/85/54/568528554.db2.gz DWAKNBWYXLONAZ-GOSISDBHSA-N 0 0 414.977 4.831 40 0 HJABRN COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)c1 ZINC000222857194 568528611 /nfs/dbraw/zinc/52/86/11/568528611.db2.gz QAPLYCLYJYNOKE-LEWJYISDSA-N 0 0 421.522 4.509 40 0 HJABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(I)cc2)cc1 ZINC000222873284 568529237 /nfs/dbraw/zinc/52/92/37/568529237.db2.gz UAQFNGDQUIVJOC-KRWDZBQOSA-N 0 0 409.267 4.650 40 0 HJABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OCC)cc1 ZINC000222888027 568529637 /nfs/dbraw/zinc/52/96/37/568529637.db2.gz OQBMUTVLFZCKAS-VXKWHMMOSA-N 0 0 406.555 4.654 40 0 HJABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 ZINC000222924265 568531161 /nfs/dbraw/zinc/53/11/61/568531161.db2.gz WMSWCNXRIRZICJ-QGZVFWFLSA-N 0 0 418.990 4.517 40 0 HJABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000222944812 568531977 /nfs/dbraw/zinc/53/19/77/568531977.db2.gz KWEIDNMLCXDKBH-HSZRJFAPSA-N 0 0 424.585 4.563 40 0 HJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccncc2)c1C ZINC000222953058 568532101 /nfs/dbraw/zinc/53/21/01/568532101.db2.gz PPNQUDSCDYIXNM-XZOQPEGZSA-N 0 0 419.598 4.716 40 0 HJABRN O=C(COc1ccc(Cl)cc1)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000222971861 568532645 /nfs/dbraw/zinc/53/26/45/568532645.db2.gz UIJPOWBBIOMHBD-UHFFFAOYSA-N 0 0 404.297 4.539 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl ZINC000222988744 568533373 /nfs/dbraw/zinc/53/33/73/568533373.db2.gz MVSQJJAMTDWBML-GOSISDBHSA-N 0 0 400.950 4.606 40 0 HJABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000222991215 568533495 /nfs/dbraw/zinc/53/34/95/568533495.db2.gz KXRGEYKXUVVIJN-NRFANRHFSA-N 0 0 420.475 4.828 40 0 HJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 ZINC000223032487 568534887 /nfs/dbraw/zinc/53/48/87/568534887.db2.gz DHEQWMBJBPQEMI-ROUUACIJSA-N 0 0 400.950 4.605 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000223035864 568535008 /nfs/dbraw/zinc/53/50/08/568535008.db2.gz OSLWMNHMHWQSDJ-OAQYLSRUSA-N 0 0 408.586 4.824 40 0 HJABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000223035844 568535031 /nfs/dbraw/zinc/53/50/31/568535031.db2.gz BLVITGFILHQYCQ-INIZCTEOSA-N 0 0 419.934 4.966 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 ZINC000223035933 568535136 /nfs/dbraw/zinc/53/51/36/568535136.db2.gz OSLWMNHMHWQSDJ-NRFANRHFSA-N 0 0 408.586 4.824 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223047336 568535575 /nfs/dbraw/zinc/53/55/75/568535575.db2.gz RQFMZAILFGHUER-FQEVSTJZSA-N 0 0 412.599 4.811 40 0 HJABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 ZINC000223050299 568535604 /nfs/dbraw/zinc/53/56/04/568535604.db2.gz JCHRBMXBSPUXLK-RUZDIDTESA-N 0 0 414.549 4.661 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223052873 568535764 /nfs/dbraw/zinc/53/57/64/568535764.db2.gz LHPZQWUWOQFSBH-IBGZPJMESA-N 0 0 424.585 4.522 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223075459 568536624 /nfs/dbraw/zinc/53/66/24/568536624.db2.gz PNOMTIIPKWLQDD-SFHVURJKSA-N 0 0 400.950 4.525 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 ZINC000223146806 568539492 /nfs/dbraw/zinc/53/94/92/568539492.db2.gz ALKKJWXXUPFSJL-SFHVURJKSA-N 0 0 400.950 4.606 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223167708 568539968 /nfs/dbraw/zinc/53/99/68/568539968.db2.gz KTBWJVHZYYAPOR-HSZRJFAPSA-N 0 0 424.585 4.911 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000223176725 568540107 /nfs/dbraw/zinc/54/01/07/568540107.db2.gz URTPFAKVMRHOPS-JOCHJYFZSA-N 0 0 424.585 4.911 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223187599 568540524 /nfs/dbraw/zinc/54/05/24/568540524.db2.gz INUODQGHTHKOEU-QFIPXVFZSA-N 0 0 414.977 4.949 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223198055 568540863 /nfs/dbraw/zinc/54/08/63/568540863.db2.gz ORMLSDXHGZBPMJ-LJQANCHMSA-N 0 0 422.953 4.515 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000223225175 568541559 /nfs/dbraw/zinc/54/15/59/568541559.db2.gz RUWUFPJBQYAATG-OAQYLSRUSA-N 0 0 412.599 4.809 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1C ZINC000223267747 568543389 /nfs/dbraw/zinc/54/33/89/568543389.db2.gz XHPFFLGUEPRJIR-JOCHJYFZSA-N 0 0 424.585 4.713 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000223284622 568544093 /nfs/dbraw/zinc/54/40/93/568544093.db2.gz XNKSABCKFOUVMC-MRXNPFEDSA-N 0 0 421.368 4.870 40 0 HJABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)n2)c1 ZINC000223301041 568544494 /nfs/dbraw/zinc/54/44/94/568544494.db2.gz NMTQHSIXYBRXGZ-SFHVURJKSA-N 0 0 407.514 4.903 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223327840 568545372 /nfs/dbraw/zinc/54/53/72/568545372.db2.gz SFEDLHCDSZKIKV-HXUWFJFHSA-N 0 0 421.368 4.706 40 0 HJABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223350900 568546041 /nfs/dbraw/zinc/54/60/41/568546041.db2.gz GGGDOJVVMQEKPW-RUZDIDTESA-N 0 0 400.522 4.525 40 0 HJABRN CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223355119 568546189 /nfs/dbraw/zinc/54/61/89/568546189.db2.gz BILNOUHWHLJLEN-SANMLTNESA-N 0 0 414.549 4.916 40 0 HJABRN Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223356075 568546273 /nfs/dbraw/zinc/54/62/73/568546273.db2.gz DERUOKWZBMAKRP-YADHBBJMSA-N 0 0 418.497 4.777 40 0 HJABRN CCn1c2cc(C)c(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2oc1=O ZINC000223356118 568546305 /nfs/dbraw/zinc/54/63/05/568546305.db2.gz HFUMYQWSGCLPQD-UHFFFAOYSA-N 0 0 424.478 4.516 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223363336 568546554 /nfs/dbraw/zinc/54/65/54/568546554.db2.gz YCDCAPZULZGMPS-NRFANRHFSA-N 0 0 414.977 4.995 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223395965 568547396 /nfs/dbraw/zinc/54/73/96/568547396.db2.gz DCHCCXYJAFCJKM-OAQYLSRUSA-N 0 0 414.977 4.913 40 0 HJABRN COC(=O)c1ccc(N[C@H](C)c2ccccc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223410991 568547908 /nfs/dbraw/zinc/54/79/08/568547908.db2.gz DJWDAVQIEPEZCZ-QGZVFWFLSA-N 0 0 424.522 4.756 40 0 HJABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC(C)C)c1ccccc1 ZINC000223412474 568547986 /nfs/dbraw/zinc/54/79/86/568547986.db2.gz CYBQLJXHZHJGOE-QFIPXVFZSA-N 0 0 400.950 4.982 40 0 HJABRN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223417631 568548288 /nfs/dbraw/zinc/54/82/88/568548288.db2.gz RVUSRTZKKYHUDH-GOTSBHOMSA-N 0 0 420.582 4.701 40 0 HJABRN CCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223423997 568548491 /nfs/dbraw/zinc/54/84/91/568548491.db2.gz UXYMEXSECFMJNP-UHFFFAOYSA-N 0 0 410.923 4.528 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl ZINC000223447479 568549021 /nfs/dbraw/zinc/54/90/21/568549021.db2.gz AAOSEMZBBRLVJD-FQEVSTJZSA-N 0 0 418.940 4.744 40 0 HJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C(C)C ZINC000223456829 568549401 /nfs/dbraw/zinc/54/94/01/568549401.db2.gz QAWFDJCIHSGAQX-FGZHOGPDSA-N 0 0 405.571 4.649 40 0 HJABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 ZINC000223462525 568549652 /nfs/dbraw/zinc/54/96/52/568549652.db2.gz SLOGAOCSLAMMRD-HXUWFJFHSA-N 0 0 416.587 4.523 40 0 HJABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223477197 568549942 /nfs/dbraw/zinc/54/99/42/568549942.db2.gz HASRECXBKDPESQ-VWLOTQADSA-N 0 0 418.512 4.665 40 0 HJABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(C)c2C)c2ccccc2O1 ZINC000223508559 568550633 /nfs/dbraw/zinc/55/06/33/568550633.db2.gz DULWAYZIIGGKQE-GOSISDBHSA-N 0 0 403.544 4.673 40 0 HJABRN Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1C ZINC000223506470 568550701 /nfs/dbraw/zinc/55/07/01/568550701.db2.gz NASKVSWENMZJDZ-INIZCTEOSA-N 0 0 418.584 4.609 40 0 HJABRN CCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223537622 568551142 /nfs/dbraw/zinc/55/11/42/568551142.db2.gz WDILDOOLDUCJSD-UTKZUKDTSA-N 0 0 400.950 4.605 40 0 HJABRN CCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223537503 568551154 /nfs/dbraw/zinc/55/11/54/568551154.db2.gz WDILDOOLDUCJSD-UWJYYQICSA-N 0 0 400.950 4.605 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223549204 568551435 /nfs/dbraw/zinc/55/14/35/568551435.db2.gz MILFGLJCPAMCOJ-OAQYLSRUSA-N 0 0 424.585 4.565 40 0 HJABRN COc1cc(C)c(S(=O)(=O)NCCOc2cccc3ccccc32)cc1C(C)C ZINC000223575701 568552093 /nfs/dbraw/zinc/55/20/93/568552093.db2.gz UYDLVZYWECMMLS-UHFFFAOYSA-N 0 0 413.539 4.638 40 0 HJABRN Cc1cc(O[C@H](C)C(=O)NCC2(c3ccccc3)CCOCC2)cc(C)c1Cl ZINC000223585193 568552408 /nfs/dbraw/zinc/55/24/08/568552408.db2.gz JWMZHTZWUKLWEH-GOSISDBHSA-N 0 0 401.934 4.589 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000223592731 568552732 /nfs/dbraw/zinc/55/27/32/568552732.db2.gz XOEKUBYNSOVFBN-HSZRJFAPSA-N 0 0 410.558 4.569 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000223606291 568553123 /nfs/dbraw/zinc/55/31/23/568553123.db2.gz IYJXPPQQSNTONK-NRFANRHFSA-N 0 0 400.950 4.606 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223701923 568556592 /nfs/dbraw/zinc/55/65/92/568556592.db2.gz YMFUUSMUOTTXED-DEOSSOPVSA-N 0 0 408.586 4.878 40 0 HJABRN COc1ccc2cc(S(=O)(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)ccc2c1 ZINC000223708853 568556960 /nfs/dbraw/zinc/55/69/60/568556960.db2.gz RKYNWYWNMRXCQE-OAQYLSRUSA-N 0 0 411.523 4.738 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223719062 568557284 /nfs/dbraw/zinc/55/72/84/568557284.db2.gz FUFSOVYMKXFONA-SFHVURJKSA-N 0 0 414.977 4.949 40 0 HJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223722730 568557456 /nfs/dbraw/zinc/55/74/56/568557456.db2.gz CXSAPGWXAXCSOO-GOSISDBHSA-N 0 0 422.956 4.979 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223749336 568557973 /nfs/dbraw/zinc/55/79/73/568557973.db2.gz LBBKJATYNILBMS-FQEVSTJZSA-N 0 0 406.570 4.658 40 0 HJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 ZINC000223746705 568558025 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HJABRN Cc1cccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223793114 568559372 /nfs/dbraw/zinc/55/93/72/568559372.db2.gz PCFRRKKUWCRAJN-HXUWFJFHSA-N 0 0 424.610 4.704 40 0 HJABRN Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811409 568559591 /nfs/dbraw/zinc/55/95/91/568559591.db2.gz DRHFHAOUVUDODW-SFHVURJKSA-N 0 0 412.961 4.667 40 0 HJABRN Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807812 568559652 /nfs/dbraw/zinc/55/96/52/568559652.db2.gz NWCLQHIJMFEBFQ-HXUWFJFHSA-N 0 0 424.610 4.704 40 0 HJABRN COc1ccc(/C=C(C(\C)=C(C)\C(=C\c2ccc(OC)cc2)[N+](=O)[O-])/[N+](=O)[O-])cc1 ZINC000223814093 568559757 /nfs/dbraw/zinc/55/97/57/568559757.db2.gz KFWQGSRSRVOCBC-BZLNMSHASA-N 0 0 410.426 4.976 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223812995 568559766 /nfs/dbraw/zinc/55/97/66/568559766.db2.gz WZVQFIKBANVJEP-OAQYLSRUSA-N 0 0 420.597 4.966 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 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HJABRN C[C@@H](NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000007939899 559261618 /nfs/dbraw/zinc/26/16/18/559261618.db2.gz PGFWZMNWHFBOMA-CQSZACIVSA-N 0 0 410.297 4.573 40 0 HJABRN COC(=O)c1ccc(OCc2ccc(Br)cc2)c(Br)c1 ZINC000226328849 559273275 /nfs/dbraw/zinc/27/32/75/559273275.db2.gz VEHBADVDCOFSKX-UHFFFAOYSA-N 0 0 400.066 4.577 40 0 HJABRN Cc1nc2ccccn2c1-c1nnc2sc(COc3cc(C)ccc3C(C)C)nn21 ZINC000227143580 559274176 /nfs/dbraw/zinc/27/41/76/559274176.db2.gz LGGMHRWEPNGQIG-UHFFFAOYSA-N 0 0 418.526 4.820 40 0 HJABRN Cc1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1C ZINC000170569608 559278739 /nfs/dbraw/zinc/27/87/39/559278739.db2.gz XNWWHAJFGGKIKX-UHFFFAOYSA-N 0 0 407.251 4.510 40 0 HJABRN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1OC ZINC000000793552 559279692 /nfs/dbraw/zinc/27/96/92/559279692.db2.gz PXEPHSRPBDSLMZ-UHFFFAOYSA-N 0 0 416.934 4.666 40 0 HJABRN Cc1ccc(CN(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000000800160 559279949 /nfs/dbraw/zinc/27/99/49/559279949.db2.gz KKDWDGUHKUCWAT-GOSISDBHSA-N 0 0 424.488 4.748 40 0 HJABRN O=C(NCc1ccccc1F)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257340512 559283442 /nfs/dbraw/zinc/28/34/42/559283442.db2.gz ZGMCIFQMPDEYBD-UHFFFAOYSA-N 0 0 404.485 4.543 40 0 HJABRN CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)C2CCC2)CC1 ZINC000257288410 559285584 /nfs/dbraw/zinc/28/55/84/559285584.db2.gz PUBMPKYODKKQDM-UHFFFAOYSA-N 0 0 418.581 4.750 40 0 HJABRN O=C(N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1)C1(c2ccccc2)CCCC1 ZINC000257301662 559286134 /nfs/dbraw/zinc/28/61/34/559286134.db2.gz RZHYXJPOZBEGDU-QFIPXVFZSA-N 0 0 414.549 4.764 40 0 HJABRN O=C(N1CCOC[C@H](Cc2cccc3cnccc32)C1)C1(c2ccccc2)CCCC1 ZINC000257344629 559286355 /nfs/dbraw/zinc/28/63/55/559286355.db2.gz ZYBKCSVLJQOQOX-OAQYLSRUSA-N 0 0 414.549 4.764 40 0 HJABRN CC1=C[C@@H](CNC(=O)c2ccc(F)cc2)[C@H](C(C)C)C[C@H]1Cc1nc2cc[nH]cc-2n1 ZINC000072320941 560077124 /nfs/dbraw/zinc/07/71/24/560077124.db2.gz WVDMINBHILGTIO-ZJOUEHCJSA-N 0 0 420.532 4.924 40 0 biogenic,in-vitro HJABRN Cc1ccc(NC(=O)CSc2n[nH]c(-c3cccc(Br)c3)n2)cc1C ZINC000000873559 560536747 /nfs/dbraw/zinc/53/67/47/560536747.db2.gz VYXVHGMPHBGATO-UHFFFAOYSA-N 0 0 417.332 4.582 40 0 HJABRN COc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCC3)cc2c1 ZINC000000880124 560538954 /nfs/dbraw/zinc/53/89/54/560538954.db2.gz SEJKOWMDFRJNSJ-UHFFFAOYSA-N 0 0 407.539 4.678 40 0 HJABRN Cc1cc2ccccc2nc1SCC(=O)Nc1nc2c(s1)CC(C)(C)CC2=O ZINC000000902903 560544540 /nfs/dbraw/zinc/54/45/40/560544540.db2.gz YYRNVQTVTSEZFW-UHFFFAOYSA-N 0 0 411.552 4.886 40 0 HJABRN Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)n12 ZINC000000903004 560544726 /nfs/dbraw/zinc/54/47/26/560544726.db2.gz RZJMKXNMIANSRH-KRWDZBQOSA-N 0 0 416.550 4.878 40 0 HJABRN CCC(=O)Nc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c32)ccc1C ZINC000000917823 560554180 /nfs/dbraw/zinc/55/41/80/560554180.db2.gz WMRCOXJOFIJXRF-UHFFFAOYSA-N 0 0 414.556 4.696 40 0 HJABRN O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc(Cl)c1 ZINC000000849501 560554485 /nfs/dbraw/zinc/55/44/85/560554485.db2.gz 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421.566 4.987 40 0 HJABRN Cc1ccc(N(C2=NCCCS2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001327880 560573625 /nfs/dbraw/zinc/57/36/25/560573625.db2.gz KXMADEQHVZNVGH-UHFFFAOYSA-N 0 0 402.585 4.981 40 0 HJABRN O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)Nc1ccc2c(c1)CCC2 ZINC000001329725 560573907 /nfs/dbraw/zinc/57/39/07/560573907.db2.gz NMKDCWYNONYEMS-UHFFFAOYSA-N 0 0 400.507 4.844 40 0 HJABRN Cc1cc2nc(-c3ccc(SCC(=O)NCc4ccc(F)cc4)nc3)[nH]c2cc1C ZINC000001329720 560573917 /nfs/dbraw/zinc/57/39/17/560573917.db2.gz HESUNNGGXYMCIB-UHFFFAOYSA-N 0 0 420.513 4.789 40 0 HJABRN Cc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCCc3ccccc32)cc1 ZINC000001337695 560575080 /nfs/dbraw/zinc/57/50/80/560575080.db2.gz ULJARBUOMMGKEL-DEOSSOPVSA-N 0 0 413.500 4.711 40 0 HJABRN Cc1ccc(CN2c3cc(C(=O)Nc4ccccc4)ccc3OC(C)(C)C2=O)cc1 ZINC000001342399 560575965 /nfs/dbraw/zinc/57/59/65/560575965.db2.gz XOEFWMIAYMIJLH-UHFFFAOYSA-N 0 0 400.478 4.952 40 0 HJABRN COc1ccc(OC)c(NC(=O)c2sc3nc4c(C)ccc(C)c4cc3c2N)c1 ZINC000001342978 560576084 /nfs/dbraw/zinc/57/60/84/560576084.db2.gz FFTYHEYERHXYQQ-UHFFFAOYSA-N 0 0 407.495 4.918 40 0 HJABRN Cc1ccc([C@H](OC(=O)C2=Cc3ccccc3OC2)C(=O)NC2CCCCC2)cc1 ZINC000001345105 560576287 /nfs/dbraw/zinc/57/62/87/560576287.db2.gz DOZMJZAODMYEFH-QHCPKHFHSA-N 0 0 405.494 4.504 40 0 HJABRN COc1ccc(NC(=O)CSc2nc3ccccc3c3c2CCCC3)cc1OC ZINC000001346359 560576382 /nfs/dbraw/zinc/57/63/82/560576382.db2.gz LHFIEOQTCDAGFE-UHFFFAOYSA-N 0 0 408.523 4.862 40 0 HJABRN Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3ccc(F)cc3)c(=O)[nH]c12 ZINC000001346757 560576520 /nfs/dbraw/zinc/57/65/20/560576520.db2.gz CXTXWGJCGPAZFR-UHFFFAOYSA-N 0 0 406.482 4.880 40 0 HJABRN COc1ccc(NC(=S)N2CCC[C@H](c3nc4cc(C)c(C)cc4[nH]3)C2)c(OC)c1 ZINC000001350139 560576700 /nfs/dbraw/zinc/57/67/00/560576700.db2.gz ZYBLZOCGCSPPMJ-INIZCTEOSA-N 0 0 424.570 4.773 40 0 HJABRN Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)NCc3ccccc3)C3CCCC3)cc12 ZINC000001371610 560578037 /nfs/dbraw/zinc/57/80/37/560578037.db2.gz VSYJJMNRAUWYRN-UHFFFAOYSA-N 0 0 403.526 4.799 40 0 HJABRN O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000001359879 560578507 /nfs/dbraw/zinc/57/85/07/560578507.db2.gz PHQOGCPHMOVWOB-CQSZACIVSA-N 0 0 400.841 4.941 40 0 HJABRN Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1 ZINC000001361081 560578736 /nfs/dbraw/zinc/57/87/36/560578736.db2.gz UKRVOWRIWLYZRU-UHFFFAOYSA-N 0 0 414.521 4.726 40 0 HJABRN Cc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccco2)c1 ZINC000001365926 560580166 /nfs/dbraw/zinc/58/01/66/560580166.db2.gz VGDNCFRKMWCPGK-SFHVURJKSA-N 0 0 408.420 4.674 40 0 HJABRN C[C@H]1Cc2cc(-c3csc(NC(=O)Cc4cccs4)n3)ccc2N1C(=O)C1CC1 ZINC000001366382 560580325 /nfs/dbraw/zinc/58/03/25/560580325.db2.gz CIZBZKPUIUBCBA-ZDUSSCGKSA-N 0 0 423.563 4.740 40 0 HJABRN CCOc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)CC)cs1 ZINC000001366661 560580559 /nfs/dbraw/zinc/58/05/59/560580559.db2.gz DOWRFICEUKEWNA-UHFFFAOYSA-N 0 0 421.522 4.760 40 0 HJABRN CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccncc4)n3)ccc21 ZINC000001366791 560580569 /nfs/dbraw/zinc/58/05/69/560580569.db2.gz VRFFTAAEUWJUAE-UHFFFAOYSA-N 0 0 420.538 4.783 40 0 HJABRN Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)(C)C ZINC000001366751 560580573 /nfs/dbraw/zinc/58/05/73/560580573.db2.gz SAMUWKYLDJNOSP-UHFFFAOYSA-N 0 0 420.538 4.701 40 0 HJABRN Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 ZINC000001368489 560581005 /nfs/dbraw/zinc/58/10/05/560581005.db2.gz VFDFRKMPTIWGEI-UHFFFAOYSA-N 0 0 404.495 4.626 40 0 HJABRN Cc1cccc2cc(CN(C(=O)c3cccs3)C3CCCCC3)c3nnnn3c12 ZINC000001376741 560581588 /nfs/dbraw/zinc/58/15/88/560581588.db2.gz VGEMUNOETZWELT-UHFFFAOYSA-N 0 0 405.527 4.623 40 0 HJABRN Cc1cccc2cc(CN(CCc3ccccc3)C(=O)NC3CCCCC3)c(=O)[nH]c12 ZINC000001378219 560582017 /nfs/dbraw/zinc/58/20/17/560582017.db2.gz SLMIYMSOSCQIJH-UHFFFAOYSA-N 0 0 417.553 4.924 40 0 HJABRN CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 ZINC000004240549 560603275 /nfs/dbraw/zinc/60/32/75/560603275.db2.gz HMAJGZYOIGMFAC-HSZRJFAPSA-N 0 0 417.509 4.684 40 0 HJABRN CCc1cc2cc(C)c(C)cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000004849436 560610638 /nfs/dbraw/zinc/61/06/38/560610638.db2.gz WOKFALARPUSPLY-UHFFFAOYSA-N 0 0 408.523 4.551 40 0 HJABRN CCc1cc2c(C)cc(C)cc2nc1SCC(=O)NCc1ccc2c(c1)OCO2 ZINC000004849456 560610677 /nfs/dbraw/zinc/61/06/77/560610677.db2.gz QICVEWPOTPUHIW-UHFFFAOYSA-N 0 0 408.523 4.551 40 0 HJABRN CCN(CC)C(=O)CSc1nc2cc3c(cc2cc1Cc1ccccc1)OCO3 ZINC000004857750 560612042 /nfs/dbraw/zinc/61/20/42/560612042.db2.gz POJFGRJDZVOWPZ-UHFFFAOYSA-N 0 0 408.523 4.515 40 0 HJABRN CC(C)N(C(=O)CSc1nc2ccccc2n1CC(=O)c1ccccc1)C(C)C ZINC000004859298 560612952 /nfs/dbraw/zinc/61/29/52/560612952.db2.gz UABHWJLCUVCUHC-UHFFFAOYSA-N 0 0 409.555 4.657 40 0 HJABRN Cc1ccc2cc(CN(C(=O)c3cccs3)C3CCCCC3)c3nnnn3c2c1 ZINC000004879348 560614600 /nfs/dbraw/zinc/61/46/00/560614600.db2.gz OCEUECXSCXFCNF-UHFFFAOYSA-N 0 0 405.527 4.623 40 0 HJABRN COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccccc1F ZINC000004880828 560614623 /nfs/dbraw/zinc/61/46/23/560614623.db2.gz 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Cc1cc(-c2cnc(C3CCN(C(=O)C4[C@@H]5CCCC[C@H]45)CC3)nc2C(C)C)on1 ZINC000019121599 558843262 /nfs/dbraw/zinc/84/32/62/558843262.db2.gz NPVRJYFXDMUBDS-HTZLVSCSSA-N 0 0 408.546 4.706 40 0 HJABRN Cc1cc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)on1 ZINC000019121393 558843292 /nfs/dbraw/zinc/84/32/92/558843292.db2.gz LXEMLLPTEMPRPN-QGZVFWFLSA-N 0 0 402.857 4.543 40 0 HJABRN COc1ccc(C)cc1CN1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C)N2 ZINC000019133483 558845825 /nfs/dbraw/zinc/84/58/25/558845825.db2.gz RUKBHXIDJAUGSL-DKSSEZFCSA-N 0 0 408.468 4.845 40 0 HJABRN COc1ccccc1-c1noc(CCCC(=O)Nc2c(C)ccc3cccnc32)n1 ZINC000019234329 558853584 /nfs/dbraw/zinc/85/35/84/558853584.db2.gz VAAACDKATYLNQO-UHFFFAOYSA-N 0 0 402.454 4.563 40 0 HJABRN Cc1cccc(OCCCC(=O)N2CCC[C@@H]2c2nnc(-c3ccsc3)o2)c1C ZINC000019235708 558854873 /nfs/dbraw/zinc/85/48/73/558854873.db2.gz CBYWIBLAVXCEPK-GOSISDBHSA-N 0 0 411.527 4.938 40 0 HJABRN Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CC2CCCCC2)cc(N(C)C)n1 ZINC000019240849 558859343 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/nfs/dbraw/zinc/90/70/48/558907048.db2.gz LWTSTEALOSYDCI-HXUWFJFHSA-N 0 0 422.504 4.746 40 0 HJABRN CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCCC2)C1 ZINC000019528853 558910195 /nfs/dbraw/zinc/91/01/95/558910195.db2.gz INAVZMDELWADSQ-DEOSSOPVSA-N 0 0 410.583 4.503 40 0 HJABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCCC2)C1 ZINC000019528852 558910219 /nfs/dbraw/zinc/91/02/19/558910219.db2.gz INAVZMDELWADSQ-XMMPIXPASA-N 0 0 410.583 4.503 40 0 HJABRN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000019528846 558910266 /nfs/dbraw/zinc/91/02/66/558910266.db2.gz DYWVPERVCJSHOM-UQBPGWFLSA-N 0 0 422.594 4.669 40 0 HJABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)C1 ZINC000019529032 558910595 /nfs/dbraw/zinc/91/05/95/558910595.db2.gz QWLITWQMQYYPAJ-RUZDIDTESA-N 0 0 418.562 4.626 40 0 HJABRN CCOc1cc2c(cc1CN[C@H](Cc1cccs1)c1nc(C)cs1)OCO2 ZINC000019532515 558912559 /nfs/dbraw/zinc/91/25/59/558912559.db2.gz HMWIOOVADBAQQY-MRXNPFEDSA-N 0 0 402.541 4.714 40 0 HJABRN Nc1nc(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)n1 ZINC000071977750 558916975 /nfs/dbraw/zinc/91/69/75/558916975.db2.gz OARZQOWZGNPJHN-UHFFFAOYSA-N 0 0 405.093 4.918 40 0 HJABRN Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2Cc2ccccc2Cl)c1C ZINC000019558588 558920399 /nfs/dbraw/zinc/92/03/99/558920399.db2.gz BIDZRIWSCFEHPF-IBGZPJMESA-N 0 0 411.937 4.805 40 0 HJABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)c2cc(C(C)C)no2)C1 ZINC000019568783 558927920 /nfs/dbraw/zinc/92/79/20/558927920.db2.gz SIVPBDNRCHIOMZ-GFCCVEGCSA-N 0 0 422.407 4.681 40 0 HJABRN COc1ccc([C@H]2CCCN2C(=O)c2ccc(F)c(-n3nc(C)cc3C)c2)cc1OC ZINC000019574628 558932226 /nfs/dbraw/zinc/93/22/26/558932226.db2.gz BBXXMGSLFMNPAF-HXUWFJFHSA-N 0 0 423.488 4.623 40 0 HJABRN Cc1cc(NC(=O)C[C@@H](c2c[nH]c3ccccc32)C(C)C)n(Cc2ccncc2)n1 ZINC000019574576 558932276 /nfs/dbraw/zinc/93/22/76/558932276.db2.gz YHTRBEBBTKYQDA-HXUWFJFHSA-N 0 0 401.514 4.885 40 0 HJABRN Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)c1Cl ZINC000019577500 558933168 /nfs/dbraw/zinc/93/31/68/558933168.db2.gz QSIMQAHXTSTQSJ-WMLDXEAASA-N 0 0 407.917 4.561 40 0 HJABRN COc1ccccc1-c1noc(C)c1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000019579664 558935294 /nfs/dbraw/zinc/93/52/94/558935294.db2.gz YEOPJNJHMQNXDP-QFIPXVFZSA-N 0 0 422.481 4.557 40 0 HJABRN Cc1ccc(C(=O)N2CCC([C@H]3CC(=O)c4ccccc4O3)CC2)cc1-n1cccc1 ZINC000072336672 558937154 /nfs/dbraw/zinc/93/71/54/558937154.db2.gz AFOYKDKVYFHFMB-RUZDIDTESA-N 0 0 414.505 4.672 40 0 HJABRN Cc1noc(C)c1C(=O)N1CCC(c2[nH]c3ccccc3c2-c2ccncc2)CC1 ZINC000072342177 558940268 /nfs/dbraw/zinc/94/02/68/558940268.db2.gz RAHIQJKVTBDHNB-UHFFFAOYSA-N 0 0 400.482 4.855 40 0 HJABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CCCC2)C1 ZINC000019591044 558941196 /nfs/dbraw/zinc/94/11/96/558941196.db2.gz MYNCENWZJABTMS-XMMPIXPASA-N 0 0 410.583 4.503 40 0 HJABRN CNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)CC2CCCC2)CC1 ZINC000072345174 558941661 /nfs/dbraw/zinc/94/16/61/558941661.db2.gz ZIYOYRABDISGSE-UHFFFAOYSA-N 0 0 424.610 4.893 40 0 HJABRN Cc1sc2nc(C(C)C)n([C@H]3CCCN(C(=O)C4CCCC4)C3)c(=O)c2c1C ZINC000072347721 558944733 /nfs/dbraw/zinc/94/47/33/558944733.db2.gz CKYNRXVOGFKSLJ-KRWDZBQOSA-N 0 0 401.576 4.552 40 0 HJABRN COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 ZINC000072349022 558945702 /nfs/dbraw/zinc/94/57/02/558945702.db2.gz KBFABKJKDVRWGL-JOCHJYFZSA-N 0 0 400.522 4.630 40 0 HJABRN O=C(Cc1cccnc1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072349414 558946183 /nfs/dbraw/zinc/94/61/83/558946183.db2.gz KPTACVQUODYUTJ-UHFFFAOYSA-N 0 0 405.929 4.670 40 0 HJABRN COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072349588 558946580 /nfs/dbraw/zinc/94/65/80/558946580.db2.gz XTZUZMVPXJVXFI-IBGZPJMESA-N 0 0 404.485 4.845 40 0 HJABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1 ZINC000072353060 558949702 /nfs/dbraw/zinc/94/97/02/558949702.db2.gz UGJQWGTZUUXZLH-QHCPKHFHSA-N 0 0 416.525 4.834 40 0 HJABRN Cc1nc(CC(=O)N2CCC[C@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cs1 ZINC000072354119 558951434 /nfs/dbraw/zinc/95/14/34/558951434.db2.gz IGJQPRJLKCKETA-FQEVSTJZSA-N 0 0 423.557 4.834 40 0 HJABRN CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3cccc(Cl)c3)n2)c1 ZINC000072355839 558952684 /nfs/dbraw/zinc/95/26/84/558952684.db2.gz UPSKKCWBZQVSDZ-OAQYLSRUSA-N 0 0 406.917 4.840 40 0 HJABRN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 ZINC000072355869 558952786 /nfs/dbraw/zinc/95/27/86/558952786.db2.gz SPQSIXNDKHBPEY-HXUWFJFHSA-N 0 0 403.873 4.651 40 0 HJABRN COc1ccc(NC(=O)CN2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357659 558953434 /nfs/dbraw/zinc/95/34/34/558953434.db2.gz NHUWVTYEMDRRID-XMMPIXPASA-N 0 0 419.500 4.596 40 0 HJABRN Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 ZINC000072358054 558953685 /nfs/dbraw/zinc/95/36/85/558953685.db2.gz OHVMBFZMKKUBAN-HXUWFJFHSA-N 0 0 414.431 4.700 40 0 HJABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000019663509 558954260 /nfs/dbraw/zinc/95/42/60/558954260.db2.gz NWIQRNGTEQFWOF-VWLOTQADSA-N 0 0 424.504 4.632 40 0 HJABRN O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072359177 558955010 /nfs/dbraw/zinc/95/50/10/558955010.db2.gz HBDBUIYIZNMLGN-GOSISDBHSA-N 0 0 407.464 4.761 40 0 HJABRN O=C(c1cccnc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359503 558955141 /nfs/dbraw/zinc/95/51/41/558955141.db2.gz CUHBLPVVWIAQNT-QGZVFWFLSA-N 0 0 412.415 4.577 40 0 HJABRN CCn1ccnc1CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359822 558955354 /nfs/dbraw/zinc/95/53/54/558955354.db2.gz YQXZTADTPFTNIY-KRWDZBQOSA-N 0 0 415.463 4.758 40 0 HJABRN CCn1cc(-c2cc(C(=O)Nc3ccc4c(c3)ncn4C3CCCCC3)no2)cn1 ZINC000019665084 558955477 /nfs/dbraw/zinc/95/54/77/558955477.db2.gz MBZJCKDRPZGTMK-UHFFFAOYSA-N 0 0 404.474 4.665 40 0 HJABRN Nc1ccc(-c2ccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)nc2)cn1 ZINC000019688961 558958344 /nfs/dbraw/zinc/95/83/44/558958344.db2.gz YZMUPKBMBBEVHY-NRFANRHFSA-N 0 0 406.917 4.676 40 0 HJABRN COc1ccccc1CCC(=O)N1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375257 558963855 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CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 ZINC000409180544 560688364 /nfs/dbraw/zinc/68/83/64/560688364.db2.gz WUIZFCNFKRCWNV-UHFFFAOYSA-N 0 0 418.445 4.539 40 0 HJABRN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000409181032 560688367 /nfs/dbraw/zinc/68/83/67/560688367.db2.gz YZNWZUBVCMSYFK-UHFFFAOYSA-N 0 0 414.914 4.726 40 0 HJABRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCc1ccc(Cl)cc1Cl ZINC000409183443 560688802 /nfs/dbraw/zinc/68/88/02/560688802.db2.gz SBJKBXUKGOTXAG-UHFFFAOYSA-N 0 0 402.661 4.971 40 0 HJABRN CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000409190865 560689231 /nfs/dbraw/zinc/68/92/31/560689231.db2.gz XFRHJGKEJICVFM-AYOQOUSVSA-N 0 0 402.288 4.870 40 0 HJABRN Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NCC(C)C)cc1C ZINC000409209231 560692195 /nfs/dbraw/zinc/69/21/95/560692195.db2.gz IACUYADDCRDUCP-UHFFFAOYSA-N 0 0 422.598 4.534 40 0 HJABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCCCC2)cc1C ZINC000409215667 560696969 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COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000409329806 560710130 /nfs/dbraw/zinc/71/01/30/560710130.db2.gz GTGUIULJTFSPNJ-MOSHPQCFSA-N 0 0 418.474 4.523 40 0 HJABRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)c1C ZINC000409331762 560710436 /nfs/dbraw/zinc/71/04/36/560710436.db2.gz PQHFMGORMMFFIB-NDENLUEZSA-N 0 0 424.522 4.766 40 0 HJABRN Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O ZINC000409342557 560711703 /nfs/dbraw/zinc/71/17/03/560711703.db2.gz GPCMKOZMOOTQBO-LZYBPNLTSA-N 0 0 421.305 4.977 40 0 HJABRN COc1cccc2cc(-c3nnc(SCC(=O)Nc4c(C)cccc4C)n3C)oc21 ZINC000409339022 560712739 /nfs/dbraw/zinc/71/27/39/560712739.db2.gz DIPLUQLOTKGORZ-UHFFFAOYSA-N 0 0 422.510 4.585 40 0 HJABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3CC)o2)cc1 ZINC000409345578 560714706 /nfs/dbraw/zinc/71/47/06/560714706.db2.gz JKIBKYCZBKYGNO-UHFFFAOYSA-N 0 0 411.527 4.813 40 0 HJABRN Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)s1 ZINC000409356433 560715536 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QAWFDJCIHSGAQX-VXKWHMMOSA-N 0 0 405.571 4.649 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1cccnc1 ZINC000223455739 568549423 /nfs/dbraw/zinc/54/94/23/568549423.db2.gz AEECLDBGRANCET-YADHBBJMSA-N 0 0 403.555 4.566 40 0 HJABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223486754 568550261 /nfs/dbraw/zinc/55/02/61/568550261.db2.gz JCWHAPPCPXFFDO-QHCPKHFHSA-N 0 0 408.586 4.513 40 0 HJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C(C)C ZINC000223492635 568550337 /nfs/dbraw/zinc/55/03/37/568550337.db2.gz OYQUTADMCCWHBY-FGZHOGPDSA-N 0 0 405.571 4.649 40 0 HJABRN COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000026531475 568550412 /nfs/dbraw/zinc/55/04/12/568550412.db2.gz KVKNRGBCRBTTIT-YBEGLDIGSA-N 0 0 404.285 4.694 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccncc1 ZINC000223505536 568550611 /nfs/dbraw/zinc/55/06/11/568550611.db2.gz NOVDZJSIBMKIEO-PKTZIBPZSA-N 0 0 417.582 4.956 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 ZINC000223550503 568551493 /nfs/dbraw/zinc/55/14/93/568551493.db2.gz WSFNLGBNGSZFGN-KRWDZBQOSA-N 0 0 418.990 4.684 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000223562757 568551810 /nfs/dbraw/zinc/55/18/10/568551810.db2.gz GCPNNDJOWWGUOR-QFIPXVFZSA-N 0 0 412.599 4.644 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000223562695 568551831 /nfs/dbraw/zinc/55/18/31/568551831.db2.gz GCPNNDJOWWGUOR-JOCHJYFZSA-N 0 0 412.599 4.644 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C ZINC000223621446 568553607 /nfs/dbraw/zinc/55/36/07/568553607.db2.gz JFIOJZOPIMAQDU-HSZRJFAPSA-N 0 0 424.585 4.577 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223660421 568555239 /nfs/dbraw/zinc/55/52/39/568555239.db2.gz DYYRPWLJWCQDAN-QHCPKHFHSA-N 0 0 424.585 4.577 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C ZINC000223693541 568556373 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CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc2ccccc2c1 ZINC000007759269 557759514 /nfs/dbraw/zinc/75/95/14/557759514.db2.gz IDGUEAKKQCRAQA-UHFFFAOYSA-N 0 0 407.857 4.581 40 0 HJABRN Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1Cl ZINC000007881137 557766413 /nfs/dbraw/zinc/76/64/13/557766413.db2.gz QFKOICWQJPRXIF-UHFFFAOYSA-N 0 0 420.962 4.774 40 0 HJABRN Cc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1 ZINC000408738802 557800562 /nfs/dbraw/zinc/80/05/62/557800562.db2.gz VJQOYOKGVVGTNN-XMMPIXPASA-N 0 0 400.522 4.906 40 0 HJABRN Cc1cccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 ZINC000408736287 557802586 /nfs/dbraw/zinc/80/25/86/557802586.db2.gz AFGZWGGQYFQALR-XMMPIXPASA-N 0 0 400.522 4.906 40 0 HJABRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O)Nc1ccccc1 ZINC000009233968 557831146 /nfs/dbraw/zinc/83/11/46/557831146.db2.gz FVGJBTBCOSHWJO-CPNJWEJPSA-N 0 0 404.447 4.622 40 0 HJABRN CCOc1ccccc1N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000036211994 557841308 /nfs/dbraw/zinc/84/13/08/557841308.db2.gz MDNGKNPNURQZRM-UHFFFAOYSA-N 0 0 415.537 4.572 40 0 HJABRN Cc1cccc(/N=c2\scc(-c3ccc(Br)cc3)n2CCO)c1C ZINC000022855457 557842539 /nfs/dbraw/zinc/84/25/39/557842539.db2.gz XGPIIJWSIBPQNI-VZCXRCSSSA-N 0 0 403.345 4.821 40 0 HJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc43)ccc2C)c1C ZINC000010112425 557855410 /nfs/dbraw/zinc/85/54/10/557855410.db2.gz NFAHPGAUMZUPBH-UHFFFAOYSA-N 0 0 420.534 4.616 40 0 HJABRN COCc1nn2c(nnc3c2C[C@H](c2ccccc2)CC3=O)c1-c1cccc(Cl)c1 ZINC000010156924 557856236 /nfs/dbraw/zinc/85/62/36/557856236.db2.gz SJKDMRDRYDMCRL-INIZCTEOSA-N 0 0 418.884 4.504 40 0 HJABRN CC(C)(C)c1ccc(N(CC(=O)Nc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000010330490 557860667 /nfs/dbraw/zinc/86/06/67/557860667.db2.gz HUGDCIRFKHJWGS-UHFFFAOYSA-N 0 0 410.539 4.542 40 0 HJABRN Cc1nc([C@@H]2CCCCN2C(=O)C2CCC2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753591 558272686 /nfs/dbraw/zinc/27/26/86/558272686.db2.gz IAPKNWLIMKXRMM-IBGZPJMESA-N 0 0 412.921 4.544 40 0 HJABRN COc1ccccc1NC(=O)c1nnc2c(-c3cccc4ccccc43)cnn2c1C ZINC000019817185 558287565 /nfs/dbraw/zinc/28/75/65/558287565.db2.gz MVSRZRPBJOHWFG-UHFFFAOYSA-N 0 0 409.449 4.514 40 0 HJABRN CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)no1 ZINC000012088139 558322812 /nfs/dbraw/zinc/32/28/12/558322812.db2.gz HROUOTWZSBMFPD-INIZCTEOSA-N 0 0 409.534 4.676 40 0 HJABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H](c2nc3ccccn3c2NC(C)(C)C)C1 ZINC000012088144 558322889 /nfs/dbraw/zinc/32/28/89/558322889.db2.gz YMQSYAKLYFFLLS-QGZVFWFLSA-N 0 0 423.561 4.984 40 0 HJABRN Cc1c(C)n(C)c2ccc(C(=O)N3CCC([C@@H]4CC(=O)c5ccccc5O4)CC3)cc12 ZINC000012088742 558323334 /nfs/dbraw/zinc/32/33/34/558323334.db2.gz MCKSENHGHDSPNN-VWLOTQADSA-N 0 0 416.521 4.681 40 0 HJABRN CCc1cccc(C)c1NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O ZINC000020063261 558329911 /nfs/dbraw/zinc/32/99/11/558329911.db2.gz AXAUHEKLCLRMFM-UHFFFAOYSA-N 0 0 420.534 4.680 40 0 HJABRN CCCCc1ccc(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)cc1 ZINC000020063211 558329914 /nfs/dbraw/zinc/32/99/14/558329914.db2.gz LRNMXWNYVNAFNN-UHFFFAOYSA-N 0 0 420.534 4.844 40 0 HJABRN CSc1cccc(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)c1 ZINC000020063229 558329987 /nfs/dbraw/zinc/32/99/87/558329987.db2.gz OVBGXYIZDVVODG-UHFFFAOYSA-N 0 0 424.547 4.531 40 0 HJABRN CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020105785 558333228 /nfs/dbraw/zinc/33/32/28/558333228.db2.gz WNBWXADTXFDKDH-UHFFFAOYSA-N 0 0 414.914 4.956 40 0 HJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000020106480 558333437 /nfs/dbraw/zinc/33/34/37/558333437.db2.gz KWIGNAVQCDPFMO-HNNXBMFYSA-N 0 0 409.869 4.986 40 0 HJABRN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC000012144391 558335841 /nfs/dbraw/zinc/33/58/41/558335841.db2.gz WOXDXLZNUPTYRX-QFIPXVFZSA-N 0 0 409.493 4.530 40 0 HJABRN COc1ccc(S[C@H](C)C(=O)NCCSCc2cccc(C)c2)cc1OC ZINC000020112254 558336237 /nfs/dbraw/zinc/33/62/37/558336237.db2.gz RWQVCSNLLUBYHJ-MRXNPFEDSA-N 0 0 405.585 4.542 40 0 HJABRN Cc1cc(NC(=O)COc2ccc(Br)cc2)ccc1-c1ccc(CO)o1 ZINC000020144204 558339469 /nfs/dbraw/zinc/33/94/69/558339469.db2.gz IAPKGNLQNKQYOS-UHFFFAOYSA-N 0 0 416.271 4.527 40 0 HJABRN CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1OC ZINC000020151152 558340823 /nfs/dbraw/zinc/34/08/23/558340823.db2.gz BYZNZPKYPVWMPZ-WUXMJOGZSA-N 0 0 407.466 4.807 40 0 HJABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1C ZINC000020196912 558345454 /nfs/dbraw/zinc/34/54/54/558345454.db2.gz FBARVUOJBGUEJF-UHFFFAOYSA-N 0 0 401.919 4.970 40 0 HJABRN CC(C)n1ncc2c1nc(C(F)(F)F)cc2C1CCN(C(=O)c2ccco2)CC1 ZINC000012224548 558356844 /nfs/dbraw/zinc/35/68/44/558356844.db2.gz LYFWGOXEYLJEKB-UHFFFAOYSA-N 0 0 406.408 4.644 40 0 HJABRN Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@@H](C)n2nc(C(F)F)cc2C)n1 ZINC000012227902 558357296 /nfs/dbraw/zinc/35/72/96/558357296.db2.gz JVHYAUKRSSNQMA-IUODEOHRSA-N 0 0 410.515 4.617 40 0 HJABRN Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020449435 558364555 /nfs/dbraw/zinc/36/45/55/558364555.db2.gz BGRBMDOFMBJYCP-MRXNPFEDSA-N 0 0 424.497 4.526 40 0 HJABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000020456028 558369459 /nfs/dbraw/zinc/36/94/59/558369459.db2.gz AJUREXNCYBRCTQ-UHFFFAOYSA-N 0 0 422.717 4.765 40 0 HJABRN COc1ccc(/C=C/C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c(OC)c1OC ZINC000020493597 558379198 /nfs/dbraw/zinc/37/91/98/558379198.db2.gz YBNIVRRXBAXODS-VUNQTZOZSA-N 0 0 417.505 4.940 40 0 HJABRN CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(OC)cc2)c(Br)c1 ZINC000020495157 558380189 /nfs/dbraw/zinc/38/01/89/558380189.db2.gz OHQIJKLPNRYHEI-GOSISDBHSA-N 0 0 406.320 4.666 40 0 HJABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCN1CCc2ccccc21 ZINC000020495048 558380263 /nfs/dbraw/zinc/38/02/63/558380263.db2.gz AKWOQCPRDVYEAR-UHFFFAOYSA-N 0 0 409.382 4.796 40 0 HJABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)cc4)nc3c2)c1 ZINC000020610065 558390216 /nfs/dbraw/zinc/39/02/16/558390216.db2.gz RYKWNRYLENWFRJ-MRXNPFEDSA-N 0 0 416.481 4.859 40 0 HJABRN CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 ZINC000020610208 558390530 /nfs/dbraw/zinc/39/05/30/558390530.db2.gz ASVLCZCWALLBLF-UHFFFAOYSA-N 0 0 406.873 4.654 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 ZINC000020610594 558390775 /nfs/dbraw/zinc/39/07/75/558390775.db2.gz CEJDBNBHWWNXQG-UHFFFAOYSA-N 0 0 406.511 4.653 40 0 HJABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 ZINC000020611264 558391328 /nfs/dbraw/zinc/39/13/28/558391328.db2.gz PROOMWWYBDFGHQ-UHFFFAOYSA-N 0 0 416.481 4.777 40 0 HJABRN Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(C)cc2)C4)cc1 ZINC000020632469 558394955 /nfs/dbraw/zinc/39/49/55/558394955.db2.gz UOQJWHVAGPODLU-IBGZPJMESA-N 0 0 414.534 4.946 40 0 HJABRN CC(C)c1ncc2c(n1)C1(CCN(Cc3cccc(Cl)c3Cl)CC1)OCC2 ZINC000012407130 558398297 /nfs/dbraw/zinc/39/82/97/558398297.db2.gz VRBMJGKWUDYOON-UHFFFAOYSA-N 0 0 406.357 4.971 40 0 HJABRN Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)c1 ZINC000020796054 558414117 /nfs/dbraw/zinc/41/41/17/558414117.db2.gz ZXRCNZMRXAWFNL-IBGZPJMESA-N 0 0 414.534 4.946 40 0 HJABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1ccc(O)cc1 ZINC000021005545 558428590 /nfs/dbraw/zinc/42/85/90/558428590.db2.gz ZGIDTHPBXXUVMJ-QHCPKHFHSA-N 0 0 411.461 4.731 40 0 HJABRN CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccc(F)cc2)cc1OCC ZINC000022072002 558461551 /nfs/dbraw/zinc/46/15/51/558461551.db2.gz DBYGORBNFYAYJH-UHFFFAOYSA-N 0 0 423.488 4.734 40 0 HJABRN O=C(c1cn2c3c(cccc3c1=O)CCC2)N(Cc1ccccc1)Cc1ccccc1 ZINC000022235380 558470273 /nfs/dbraw/zinc/47/02/73/558470273.db2.gz KLKJQOKLXJVQLX-UHFFFAOYSA-N 0 0 408.501 4.790 40 0 HJABRN CCn1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237028 558471030 /nfs/dbraw/zinc/47/10/30/558471030.db2.gz PKFAMGMBSOMPQJ-CYBMUJFWSA-N 0 0 418.415 4.540 40 0 HJABRN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022256971 558474519 /nfs/dbraw/zinc/47/45/19/558474519.db2.gz BDQKSTGMWFYRQW-UHFFFAOYSA-N 0 0 419.934 4.724 40 0 HJABRN CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 ZINC000022530007 558496762 /nfs/dbraw/zinc/49/67/62/558496762.db2.gz UPOFCPBIGKRWGD-URXFXBBRSA-N 0 0 420.534 4.935 40 0 HJABRN COc1ccc(C)cc1NC(=O)c1nnc2c(-c3ccc(Cl)cc3)c(C)nn2c1C ZINC000013635618 558554044 /nfs/dbraw/zinc/55/40/44/558554044.db2.gz LFJUIRUYOGWSNO-UHFFFAOYSA-N 0 0 421.888 4.631 40 0 HJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)c1 ZINC000013646634 558556756 /nfs/dbraw/zinc/55/67/56/558556756.db2.gz VEFQITROGJEYII-GOSISDBHSA-N 0 0 420.534 4.696 40 0 HJABRN CCOc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000013671202 558562305 /nfs/dbraw/zinc/56/23/05/558562305.db2.gz VDGCFTZGSQKSHH-QHCPKHFHSA-N 0 0 422.506 4.705 40 0 HJABRN Cc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 ZINC000013675090 558563985 /nfs/dbraw/zinc/56/39/85/558563985.db2.gz PCGVLLZZBDIOIA-UHFFFAOYSA-N 0 0 422.550 4.651 40 0 HJABRN CSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000013679282 558565734 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ZINC000222610595 568520478 /nfs/dbraw/zinc/52/04/78/568520478.db2.gz UVDBGGYIZHFPGE-UHFFFAOYSA-N 0 0 422.662 4.563 40 0 HJABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4nccs4)c3C)N21 ZINC000222675055 568523266 /nfs/dbraw/zinc/52/32/66/568523266.db2.gz FALINYJHFWFHQM-AYOQOUSVSA-N 0 0 409.584 4.925 40 0 HJABRN Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222677991 568523323 /nfs/dbraw/zinc/52/33/23/568523323.db2.gz MQNDUTVGRHBJOH-IBGZPJMESA-N 0 0 412.599 4.809 40 0 HJABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccccc3OC)N21 ZINC000222683685 568523599 /nfs/dbraw/zinc/52/35/99/568523599.db2.gz IJIZHLNZZIEXKY-URZJWIJPSA-N 0 0 404.539 4.860 40 0 HJABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(N(C)C)cc3)N21 ZINC000222705638 568524253 /nfs/dbraw/zinc/52/42/53/568524253.db2.gz CKSCOSJHZYSXLO-MQNAVGNWSA-N 0 0 417.582 4.918 40 0 HJABRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cn3)N21 ZINC000222710295 568524356 /nfs/dbraw/zinc/52/43/56/568524356.db2.gz CPDXFKXKNFYYKO-UIAACRFSSA-N 0 0 409.946 4.900 40 0 HJABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222710748 568524414 /nfs/dbraw/zinc/52/44/14/568524414.db2.gz UEZJIUJBUPQNSX-JOCHJYFZSA-N 0 0 414.977 4.852 40 0 HJABRN CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl ZINC000222752894 568525569 /nfs/dbraw/zinc/52/55/69/568525569.db2.gz QWSJYVTWQBJIIW-OAHLLOKOSA-N 0 0 407.341 4.827 40 0 HJABRN CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000222753840 568525587 /nfs/dbraw/zinc/52/55/87/568525587.db2.gz OGTRMPCVCMPRBJ-HXUWFJFHSA-N 0 0 421.368 4.868 40 0 HJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 ZINC000222785087 568526544 /nfs/dbraw/zinc/52/65/44/568526544.db2.gz HIMHIFSAZFUSOD-MRXNPFEDSA-N 0 0 418.990 4.764 40 0 HJABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000222795929 568526778 /nfs/dbraw/zinc/52/67/78/568526778.db2.gz DNGMLLQNJQLVPL-RBUKOAKNSA-N 0 0 416.472 4.884 40 0 HJABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000222829725 568527770 /nfs/dbraw/zinc/52/77/70/568527770.db2.gz GEDPHHUWQGASEO-HNNXBMFYSA-N 0 0 407.341 4.827 40 0 HJABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1Cl ZINC000222843500 568528069 /nfs/dbraw/zinc/52/80/69/568528069.db2.gz QJNQHKGTMLBOCR-CQSZACIVSA-N 0 0 401.890 4.802 40 0 HJABRN CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222840701 568528079 /nfs/dbraw/zinc/52/80/79/568528079.db2.gz AQCMQESWKBWNFP-SFHVURJKSA-N 0 0 400.950 4.606 40 0 HJABRN C[C@@H](C(=O)NCc1ccco1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222843138 568528081 /nfs/dbraw/zinc/52/80/81/568528081.db2.gz QUVHQLIOGKGOLG-SFHVURJKSA-N 0 0 424.928 4.599 40 0 HJABRN O=C(NCc1cccc2ccccc21)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000222854815 568528503 /nfs/dbraw/zinc/52/85/03/568528503.db2.gz NBWNOJBTBKNZRY-UHFFFAOYSA-N 0 0 416.502 4.571 40 0 HJABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000222856349 568528581 /nfs/dbraw/zinc/52/85/81/568528581.db2.gz CZIIHVDBNOQPET-IFXJQAMLSA-N 0 0 403.906 4.843 40 0 HJABRN COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 ZINC000222857383 568528605 /nfs/dbraw/zinc/52/86/05/568528605.db2.gz KRUWPAASGAITQU-RTWAWAEBSA-N 0 0 421.522 4.509 40 0 HJABRN CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000222882160 568529426 /nfs/dbraw/zinc/52/94/26/568529426.db2.gz JCOOJETZURYCGO-QFIPXVFZSA-N 0 0 406.482 4.568 40 0 HJABRN CCc1ccc(O[C@H](CC)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000222889927 568529748 /nfs/dbraw/zinc/52/97/48/568529748.db2.gz OCXHQOFMICVSBA-OAQYLSRUSA-N 0 0 420.475 4.774 40 0 HJABRN COc1ccc(Cl)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000222918556 568530775 /nfs/dbraw/zinc/53/07/75/568530775.db2.gz SLDPBQOZYDMNJL-OAQYLSRUSA-N 0 0 401.915 4.725 40 0 HJABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000222940620 568531878 /nfs/dbraw/zinc/53/18/78/568531878.db2.gz ONYAAUHPMLAEBE-FQEVSTJZSA-N 0 0 423.513 4.517 40 0 HJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2nccs2)c1C ZINC000222953291 568532110 /nfs/dbraw/zinc/53/21/10/568532110.db2.gz ACFUEOUUYFHHJZ-RBUKOAKNSA-N 0 0 411.600 4.718 40 0 HJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2cccnc2)c1C ZINC000222952721 568532140 /nfs/dbraw/zinc/53/21/40/568532140.db2.gz FJTCCVVLMSPUBX-PKTZIBPZSA-N 0 0 419.598 4.716 40 0 HJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccnc2)c1C ZINC000222954562 568532269 /nfs/dbraw/zinc/53/22/69/568532269.db2.gz HHNUGKXEVQPUMA-YADHBBJMSA-N 0 0 405.571 4.657 40 0 HJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(N(C)C)cc1 ZINC000222975118 568532798 /nfs/dbraw/zinc/53/27/98/568532798.db2.gz PBCWRHUYGRIPPB-XZOQPEGZSA-N 0 0 419.598 4.711 40 0 HJABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000222974946 568532819 /nfs/dbraw/zinc/53/28/19/568532819.db2.gz BLUIHSFLUUHWQM-SFHVURJKSA-N 0 0 413.905 4.823 40 0 HJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222979656 568532992 /nfs/dbraw/zinc/53/29/92/568532992.db2.gz ADIWTHIVUPDXAX-VQTJNVASSA-N 0 0 411.962 4.693 40 0 HJABRN COc1ccc(C(C)C)cc1S(=O)(=O)N1c2ccc(Br)cc2C[C@@H]1C ZINC000223011940 568534275 /nfs/dbraw/zinc/53/42/75/568534275.db2.gz FBKNOGHDUUNZOL-ZDUSSCGKSA-N 0 0 424.360 4.721 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000223016156 568534367 /nfs/dbraw/zinc/53/43/67/568534367.db2.gz XVWWAPSDBRJEQN-HXUWFJFHSA-N 0 0 402.922 4.830 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223016147 568534370 /nfs/dbraw/zinc/53/43/70/568534370.db2.gz OLYBKVGUAFKNQD-FQEVSTJZSA-N 0 0 418.990 4.684 40 0 HJABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223026355 568534726 /nfs/dbraw/zinc/53/47/26/568534726.db2.gz IPBCJRVWJUHGOK-WOJBJXKFSA-N 0 0 413.930 4.614 40 0 HJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 ZINC000223032378 568534880 /nfs/dbraw/zinc/53/48/80/568534880.db2.gz DHEQWMBJBPQEMI-ZWKOTPCHSA-N 0 0 400.950 4.605 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000223030614 568534904 /nfs/dbraw/zinc/53/49/04/568534904.db2.gz RQCYCPHSDAEQRK-LJQANCHMSA-N 0 0 405.922 4.572 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000223034931 568535013 /nfs/dbraw/zinc/53/50/13/568535013.db2.gz YIDBKVBCRNQNFW-LJQANCHMSA-N 0 0 413.905 4.823 40 0 HJABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000223035128 568535015 /nfs/dbraw/zinc/53/50/15/568535015.db2.gz PZTDBBJBLKSHQY-IBGZPJMESA-N 0 0 413.905 4.823 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000223035635 568535029 /nfs/dbraw/zinc/53/50/29/568535029.db2.gz FQKWGKRFGXOZQM-OAHLLOKOSA-N 0 0 405.907 4.576 40 0 HJABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223058623 568536118 /nfs/dbraw/zinc/53/61/18/568536118.db2.gz WOENWEOQKXQAJO-VWLOTQADSA-N 0 0 414.549 4.599 40 0 HJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C ZINC000223071184 568536542 /nfs/dbraw/zinc/53/65/42/568536542.db2.gz YJZUFTIDOIXFQW-MOPGFXCFSA-N 0 0 414.977 4.831 40 0 HJABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223083983 568536931 /nfs/dbraw/zinc/53/69/31/568536931.db2.gz VCBNKAXLNUWANW-RTBURBONSA-N 0 0 414.977 4.831 40 0 HJABRN C[C@H]1Cc2cccc3c2n1cc(C(=O)N(Cc1ccccc1)Cc1ccccc1)c3=O ZINC000223096100 568537439 /nfs/dbraw/zinc/53/74/39/568537439.db2.gz FISYAFAQFMHKMD-IBGZPJMESA-N 0 0 408.501 4.961 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 ZINC000223109169 568537851 /nfs/dbraw/zinc/53/78/51/568537851.db2.gz FACSEERZDKLUIJ-HXUWFJFHSA-N 0 0 418.990 4.684 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl ZINC000223141863 568539246 /nfs/dbraw/zinc/53/92/46/568539246.db2.gz AOOHHQCQXNOBEL-SFHVURJKSA-N 0 0 400.950 4.525 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C ZINC000223141052 568539287 /nfs/dbraw/zinc/53/92/87/568539287.db2.gz 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CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cccc(C)c2)sc2c1CCCC2 ZINC000014022523 558614280 /nfs/dbraw/zinc/61/42/80/558614280.db2.gz VBKPQZLMBQQBGQ-KRWDZBQOSA-N 0 0 401.528 4.908 40 0 HJABRN CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c(C(C)(C)C)c2)cc1 ZINC000141523318 558650769 /nfs/dbraw/zinc/65/07/69/558650769.db2.gz VTTJFXHIXRPGKX-OAQYLSRUSA-N 0 0 417.571 4.917 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1Br ZINC000038752031 558664867 /nfs/dbraw/zinc/66/48/67/558664867.db2.gz RNQULPKGZSFPRN-KRWDZBQOSA-N 0 0 412.349 4.523 40 0 HJABRN CSc1nnc2c(n1)O[C@H](c1sccc1C)Nc1ccc(Br)cc1-2 ZINC000015015684 558701615 /nfs/dbraw/zinc/70/16/15/558701615.db2.gz BLRIKDNITVWNCK-OAHLLOKOSA-N 0 0 421.345 4.896 40 0 HJABRN CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C)c1ccccc1 ZINC000030755737 558737104 /nfs/dbraw/zinc/73/71/04/558737104.db2.gz INGOGYSNFAJAJT-OAQYLSRUSA-N 0 0 408.523 4.677 40 0 HJABRN COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1OC ZINC000015579127 558744597 /nfs/dbraw/zinc/74/45/97/558744597.db2.gz RBVIRBSTAWAQQP-UHFFFAOYSA-N 0 0 422.268 4.632 40 0 HJABRN COc1ccc(CN(C)C(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000030946138 558746478 /nfs/dbraw/zinc/74/64/78/558746478.db2.gz LPXUERPNYRAPAX-UHFFFAOYSA-N 0 0 421.368 4.873 40 0 HJABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C)c2)cc1 ZINC000015992713 558765834 /nfs/dbraw/zinc/76/58/34/558765834.db2.gz YYXDEOMPINLPKH-UHFFFAOYSA-N 0 0 408.523 4.689 40 0 HJABRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(Br)c1 ZINC000016028098 558769116 /nfs/dbraw/zinc/76/91/16/558769116.db2.gz OAROTMMKXUHOHH-UHFFFAOYSA-N 0 0 424.707 4.883 40 0 HJABRN O=C(NCCc1cn(C(=O)Nc2cccc(Cl)c2)cn1)Nc1cccc(Cl)c1 ZINC000016398983 558789742 /nfs/dbraw/zinc/78/97/42/558789742.db2.gz NNWUGOAZMBJYDY-UHFFFAOYSA-N 0 0 418.284 4.634 40 0 HJABRN CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C)C3 ZINC000016575181 558795884 /nfs/dbraw/zinc/79/58/84/558795884.db2.gz BFLFOCZBTYJSHI-UHFFFAOYSA-N 0 0 413.612 4.632 40 0 HJABRN O=C(c1ccccc1)N1CCC(NC(=S)Nc2ccc(Cl)cc2Cl)CC1 ZINC000016705102 558801513 /nfs/dbraw/zinc/80/15/13/558801513.db2.gz MNYRBYFZCYLERT-UHFFFAOYSA-N 0 0 408.354 4.585 40 0 HJABRN Cc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1 ZINC000016789481 558807081 /nfs/dbraw/zinc/80/70/81/558807081.db2.gz DCEXWPQNSCTEPM-UHFFFAOYSA-N 0 0 400.507 4.921 40 0 HJABRN O=C(NC/C(Br)=C\Br)Nc1c(Cl)cccc1Cl ZINC000017002930 558811546 /nfs/dbraw/zinc/81/15/46/558811546.db2.gz XLWKFIOZDRRFQI-GQCTYLIASA-N 0 0 402.901 4.746 40 0 HJABRN Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000038752997 558813742 /nfs/dbraw/zinc/81/37/42/558813742.db2.gz FPYPLFCLHWKUGP-GOSISDBHSA-N 0 0 422.369 4.887 40 0 HJABRN Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1NS(=O)(=O)c1ccccc1 ZINC000038756000 558814677 /nfs/dbraw/zinc/81/46/77/558814677.db2.gz MONMIBMEKSSGHX-JOCHJYFZSA-N 0 0 420.534 4.603 40 0 HJABRN COCc1nn2c(ncc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1cccc(Cl)c1 ZINC000038829813 558816396 /nfs/dbraw/zinc/81/63/96/558816396.db2.gz 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ZINC000019075446 558838556 /nfs/dbraw/zinc/83/85/56/558838556.db2.gz CIGCMTCTCODFAW-LJQANCHMSA-N 0 0 403.429 4.990 40 0 HJABRN CC(C)(C)C(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019081045 558839277 /nfs/dbraw/zinc/83/92/77/558839277.db2.gz LGUSEOGDZIHPBJ-GOSISDBHSA-N 0 0 401.514 4.644 40 0 HJABRN Cc1cc(-c2cnc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2C(C)C)on1 ZINC000019121638 558843226 /nfs/dbraw/zinc/84/32/26/558843226.db2.gz GIGJMWQHPMUNDQ-UHFFFAOYSA-N 0 0 422.504 4.651 40 0 HJABRN Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)CC2CCCCC2)on1 ZINC000019121786 558843417 /nfs/dbraw/zinc/84/34/17/558843417.db2.gz PNNOOWOOGAEDHK-LJQANCHMSA-N 0 0 411.550 4.530 40 0 HJABRN COCCn1c(C)cc2cc(NC(=O)c3sc(-c4ccccn4)nc3C)ccc21 ZINC000019126300 558844706 /nfs/dbraw/zinc/84/47/06/558844706.db2.gz VZOATNDQJCWMJM-UHFFFAOYSA-N 0 0 406.511 4.675 40 0 HJABRN Cc1ccc(-c2nnc(C3CCN(Cc4cc5c(cc4Cl)OCO5)CC3)o2)s1 ZINC000019217830 558850792 /nfs/dbraw/zinc/85/07/92/558850792.db2.gz SMGKAPYKSZPGJL-UHFFFAOYSA-N 0 0 417.918 4.868 40 0 HJABRN Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCC2CCCC2)cc(N(C)C)n1 ZINC000019240850 558859330 /nfs/dbraw/zinc/85/93/30/558859330.db2.gz MEBAWJDKWCXDBJ-JOCHJYFZSA-N 0 0 419.573 4.703 40 0 HJABRN O=C(c1c(F)cccc1F)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 ZINC000019292639 558864475 /nfs/dbraw/zinc/86/44/75/558864475.db2.gz ZJRVMGYFBAXCIQ-UHFFFAOYSA-N 0 0 420.463 4.714 40 0 HJABRN O=C(c1ccc(F)cc1F)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 ZINC000019293053 558864669 /nfs/dbraw/zinc/86/46/69/558864669.db2.gz YURJHBSPYCZCMK-UHFFFAOYSA-N 0 0 420.463 4.714 40 0 HJABRN CC(C)Sc1nnc(CCCCCN2C(=O)c3cccc4cccc(c43)C2=O)o1 ZINC000054363673 558868021 /nfs/dbraw/zinc/86/80/21/558868021.db2.gz BAPILBKISJCESF-UHFFFAOYSA-N 0 0 409.511 4.732 40 0 HJABRN NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cccc(F)c2)C1 ZINC000019348314 558874210 /nfs/dbraw/zinc/87/42/10/558874210.db2.gz YMCKLSKTFFSPBH-XMMPIXPASA-N 0 0 422.525 4.505 40 0 HJABRN O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000019400391 558882959 /nfs/dbraw/zinc/88/29/59/558882959.db2.gz PJHFWGMEHOOMOW-HYBUGGRVSA-N 0 0 423.532 4.511 40 0 HJABRN O=C(c1ccncc1)N1CCC(c2nc(-c3ccsc3)cc(C(F)(F)F)n2)CC1 ZINC000019404814 558884710 /nfs/dbraw/zinc/88/47/10/558884710.db2.gz DEFZXMRIVQMFCC-UHFFFAOYSA-N 0 0 418.444 4.639 40 0 HJABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc2N1 ZINC000019520659 558901727 /nfs/dbraw/zinc/90/17/27/558901727.db2.gz UAYFJBZHWHTQMS-JFIYKMOQSA-N 0 0 412.500 4.867 40 0 HJABRN CCc1nc2ccccc2n1C[C@@H](C)C(=O)N[C@@H](c1cccs1)c1ccncc1 ZINC000019523275 558904393 /nfs/dbraw/zinc/90/43/93/558904393.db2.gz QSQYNNAPJALDIQ-OPAMFIHVSA-N 0 0 404.539 4.597 40 0 HJABRN CCc1ncc(CN2CCC[C@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)cn1 ZINC000019523410 558904762 /nfs/dbraw/zinc/90/47/62/558904762.db2.gz XEYAAYWNLGRHJH-KRWDZBQOSA-N 0 0 418.467 4.561 40 0 HJABRN CCn1ncc(-c2cc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)no2)c1C ZINC000019524041 558905310 /nfs/dbraw/zinc/90/53/10/558905310.db2.gz BBKCKFISOIUHAV-QFIPXVFZSA-N 0 0 418.522 4.716 40 0 HJABRN CCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nc(C)cs1)OCO2 ZINC000019532539 558912616 /nfs/dbraw/zinc/91/26/16/558912616.db2.gz NBGRYWZBGKONFC-MRXNPFEDSA-N 0 0 402.541 4.714 40 0 HJABRN COc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nc(C)c(C)s1)OCO2 ZINC000019559861 558921131 /nfs/dbraw/zinc/92/11/31/558921131.db2.gz QHIPJNQBTOLLHI-MRXNPFEDSA-N 0 0 402.541 4.632 40 0 HJABRN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1sc(Cc2ccccc2)nc1C)CC3 ZINC000019560773 558921620 /nfs/dbraw/zinc/92/16/20/558921620.db2.gz SYQYRULMUFYZQH-UHFFFAOYSA-N 0 0 417.534 4.731 40 0 HJABRN Cc1noc2nc(C3CCN(C(=O)c4ccccc4F)CC3)cc(C(F)(F)F)c12 ZINC000019564890 558925071 /nfs/dbraw/zinc/92/50/71/558925071.db2.gz STZZTVSUXGBLLY-UHFFFAOYSA-N 0 0 407.367 4.709 40 0 HJABRN Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000019572313 558930496 /nfs/dbraw/zinc/93/04/96/558930496.db2.gz GCIJSWVAXSWEKW-UHFFFAOYSA-N 0 0 422.337 4.609 40 0 HJABRN Cc1nn([C@H](C)CC(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)c1Cl ZINC000019577502 558933429 /nfs/dbraw/zinc/93/34/29/558933429.db2.gz QSIMQAHXTSTQSJ-RHSMWYFYSA-N 0 0 407.917 4.561 40 0 HJABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000019591019 558941172 /nfs/dbraw/zinc/94/11/72/558941172.db2.gz WRIZDQDXJMDHSU-CPJSRVTESA-N 0 0 422.594 4.503 40 0 HJABRN Cc1sc2nc(C(C)C)n([C@@H]3CCCN(C(=O)C4CCCC4)C3)c(=O)c2c1C ZINC000072347720 558944768 /nfs/dbraw/zinc/94/47/68/558944768.db2.gz CKYNRXVOGFKSLJ-QGZVFWFLSA-N 0 0 401.576 4.552 40 0 HJABRN COCCn1cc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)c2ccccc21 ZINC000019594208 558945130 /nfs/dbraw/zinc/94/51/30/558945130.db2.gz FTIXTBGRYKZCLJ-UHFFFAOYSA-N 0 0 420.488 4.717 40 0 HJABRN O=C(CCOc1cccc(F)c1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000072353418 558950508 /nfs/dbraw/zinc/95/05/08/558950508.db2.gz XCMSIVFSSRBSBU-GOSISDBHSA-N 0 0 420.488 4.534 40 0 HJABRN CCOc1ccccc1-c1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000019659887 558951065 /nfs/dbraw/zinc/95/10/65/558951065.db2.gz 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CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C ZINC000223359587 568546414 /nfs/dbraw/zinc/54/64/14/568546414.db2.gz KDDHFRJLJSCZOZ-OAQYLSRUSA-N 0 0 414.977 4.913 40 0 HJABRN CCCC[C@H](CC)CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000223463354 568549712 /nfs/dbraw/zinc/54/97/12/568549712.db2.gz KHSNIKGJOISLNE-FQEVSTJZSA-N 0 0 416.587 4.523 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1cccnc1 ZINC000223479090 568550034 /nfs/dbraw/zinc/55/00/34/568550034.db2.gz IAOUANPFGWBBIE-FGZHOGPDSA-N 0 0 403.555 4.566 40 0 HJABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223486805 568550225 /nfs/dbraw/zinc/55/02/25/568550225.db2.gz JCWHAPPCPXFFDO-HSZRJFAPSA-N 0 0 408.586 4.513 40 0 HJABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C(C)C ZINC000223492680 568550364 /nfs/dbraw/zinc/55/03/64/568550364.db2.gz OYQUTADMCCWHBY-YADHBBJMSA-N 0 0 405.571 4.649 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223595664 568552842 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CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000223691802 568556301 /nfs/dbraw/zinc/55/63/01/568556301.db2.gz UFQLWRCYTUQTKN-UHFFFAOYSA-N 0 0 402.343 4.648 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000223717820 568557266 /nfs/dbraw/zinc/55/72/66/568557266.db2.gz OVZYFEDHXRPKRK-NRFANRHFSA-N 0 0 414.977 4.647 40 0 HJABRN COc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1Cl ZINC000223732472 568557691 /nfs/dbraw/zinc/55/76/91/568557691.db2.gz PBPYSJKEWXJUED-UHFFFAOYSA-N 0 0 403.887 4.619 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223732085 568557726 /nfs/dbraw/zinc/55/77/26/568557726.db2.gz KVXJMVOOMCFBCM-XMMPIXPASA-N 0 0 424.585 4.714 40 0 HJABRN Cc1ccccc1CN(C(=O)CCCOc1ccccc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223778714 568558760 /nfs/dbraw/zinc/55/87/60/568558760.db2.gz XJUOKJDKWUASQE-OAQYLSRUSA-N 0 0 422.569 4.630 40 0 HJABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 ZINC000223780949 568558911 /nfs/dbraw/zinc/55/89/11/568558911.db2.gz CFKUJABOQVXUAT-QGZVFWFLSA-N 0 0 418.990 4.766 40 0 HJABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000223785176 568559039 /nfs/dbraw/zinc/55/90/39/568559039.db2.gz SUJWDHYSGDQJAG-IBGZPJMESA-N 0 0 420.553 4.988 40 0 HJABRN CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000223796276 568559433 /nfs/dbraw/zinc/55/94/33/568559433.db2.gz FATAWGGIEPQROY-UHFFFAOYSA-N 0 0 416.587 4.597 40 0 HJABRN Cc1cccc(CN(C(=O)CCCOc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805131 568559533 /nfs/dbraw/zinc/55/95/33/568559533.db2.gz MKLNGHJPELTGBN-NRFANRHFSA-N 0 0 422.569 4.630 40 0 HJABRN Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223806143 568559536 /nfs/dbraw/zinc/55/95/36/568559536.db2.gz SIPIMZGVJVSKSK-NRFANRHFSA-N 0 0 406.570 4.630 40 0 HJABRN Cc1ccc(CN(C(=O)CCCOc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811666 568559759 /nfs/dbraw/zinc/55/97/59/568559759.db2.gz JUSACEYIZRDCAF-NRFANRHFSA-N 0 0 422.569 4.630 40 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558740045 /nfs/dbraw/zinc/74/00/45/558740045.db2.gz OJYGDFQKSVHEQB-UHFFFAOYSA-N 0 0 424.522 4.755 40 0 HJABRN CC[C@@H](NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000030857810 558741190 /nfs/dbraw/zinc/74/11/90/558741190.db2.gz UMJVKJJWWLUJFS-JOCHJYFZSA-N 0 0 422.550 4.534 40 0 HJABRN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 ZINC000030872421 558743565 /nfs/dbraw/zinc/74/35/65/558743565.db2.gz BGMZIVOYKWKFFA-UHFFFAOYSA-N 0 0 400.478 4.597 40 0 HJABRN COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000030946497 558746576 /nfs/dbraw/zinc/74/65/76/558746576.db2.gz JXPWQSFKKMQKBB-UHFFFAOYSA-N 0 0 421.324 4.631 40 0 HJABRN S=C1SCN(CCc2c[nH]c3ccccc23)CN1CCc1c[nH]c2ccccc12 ZINC000031769723 558752086 /nfs/dbraw/zinc/75/20/86/558752086.db2.gz WIZFYWSLOREYIF-UHFFFAOYSA-N 0 0 420.607 4.985 40 0 HJABRN Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000015796554 558753440 /nfs/dbraw/zinc/75/34/40/558753440.db2.gz HNRYQZHPVQLOEX-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN CC(=O)Nc1sc2c(c1[C@H](c1ccccc1Cl)N1CCOCC1)CCCC2 ZINC000020192288 558756282 /nfs/dbraw/zinc/75/62/82/558756282.db2.gz GWIXXGVQBHXXAE-FQEVSTJZSA-N 0 0 404.963 4.660 40 0 HJABRN COc1c(Cl)cc(Cl)cc1/C=C1/SC(=N)N(c2ccc3c(c2)OCO3)C1=O ZINC000016194510 558777508 /nfs/dbraw/zinc/77/75/08/558777508.db2.gz YEROWOJFNFLYSR-OQPSHLENSA-N 0 0 423.277 4.786 40 0 HJABRN CC[C@@H]1c2cc(OC)c(OC(C)=O)cc2[C@H](c2ccc(OC(C)=O)c(OC)c2)[C@@H]1C ZINC000034781649 558783731 /nfs/dbraw/zinc/78/37/31/558783731.db2.gz BRYNFIBJEKWEEG-LLJTVLAQSA-N 0 0 412.482 4.830 40 0 HJABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)Nc1nc2ccccc2s1)OCO4 ZINC000035288933 558789469 /nfs/dbraw/zinc/78/94/69/558789469.db2.gz NYGFGCSJDJSRRF-UHFFFAOYSA-N 0 0 420.475 4.622 40 0 HJABRN COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(C)cc2)ccc1O ZINC000035323527 558789981 /nfs/dbraw/zinc/78/99/81/558789981.db2.gz GNUUWQTWNIOKHE-XMMPIXPASA-N 0 0 411.461 4.849 40 0 HJABRN O=C1[C@@H]2[C@@H](C(=O)N1CCc1ccccc1)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000100822711 558798067 /nfs/dbraw/zinc/79/80/67/558798067.db2.gz NMCHFINFRORNIA-XPGKHFPBSA-N 0 0 407.513 4.968 40 0 HJABRN O=C(Cc1ccccc1)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000036753133 558803043 /nfs/dbraw/zinc/80/30/43/558803043.db2.gz NIMMWUAJERQZBH-UHFFFAOYSA-N 0 0 402.441 4.956 40 0 HJABRN CCCCc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C)cc1 ZINC000016755708 558805622 /nfs/dbraw/zinc/80/56/22/558805622.db2.gz QYYNWLCYBFZRLV-UHFFFAOYSA-N 0 0 415.584 4.685 40 0 HJABRN COc1ccc(C(=O)CSc2nc(C)c(C(C)=O)c(-c3ccc(OC)cc3)n2)cc1 ZINC000016768256 558806312 /nfs/dbraw/zinc/80/63/12/558806312.db2.gz HRKRMYGXMQTZJD-UHFFFAOYSA-N 0 0 422.506 4.647 40 0 HJABRN Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(Cl)cc1)SC(=N)N2 ZINC000016958342 558810397 /nfs/dbraw/zinc/81/03/97/558810397.db2.gz USKWMDLUGKCETH-MRXNPFEDSA-N 0 0 417.321 4.969 40 0 HJABRN CCCOc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000017081837 558813711 /nfs/dbraw/zinc/81/37/11/558813711.db2.gz RFJKDIOSBMSTOD-UHFFFAOYSA-N 0 0 400.434 4.528 40 0 HJABRN COC(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000038755928 558814693 /nfs/dbraw/zinc/81/46/93/558814693.db2.gz SXFADSKPCVPIKV-UHFFFAOYSA-N 0 0 407.491 4.897 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000038772829 558815480 /nfs/dbraw/zinc/81/54/80/558815480.db2.gz PJEHEELXJIIOAW-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038834523 558817674 /nfs/dbraw/zinc/81/76/74/558817674.db2.gz VSJVWLPEHWKBTE-OAHLLOKOSA-N 0 0 421.324 4.631 40 0 HJABRN CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038857667 558819568 /nfs/dbraw/zinc/81/95/68/558819568.db2.gz DHWSFJAGDZAKBF-OAHLLOKOSA-N 0 0 420.340 4.803 40 0 HJABRN O=C(C[C@@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964080 558823196 /nfs/dbraw/zinc/82/31/96/558823196.db2.gz VAJJZKQHDWGRQQ-OAQYLSRUSA-N 0 0 420.488 4.815 40 0 HJABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H]3CC=CCC3)C1)N2 ZINC000019083954 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FPBAYOJMBGWDCI-OAQYLSRUSA-N 0 0 424.585 4.831 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000223163572 568539796 /nfs/dbraw/zinc/53/97/96/568539796.db2.gz KVVUWUHOKDROLE-QFIPXVFZSA-N 0 0 410.558 4.568 40 0 HJABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1Cl ZINC000223196492 568540780 /nfs/dbraw/zinc/54/07/80/568540780.db2.gz VVOKIZCHODZSLQ-UHFFFAOYSA-N 0 0 406.269 4.714 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000223215583 568541302 /nfs/dbraw/zinc/54/13/02/568541302.db2.gz ATHBNWAPZDPUKP-HSZRJFAPSA-N 0 0 408.586 4.876 40 0 HJABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 ZINC000223226719 568541540 /nfs/dbraw/zinc/54/15/40/568541540.db2.gz YFANQNRIJKYCCR-HXUWFJFHSA-N 0 0 423.538 4.889 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C ZINC000223312392 568544900 /nfs/dbraw/zinc/54/49/00/568544900.db2.gz ZCPRGDJLFWRTAJ-QFIPXVFZSA-N 0 0 424.585 4.713 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223313185 568544927 /nfs/dbraw/zinc/54/49/27/568544927.db2.gz MTUCSSBMCPDRLA-OAQYLSRUSA-N 0 0 414.977 4.913 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C ZINC000223319924 568545087 /nfs/dbraw/zinc/54/50/87/568545087.db2.gz ANYXUFRAUVYDJI-HXUWFJFHSA-N 0 0 421.368 4.706 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1ccco1 ZINC000223331791 568545495 /nfs/dbraw/zinc/54/54/95/568545495.db2.gz RSNGPVPCMOMIAG-CVEARBPZSA-N 0 0 420.357 4.671 40 0 HJABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223348459 568545948 /nfs/dbraw/zinc/54/59/48/568545948.db2.gz VXUMAOMKIFMXLK-RUZDIDTESA-N 0 0 414.549 4.771 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223359735 568546421 /nfs/dbraw/zinc/54/64/21/568546421.db2.gz WYEXCRVDYIXZJE-OAQYLSRUSA-N 0 0 414.977 4.913 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000223363950 568546601 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CC(C)(C)c1ccc(-c2noc(CNC(=O)COc3cccc4c3CCCC4)n2)cc1 ZINC000224195134 568573241 /nfs/dbraw/zinc/57/32/41/568573241.db2.gz VHVRRBPMHGKWAB-UHFFFAOYSA-N 0 0 419.525 4.608 40 0 HJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2C)cc1 ZINC000224205324 568573704 /nfs/dbraw/zinc/57/37/04/568573704.db2.gz DECZKFNLVLAUAS-UHFFFAOYSA-N 0 0 422.550 4.998 40 0 HJABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)c3)cc2C)cc1 ZINC000224204992 568573709 /nfs/dbraw/zinc/57/37/09/568573709.db2.gz SHFCKGXUEZSHKU-UHFFFAOYSA-N 0 0 408.523 4.689 40 0 HJABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000224267080 568575883 /nfs/dbraw/zinc/57/58/83/568575883.db2.gz BRSBWASSSMDWQW-FQEVSTJZSA-N 0 0 421.368 4.788 40 0 HJABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224271600 568576073 /nfs/dbraw/zinc/57/60/73/568576073.db2.gz OTXNQDKKKAMDIQ-IBGZPJMESA-N 0 0 414.977 4.689 40 0 HJABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F ZINC000224283045 568576462 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Cc1onc(C(C)C)c1C(=O)N1CCC[C@H](c2nc3ccccn3c2NC(C)(C)C)C1 ZINC000012088145 558322764 /nfs/dbraw/zinc/32/27/64/558322764.db2.gz YMQSYAKLYFFLLS-KRWDZBQOSA-N 0 0 423.561 4.984 40 0 HJABRN Cc1nc(-c2cccnc2)sc1C(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000020030091 558324103 /nfs/dbraw/zinc/32/41/03/558324103.db2.gz HDSFWWJJEQKJML-LLVKDONJSA-N 0 0 402.317 4.767 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000020041453 558326163 /nfs/dbraw/zinc/32/61/63/558326163.db2.gz SWGJBQCVFXGTQO-SFHVURJKSA-N 0 0 408.523 4.595 40 0 HJABRN Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000020043814 558326765 /nfs/dbraw/zinc/32/67/65/558326765.db2.gz SFGBZEXBGVBONJ-FQEVSTJZSA-N 0 0 416.340 4.825 40 0 HJABRN COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 ZINC000020044126 558326789 /nfs/dbraw/zinc/32/67/89/558326789.db2.gz KXVRNEZCPOEGMR-INIZCTEOSA-N 0 0 412.555 4.877 40 0 HJABRN Cn1cc(Cl)c([C@H]2CCCCCN2C(=O)c2cc(-c3ccccc3F)no2)n1 ZINC000012119618 558330212 /nfs/dbraw/zinc/33/02/12/558330212.db2.gz SRXWGLDVBCZYCC-QGZVFWFLSA-N 0 0 402.857 4.625 40 0 HJABRN CCOc1ccc(CCC(=O)NCCSc2ccc(Cl)cc2)cc1OCC ZINC000020112218 558336333 /nfs/dbraw/zinc/33/63/33/558336333.db2.gz NUCJHUZSIUNSTB-UHFFFAOYSA-N 0 0 407.963 4.979 40 0 HJABRN CCOc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1Br ZINC000020142364 558339011 /nfs/dbraw/zinc/33/90/11/558339011.db2.gz FOTGJVZUEHUCOZ-UHFFFAOYSA-N 0 0 416.271 4.852 40 0 HJABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1C ZINC000020152128 558341101 /nfs/dbraw/zinc/34/11/01/558341101.db2.gz PLSSIFDOELBJTP-UHFFFAOYSA-N 0 0 414.914 4.836 40 0 HJABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(Cl)c1 ZINC000020151851 558341165 /nfs/dbraw/zinc/34/11/65/558341165.db2.gz AOALTQOQANSZLA-UHFFFAOYSA-N 0 0 421.305 4.873 40 0 HJABRN Cc1cc(NC(=S)NC(=O)c2ccc(OC(C)C)cc2)ccc1-c1ccc(CO)o1 ZINC000020152904 558341743 /nfs/dbraw/zinc/34/17/43/558341743.db2.gz HMPDBJZCBGZVFJ-UHFFFAOYSA-N 0 0 424.522 4.661 40 0 HJABRN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)C4CCCC4)CC3)cc2N1 ZINC000012182588 558343526 /nfs/dbraw/zinc/34/35/26/558343526.db2.gz QGRNDVSVSMUFPE-FUHWJXTLSA-N 0 0 412.500 4.723 40 0 HJABRN Cc1[nH]c2ccc(C(=O)N3CCC[C@H](n4c(=O)oc5ccc(Cl)cc54)C3)cc2c1C ZINC000012184502 558344327 /nfs/dbraw/zinc/34/43/27/558344327.db2.gz OFNQKKNWBKSYJH-KRWDZBQOSA-N 0 0 423.900 4.823 40 0 HJABRN CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 ZINC000020197146 558345731 /nfs/dbraw/zinc/34/57/31/558345731.db2.gz HCKJKBGVPAOOGM-UHFFFAOYSA-N 0 0 401.919 4.915 40 0 HJABRN COc1c(Cl)cc(C(=O)Nc2ccc(CSc3n[nH]c(C)n3)cc2)cc1Cl ZINC000020293600 558354261 /nfs/dbraw/zinc/35/42/61/558354261.db2.gz SOCFMDKQUWHJRJ-UHFFFAOYSA-N 0 0 423.325 4.973 40 0 HJABRN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000012219482 558355059 /nfs/dbraw/zinc/35/50/59/558355059.db2.gz ZAHBYHAZLUFINS-UHFFFAOYSA-N 0 0 411.908 4.655 40 0 HJABRN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC000012221100 558355948 /nfs/dbraw/zinc/35/59/48/558355948.db2.gz OMLBDZIVVYQWOP-QFIPXVFZSA-N 0 0 409.493 4.530 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020457500 558370716 /nfs/dbraw/zinc/37/07/16/558370716.db2.gz ADIBDXYWNLYCOJ-IBGZPJMESA-N 0 0 422.550 4.620 40 0 HJABRN C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 ZINC000020459628 558371997 /nfs/dbraw/zinc/37/19/97/558371997.db2.gz MEARPFZMPGNSJT-OAHLLOKOSA-N 0 0 414.914 4.632 40 0 HJABRN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 ZINC000020468051 558374090 /nfs/dbraw/zinc/37/40/90/558374090.db2.gz KODRBGQNJNPHNP-UHFFFAOYSA-N 0 0 408.523 4.863 40 0 HJABRN O=C(NC1CCCCCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000020479584 558375017 /nfs/dbraw/zinc/37/50/17/558375017.db2.gz WDHUPQJLNTUTFF-WMLDXEAASA-N 0 0 410.440 4.979 40 0 HJABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 ZINC000020483813 558376027 /nfs/dbraw/zinc/37/60/27/558376027.db2.gz QYDQVKVTFRFZLX-LJQANCHMSA-N 0 0 407.341 4.808 40 0 HJABRN Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000020488409 558376839 /nfs/dbraw/zinc/37/68/39/558376839.db2.gz CWSBIDFLCWPXQE-UHFFFAOYSA-N 0 0 422.550 4.902 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c(C)c1 ZINC000020492709 558378690 /nfs/dbraw/zinc/37/86/90/558378690.db2.gz BZRABGZXVGQLSW-IBGZPJMESA-N 0 0 422.550 4.904 40 0 HJABRN COc1ccc(/C=C/C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000020611127 558391335 /nfs/dbraw/zinc/39/13/35/558391335.db2.gz GJHLABIKMBTZMZ-LFYBBSHMSA-N 0 0 402.429 4.529 40 0 HJABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3Cl)c2C)c1-c1ccc(F)cc1 ZINC000020633761 558395213 /nfs/dbraw/zinc/39/52/13/558395213.db2.gz VJIVYARFCRDCOR-UHFFFAOYSA-N 0 0 409.852 4.707 40 0 HJABRN CC(C)CN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2C2CCCCC2)C1=O ZINC000020636594 558396208 /nfs/dbraw/zinc/39/62/08/558396208.db2.gz IPLDCDPOZQGWDL-VWLOTQADSA-N 0 0 403.526 4.743 40 0 HJABRN Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000020673050 558398858 /nfs/dbraw/zinc/39/88/58/558398858.db2.gz YUEHTYOVTIVBSI-HXUWFJFHSA-N 0 0 401.510 4.750 40 0 HJABRN Cc1cccc2c(C)nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[nH]3)nc12 ZINC000020673308 558398879 /nfs/dbraw/zinc/39/88/79/558398879.db2.gz XVZKWHQUZGINRF-UHFFFAOYSA-N 0 0 405.889 4.626 40 0 HJABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C(C)C)cc1 ZINC000020798498 558414833 /nfs/dbraw/zinc/41/48/33/558414833.db2.gz QZGCZIANXBCSJM-NRFANRHFSA-N 0 0 420.509 4.639 40 0 HJABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cccc(O)c1 ZINC000021005560 558428877 /nfs/dbraw/zinc/42/88/77/558428877.db2.gz YEQDAFIMJADGIU-HSZRJFAPSA-N 0 0 411.461 4.731 40 0 HJABRN O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Br)cc1F ZINC000021122614 558431388 /nfs/dbraw/zinc/43/13/88/558431388.db2.gz KZFNAWVQHWLFRL-UHFFFAOYSA-N 0 0 424.657 4.863 40 0 HJABRN COC(=O)CC(=O)C[C@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C ZINC000021989039 558457092 /nfs/dbraw/zinc/45/70/92/558457092.db2.gz GARMPDXDAZRRAW-JXOMPUQVSA-N 0 0 423.484 4.925 40 0 HJABRN COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000022053646 558459885 /nfs/dbraw/zinc/45/98/85/558459885.db2.gz HJACBBWJWGJVDV-UHFFFAOYSA-N 0 0 401.388 4.973 40 0 HJABRN COc1ccccc1NC(=O)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022072171 558461576 /nfs/dbraw/zinc/46/15/76/558461576.db2.gz BSZNISVFANVEAB-UHFFFAOYSA-N 0 0 403.360 4.985 40 0 HJABRN CCn1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236991 558471054 /nfs/dbraw/zinc/47/10/54/558471054.db2.gz WVEHLLRUVQRVMS-HNNXBMFYSA-N 0 0 416.443 4.791 40 0 HJABRN CC(C)c1ccccc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000022393731 558486369 /nfs/dbraw/zinc/48/63/69/558486369.db2.gz KGAIEPPOTDIQOO-UHFFFAOYSA-N 0 0 415.342 4.522 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 ZINC000022532518 558497171 /nfs/dbraw/zinc/49/71/71/558497171.db2.gz DPRBQSLPQOOCDZ-IBGZPJMESA-N 0 0 422.550 4.904 40 0 HJABRN COc1cc2ccnc(CCCc3nccc4cc(OC)c(OC)cc43)c2cc1OC ZINC000013283718 558529164 /nfs/dbraw/zinc/52/91/64/558529164.db2.gz PINOXMHMQPLDSD-UHFFFAOYSA-N 0 0 418.493 4.993 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2C)c(C)c1 ZINC000013674342 558563835 /nfs/dbraw/zinc/56/38/35/558563835.db2.gz RQMCAMBGMJOBHS-UHFFFAOYSA-N 0 0 408.523 4.689 40 0 HJABRN CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc(Cl)ccc1OC ZINC000014084710 558618757 /nfs/dbraw/zinc/61/87/57/558618757.db2.gz IDVHOJHQXWABOI-UHFFFAOYSA-N 0 0 416.934 4.666 40 0 HJABRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000014582606 558661805 /nfs/dbraw/zinc/66/18/05/558661805.db2.gz PCFIRQQGIJIPAB-LBPRGKRZSA-N 0 0 405.932 4.890 40 0 HJABRN Cc1ccc(O[C@H](C)C(=O)N(Cc2nc(-c3ccccc3Cl)no2)C(C)C)cc1 ZINC000028218376 558692915 /nfs/dbraw/zinc/69/29/15/558692915.db2.gz DYMFYRMMQMEWMJ-MRXNPFEDSA-N 0 0 413.905 4.903 40 0 HJABRN Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000015431944 558739719 /nfs/dbraw/zinc/73/97/19/558739719.db2.gz NAYUDICMCIVQPB-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN Cc1ccc([C@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1 ZINC000030859075 558741433 /nfs/dbraw/zinc/74/14/33/558741433.db2.gz CPXYRYYGUNKBBM-GOSISDBHSA-N 0 0 422.369 4.887 40 0 HJABRN CCCN1CN(c2ccccc2)C2=N[C@H](c3ccccc3)N=C(Nc3ccccc3)N2C1 ZINC000030874474 558743760 /nfs/dbraw/zinc/74/37/60/558743760.db2.gz DUEPNJDZFRHVAJ-XMMPIXPASA-N 0 0 424.552 4.972 40 0 HJABRN CCCCC(=O)Nc1ccc(NC(=O)COc2cccc3ccccc32)cc1OC ZINC000032114844 558753790 /nfs/dbraw/zinc/75/37/90/558753790.db2.gz JCPKVHNPDGZPKF-UHFFFAOYSA-N 0 0 406.482 4.995 40 0 HJABRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4Cc5cc(C)cc(O)c5[C@]4(C)C(=O)C[C@H]32)C1 ZINC000033714045 558771070 /nfs/dbraw/zinc/77/10/70/558771070.db2.gz WMRIDQKUHHKMSD-AZFDKITHSA-N 0 0 410.554 4.868 40 0 HJABRN COC(=O)c1c2c(sc1NC(=O)c1oc3c(c1C)C(=O)CC(C)(C)C3)CCCC2 ZINC000016740202 558803324 /nfs/dbraw/zinc/80/33/24/558803324.db2.gz AGCOSZDMORJRDW-UHFFFAOYSA-N 0 0 415.511 4.722 40 0 HJABRN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)c1ccc(F)cc1 ZINC000016789420 558807075 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COCc1nn2c(ncc(C(=O)Nc3ccccc3Cl)c2C)c1-c1ccccc1 ZINC000038829713 558816358 /nfs/dbraw/zinc/81/63/58/558816358.db2.gz OOHNKMXFKVLMAA-UHFFFAOYSA-N 0 0 406.873 4.757 40 0 HJABRN COCc1nn2c(ncc(C(=O)Nc3ccc(F)c(Cl)c3)c2C)c1-c1ccccc1 ZINC000038829717 558816365 /nfs/dbraw/zinc/81/63/65/558816365.db2.gz SVAALFZEVVRYJK-UHFFFAOYSA-N 0 0 424.863 4.896 40 0 HJABRN Cc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C ZINC000038833611 558817084 /nfs/dbraw/zinc/81/70/84/558817084.db2.gz CPYAJSKAZKPTNL-UHFFFAOYSA-N 0 0 401.348 4.917 40 0 HJABRN O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038848610 558818330 /nfs/dbraw/zinc/81/83/30/558818330.db2.gz HKTFGLNPKNQILX-UHFFFAOYSA-N 0 0 421.766 4.631 40 0 HJABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(Cn2ccnc2)cc1 ZINC000038852006 558819043 /nfs/dbraw/zinc/81/90/43/558819043.db2.gz ZBQLJBJXGAOFOZ-UHFFFAOYSA-N 0 0 420.365 4.901 40 0 HJABRN O=C(C[C@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964081 558823160 /nfs/dbraw/zinc/82/31/60/558823160.db2.gz 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/nfs/dbraw/zinc/52/78/64/568527864.db2.gz RZSXACPHUFCAFI-SFHVURJKSA-N 0 0 402.494 4.676 40 0 HJABRN CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222844681 568528182 /nfs/dbraw/zinc/52/81/82/568528182.db2.gz NYRYSEQKBIZVJV-LJQANCHMSA-N 0 0 414.977 4.996 40 0 HJABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)CC(C)(C)O2 ZINC000222856023 568528587 /nfs/dbraw/zinc/52/85/87/568528587.db2.gz FGETXHZIFOXHFQ-LIRRHRJNSA-N 0 0 403.906 4.843 40 0 HJABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1)CC(C)(C)O2 ZINC000222855904 568528597 /nfs/dbraw/zinc/52/85/97/568528597.db2.gz FGETXHZIFOXHFQ-KUHUBIRLSA-N 0 0 403.906 4.843 40 0 HJABRN Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000222863089 568528873 /nfs/dbraw/zinc/52/88/73/568528873.db2.gz QUZXKZZLRBQARP-KRWDZBQOSA-N 0 0 400.950 4.523 40 0 HJABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000222871325 568529117 /nfs/dbraw/zinc/52/91/17/568529117.db2.gz IBDASTSXEBFOSY-DHIUTWEWSA-N 0 0 404.583 4.931 40 0 HJABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000222882218 568529469 /nfs/dbraw/zinc/52/94/69/568529469.db2.gz JCOOJETZURYCGO-JOCHJYFZSA-N 0 0 406.482 4.568 40 0 HJABRN COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222911059 568530528 /nfs/dbraw/zinc/53/05/28/568530528.db2.gz QSFCQJAXFQPDKT-VXKWHMMOSA-N 0 0 406.555 4.509 40 0 HJABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(C)cc2)no1 ZINC000222940482 568531772 /nfs/dbraw/zinc/53/17/72/568531772.db2.gz XQTNYLBJFJVKIN-FQEVSTJZSA-N 0 0 407.514 4.816 40 0 HJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccncc2)c1C ZINC000222953005 568532115 /nfs/dbraw/zinc/53/21/15/568532115.db2.gz PPNQUDSCDYIXNM-PKTZIBPZSA-N 0 0 419.598 4.716 40 0 HJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1OC ZINC000222955838 568532186 /nfs/dbraw/zinc/53/21/86/568532186.db2.gz GZVBATAPPHAQDA-YADHBBJMSA-N 0 0 406.555 4.654 40 0 HJABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000223017907 568534450 /nfs/dbraw/zinc/53/44/50/568534450.db2.gz FXUOFZNPOAKYKV-FQEVSTJZSA-N 0 0 407.341 4.808 40 0 HJABRN CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 ZINC000223046578 568535467 /nfs/dbraw/zinc/53/54/67/568535467.db2.gz MSCRQDFCYKSJQM-XMMPIXPASA-N 0 0 420.940 4.616 40 0 HJABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C ZINC000223049473 568535527 /nfs/dbraw/zinc/53/55/27/568535527.db2.gz KZXWQYDJKDGBJR-FCHUYYIVSA-N 0 0 412.603 4.624 40 0 HJABRN O=C(c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 ZINC000223080773 568536714 /nfs/dbraw/zinc/53/67/14/568536714.db2.gz UPXLBYOTGGTPMH-UHFFFAOYSA-N 0 0 414.480 4.617 40 0 HJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223084041 568536952 /nfs/dbraw/zinc/53/69/52/568536952.db2.gz VCBNKAXLNUWANW-RBUKOAKNSA-N 0 0 414.977 4.831 40 0 HJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223084103 568536961 /nfs/dbraw/zinc/53/69/61/568536961.db2.gz VCBNKAXLNUWANW-MOPGFXCFSA-N 0 0 414.977 4.831 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223085275 568537058 /nfs/dbraw/zinc/53/70/58/568537058.db2.gz UQDFMJPBIFUXBY-OAQYLSRUSA-N 0 0 408.586 4.824 40 0 HJABRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)n1-c1cccnc1 ZINC000223090253 568537193 /nfs/dbraw/zinc/53/71/93/568537193.db2.gz LQHMRTPWOISNKW-XZOQPEGZSA-N 0 0 417.582 4.881 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1C1CCCCC1 ZINC000223091075 568537206 /nfs/dbraw/zinc/53/72/06/568537206.db2.gz ILKGCNDPDNVZOU-YADHBBJMSA-N 0 0 406.555 4.830 40 0 HJABRN CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000223130254 568538669 /nfs/dbraw/zinc/53/86/69/568538669.db2.gz WATFNSAFMVEJPN-MOPGFXCFSA-N 0 0 412.549 4.653 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223177677 568540195 /nfs/dbraw/zinc/54/01/95/568540195.db2.gz LOTOWSZTYWGBRT-IBGZPJMESA-N 0 0 414.977 4.833 40 0 HJABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 ZINC000223188387 568540531 /nfs/dbraw/zinc/54/05/31/568540531.db2.gz QTSWFQFPIFPHNV-MIDMBNTASA-N 0 0 402.494 4.853 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223191907 568540616 /nfs/dbraw/zinc/54/06/16/568540616.db2.gz GVEPGQFBBWXGCL-GOSISDBHSA-N 0 0 400.950 4.525 40 0 HJABRN CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223212729 568541154 /nfs/dbraw/zinc/54/11/54/568541154.db2.gz RLKWEDWAYWDYEJ-HSZRJFAPSA-N 0 0 424.585 4.658 40 0 HJABRN CCc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 ZINC000223228529 568541733 /nfs/dbraw/zinc/54/17/33/568541733.db2.gz JBXSERKVFZWJLW-GOSISDBHSA-N 0 0 422.550 4.849 40 0 HJABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000223255728 568542939 /nfs/dbraw/zinc/54/29/39/568542939.db2.gz CZOQPZZIYBEDJK-LEYFIJQKSA-N 0 0 400.478 4.553 40 0 HJABRN CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223302870 568544597 /nfs/dbraw/zinc/54/45/97/568544597.db2.gz KPVULSWUOUCICH-HSZRJFAPSA-N 0 0 424.585 4.658 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223305619 568544762 /nfs/dbraw/zinc/54/47/62/568544762.db2.gz DBRWXPJAPFFOFP-HSZRJFAPSA-N 0 0 408.586 4.876 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1Cl ZINC000223305625 568544786 /nfs/dbraw/zinc/54/47/86/568544786.db2.gz DARZTDOSFVXLSF-CQSZACIVSA-N 0 0 411.951 4.829 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223313133 568544849 /nfs/dbraw/zinc/54/48/49/568544849.db2.gz MTUCSSBMCPDRLA-NRFANRHFSA-N 0 0 414.977 4.913 40 0 HJABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C(C)C ZINC000223336200 568545626 /nfs/dbraw/zinc/54/56/26/568545626.db2.gz KUTNOVBTZAPCJP-SFHVURJKSA-N 0 0 408.542 4.740 40 0 HJABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccccc2C)cc1 ZINC000223349924 568546099 /nfs/dbraw/zinc/54/60/99/568546099.db2.gz IAHIHVBVLSNWQG-JVDNRXPZSA-N 0 0 420.534 4.713 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1ccco1 ZINC000223354692 568546204 /nfs/dbraw/zinc/54/62/04/568546204.db2.gz LPEVOTZMZACNFX-VXKWHMMOSA-N 0 0 400.507 4.638 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1Cc1ccco1 ZINC000223354634 568546222 /nfs/dbraw/zinc/54/62/22/568546222.db2.gz LPEVOTZMZACNFX-FGZHOGPDSA-N 0 0 400.507 4.638 40 0 HJABRN Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1 ZINC000223356025 568546299 /nfs/dbraw/zinc/54/62/99/568546299.db2.gz DERUOKWZBMAKRP-FGZHOGPDSA-N 0 0 418.497 4.777 40 0 HJABRN CCOc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 ZINC000223361711 568546446 /nfs/dbraw/zinc/54/64/46/568546446.db2.gz ARQDVSJCAQTCNI-QNGOZBTKSA-N 0 0 420.534 4.543 40 0 HJABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000223416777 568548255 /nfs/dbraw/zinc/54/82/55/568548255.db2.gz GEMYMUWZHKINSG-VXKWHMMOSA-N 0 0 420.582 4.819 40 0 HJABRN CCC[C@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000223416862 568548274 /nfs/dbraw/zinc/54/82/74/568548274.db2.gz BBZPVMAAKXAPBU-ZDUSSCGKSA-N 0 0 410.923 4.528 40 0 HJABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCCC(C)C)c2ccccc2)cc1 ZINC000223557292 568551699 /nfs/dbraw/zinc/55/16/99/568551699.db2.gz HJFCXKJLINPBCN-QHCPKHFHSA-N 0 0 410.558 4.583 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 ZINC000223639991 568554459 /nfs/dbraw/zinc/55/44/59/568554459.db2.gz UTBKOCGSEVKYKF-DEOSSOPVSA-N 0 0 424.585 4.714 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000223646625 568554801 /nfs/dbraw/zinc/55/48/01/568554801.db2.gz MYFXACGXTOOTRX-DEOSSOPVSA-N 0 0 408.586 4.878 40 0 HJABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223649328 568554910 /nfs/dbraw/zinc/55/49/10/568554910.db2.gz RWZHBFYVJZVCJG-GCJKJVERSA-N 0 0 414.977 4.995 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 ZINC000223656128 568555178 /nfs/dbraw/zinc/55/51/78/568555178.db2.gz XOHOQOGPYFKKCW-QFIPXVFZSA-N 0 0 412.599 4.811 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223665751 568555481 /nfs/dbraw/zinc/55/54/81/568555481.db2.gz ZUDGHBNHQDQBNS-QHCPKHFHSA-N 0 0 424.585 4.577 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSc1ccccc1 ZINC000223675424 568555820 /nfs/dbraw/zinc/55/58/20/568555820.db2.gz JIXBCBBKUCPPDI-OAQYLSRUSA-N 0 0 412.599 4.543 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223674300 568555854 /nfs/dbraw/zinc/55/58/54/568555854.db2.gz XJVPHMKWNQYVHZ-QHCPKHFHSA-N 0 0 424.585 4.577 40 0 HJABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1Cl ZINC000223706876 568556819 /nfs/dbraw/zinc/55/68/19/568556819.db2.gz BYDHXXGPXIEODH-CQSZACIVSA-N 0 0 401.890 4.802 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223730578 568557617 /nfs/dbraw/zinc/55/76/17/568557617.db2.gz GTGRZSUPOKPBFT-QFIPXVFZSA-N 0 0 414.977 4.915 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223735906 568557710 /nfs/dbraw/zinc/55/77/10/568557710.db2.gz BVSRRTUOAKTHOY-XMMPIXPASA-N 0 0 424.585 4.660 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl ZINC000223745777 568557883 /nfs/dbraw/zinc/55/78/83/568557883.db2.gz VIFLLNDNRIWNJI-JOCHJYFZSA-N 0 0 414.977 4.915 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223785528 568558966 /nfs/dbraw/zinc/55/89/66/568558966.db2.gz DBWHDQIZNWRTLQ-QFIPXVFZSA-N 0 0 414.977 4.915 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223808994 568559633 /nfs/dbraw/zinc/55/96/33/568559633.db2.gz QHJBBLHJHZFWFS-OAQYLSRUSA-N 0 0 418.940 4.745 40 0 HJABRN Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811878 568559761 /nfs/dbraw/zinc/55/97/61/568559761.db2.gz UZQDQXRQMRXHOP-NRFANRHFSA-N 0 0 406.570 4.630 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223815302 568559808 /nfs/dbraw/zinc/55/98/08/568559808.db2.gz NYHNPFPPTPNRIK-HSZRJFAPSA-N 0 0 412.549 4.709 40 0 HJABRN Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 ZINC000223829317 568560099 /nfs/dbraw/zinc/56/00/99/568560099.db2.gz JPSPEDSVOQDNRK-SFHVURJKSA-N 0 0 412.961 4.667 40 0 HJABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 ZINC000223866746 568561326 /nfs/dbraw/zinc/56/13/26/568561326.db2.gz CIRAOLPLHZKJOG-DHIUTWEWSA-N 0 0 412.518 4.755 40 0 HJABRN S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1cnc(Br)cn1 ZINC000223915665 568562827 /nfs/dbraw/zinc/56/28/27/568562827.db2.gz IASOLUQELCBILA-UHFFFAOYSA-N 0 0 423.723 4.639 40 0 HJABRN S=C(NCc1ccccc1Cl)Nc1ccc(N2CCc3ccccc3C2)nc1 ZINC000223935558 568563535 /nfs/dbraw/zinc/56/35/35/568563535.db2.gz OIINLOIMPFTIST-UHFFFAOYSA-N 0 0 408.958 4.784 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1C ZINC000223944932 568563948 /nfs/dbraw/zinc/56/39/48/568563948.db2.gz WRZFONDJKCLVTK-IBGZPJMESA-N 0 0 422.550 4.904 40 0 HJABRN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1Cl ZINC000223965721 568564718 /nfs/dbraw/zinc/56/47/18/568564718.db2.gz YFXYMGNFIMXAEB-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223972971 568565035 /nfs/dbraw/zinc/56/50/35/568565035.db2.gz CHCYPQSSBORHBX-UHFFFAOYSA-N 0 0 414.914 4.956 40 0 HJABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000224000920 568565810 /nfs/dbraw/zinc/56/58/10/568565810.db2.gz VIHYKMDORTXYHL-YVWYTEFXSA-N 0 0 406.570 4.743 40 0 HJABRN Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224001755 568565877 /nfs/dbraw/zinc/56/58/77/568565877.db2.gz RHHMQDXSOJBUNX-UHFFFAOYSA-N 0 0 406.935 4.512 40 0 HJABRN Fc1ccc(C2(CNC(=S)Nc3cnc(Br)cn3)CCCCC2)cc1 ZINC000224007712 568565982 /nfs/dbraw/zinc/56/59/82/568565982.db2.gz JUTLQLXIVGSEDP-UHFFFAOYSA-N 0 0 423.355 4.567 40 0 HJABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2C)cc1 ZINC000224010101 568566278 /nfs/dbraw/zinc/56/62/78/568566278.db2.gz YZWWUZDEKKOYFI-UHFFFAOYSA-N 0 0 424.522 4.674 40 0 HJABRN O=C(NCCSC1CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000224012151 568566439 /nfs/dbraw/zinc/56/64/39/568566439.db2.gz KFASDXSXDSZULP-SILNSSARSA-N 0 0 414.596 4.701 40 0 HJABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 ZINC000224018035 568566494 /nfs/dbraw/zinc/56/64/94/568566494.db2.gz VELBSLLOUSFPKY-MRXNPFEDSA-N 0 0 418.990 4.764 40 0 HJABRN O=C(NCCC1CCCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000224024980 568566842 /nfs/dbraw/zinc/56/68/42/568566842.db2.gz JAFJUPOFWMPCDA-UHFFFAOYSA-N 0 0 400.544 4.578 40 0 HJABRN Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224051570 568567792 /nfs/dbraw/zinc/56/77/92/568567792.db2.gz UEUREYLOTPFDJT-UHFFFAOYSA-N 0 0 422.978 4.860 40 0 HJABRN Cc1ccc(C(=O)NC2CCCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224052427 568567997 /nfs/dbraw/zinc/56/79/97/568567997.db2.gz HXJOKIKEUWTCCO-UHFFFAOYSA-N 0 0 420.962 4.902 40 0 HJABRN CCCC[C@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000224078454 568568883 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HJABRN Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(Cl)c1 ZINC000072377141 558966535 /nfs/dbraw/zinc/96/65/35/558966535.db2.gz RAVLSGWLOJVODT-MRXNPFEDSA-N 0 0 413.934 4.512 40 0 HJABRN COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 ZINC000072378927 558967896 /nfs/dbraw/zinc/96/78/96/558967896.db2.gz JAHNYOMFMQTTQC-QFIPXVFZSA-N 0 0 418.541 4.696 40 0 HJABRN C[C@@H]1CCCN(c2ncc(CN3CCc4nc(-c5cccc(F)c5)sc4C3)cn2)C1 ZINC000072392041 558971953 /nfs/dbraw/zinc/97/19/53/558971953.db2.gz OCGHULCGTPUGJQ-MRXNPFEDSA-N 0 0 423.561 4.534 40 0 HJABRN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000019715601 558976768 /nfs/dbraw/zinc/97/67/68/558976768.db2.gz SOLZEMMWVXETEK-UHFFFAOYSA-N 0 0 403.526 4.819 40 0 HJABRN CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2ccnn2C)nc2ccccc21 ZINC000019716527 558978563 /nfs/dbraw/zinc/97/85/63/558978563.db2.gz HAQCQGLOQYJRSG-JOCHJYFZSA-N 0 0 402.473 4.998 40 0 HJABRN COCCn1c(C)c(C)c2cc(NC(=O)C3(c4ccccc4F)CCOCC3)ccc21 ZINC000019717456 558980124 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O=C(Nc1cccc(O)c1)c1cnc(-c2noc3cc(N4CCCCC4)ccc32)s1 ZINC000096154640 559099116 /nfs/dbraw/zinc/09/91/16/559099116.db2.gz FYVUKSGANVVPFR-UHFFFAOYSA-N 0 0 420.494 4.900 40 0 HJABRN CC(C)n1cnc2c1cc(C1CCN(C(=O)c3ccno3)CC1)nc2-c1ccccc1 ZINC000096155635 559099868 /nfs/dbraw/zinc/09/98/68/559099868.db2.gz UQBPYCTVFYQDEV-UHFFFAOYSA-N 0 0 415.497 4.687 40 0 HJABRN COc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1 ZINC000096234446 559103027 /nfs/dbraw/zinc/10/30/27/559103027.db2.gz LTKKIEZBWAYWPX-CYBMUJFWSA-N 0 0 417.918 4.538 40 0 HJABRN CN(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)n1 ZINC000100738937 559139048 /nfs/dbraw/zinc/13/90/48/559139048.db2.gz NHYLXGKMVOEAFB-PUZFROQSSA-N 0 0 421.589 4.575 40 0 HJABRN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)CC2)on1 ZINC000100743622 559139241 /nfs/dbraw/zinc/13/92/41/559139241.db2.gz HCEVRNOBWMNEMT-KDURUIRLSA-N 0 0 422.504 4.520 40 0 HJABRN Cc1ccc2[nH]c(Cc3ccc(NC(=O)CC[C@H]4c5ccccc5NC4=O)cc3)nc2c1 ZINC000100778562 559140658 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Cc1cccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 ZINC000113964954 559184195 /nfs/dbraw/zinc/18/41/95/559184195.db2.gz ZTGSKJKGQJRRBY-UHFFFAOYSA-N 0 0 422.550 4.830 40 0 HJABRN COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-c3cccc(C)c3)C2)cc1 ZINC000072358789 559186055 /nfs/dbraw/zinc/18/60/55/559186055.db2.gz QCHGVKZGRWPXSL-JOCHJYFZSA-N 0 0 415.537 4.799 40 0 HJABRN Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)c1 ZINC000072358963 559186063 /nfs/dbraw/zinc/18/60/63/559186063.db2.gz RGSNUISKWKEBCI-HXUWFJFHSA-N 0 0 410.521 4.882 40 0 HJABRN COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 ZINC000072359166 559186065 /nfs/dbraw/zinc/18/60/65/559186065.db2.gz MRCKAOZZEOPXAT-QFIPXVFZSA-N 0 0 415.537 4.881 40 0 HJABRN Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c1 ZINC000072359186 559186069 /nfs/dbraw/zinc/18/60/69/559186069.db2.gz BVKOEJYJJIEQQF-NRFANRHFSA-N 0 0 401.510 4.627 40 0 HJABRN COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccccc1 ZINC000006145576 559190371 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HJABRN O=C(N1CCC2(C[C@H](Oc3ccccc3)CO2)CC1)C1(c2ccc(F)cc2)CCCC1 ZINC000257237600 559284069 /nfs/dbraw/zinc/28/40/69/559284069.db2.gz HHEUMWQNEFPWEP-QHCPKHFHSA-N 0 0 423.528 4.867 40 0 HJABRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1ccc(C)cc1 ZINC000000838431 559286254 /nfs/dbraw/zinc/28/62/54/559286254.db2.gz NNUSXYJECCRBOB-UHFFFAOYSA-N 0 0 408.479 4.656 40 0 HJABRN O=C(Nc1ccccc1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000000841058 559287847 /nfs/dbraw/zinc/28/78/47/559287847.db2.gz HNEADBFAYDIRRT-UHFFFAOYSA-N 0 0 423.060 4.570 40 0 HJABRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000000846106 559288634 /nfs/dbraw/zinc/28/86/34/559288634.db2.gz LDCMILYOOPBXOD-UHFFFAOYSA-N 0 0 413.264 4.745 40 0 HJABRN Cc1csc(-c2cc3cc(Br)cc(Br)c3oc2=O)n1 ZINC000000846065 559288645 /nfs/dbraw/zinc/28/86/45/559288645.db2.gz AWPXDRGBSIYAGP-UHFFFAOYSA-N 0 0 401.079 4.750 40 0 HJABRN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000033902349 559290667 /nfs/dbraw/zinc/29/06/67/559290667.db2.gz QQEHDZXXCDSAFE-JBSAMAPISA-N 0 0 406.950 4.544 40 0 in-vitro HJABRN CC(C)(C)NC(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000865925 559292705 /nfs/dbraw/zinc/29/27/05/559292705.db2.gz CMXCWUCIFUSPMD-WPRPVWTQSA-N 0 0 406.861 4.787 40 0 HJABRN Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNS(=O)(=O)C(C)C)C=C3C)nc2c1 ZINC000072320850 560077146 /nfs/dbraw/zinc/07/71/46/560077146.db2.gz MIVIYWITWWGLSN-UFYCRDLUSA-N 0 0 417.619 4.596 40 0 biogenic,in-vitro HJABRN C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)C4C(=O)C(=O)[C@@]3(C)[C@]13O[C@@H]3C[C@H]2c1ccoc1 ZINC000019795890 560094250 /nfs/dbraw/zinc/09/42/50/560094250.db2.gz OQMUOVSEPOBWMK-BWLMZZBKSA-N 0 0 422.521 4.893 40 0 biogenic,in-vitro HJABRN C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccc(Br)cc1 ZINC000000873404 560536702 /nfs/dbraw/zinc/53/67/02/560536702.db2.gz LAYDASPHQIBIKY-NSHDSACASA-N 0 0 404.289 4.618 40 0 HJABRN CCOC(=O)[C@@H](CC)Sc1nnc(COc2cccc(C)c2)n1-c1ccccc1 ZINC000000875834 560537226 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ICYYMTLWQVGHKP-GOSISDBHSA-N 0 0 424.522 4.510 40 0 HJABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(I)cc1 ZINC000022532058 558497284 /nfs/dbraw/zinc/49/72/84/558497284.db2.gz MHKNQQVAKINHSA-MRXNPFEDSA-N 0 0 409.267 4.704 40 0 HJABRN O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 ZINC000013634278 558553314 /nfs/dbraw/zinc/55/33/14/558553314.db2.gz CHNMTHYTBNERKK-ZDUSSCGKSA-N 0 0 410.886 4.576 40 0 HJABRN Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccs2)C4)c1 ZINC000013634414 558553319 /nfs/dbraw/zinc/55/33/19/558553319.db2.gz FKCDBUNQJKTFTK-OAHLLOKOSA-N 0 0 406.536 4.699 40 0 HJABRN CCOc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 ZINC000013673642 558563360 /nfs/dbraw/zinc/56/33/60/558563360.db2.gz HGFWVYPEZYIEOB-UHFFFAOYSA-N 0 0 424.522 4.755 40 0 HJABRN Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000013684530 558568735 /nfs/dbraw/zinc/56/87/35/558568735.db2.gz PDTYJVZVBBLSKT-UHFFFAOYSA-N 0 0 402.494 4.559 40 0 HJABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(I)cc2C)c1 ZINC000013710597 558575866 /nfs/dbraw/zinc/57/58/66/558575866.db2.gz FMNONFSTUCNCKJ-CQSZACIVSA-N 0 0 409.267 4.622 40 0 HJABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714141 558577721 /nfs/dbraw/zinc/57/77/21/558577721.db2.gz BECYCHFQPWOUQH-LJQANCHMSA-N 0 0 408.951 4.647 40 0 HJABRN CC[C@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714177 558577750 /nfs/dbraw/zinc/57/77/50/558577750.db2.gz FXTALNWQEKCCJR-HXUWFJFHSA-N 0 0 416.930 4.677 40 0 HJABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716114 558579204 /nfs/dbraw/zinc/57/92/04/558579204.db2.gz KKIQVPOFBFTSAN-OAQYLSRUSA-N 0 0 402.560 4.610 40 0 HJABRN CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716536 558579595 /nfs/dbraw/zinc/57/95/95/558579595.db2.gz LUUYDDRUAAWMKY-OAQYLSRUSA-N 0 0 402.560 4.610 40 0 HJABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1Cl ZINC000014002745 558612455 /nfs/dbraw/zinc/61/24/55/558612455.db2.gz WXNDRUZMMPHNSQ-UHFFFAOYSA-N 0 0 400.906 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Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000038752199 558813615 /nfs/dbraw/zinc/81/36/15/558813615.db2.gz ILBGWPALHVWGQM-UHFFFAOYSA-N 0 0 408.523 4.594 40 0 HJABRN Cc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038833483 558817072 /nfs/dbraw/zinc/81/70/72/558817072.db2.gz XUXJFQGVMNPPDJ-UHFFFAOYSA-N 0 0 401.348 4.917 40 0 HJABRN COc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1OC ZINC000038834965 558817820 /nfs/dbraw/zinc/81/78/20/558817820.db2.gz NZWGXAMDRPZKTC-UHFFFAOYSA-N 0 0 423.340 4.861 40 0 HJABRN Cc1ccc(NC(=O)C[C@H]2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000039964021 558823012 /nfs/dbraw/zinc/82/30/12/558823012.db2.gz AQXDPARURFMJAD-QHCPKHFHSA-N 0 0 424.504 4.504 40 0 HJABRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Cl)c4)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000101056836 558825851 /nfs/dbraw/zinc/82/58/51/558825851.db2.gz WNDKNSZFOUQZQR-FSSWDIPSSA-N 0 0 418.880 4.700 40 0 HJABRN COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCCC[C@@H]4[C@@H]3C2=O)cc1 ZINC000017217176 558825980 /nfs/dbraw/zinc/82/59/80/558825980.db2.gz GECBHJXRQAUPDJ-KLDKWKSESA-N 0 0 400.478 4.737 40 0 HJABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000018014358 558829584 /nfs/dbraw/zinc/82/95/84/558829584.db2.gz ZHYLUKOHTCSMMT-GOSISDBHSA-N 0 0 408.523 4.595 40 0 HJABRN Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000018014360 558829620 /nfs/dbraw/zinc/82/96/20/558829620.db2.gz ZHYLUKOHTCSMMT-SFHVURJKSA-N 0 0 408.523 4.595 40 0 HJABRN Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000018243927 558834461 /nfs/dbraw/zinc/83/44/61/558834461.db2.gz BZFIDLSMIYHAND-ROUUACIJSA-N 0 0 411.885 4.590 40 0 HJABRN Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C1=O ZINC000013513354 558835623 /nfs/dbraw/zinc/83/56/23/558835623.db2.gz FSNRYIANYKCYPE-FKBYEOEOSA-N 0 0 418.880 4.700 40 0 HJABRN COc1ccc(C(=O)Nc2ccc([C@H]3c4ccsc4CCN3C(C)=O)cc2)cc1 ZINC000019018106 558837288 /nfs/dbraw/zinc/83/72/88/558837288.db2.gz OKYTZSMEGONRTD-QFIPXVFZSA-N 0 0 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ZINC000019349536 558875176 /nfs/dbraw/zinc/87/51/76/558875176.db2.gz NJXPNIGAQNEPFO-OALUTQOASA-N 0 0 400.569 4.836 40 0 HJABRN O=C(c1ccccn1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373246 558880294 /nfs/dbraw/zinc/88/02/94/558880294.db2.gz XTXANPIRMSWPCW-JOCHJYFZSA-N 0 0 422.492 4.655 40 0 HJABRN O=C(c1cccc(F)c1F)N1CCC(c2nnc(-c3nccc4ccccc43)o2)CC1 ZINC000019376530 558882452 /nfs/dbraw/zinc/88/24/52/558882452.db2.gz PNKNKAFHHUBBNI-UHFFFAOYSA-N 0 0 420.419 4.583 40 0 HJABRN CC(C)Nc1ncc(-c2ccccn2)c(C2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000019450257 558888680 /nfs/dbraw/zinc/88/86/80/558888680.db2.gz ROQFAISLUZQZPN-UHFFFAOYSA-N 0 0 407.562 4.645 40 0 HJABRN CC(C)c1cc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)no1 ZINC000019452678 558890354 /nfs/dbraw/zinc/89/03/54/558890354.db2.gz NORHPLFGGLWSGI-UHFFFAOYSA-N 0 0 406.408 4.713 40 0 HJABRN COc1ccc(CN(Cc2cnn(Cc3ccccc3)c2C)Cc2ccncc2)cc1 ZINC000057797055 558890426 /nfs/dbraw/zinc/89/04/26/558890426.db2.gz YHSWXHRDUOCCJD-UHFFFAOYSA-N 0 0 412.537 4.846 40 0 HJABRN CC(C)n1cnc2cc(C(=O)N3CCc4onc(-c5cccc(F)c5)c4C3)ccc21 ZINC000019455008 558891754 /nfs/dbraw/zinc/89/17/54/558891754.db2.gz SZZDCPUBGNMWAG-UHFFFAOYSA-N 0 0 404.445 4.610 40 0 HJABRN CCOc1ccc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)o1 ZINC000019519883 558900784 /nfs/dbraw/zinc/90/07/84/558900784.db2.gz JFEJIEIMJJVTPS-UHFFFAOYSA-N 0 0 407.392 4.593 40 0 HJABRN CCCOc1cc2c(cc1CN[C@H](Cc1cccs1)c1nccs1)OCO2 ZINC000019503848 558900881 /nfs/dbraw/zinc/90/08/81/558900881.db2.gz GSJRAIUTMVUABN-MRXNPFEDSA-N 0 0 402.541 4.796 40 0 HJABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc2N1 ZINC000019520660 558901697 /nfs/dbraw/zinc/90/16/97/558901697.db2.gz UAYFJBZHWHTQMS-LZLYRXPVSA-N 0 0 412.500 4.867 40 0 HJABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)cc2N1 ZINC000019520773 558901993 /nfs/dbraw/zinc/90/19/93/558901993.db2.gz RBCCALCZSYUCQT-HYVNUMGLSA-N 0 0 424.515 4.938 40 0 HJABRN CCc1cc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)cs1 ZINC000019522109 558903432 /nfs/dbraw/zinc/90/34/32/558903432.db2.gz LEFAYIYLFCRPRG-UHFFFAOYSA-N 0 0 411.575 4.583 40 0 HJABRN CCc1nc2ccccc2n1C[C@@H](C)C(=O)N[C@H](c1cccs1)c1ccncc1 ZINC000019523273 558904390 /nfs/dbraw/zinc/90/43/90/558904390.db2.gz QSQYNNAPJALDIQ-ZHRRBRCNSA-N 0 0 404.539 4.597 40 0 HJABRN CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)Cc2cccc(F)c2)n1 ZINC000019525550 558906890 /nfs/dbraw/zinc/90/68/90/558906890.db2.gz NVLBHJNRFTYJLZ-FQEVSTJZSA-N 0 0 422.504 4.828 40 0 HJABRN CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)Cc2ccc(C)cc2)n1 ZINC000019525646 558907031 /nfs/dbraw/zinc/90/70/31/558907031.db2.gz OBQAYPCKKOSQHE-NRFANRHFSA-N 0 0 418.541 4.916 40 0 HJABRN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccccc2OC)n1 ZINC000019525593 558907038 /nfs/dbraw/zinc/90/70/38/558907038.db2.gz OGLRJSIUGUGRCP-OAQYLSRUSA-N 0 0 416.525 4.867 40 0 HJABRN CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)C2CCC2)C1 ZINC000019528428 558909506 /nfs/dbraw/zinc/90/95/06/558909506.db2.gz NPXVZRPDQMNEFO-XMMPIXPASA-N 0 0 410.583 4.503 40 0 HJABRN Cc1noc2nc([C@H]3CCCN(C(=O)c4ccccc4F)C3)cc(C(F)(F)F)c12 ZINC000019564149 558924316 /nfs/dbraw/zinc/92/43/16/558924316.db2.gz LNHMOXGZLQTBOA-LBPRGKRZSA-N 0 0 407.367 4.709 40 0 HJABRN Cc1nc[nH]c1CN1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 ZINC000019577034 558932961 /nfs/dbraw/zinc/93/29/61/558932961.db2.gz MZKTWCWCBPKUQA-JCGIZDLHSA-N 0 0 410.488 4.585 40 0 HJABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2ccccc2)C1 ZINC000019580161 558935742 /nfs/dbraw/zinc/93/57/42/558935742.db2.gz GAGWUGZNOSMRJD-MHZLTWQESA-N 0 0 412.533 4.517 40 0 HJABRN COCc1ccc(CN2[C@@H]3CC[C@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)o1 ZINC000072336973 558937376 /nfs/dbraw/zinc/93/73/76/558937376.db2.gz MMWHEIPUIIYTKV-JPYJTQIMSA-N 0 0 414.509 4.706 40 0 HJABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000019591063 558941318 /nfs/dbraw/zinc/94/13/18/558941318.db2.gz FIBODCOWCPLBKL-CLOONOSVSA-N 0 0 422.594 4.669 40 0 HJABRN O=C(COc1ccccc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000072349072 558945931 /nfs/dbraw/zinc/94/59/31/558945931.db2.gz OSMWCSGLEIXSPR-UHFFFAOYSA-N 0 0 404.485 4.597 40 0 HJABRN O=C(COc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000072349071 558945937 /nfs/dbraw/zinc/94/59/37/558945937.db2.gz SVARZMXLOVRZCG-HXUWFJFHSA-N 0 0 404.485 4.597 40 0 HJABRN COc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)n2)c1 ZINC000072349590 558946529 /nfs/dbraw/zinc/94/65/29/558946529.db2.gz FBSWADCSNUMRBR-FQEVSTJZSA-N 0 0 404.485 4.845 40 0 HJABRN COc1ccc(-c2ccccc2NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 ZINC000019660474 558951593 /nfs/dbraw/zinc/95/15/93/558951593.db2.gz FQAPBSGRFVYRSE-UHFFFAOYSA-N 0 0 400.478 4.737 40 0 HJABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072354824 558952032 /nfs/dbraw/zinc/95/20/32/558952032.db2.gz JDBMZIUBHRJAFH-KRWDZBQOSA-N 0 0 404.436 4.598 40 0 HJABRN O=C(NCc1cccc(N2CCCCC2)c1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000019662051 558953064 /nfs/dbraw/zinc/95/30/64/558953064.db2.gz SVCVNIVXGWXHIP-UHFFFAOYSA-N 0 0 412.961 4.695 40 0 HJABRN Cn1cnc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc21 ZINC000072356478 558953340 /nfs/dbraw/zinc/95/33/40/558953340.db2.gz NTFKYJQXOGOXNG-LJQANCHMSA-N 0 0 414.484 4.794 40 0 HJABRN O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072358204 558953924 /nfs/dbraw/zinc/95/39/24/558953924.db2.gz UWQPGVIKRCPKLW-QHCPKHFHSA-N 0 0 408.448 4.693 40 0 HJABRN Cc1csc(Nc2cccc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)c2)n1 ZINC000019663965 558954596 /nfs/dbraw/zinc/95/45/96/558954596.db2.gz VSDLMYYYAVJIBD-UHFFFAOYSA-N 0 0 405.483 4.517 40 0 HJABRN CCOc1ccccc1-c1nnc(NC(=O)c2cc3cccc(OC)c3nc2C)s1 ZINC000019664772 558955259 /nfs/dbraw/zinc/95/52/59/558955259.db2.gz JGIIJNQKUMCVCS-UHFFFAOYSA-N 0 0 420.494 4.721 40 0 HJABRN COc1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(Cc2ccccc2)cn1 ZINC000019687946 558957545 /nfs/dbraw/zinc/95/75/45/558957545.db2.gz BASLHLXFXDETER-DEOSSOPVSA-N 0 0 400.522 4.977 40 0 HJABRN 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HJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(Cl)c1Cl ZINC000222928406 568531305 /nfs/dbraw/zinc/53/13/05/568531305.db2.gz HXYHPAHRAFEBOW-GFCCVEGCSA-N 0 0 414.354 4.920 40 0 HJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(OC)c1 ZINC000222976870 568532922 /nfs/dbraw/zinc/53/29/22/568532922.db2.gz FPJOCBVWKRHUGA-VXKWHMMOSA-N 0 0 406.555 4.654 40 0 HJABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000223004956 568533959 /nfs/dbraw/zinc/53/39/59/568533959.db2.gz YBQJDXZDVDACFV-FCHUYYIVSA-N 0 0 412.603 4.624 40 0 HJABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000223017839 568534432 /nfs/dbraw/zinc/53/44/32/568534432.db2.gz FXUOFZNPOAKYKV-HXUWFJFHSA-N 0 0 407.341 4.808 40 0 HJABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 ZINC000223020128 568534448 /nfs/dbraw/zinc/53/44/48/568534448.db2.gz SYBZKTBZIORVHH-HXUWFJFHSA-N 0 0 402.922 4.974 40 0 HJABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 ZINC000223020195 568534499 /nfs/dbraw/zinc/53/44/99/568534499.db2.gz SYBZKTBZIORVHH-FQEVSTJZSA-N 0 0 402.922 4.974 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl ZINC000223042930 568535379 /nfs/dbraw/zinc/53/53/79/568535379.db2.gz YWQZAEVAIXONGN-SFHVURJKSA-N 0 0 400.950 4.525 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 ZINC000223043027 568535390 /nfs/dbraw/zinc/53/53/90/568535390.db2.gz QVEQECKTQUDJAL-GOSISDBHSA-N 0 0 400.950 4.525 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 ZINC000223047278 568535464 /nfs/dbraw/zinc/53/54/64/568535464.db2.gz RQFMZAILFGHUER-HXUWFJFHSA-N 0 0 412.599 4.811 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc21 ZINC000223055611 568535802 /nfs/dbraw/zinc/53/58/02/568535802.db2.gz HKFUHYIKZMLXRM-XMMPIXPASA-N 0 0 402.538 4.634 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc21 ZINC000223055555 568535847 /nfs/dbraw/zinc/53/58/47/568535847.db2.gz HKFUHYIKZMLXRM-DEOSSOPVSA-N 0 0 402.538 4.634 40 0 HJABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223070982 568536406 /nfs/dbraw/zinc/53/64/06/568536406.db2.gz ALDCGEHWTRHAQF-ROUUACIJSA-N 0 0 400.950 4.523 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 ZINC000223077420 568536636 /nfs/dbraw/zinc/53/66/36/568536636.db2.gz BEPSLTAMDKWWPO-QFIPXVFZSA-N 0 0 424.585 4.796 40 0 HJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl ZINC000223082027 568536800 /nfs/dbraw/zinc/53/68/00/568536800.db2.gz ZTGRFQZFSMGZHW-CVEARBPZSA-N 0 0 421.368 4.868 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 ZINC000223094679 568537435 /nfs/dbraw/zinc/53/74/35/568537435.db2.gz NPBVKWULMRUTAH-FQEVSTJZSA-N 0 0 412.599 4.562 40 0 HJABRN CC[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 ZINC000223129291 568538674 /nfs/dbraw/zinc/53/86/74/568538674.db2.gz GJCHUNISSBTGCZ-FQEVSTJZSA-N 0 0 422.388 4.899 40 0 HJABRN Nc1nc(COc2ccc(F)cc2)nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000026099342 568539018 /nfs/dbraw/zinc/53/90/18/568539018.db2.gz RCDCPTMKQYNDHA-UHFFFAOYSA-N 0 0 420.513 4.550 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223163706 568539781 /nfs/dbraw/zinc/53/97/81/568539781.db2.gz ZZFQLDHLRJAXHV-QHCPKHFHSA-N 0 0 424.585 4.876 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000223184415 568540339 /nfs/dbraw/zinc/54/03/39/568540339.db2.gz BIVAAUPBVMEXGL-HXUWFJFHSA-N 0 0 418.990 4.517 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223183349 568540346 /nfs/dbraw/zinc/54/03/46/568540346.db2.gz TWESGGMUDNIVGS-GOSISDBHSA-N 0 0 400.950 4.525 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 ZINC000223207109 568541034 /nfs/dbraw/zinc/54/10/34/568541034.db2.gz IXKPPDWYETVGQC-NRFANRHFSA-N 0 0 414.977 4.913 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C ZINC000223215517 568541297 /nfs/dbraw/zinc/54/12/97/568541297.db2.gz ATHBNWAPZDPUKP-QHCPKHFHSA-N 0 0 408.586 4.876 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C ZINC000223222163 568541421 /nfs/dbraw/zinc/54/14/21/568541421.db2.gz RDSXQKWQZGCPIT-JOCHJYFZSA-N 0 0 424.585 4.713 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223221186 568541500 /nfs/dbraw/zinc/54/15/00/568541500.db2.gz DXEXUPPSWGXGTG-INIZCTEOSA-N 0 0 421.368 4.870 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 ZINC000223229551 568541766 /nfs/dbraw/zinc/54/17/66/568541766.db2.gz PIUGAUQPDTZPLI-GOSISDBHSA-N 0 0 400.950 4.525 40 0 HJABRN COc1cc(C)c(S(=O)(=O)NCCSCc2ccccc2C)cc1C(C)C ZINC000223294193 568544205 /nfs/dbraw/zinc/54/42/05/568544205.db2.gz GNRBFRDLRGQKCC-UHFFFAOYSA-N 0 0 407.601 4.647 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223297749 568544345 /nfs/dbraw/zinc/54/43/45/568544345.db2.gz CLSLONAPOMWCGN-NRFANRHFSA-N 0 0 414.977 4.913 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)ccc1C ZINC000223302720 568544657 /nfs/dbraw/zinc/54/46/57/568544657.db2.gz VRGSQMZPGDUIMR-JOCHJYFZSA-N 0 0 424.585 4.713 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1C[C@@H]1CCCO1 ZINC000223326909 568545222 /nfs/dbraw/zinc/54/52/22/568545222.db2.gz CKRFROWZZMQYFA-KSEOMHKRSA-N 0 0 410.587 4.540 40 0 HJABRN CCc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000223336524 568545624 /nfs/dbraw/zinc/54/56/24/568545624.db2.gz LYDNWLGAYXNXOL-SFHVURJKSA-N 0 0 422.550 4.565 40 0 HJABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223339422 568545723 /nfs/dbraw/zinc/54/57/23/568545723.db2.gz COPBRWUNHWEPPX-RUZDIDTESA-N 0 0 400.522 4.525 40 0 HJABRN Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223355882 568546280 /nfs/dbraw/zinc/54/62/80/568546280.db2.gz HNDBXFJFGSKZDV-FCHUYYIVSA-N 0 0 418.497 4.777 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1 ZINC000223366065 568546723 /nfs/dbraw/zinc/54/67/23/568546723.db2.gz STVLSJMEYIJIKY-YADHBBJMSA-N 0 0 400.507 4.638 40 0 HJABRN CCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 ZINC000223374750 568546890 /nfs/dbraw/zinc/54/68/90/568546890.db2.gz SFLXRXPGPGOIGC-UHFFFAOYSA-N 0 0 420.534 4.561 40 0 HJABRN CCc1cc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1OC ZINC000223375291 568546945 /nfs/dbraw/zinc/54/69/45/568546945.db2.gz JXZWWSRBSKCSSG-MRXNPFEDSA-N 0 0 405.560 4.738 40 0 HJABRN CCN(c1ccc2sc(C(=O)NCC(C)C)cc2c1)S(=O)(=O)c1ccccc1 ZINC000223393079 568547275 /nfs/dbraw/zinc/54/72/75/568547275.db2.gz VBLHVJYNIOIPAE-UHFFFAOYSA-N 0 0 416.568 4.502 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223403094 568547518 /nfs/dbraw/zinc/54/75/18/568547518.db2.gz UYAVTTJRDZCZPC-HXUWFJFHSA-N 0 0 418.940 4.744 40 0 HJABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223405300 568547630 /nfs/dbraw/zinc/54/76/30/568547630.db2.gz WIYSSPUGYUWQAX-DEOSSOPVSA-N 0 0 420.940 4.789 40 0 HJABRN COC(=O)c1ccc(NC2CCCCCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223410018 568547849 /nfs/dbraw/zinc/54/78/49/568547849.db2.gz TYBKVEYBGLWDTM-UHFFFAOYSA-N 0 0 416.543 4.717 40 0 HJABRN COC(=O)c1ccc(Nc2ccc(C)cc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223411637 568547898 /nfs/dbraw/zinc/54/78/98/568547898.db2.gz UBDAQYCFMZWCTK-UHFFFAOYSA-N 0 0 410.495 4.634 40 0 HJABRN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C ZINC000223417583 568548242 /nfs/dbraw/zinc/54/82/42/568548242.db2.gz RVUSRTZKKYHUDH-XZOQPEGZSA-N 0 0 420.582 4.701 40 0 HJABRN CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223416883 568548272 /nfs/dbraw/zinc/54/82/72/568548272.db2.gz VFEHIWNARWPETC-NRFANRHFSA-N 0 0 400.950 4.838 40 0 HJABRN CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223418878 568548444 /nfs/dbraw/zinc/54/84/44/568548444.db2.gz HCHRLDQXBKZDJV-JOCHJYFZSA-N 0 0 424.928 4.975 40 0 HJABRN CC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000223421253 568548470 /nfs/dbraw/zinc/54/84/70/568548470.db2.gz SCWAOPCRPQYLAV-INIZCTEOSA-N 0 0 404.532 4.571 40 0 HJABRN CCCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000223423481 568548562 /nfs/dbraw/zinc/54/85/62/568548562.db2.gz ONGMJVTZLYCSGX-UHFFFAOYSA-N 0 0 418.559 4.963 40 0 HJABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 ZINC000223476429 568550004 /nfs/dbraw/zinc/55/00/04/568550004.db2.gz UBUHSBYBHIKCGG-RUZDIDTESA-N 0 0 418.512 4.930 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccncc1 ZINC000223517102 568550793 /nfs/dbraw/zinc/55/07/93/568550793.db2.gz FKUIYEDOCLZSNN-GOTSBHOMSA-N 0 0 417.582 4.956 40 0 HJABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 ZINC000223520634 568550965 /nfs/dbraw/zinc/55/09/65/568550965.db2.gz IIJSJNWMMSIGQO-OYADDEIPSA-N 0 0 418.493 4.553 40 0 HJABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000223537528 568551148 /nfs/dbraw/zinc/55/11/48/568551148.db2.gz BQRTXSVLYRHFFA-NRFANRHFSA-N 0 0 414.549 4.762 40 0 HJABRN COc1ccc(CN(C(C)=O)[C@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 ZINC000223540528 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CC(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)cc1 ZINC000408679366 557686080 /nfs/dbraw/zinc/68/60/80/557686080.db2.gz WFQXKFXJDXBMCJ-UHFFFAOYSA-N 0 0 415.424 4.525 40 0 HJABRN COc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn32)c(OC)c1 ZINC000408678742 557686982 /nfs/dbraw/zinc/68/69/82/557686982.db2.gz UXZDZWVPVGMYEE-UHFFFAOYSA-N 0 0 414.461 4.753 40 0 HJABRN COc1ccc(OC)c(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)c1 ZINC000408678689 557687016 /nfs/dbraw/zinc/68/70/16/557687016.db2.gz UQLOTJJYZQATJG-UHFFFAOYSA-N 0 0 418.424 4.584 40 0 HJABRN CCOCCCNC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000035311599 557687382 /nfs/dbraw/zinc/68/73/82/557687382.db2.gz PBIUVBOGIISKMJ-UHFFFAOYSA-N 0 0 415.946 4.585 40 0 HJABRN O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccco1)C(=O)c1ccccn1 ZINC000035312531 557688323 /nfs/dbraw/zinc/68/83/23/557688323.db2.gz FATAJGWGEJHZDE-OAQYLSRUSA-N 0 0 423.538 4.569 40 0 HJABRN O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)NC(=O)CO2 ZINC000035313312 557689035 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c1ccc(CN2[C@@H](n3nnc4ccccc43)CCC[C@@H]2n2nnc3ccccc32)cc1 ZINC000006475077 557704213 /nfs/dbraw/zinc/70/42/13/557704213.db2.gz LPYAYUKCSXCEBZ-ZEQRLZLVSA-N 0 0 409.497 4.560 40 0 HJABRN Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(F)cc2)cc1Cl ZINC000408692871 557706394 /nfs/dbraw/zinc/70/63/94/557706394.db2.gz XHODKYKOKLUJOF-UHFFFAOYSA-N 0 0 420.875 4.965 40 0 HJABRN Cc1cc(I)cnc1NC(=O)c1ccc(Cl)cc1Cl ZINC000006572486 557708665 /nfs/dbraw/zinc/70/86/65/557708665.db2.gz ISVZKQCXYMYLBU-UHFFFAOYSA-N 0 0 407.038 4.554 40 0 HJABRN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000408694886 557709774 /nfs/dbraw/zinc/70/97/74/557709774.db2.gz JCPFDROMMGFSOP-SFHVURJKSA-N 0 0 424.522 4.510 40 0 HJABRN O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(Br)c1 ZINC000006615769 557710496 /nfs/dbraw/zinc/71/04/96/557710496.db2.gz WKLIHHYYKVERGR-UHFFFAOYSA-N 0 0 418.360 4.566 40 0 HJABRN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1Cl ZINC000006627698 557711060 /nfs/dbraw/zinc/71/10/60/557711060.db2.gz JSSWNZOTJIMQCS-UHFFFAOYSA-N 0 0 400.887 4.528 40 0 HJABRN COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(C)c2)n1 ZINC000408696500 557711109 /nfs/dbraw/zinc/71/11/09/557711109.db2.gz AHDURNDDADRIRK-UHFFFAOYSA-N 0 0 402.429 4.643 40 0 HJABRN CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1 ZINC000408693969 557711676 /nfs/dbraw/zinc/71/16/76/557711676.db2.gz GHXNHBSAHPKRLN-UHFFFAOYSA-N 0 0 402.429 4.724 40 0 HJABRN COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)c1 ZINC000408699499 557712113 /nfs/dbraw/zinc/71/21/13/557712113.db2.gz XGKCIFCUKAZINN-UHFFFAOYSA-N 0 0 414.465 4.512 40 0 HJABRN COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)cc1 ZINC000408698293 557714900 /nfs/dbraw/zinc/71/49/00/557714900.db2.gz OUBGFEFVJSHEHH-UHFFFAOYSA-N 0 0 416.456 4.951 40 0 HJABRN CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 ZINC000408701755 557725228 /nfs/dbraw/zinc/72/52/28/557725228.db2.gz FHIBQEICOJDPOA-UHFFFAOYSA-N 0 0 420.962 4.719 40 0 HJABRN CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000006953175 557731213 /nfs/dbraw/zinc/73/12/13/557731213.db2.gz IDFZRXUJLLXLBD-CQSZACIVSA-N 0 0 400.544 4.647 40 0 HJABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)c1 ZINC000408705748 557731602 /nfs/dbraw/zinc/73/16/02/557731602.db2.gz MSGGCNAORDLZCO-SFHVURJKSA-N 0 0 424.522 4.510 40 0 HJABRN Cc1cccc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1C ZINC000408714126 557748856 /nfs/dbraw/zinc/74/88/56/557748856.db2.gz JGMAFNUNOWRVDB-UHFFFAOYSA-N 0 0 407.514 4.688 40 0 HJABRN CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000007649279 557753563 /nfs/dbraw/zinc/75/35/63/557753563.db2.gz ICWLSEZDIRWAFP-UHFFFAOYSA-N 0 0 402.494 4.700 40 0 HJABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCSCc1ccccc1 ZINC000007686061 557755969 /nfs/dbraw/zinc/75/59/69/557755969.db2.gz ULKLDRZUXJOIOZ-UHFFFAOYSA-N 0 0 401.919 4.672 40 0 HJABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1ccc(C(=O)Nc3cccc(Cl)c3)cc1)C2=O ZINC000408720944 557768690 /nfs/dbraw/zinc/76/86/90/557768690.db2.gz BRRJBPMWGUMKTH-FDDCHVKYSA-N 0 0 410.901 4.908 40 0 HJABRN Cc1ccc(C)c(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 ZINC000408738951 557809134 /nfs/dbraw/zinc/80/91/34/557809134.db2.gz XIBKPBYVWINKOV-GHTZIAJQSA-N 0 0 412.530 4.741 40 0 HJABRN Cc1ccccc1CSc1nnc(-c2ccc(I)cc2)o1 ZINC000009200191 557829037 /nfs/dbraw/zinc/82/90/37/557829037.db2.gz IWGLCNIYTIEKEX-UHFFFAOYSA-N 0 0 408.264 4.942 40 0 HJABRN CN(c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(=O)(=O)c1cccs1 ZINC000010009593 557853595 /nfs/dbraw/zinc/85/35/95/557853595.db2.gz JAIIUMDPBCQBJI-UHFFFAOYSA-N 0 0 422.531 4.979 40 0 HJABRN Cc1cc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c(C)c1 ZINC000010009636 557853615 /nfs/dbraw/zinc/85/36/15/557853615.db2.gz WIPMSABAOGUGGO-UHFFFAOYSA-N 0 0 414.552 4.751 40 0 HJABRN CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000010333975 557860917 /nfs/dbraw/zinc/86/09/17/557860917.db2.gz BYWNRIHGNAAZFD-UHFFFAOYSA-N 0 0 408.523 4.621 40 0 HJABRN O=C(CCc1ccccc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000010457881 558257628 /nfs/dbraw/zinc/25/76/28/558257628.db2.gz CGKUPWYAUWKNIN-UHFFFAOYSA-N 0 0 406.913 4.884 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(Cl)c1Cl ZINC000010544153 558259153 /nfs/dbraw/zinc/25/91/53/558259153.db2.gz ZHPLJLDICLQZGQ-GFCCVEGCSA-N 0 0 416.326 4.583 40 0 HJABRN COc1ccccc1-c1nnc(CSc2nnc(-c3ccccc3Cl)o2)o1 ZINC000019928122 558308528 /nfs/dbraw/zinc/30/85/28/558308528.db2.gz FEVKVLPKRWTMCD-UHFFFAOYSA-N 0 0 400.847 4.741 40 0 HJABRN COc1cccc(OCc2nnc(SCc3cccc(Br)c3)o2)c1 ZINC000019928620 558308857 /nfs/dbraw/zinc/30/88/57/558308857.db2.gz QFHFPBPBEINOFY-UHFFFAOYSA-N 0 0 407.289 4.712 40 0 HJABRN COc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000020044533 558326941 /nfs/dbraw/zinc/32/69/41/558326941.db2.gz UNNCUKZNEZFYGZ-CQSZACIVSA-N 0 0 406.320 4.837 40 0 HJABRN COc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000020044535 558326975 /nfs/dbraw/zinc/32/69/75/558326975.db2.gz UNNCUKZNEZFYGZ-AWEZNQCLSA-N 0 0 406.320 4.837 40 0 HJABRN COc1ccc(CN(C)C(=O)CSCc2c(Cl)cccc2Cl)cc1OC ZINC000020046538 558327577 /nfs/dbraw/zinc/32/75/77/558327577.db2.gz BGMURRSZDJCECV-UHFFFAOYSA-N 0 0 414.354 4.902 40 0 HJABRN Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3ccncc3)cc2)on1 ZINC000012159074 558341397 /nfs/dbraw/zinc/34/13/97/558341397.db2.gz RXJHLJPRNWOPLV-UHFFFAOYSA-N 0 0 413.481 4.555 40 0 HJABRN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 ZINC000020152696 558341479 /nfs/dbraw/zinc/34/14/79/558341479.db2.gz DOFUIQPIEOQQEO-UHFFFAOYSA-N 0 0 424.522 4.663 40 0 HJABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 ZINC000012160766 558341748 /nfs/dbraw/zinc/34/17/48/558341748.db2.gz BNYNCHGSLWBOGM-CIRFHOKZSA-N 0 0 424.511 4.889 40 0 HJABRN C[C@H](C(=O)Nc1ccc(C2CCCCC2)cc1)n1nc(-c2cccs2)cc(N)c1=O ZINC000012181595 558342983 /nfs/dbraw/zinc/34/29/83/558342983.db2.gz VBNTXKZEOMMGMD-OAHLLOKOSA-N 0 0 422.554 4.801 40 0 HJABRN COc1ccc2cnc([C@@H]3CCCN(C(=O)c4c(OC)cccc4OC)C3)cc2c1C ZINC000012187852 558346817 /nfs/dbraw/zinc/34/68/17/558346817.db2.gz VUZFBJQABXUKPN-GOSISDBHSA-N 0 0 420.509 4.589 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@@H](c3cc4c(ccc(OC)c4C)cn3)C2)cc1 ZINC000012187869 558346889 /nfs/dbraw/zinc/34/68/89/558346889.db2.gz AWTAYDLKQKCNGG-HXUWFJFHSA-N 0 0 404.510 4.509 40 0 HJABRN Cc1nc(SCc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)n[nH]1 ZINC000020293585 558354199 /nfs/dbraw/zinc/35/41/99/558354199.db2.gz WZIMRGOKWVZOMQ-UHFFFAOYSA-N 0 0 404.948 4.790 40 0 HJABRN Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@H](C)n2nc(C(F)F)cc2C)n1 ZINC000012227895 558357282 /nfs/dbraw/zinc/35/72/82/558357282.db2.gz JVHYAUKRSSNQMA-SWLSCSKDSA-N 0 0 410.515 4.617 40 0 HJABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC000012238432 558359168 /nfs/dbraw/zinc/35/91/68/558359168.db2.gz MBMNKACGVOVKMR-FQEVSTJZSA-N 0 0 420.944 4.955 40 0 HJABRN CCCC(=O)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000012242084 558360592 /nfs/dbraw/zinc/36/05/92/558360592.db2.gz KYOHNLHTNSMZQE-ZDUSSCGKSA-N 0 0 422.476 4.983 40 0 HJABRN CCCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)s1 ZINC000012242164 558360742 /nfs/dbraw/zinc/36/07/42/558360742.db2.gz NUBKBPPGYFIWFG-IBGZPJMESA-N 0 0 406.555 4.996 40 0 HJABRN Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)c3oc(C(C)(C)C)cc3C)C2)on1 ZINC000012251930 558362465 /nfs/dbraw/zinc/36/24/65/558362465.db2.gz JPSSOOFOEPFKKT-CQSZACIVSA-N 0 0 414.531 4.720 40 0 HJABRN CCOC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000020452346 558366541 /nfs/dbraw/zinc/36/65/41/558366541.db2.gz XZZTUXIWFJWHAE-UHFFFAOYSA-N 0 0 422.717 4.765 40 0 HJABRN CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 ZINC000020481634 558375277 /nfs/dbraw/zinc/37/52/77/558375277.db2.gz NUXIFTCJNRVYRF-OAQYLSRUSA-N 0 0 422.550 4.985 40 0 HJABRN COc1ccc(CCC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1OC ZINC000020484735 558376209 /nfs/dbraw/zinc/37/62/09/558376209.db2.gz ADKGJSXEJXNOQG-UHFFFAOYSA-N 0 0 423.484 4.671 40 0 HJABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(I)cc1 ZINC000020494754 558379961 /nfs/dbraw/zinc/37/99/61/558379961.db2.gz KPXPPJWBRIJUSL-ZDUSSCGKSA-N 0 0 409.267 4.821 40 0 HJABRN Cc1nnc2sc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 ZINC000020609583 558389462 /nfs/dbraw/zinc/38/94/62/558389462.db2.gz TZXJSHKXJMRBAK-UHFFFAOYSA-N 0 0 404.282 4.720 40 0 HJABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 ZINC000020610412 558390557 /nfs/dbraw/zinc/39/05/57/558390557.db2.gz WQHUSGPSLBQVGZ-HNNXBMFYSA-N 0 0 404.445 4.989 40 0 HJABRN CCc1nn2c(nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccc(F)cc1 ZINC000020672717 558398613 /nfs/dbraw/zinc/39/86/13/558398613.db2.gz AQNPTPZSGJMKLB-UHFFFAOYSA-N 0 0 409.852 4.707 40 0 HJABRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)c1 ZINC000020795940 558414147 /nfs/dbraw/zinc/41/41/47/558414147.db2.gz ASVAVWAUFRMTIG-GOSISDBHSA-N 0 0 400.507 4.638 40 0 HJABRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cccc(O)c1 ZINC000021005562 558428943 /nfs/dbraw/zinc/42/89/43/558428943.db2.gz YEQDAFIMJADGIU-QHCPKHFHSA-N 0 0 411.461 4.731 40 0 HJABRN CCn1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(=O)c2cc(C)ccc21 ZINC000022234792 558470260 /nfs/dbraw/zinc/47/02/60/558470260.db2.gz HWYIPQKXWMUNFV-AWEZNQCLSA-N 0 0 413.315 4.583 40 0 HJABRN CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1Oc1ccccc1)cn2C ZINC000022237375 558471291 /nfs/dbraw/zinc/47/12/91/558471291.db2.gz YTDHUXPKCAXTFC-UHFFFAOYSA-N 0 0 414.461 4.982 40 0 HJABRN CC(C)c1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000022382826 558484932 /nfs/dbraw/zinc/48/49/32/558484932.db2.gz FFPQIUQDGBDURX-UHFFFAOYSA-N 0 0 415.342 4.522 40 0 HJABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000022521865 558494800 /nfs/dbraw/zinc/49/48/00/558494800.db2.gz UXBDHEIAJOSYGS-LJQANCHMSA-N 0 0 400.906 4.762 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3)ccc2C)cc1 ZINC000022522960 558494956 /nfs/dbraw/zinc/49/49/56/558494956.db2.gz LPSLJESEWAFVAL-LJQANCHMSA-N 0 0 422.550 4.904 40 0 HJABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000022526355 558495810 /nfs/dbraw/zinc/49/58/10/558495810.db2.gz ODQXKGLMLDEWPZ-QGZVFWFLSA-N 0 0 401.528 4.826 40 0 HJABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000022526362 558495865 /nfs/dbraw/zinc/49/58/65/558495865.db2.gz ODQXKGLMLDEWPZ-KRWDZBQOSA-N 0 0 401.528 4.826 40 0 HJABRN CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 ZINC000022530016 558496721 /nfs/dbraw/zinc/49/67/21/558496721.db2.gz UPOFCPBIGKRWGD-XUZZJYLKSA-N 0 0 420.534 4.935 40 0 HJABRN COc1ccccc1N1CCN([C@@H](C)C(=O)n2c3ccccc3c3ccccc32)CC1 ZINC000037100507 558504780 /nfs/dbraw/zinc/50/47/80/558504780.db2.gz USUPQZPLKKDNCA-IBGZPJMESA-N 0 0 413.521 4.654 40 0 HJABRN Cc1cnc(-c2nc(C3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)no2)cn1 ZINC000013227834 558527192 /nfs/dbraw/zinc/52/71/92/558527192.db2.gz ZRGIYEXKGLVVQJ-UHFFFAOYSA-N 0 0 404.301 4.521 40 0 HJABRN Cc1ccccc1OCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1C ZINC000013233568 558527496 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CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711968 558576274 /nfs/dbraw/zinc/57/62/74/558576274.db2.gz KVZHFURMQIIYOA-IBGZPJMESA-N 0 0 408.951 4.647 40 0 HJABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712476 558576776 /nfs/dbraw/zinc/57/67/76/558576776.db2.gz SGYXGWDUJHKPRK-IBGZPJMESA-N 0 0 422.978 4.648 40 0 HJABRN CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714143 558577788 /nfs/dbraw/zinc/57/77/88/558577788.db2.gz BECYCHFQPWOUQH-IBGZPJMESA-N 0 0 408.951 4.647 40 0 HJABRN CCCC1([C@H](O)CCC[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)OC)CCC1 ZINC000027639815 558677457 /nfs/dbraw/zinc/67/74/57/558677457.db2.gz HOESNYASPMLJNB-UGESXGAOSA-N 0 0 410.595 4.568 40 0 in-vitro HJABRN C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039763842 558685903 /nfs/dbraw/zinc/68/59/03/558685903.db2.gz PFPZYBTYCYCCKQ-QGZVFWFLSA-N 0 0 402.941 4.829 40 0 HJABRN COc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1Cl ZINC000039756170 558687883 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Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 ZINC000030852899 558740421 /nfs/dbraw/zinc/74/04/21/558740421.db2.gz YKYQRRROEIZSLK-XDHUDOTRSA-N 0 0 420.534 4.853 40 0 HJABRN Cc1ccc([C@@H](NS(=O)(=O)c2ccc(Br)s2)c2ccccc2)cc1 ZINC000030859070 558741456 /nfs/dbraw/zinc/74/14/56/558741456.db2.gz CPXYRYYGUNKBBM-SFHVURJKSA-N 0 0 422.369 4.887 40 0 HJABRN Cc1c(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc2[n+]1[O-] ZINC000016249276 558780860 /nfs/dbraw/zinc/78/08/60/558780860.db2.gz IKKQPFPVNMNPFJ-UHFFFAOYSA-N 0 0 409.894 4.935 40 0 HJABRN Cc1cc(C)cc(OCC(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 ZINC000016269302 558782646 /nfs/dbraw/zinc/78/26/46/558782646.db2.gz XUKORBMEFZMQOC-UHFFFAOYSA-N 0 0 419.959 4.767 40 0 HJABRN Cc1cc(Cl)ccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000016282512 558783375 /nfs/dbraw/zinc/78/33/75/558783375.db2.gz ACGSKANPPQURPW-UHFFFAOYSA-N 0 0 420.962 4.611 40 0 HJABRN Cc1ccc(N[S@](=O)c2c(C)cc(C)cc2C)c(-c2nc3ccccc3[nH]c2=O)c1 ZINC000016291390 558783905 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Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000038755503 558814599 /nfs/dbraw/zinc/81/45/99/558814599.db2.gz WCTNCQLUWBBYGY-IBGZPJMESA-N 0 0 422.550 4.904 40 0 HJABRN COCc1nn2c(ncc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1ccc(Cl)cc1 ZINC000038829781 558816391 /nfs/dbraw/zinc/81/63/91/558816391.db2.gz VWLXEUYIFRKTGM-UHFFFAOYSA-N 0 0 424.863 4.896 40 0 HJABRN Cc1cc(C)cc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000038833548 558817035 /nfs/dbraw/zinc/81/70/35/558817035.db2.gz ZJWDTWMXXMECPL-UHFFFAOYSA-N 0 0 401.348 4.917 40 0 HJABRN O=C(Nc1ccccc1Cl)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038833778 558817282 /nfs/dbraw/zinc/81/72/82/558817282.db2.gz JMAYEPQMYHWSCT-UHFFFAOYSA-N 0 0 407.739 4.953 40 0 HJABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CC3CCCC3)CC1)N2 ZINC000019084129 558840700 /nfs/dbraw/zinc/84/07/00/558840700.db2.gz JMDRUGLXJNKDMQ-ZWKOTPCHSA-N 0 0 422.564 4.990 40 0 HJABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H]3CC=CCC3)C1)N2 ZINC000019083956 558840704 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Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(F)cc2)C4)c1 ZINC000020671399 558398412 /nfs/dbraw/zinc/39/84/12/558398412.db2.gz CMTNQJOSYPEVOR-KRWDZBQOSA-N 0 0 418.497 4.777 40 0 HJABRN CCc1nn2c(nnc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccc(F)cc1 ZINC000020672732 558398593 /nfs/dbraw/zinc/39/85/93/558398593.db2.gz XWILSRONXKOVHN-UHFFFAOYSA-N 0 0 409.852 4.707 40 0 HJABRN CCc1ccc2nc(Nc3nc(C)c(Cc4ccc(Cl)cc4)c(=O)[nH]3)nc(C)c2c1 ZINC000020673299 558398812 /nfs/dbraw/zinc/39/88/12/558398812.db2.gz ARTFKVJVRRKCPN-UHFFFAOYSA-N 0 0 419.916 4.880 40 0 HJABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(C)cc2)[C@H](C(=O)OCC)C1=O ZINC000020675529 558399611 /nfs/dbraw/zinc/39/96/11/558399611.db2.gz IQAMBJJBENNXBY-FCHUYYIVSA-N 0 0 419.525 4.650 40 0 HJABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc(C)c1 ZINC000020802763 558415951 /nfs/dbraw/zinc/41/59/51/558415951.db2.gz XBUSCVSGKCGURT-FGZHOGPDSA-N 0 0 419.525 4.506 40 0 HJABRN COc1ccccc1CNc1ncccc1C(=O)Nc1cccc(Br)c1 ZINC000022072643 558461767 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Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)Nc1ccccc1 ZINC000022529607 558496544 /nfs/dbraw/zinc/49/65/44/558496544.db2.gz HIGNFLPJCHFYCB-QFIPXVFZSA-N 0 0 420.534 4.603 40 0 HJABRN CCn1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022606073 558500624 /nfs/dbraw/zinc/50/06/24/558500624.db2.gz RBJKLWBITYVLQT-GFCCVEGCSA-N 0 0 406.379 4.670 40 0 HJABRN COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000013408979 558531910 /nfs/dbraw/zinc/53/19/10/558531910.db2.gz RPBAJJRDQPLSHK-ZVKCTTDXSA-N 0 0 406.607 4.566 40 0 HJABRN Cn1ccnc1SC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918926 558545686 /nfs/dbraw/zinc/54/56/86/558545686.db2.gz PGSWBIZOBGMFIQ-FSSNKTKLSA-N 0 0 416.631 4.567 40 0 HJABRN CCCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000013609888 558548287 /nfs/dbraw/zinc/54/82/87/558548287.db2.gz ODLUCKPSGXDWLF-UHFFFAOYSA-N 0 0 416.568 4.565 40 0 HJABRN 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CCCCc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 ZINC000408708222 557735464 /nfs/dbraw/zinc/73/54/64/557735464.db2.gz HROPBKYVTLZLRA-UHFFFAOYSA-N 0 0 400.522 4.916 40 0 HJABRN Cc1ccccc1N1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CC1=O ZINC000408709287 557736346 /nfs/dbraw/zinc/73/63/46/557736346.db2.gz ZALFNMAWHSWCGH-QHCPKHFHSA-N 0 0 412.533 4.686 40 0 HJABRN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000408709581 557736784 /nfs/dbraw/zinc/73/67/84/557736784.db2.gz UKJAPSHGRNLPCR-UHFFFAOYSA-N 0 0 409.368 4.807 40 0 HJABRN O=C1CCCN1c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 ZINC000007369487 557739899 /nfs/dbraw/zinc/73/98/99/557739899.db2.gz ATJMJCDOQPHSOE-UHFFFAOYSA-N 0 0 405.976 4.546 40 0 HJABRN CCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc(Cl)ccc21 ZINC000408712995 557744512 /nfs/dbraw/zinc/74/45/12/557744512.db2.gz FOQRDYTUKNDRFE-UHFFFAOYSA-N 0 0 408.929 4.770 40 0 HJABRN Cc1cc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)ccc1Cl ZINC000007688094 557756241 /nfs/dbraw/zinc/75/62/41/557756241.db2.gz 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CC1=C(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)[C@@H](C)NN1Cc1ccccc1C ZINC000020418487 558361483 /nfs/dbraw/zinc/36/14/83/558361483.db2.gz AZBRNLAOVDMZNY-OAHLLOKOSA-N 0 0 422.916 4.674 40 0 HJABRN CN(C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)C1CCCCC1 ZINC000020457970 558370894 /nfs/dbraw/zinc/37/08/94/558370894.db2.gz MDZIGMQNYDHMPR-RUZDIDTESA-N 0 0 422.594 4.908 40 0 HJABRN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000020459794 558372193 /nfs/dbraw/zinc/37/21/93/558372193.db2.gz PIQYZPMRVUZPCA-GOSISDBHSA-N 0 0 424.522 4.510 40 0 HJABRN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cccc(OC)c2)sc2c1CCCC2 ZINC000020492863 558378722 /nfs/dbraw/zinc/37/87/22/558378722.db2.gz QMKOOKIANSULGC-QGZVFWFLSA-N 0 0 417.527 4.608 40 0 HJABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 ZINC000020610069 558390198 /nfs/dbraw/zinc/39/01/98/558390198.db2.gz MTTGHJGFAPDHFY-UHFFFAOYSA-N 0 0 416.481 4.716 40 0 HJABRN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1OC ZINC000020610498 558390753 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415.537 4.597 40 0 HJABRN CC(C)CC(=O)N1CCc2c3ccccc3[nH]c2[C@]12c1ccccc1N(C(C)C)C2=O ZINC000013635259 558553635 /nfs/dbraw/zinc/55/36/35/558553635.db2.gz WCYHBYSIVYICCN-SANMLTNESA-N 0 0 415.537 4.597 40 0 HJABRN CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 ZINC000013673842 558563398 /nfs/dbraw/zinc/56/33/98/558563398.db2.gz GTWXLJKQLRYAAC-UHFFFAOYSA-N 0 0 424.522 4.755 40 0 HJABRN O=C(CSCc1c(F)cccc1Cl)NCCSCc1ccccc1F ZINC000013676255 558564457 /nfs/dbraw/zinc/56/44/57/558564457.db2.gz IGSFJWVLUTVWQX-UHFFFAOYSA-N 0 0 401.931 4.901 40 0 HJABRN O=C(CSCc1ccc(F)cc1)Nc1nnc(SCc2ccccc2)s1 ZINC000023684390 558567629 /nfs/dbraw/zinc/56/76/29/558567629.db2.gz OXVWUEPULNKMFU-UHFFFAOYSA-N 0 0 405.545 4.841 40 0 HJABRN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 ZINC000013708508 558575098 /nfs/dbraw/zinc/57/50/98/558575098.db2.gz APXNQBCDDPCMQR-SFHVURJKSA-N 0 0 408.929 4.918 40 0 HJABRN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711966 558576334 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CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013994944 558611476 /nfs/dbraw/zinc/61/14/76/558611476.db2.gz HWRGQCAPOOFDMX-HSZRJFAPSA-N 0 0 416.521 4.764 40 0 HJABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000013999713 558612002 /nfs/dbraw/zinc/61/20/02/558612002.db2.gz GCTUWIROTVZSOB-MOPGFXCFSA-N 0 0 402.494 4.892 40 0 HJABRN O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(I)cc1 ZINC000014217354 558638367 /nfs/dbraw/zinc/63/83/67/558638367.db2.gz BJWZRDZBJJXWLR-UHFFFAOYSA-N 0 0 418.234 4.518 40 0 HJABRN COC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000014649561 558662659 /nfs/dbraw/zinc/66/26/59/558662659.db2.gz NJYHMLAXHHXCLS-UHFFFAOYSA-N 0 0 420.303 4.551 40 0 HJABRN CCn1nc(C)c2c1nc(C)cc2C(=O)Nc1cc(C)nn1Cc1ccccc1Cl ZINC000036615994 558730564 /nfs/dbraw/zinc/73/05/64/558730564.db2.gz PHRWNWAEBHFYIM-UHFFFAOYSA-N 0 0 422.920 4.527 40 0 HJABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000030751983 558736097 /nfs/dbraw/zinc/73/60/97/558736097.db2.gz AVFPSHWBPUAVMJ-FQEVSTJZSA-N 0 0 416.521 4.948 40 0 HJABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000030857426 558741249 /nfs/dbraw/zinc/74/12/49/558741249.db2.gz NILFJIGIXBDDTC-UHFFFAOYSA-N 0 0 416.886 4.756 40 0 HJABRN COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000030864184 558742250 /nfs/dbraw/zinc/74/22/50/558742250.db2.gz IJQXMCLQULKZDL-ROUUACIJSA-N 0 0 418.493 4.592 40 0 HJABRN Cc1ccc2c(c1)cc(CN(Cc1ccccc1Cl)C(=O)C1CCC1)c1nnnn12 ZINC000035289177 558789552 /nfs/dbraw/zinc/78/95/52/558789552.db2.gz AKYRPTDNVSQMQK-UHFFFAOYSA-N 0 0 419.916 4.568 40 0 HJABRN COc1cccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036293379 558798939 /nfs/dbraw/zinc/79/89/39/558798939.db2.gz RTCIOOGXUGTSSP-UHFFFAOYSA-N 0 0 414.414 4.659 40 0 HJABRN Fc1cccc(-c2nc3c(s2)CN(Cc2cncn2Cc2ccccc2)CC3)c1 ZINC000036752144 558802712 /nfs/dbraw/zinc/80/27/12/558802712.db2.gz ZKIAQEUQFXKUIN-UHFFFAOYSA-N 0 0 404.514 4.752 40 0 HJABRN Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cnccn2)cc1 ZINC000016789572 558807254 /nfs/dbraw/zinc/80/72/54/558807254.db2.gz AWRRESQDNDTLTP-UHFFFAOYSA-N 0 0 421.913 4.661 40 0 HJABRN Brc1ccc(Cc2nnc(Cc3ccc(Br)cc3)o2)cc1 ZINC000073634406 558809365 /nfs/dbraw/zinc/80/93/65/558809365.db2.gz XOLCYAKXIVPWFO-UHFFFAOYSA-N 0 0 408.093 4.776 40 0 HJABRN COc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000016902459 558809076 /nfs/dbraw/zinc/80/90/76/558809076.db2.gz SEYUOYMAIOZJJP-SFHVURJKSA-N 0 0 421.541 4.628 40 0 HJABRN CCOC(=O)c1ccc2nc(-c3ccc(I)cc3)sc2c1 ZINC000073740435 558809252 /nfs/dbraw/zinc/80/92/52/558809252.db2.gz SVRVJGCNJATAMJ-UHFFFAOYSA-N 0 0 409.248 4.745 40 0 HJABRN O=C(Nc1ccc(F)cc1F)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000038853596 558819058 /nfs/dbraw/zinc/81/90/58/558819058.db2.gz SMJAENSWWKDNPV-UHFFFAOYSA-N 0 0 409.274 4.578 40 0 HJABRN C[C@@H]1CCCC[C@@H]1N1C(=O)[C@@H](CC(=O)Nc2ccccc2)n2c3ccccc3nc21 ZINC000039964054 558823028 /nfs/dbraw/zinc/82/30/28/558823028.db2.gz ARQJGEPDWWYSNZ-LKUPVBHCSA-N 0 0 402.498 4.532 40 0 HJABRN Cc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000101010919 558825119 /nfs/dbraw/zinc/82/51/19/558825119.db2.gz QBVBZOBHRWSSFE-HJOGWXRNSA-N 0 0 412.489 4.663 40 0 HJABRN O=C(/C=C\c1ccc(Cl)cc1)NCCCCNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000017421522 558827412 /nfs/dbraw/zinc/82/74/12/558827412.db2.gz CGSDJGYNWMIMLE-PVRNWPCDSA-N 0 0 417.336 4.733 40 0 HJABRN Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Br)cc3F)n2)cc1 ZINC000018945146 558836407 /nfs/dbraw/zinc/83/64/07/558836407.db2.gz RPXDBDZYGJENPQ-UHFFFAOYSA-N 0 0 404.239 4.518 40 0 HJABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000019084757 558840923 /nfs/dbraw/zinc/84/09/23/558840923.db2.gz WHRQRAMMVZISHF-UHFFFAOYSA-N 0 0 406.555 4.917 40 0 HJABRN CC(C)C(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000019085570 558841230 /nfs/dbraw/zinc/84/12/30/558841230.db2.gz BVUYYYXGTIIWTE-OFQRWUPVSA-N 0 0 412.481 4.924 40 0 HJABRN Cc1cc(-c2cn[nH]c2[C@H]2CCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000019121004 558843047 /nfs/dbraw/zinc/84/30/47/558843047.db2.gz IXADHCFYFKJJQP-MRXNPFEDSA-N 0 0 405.285 4.586 40 0 HJABRN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)C3CCCCC3)CC2)on1 ZINC000019122777 558843862 /nfs/dbraw/zinc/84/38/62/558843862.db2.gz ZWDURXYNELTCAQ-UHFFFAOYSA-N 0 0 411.550 4.547 40 0 HJABRN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C4CCOCC4)C3)c(-c3cccnc3)c2c1 ZINC000019220156 558851656 /nfs/dbraw/zinc/85/16/56/558851656.db2.gz RDBUHWXFTDUEST-FQEVSTJZSA-N 0 0 403.526 4.671 40 0 HJABRN Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000019290079 558862524 /nfs/dbraw/zinc/86/25/24/558862524.db2.gz JEGTYAQTQDHGRI-IBGZPJMESA-N 0 0 414.431 4.868 40 0 HJABRN O=C(N[C@H]1CCCc2c1cnn2Cc1cccc(Cl)c1)c1cc(-c2ccco2)on1 ZINC000019293441 558865065 /nfs/dbraw/zinc/86/50/65/558865065.db2.gz CGWZVXZZDWTDHI-KRWDZBQOSA-N 0 0 422.872 4.640 40 0 HJABRN CC(C)C[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2ON1c1ccccc1 ZINC000013757666 558865578 /nfs/dbraw/zinc/86/55/78/558865578.db2.gz VWOCTRMVELYDAU-VABKMULXSA-N 0 0 400.478 4.564 40 0 HJABRN c1csc([C@H](Cc2ccsc2)NCc2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000019330935 558868208 /nfs/dbraw/zinc/86/82/08/558868208.db2.gz AHAJRUKAXIWTCL-UXHICEINSA-N 0 0 400.569 4.836 40 0 HJABRN NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cccc(F)c2)C1 ZINC000019348316 558874181 /nfs/dbraw/zinc/87/41/81/558874181.db2.gz YMCKLSKTFFSPBH-DEOSSOPVSA-N 0 0 422.525 4.505 40 0 HJABRN O=C(c1cc(F)cc(F)c1)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 ZINC000019405743 558884944 /nfs/dbraw/zinc/88/49/44/558884944.db2.gz OYGDOMQVEPYSTL-UHFFFAOYSA-N 0 0 420.463 4.714 40 0 HJABRN Cc1c(Cl)cccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2)n1C ZINC000013849624 558886865 /nfs/dbraw/zinc/88/68/65/558886865.db2.gz FOOSVWQUIIAQOQ-AWEZNQCLSA-N 0 0 416.934 4.648 40 0 HJABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCC2)C1 ZINC000019449105 558887775 /nfs/dbraw/zinc/88/77/75/558887775.db2.gz DXGQPBHYNMYJFA-DEOSSOPVSA-N 0 0 410.583 4.501 40 0 HJABRN C[C@@H]1CCc2onc(C(=O)N[C@H]3CCCc4c3cnn4Cc3ccccc3Cl)c2C1 ZINC000019497151 558895981 /nfs/dbraw/zinc/89/59/81/558895981.db2.gz GZPLVRMGVWWROI-KUHUBIRLSA-N 0 0 424.932 4.505 40 0 HJABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4ccccc4F)CC3)cc2N1 ZINC000019520825 558901977 /nfs/dbraw/zinc/90/19/77/558901977.db2.gz XVFARWLCJXAUKC-RDTXWAMCSA-N 0 0 424.442 4.740 40 0 HJABRN COC(=O)CC(=O)C[C@@H](O)/C=C\c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C ZINC000071624849 558906193 /nfs/dbraw/zinc/90/61/93/558906193.db2.gz GARMPDXDAZRRAW-HSNDNRACSA-N 0 0 423.484 4.925 40 0 HJABRN COC(=O)CC(=O)C[C@H](O)/C=C\c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C ZINC000071624851 558906208 /nfs/dbraw/zinc/90/62/08/558906208.db2.gz GARMPDXDAZRRAW-SYGIOELKSA-N 0 0 423.484 4.925 40 0 HJABRN CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)Cc2ccccc2F)n1 ZINC000019525658 558907017 /nfs/dbraw/zinc/90/70/17/558907017.db2.gz SNEIMWMGPVDRNG-FQEVSTJZSA-N 0 0 422.504 4.746 40 0 HJABRN Cc1noc2nc([C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)cc(C(F)(F)F)c12 ZINC000019564079 558924136 /nfs/dbraw/zinc/92/41/36/558924136.db2.gz KVUOMLPMRYHFHH-GFCCVEGCSA-N 0 0 422.407 4.681 40 0 HJABRN Cc1nc(C)c(C(=O)N2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)s1 ZINC000019569069 558928137 /nfs/dbraw/zinc/92/81/37/558928137.db2.gz ZSKPFGFJRZZOJB-UHFFFAOYSA-N 0 0 424.448 4.643 40 0 HJABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(N2CCCC2)cc1 ZINC000059001400 558931487 /nfs/dbraw/zinc/93/14/87/558931487.db2.gz MCVZDEKOEDUQES-UHFFFAOYSA-N 0 0 409.711 4.720 40 0 HJABRN COc1ccc(CN2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1OC ZINC000019574869 558932470 /nfs/dbraw/zinc/93/24/70/558932470.db2.gz HYVQMWVWXLPKAJ-ACWOFJMJSA-N 0 0 424.467 4.545 40 0 HJABRN COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1OC ZINC000059210988 558932488 /nfs/dbraw/zinc/93/24/88/558932488.db2.gz GVDPIVSZIVTNTJ-UHFFFAOYSA-N 0 0 422.319 4.781 40 0 HJABRN Cc1[nH]c2ccc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3cccc(F)c3)cc2c1C ZINC000019576809 558932924 /nfs/dbraw/zinc/93/29/24/558932924.db2.gz RAOKXPJIJVVVLZ-NOZRDPDXSA-N 0 0 419.500 4.550 40 0 HJABRN COc1ccccc1CNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 ZINC000072339496 558938718 /nfs/dbraw/zinc/93/87/18/558938718.db2.gz TZSOUBMCBCHTPU-UHFFFAOYSA-N 0 0 412.449 4.555 40 0 HJABRN COCc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000019594416 558945349 /nfs/dbraw/zinc/94/53/49/558945349.db2.gz OKGJLEDHSCENHT-INIZCTEOSA-N 0 0 417.431 4.748 40 0 HJABRN COc1ccc(Cc2cccc(C3CCN(C(=O)Cc4ccccc4)CC3)n2)cc1 ZINC000072349017 558945737 /nfs/dbraw/zinc/94/57/37/558945737.db2.gz OGYSLXRNGNNAGV-UHFFFAOYSA-N 0 0 400.522 4.630 40 0 HJABRN O=C(COc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072349068 558945933 /nfs/dbraw/zinc/94/59/33/558945933.db2.gz HZQPWWSXXKETLV-HXUWFJFHSA-N 0 0 404.485 4.597 40 0 HJABRN O=C(Cc1ccccn1)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072349501 558946412 /nfs/dbraw/zinc/94/64/12/558946412.db2.gz KGBYBTUIPHXGBQ-UHFFFAOYSA-N 0 0 405.929 4.670 40 0 HJABRN COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072349615 558946710 /nfs/dbraw/zinc/94/67/10/558946710.db2.gz DDHMESDISIOVKE-NRFANRHFSA-N 0 0 418.512 4.769 40 0 HJABRN CCOc1ccccc1-c1nnc(NC(=O)C2(c3cccc(C)c3)CCOCC2)s1 ZINC000019654787 558948028 /nfs/dbraw/zinc/94/80/28/558948028.db2.gz JDTYHOCUEBKKJX-UHFFFAOYSA-N 0 0 423.538 4.599 40 0 HJABRN CCOc1ccccc1-c1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000019659889 558951134 /nfs/dbraw/zinc/95/11/34/558951134.db2.gz YVIZKXHEJKXKBI-GOSISDBHSA-N 0 0 406.526 4.872 40 0 HJABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072354000 558951291 /nfs/dbraw/zinc/95/12/91/558951291.db2.gz MNYFKUHLWJOZMX-HXUWFJFHSA-N 0 0 422.960 4.696 40 0 HJABRN Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1 ZINC000072354009 558951295 /nfs/dbraw/zinc/95/12/95/558951295.db2.gz CJGAPXURISCWET-FQEVSTJZSA-N 0 0 420.532 4.986 40 0 HJABRN CC[C@H](c1ccc(F)cc1)n1cc(C(=O)Nc2ccc(C)cc2-c2cc(C)[nH]n2)nn1 ZINC000019660097 558951309 /nfs/dbraw/zinc/95/13/09/558951309.db2.gz QPVAJXUZTBAUSC-JOCHJYFZSA-N 0 0 418.476 4.676 40 0 HJABRN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072356468 558953349 /nfs/dbraw/zinc/95/33/49/558953349.db2.gz SUJUVRBWMCYHBC-SFHVURJKSA-N 0 0 400.457 4.784 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 ZINC000072357972 558953667 /nfs/dbraw/zinc/95/36/67/558953667.db2.gz MMWUHNDHJKJUCS-XMMPIXPASA-N 0 0 404.485 4.726 40 0 HJABRN CCOc1ccccc1-c1nnc(NC(=O)c2ccc3c(c2)ncn3C2CC2)s1 ZINC000019663237 558954299 /nfs/dbraw/zinc/95/42/99/558954299.db2.gz DXVKYOPPJFCMFW-UHFFFAOYSA-N 0 0 405.483 4.541 40 0 HJABRN COc1ccc(CC(=O)N2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000072359630 558955188 /nfs/dbraw/zinc/95/51/88/558955188.db2.gz HOMSPZNXINASCH-UHFFFAOYSA-N 0 0 421.928 4.754 40 0 HJABRN Cc1nc(C)n(CCC(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)n1 ZINC000072370038 558956396 /nfs/dbraw/zinc/95/63/96/558956396.db2.gz QZMQSTBNDPJIEV-HSZRJFAPSA-N 0 0 421.520 4.548 40 0 HJABRN Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019666698 558956435 /nfs/dbraw/zinc/95/64/35/558956435.db2.gz GTICQRUEFPDOQY-IBGZPJMESA-N 0 0 411.889 4.520 40 0 HJABRN COc1ccccc1CCC(=O)N1CCC[C@@H]1c1ccc(Cc2ccccc2)cn1 ZINC000019687943 558957554 /nfs/dbraw/zinc/95/75/54/558957554.db2.gz BASLHLXFXDETER-XMMPIXPASA-N 0 0 400.522 4.977 40 0 HJABRN Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](c4ccc(Cc5ccccc5)cn4)C3)c2c1 ZINC000019690228 558959558 /nfs/dbraw/zinc/95/95/58/558959558.db2.gz JJTWHFGKECGTET-NRFANRHFSA-N 0 0 410.521 4.877 40 0 HJABRN Cc1nn(C[C@@H](C)c2cc(NCCCN(C)c3ccccc3)nc(C)n2)c(C)c1C ZINC000072373195 558961115 /nfs/dbraw/zinc/96/11/15/558961115.db2.gz XKOSZPNEZUIPGZ-QGZVFWFLSA-N 0 0 406.578 4.649 40 0 HJABRN Cc1nn(C[C@H](C)c2cc(NCCCN(C)c3ccccc3)nc(C)n2)c(C)c1C ZINC000072373196 558961131 /nfs/dbraw/zinc/96/11/31/558961131.db2.gz XKOSZPNEZUIPGZ-KRWDZBQOSA-N 0 0 406.578 4.649 40 0 HJABRN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)C2CCCCC2)cc1 ZINC000019694399 558962979 /nfs/dbraw/zinc/96/29/79/558962979.db2.gz LGACRTZSUQKSRY-QFIPXVFZSA-N 0 0 422.573 4.852 40 0 HJABRN Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)n1 ZINC000072375298 558963824 /nfs/dbraw/zinc/96/38/24/558963824.db2.gz RJVXSBPKBZFHHC-HXUWFJFHSA-N 0 0 417.538 4.978 40 0 HJABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000072377257 558966667 /nfs/dbraw/zinc/96/66/67/558966667.db2.gz GIVYPLPJMJDAFR-OAQYLSRUSA-N 0 0 422.479 4.690 40 0 HJABRN COc1c(C)cccc1C(=O)N1CCCC[C@H]1c1nc(C)ncc1-c1ccncc1C ZINC000072390704 558971006 /nfs/dbraw/zinc/97/10/06/558971006.db2.gz UCWNAXCXXVUOPS-QFIPXVFZSA-N 0 0 416.525 4.840 40 0 HJABRN C[C@H]1Cc2cc(CN(C)C(=O)CCCc3nc4cc(Cl)ccc4n3C)ccc2O1 ZINC000019713995 558973721 /nfs/dbraw/zinc/97/37/21/558973721.db2.gz PTQQUNZOLSWPSY-HNNXBMFYSA-N 0 0 411.933 4.531 40 0 HJABRN Cn1c2ccc(NC(=O)c3cc(-n4cccn4)ccc3Cl)cc2nc1C(F)(F)F ZINC000019715193 558975889 /nfs/dbraw/zinc/97/58/89/558975889.db2.gz PFPAVQFZCSJOHJ-UHFFFAOYSA-N 0 0 419.794 4.684 40 0 HJABRN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000019718004 558980996 /nfs/dbraw/zinc/98/09/96/558980996.db2.gz BRHLKRMZAPMYJW-GOSISDBHSA-N 0 0 415.541 4.832 40 0 HJABRN Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)CC2)n1 ZINC000257233551 558992525 /nfs/dbraw/zinc/99/25/25/558992525.db2.gz GPSCZEJIANJJTP-XUTJKUGGSA-N 0 0 418.516 4.619 40 0 HJABRN Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3C[C@@H]3C)CC2)on1 ZINC000257340524 559014055 /nfs/dbraw/zinc/01/40/55/559014055.db2.gz ZGODBYAMLAUZPF-DKIMLUQUSA-N 0 0 410.562 4.784 40 0 HJABRN NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CC2CCCCC2)CC1 ZINC000257343042 559014323 /nfs/dbraw/zinc/01/43/23/559014323.db2.gz ZRFSBZGYSKVBSY-QAQDUYKDSA-N 0 0 413.587 4.756 40 0 HJABRN COCCNC(=O)CCCc1c(-c2ccccn2)[nH]c2cc(Cl)cc(Cl)c21 ZINC000016756842 559079143 /nfs/dbraw/zinc/07/91/43/559079143.db2.gz IRXKKWDJOGEAKP-UHFFFAOYSA-N 0 0 406.313 4.622 40 0 HJABRN Cc1cccc(NC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)c1 ZINC000096037665 559091461 /nfs/dbraw/zinc/09/14/61/559091461.db2.gz QPLWGGAGFZLKFX-UHFFFAOYSA-N 0 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COc1ccc(-c2csc(NC(=O)c3ncoc3-c3cccs3)n2)cc1OC ZINC000012115131 558327600 /nfs/dbraw/zinc/32/76/00/558327600.db2.gz QGSDAUUGUYFRDH-UHFFFAOYSA-N 0 0 413.480 4.796 40 0 HJABRN CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccccc1 ZINC000020048275 558328119 /nfs/dbraw/zinc/32/81/19/558328119.db2.gz SMMVINFDQBUUCX-QFIPXVFZSA-N 0 0 422.550 4.985 40 0 HJABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1 ZINC000020111747 558336073 /nfs/dbraw/zinc/33/60/73/558336073.db2.gz DLRXFUIJVCXAHP-JOCHJYFZSA-N 0 0 422.550 4.985 40 0 HJABRN COc1ccc(CCNc2ncc(-c3cc(C)no3)c(-c3cccs3)n2)cc1OC ZINC000012154273 558339534 /nfs/dbraw/zinc/33/95/34/558339534.db2.gz VQHDYOIAEBEDBA-UHFFFAOYSA-N 0 0 422.510 4.840 40 0 HJABRN CCCOc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 ZINC000020152836 558341698 /nfs/dbraw/zinc/34/16/98/558341698.db2.gz DMJQQUVYKMEJNT-UHFFFAOYSA-N 0 0 424.522 4.663 40 0 HJABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 ZINC000020152844 558341757 /nfs/dbraw/zinc/34/17/57/558341757.db2.gz HTQXHXZDLRGFLV-UHFFFAOYSA-N 0 0 424.522 4.663 40 0 HJABRN Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1C ZINC000020196908 558345376 /nfs/dbraw/zinc/34/53/76/558345376.db2.gz AADYWZLJFDXHNN-UHFFFAOYSA-N 0 0 401.919 4.970 40 0 HJABRN CC(C)C(=O)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000012220021 558355190 /nfs/dbraw/zinc/35/51/90/558355190.db2.gz JYFBEKOHCJKCSM-ZDUSSCGKSA-N 0 0 422.476 4.839 40 0 HJABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)[C@@H]3CC=CCC3)cc2n1 ZINC000012230145 558357783 /nfs/dbraw/zinc/35/77/83/558357783.db2.gz HTAFZCVTEOOLPE-RHSMWYFYSA-N 0 0 406.452 4.720 40 0 HJABRN Cc1cc(-c2cnc(SCC(=O)c3ccc(F)cc3F)nc2-c2ccco2)on1 ZINC000012233144 558358258 /nfs/dbraw/zinc/35/82/58/558358258.db2.gz DDWPWMWAYASPET-UHFFFAOYSA-N 0 0 413.405 4.953 40 0 HJABRN Cc1cc(-c2cnn(CCNC(=O)[C@@H](C)c3ccc(C)cc3)c2-c2cccs2)on1 ZINC000012258650 558363194 /nfs/dbraw/zinc/36/31/94/558363194.db2.gz MJQRZHMXBFGEHH-KRWDZBQOSA-N 0 0 420.538 4.803 40 0 HJABRN C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000020456195 558369762 /nfs/dbraw/zinc/36/97/62/558369762.db2.gz NZZAHUGTRVLXKB-ZDUSSCGKSA-N 0 0 408.951 4.500 40 0 HJABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1 ZINC000020456705 558370010 /nfs/dbraw/zinc/37/00/10/558370010.db2.gz PENGPZBBQKAMDO-OAQYLSRUSA-N 0 0 408.523 4.677 40 0 HJABRN Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000020458350 558371221 /nfs/dbraw/zinc/37/12/21/558371221.db2.gz NMGJHGJGKKQJLI-SFHVURJKSA-N 0 0 408.523 4.595 40 0 HJABRN CCOc1ccccc1CNC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000020482107 558375237 /nfs/dbraw/zinc/37/52/37/558375237.db2.gz VSYBQPYNUNNJKF-UHFFFAOYSA-N 0 0 420.347 4.841 40 0 HJABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c(C)c1 ZINC000020482513 558375527 /nfs/dbraw/zinc/37/55/27/558375527.db2.gz DTDSISRSDBHREU-LJQANCHMSA-N 0 0 422.550 4.904 40 0 HJABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2C)c1C ZINC000020483308 558375684 /nfs/dbraw/zinc/37/56/84/558375684.db2.gz CCKJSVSHDWDROI-UHFFFAOYSA-N 0 0 414.571 4.817 40 0 HJABRN Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000020503001 558381032 /nfs/dbraw/zinc/38/10/32/558381032.db2.gz NYXNEEQSIHVYFG-UHFFFAOYSA-N 0 0 414.914 4.630 40 0 HJABRN O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc2ccccc2c1 ZINC000020534095 558385606 /nfs/dbraw/zinc/38/56/06/558385606.db2.gz YLZIFCQCHPJYEB-UHFFFAOYSA-N 0 0 402.475 4.719 40 0 HJABRN Cc1nnc2sc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)nn12 ZINC000020609762 558389743 /nfs/dbraw/zinc/38/97/43/558389743.db2.gz ZZIOMXGZZBKZEG-UHFFFAOYSA-N 0 0 404.282 4.720 40 0 HJABRN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nn12 ZINC000020609760 558389784 /nfs/dbraw/zinc/38/97/84/558389784.db2.gz YVYVSFOOBRLUBY-UHFFFAOYSA-N 0 0 404.282 4.720 40 0 HJABRN CCc1nnc2sc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nn12 ZINC000020609749 558389807 /nfs/dbraw/zinc/38/98/07/558389807.db2.gz DKUFIIBFXUBYGY-UHFFFAOYSA-N 0 0 418.309 4.974 40 0 HJABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4)cc3n2)cc1Cl ZINC000020610719 558391009 /nfs/dbraw/zinc/39/10/09/558391009.db2.gz RSAPYXRMGDNKNO-UHFFFAOYSA-N 0 0 413.264 4.988 40 0 HJABRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 ZINC000020611266 558391284 /nfs/dbraw/zinc/39/12/84/558391284.db2.gz VQRZIYGZJWESTC-UHFFFAOYSA-N 0 0 416.481 4.777 40 0 HJABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1cccnc1Cl ZINC000020611408 558391482 /nfs/dbraw/zinc/39/14/82/558391482.db2.gz FRDVNZGNYKPNLS-UHFFFAOYSA-N 0 0 415.236 4.853 40 0 HJABRN COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000020611404 558391486 /nfs/dbraw/zinc/39/14/86/558391486.db2.gz HWSGEQOMAPNHBS-UHFFFAOYSA-N 0 0 423.812 4.533 40 0 HJABRN CCOc1ccc([C@H]2C(C(=O)OC(C)C)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020633400 558395222 /nfs/dbraw/zinc/39/52/22/558395222.db2.gz ZTWQMVLUYMEEKD-QFIPXVFZSA-N 0 0 421.497 4.684 40 0 HJABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1-c1ccccc1 ZINC000020633817 558395482 /nfs/dbraw/zinc/39/54/82/558395482.db2.gz VBGDRVIYJAURAX-UHFFFAOYSA-N 0 0 405.889 4.876 40 0 HJABRN CC(C)CN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2C2CCCCC2)C1=O ZINC000020636591 558396186 /nfs/dbraw/zinc/39/61/86/558396186.db2.gz IPLDCDPOZQGWDL-RUZDIDTESA-N 0 0 403.526 4.743 40 0 HJABRN CCc1nn2c(nnc(C(=O)Nc3cccc(OC)c3)c2C)c1-c1ccc(Cl)cc1 ZINC000020672675 558398551 /nfs/dbraw/zinc/39/85/51/558398551.db2.gz OKWVWRAXVZUDKO-UHFFFAOYSA-N 0 0 421.888 4.576 40 0 HJABRN CCOC(=O)C1C(C)=Nc2c(-c3ccccc3)c(C)nn2[C@H]1c1ccc(OC)cc1 ZINC000020674239 558399222 /nfs/dbraw/zinc/39/92/22/558399222.db2.gz FZIQMWOMWIRVIW-QFIPXVFZSA-N 0 0 403.482 4.719 40 0 HJABRN CCCCCN1c2nc3ccccc3n2[C@H]([C@H]2CC=CCC2)[C@@H](C(=O)OCC)C1=O ZINC000020675959 558399884 /nfs/dbraw/zinc/39/98/84/558399884.db2.gz PNIHONYEGOFQST-IOMROCGXSA-N 0 0 409.530 4.650 40 0 HJABRN Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(C)c2)C4)c1 ZINC000020795945 558414099 /nfs/dbraw/zinc/41/40/99/558414099.db2.gz NHLJAJIKANWTJX-LJQANCHMSA-N 0 0 414.534 4.946 40 0 HJABRN Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)c1 ZINC000020796060 558414145 /nfs/dbraw/zinc/41/41/45/558414145.db2.gz ZXRCNZMRXAWFNL-LJQANCHMSA-N 0 0 414.534 4.946 40 0 HJABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc(C)c1 ZINC000020802769 558415968 /nfs/dbraw/zinc/41/59/68/558415968.db2.gz XBUSCVSGKCGURT-YADHBBJMSA-N 0 0 419.525 4.506 40 0 HJABRN CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(OC)cc1 ZINC000021837129 558451724 /nfs/dbraw/zinc/45/17/24/558451724.db2.gz VXSTVOKSPRHOCG-INIZCTEOSA-N 0 0 412.711 4.757 40 0 HJABRN COC(=O)CC(=O)C[C@@H](O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C ZINC000021989036 558457093 /nfs/dbraw/zinc/45/70/93/558457093.db2.gz GARMPDXDAZRRAW-HYSAVQALSA-N 0 0 423.484 4.925 40 0 HJABRN CCn1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(=O)c2cc(C)ccc21 ZINC000022234795 558470305 /nfs/dbraw/zinc/47/03/05/558470305.db2.gz HWYIPQKXWMUNFV-CQSZACIVSA-N 0 0 413.315 4.583 40 0 HJABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cn2c3c(cccc3c1=O)CCC2 ZINC000022235306 558470317 /nfs/dbraw/zinc/47/03/17/558470317.db2.gz GZDXMXHGIKOPMH-UHFFFAOYSA-N 0 0 406.791 4.872 40 0 HJABRN CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)COc1ccc(Br)cc1Cl)C2 ZINC000013109125 558514835 /nfs/dbraw/zinc/51/48/35/558514835.db2.gz LQXUXTBFWOJPLA-GEWABHDNSA-N 0 0 400.744 4.812 40 0 HJABRN Cc1ccccc1OCc1nc2ccccc2n1C[C@H](O)COc1ccccc1C ZINC000013233566 558527409 /nfs/dbraw/zinc/52/74/09/558527409.db2.gz AYXOALMNGCVSRQ-FQEVSTJZSA-N 0 0 402.494 4.672 40 0 HJABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCc4ccccc43)c2C)cc1 ZINC000013613650 558549417 /nfs/dbraw/zinc/54/94/17/558549417.db2.gz LUWPVBUJQOHAAQ-UHFFFAOYSA-N 0 0 420.534 4.697 40 0 HJABRN O=C1C[C@H](c2ccccc2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 ZINC000013634243 558553347 /nfs/dbraw/zinc/55/33/47/558553347.db2.gz ZDGUBEAPTQOWEJ-MRXNPFEDSA-N 0 0 420.925 4.983 40 0 HJABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(I)cc1 ZINC000013708946 558575309 /nfs/dbraw/zinc/57/53/09/558575309.db2.gz JRMOOBSERZCCTC-ZDUSSCGKSA-N 0 0 417.246 4.850 40 0 HJABRN Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000013709866 558575676 /nfs/dbraw/zinc/57/56/76/558575676.db2.gz UOYINIDIPJTVPX-NSHDSACASA-N 0 0 415.658 4.659 40 0 HJABRN C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(F)cccc1Cl ZINC000013709842 558575685 /nfs/dbraw/zinc/57/56/85/558575685.db2.gz BSZOAJMJDNKKLZ-LBPRGKRZSA-N 0 0 402.318 4.949 40 0 HJABRN CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711626 558576306 /nfs/dbraw/zinc/57/63/06/558576306.db2.gz OSTUQQWBNHMYCD-QFIPXVFZSA-N 0 0 408.523 4.537 40 0 HJABRN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(Br)s1 ZINC000024560630 558601062 /nfs/dbraw/zinc/60/10/62/558601062.db2.gz AXKIILNTAJVZSG-OAHLLOKOSA-N 0 0 416.344 4.563 40 0 HJABRN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013990809 558610963 /nfs/dbraw/zinc/61/09/63/558610963.db2.gz LKJWSIJGMFQZHZ-UHFFFAOYSA-N 0 0 416.521 4.800 40 0 HJABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000013994472 558611507 /nfs/dbraw/zinc/61/15/07/558611507.db2.gz 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CBSDGQYEKRFTPU-OAHLLOKOSA-N 0 0 407.341 4.827 40 0 HJABRN CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222840637 568528064 /nfs/dbraw/zinc/52/80/64/568528064.db2.gz AQCMQESWKBWNFP-GOSISDBHSA-N 0 0 400.950 4.606 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222855094 568528545 /nfs/dbraw/zinc/52/85/45/568528545.db2.gz WNVYDBDWJBMYST-KRWDZBQOSA-N 0 0 400.950 4.523 40 0 HJABRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000222856221 568528578 /nfs/dbraw/zinc/52/85/78/568528578.db2.gz CZIIHVDBNOQPET-AUUYWEPGSA-N 0 0 403.906 4.843 40 0 HJABRN O=C(COc1ccc(Br)cc1Cl)NCc1cccc2ccccc21 ZINC000222864052 568528868 /nfs/dbraw/zinc/52/88/68/568528868.db2.gz LNPHONUFEKZSSD-UHFFFAOYSA-N 0 0 404.691 4.951 40 0 HJABRN CCOc1ccc(CNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000222879250 568529285 /nfs/dbraw/zinc/52/92/85/568529285.db2.gz BXWWBCRTELAMAP-JCMHNJIXSA-N 0 0 420.534 4.543 40 0 HJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 ZINC000222905075 568530260 /nfs/dbraw/zinc/53/02/60/568530260.db2.gz XDANYLOOMPDGNJ-HNNXBMFYSA-N 0 0 421.368 4.868 40 0 HJABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccc(Cl)cc4)cc32)cc1 ZINC000222943012 568531910 /nfs/dbraw/zinc/53/19/10/568531910.db2.gz SEZAIVAJIKLOJE-UHFFFAOYSA-N 0 0 406.869 4.804 40 0 HJABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222967252 568532556 /nfs/dbraw/zinc/53/25/56/568532556.db2.gz WIZJOQOGBNPKAK-GOSISDBHSA-N 0 0 412.549 4.609 40 0 HJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222979596 568532999 /nfs/dbraw/zinc/53/29/99/568532999.db2.gz ADIWTHIVUPDXAX-UXHICEINSA-N 0 0 411.962 4.693 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 ZINC000222998036 568533709 /nfs/dbraw/zinc/53/37/09/568533709.db2.gz CRSBXFBKTCQAFI-HXUWFJFHSA-N 0 0 412.599 4.811 40 0 HJABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000223005028 568533992 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568540830 /nfs/dbraw/zinc/54/08/30/568540830.db2.gz ARJZGFAAWCQVFJ-GOSISDBHSA-N 0 0 400.950 4.606 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)c(C)c1 ZINC000223208691 568541054 /nfs/dbraw/zinc/54/10/54/568541054.db2.gz VEAKICUHAWIOPF-QHCPKHFHSA-N 0 0 424.585 4.713 40 0 HJABRN CSc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C(=O)N1CCCCCC1 ZINC000026119579 568542367 /nfs/dbraw/zinc/54/23/67/568542367.db2.gz VORNAXWZQKBOOB-UHFFFAOYSA-N 0 0 418.584 4.534 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 ZINC000223254616 568542688 /nfs/dbraw/zinc/54/26/88/568542688.db2.gz CQVNQMRQLDWUAZ-QHCPKHFHSA-N 0 0 424.585 4.876 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1C ZINC000223267827 568543378 /nfs/dbraw/zinc/54/33/78/568543378.db2.gz JYBGHIJEYIBIMA-QFIPXVFZSA-N 0 0 424.585 4.713 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000223283464 568544099 /nfs/dbraw/zinc/54/40/99/568544099.db2.gz NEXZSQGSAJPZMC-HXUWFJFHSA-N 0 0 421.368 4.706 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223297863 568544361 /nfs/dbraw/zinc/54/43/61/568544361.db2.gz GWMHFXUGHRVJBY-QHCPKHFHSA-N 0 0 408.586 4.958 40 0 HJABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCC1 ZINC000223305571 568544730 /nfs/dbraw/zinc/54/47/30/568544730.db2.gz YOZYDRGELFCJFP-WWPVKYPJSA-N 0 0 424.614 4.767 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223327786 568545385 /nfs/dbraw/zinc/54/53/85/568545385.db2.gz SFEDLHCDSZKIKV-FQEVSTJZSA-N 0 0 421.368 4.706 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccco1 ZINC000223331487 568545457 /nfs/dbraw/zinc/54/54/57/568545457.db2.gz KAWGUNJNCRBCFQ-HZPDHXFCSA-N 0 0 420.357 4.671 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1Cc1ccco1 ZINC000223331691 568545470 /nfs/dbraw/zinc/54/54/70/568545470.db2.gz RSNGPVPCMOMIAG-HZPDHXFCSA-N 0 0 420.357 4.671 40 0 HJABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1C(C)C ZINC000223336132 568545584 /nfs/dbraw/zinc/54/55/84/568545584.db2.gz KUTNOVBTZAPCJP-GOSISDBHSA-N 0 0 408.542 4.740 40 0 HJABRN CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223354992 568546148 /nfs/dbraw/zinc/54/61/48/568546148.db2.gz IIZWOIKSDXQUKE-VWLOTQADSA-N 0 0 400.522 4.525 40 0 HJABRN Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccco1 ZINC000223355767 568546175 /nfs/dbraw/zinc/54/61/75/568546175.db2.gz HNDBXFJFGSKZDV-FGZHOGPDSA-N 0 0 418.497 4.777 40 0 HJABRN Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223356396 568546355 /nfs/dbraw/zinc/54/63/55/568546355.db2.gz KBVGLQMBPINUDM-FCHUYYIVSA-N 0 0 418.497 4.777 40 0 HJABRN CC[C@H](C)NC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccccc3)ccc2s1 ZINC000223393225 568547304 /nfs/dbraw/zinc/54/73/04/568547304.db2.gz BTRYNLNKSPLEEO-HNNXBMFYSA-N 0 0 416.568 4.645 40 0 HJABRN COC(=O)c1ccc(NCc2ccc(C)cc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223410592 568547901 /nfs/dbraw/zinc/54/79/01/568547901.db2.gz MLTBNRDJRXSJES-UHFFFAOYSA-N 0 0 424.522 4.503 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl ZINC000223447534 568549020 /nfs/dbraw/zinc/54/90/20/568549020.db2.gz AAOSEMZBBRLVJD-HXUWFJFHSA-N 0 0 418.940 4.744 40 0 HJABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000223472182 568549882 /nfs/dbraw/zinc/54/98/82/568549882.db2.gz VLPWKGBQXXXQAV-HSZRJFAPSA-N 0 0 424.903 4.885 40 0 HJABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccccn1 ZINC000223545025 568551408 /nfs/dbraw/zinc/55/14/08/568551408.db2.gz DDLSSFSFAWCPLV-DHIUTWEWSA-N 0 0 417.582 4.956 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccccn1 ZINC000223557742 568551780 /nfs/dbraw/zinc/55/17/80/568551780.db2.gz CRPYNZXINCRYPS-VXKWHMMOSA-N 0 0 403.555 4.566 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000223562476 568551809 /nfs/dbraw/zinc/55/18/09/568551809.db2.gz HYVCJAYKWMSTNK-QFIPXVFZSA-N 0 0 412.599 4.811 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223596617 568552864 /nfs/dbraw/zinc/55/28/64/568552864.db2.gz AKKDIFPSFWHVBH-DEOSSOPVSA-N 0 0 424.585 4.913 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl ZINC000223606839 568553122 /nfs/dbraw/zinc/55/31/22/568553122.db2.gz SLCKCEKARIDISF-NRFANRHFSA-N 0 0 418.940 4.745 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C)cc1 ZINC000223612952 568553285 /nfs/dbraw/zinc/55/32/85/568553285.db2.gz OXKDHJNYJLLRPM-QHCPKHFHSA-N 0 0 424.585 4.658 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 ZINC000223639801 568554464 /nfs/dbraw/zinc/55/44/64/568554464.db2.gz NKTLZOMQBOCDPG-XMMPIXPASA-N 0 0 424.585 4.714 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 ZINC000223654804 568555134 /nfs/dbraw/zinc/55/51/34/568555134.db2.gz KNUHBNKVPQBXEV-XMMPIXPASA-N 0 0 408.586 4.878 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223685280 568556191 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CC(C)Oc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000408704521 557729842 /nfs/dbraw/zinc/72/98/42/557729842.db2.gz OWOBCSNRDXTYOZ-UHFFFAOYSA-N 0 0 424.522 4.555 40 0 HJABRN CC(C)(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704496 557729895 /nfs/dbraw/zinc/72/98/95/557729895.db2.gz ONJBFNAHTVQHKP-FQEVSTJZSA-N 0 0 402.947 4.643 40 0 HJABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCC(C)C)cc(C)c1Cl ZINC000408705725 557731641 /nfs/dbraw/zinc/73/16/41/557731641.db2.gz MBHYJRVRLCTTTD-INIZCTEOSA-N 0 0 402.922 4.749 40 0 HJABRN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408705980 557732086 /nfs/dbraw/zinc/73/20/86/557732086.db2.gz RZXZFUKESXJYML-UHFFFAOYSA-N 0 0 410.495 4.517 40 0 HJABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3N3CCC(C)CC3)CC2=O)cc1C ZINC000408707899 557734296 /nfs/dbraw/zinc/73/42/96/557734296.db2.gz MLPVKFVWOBQYQZ-HXUWFJFHSA-N 0 0 405.542 4.531 40 0 HJABRN O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(OCc2ccccc2)cc1 ZINC000007752888 557759196 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Cc1ncccc1-c1cc2cccnc2n1CCCNC(=O)CCc1ccccc1F ZINC000012222810 558356580 /nfs/dbraw/zinc/35/65/80/558356580.db2.gz FHVGUDGKXLIHTB-UHFFFAOYSA-N 0 0 416.500 4.685 40 0 HJABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@@H]3CC=CCC3)cc2n1 ZINC000012230142 558357815 /nfs/dbraw/zinc/35/78/15/558357815.db2.gz HTAFZCVTEOOLPE-PBHICJAKSA-N 0 0 406.452 4.720 40 0 HJABRN O=C(c1ccc(-c2ccccc2)[nH]1)N1CCC[C@H]([C@H]2CC(=O)c3ccccc3O2)C1 ZINC000012237005 558358950 /nfs/dbraw/zinc/35/89/50/558358950.db2.gz HSSJFMDOEFWHTF-MHECFPHRSA-N 0 0 400.478 4.568 40 0 HJABRN Cc1cc(C(=O)N2CCC[C@H](c3cc4nc(C)cc(C(F)(F)F)n4n3)C2)sc1C ZINC000012257763 558362995 /nfs/dbraw/zinc/36/29/95/558362995.db2.gz GFJGDZJKNFZIIT-AWEZNQCLSA-N 0 0 422.476 4.755 40 0 HJABRN COc1ccc(S[C@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc1OC ZINC000020451647 558366099 /nfs/dbraw/zinc/36/60/99/558366099.db2.gz ZBJBXDRUVKNFSV-CYBMUJFWSA-N 0 0 411.976 4.746 40 0 HJABRN COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000020459353 558371620 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CCOc1cc(OCC)cc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 ZINC000020610348 558390510 /nfs/dbraw/zinc/39/05/10/558390510.db2.gz KGVADRXBRAMEOP-UHFFFAOYSA-N 0 0 420.444 4.609 40 0 HJABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 ZINC000020611473 558391511 /nfs/dbraw/zinc/39/15/11/558391511.db2.gz VNHRIRUWCSIYJD-UHFFFAOYSA-N 0 0 417.347 4.836 40 0 HJABRN CCCCOc1ccc([C@H]2C(C(=O)OC)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020633495 558395234 /nfs/dbraw/zinc/39/52/34/558395234.db2.gz HRAXPZJSFBELRG-QFIPXVFZSA-N 0 0 421.497 4.686 40 0 HJABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000021578035 558441974 /nfs/dbraw/zinc/44/19/74/558441974.db2.gz NNQVBSGEUFFRDT-UHFFFAOYSA-N 0 0 420.340 4.694 40 0 HJABRN CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 ZINC000021596588 558442655 /nfs/dbraw/zinc/44/26/55/558442655.db2.gz STLIUZLSQSMIOH-UHFFFAOYSA-N 0 0 408.889 4.974 40 0 HJABRN COc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000021959595 558456716 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416.550 4.991 40 0 HJABRN Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4nccc5ccccc54)o3)C2)s1 ZINC000019216913 558850627 /nfs/dbraw/zinc/85/06/27/558850627.db2.gz JDXAKCMMNIJZBX-INIZCTEOSA-N 0 0 404.495 4.675 40 0 HJABRN Cc1cccc(CC(=O)N2CCC(c3ncc(-c4ccncc4)c(C(C)C)n3)CC2)c1 ZINC000019234650 558854039 /nfs/dbraw/zinc/85/40/39/558854039.db2.gz OKNMJMDARJPEBX-UHFFFAOYSA-N 0 0 414.553 4.919 40 0 HJABRN Cc1cc(-c2cnc(C3CCN(C(=O)Cc4ccccc4C)CC3)nc2C(C)C)on1 ZINC000019237042 558856251 /nfs/dbraw/zinc/85/62/51/558856251.db2.gz ROPPBOIFSHPCJQ-UHFFFAOYSA-N 0 0 418.541 4.821 40 0 HJABRN O=C(C1CC1)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3cccnc3)n2)C1 ZINC000019294182 558865638 /nfs/dbraw/zinc/86/56/38/558865638.db2.gz AZFOHRQXCMCZJW-SFHVURJKSA-N 0 0 417.488 4.537 40 0 HJABRN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 ZINC000019333232 558868930 /nfs/dbraw/zinc/86/89/30/558868930.db2.gz PSAVDZJZZTVEHN-CQSZACIVSA-N 0 0 405.395 4.670 40 0 HJABRN O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 ZINC000019335706 558869906 /nfs/dbraw/zinc/86/99/06/558869906.db2.gz SMOLSLPZOBWFKP-ZDUSSCGKSA-N 0 0 421.394 4.506 40 0 HJABRN O=C(CCc1nc(-c2ccccc2Cl)no1)N(Cc1ccccn1)C1CCCC1 ZINC000019368449 558877290 /nfs/dbraw/zinc/87/72/90/558877290.db2.gz OKTJJVPXAOTIRR-UHFFFAOYSA-N 0 0 410.905 4.689 40 0 HJABRN O=C(c1ccccc1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 ZINC000019368665 558877510 /nfs/dbraw/zinc/87/75/10/558877510.db2.gz JFZSBJATOBSGAR-NRFANRHFSA-N 0 0 421.504 4.912 40 0 HJABRN O=C(c1cccnc1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373249 558880346 /nfs/dbraw/zinc/88/03/46/558880346.db2.gz BBIXGEDBDZYDCM-QFIPXVFZSA-N 0 0 422.492 4.655 40 0 HJABRN O=C(c1ccco1)N1CCC(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000019373973 558880958 /nfs/dbraw/zinc/88/09/58/558880958.db2.gz CZVDJXJELOCZGH-UHFFFAOYSA-N 0 0 410.477 4.818 40 0 HJABRN O=C(c1cccs1)N(Cc1cc(-c2ccccc2)cn2nnnc12)C1CCCCC1 ZINC000019374011 558880969 /nfs/dbraw/zinc/88/09/69/558880969.db2.gz UTVVEYWDKVIQNA-UHFFFAOYSA-N 0 0 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CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013757643 558865413 /nfs/dbraw/zinc/86/54/13/558865413.db2.gz XMMKDNVRLXROGB-XXMUNEJQSA-N 0 0 410.489 4.721 40 0 HJABRN O=C(C1CC1)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019294041 558865678 /nfs/dbraw/zinc/86/56/78/558865678.db2.gz PLNOMFDEEVLTFL-NRFANRHFSA-N 0 0 417.488 4.885 40 0 HJABRN CC(C)O[C@H]1c2ncc(-c3ccccc3)cc2Sc2nc(-c3cccnc3)nn21 ZINC000019450388 558888804 /nfs/dbraw/zinc/88/88/04/558888804.db2.gz WBSAAHKYRJIBID-NRFANRHFSA-N 0 0 401.495 4.839 40 0 HJABRN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000019452066 558889935 /nfs/dbraw/zinc/88/99/35/558889935.db2.gz IWPONJJEFCFEEL-AWEZNQCLSA-N 0 0 418.419 4.780 40 0 HJABRN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N(Cc1ccccn1)C1CCCC1 ZINC000019454708 558891499 /nfs/dbraw/zinc/89/14/99/558891499.db2.gz QAFSKUOAKQDLBP-UHFFFAOYSA-N 0 0 403.530 4.870 40 0 HJABRN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1ccccn1)c1nc2ccccc2s1 ZINC000019459874 558893274 /nfs/dbraw/zinc/89/32/74/558893274.db2.gz VEBFEVNPYLMJHH-OAHLLOKOSA-N 0 0 413.506 4.585 40 0 HJABRN Cc1ccc([C@@H](F)[S@](=O)(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000071256993 558896213 /nfs/dbraw/zinc/89/62/13/558896213.db2.gz QYIORVVFWWAAOH-FNZWTVRRSA-N 0 0 403.500 4.879 40 0 HJABRN CCC(=O)N1CCC[C@H](c2cc(Oc3cccc(F)c3)nc(-c3ccncc3)n2)C1 ZINC000019498728 558897041 /nfs/dbraw/zinc/89/70/41/558897041.db2.gz MCSLWCXUVNLSFM-KRWDZBQOSA-N 0 0 406.461 4.586 40 0 HJABRN CCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019498831 558897044 /nfs/dbraw/zinc/89/70/44/558897044.db2.gz UTUOQKBGPDNJKK-HXUWFJFHSA-N 0 0 405.477 4.885 40 0 HJABRN CCCC(=O)N1CCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CC1 ZINC000019501165 558899051 /nfs/dbraw/zinc/89/90/51/558899051.db2.gz FTEBAEXOKAQVJW-UHFFFAOYSA-N 0 0 419.504 4.927 40 0 HJABRN CCCC(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019501331 558899268 /nfs/dbraw/zinc/89/92/68/558899268.db2.gz LSYMEADEACKFEA-FQEVSTJZSA-N 0 0 405.477 4.885 40 0 HJABRN CCCn1c(C)cc2cc(NC(=O)c3noc(C)c3Cn3nc(C)cc3C)ccc21 ZINC000019525989 558907345 /nfs/dbraw/zinc/90/73/45/558907345.db2.gz GCXWIVSKVRNEBU-UHFFFAOYSA-N 0 0 405.502 4.770 40 0 HJABRN CCN(CC)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C(C)C)C1 ZINC000019526149 558907444 /nfs/dbraw/zinc/90/74/44/558907444.db2.gz VSBYHQNGVXELAL-DEOSSOPVSA-N 0 0 412.599 4.701 40 0 HJABRN CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C2CCC2)C1 ZINC000019528441 558909657 /nfs/dbraw/zinc/90/96/57/558909657.db2.gz FOXFOEBPHVRGDY-DEOSSOPVSA-N 0 0 410.583 4.503 40 0 HJABRN COc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nc(C)c(C)s1)OCO2 ZINC000019559858 558921128 /nfs/dbraw/zinc/92/11/28/558921128.db2.gz QHIPJNQBTOLLHI-INIZCTEOSA-N 0 0 402.541 4.632 40 0 HJABRN COc1ccc2c(c1)C[C@H](C(=O)N1CCc3sccc3[C@@H]1c1cccs1)CO2 ZINC000019562411 558922973 /nfs/dbraw/zinc/92/29/73/558922973.db2.gz DLWDWVGFWSGDAG-YCRPNKLZSA-N 0 0 411.548 4.544 40 0 HJABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)s1 ZINC000019564023 558924049 /nfs/dbraw/zinc/92/40/49/558924049.db2.gz KFNLKSIUWLCNHW-LBPRGKRZSA-N 0 0 424.448 4.643 40 0 HJABRN Cc1noc2nc([C@@H]3CCCN(C(=O)Cc4cc(F)ccc4F)C3)cc(C(F)F)c12 ZINC000019563935 558924081 /nfs/dbraw/zinc/92/40/81/558924081.db2.gz DELDLEPHCYUZMF-GFCCVEGCSA-N 0 0 421.394 4.696 40 0 HJABRN Cc1noc2nc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc(C(F)F)c12 ZINC000019564780 558924893 /nfs/dbraw/zinc/92/48/93/558924893.db2.gz VDXHCEBIGVPYCT-UHFFFAOYSA-N 0 0 403.404 4.557 40 0 HJABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC000019568721 558927860 /nfs/dbraw/zinc/92/78/60/558927860.db2.gz XYHPCJBTSKKWDN-AWEZNQCLSA-N 0 0 421.394 4.638 40 0 HJABRN COc1ccccc1CC(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 ZINC000019569505 558928535 /nfs/dbraw/zinc/92/85/35/558928535.db2.gz FVJHLJMYMLUXFL-UHFFFAOYSA-N 0 0 417.431 4.539 40 0 HJABRN Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3nc(C)cc(-c4cccs4)n3)C2)n1 ZINC000019574063 558931826 /nfs/dbraw/zinc/93/18/26/558931826.db2.gz OMLJLFVEVBVQFL-IBGZPJMESA-N 0 0 423.586 4.513 40 0 HJABRN Nc1cc(Cl)c(NC(=O)c2cccc(Br)c2)cc1N1CCCCC1 ZINC000072229284 558931932 /nfs/dbraw/zinc/93/19/32/558931932.db2.gz BDBMHBBVINHGDU-UHFFFAOYSA-N 0 0 408.727 4.927 40 0 HJABRN Cc1[nH]c2c(cccc2C(=O)N2CCC[C@]3(CCC(=O)N3)[C@H]2c2ccc(F)cc2)c1C ZINC000019576899 558933000 /nfs/dbraw/zinc/93/30/00/558933000.db2.gz FVKWWOWTXLJSAG-NOZRDPDXSA-N 0 0 419.500 4.550 40 0 HJABRN Cc1cc(-c2cc(=O)n(Cc3ccc(F)cc3Cl)nc2-c2cccs2)on1 ZINC000072337063 558937604 /nfs/dbraw/zinc/93/76/04/558937604.db2.gz LBGJKPMYRLBSTO-UHFFFAOYSA-N 0 0 401.850 4.776 40 0 HJABRN C/C(Cl)=C/CNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000072340128 558938935 /nfs/dbraw/zinc/93/89/35/558938935.db2.gz XPWVRBXPKVNCKH-SXGWCWSVSA-N 0 0 423.923 4.791 40 0 HJABRN CC(C)(C)c1cc2nc(C3CCN(C(=O)c4ccco4)CC3)cc(C(F)(F)F)n2n1 ZINC000072341085 558939525 /nfs/dbraw/zinc/93/95/25/558939525.db2.gz PDCMLBCBKIEPDL-UHFFFAOYSA-N 0 0 420.435 4.658 40 0 HJABRN COCc1ccc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc1 ZINC000019594393 558945365 /nfs/dbraw/zinc/94/53/65/558945365.db2.gz DMEAYLFBUHKWDE-UHFFFAOYSA-N 0 0 417.431 4.748 40 0 HJABRN O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072349030 558945692 /nfs/dbraw/zinc/94/56/92/558945692.db2.gz YTISWMGEODEGRR-QHCPKHFHSA-N 0 0 400.522 4.580 40 0 HJABRN O=C(Cc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 ZINC000072349600 558946604 /nfs/dbraw/zinc/94/66/04/558946604.db2.gz FDRFARGBUXABEF-UHFFFAOYSA-N 0 0 406.476 4.899 40 0 HJABRN O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072349791 558946722 /nfs/dbraw/zinc/94/67/22/558946722.db2.gz LKOTWNAMCFETHY-OAHLLOKOSA-N 0 0 400.404 4.510 40 0 HJABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc(Nc2ncccn2)cn1 ZINC000072353154 558949838 /nfs/dbraw/zinc/94/98/38/558949838.db2.gz FLMNXRVSZHIAEH-HXUWFJFHSA-N 0 0 407.905 4.565 40 0 HJABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1ccc(Nc2ncccn2)cn1 ZINC000072353155 558950023 /nfs/dbraw/zinc/95/00/23/558950023.db2.gz FLMNXRVSZHIAEH-FQEVSTJZSA-N 0 0 407.905 4.565 40 0 HJABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)Cn3ccnc3C(C)C)C2)n1 ZINC000072354200 558951575 /nfs/dbraw/zinc/95/15/75/558951575.db2.gz QEDNORIJDFIUSB-HSZRJFAPSA-N 0 0 416.569 4.707 40 0 HJABRN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000072354678 558951773 /nfs/dbraw/zinc/95/17/73/558951773.db2.gz MSTMQIKJPDKISQ-SFHVURJKSA-N 0 0 418.463 4.988 40 0 HJABRN COc1ccc(-c2cc(C(=O)N(Cc3ccccc3)[C@H]3CCOC(C)(C)C3)on2)cc1 ZINC000019660494 558951826 /nfs/dbraw/zinc/95/18/26/558951826.db2.gz QBONGDHXXAEPKE-FQEVSTJZSA-N 0 0 420.509 4.950 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cc1 ZINC000072356144 558952998 /nfs/dbraw/zinc/95/29/98/558952998.db2.gz JQGJJOLFRGWVAY-DEOSSOPVSA-N 0 0 414.549 4.938 40 0 HJABRN COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072357991 558953726 /nfs/dbraw/zinc/95/37/26/558953726.db2.gz XLHRDXLWOZGZIC-HSZRJFAPSA-N 0 0 404.485 4.726 40 0 HJABRN CN(C)c1ccc(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000072361047 558955962 /nfs/dbraw/zinc/95/59/62/558955962.db2.gz FWFZRGMOYLMJQE-FQEVSTJZSA-N 0 0 403.501 4.974 40 0 HJABRN Cc1nc(CC(=O)N2CCC[C@@H]2c2cc(Cc3ccc(F)cc3)cc(C)n2)cs1 ZINC000019687002 558957146 /nfs/dbraw/zinc/95/71/46/558957146.db2.gz OBAADKVTTZVGNX-JOCHJYFZSA-N 0 0 409.530 4.791 40 0 HJABRN COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)c1 ZINC000019688161 558957611 /nfs/dbraw/zinc/95/76/11/558957611.db2.gz DFIZLEQBRZMBNX-HSZRJFAPSA-N 0 0 400.522 4.630 40 0 HJABRN O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 ZINC000019688557 558958152 /nfs/dbraw/zinc/95/81/52/558958152.db2.gz JBKNYGDMBRXFGH-QHCPKHFHSA-N 0 0 408.448 4.693 40 0 HJABRN CNc1cc(C(=O)N2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)ccn1 ZINC000019690375 558959819 /nfs/dbraw/zinc/95/98/19/558959819.db2.gz CXNVSYYJXKHHJX-HXUWFJFHSA-N 0 0 420.944 4.782 40 0 HJABRN COc1cccc(C(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 ZINC000072372466 558959944 /nfs/dbraw/zinc/95/99/44/558959944.db2.gz HUNSMGBVVXBBNB-QFIPXVFZSA-N 0 0 417.513 4.526 40 0 HJABRN Cc1ccn(CCC(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)n1 ZINC000019690497 558959993 /nfs/dbraw/zinc/95/99/93/558959993.db2.gz PEETZTBESLLNSZ-UHFFFAOYSA-N 0 0 422.960 4.627 40 0 HJABRN Cc1nc2ccccn2c1CC(=O)N1CCC(c2ccc(Cc3ccccc3)cn2)CC1 ZINC000019690466 558960083 /nfs/dbraw/zinc/96/00/83/558960083.db2.gz SUNVCZRBBNOESG-UHFFFAOYSA-N 0 0 424.548 4.577 40 0 HJABRN COc1ccc(-c2cnc(CCC(=O)Nc3cccc(Br)c3)o2)cc1 ZINC000063887751 558961040 /nfs/dbraw/zinc/96/10/40/558961040.db2.gz RXQFMUOFDQCBGM-UHFFFAOYSA-N 0 0 401.260 4.684 40 0 HJABRN Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 ZINC000019691865 558961242 /nfs/dbraw/zinc/96/12/42/558961242.db2.gz DHFHTCBPLTWOEX-QFIPXVFZSA-N 0 0 412.961 4.909 40 0 HJABRN Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 ZINC000072374709 558962545 /nfs/dbraw/zinc/96/25/45/558962545.db2.gz AGSMNQVCXVMOBE-LJQANCHMSA-N 0 0 420.944 4.636 40 0 HJABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)n1 ZINC000072374779 558962722 /nfs/dbraw/zinc/96/27/22/558962722.db2.gz WUMPQOXRLBQRRI-HSZRJFAPSA-N 0 0 424.548 4.737 40 0 HJABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)c2ccccn2)n1 ZINC000019694479 558962875 /nfs/dbraw/zinc/96/28/75/558962875.db2.gz CVEBWFKFRTUMJC-FQEVSTJZSA-N 0 0 421.932 4.625 40 0 HJABRN CC1(C)Cc2cc(CN3CCC[C@H]3c3cncc(Nc4ccccn4)n3)ccc2O1 ZINC000072376398 558965608 /nfs/dbraw/zinc/96/56/08/558965608.db2.gz WBYJBXVYAPNIRI-FQEVSTJZSA-N 0 0 401.514 4.666 40 0 HJABRN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 ZINC000072377063 558966270 /nfs/dbraw/zinc/96/62/70/558966270.db2.gz JBZLCEGMNJPODM-SFHVURJKSA-N 0 0 418.463 4.988 40 0 HJABRN O=C(CCOc1ccccc1)N1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000072380409 558968500 /nfs/dbraw/zinc/96/85/00/558968500.db2.gz BNVROFNOTAHDHZ-SFHVURJKSA-N 0 0 409.917 4.905 40 0 HJABRN Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)C4CCCCC4)C3)nc(C)n2)s1 ZINC000072382295 558968951 /nfs/dbraw/zinc/96/89/51/558968951.db2.gz QRGQXJFEZUDVAB-QGZVFWFLSA-N 0 0 413.591 4.655 40 0 HJABRN CCCc1ncc(-c2ccncc2)c([C@@H]2CCCN2C(=O)c2sc(C)nc2C)n1 ZINC000072390633 558970832 /nfs/dbraw/zinc/97/08/32/558970832.db2.gz NACYXGLIXKSNMJ-SFHVURJKSA-N 0 0 407.543 4.542 40 0 HJABRN CC(C)C(=O)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 ZINC000072391347 558971354 /nfs/dbraw/zinc/97/13/54/558971354.db2.gz SZZPMXINWGCCES-OAQYLSRUSA-N 0 0 401.514 4.992 40 0 HJABRN Cc1cc(-c2cc(C)ccc2NC(=O)c2cnn3c2nc(C2CC2)cc3C(F)F)n[nH]1 ZINC000019715318 558976075 /nfs/dbraw/zinc/97/60/75/558976075.db2.gz ZGTJSGLBSUIXCA-UHFFFAOYSA-N 0 0 422.439 4.804 40 0 HJABRN O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 ZINC000002734174 558999148 /nfs/dbraw/zinc/99/91/48/558999148.db2.gz NUSZSLBBDPAIMR-UHFFFAOYSA-N 0 0 414.630 4.922 40 0 HJABRN Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 ZINC000257303746 559010981 /nfs/dbraw/zinc/01/09/81/559010981.db2.gz SINDTQNPLOTMDP-QAQDUYKDSA-N 0 0 416.481 4.890 40 0 HJABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc43)o2)CC1)c1ccccc1 ZINC000257313248 559011659 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YSJGEFQYCDKBLH-UHFFFAOYSA-N 0 0 416.298 5.394 40 0 HJABRN CC[C@H](C)Nc1nc(Nc2ccc(Br)cc2C)cc(C(F)(F)F)n1 ZINC000328962526 571309634 /nfs/dbraw/zinc/30/96/34/571309634.db2.gz BILXSDYBAXNTFZ-JTQLQIEISA-N 0 0 403.246 5.520 40 0 HJABRN CC1=C[C@@H](CNC(=O)C(C)(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442783 291274248 /nfs/dbraw/zinc/27/42/48/291274248.db2.gz ZLSJSAYWMLLLIL-UFYCRDLUSA-N 0 0 410.562 4.691 40 0 biogenic,in-vitro HJABRN Cc1cc2nc(CO[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)C[C@H]3F)[nH]c2cc1C ZINC000096112347 291279560 /nfs/dbraw/zinc/27/95/60/291279560.db2.gz KKMAPTMKVOPAPC-XLIONFOSSA-N 0 0 421.438 4.938 40 0 biogenic,in-vitro HJABRN Fc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3cccs3)n2)cc1Cl ZINC000015707282 291280042 /nfs/dbraw/zinc/28/00/42/291280042.db2.gz HSADKYABIINPJY-KRWDZBQOSA-N 0 0 415.881 4.613 40 0 biogenic,in-vitro HJABRN O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1)C1CC1 ZINC000012237330 132357515 /nfs/dbraw/zinc/35/75/15/132357515.db2.gz HVZPJTVRJOFALZ-UHFFFAOYSA-N 0 0 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CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1Cl ZINC000044884551 521506855 /nfs/dbraw/zinc/50/68/55/521506855.db2.gz AFMPZKDYRWLUBZ-GFCCVEGCSA-N 0 0 423.918 4.653 40 0 HJABRN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C)CCCC2 ZINC000019931913 521783356 /nfs/dbraw/zinc/78/33/56/521783356.db2.gz VHSFZNMFRRBHOA-OAHLLOKOSA-N 0 0 401.528 4.745 40 0 HJABRN COC(=O)c1ccc(Cl)c(NC(=S)NCCCSc2ccc(OC)cc2)c1 ZINC000225803384 522058954 /nfs/dbraw/zinc/05/89/54/522058954.db2.gz BTYHLDZBBUOGLX-UHFFFAOYSA-N 0 0 424.975 4.604 40 0 HJABRN CC[C@H](NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000020049777 522531409 /nfs/dbraw/zinc/53/14/09/522531409.db2.gz IDINGCGUHHTDTR-QHCPKHFHSA-N 0 0 422.550 4.534 40 0 HJABRN CCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040388368 522716696 /nfs/dbraw/zinc/71/66/96/522716696.db2.gz CGVGSAQYWHRPKT-JTDSTZFVSA-N 0 0 401.514 4.666 40 0 HJABRN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 ZINC000020151621 523888676 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Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(Br)cc2F)n1 ZINC000225815912 525018840 /nfs/dbraw/zinc/01/88/40/525018840.db2.gz NYMJGEIEIMRIPU-UHFFFAOYSA-N 0 0 404.239 4.518 40 0 HJABRN C[C@@H](NC(=O)N1CCOC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1)c1ccccc1 ZINC000072322184 525174667 /nfs/dbraw/zinc/17/46/67/525174667.db2.gz HSMLHXYOFNLGDG-QRWLVFNGSA-N 0 0 410.905 4.574 40 0 biogenic,in-vitro HJABRN COc1ccc([C@H](CC(C)C)NC(=O)CN2c3cccc4cccc(c34)C2=O)cc1 ZINC000044902559 525348146 /nfs/dbraw/zinc/34/81/46/525348146.db2.gz DOBXWJUQYCNEEU-NRFANRHFSA-N 0 0 402.494 4.712 40 0 HJABRN Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1F ZINC000045890987 525524141 /nfs/dbraw/zinc/52/41/41/525524141.db2.gz JXYFFNMDJXNBFG-UHFFFAOYSA-N 0 0 416.088 4.802 40 0 HJABRN C[C@@H]1[C@@H](C)CCC[C@@H]1n1ccc2c(nnc3c(-c4ccc(Cl)cc4)cnn32)c1=O ZINC000040392415 525647299 /nfs/dbraw/zinc/64/72/99/525647299.db2.gz HLOYQJFECJUBSL-IYOUNJFTSA-N 0 0 407.905 4.757 40 0 HJABRN Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000044933489 525691481 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CTGAGFPEVKQGLB-UHFFFAOYSA-N 0 0 407.539 4.824 40 0 HJABRN COc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000036454221 558799830 /nfs/dbraw/zinc/79/98/30/558799830.db2.gz GNGRQUTWTDBJEU-UHFFFAOYSA-N 0 0 407.341 4.530 40 0 HJABRN Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C ZINC000016789170 558807038 /nfs/dbraw/zinc/80/70/38/558807038.db2.gz NMERFWSMFYPYKT-UHFFFAOYSA-N 0 0 407.326 4.828 40 0 HJABRN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038834524 558817628 /nfs/dbraw/zinc/81/76/28/558817628.db2.gz VSJVWLPEHWKBTE-HNNXBMFYSA-N 0 0 421.324 4.631 40 0 HJABRN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038834528 558817668 /nfs/dbraw/zinc/81/76/68/558817668.db2.gz RWOUFMFADGDFHG-AWEZNQCLSA-N 0 0 421.324 4.631 40 0 HJABRN COc1ccc(OC)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000038834779 558817839 /nfs/dbraw/zinc/81/78/39/558817839.db2.gz XQQRHVXWEXUYDJ-UHFFFAOYSA-N 0 0 423.340 4.861 40 0 HJABRN Cc1ccccc1NC(=O)C[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000039964030 558823054 /nfs/dbraw/zinc/82/30/54/558823054.db2.gz AMUFWIREXPBPSU-HSZRJFAPSA-N 0 0 424.504 4.504 40 0 HJABRN CCOC(=O)C(=CNc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 ZINC000017126197 558823263 /nfs/dbraw/zinc/82/32/63/558823263.db2.gz BBLFDWITKFUTNG-QJOMJCCJSA-N 0 0 416.477 4.512 40 0 HJABRN COc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000040114263 558824552 /nfs/dbraw/zinc/82/45/52/558824552.db2.gz FYDJRLWODODOKF-UHFFFAOYSA-N 0 0 420.940 4.896 40 0 HJABRN O=C(NC(=O)[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000017427043 558827455 /nfs/dbraw/zinc/82/74/55/558827455.db2.gz JCPOLBUTTMYORE-LJQANCHMSA-N 0 0 412.272 4.917 40 0 HJABRN CC(C)(C)C(=O)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000019080984 558839266 /nfs/dbraw/zinc/83/92/66/558839266.db2.gz VBXOPGQQZSXPCS-UHFFFAOYSA-N 0 0 417.488 4.505 40 0 HJABRN CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)C3CCCCC3)C1)N2 ZINC000019083967 558840687 /nfs/dbraw/zinc/84/06/87/558840687.db2.gz KKAGHPSJJKFTMX-OKZBNKHCSA-N 0 0 422.564 4.990 40 0 HJABRN CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000019084510 558840840 /nfs/dbraw/zinc/84/08/40/558840840.db2.gz SSFLTZDTOKNRGQ-SFHVURJKSA-N 0 0 411.527 4.838 40 0 HJABRN CC(C)(C(=O)N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1)c1ccc(F)cc1 ZINC000019085054 558841157 /nfs/dbraw/zinc/84/11/57/558841157.db2.gz SCVIVCWFFOVHLZ-NRFANRHFSA-N 0 0 419.500 4.577 40 0 HJABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(F)cc1 ZINC000047465714 558842350 /nfs/dbraw/zinc/84/23/50/558842350.db2.gz UTVCNTICSTYCHO-UHFFFAOYSA-N 0 0 404.850 4.532 40 0 HJABRN Cc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)on1 ZINC000019119829 558842926 /nfs/dbraw/zinc/84/29/26/558842926.db2.gz AAMFESLWVZWULA-LBPRGKRZSA-N 0 0 422.432 4.540 40 0 HJABRN COc1ccc(C)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1c1ccncc1 ZINC000019133579 558845847 /nfs/dbraw/zinc/84/58/47/558845847.db2.gz DUJVKJIZLOUFLE-RUZDIDTESA-N 0 0 404.510 4.564 40 0 HJABRN Cc1cc(-c2cncnc2-c2ccc(CNC(=O)[C@@H](C)c3ccc(C)cc3)cc2)on1 ZINC000019136386 558846257 /nfs/dbraw/zinc/84/62/57/558846257.db2.gz UVWFQXVZQYKFQB-SFHVURJKSA-N 0 0 412.493 4.835 40 0 HJABRN Cc1ccc([C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc2)cc1 ZINC000019136612 558846268 /nfs/dbraw/zinc/84/62/68/558846268.db2.gz RYMWMEKOMPXYQQ-HSZRJFAPSA-N 0 0 420.940 4.997 40 0 HJABRN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019209681 558848056 /nfs/dbraw/zinc/84/80/56/558848056.db2.gz JFINQMWBTYBIPO-HSZRJFAPSA-N 0 0 400.526 4.760 40 0 HJABRN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)Cc3ccc(C)cc3)cc2)on1 ZINC000019210082 558848133 /nfs/dbraw/zinc/84/81/33/558848133.db2.gz ZCSXETZRVNAVCJ-UHFFFAOYSA-N 0 0 412.493 4.583 40 0 HJABRN Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)c2ccccc2F)n1 ZINC000019287009 558860693 /nfs/dbraw/zinc/86/06/93/558860693.db2.gz MFLXLGNTYGSBDF-UHFFFAOYSA-N 0 0 412.468 4.829 40 0 HJABRN COc1ccccc1C(=O)N(Cc1ccccc1)Cc1nc(C)ncc1-c1ccncc1 ZINC000019287011 558860877 /nfs/dbraw/zinc/86/08/77/558860877.db2.gz STBOVCLYFAPTNJ-UHFFFAOYSA-N 0 0 424.504 4.698 40 0 HJABRN O=C(c1cc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)no1)N1CCCC1 ZINC000019292906 558864761 /nfs/dbraw/zinc/86/47/61/558864761.db2.gz NHPOBINKBGFEDW-HNNXBMFYSA-N 0 0 408.329 4.597 40 0 HJABRN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1Cl)c1cc(-c2ccco2)on1 ZINC000019349759 558875389 /nfs/dbraw/zinc/87/53/89/558875389.db2.gz BXLFBCOZXOHGSW-KRWDZBQOSA-N 0 0 422.872 4.640 40 0 HJABRN O=C(C1CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 ZINC000019373073 558880089 /nfs/dbraw/zinc/88/00/89/558880089.db2.gz OHXACVUSOLODTP-FQEVSTJZSA-N 0 0 413.525 4.788 40 0 HJABRN CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000013804632 558883343 /nfs/dbraw/zinc/88/33/43/558883343.db2.gz IDGCKJXQNAKQSW-HJOGWXRNSA-N 0 0 412.489 4.609 40 0 HJABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1Cl ZINC000056172912 558885226 /nfs/dbraw/zinc/88/52/26/558885226.db2.gz YNSKZCVMDDPHOF-UHFFFAOYSA-N 0 0 409.711 4.883 40 0 HJABRN CC(C)CC(=O)N1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019446253 558886103 /nfs/dbraw/zinc/88/61/03/558886103.db2.gz MRULFJKLHNZSRE-ZDUSSCGKSA-N 0 0 422.476 4.839 40 0 HJABRN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)C2CCC2)C1 ZINC000019449083 558887625 /nfs/dbraw/zinc/88/76/25/558887625.db2.gz ADMMQDIXJIQGEX-XMMPIXPASA-N 0 0 410.583 4.501 40 0 HJABRN CC(C)c1cc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)on1 ZINC000019452862 558890511 /nfs/dbraw/zinc/89/05/11/558890511.db2.gz WNLAKIYZMSXFLK-LBPRGKRZSA-N 0 0 406.408 4.713 40 0 HJABRN COc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc2c(c1)ncn2C(C)C ZINC000019454994 558891543 /nfs/dbraw/zinc/89/15/43/558891543.db2.gz JGALHMJVURRTRJ-UHFFFAOYSA-N 0 0 414.509 4.863 40 0 HJABRN C[C@@H]1CC(=O)N(c2cccc(C(=O)Nc3cccc(-c4cccc(F)c4)c3)c2)C1=O ZINC000019462380 558894107 /nfs/dbraw/zinc/89/41/07/558894107.db2.gz LFFXPKLWUSZHRR-OAHLLOKOSA-N 0 0 402.425 4.644 40 0 HJABRN CCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c2sccn12 ZINC000019523085 558904058 /nfs/dbraw/zinc/90/40/58/558904058.db2.gz SWQIFVILCIOVDA-IEBWSBKVSA-N 0 0 424.570 4.587 40 0 HJABRN CCc1nc2ccccc2n1C[C@H](C)C(=O)N[C@@H](c1cccs1)c1ccncc1 ZINC000019523276 558904441 /nfs/dbraw/zinc/90/44/41/558904441.db2.gz QSQYNNAPJALDIQ-KSFYIVLOSA-N 0 0 404.539 4.597 40 0 HJABRN CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 ZINC000019525587 558906900 /nfs/dbraw/zinc/90/69/00/558906900.db2.gz IMBKMLLVMUAHFE-OAQYLSRUSA-N 0 0 404.489 4.998 40 0 HJABRN CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)c2ccccc2F)n1 ZINC000019525590 558906935 /nfs/dbraw/zinc/90/69/35/558906935.db2.gz GYOIFLHFGVDAPI-IBGZPJMESA-N 0 0 408.477 4.899 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000019554167 558917238 /nfs/dbraw/zinc/91/72/38/558917238.db2.gz LCTGIGUJNNBXRB-OAHLLOKOSA-N 0 0 417.431 4.539 40 0 HJABRN Cc1nc2cc(NC(=O)c3cc(-c4cnn(C)c4C)on3)ccc2n1C1CCCCC1 ZINC000019554153 558917243 /nfs/dbraw/zinc/91/72/43/558917243.db2.gz QUPCHHNRBRJHTQ-UHFFFAOYSA-N 0 0 418.501 4.799 40 0 HJABRN COc1ccc(-c2ccccc2)cc1NCc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000019559686 558920928 /nfs/dbraw/zinc/92/09/28/558920928.db2.gz OBFXKSIDKYDEQZ-UHFFFAOYSA-N 0 0 416.477 4.833 40 0 HJABRN COc1cc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc(OC)c1OC ZINC000019559847 558921161 /nfs/dbraw/zinc/92/11/61/558921161.db2.gz GSGMYONRFOHVSV-KRWDZBQOSA-N 0 0 418.584 4.921 40 0 HJABRN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2sc(-c3ccccn3)nc2C)c1 ZINC000019561015 558922021 /nfs/dbraw/zinc/92/20/21/558922021.db2.gz XXGJBNBITNIOHC-GOSISDBHSA-N 0 0 409.511 4.508 40 0 HJABRN COc1cccc(CC(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)c1 ZINC000019564226 558924272 /nfs/dbraw/zinc/92/42/72/558924272.db2.gz DZRDLFYHTYMHAK-HNNXBMFYSA-N 0 0 417.431 4.539 40 0 HJABRN Cc1nc(C)c(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)s1 ZINC000019564829 558924857 /nfs/dbraw/zinc/92/48/57/558924857.db2.gz CCLXNJXZNWOHQE-UHFFFAOYSA-N 0 0 424.448 4.643 40 0 HJABRN Cc1c2ccccc2oc1C(=O)N1CCC[C@]2(CCC(=O)N2)[C@H]1c1cccc(F)c1 ZINC000019566182 558925863 /nfs/dbraw/zinc/92/58/63/558925863.db2.gz QRYQSCYKLTVMPM-VWNXMTODSA-N 0 0 406.457 4.506 40 0 HJABRN COc1cccc(CN2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)c1OC ZINC000019567861 558926958 /nfs/dbraw/zinc/92/69/58/558926958.db2.gz YBFYUNHQWUFWKF-IBGZPJMESA-N 0 0 416.481 4.639 40 0 HJABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000019568820 558927925 /nfs/dbraw/zinc/92/79/25/558927925.db2.gz ABTZKAHFAANAKR-LBPRGKRZSA-N 0 0 407.367 4.709 40 0 HJABRN Cc1cc(CN2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc(C)c1O ZINC000019570011 558928937 /nfs/dbraw/zinc/92/89/37/558928937.db2.gz IPZRTGFMJUZJGP-ZTFGCOKTSA-N 0 0 408.468 4.850 40 0 HJABRN Cc1cc(Nc2nc(-c3ccncc3)nc3c2CN(C(=O)C(C)(C)C)CC3)ccc1F ZINC000019570756 558929489 /nfs/dbraw/zinc/92/94/89/558929489.db2.gz COESMBREUCVJNK-UHFFFAOYSA-N 0 0 419.504 4.661 40 0 HJABRN COc1ccccc1-c1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccnc2)[nH]n1 ZINC000019571538 558930132 /nfs/dbraw/zinc/93/01/32/558930132.db2.gz WNTWZQLDXHPAOT-QFIPXVFZSA-N 0 0 418.884 4.653 40 0 HJABRN Cc1cc(C)n([C@H](C)CC(=O)NCCc2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000019573075 558931306 /nfs/dbraw/zinc/93/13/06/558931306.db2.gz DGOCLNVAENNUJW-OAHLLOKOSA-N 0 0 402.951 4.587 40 0 HJABRN Cc1cc(C)n(Cc2cccc(C(=O)N(Cc3ccncc3)C3CCCCC3)c2)n1 ZINC000019574490 558932097 /nfs/dbraw/zinc/93/20/97/558932097.db2.gz GZRHGIJQAHRRFO-UHFFFAOYSA-N 0 0 402.542 4.918 40 0 HJABRN Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 ZINC000019580657 558936181 /nfs/dbraw/zinc/93/61/81/558936181.db2.gz DFJFISCOISLPJL-AWEZNQCLSA-N 0 0 420.435 4.525 40 0 HJABRN Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)C(C)(C)C)CC3)c12 ZINC000072336000 558937159 /nfs/dbraw/zinc/93/71/59/558937159.db2.gz HEPDINPQIFZQAP-UHFFFAOYSA-N 0 0 412.578 4.969 40 0 HJABRN CN(C(=O)C1CCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000019586788 558939657 /nfs/dbraw/zinc/93/96/57/558939657.db2.gz RXJHPRZUJNLLJG-UHFFFAOYSA-N 0 0 409.555 4.652 40 0 HJABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)C[C@@H]2C=CCC2)C1 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Cc1cccc(-c2noc(CNC(=O)CSCc3ccc(Cl)cc3Cl)n2)c1 ZINC000222729354 568524889 /nfs/dbraw/zinc/52/48/89/568524889.db2.gz LJUXWJKXXXXNMW-UHFFFAOYSA-N 0 0 422.337 4.901 40 0 HJABRN Cc1cccc(CN(C(=O)COc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222737992 568525185 /nfs/dbraw/zinc/52/51/85/568525185.db2.gz UWEHLWBQKZUSKL-HXUWFJFHSA-N 0 0 424.585 4.829 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000222810461 568527080 /nfs/dbraw/zinc/52/70/80/568527080.db2.gz RDVLIBFNOBDFFZ-GOSISDBHSA-N 0 0 414.977 4.831 40 0 HJABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000222827288 568527577 /nfs/dbraw/zinc/52/75/77/568527577.db2.gz FPBJDROALIBLGO-KRWDZBQOSA-N 0 0 400.950 4.605 40 0 HJABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000222838397 568527960 /nfs/dbraw/zinc/52/79/60/568527960.db2.gz BPBRGRWZFCUKPK-LJQANCHMSA-N 0 0 420.940 4.616 40 0 HJABRN Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222855147 568528535 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4.511 40 0 HJABRN COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CC(C)C ZINC000222911000 568530563 /nfs/dbraw/zinc/53/05/63/568530563.db2.gz QSFCQJAXFQPDKT-FCHUYYIVSA-N 0 0 406.555 4.509 40 0 HJABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000222933003 568531529 /nfs/dbraw/zinc/53/15/29/568531529.db2.gz WSDBYRIIUSKOMT-UHFFFAOYSA-N 0 0 414.505 4.513 40 0 HJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C ZINC000222952786 568532130 /nfs/dbraw/zinc/53/21/30/568532130.db2.gz FJTCCVVLMSPUBX-XZOQPEGZSA-N 0 0 419.598 4.716 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000222955412 568532240 /nfs/dbraw/zinc/53/22/40/568532240.db2.gz SCXMZVWYUPSPQS-RUZDIDTESA-N 0 0 414.549 4.762 40 0 HJABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000222962177 568532459 /nfs/dbraw/zinc/53/24/59/568532459.db2.gz AMHBQUSRWVRXBU-FQEVSTJZSA-N 0 0 420.475 4.828 40 0 HJABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000222974787 568532766 /nfs/dbraw/zinc/53/27/66/568532766.db2.gz JGGDMCORWLXHTI-SFHVURJKSA-N 0 0 413.905 4.823 40 0 HJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OC)cc1 ZINC000222977196 568532939 /nfs/dbraw/zinc/53/29/39/568532939.db2.gz OSXMSDKKTPMPPF-YADHBBJMSA-N 0 0 406.555 4.654 40 0 HJABRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 ZINC000222979907 568532984 /nfs/dbraw/zinc/53/29/84/568532984.db2.gz LRURYUMARFJVOZ-HUUCEWRRSA-N 0 0 402.332 4.973 40 0 HJABRN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCc2cc(Br)ccc21 ZINC000222990589 568533453 /nfs/dbraw/zinc/53/34/53/568533453.db2.gz ZFLBQUOPVVIEKR-UHFFFAOYSA-N 0 0 407.116 4.507 40 0 HJABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000222994064 568533607 /nfs/dbraw/zinc/53/36/07/568533607.db2.gz YDYQXVMYNPEXBK-QHCPKHFHSA-N 0 0 406.526 4.598 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222995741 568533719 /nfs/dbraw/zinc/53/37/19/568533719.db2.gz XTDVDXVVIQEWNK-HSZRJFAPSA-N 0 0 408.586 4.779 40 0 HJABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223004101 568533971 /nfs/dbraw/zinc/53/39/71/568533971.db2.gz RKEWMBPZBBGTMO-IBGZPJMESA-N 0 0 413.905 4.823 40 0 HJABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223026297 568534649 /nfs/dbraw/zinc/53/46/49/568534649.db2.gz IPBCJRVWJUHGOK-VQTJNVASSA-N 0 0 413.930 4.614 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223042608 568535259 /nfs/dbraw/zinc/53/52/59/568535259.db2.gz QZKDXJGEKFVVFQ-HSZRJFAPSA-N 0 0 408.586 4.779 40 0 HJABRN CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 ZINC000223045393 568535459 /nfs/dbraw/zinc/53/54/59/568535459.db2.gz DCUITTIKCSWMMN-VWLOTQADSA-N 0 0 404.554 4.653 40 0 HJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223062578 568536156 /nfs/dbraw/zinc/53/61/56/568536156.db2.gz SXHXMCCACGLDMM-RBUKOAKNSA-N 0 0 414.977 4.831 40 0 HJABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223062639 568536220 /nfs/dbraw/zinc/53/62/20/568536220.db2.gz SXHXMCCACGLDMM-MOPGFXCFSA-N 0 0 414.977 4.831 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C ZINC000223091121 568537174 /nfs/dbraw/zinc/53/71/74/568537174.db2.gz NXGYPQFGQRVIOF-NRFANRHFSA-N 0 0 424.585 4.831 40 0 HJABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1C1CCCCC1 ZINC000223091015 568537223 /nfs/dbraw/zinc/53/72/23/568537223.db2.gz ILKGCNDPDNVZOU-VXKWHMMOSA-N 0 0 406.555 4.830 40 0 HJABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000223130377 568538785 /nfs/dbraw/zinc/53/87/85/568538785.db2.gz YAXIPNUWBYNBFW-QFIPXVFZSA-N 0 0 414.977 4.852 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223131771 568538797 /nfs/dbraw/zinc/53/87/97/568538797.db2.gz VYFQNKKOZKKSRK-QFIPXVFZSA-N 0 0 424.585 4.633 40 0 HJABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000223133377 568538923 /nfs/dbraw/zinc/53/89/23/568538923.db2.gz DOISAIBROOLCJY-SFHVURJKSA-N 0 0 406.526 4.598 40 0 HJABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl ZINC000223132472 568538952 /nfs/dbraw/zinc/53/89/52/568538952.db2.gz MCTOQXBJFMXKES-DLBZAZTESA-N 0 0 418.940 4.744 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc21 ZINC000223147082 568539473 /nfs/dbraw/zinc/53/94/73/568539473.db2.gz LTMPRQFFVQRMIQ-HSZRJFAPSA-N 0 0 422.956 4.979 40 0 HJABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000223174340 568540036 /nfs/dbraw/zinc/54/00/36/568540036.db2.gz CUDSCEYHPBMMRY-INIZCTEOSA-N 0 0 421.368 4.870 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000223176666 568540097 /nfs/dbraw/zinc/54/00/97/568540097.db2.gz URTPFAKVMRHOPS-QFIPXVFZSA-N 0 0 424.585 4.911 40 0 HJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223198003 568540789 /nfs/dbraw/zinc/54/07/89/568540789.db2.gz ORMLSDXHGZBPMJ-IBGZPJMESA-N 0 0 422.953 4.515 40 0 HJABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000223237352 568542049 /nfs/dbraw/zinc/54/20/49/568542049.db2.gz KIDDHNDUWWBUMT-IBGZPJMESA-N 0 0 420.553 4.988 40 0 HJABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 ZINC000223253035 568542718 /nfs/dbraw/zinc/54/27/18/568542718.db2.gz RKFABCNEABALEC-QHCPKHFHSA-N 0 0 408.586 4.958 40 0 HJABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 ZINC000223270293 568543538 /nfs/dbraw/zinc/54/35/38/568543538.db2.gz DWNGJHWTRDLVOY-HXUWFJFHSA-N 0 0 421.368 4.706 40 0 HJABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000223347653 568545974 /nfs/dbraw/zinc/54/59/74/568545974.db2.gz OTEQJVWDQGZWHM-DEOSSOPVSA-N 0 0 400.522 4.729 40 0 HJABRN CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223351057 568546031 /nfs/dbraw/zinc/54/60/31/568546031.db2.gz JNBWXHWOMCQPQB-AREMUKBSSA-N 0 0 414.549 4.771 40 0 HJABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223355064 568546238 /nfs/dbraw/zinc/54/62/38/568546238.db2.gz BILNOUHWHLJLEN-AREMUKBSSA-N 0 0 414.549 4.916 40 0 HJABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223356454 568546294 /nfs/dbraw/zinc/54/62/94/568546294.db2.gz KBVGLQMBPINUDM-VXKWHMMOSA-N 0 0 418.497 4.777 40 0 HJABRN CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)ccc1Cl ZINC000223361849 568546417 /nfs/dbraw/zinc/54/64/17/568546417.db2.gz XLKWFQBITSNAKV-AWEZNQCLSA-N 0 0 401.890 4.802 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 ZINC000223377465 568547067 /nfs/dbraw/zinc/54/70/67/568547067.db2.gz VGVOSEWJQCMSOJ-MRXNPFEDSA-N 0 0 421.368 4.870 40 0 HJABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 ZINC000223411222 568547827 /nfs/dbraw/zinc/54/78/27/568547827.db2.gz JHFHATQHMFLSHN-YADHBBJMSA-N 0 0 406.555 4.645 40 0 HJABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223410674 568547858 /nfs/dbraw/zinc/54/78/58/568547858.db2.gz VCTVQGCDJZYHOT-HSZRJFAPSA-N 0 0 421.928 4.531 40 0 HJABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 ZINC000223416853 568548294 /nfs/dbraw/zinc/54/82/94/568548294.db2.gz GEMYMUWZHKINSG-FCHUYYIVSA-N 0 0 420.582 4.819 40 0 HJABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(Cl)c1Cl ZINC000223422401 568548566 /nfs/dbraw/zinc/54/85/66/568548566.db2.gz PSZPDVFRJQDMCK-CYBMUJFWSA-N 0 0 402.343 4.967 40 0 HJABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 ZINC000223429550 568548804 /nfs/dbraw/zinc/54/88/04/568548804.db2.gz OMKWTBSWKHQLST-VXKWHMMOSA-N 0 0 406.555 4.645 40 0 HJABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223447666 568549156 /nfs/dbraw/zinc/54/91/56/568549156.db2.gz XZPRQJMICKUDJX-HXUWFJFHSA-N 0 0 418.940 4.744 40 0 HJABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(CC)cc1 ZINC000223461587 568549648 /nfs/dbraw/zinc/54/96/48/568549648.db2.gz AZEZZJRGFYWRBC-HXUWFJFHSA-N 0 0 424.585 4.524 40 0 HJABRN CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC ZINC000223537818 568551133 /nfs/dbraw/zinc/55/11/33/568551133.db2.gz HGMWNYOLMBXSAA-PGRDOPGGSA-N 0 0 414.977 4.995 40 0 HJABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 ZINC000223552806 568551567 /nfs/dbraw/zinc/55/15/67/568551567.db2.gz PCYKVTDUPVWOCT-DEOSSOPVSA-N 0 0 410.558 4.728 40 0 HJABRN CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)C(C)C ZINC000223557154 568551734 /nfs/dbraw/zinc/55/17/34/568551734.db2.gz MRSDGPVEBRWLEE-QHCPKHFHSA-N 0 0 410.558 4.728 40 0 HJABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000223567632 568551923 /nfs/dbraw/zinc/55/19/23/568551923.db2.gz YYMAAJHGEBPXJG-UUYOSTAYSA-N 0 0 420.578 4.912 40 0 HJABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223580178 568552290 /nfs/dbraw/zinc/55/22/90/568552290.db2.gz KJAQUFFMYPMBSS-UHFFFAOYSA-N 0 0 419.934 4.508 40 0 HJABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C ZINC000223605473 568553097 /nfs/dbraw/zinc/55/30/97/568553097.db2.gz QIMLWPLFUBNSMK-QHCPKHFHSA-N 0 0 424.585 4.913 40 0 HJABRN CCc1ccccc1N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000223630807 568554115 /nfs/dbraw/zinc/55/41/15/568554115.db2.gz DPKNOXPFBDRCDH-UHFFFAOYSA-N 0 0 422.506 4.553 40 0 HJABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000223649070 568554919 /nfs/dbraw/zinc/55/49/19/568554919.db2.gz ZSDGFUVHESESLW-UTKZUKDTSA-N 0 0 400.950 4.605 40 0 HJABRN CSc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(=O)C(C)C ZINC000223649282 568554950 /nfs/dbraw/zinc/55/49/50/568554950.db2.gz VDZSTAKKYUVNDC-UHFFFAOYSA-N 0 0 412.964 4.766 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 ZINC000223690787 568556259 /nfs/dbraw/zinc/55/62/59/568556259.db2.gz QLWABWTWXZYCDA-XMMPIXPASA-N 0 0 424.585 4.660 40 0 HJABRN Cc1ccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223720685 568557397 /nfs/dbraw/zinc/55/73/97/568557397.db2.gz WIPUKKKAPCJGQH-FQEVSTJZSA-N 0 0 424.610 4.704 40 0 HJABRN CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC ZINC000223729842 568557587 /nfs/dbraw/zinc/55/75/87/568557587.db2.gz MQGIIAFDSZSEFF-HXUWFJFHSA-N 0 0 421.368 4.870 40 0 HJABRN CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC ZINC000223729784 568557621 /nfs/dbraw/zinc/55/76/21/568557621.db2.gz MQGIIAFDSZSEFF-FQEVSTJZSA-N 0 0 421.368 4.870 40 0 HJABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1C ZINC000223745083 568557880 /nfs/dbraw/zinc/55/78/80/568557880.db2.gz SZPBTAKDOQPRGD-HSZRJFAPSA-N 0 0 424.585 4.714 40 0 HJABRN CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1 ZINC000223754501 568558118 /nfs/dbraw/zinc/55/81/18/568558118.db2.gz WICODTMGVWSKAC-HXUWFJFHSA-N 0 0 422.569 4.665 40 0 HJABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 ZINC000223759797 568558342 /nfs/dbraw/zinc/55/83/42/568558342.db2.gz BPZSPORFMFPCEG-QGZVFWFLSA-N 0 0 418.990 4.517 40 0 HJABRN Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223777550 568558709 /nfs/dbraw/zinc/55/87/09/568558709.db2.gz DXXZKDAVRQRHON-OAQYLSRUSA-N 0 0 406.570 4.712 40 0 HJABRN 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/nfs/dbraw/zinc/39/15/48/558391548.db2.gz RGSPRAJSXNTQEW-FPYGCLRLSA-N 0 0 421.722 4.591 40 0 HJABRN Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(C)c5)nc4nc3C2)cc1 ZINC000020632392 558394958 /nfs/dbraw/zinc/39/49/58/558394958.db2.gz MAKSTOYPIPJSLT-LJQANCHMSA-N 0 0 414.534 4.946 40 0 HJABRN Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5C)nc4nc3C2)cc1 ZINC000020632452 558394959 /nfs/dbraw/zinc/39/49/59/558394959.db2.gz NGOYBHWFNQOGAF-LJQANCHMSA-N 0 0 414.534 4.946 40 0 HJABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC)c(OCC)c1 ZINC000020633534 558395175 /nfs/dbraw/zinc/39/51/75/558395175.db2.gz BMCHERNSNCRNHN-JOCHJYFZSA-N 0 0 421.497 4.686 40 0 HJABRN CCc1nn2c(nnc(C(=O)Nc3ccc(CC)cc3)c2C)c1-c1ccc(F)cc1 ZINC000020633764 558395241 /nfs/dbraw/zinc/39/52/41/558395241.db2.gz DPTVRSPRWPMQJK-UHFFFAOYSA-N 0 0 403.461 4.616 40 0 HJABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1ccc(F)cc1 ZINC000020672738 558398510 /nfs/dbraw/zinc/39/85/10/558398510.db2.gz PLVAVCONBCWOLQ-UHFFFAOYSA-N 0 0 403.461 4.670 40 0 HJABRN CCc1nn2c(nnc(C(=O)Nc3ccc(Cl)cc3)c2C)c1-c1ccc(OC)cc1 ZINC000020672911 558398803 /nfs/dbraw/zinc/39/88/03/558398803.db2.gz YCHGOYBMEIKNPG-UHFFFAOYSA-N 0 0 421.888 4.576 40 0 HJABRN Nc1nc(N2CCCCC2)nc2nc3c(c(-c4cccc5ccccc54)c12)C(=O)CCC3 ZINC000020673590 558399061 /nfs/dbraw/zinc/39/90/61/558399061.db2.gz KCHWEPGDSMKVNB-UHFFFAOYSA-N 0 0 423.520 4.937 40 0 HJABRN CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(Cl)c1)C3 ZINC000020796378 558414331 /nfs/dbraw/zinc/41/43/31/558414331.db2.gz ULOQCEZEGILMCG-CQSZACIVSA-N 0 0 400.935 4.829 40 0 HJABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc(C(C)C)cc1 ZINC000020798502 558414929 /nfs/dbraw/zinc/41/49/29/558414929.db2.gz QZGCZIANXBCSJM-OAQYLSRUSA-N 0 0 420.509 4.639 40 0 HJABRN CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc(C)c1 ZINC000020802771 558415989 /nfs/dbraw/zinc/41/59/89/558415989.db2.gz XBUSCVSGKCGURT-VXKWHMMOSA-N 0 0 419.525 4.506 40 0 HJABRN CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cccc(C)c3nc21 ZINC000021596543 558442613 /nfs/dbraw/zinc/44/26/13/558442613.db2.gz NDUHXUPJQODVEE-UHFFFAOYSA-N 0 0 408.889 4.974 40 0 HJABRN COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccccc4cc23)cc1OC ZINC000021596652 558442643 /nfs/dbraw/zinc/44/26/43/558442643.db2.gz VQZAZGBVWMRMMQ-UHFFFAOYSA-N 0 0 404.470 4.510 40 0 HJABRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1NCCc1ccccc1 ZINC000022072891 558461927 /nfs/dbraw/zinc/46/19/27/558461927.db2.gz DDHIKCNLVHJFGO-UHFFFAOYSA-N 0 0 401.388 4.887 40 0 HJABRN CCOc1ccc(CCNc2ncccc2C(=O)NC2CCCCC2)cc1OCC ZINC000022072928 558462002 /nfs/dbraw/zinc/46/20/02/558462002.db2.gz AYYRWZYOELVLSA-UHFFFAOYSA-N 0 0 411.546 4.596 40 0 HJABRN Cn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c2cc(F)ccc21 ZINC000022236332 558470708 /nfs/dbraw/zinc/47/07/08/558470708.db2.gz IHOGIZPXLBNUED-UHFFFAOYSA-N 0 0 402.425 4.509 40 0 HJABRN CCOc1ccccc1NC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O ZINC000022236824 558470920 /nfs/dbraw/zinc/47/09/20/558470920.db2.gz YDVDGXNPHAEVQR-UHFFFAOYSA-N 0 0 404.388 4.691 40 0 HJABRN CCOc1ccc(NC(=O)c2cn(CC)c3ccc(C(F)(F)F)cc3c2=O)cc1 ZINC000022236827 558470932 /nfs/dbraw/zinc/47/09/32/558470932.db2.gz UEGMGVOWNDAWGW-UHFFFAOYSA-N 0 0 404.388 4.691 40 0 HJABRN CC[C@H](C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000022256851 558474460 /nfs/dbraw/zinc/47/44/60/558474460.db2.gz MAQXMKGISCBQMQ-KRWDZBQOSA-N 0 0 413.543 4.849 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)ccc2C)cc1 ZINC000022522964 558495241 /nfs/dbraw/zinc/49/52/41/558495241.db2.gz LPSLJESEWAFVAL-IBGZPJMESA-N 0 0 422.550 4.904 40 0 HJABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)c(Cl)c1 ZINC000022526551 558495852 /nfs/dbraw/zinc/49/58/52/558495852.db2.gz CSXXIFPYUQHUII-UHFFFAOYSA-N 0 0 419.905 4.885 40 0 HJABRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@]4(C)OC(C)=O)[C@@H]3CC[C@H]2C1 ZINC000013408725 558531979 /nfs/dbraw/zinc/53/19/79/558531979.db2.gz VQRXERHIFBGNDD-PMVSDGGYSA-N 0 0 418.574 4.852 40 0 HJABRN Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccccc2)C4)cc1 ZINC000013634236 558553229 /nfs/dbraw/zinc/55/32/29/558553229.db2.gz ZUADBNBOHYHUMJ-GOSISDBHSA-N 0 0 400.507 4.638 40 0 HJABRN CCCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@]12c1ccccc1N(C(C)C)C2=O ZINC000013635269 558553829 /nfs/dbraw/zinc/55/38/29/558553829.db2.gz NOSGXUMOTHGFBK-AREMUKBSSA-N 0 0 415.537 4.741 40 0 HJABRN CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)c(C)c1 ZINC000013668340 558560362 /nfs/dbraw/zinc/56/03/62/558560362.db2.gz PZMXZXAIUCFEDC-UHFFFAOYSA-N 0 0 422.344 4.806 40 0 HJABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc43)ccc2C)cc1C ZINC000013668441 558560370 /nfs/dbraw/zinc/56/03/70/558560370.db2.gz GTGVUWTVQLNUER-UHFFFAOYSA-N 0 0 420.534 4.616 40 0 HJABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000013673735 558563369 /nfs/dbraw/zinc/56/33/69/558563369.db2.gz VQZFTFCTNLRBEV-GOSISDBHSA-N 0 0 408.523 4.595 40 0 HJABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc43)ccc2C)c1 ZINC000013676180 558564392 /nfs/dbraw/zinc/56/43/92/558564392.db2.gz ZAAUEQHUMSIZHW-UHFFFAOYSA-N 0 0 420.534 4.616 40 0 HJABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(I)cc1 ZINC000013689116 558571438 /nfs/dbraw/zinc/57/14/38/558571438.db2.gz JEXDCVVCUDNDSH-CYBMUJFWSA-N 0 0 417.246 4.850 40 0 HJABRN CCOc1ccc(CNC(=S)Nc2ccc(Br)cc2)cc1OCC ZINC000013754894 558590304 /nfs/dbraw/zinc/59/03/04/558590304.db2.gz ISONMNIRGHJXAS-UHFFFAOYSA-N 0 0 409.349 4.733 40 0 HJABRN CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013991499 558611084 /nfs/dbraw/zinc/61/10/84/558611084.db2.gz JFENFTDLAZDZHD-UHFFFAOYSA-N 0 0 402.494 4.758 40 0 HJABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000013994941 558611489 /nfs/dbraw/zinc/61/14/89/558611489.db2.gz HWRGQCAPOOFDMX-QHCPKHFHSA-N 0 0 416.521 4.764 40 0 HJABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000013994953 558611524 /nfs/dbraw/zinc/61/15/24/558611524.db2.gz QULPBUHKXOTZMM-QFIPXVFZSA-N 0 0 402.494 4.721 40 0 HJABRN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 ZINC000026504557 558662133 /nfs/dbraw/zinc/66/21/33/558662133.db2.gz RYMZZMVNJRMUDD-CROHETRMSA-N 0 0 418.574 4.586 40 0 in-vitro HJABRN CCCC1([C@H](O)CCC[C@@H]2[C@@H](CCCCCCC(=O)OC)C(=O)C[C@@H]2O)CCC1 ZINC000027639806 558677578 /nfs/dbraw/zinc/67/75/78/558677578.db2.gz HOESNYASPMLJNB-KRXUUXHPSA-N 0 0 410.595 4.568 40 0 in-vitro HJABRN Cc1ccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039762524 558685534 /nfs/dbraw/zinc/68/55/34/558685534.db2.gz QZCICHUYQDPDPT-UHFFFAOYSA-N 0 0 402.941 4.749 40 0 HJABRN COc1cccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1OC ZINC000015008470 558699524 /nfs/dbraw/zinc/69/95/24/558699524.db2.gz VNYKFUPQTKJKAO-CXUHLZMHSA-N 0 0 407.850 4.733 40 0 HJABRN Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000036611616 558726366 /nfs/dbraw/zinc/72/63/66/558726366.db2.gz IZPRWOBCMPVIPW-UHFFFAOYSA-N 0 0 415.328 4.656 40 0 HJABRN COc1ccc([C@H](CC(C)C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000030758256 558737802 /nfs/dbraw/zinc/73/78/02/558737802.db2.gz BGQQIBRBLSLMOI-HKFHZZIHSA-N 0 0 413.514 4.638 40 0 HJABRN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(I)cc1 ZINC000030856920 558741283 /nfs/dbraw/zinc/74/12/83/558741283.db2.gz CFMOAIQYHDLIFE-AWEZNQCLSA-N 0 0 415.658 4.741 40 0 HJABRN Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015600489 558745551 /nfs/dbraw/zinc/74/55/51/558745551.db2.gz KQFYNJMXXQBKIV-UHFFFAOYSA-N 0 0 418.877 4.841 40 0 HJABRN CCOC(=O)N1N=C(c2ccccc2)O[C@@]2(N3CCCC3)CC[C@H](C(C)(C)C)C[C@@H]12 ZINC000031771762 558752468 /nfs/dbraw/zinc/75/24/68/558752468.db2.gz VGGJUABZLUJXJR-ROKPMTFOSA-N 0 0 413.562 4.844 40 0 HJABRN Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015992273 558765502 /nfs/dbraw/zinc/76/55/02/558765502.db2.gz HOMKYAQELCQZMU-UHFFFAOYSA-N 0 0 414.914 4.726 40 0 HJABRN COc1ccc(C2C(C(=O)OC(C)(C)C)=C(C)NC(C)=C2C(=O)OC(C)(C)C)cc1 ZINC000033624601 558770653 /nfs/dbraw/zinc/77/06/53/558770653.db2.gz SBFGYMFKLZDGTM-UHFFFAOYSA-N 0 0 415.530 4.613 40 0 HJABRN CCc1cc(I)ccc1NC(=O)c1cc(Cl)ccc1OC ZINC000016161248 558774578 /nfs/dbraw/zinc/77/45/78/558774578.db2.gz OLYCGMDCTGFIQD-UHFFFAOYSA-N 0 0 415.658 4.768 40 0 HJABRN CN(C)C(=S)S[C@H]1C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 ZINC000016163083 558775179 /nfs/dbraw/zinc/77/51/79/558775179.db2.gz CGJPGHHUDOQHAA-SJORKVTESA-N 0 0 422.369 4.714 40 0 HJABRN Cc1ccc(Cl)cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000016347387 558787306 /nfs/dbraw/zinc/78/73/06/558787306.db2.gz ANVKJBFUQTXJDK-UHFFFAOYSA-N 0 0 420.962 4.611 40 0 HJABRN Clc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cccc(Cl)c2)cc1 ZINC000016399049 558789701 /nfs/dbraw/zinc/78/97/01/558789701.db2.gz KVMWEYQVKMOILO-UHFFFAOYSA-N 0 0 409.280 4.971 40 0 HJABRN Nc1ccc(C(=O)OCCCCCCCCCCOC(=O)c2ccc(N)cc2)cc1 ZINC000035586039 558793977 /nfs/dbraw/zinc/79/39/77/558793977.db2.gz PDFLBOGQDBGJTF-UHFFFAOYSA-N 0 0 412.530 4.986 40 0 HJABRN CC(C)c1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000016575911 558796028 /nfs/dbraw/zinc/79/60/28/558796028.db2.gz ZSAWMBGJGWSQLQ-UHFFFAOYSA-N 0 0 424.522 4.628 40 0 HJABRN CC[C@@]1(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CCC(=O)NC1=O ZINC000016611458 558796789 /nfs/dbraw/zinc/79/67/89/558796789.db2.gz MQPALEZAIOPFTL-FQEVSTJZSA-N 0 0 420.296 4.722 40 0 HJABRN COC(=O)c1ccccc1NC(=O)c1oc2c(c1C)C1(CCC2)SCCS1 ZINC000016740201 558803321 /nfs/dbraw/zinc/80/33/21/558803321.db2.gz AODXTURUUIEDGP-UHFFFAOYSA-N 0 0 403.525 4.596 40 0 HJABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C(C)(C)C ZINC000016780600 558806983 /nfs/dbraw/zinc/80/69/83/558806983.db2.gz JDFNPEWUDJQZEY-UHFFFAOYSA-N 0 0 412.349 4.946 40 0 HJABRN O=C(NCC1(c2ccccc2)CCOCC1)c1cc(Br)ccc1Cl ZINC000016968823 558810827 /nfs/dbraw/zinc/81/08/27/558810827.db2.gz ONZNMZUEZJSNNJ-UHFFFAOYSA-N 0 0 408.723 4.581 40 0 HJABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1 ZINC000038753433 558813883 /nfs/dbraw/zinc/81/38/83/558813883.db2.gz MOABOMBDVAVVOW-QHCPKHFHSA-N 0 0 422.550 4.701 40 0 HJABRN COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(F)cc1 ZINC000017086203 558816028 /nfs/dbraw/zinc/81/60/28/558816028.db2.gz CBCHSGJXUXEAQN-RGVLZGJSSA-N 0 0 421.399 4.897 40 0 HJABRN COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000038835142 558817961 /nfs/dbraw/zinc/81/79/61/558817961.db2.gz GSMKMJIRNZMYSQ-UHFFFAOYSA-N 0 0 421.324 4.631 40 0 HJABRN COc1ccc(CCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038848939 558818250 /nfs/dbraw/zinc/81/82/50/558818250.db2.gz VZIYLVNAYJNTGN-UHFFFAOYSA-N 0 0 421.368 4.573 40 0 HJABRN Cc1cc(NC(=S)NC(=O)c2ccccc2F)cc(-c2nc3ccccc3o2)c1O ZINC000017092659 558821165 /nfs/dbraw/zinc/82/11/65/558821165.db2.gz BQKOZVVBXUIZIG-UHFFFAOYSA-N 0 0 421.453 4.775 40 0 HJABRN Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c(C)c1 ZINC000101029044 558825281 /nfs/dbraw/zinc/82/52/81/558825281.db2.gz GGXVKOKJHJWILE-BVSLBCMMSA-N 0 0 418.518 4.724 40 0 HJABRN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000018171956 558832563 /nfs/dbraw/zinc/83/25/63/558832563.db2.gz PYPWPJNJBWAMBY-UHFFFAOYSA-N 0 0 419.909 4.618 40 0 HJABRN CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019020032 558837778 /nfs/dbraw/zinc/83/77/78/558837778.db2.gz BCUWZSGMVMRNGF-ZJSXRUAMSA-N 0 0 422.525 4.629 40 0 HJABRN CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019081333 558839392 /nfs/dbraw/zinc/83/93/92/558839392.db2.gz PNXWBBCADAEIOM-HXUWFJFHSA-N 0 0 401.514 4.992 40 0 HJABRN CC(C)(C)c1ccc(OCC(=O)N2CCC[C@H](c3cc4ncccc4cn3)C2)cc1 ZINC000019084504 558840820 /nfs/dbraw/zinc/84/08/20/558840820.db2.gz JZZODLLTAVTLCU-IBGZPJMESA-N 0 0 403.526 4.712 40 0 HJABRN CCCOc1ccc(/C=C2\N=C(c3ccc(Br)o3)OC2=O)cc1OCC ZINC000019117765 558842451 /nfs/dbraw/zinc/84/24/51/558842451.db2.gz SUIBOUFPYNCUMD-RAXLEYEMSA-N 0 0 420.259 4.574 40 0 HJABRN Cc1cc(C)c2c(C3CCN(C(=O)c4ccccc4F)CC3)nn(CC(C)C)c2n1 ZINC000019118894 558842569 /nfs/dbraw/zinc/84/25/69/558842569.db2.gz XEVOPNJQISBZDT-UHFFFAOYSA-N 0 0 408.521 4.863 40 0 HJABRN Cc1cc(-c2cnc(C3CCN(C(=O)Cc4ccccc4F)CC3)nc2C(C)C)on1 ZINC000019121645 558843256 /nfs/dbraw/zinc/84/32/56/558843256.db2.gz WTWQBEXORQVUOQ-UHFFFAOYSA-N 0 0 422.504 4.651 40 0 HJABRN Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)cn1 ZINC000019214873 558849947 /nfs/dbraw/zinc/84/99/47/558849947.db2.gz YWKHNBAEUVTUHK-KRWDZBQOSA-N 0 0 417.435 4.552 40 0 HJABRN CC(C)C(=O)Nc1ccc2[nH]cc(C(C(=O)[O-])[N@@H+]3CC4(C)CC3CC(C)(C)C4)c2c1 ZINC000085914778 558851672 /nfs/dbraw/zinc/85/16/72/558851672.db2.gz YOFPIQPIAWDZSZ-GANZUKCXSA-N 0 0 411.546 4.789 40 0 HJABRN Cc1ccc2oc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)cc2c1 ZINC000019221326 558851865 /nfs/dbraw/zinc/85/18/65/558851865.db2.gz XCEZZNDGCDZFHC-VWNXMTODSA-N 0 0 406.457 4.506 40 0 HJABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000013688092 558855183 /nfs/dbraw/zinc/85/51/83/558855183.db2.gz LWGQZJYYCUEDKM-SDHOMARFSA-N 0 0 420.468 4.891 40 0 HJABRN Cc1ccccc1CC(=O)N1CCC[C@@H](c2nnc(-c3nccc4ccccc43)o2)C1 ZINC000019237053 558856301 /nfs/dbraw/zinc/85/63/01/558856301.db2.gz XWRFSNRSGMGURY-HXUWFJFHSA-N 0 0 412.493 4.542 40 0 HJABRN Cc1cnccc1CN1CCC[C@@H]1c1cc2nc(C(C)C)cc(C(F)(F)F)n2n1 ZINC000019239523 558858179 /nfs/dbraw/zinc/85/81/79/558858179.db2.gz QARPJMRDPWWZLG-GOSISDBHSA-N 0 0 403.452 4.912 40 0 HJABRN COc1ccc(C(=O)N(Cc2ccccc2)Cc2nc(C)ncc2-c2ccncc2)cc1 ZINC000019287006 558860749 /nfs/dbraw/zinc/86/07/49/558860749.db2.gz ROCXVRTWRFCTRZ-UHFFFAOYSA-N 0 0 424.504 4.698 40 0 HJABRN Cc1nccn1CCCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000019288129 558861253 /nfs/dbraw/zinc/86/12/53/558861253.db2.gz OVKAUZDUMPVPEQ-UHFFFAOYSA-N 0 0 408.449 4.677 40 0 HJABRN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000013748248 558863489 /nfs/dbraw/zinc/86/34/89/558863489.db2.gz HHCOPXVNGAMPHL-NAZSJPOASA-N 0 0 400.906 4.861 40 0 HJABRN CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013757644 558865409 /nfs/dbraw/zinc/86/54/09/558865409.db2.gz XMMKDNVRLXROGB-AEMJNJESSA-N 0 0 410.489 4.721 40 0 HJABRN O=C(C1CCC1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294144 558865666 /nfs/dbraw/zinc/86/56/66/558865666.db2.gz ARBOLYNKNJEAKD-SFHVURJKSA-N 0 0 417.488 4.537 40 0 HJABRN O=C(c1ccccc1)N1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccncc2)C1 ZINC000019368720 558877479 /nfs/dbraw/zinc/87/74/79/558877479.db2.gz VZHFPIXEWQCFSS-JOCHJYFZSA-N 0 0 421.504 4.620 40 0 HJABRN O=C(CCc1nc2cc(Cl)ccc2[nH]1)NCCc1nc(-c2ccccc2)cs1 ZINC000019374332 558881307 /nfs/dbraw/zinc/88/13/07/558881307.db2.gz VVROCZSWGDUTSV-UHFFFAOYSA-N 0 0 410.930 4.631 40 0 HJABRN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCC2)C1 ZINC000019449129 558887747 /nfs/dbraw/zinc/88/77/47/558887747.db2.gz GCJGRFIWOCDLOD-VWLOTQADSA-N 0 0 424.610 4.891 40 0 HJABRN C[C@@H]1CCc2onc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3Cl)c2C1 ZINC000019497149 558895914 /nfs/dbraw/zinc/89/59/14/558895914.db2.gz GZPLVRMGVWWROI-AUUYWEPGSA-N 0 0 424.932 4.505 40 0 HJABRN CCC(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019498754 558897062 /nfs/dbraw/zinc/89/70/62/558897062.db2.gz BQJLMYCPFHERBF-KRWDZBQOSA-N 0 0 405.477 4.537 40 0 HJABRN CC[C@@H](NC(=O)c1ccc(Cn2nc(C(F)(F)F)cc2C)o1)c1ccc(OC)cc1 ZINC000019500511 558898767 /nfs/dbraw/zinc/89/87/67/558898767.db2.gz SMRRBISHLCEZSJ-QGZVFWFLSA-N 0 0 421.419 4.741 40 0 HJABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccncc3C)cc2N1 ZINC000019520635 558901695 /nfs/dbraw/zinc/90/16/95/558901695.db2.gz NWZVDUYUOMBPCI-FHLIZLRMSA-N 0 0 421.467 4.652 40 0 HJABRN CCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)c2sccn12 ZINC000019523083 558904224 /nfs/dbraw/zinc/90/42/24/558904224.db2.gz SWQIFVILCIOVDA-MJGOQNOKSA-N 0 0 424.570 4.587 40 0 HJABRN CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c(C)n1 ZINC000019524557 558905692 /nfs/dbraw/zinc/90/56/92/558905692.db2.gz LGSFLWFAZSPAKA-FQEVSTJZSA-N 0 0 408.502 4.712 40 0 HJABRN CCCc1cc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)no1 ZINC000019525311 558906776 /nfs/dbraw/zinc/90/67/76/558906776.db2.gz MXBLPJOQGIHJJA-GFCCVEGCSA-N 0 0 406.408 4.542 40 0 HJABRN CCOCc1cc(CN2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)ccc1OC ZINC000019531153 558911763 /nfs/dbraw/zinc/91/17/63/558911763.db2.gz RISKNNNYXWHBJL-FQEVSTJZSA-N 0 0 410.518 4.645 40 0 HJABRN Cc1noc(-c2cn[nH]c2[C@H]2CCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)c1C ZINC000019558030 558919930 /nfs/dbraw/zinc/91/99/30/558919930.db2.gz RZRLYBUSUJFSEK-QGZVFWFLSA-N 0 0 419.312 4.895 40 0 HJABRN Cc1nc(C)c(CC(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)s1 ZINC000019560412 558921367 /nfs/dbraw/zinc/92/13/67/558921367.db2.gz UCMYPSZVRATPLC-ZDUSSCGKSA-N 0 0 422.476 4.604 40 0 HJABRN COc1ccc(CNc2ncc(-c3cccs3)c(-c3nccs3)n2)cc1OC ZINC000019561268 558922251 /nfs/dbraw/zinc/92/22/51/558922251.db2.gz KIIOWDXJQOXZKO-UHFFFAOYSA-N 0 0 410.524 4.958 40 0 HJABRN COc1ccc2c(c1)C[C@@H](C(=O)N1CCc3sccc3[C@@H]1c1cccs1)CO2 ZINC000019562414 558922936 /nfs/dbraw/zinc/92/29/36/558922936.db2.gz DLWDWVGFWSGDAG-QVKFZJNVSA-N 0 0 411.548 4.544 40 0 HJABRN COc1ccc2c(c1)C[C@H](C(=O)N1CCc3sccc3[C@H]1c1cccs1)CO2 ZINC000019562417 558922940 /nfs/dbraw/zinc/92/29/40/558922940.db2.gz DLWDWVGFWSGDAG-BTYIYWSLSA-N 0 0 411.548 4.544 40 0 HJABRN Cc1nn([C@H](C)CC(=O)N2CCC[C@@H](COc3ccccc3F)C2)c(C)c1Cl ZINC000019577510 558933423 /nfs/dbraw/zinc/93/34/23/558933423.db2.gz PANSGIVXJFBHKM-RHSMWYFYSA-N 0 0 407.917 4.561 40 0 HJABRN COc1ccccc1-c1noc(C)c1C(=O)N1CCC[C@H](COc2ccccc2F)C1 ZINC000019579648 558935361 /nfs/dbraw/zinc/93/53/61/558935361.db2.gz NJVROLOAQKZTNW-KRWDZBQOSA-N 0 0 424.472 4.729 40 0 HJABRN O=C(N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000072337770 558938002 /nfs/dbraw/zinc/93/80/02/558938002.db2.gz AYRYYEHYEXSHNL-YJBOKZPZSA-N 0 0 424.397 4.929 40 0 HJABRN CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC000019591200 558941340 /nfs/dbraw/zinc/94/13/40/558941340.db2.gz QCXXRYHEBKKIMY-RUZDIDTESA-N 0 0 418.562 4.626 40 0 HJABRN CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2F)C(C(=O)OC(C)(C)C)=C(C)N1 ZINC000019594035 558945170 /nfs/dbraw/zinc/94/51/70/558945170.db2.gz RQSTTWCDOBMVAL-UHFFFAOYSA-N 0 0 403.494 4.744 40 0 HJABRN O=C(Cc1cccnc1)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072349411 558946190 /nfs/dbraw/zinc/94/61/90/558946190.db2.gz ZVVNERDFEREDJC-UHFFFAOYSA-N 0 0 405.929 4.670 40 0 HJABRN O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349455 558946362 /nfs/dbraw/zinc/94/63/62/558946362.db2.gz ORDUOAMFCVANQW-FQEVSTJZSA-N 0 0 405.929 4.670 40 0 HJABRN COc1ccc(CC(=O)N2CCC[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 ZINC000072349567 558946524 /nfs/dbraw/zinc/94/65/24/558946524.db2.gz ZBGXIOSWKDTDCQ-QFIPXVFZSA-N 0 0 400.522 4.630 40 0 HJABRN COc1ccc(CC(=O)N2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)cc1 ZINC000072349578 558946571 /nfs/dbraw/zinc/94/65/71/558946571.db2.gz LSLFNHYTKJQNSX-UHFFFAOYSA-N 0 0 418.512 4.769 40 0 HJABRN CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)Nc2c(C)ccc3nc(C)ccc32)nn1 ZINC000019656063 558949240 /nfs/dbraw/zinc/94/92/40/558949240.db2.gz YFTFKWYQOPUDRW-NRFANRHFSA-N 0 0 403.461 4.834 40 0 HJABRN O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1ccc(Nc2cnccn2)cn1 ZINC000072353156 558949947 /nfs/dbraw/zinc/94/99/47/558949947.db2.gz WHWXMTJHCUNPAL-HXUWFJFHSA-N 0 0 407.905 4.565 40 0 HJABRN Cn1c2ccc(NC(=O)c3cc(-c4ccc(F)cc4)no3)cc2nc1C(F)(F)F ZINC000019659482 558950973 /nfs/dbraw/zinc/95/09/73/558950973.db2.gz MQHBCPWJVUMNMU-UHFFFAOYSA-N 0 0 404.323 4.639 40 0 HJABRN CC(C)(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(F)c1 ZINC000019661380 558952392 /nfs/dbraw/zinc/95/23/92/558952392.db2.gz GHXLJWXBKCRAFQ-UHFFFAOYSA-N 0 0 423.454 4.550 40 0 HJABRN Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ccnc(-c4cccc(Cl)c4)n3)ccc2[nH]1 ZINC000072355860 558952718 /nfs/dbraw/zinc/95/27/18/558952718.db2.gz IMBIHWMTQSJACR-OAQYLSRUSA-N 0 0 417.900 4.959 40 0 HJABRN COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)CCc3ccccc3)n2)c1 ZINC000072357769 558953446 /nfs/dbraw/zinc/95/34/46/558953446.db2.gz NLFSOPVSQXVQEF-RUZDIDTESA-N 0 0 400.522 4.977 40 0 HJABRN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@@H](C)c1nc(-c2cccc(C)c2)no1 ZINC000019664247 558954833 /nfs/dbraw/zinc/95/48/33/558954833.db2.gz XJQAEGOHLYRNRP-KRWDZBQOSA-N 0 0 402.498 4.871 40 0 HJABRN O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072359180 558955024 /nfs/dbraw/zinc/95/50/24/558955024.db2.gz AIZRUKHHTHVSJT-IBGZPJMESA-N 0 0 407.464 4.761 40 0 HJABRN COCc1nn2c(ncc3c2ccn([C@@H]2CCC[C@H](C)[C@H]2C)c3=O)c1-c1ccccc1 ZINC000040396434 558957255 /nfs/dbraw/zinc/95/72/55/558957255.db2.gz ZJSVXTXKCIZWFG-CSODHUTKSA-N 0 0 416.525 4.855 40 0 HJABRN Cc1nn(C[C@H](C)c2cc(NCCCOc3cccc(C)c3)nc(C)n2)c(C)c1C ZINC000072373190 558961064 /nfs/dbraw/zinc/96/10/64/558961064.db2.gz XSDOGNHOKRUEPV-KRWDZBQOSA-N 0 0 407.562 4.900 40 0 HJABRN Cc1nccn1CCCC(=O)N1CCC[C@@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019692053 558961691 /nfs/dbraw/zinc/96/16/91/558961691.db2.gz DJWPVAUTLRDJRP-RUZDIDTESA-N 0 0 416.569 4.938 40 0 HJABRN CC[C@H]1c2cc(CO)ccc2N(Nc2ncc(C(F)(F)F)cc2Cl)N1S ZINC000064220219 558962505 /nfs/dbraw/zinc/96/25/05/558962505.db2.gz WACSWDQOWLGNOW-ZDUSSCGKSA-N 0 0 404.845 4.606 40 0 HJABRN CC(C)C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(C(F)(F)F)cc1 ZINC000019694401 558962887 /nfs/dbraw/zinc/96/28/87/558962887.db2.gz SAUKLMKJQQUFIR-GOSISDBHSA-N 0 0 420.479 4.938 40 0 HJABRN Cc1onc(C(C)C)c1C(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 ZINC000072375488 558964032 /nfs/dbraw/zinc/96/40/32/558964032.db2.gz UPNHCJCJAOCIOT-GOSISDBHSA-N 0 0 420.517 4.629 40 0 HJABRN CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cccc(F)c2)CCO1 ZINC000019697535 558965128 /nfs/dbraw/zinc/96/51/28/558965128.db2.gz OSBPXUQFFXSEHP-IBGZPJMESA-N 0 0 412.530 4.752 40 0 HJABRN Cc1cccnc1Nc1cncc([C@@H]2CCCN2Cc2cn(C)c3ccc(F)cc23)n1 ZINC000072376419 558965614 /nfs/dbraw/zinc/96/56/14/558965614.db2.gz CPOQGWDQNHFFAX-QFIPXVFZSA-N 0 0 416.504 4.892 40 0 HJABRN COc1cc2c(cc1CN1CCC[C@H]1c1cncc(Nc3ncccc3C)n1)CCC2 ZINC000072376349 558965674 /nfs/dbraw/zinc/96/56/74/558965674.db2.gz YUAXSJKQNFIYJR-QFIPXVFZSA-N 0 0 415.541 4.758 40 0 HJABRN CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)Cc4ccccc4)C3)[nH]n2)cc1 ZINC000072380103 558968086 /nfs/dbraw/zinc/96/80/86/558968086.db2.gz LKQFFFANWVOJRJ-QFIPXVFZSA-N 0 0 417.553 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