smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044851575 520475473 /nfs/dbraw/zinc/47/54/73/520475473.db2.gz STOZYGMIZDUBAA-JOCHJYFZSA-N 0 3 412.549 4.576 40 0 HJABHN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000044852979 525436220 /nfs/dbraw/zinc/43/62/20/525436220.db2.gz JGRIOVAOKKKOIR-NRFANRHFSA-N 0 3 414.549 4.751 40 0 HJABHN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000044855664 525552623 /nfs/dbraw/zinc/55/26/23/525552623.db2.gz FOIUUUHTFLRUOD-QHCPKHFHSA-N 0 3 422.569 4.634 40 0 HJABHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044855361 526174263 /nfs/dbraw/zinc/17/42/63/526174263.db2.gz DXYWFGYPDCIKGT-KNQAVFIVSA-N 0 3 410.533 4.765 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)cc1 ZINC000039753663 558687396 /nfs/dbraw/zinc/68/73/96/558687396.db2.gz CHSXRVRMOKOAFG-UHFFFAOYSA-N 0 3 405.311 4.747 40 0 HJABHN COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000030852430 558740471 /nfs/dbraw/zinc/74/04/71/558740471.db2.gz YDUHZLNRXHKYBT-IBGZPJMESA-N 0 3 400.522 4.745 40 0 HJABHN O=C(CC1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000039964078 558823052 /nfs/dbraw/zinc/82/30/52/558823052.db2.gz AQQSLKLZURUGOZ-OAQYLSRUSA-N 0 3 402.498 4.676 40 0 HJABHN Cc1cc(-c2snnc2[C@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)on1 ZINC000019120766 558843045 /nfs/dbraw/zinc/84/30/45/558843045.db2.gz JQFMAJPPJDUKPS-AWEZNQCLSA-N 0 3 408.449 4.900 40 0 HJABHN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(Cc3ccccc3F)CC2)on1 ZINC000019123236 558844064 /nfs/dbraw/zinc/84/40/64/558844064.db2.gz IRHVTVGPOQCKFG-UHFFFAOYSA-N 0 3 409.509 4.779 40 0 HJABHN CC(=O)N1CCC[C@@H](NCc2cc3ccccc3nc2N(C)C)[C@@H]1c1ccc(C)s1 ZINC000019217325 558850670 /nfs/dbraw/zinc/85/06/70/558850670.db2.gz HVBCAAYXRDLQBG-FYYLOGMGSA-N 0 3 422.598 4.513 40 0 HJABHN COc1ccc(C(C)(C)C)cc1CN1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 ZINC000019239041 558857784 /nfs/dbraw/zinc/85/77/84/558857784.db2.gz BRRDZOLWIHGTCD-UHFFFAOYSA-N 0 3 421.545 4.521 40 0 HJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@H]3C2=O)c(C)c1 ZINC000013750999 558864026 /nfs/dbraw/zinc/86/40/26/558864026.db2.gz GGXVKOKJHJWILE-HJNYFJLDSA-N 0 3 418.518 4.724 40 0 HJABHN O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019293418 558865157 /nfs/dbraw/zinc/86/51/57/558865157.db2.gz IQMCPJDUWAOXCQ-ACRUOGEOSA-N 0 3 400.975 4.628 40 0 HJABHN O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019400635 558883185 /nfs/dbraw/zinc/88/31/85/558883185.db2.gz GVMOOXRARZPCAJ-PXDATVDWSA-N 0 3 409.549 4.871 40 0 HJABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000019400641 558883212 /nfs/dbraw/zinc/88/32/12/558883212.db2.gz OTUMIUCTZRIJTC-HYBUGGRVSA-N 0 3 421.491 4.743 40 0 HJABHN CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4C)C3)cc2N1 ZINC000019500876 558898731 /nfs/dbraw/zinc/89/87/31/558898731.db2.gz RWCYJNURQPBREZ-LMMKCTJWSA-N 0 3 407.484 4.664 40 0 HJABHN COc1ccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 ZINC000019554979 558917918 /nfs/dbraw/zinc/91/79/18/558917918.db2.gz QLCGPQOOOVIBTM-QHCPKHFHSA-N 0 3 421.566 4.535 40 0 HJABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000072330406 558934538 /nfs/dbraw/zinc/93/45/38/558934538.db2.gz LUQCUPUKHROZKV-GCJKJVERSA-N 0 3 409.530 4.666 40 0 HJABHN Cc1ccccc1OCCN1CC[C@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000072352318 558948618 /nfs/dbraw/zinc/94/86/18/558948618.db2.gz IJBLUPGTLKHKGL-SFHVURJKSA-N 0 3 408.567 4.780 40 0 HJABHN COc1cc2c(cc1CN1CCC[C@H]1c1cc(Nc3cnccn3)cc(C)n1)CCC2 ZINC000072372634 558960398 /nfs/dbraw/zinc/96/03/98/558960398.db2.gz FWHNUIHPXDVLFJ-QHCPKHFHSA-N 0 3 415.541 4.758 40 0 HJABHN CCn1ncc(CN2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)c1C ZINC000072374959 558963286 /nfs/dbraw/zinc/96/32/86/558963286.db2.gz JNLSJIFELVHCRY-FQEVSTJZSA-N 0 3 404.562 4.741 40 0 HJABHN O=C(Cc1ccsc1)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393388 558972676 /nfs/dbraw/zinc/97/26/76/558972676.db2.gz VAZVBXLTBLWMQG-UHFFFAOYSA-N 0 3 402.991 4.647 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053090 559092900 /nfs/dbraw/zinc/09/29/00/559092900.db2.gz DIUZCCHLTVDQGY-FQEVSTJZSA-N 0 3 410.583 4.565 40 0 HJABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)s1 ZINC000096053098 559092973 /nfs/dbraw/zinc/09/29/73/559092973.db2.gz SMWIRVZIZYJDQT-HXUWFJFHSA-N 0 3 424.610 4.874 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053378 559093282 /nfs/dbraw/zinc/09/32/82/559093282.db2.gz YEEIVZRHFZXWKY-SFHVURJKSA-N 0 3 410.583 4.708 40 0 HJABHN CC(C)CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053519 559093684 /nfs/dbraw/zinc/09/36/84/559093684.db2.gz ITIFHBASLHSISH-NRFANRHFSA-N 0 3 424.560 4.889 40 0 HJABHN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCCN2Cc2ccccc2F)C1 ZINC000096071328 559094400 /nfs/dbraw/zinc/09/44/00/559094400.db2.gz MNSAMNRYRMNDDJ-HSZRJFAPSA-N 0 3 400.925 4.679 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 ZINC000072359718 559186226 /nfs/dbraw/zinc/18/62/26/559186226.db2.gz TWLKATWOGCRISI-JOCHJYFZSA-N 0 3 400.526 4.790 40 0 HJABHN CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2cccnc2)CC1 ZINC000257316449 559283017 /nfs/dbraw/zinc/28/30/17/559283017.db2.gz VFQBTVSWNDXKQT-UHFFFAOYSA-N 0 3 413.565 4.662 40 0 HJABHN C[C@]12CC[C@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004028098 560597275 /nfs/dbraw/zinc/59/72/75/560597275.db2.gz KBZHXUQCKRKJLU-HZLPDVBGSA-N 0 3 409.570 4.893 40 0 HJABHN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000102735276 560731671 /nfs/dbraw/zinc/73/16/71/560731671.db2.gz HKJYIXSCILEBFO-IPMKNSEASA-N 0 3 419.308 4.862 40 0 HJABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(I)c1 ZINC000017092095 560866826 /nfs/dbraw/zinc/86/68/26/560866826.db2.gz UFEGNUBPYLUVNL-UHFFFAOYSA-N 0 3 420.294 4.529 40 0 HJABHN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)CCN5CCCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000118920404 560869552 /nfs/dbraw/zinc/86/95/52/560869552.db2.gz HKTXNASFTOEERZ-VZDBEYJMSA-N 0 3 413.602 4.916 40 0 HJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000005093323 568433222 /nfs/dbraw/zinc/43/32/22/568433222.db2.gz TXMYRMUHOJDGJQ-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN CCN(CC)CCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000022075580 568473922 /nfs/dbraw/zinc/47/39/22/568473922.db2.gz RDBCEWKSCQWTRN-UHFFFAOYSA-N 0 3 409.343 4.599 40 0 HJABHN C[C@H]1CCCCN1Cc1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 ZINC000057776098 568497553 /nfs/dbraw/zinc/49/75/53/568497553.db2.gz RYRHRYSOOYIWDJ-SFHVURJKSA-N 0 3 411.977 4.785 40 0 HJABHN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C1CCCCC1 ZINC000223086483 568537052 /nfs/dbraw/zinc/53/70/52/568537052.db2.gz FPODIQQJFLFBDS-VXKWHMMOSA-N 0 3 403.555 4.573 40 0 HJABHN O=C(NCCOc1cccc2ccccc21)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223569240 568551912 /nfs/dbraw/zinc/55/19/12/568551912.db2.gz GMGKOWBAJZEUGX-OAQYLSRUSA-N 0 3 422.956 4.900 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCOc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000224529672 568583723 /nfs/dbraw/zinc/58/37/23/568583723.db2.gz LZBTVZHNXFBOEE-UHFFFAOYSA-N 0 3 408.586 4.700 40 0 HJABHN O=C(CCCOc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000224827843 568598897 /nfs/dbraw/zinc/59/88/97/568598897.db2.gz ARAWOMCZMDFSAY-UHFFFAOYSA-N 0 3 400.950 4.801 40 0 HJABHN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224832093 568599114 /nfs/dbraw/zinc/59/91/14/568599114.db2.gz YGAOENBGKKUDBP-HXUWFJFHSA-N 0 3 402.538 4.909 40 0 HJABHN C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000225901040 568684556 /nfs/dbraw/zinc/68/45/56/568684556.db2.gz ABWVONLBYQGXMU-SJLPKXTDSA-N 0 3 413.359 4.639 40 0 HJABHN CCn1cc(CN2CCC(c3cc(Nc4cccc(C)n4)cc(C)n3)CC2)c(C)n1 ZINC000257207965 568778427 /nfs/dbraw/zinc/77/84/27/568778427.db2.gz BKBVOPGFNBPBIE-UHFFFAOYSA-N 0 3 404.562 4.741 40 0 HJABHN O=C(Nc1cc(CCC2CCN(Cc3ccccn3)CC2)ccn1)c1ccc(F)cc1 ZINC000257270022 568795514 /nfs/dbraw/zinc/79/55/14/568795514.db2.gz MSMLXSDSBXZAOZ-UHFFFAOYSA-N 0 3 418.516 4.713 40 0 HJABHN Cc1cccnc1Nc1cncc(C2CCN(Cc3ccc4ncccc4c3)CC2)n1 ZINC000257342791 568817108 /nfs/dbraw/zinc/81/71/08/568817108.db2.gz ZQECRNJBZMVERR-UHFFFAOYSA-N 0 3 410.525 4.851 40 0 HJABHN COC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C ZINC000008330653 569340039 /nfs/dbraw/zinc/34/00/39/569340039.db2.gz QASGEQQIYOCEKA-UHFFFAOYSA-N 0 3 414.505 4.592 40 0 HJABHN CC(C)Oc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019450856 569345487 /nfs/dbraw/zinc/34/54/87/569345487.db2.gz YQXYCXVLJBZQTO-ZJSXRUAMSA-N 0 3 423.601 4.984 40 0 HJABHN Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CN4CCOCC4)C=C3C)o2)cc1 ZINC000096617449 291274244 /nfs/dbraw/zinc/27/42/44/291274244.db2.gz DZPWFOXQGMGBGX-VABKMULXSA-N 0 3 409.574 4.774 40 0 biogenic,in-vitro HJABHN CCOc1ccc(CCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC ZINC000044946973 520946807 /nfs/dbraw/zinc/94/68/07/520946807.db2.gz LCOBVZWFISCMSO-UHFFFAOYSA-N 0 3 424.585 4.688 40 0 HJABHN CCOC(=O)c1cc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)ccc1Cl ZINC000044939634 521438468 /nfs/dbraw/zinc/43/84/68/521438468.db2.gz FFKBJHITHXOSFG-UHFFFAOYSA-N 0 3 414.933 4.676 40 0 HJABHN CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)ccc1Cl ZINC000044939665 521438593 /nfs/dbraw/zinc/43/85/93/521438593.db2.gz RYVGTIYDSOILSC-UHFFFAOYSA-N 0 3 418.896 4.507 40 0 HJABHN CCOC(=O)c1cc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)ccc1Cl ZINC000044939615 521440511 /nfs/dbraw/zinc/44/05/11/521440511.db2.gz SLENRXJESSPNFU-INIZCTEOSA-N 0 3 418.896 4.507 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 ZINC000044855225 524436802 /nfs/dbraw/zinc/43/68/02/524436802.db2.gz AOPDXRLFFAOOBM-HSZRJFAPSA-N 0 3 406.570 4.934 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 ZINC000044855376 524436906 /nfs/dbraw/zinc/43/69/06/524436906.db2.gz KFLKSMXWDQCILN-QHCPKHFHSA-N 0 3 406.570 4.934 40 0 HJABHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044855362 526173782 /nfs/dbraw/zinc/17/37/82/526173782.db2.gz DXYWFGYPDCIKGT-DENIHFKCSA-N 0 3 410.533 4.765 40 0 HJABHN CN(Cc1ccccc1)C[C@@H](O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000019586521 536481823 /nfs/dbraw/zinc/48/18/23/536481823.db2.gz IFWGEOSMPBRJOL-RUZDIDTESA-N 0 3 418.512 4.584 40 0 HJABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000035289826 557673010 /nfs/dbraw/zinc/67/30/10/557673010.db2.gz KWPSSTUSOWDMBM-JCONFUPYSA-N 0 3 422.613 4.913 40 0 HJABHN O=C(NCCSCc1c(F)cccc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000039750194 558687030 /nfs/dbraw/zinc/68/70/30/558687030.db2.gz RKMDBDAMAVFFDZ-UHFFFAOYSA-N 0 3 420.981 4.741 40 0 HJABHN COc1cc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c(OC)cc1Cl ZINC000039755362 558687432 /nfs/dbraw/zinc/68/74/32/558687432.db2.gz LDGUZIMELVPNIS-UHFFFAOYSA-N 0 3 402.922 4.516 40 0 HJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C1=O ZINC000101030022 558825389 /nfs/dbraw/zinc/82/53/89/558825389.db2.gz BSNNENDIYSJYIY-ZCNNSNEGSA-N 0 3 424.909 4.761 40 0 HJABHN CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc3ncccc23)CC1 ZINC000019082069 558840022 /nfs/dbraw/zinc/84/00/22/558840022.db2.gz PAWVZUYKVPMTOV-DEOSSOPVSA-N 0 3 416.569 4.745 40 0 HJABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019219228 558851325 /nfs/dbraw/zinc/85/13/25/558851325.db2.gz BNUYXGDPPAFICD-PKTZIBPZSA-N 0 3 409.570 4.677 40 0 HJABHN Cc1cccc2c1[nH]c([C@@H]1CCCN(C(=O)[C@H](C)N3CCCC3)C1)c2-c1ccncc1 ZINC000019236512 558855589 /nfs/dbraw/zinc/85/55/89/558855589.db2.gz YFAWISKYCNSWKX-PZJWPPBQSA-N 0 3 416.569 4.729 40 0 HJABHN Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019236819 558855865 /nfs/dbraw/zinc/85/58/65/558855865.db2.gz CYNZVDQDPCZVBW-PXDATVDWSA-N 0 3 417.528 4.912 40 0 HJABHN Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019236824 558855904 /nfs/dbraw/zinc/85/59/04/558855904.db2.gz MHGQPPKWKXRZQY-BWKNWUBXSA-N 0 3 417.528 4.912 40 0 HJABHN Cc1cnccc1CN1CCC[C@@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019239513 558858083 /nfs/dbraw/zinc/85/80/83/558858083.db2.gz HQGVALUAZOPNKE-QRVBRYPASA-N 0 3 417.548 4.787 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000013750934 558864045 /nfs/dbraw/zinc/86/40/45/558864045.db2.gz MUTCSHDRYWFKDV-SDHOMARFSA-N 0 3 420.468 4.891 40 0 HJABHN O=C(Cn1cc(CNC2(c3ccccc3F)CCCC2)c2ccccc21)NC1CC1 ZINC000019376117 558882336 /nfs/dbraw/zinc/88/23/36/558882336.db2.gz YTXKDURFJZBQIO-UHFFFAOYSA-N 0 3 405.517 4.618 40 0 HJABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000072330411 558934584 /nfs/dbraw/zinc/93/45/84/558934584.db2.gz KRJQTASYDODNQU-XXBNENTESA-N 0 3 421.566 4.535 40 0 HJABHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000072361052 558955921 /nfs/dbraw/zinc/95/59/21/558955921.db2.gz VDQDNTOOLLNHAD-JOCHJYFZSA-N 0 3 417.528 4.969 40 0 HJABHN Cn1cc(CN2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000019690308 558959569 /nfs/dbraw/zinc/95/95/69/558959569.db2.gz ZTJMPQXKZLCCCE-HXUWFJFHSA-N 0 3 414.475 4.804 40 0 HJABHN COc1ccc(CN2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000072373153 558960841 /nfs/dbraw/zinc/96/08/41/558960841.db2.gz NIGFCWPBZVFLLQ-OFNKIYASSA-N 0 3 409.574 4.738 40 0 HJABHN COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)cc1 ZINC000096053323 559093157 /nfs/dbraw/zinc/09/31/57/559093157.db2.gz ONUQZAZVBXDEQP-OAQYLSRUSA-N 0 3 422.569 4.511 40 0 HJABHN CC(C)CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053518 559093744 /nfs/dbraw/zinc/09/37/44/559093744.db2.gz ITIFHBASLHSISH-OAQYLSRUSA-N 0 3 424.560 4.889 40 0 HJABHN COc1ccccc1-c1ccccc1CN1CCC[C@@H]1c1ccc(CNC(C)=O)cn1 ZINC000585261838 559109544 /nfs/dbraw/zinc/10/95/44/559109544.db2.gz VGAVYXJTUKBZBU-RUZDIDTESA-N 0 3 415.537 4.730 40 0 HJABHN O[C@@]1(COc2ccc(Cl)cc2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585282010 559119787 /nfs/dbraw/zinc/11/97/87/559119787.db2.gz FMJNWMLOUWFYQV-KIFXHHALSA-N 0 3 415.961 4.509 40 0 HJABHN CC(C)(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514289881 560031421 /nfs/dbraw/zinc/03/14/21/560031421.db2.gz PQOJWYDJWSGHQJ-SXWKCWPCSA-N 0 3 418.578 4.620 40 0 biogenic,in-vitro HJABHN CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000102736300 560731659 /nfs/dbraw/zinc/73/16/59/560731659.db2.gz XMMKDNVRLXROGB-XUFNMVPLSA-N 0 3 410.489 4.721 40 0 HJABHN CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000102736293 560731796 /nfs/dbraw/zinc/73/17/96/560731796.db2.gz XMMKDNVRLXROGB-ZINXYGQCSA-N 0 3 410.489 4.721 40 0 HJABHN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219052250 568486417 /nfs/dbraw/zinc/48/64/17/568486417.db2.gz JQQQYRPTBIJMJL-SFHVURJKSA-N 0 3 404.510 4.719 40 0 HJABHN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000219237006 568488269 /nfs/dbraw/zinc/48/82/69/568488269.db2.gz GADKQQAMNSOXHG-UHFFFAOYSA-N 0 3 424.570 4.692 40 0 HJABHN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000223036444 568535164 /nfs/dbraw/zinc/53/51/64/568535164.db2.gz UXOOPVZRGCHCFE-QFIPXVFZSA-N 0 3 416.949 4.918 40 0 HJABHN O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223414369 568547965 /nfs/dbraw/zinc/54/79/65/568547965.db2.gz LLXZOQUTYMSECZ-UHFFFAOYSA-N 0 3 404.941 4.871 40 0 HJABHN O=C(NCCOc1cccc2ccccc21)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223569308 568551945 /nfs/dbraw/zinc/55/19/45/568551945.db2.gz GMGKOWBAJZEUGX-NRFANRHFSA-N 0 3 422.956 4.900 40 0 HJABHN COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OCc1ccccc1 ZINC000019900064 568585397 /nfs/dbraw/zinc/58/53/97/568585397.db2.gz ZZVRTZNHXPQCIY-VJTSUQJLSA-N 0 3 418.581 4.604 40 0 HJABHN O=C(CSCc1cccc(Cl)c1)NCc1ccccc1CN1CCCCC1 ZINC000224806698 568597931 /nfs/dbraw/zinc/59/79/31/568597931.db2.gz QNZWIUXTQRANOB-UHFFFAOYSA-N 0 3 402.991 4.876 40 0 HJABHN CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225715113 568667054 /nfs/dbraw/zinc/66/70/54/568667054.db2.gz GMQQFSBSJNCBED-RDPSFJRHSA-N 0 3 402.579 4.721 40 0 HJABHN O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257341748 568816556 /nfs/dbraw/zinc/81/65/56/568816556.db2.gz ZLUZWCZNQIWZFY-LJQANCHMSA-N 0 3 415.965 4.501 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000100122155 569012045 /nfs/dbraw/zinc/01/20/45/569012045.db2.gz UATSXNGJSNRLHJ-HKBOAZHASA-N 0 3 422.843 4.530 40 0 HJABHN CC(C)Oc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019450858 569345490 /nfs/dbraw/zinc/34/54/90/569345490.db2.gz YQXYCXVLJBZQTO-XUZZJYLKSA-N 0 3 423.601 4.984 40 0 HJABHN NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccc2Cl)CC1 ZINC000019700334 569347181 /nfs/dbraw/zinc/34/71/81/569347181.db2.gz KAYLYNDAPULZBT-UHFFFAOYSA-N 0 3 419.956 4.712 40 0 HJABHN CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044916455 519778954 /nfs/dbraw/zinc/77/89/54/519778954.db2.gz SLMZOWVSDVZZCP-QFIPXVFZSA-N 0 3 412.549 4.574 40 0 HJABHN CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000044882684 519783099 /nfs/dbraw/zinc/78/30/99/519783099.db2.gz XNSOHZHCFGWQLW-UHFFFAOYSA-N 0 3 414.549 4.962 40 0 HJABHN CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000044851587 520475514 /nfs/dbraw/zinc/47/55/14/520475514.db2.gz RGFVQGSUVBDVHL-UHFFFAOYSA-N 0 3 408.586 4.745 40 0 HJABHN CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856869 522532133 /nfs/dbraw/zinc/53/21/33/522532133.db2.gz RWBRMFMGDAOTME-QFIPXVFZSA-N 0 3 410.558 4.817 40 0 HJABHN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000044852977 525430129 /nfs/dbraw/zinc/43/01/29/525430129.db2.gz JGRIOVAOKKKOIR-OAQYLSRUSA-N 0 3 414.549 4.751 40 0 HJABHN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855211 526205753 /nfs/dbraw/zinc/20/57/53/526205753.db2.gz FEHJMIGOEQMILR-DENIHFKCSA-N 0 3 410.533 4.765 40 0 HJABHN C[N+]1=C(C=Cc2ccc([O-])cc2I)C(C)(C)c2ccccc21 ZINC000004769196 557596145 /nfs/dbraw/zinc/59/61/45/557596145.db2.gz SYHOYOWLMCPXEV-UHFFFAOYSA-O 0 3 404.271 4.716 40 0 HJABHN Nc1ncnc2nc([C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743217 558263775 /nfs/dbraw/zinc/26/37/75/558263775.db2.gz OWKGSBIENCYALF-CYBMUJFWSA-N 0 3 421.854 4.659 40 0 HJABHN Cn1cccc1CN1CCC2(C[C@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000012086197 558321622 /nfs/dbraw/zinc/32/16/22/558321622.db2.gz KKLXARNVRJOJDV-XMMPIXPASA-N 0 3 422.960 4.545 40 0 HJABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293617 558366822 /nfs/dbraw/zinc/36/68/22/558366822.db2.gz PDVZPDYYEXQMRW-RPWUZVMVSA-N 0 3 403.522 4.532 40 0 HJABHN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329843 558384870 /nfs/dbraw/zinc/38/48/70/558384870.db2.gz LDSKHFAHKGVVLZ-VQTJNVASSA-N 0 3 422.352 4.686 40 0 HJABHN CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000027911237 558684542 /nfs/dbraw/zinc/68/45/42/558684542.db2.gz QXJSPPFTSSFHLP-KRWDZBQOSA-N 0 3 409.412 4.994 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000039753794 558687236 /nfs/dbraw/zinc/68/72/36/558687236.db2.gz USGHPSSGBHWTAT-UHFFFAOYSA-N 0 3 408.586 4.743 40 0 HJABHN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000030852423 558740447 /nfs/dbraw/zinc/74/04/47/558740447.db2.gz YDUHZLNRXHKYBT-LJQANCHMSA-N 0 3 400.522 4.745 40 0 HJABHN O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038836878 558818085 /nfs/dbraw/zinc/81/80/85/558818085.db2.gz SRNSUDAEPCHPEO-QGZVFWFLSA-N 0 3 406.954 4.600 40 0 HJABHN Cc1cccc(CSCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000038851588 558818866 /nfs/dbraw/zinc/81/88/66/558818866.db2.gz MQGFDYITRAHEDE-OAQYLSRUSA-N 0 3 417.018 4.910 40 0 HJABHN Cc1cccc(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 ZINC000039964025 558823008 /nfs/dbraw/zinc/82/30/08/558823008.db2.gz HIBXGCTUDVNRKZ-QHCPKHFHSA-N 0 3 424.504 4.504 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000100984831 558824538 /nfs/dbraw/zinc/82/45/38/558824538.db2.gz LWGQZJYYCUEDKM-DSITVLBTSA-N 0 3 420.468 4.891 40 0 HJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000101028597 558825263 /nfs/dbraw/zinc/82/52/63/558825263.db2.gz TXMYRMUHOJDGJQ-FKBYEOEOSA-N 0 3 418.880 4.700 40 0 HJABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000019020576 558837767 /nfs/dbraw/zinc/83/77/67/558837767.db2.gz OFTAUEYQPWSECK-SANMLTNESA-N 0 3 417.528 4.977 40 0 HJABHN COc1ccc(CN2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000019081725 558839747 /nfs/dbraw/zinc/83/97/47/558839747.db2.gz NIGFCWPBZVFLLQ-NZQKXSOJSA-N 0 3 409.574 4.738 40 0 HJABHN COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CCN(Cc4cccs4)C[C@@H]32)c1 ZINC000019081660 558839753 /nfs/dbraw/zinc/83/97/53/558839753.db2.gz PIVCBYUEJJWUMR-YPAWHYETSA-N 0 3 412.599 4.619 40 0 HJABHN Cc1cc(C[C@@H]2CCC[C@H]2NCc2nc3ccccc3n2Cc2ccccc2)on1 ZINC000019120600 558843025 /nfs/dbraw/zinc/84/30/25/558843025.db2.gz BJKAYJBFAVQRLI-RBBKRZOGSA-N 0 3 400.526 4.882 40 0 HJABHN O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349213 558874948 /nfs/dbraw/zinc/87/49/48/558874948.db2.gz YPKKYOIQCDURHM-ZJOUEHCJSA-N 0 3 400.975 4.628 40 0 HJABHN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1 ZINC000019449568 558888003 /nfs/dbraw/zinc/88/80/03/558888003.db2.gz WXRSGCCTDRYSMQ-VWLOTQADSA-N 0 3 419.594 4.770 40 0 HJABHN CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4C)C3)cc2N1 ZINC000019500877 558898738 /nfs/dbraw/zinc/89/87/38/558898738.db2.gz RWCYJNURQPBREZ-AOIWGVFYSA-N 0 3 407.484 4.664 40 0 HJABHN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000019522017 558903236 /nfs/dbraw/zinc/90/32/36/558903236.db2.gz XUTPVSYHSFFMKW-CQSZACIVSA-N 0 3 404.436 4.887 40 0 HJABHN COc1cc(C)c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1C ZINC000019567270 558926684 /nfs/dbraw/zinc/92/66/84/558926684.db2.gz RCEHUROTKZUMJL-DEOSSOPVSA-N 0 3 423.601 4.823 40 0 HJABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000019568873 558927950 /nfs/dbraw/zinc/92/79/50/558927950.db2.gz PXKLTANHUDJYHZ-ZDUSSCGKSA-N 0 3 421.467 4.950 40 0 HJABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccsc2)C1 ZINC000019568969 558928044 /nfs/dbraw/zinc/92/80/44/558928044.db2.gz NCCGPZKAXYQFCC-WMZHIEFXSA-N 0 3 421.566 4.535 40 0 HJABHN COc1cccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568895 558928048 /nfs/dbraw/zinc/92/80/48/558928048.db2.gz JUQSXCZCBFQKIE-OAHLLOKOSA-N 0 3 405.420 4.938 40 0 HJABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000072330407 558934558 /nfs/dbraw/zinc/93/45/58/558934558.db2.gz LUQCUPUKHROZKV-AVRDEDQJSA-N 0 3 409.530 4.666 40 0 HJABHN Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@@H]1c1cc(-c2cnc(N)nc2)cc(C)n1 ZINC000019690966 558960466 /nfs/dbraw/zinc/96/04/66/558960466.db2.gz FZDWAVUWWJSURD-HSZRJFAPSA-N 0 3 416.504 4.695 40 0 HJABHN COc1ccc(-c2cccc(CN3CCC[C@H]3c3ccc(C(N)=O)c(C)n3)c2)cc1 ZINC000019711145 558973500 /nfs/dbraw/zinc/97/35/00/558973500.db2.gz AQPJOVNHMACDRM-DEOSSOPVSA-N 0 3 401.510 4.502 40 0 HJABHN CC(C)Oc1ccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000072398592 558975950 /nfs/dbraw/zinc/97/59/50/558975950.db2.gz DNRLMGSKDNJJNY-URXFXBBRSA-N 0 3 423.601 4.984 40 0 HJABHN COc1ccc(CN2CCC3(CC2)c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000096052533 559092310 /nfs/dbraw/zinc/09/23/10/559092310.db2.gz VEDDINNYUZGQMY-UHFFFAOYSA-N 0 3 412.533 4.776 40 0 HJABHN CC(C)CNC(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053510 559093558 /nfs/dbraw/zinc/09/35/58/559093558.db2.gz KMFULCUSOCOWDQ-HXUWFJFHSA-N 0 3 412.599 4.811 40 0 HJABHN COc1ccccc1CN1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290348 559122938 /nfs/dbraw/zinc/12/29/38/559122938.db2.gz QMFQXSKBKDHHGD-HNNXBMFYSA-N 0 3 418.419 4.539 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000100626368 559137066 /nfs/dbraw/zinc/13/70/66/559137066.db2.gz FNZHQOGUUKMVSU-UFYCRDLUSA-N 0 3 424.909 4.761 40 0 HJABHN COC(=O)/C=C1\CC[C@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118928981 559206314 /nfs/dbraw/zinc/20/63/14/559206314.db2.gz WWWFGNPHCWUJER-CMRVGPCMSA-N 0 3 409.570 4.817 40 0 HJABHN COC(=O)/C=C1/CC[C@H]2[C@@H]3CC=C4C=C(N5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118928984 559206325 /nfs/dbraw/zinc/20/63/25/559206325.db2.gz WWWFGNPHCWUJER-IOMCXBSKSA-N 0 3 409.570 4.817 40 0 HJABHN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219036796 568486138 /nfs/dbraw/zinc/48/61/38/568486138.db2.gz DCUHNKFETSLXOB-SFHVURJKSA-N 0 3 404.510 4.719 40 0 HJABHN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1C1CCCCC1 ZINC000223086538 568537164 /nfs/dbraw/zinc/53/71/64/568537164.db2.gz FPODIQQJFLFBDS-YADHBBJMSA-N 0 3 403.555 4.573 40 0 HJABHN CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000223717875 568557293 /nfs/dbraw/zinc/55/72/93/568557293.db2.gz GGEXZHJNOMBIEG-UHFFFAOYSA-N 0 3 412.549 4.530 40 0 HJABHN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000225288813 568627950 /nfs/dbraw/zinc/62/79/50/568627950.db2.gz YTJHCVVWFFJUED-VWLOTQADSA-N 0 3 422.569 4.835 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC3(CC2)Oc2cc(C)ccc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257224115 568783377 /nfs/dbraw/zinc/78/33/77/568783377.db2.gz FAJXVILZGKZGDA-UKILVPOCSA-N 0 3 420.553 4.848 40 0 HJABHN CC[NH+](CC)CCCNC(=O)c1ccc2c(c1[O-])[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)O2 ZINC000257237165 568786785 /nfs/dbraw/zinc/78/67/85/568786785.db2.gz HFKFPZJAKQJEQI-BHIYHBOVSA-N 0 3 402.579 4.545 40 0 HJABHN Cc1cccc(Nc2cncc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)n1 ZINC000257242334 568788174 /nfs/dbraw/zinc/78/81/74/568788174.db2.gz IBYQZSLSIBJVIP-UHFFFAOYSA-N 0 3 410.525 4.851 40 0 HJABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCC3CC[NH+](C)CC3)c1[O-])OC2(C)C ZINC000257297865 568803780 /nfs/dbraw/zinc/80/37/80/568803780.db2.gz RJCMJBGOIAVTPF-NSISKUIASA-N 0 3 414.590 4.545 40 0 HJABHN CCOc1ccccc1CN1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000006790961 568936870 /nfs/dbraw/zinc/93/68/70/568936870.db2.gz FQWIETFSWUKQHB-VWLOTQADSA-N 0 3 420.597 4.779 40 0 HJABHN COc1ccc(OC[C@H](O)CN2CCC(Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000006306037 569009396 /nfs/dbraw/zinc/00/93/96/569009396.db2.gz IFXDKELIMFGTJX-JOCHJYFZSA-N 0 3 411.586 4.687 40 0 HJABHN C[C@@H]1Cc2cc(CN3CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000019498191 569345561 /nfs/dbraw/zinc/34/55/61/569345561.db2.gz SWRULZWHTDBBPH-DRMXPCRNSA-N 0 3 421.585 4.521 40 0 HJABHN COc1ccc(OCc2sc([C@@]3(O)CCCN(CC(C)(C)C)CC3)nc2C)cc1 ZINC000019705276 569347902 /nfs/dbraw/zinc/34/79/02/569347902.db2.gz ZLDZQMCAMRNOQI-HSZRJFAPSA-N 0 3 418.603 4.759 40 0 HJABHN CC1CCN(Cc2cccc(NC(=O)[C@@]3(C)CC(c4ccccc4F)=NO3)c2)CC1 ZINC000141567118 571132349 /nfs/dbraw/zinc/13/23/49/571132349.db2.gz HXVMYSQBBNWGGV-XMMPIXPASA-N 0 3 409.505 4.579 40 0 HJABHN CC1=C[C@@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000096617451 291274233 /nfs/dbraw/zinc/27/42/33/291274233.db2.gz LGKRCSMESNCLNG-ZJOUEHCJSA-N 0 3 413.537 4.605 40 0 biogenic,in-vitro HJABHN CC(C)Oc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044932167 519779504 /nfs/dbraw/zinc/77/95/04/519779504.db2.gz NJPUMDCCHBCZBP-FQEVSTJZSA-N 0 3 400.950 4.656 40 0 HJABHN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1Cl ZINC000044939854 521491549 /nfs/dbraw/zinc/49/15/49/521491549.db2.gz FDGMBGCELHECPF-UHFFFAOYSA-N 0 3 414.933 4.676 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 ZINC000044855375 524437617 /nfs/dbraw/zinc/43/76/17/524437617.db2.gz KFLKSMXWDQCILN-HSZRJFAPSA-N 0 3 406.570 4.934 40 0 HJABHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044855396 526174082 /nfs/dbraw/zinc/17/40/82/526174082.db2.gz QYTYYMPSURVJOR-JOCHJYFZSA-N 0 3 410.533 4.765 40 0 HJABHN CC1CCN(Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)CC1 ZINC000020451271 558365772 /nfs/dbraw/zinc/36/57/72/558365772.db2.gz JEYBPZXZRLYYJO-UHFFFAOYSA-N 0 3 400.563 4.721 40 0 HJABHN COc1ccc(CN(Cc2ccc(C)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000012366517 558388495 /nfs/dbraw/zinc/38/84/95/558388495.db2.gz XCCNPGGMLRGQHZ-RCZVLFRGSA-N 0 3 406.526 4.560 40 0 HJABHN COc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022075748 558462538 /nfs/dbraw/zinc/46/25/38/558462538.db2.gz UGSKUBZVQBGNSB-UHFFFAOYSA-N 0 3 417.764 4.886 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1 ZINC000039753413 558687243 /nfs/dbraw/zinc/68/72/43/558687243.db2.gz YBVMSPIFGBXAAZ-UHFFFAOYSA-N 0 3 401.348 4.917 40 0 HJABHN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038833932 558817413 /nfs/dbraw/zinc/81/74/13/558817413.db2.gz JZOXUMKJFLECCL-HNNXBMFYSA-N 0 3 407.739 4.953 40 0 HJABHN C[C@@H]1CCCC[C@H]1N1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000039964060 558823002 /nfs/dbraw/zinc/82/30/02/558823002.db2.gz RKURYZYBBQHUCF-QFIXIFRTSA-N 0 3 420.488 4.671 40 0 HJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000101012839 558825135 /nfs/dbraw/zinc/82/51/35/558825135.db2.gz GRYBUPGQWXZFDB-HJOGWXRNSA-N 0 3 412.489 4.609 40 0 HJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000101012848 558825153 /nfs/dbraw/zinc/82/51/53/558825153.db2.gz GRYBUPGQWXZFDB-VXNXHJTFSA-N 0 3 412.489 4.609 40 0 HJABHN Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Cl)c2)c1 ZINC000101089510 558826894 /nfs/dbraw/zinc/82/68/94/558826894.db2.gz GVADMOBWKCUKNK-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@H]3C2=O)c1 ZINC000101089510 558826896 /nfs/dbraw/zinc/82/68/96/558826896.db2.gz GVADMOBWKCUKNK-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(Cc3ccc(F)cc3)CC2)on1 ZINC000019123228 558844017 /nfs/dbraw/zinc/84/40/17/558844017.db2.gz FFUBRTLNEUMULF-UHFFFAOYSA-N 0 3 409.509 4.779 40 0 HJABHN Cc1cccc2c1[nH]c([C@H]1CCCN(C(=O)[C@@H](C)N3CCCC3)C1)c2-c1ccncc1 ZINC000019236513 558855604 /nfs/dbraw/zinc/85/56/04/558855604.db2.gz YFAWISKYCNSWKX-CTNGQTDRSA-N 0 3 416.569 4.729 40 0 HJABHN Cc1ccnc(-n2cccc2CN(CCCn2ccnc2)Cc2cccc(F)c2)c1 ZINC000019238213 558857282 /nfs/dbraw/zinc/85/72/82/558857282.db2.gz OPOIFOCWBOUVHS-UHFFFAOYSA-N 0 3 403.505 4.609 40 0 HJABHN FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCN3C[C@@H]3CCOC3)nn21 ZINC000019344177 558872738 /nfs/dbraw/zinc/87/27/38/558872738.db2.gz UQQTWWUFYFFZMD-BBRMVZONSA-N 0 3 422.476 4.650 40 0 HJABHN COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4cccs4)C[C@@H]32)cc1 ZINC000019557780 558919736 /nfs/dbraw/zinc/91/97/36/558919736.db2.gz OSHXPIQEQUMUGV-WXFUMESZSA-N 0 3 424.610 4.763 40 0 HJABHN Cc1noc2nc([C@H]3CCCN(Cc4c[nH]nc4C(C)(C)C)C3)cc(C(F)F)c12 ZINC000019564304 558924422 /nfs/dbraw/zinc/92/44/22/558924422.db2.gz DCIURIMEACDTJB-ZDUSSCGKSA-N 0 3 403.477 4.869 40 0 HJABHN COc1ccccc1CN1CCC([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019570099 558928895 /nfs/dbraw/zinc/92/88/95/558928895.db2.gz DKGNZXGTOMIJHE-SANMLTNESA-N 0 3 421.585 4.740 40 0 HJABHN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072345960 558942505 /nfs/dbraw/zinc/94/25/05/558942505.db2.gz BLZWHMCJTFGZRN-KRWDZBQOSA-N 0 3 413.447 4.519 40 0 HJABHN Cc1ccccc1OCCN1CC[C@@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000072352319 558948583 /nfs/dbraw/zinc/94/85/83/558948583.db2.gz IJBLUPGTLKHKGL-GOSISDBHSA-N 0 3 408.567 4.780 40 0 HJABHN COc1ccccc1Cc1cccc([C@H]2CCCN2Cc2ccc(NC(C)=O)cc2)n1 ZINC000072358114 558953934 /nfs/dbraw/zinc/95/39/34/558953934.db2.gz IKENOUOBJCEGSY-RUZDIDTESA-N 0 3 415.537 4.977 40 0 HJABHN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000019702211 558967484 /nfs/dbraw/zinc/96/74/84/558967484.db2.gz KXZDMDMWAREAJA-KRWDZBQOSA-N 0 3 416.550 4.536 40 0 HJABHN CC1CCN(CC(=O)N2CCC[C@H](c3[nH]c4ccccc4c3-c3ccncc3)C2)CC1 ZINC000072396384 558975417 /nfs/dbraw/zinc/97/54/17/558975417.db2.gz CMXMGZAFDBZNJY-NRFANRHFSA-N 0 3 416.569 4.668 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053220 559093121 /nfs/dbraw/zinc/09/31/21/559093121.db2.gz NJYKZDDXOAIPHQ-NRFANRHFSA-N 0 3 422.544 4.739 40 0 HJABHN Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)s1 ZINC000096053319 559093207 /nfs/dbraw/zinc/09/32/07/559093207.db2.gz VCAXXYWGMVWZKC-IBGZPJMESA-N 0 3 412.599 4.872 40 0 HJABHN O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCCN2Cc2ccccc2F)C1 ZINC000096071329 559094356 /nfs/dbraw/zinc/09/43/56/559094356.db2.gz MNSAMNRYRMNDDJ-QHCPKHFHSA-N 0 3 400.925 4.679 40 0 HJABHN COc1ccc(-c2nc(C3CCN(Cc4ccco4)CC3)cc3c2ncn3C)cc1 ZINC000096099976 559095275 /nfs/dbraw/zinc/09/52/75/559095275.db2.gz WHSXNFKXSNVLNB-UHFFFAOYSA-N 0 3 402.498 4.617 40 0 HJABHN Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(-c4cnn(C)c4)n3)CC2)o1 ZINC000096100048 559095448 /nfs/dbraw/zinc/09/54/48/559095448.db2.gz RWRJDNGVSNPKMV-UHFFFAOYSA-N 0 3 418.545 4.694 40 0 HJABHN Clc1ccc2ncc(-c3cccc([C@H]4CCCN(Cc5ccccn5)C4)n3)n2c1 ZINC000585262951 559111566 /nfs/dbraw/zinc/11/15/66/559111566.db2.gz RGCVMPOGJHAWDD-KRWDZBQOSA-N 0 3 403.917 4.824 40 0 HJABHN COc1cccc(-c2nccnc2[C@@H]2CCCN(CCOc3ccc(F)cc3)C2)c1 ZINC000072359003 559186039 /nfs/dbraw/zinc/18/60/39/559186039.db2.gz PGWDHPHGQLVFAY-LJQANCHMSA-N 0 3 407.489 4.550 40 0 HJABHN COc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Br ZINC000006297098 560741494 /nfs/dbraw/zinc/74/14/94/560741494.db2.gz PJRUZUGYCKYHGT-UHFFFAOYSA-N 0 3 403.320 4.696 40 0 HJABHN COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OCc1ccccc1 ZINC000019900066 568585428 /nfs/dbraw/zinc/58/54/28/568585428.db2.gz ZZVRTZNHXPQCIY-PZUNEJSGSA-N 0 3 418.581 4.604 40 0 HJABHN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836984 568599300 /nfs/dbraw/zinc/59/93/00/568599300.db2.gz CUMBWZQMYUSGEA-JOCHJYFZSA-N 0 3 400.950 4.800 40 0 HJABHN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840977 568599604 /nfs/dbraw/zinc/59/96/04/568599604.db2.gz JYDBOQDGBKXEJD-QFIPXVFZSA-N 0 3 400.950 4.800 40 0 HJABHN CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccncc2)CC1 ZINC000257249484 568790073 /nfs/dbraw/zinc/79/00/73/568790073.db2.gz JIPCNDBXJCEBES-UHFFFAOYSA-N 0 3 419.594 4.771 40 0 HJABHN Cc1ccccc1CN1CCCC[C@H]1c1[nH]ncc1C(=O)N(C)Cc1ccccc1 ZINC000257298201 568804060 /nfs/dbraw/zinc/80/40/60/568804060.db2.gz RKPPATMXPDPCNO-QHCPKHFHSA-N 0 3 402.542 4.718 40 0 HJABHN C[C@@H]1CCCC[C@@H]1N1C(=O)C(CC(=O)Nc2ccccc2)n2c3ccccc3nc21 ZINC000248074438 569316080 /nfs/dbraw/zinc/31/60/80/569316080.db2.gz ARQJGEPDWWYSNZ-PBEJRMEISA-N 0 3 402.498 4.532 40 0 HJABHN C[C@H](CN1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000019456117 569345432 /nfs/dbraw/zinc/34/54/32/569345432.db2.gz AMPDDSIZYOYEQN-SYYKKAFVSA-N 0 3 420.582 4.525 40 0 HJABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000018087048 569383551 /nfs/dbraw/zinc/38/35/51/569383551.db2.gz FNBXZQRPOLLYGF-OTWHNJEPSA-N 0 3 419.308 4.718 40 0 HJABHN CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccccc2)CC1 ZINC000019700209 569428586 /nfs/dbraw/zinc/42/85/86/569428586.db2.gz QZFXMGBRBDKXJJ-UHFFFAOYSA-N 0 3 413.565 4.662 40 0 HJABHN CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044916450 519778964 /nfs/dbraw/zinc/77/89/64/519778964.db2.gz SLMZOWVSDVZZCP-JOCHJYFZSA-N 0 3 412.549 4.574 40 0 HJABHN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1C ZINC000044911595 521543920 /nfs/dbraw/zinc/54/39/20/521543920.db2.gz LFXZYFWVRHFRII-SFHVURJKSA-N 0 3 414.933 4.676 40 0 HJABHN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000044855709 525553209 /nfs/dbraw/zinc/55/32/09/525553209.db2.gz APEOVFFJERCWAE-HSZRJFAPSA-N 0 3 422.569 4.959 40 0 HJABHN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000044855663 525553303 /nfs/dbraw/zinc/55/33/03/525553303.db2.gz FOIUUUHTFLRUOD-HSZRJFAPSA-N 0 3 422.569 4.634 40 0 HJABHN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000044855662 525553571 /nfs/dbraw/zinc/55/35/71/525553571.db2.gz MSCSMKNBPYHTDM-QHCPKHFHSA-N 0 3 422.569 4.634 40 0 HJABHN Cc1nc([C@H]2CCN(Cc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753210 558272554 /nfs/dbraw/zinc/27/25/54/558272554.db2.gz WKAIHQIWLPZFJI-SFHVURJKSA-N 0 3 406.917 4.680 40 0 HJABHN CCOc1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020492463 558378547 /nfs/dbraw/zinc/37/85/47/558378547.db2.gz HWZMFINMQIZDPO-UHFFFAOYSA-N 0 3 400.522 4.574 40 0 HJABHN Cc1ccc(SCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038836636 558818143 /nfs/dbraw/zinc/81/81/43/558818143.db2.gz CXNGCSIBJPAQOL-IBGZPJMESA-N 0 3 402.991 4.769 40 0 HJABHN C[C@H]1CCCC[C@@H]1N1C(=O)C(CC(=O)Nc2ccccc2)n2c3ccccc3nc21 ZINC000039964055 558823000 /nfs/dbraw/zinc/82/30/00/558823000.db2.gz ARQJGEPDWWYSNZ-NBHGPNQESA-N 0 3 402.498 4.532 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)cc1 ZINC000101074401 558826494 /nfs/dbraw/zinc/82/64/94/558826494.db2.gz CNTPOBMIWIPEHC-VSKRKVRLSA-N 0 3 418.880 4.700 40 0 HJABHN COc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)cc1 ZINC000019081625 558839806 /nfs/dbraw/zinc/83/98/06/558839806.db2.gz VRCYGJHTKUGRRK-YPAWHYETSA-N 0 3 412.599 4.619 40 0 HJABHN COc1ccc(CN2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000019081722 558839821 /nfs/dbraw/zinc/83/98/21/558839821.db2.gz NIGFCWPBZVFLLQ-NFBKMPQASA-N 0 3 409.574 4.738 40 0 HJABHN COc1ccc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC ZINC000019120481 558842893 /nfs/dbraw/zinc/84/28/93/558842893.db2.gz JAPMPYCAXLWCMT-JTHBVZDNSA-N 0 3 421.541 4.809 40 0 HJABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019219224 558851368 /nfs/dbraw/zinc/85/13/68/558851368.db2.gz BNUYXGDPPAFICD-DHIUTWEWSA-N 0 3 409.570 4.677 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)c1 ZINC000013757647 558865407 /nfs/dbraw/zinc/86/54/07/558865407.db2.gz GLTQFBFWISJYOZ-FKBYEOEOSA-N 0 3 418.880 4.700 40 0 HJABHN O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019400584 558883242 /nfs/dbraw/zinc/88/32/42/558883242.db2.gz AHYXWHRDNZKYSF-SQJMNOBHSA-N 0 3 409.549 4.871 40 0 HJABHN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4)C3)cc2n1 ZINC000019452288 558890103 /nfs/dbraw/zinc/89/01/03/558890103.db2.gz QMNCDPOBKVPWBZ-MRXNPFEDSA-N 0 3 403.452 4.646 40 0 HJABHN C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3CN2C1 ZINC000070707866 558893289 /nfs/dbraw/zinc/89/32/89/558893289.db2.gz NEMWYOKGHGSVSC-UKPYLRCASA-N 0 3 415.662 4.563 40 0 HJABHN COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330409 558934488 /nfs/dbraw/zinc/93/44/88/558934488.db2.gz BFNRFIIFQPRIMC-XXBNENTESA-N 0 3 421.566 4.535 40 0 HJABHN CN(C(=O)c1ccc(CN2CCCCC2)cc1)c1nc2c(s1)CCc1occc1-2 ZINC000072346980 558943655 /nfs/dbraw/zinc/94/36/55/558943655.db2.gz UMSCZMNTBKESHD-UHFFFAOYSA-N 0 3 407.539 4.764 40 0 HJABHN Cc1cc(-c2cncnc2)cc([C@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000072353747 558950931 /nfs/dbraw/zinc/95/09/31/558950931.db2.gz ZBSXBZPEWDOMKB-FQEVSTJZSA-N 0 3 414.553 4.940 40 0 HJABHN C[C@@H](N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 ZINC000095951574 559089446 /nfs/dbraw/zinc/08/94/46/559089446.db2.gz RQUOXSVJZAAWGN-WVCMQLSOSA-N 0 3 422.569 4.791 40 0 HJABHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccc(C)s1)CC2 ZINC000096037033 559090770 /nfs/dbraw/zinc/09/07/70/559090770.db2.gz MEXAICBMYYCSIP-UHFFFAOYSA-N 0 3 406.599 4.747 40 0 HJABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053472 559093549 /nfs/dbraw/zinc/09/35/49/559093549.db2.gz NBYLPEYVDGTPQM-OAQYLSRUSA-N 0 3 424.560 4.985 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(C)c3)C2)cc1 ZINC000072359045 559186083 /nfs/dbraw/zinc/18/60/83/559186083.db2.gz RJUPSXLYFDWKGR-JOCHJYFZSA-N 0 3 400.526 4.790 40 0 HJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 ZINC000257268613 559285050 /nfs/dbraw/zinc/28/50/50/559285050.db2.gz MMKRIWMTTDJRPV-NRFANRHFSA-N 0 3 413.565 4.926 40 0 HJABHN COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000257281094 559285293 /nfs/dbraw/zinc/28/52/93/559285293.db2.gz ONOUDEUOTQFRIO-UHFFFAOYSA-N 0 3 420.340 4.930 40 0 HJABHN COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000257281094 559285295 /nfs/dbraw/zinc/28/52/95/559285295.db2.gz ONOUDEUOTQFRIO-UHFFFAOYSA-N 0 3 420.340 4.930 40 0 HJABHN COc1ccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c(OC)c1 ZINC000057774532 568497406 /nfs/dbraw/zinc/49/74/06/568497406.db2.gz LYYGOLYVIXCCKV-UHFFFAOYSA-N 0 3 419.447 4.979 40 0 HJABHN CCc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000223415875 568548100 /nfs/dbraw/zinc/54/81/00/568548100.db2.gz ILUORQBTUWEETC-UHFFFAOYSA-N 0 3 414.549 4.616 40 0 HJABHN CC(C)n1c2ccc(NC(=O)c3ccc(CN4CCCCC4)cc3)cc2sc1=O ZINC000225151401 568618325 /nfs/dbraw/zinc/61/83/25/568618325.db2.gz BNGCWMNEVJVQNR-UHFFFAOYSA-N 0 3 409.555 4.882 40 0 HJABHN CN1CCC(Oc2ccc(CNC(=S)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000225772251 568673233 /nfs/dbraw/zinc/67/32/33/568673233.db2.gz YHZINJZOFPZLGN-UHFFFAOYSA-N 0 3 423.504 4.665 40 0 HJABHN CSc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257236750 568786788 /nfs/dbraw/zinc/78/67/88/568786788.db2.gz HDPDVTJHWGSFQU-SFHVURJKSA-N 0 3 413.587 4.839 40 0 HJABHN CCc1ccc(CN2CCCC[C@@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259103 568792644 /nfs/dbraw/zinc/79/26/44/568792644.db2.gz KWVKLSDUOBEXQO-XMMPIXPASA-N 0 3 416.569 4.972 40 0 HJABHN COc1ccccc1-c1ccccc1CN1CCC[C@H]1c1ccnc(CNC(C)=O)c1 ZINC000257283176 568799399 /nfs/dbraw/zinc/79/93/99/568799399.db2.gz OXAQCBWRGYTVOQ-VWLOTQADSA-N 0 3 415.537 4.730 40 0 HJABHN Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@H]3Cc2ccccc2)s1 ZINC000257287503 568800916 /nfs/dbraw/zinc/80/09/16/568800916.db2.gz PQGMMKCLJOAQEH-CZLVRFMKSA-N 0 3 423.626 4.849 40 0 HJABHN CC(C)(C)NC(=O)[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(Cl)c(F)c2)N1 ZINC000257297886 568803746 /nfs/dbraw/zinc/80/37/46/568803746.db2.gz RJEURSCGRKNECG-JVPBZIDWSA-N 0 3 420.960 4.532 40 0 HJABHN Oc1cccc2c1OC1(CCN(Cc3ccnc4ccccc34)CC1)[C@H]1CCCO[C@H]21 ZINC000257336845 568815154 /nfs/dbraw/zinc/81/51/54/568815154.db2.gz YQGNDCNSJUHVSZ-XUZZJYLKSA-N 0 3 416.521 4.835 40 0 HJABHN O=C(Nc1ccc(Br)cc1F)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063626 569342397 /nfs/dbraw/zinc/34/23/97/569342397.db2.gz NIVJNGVYDGSHCJ-UHFFFAOYSA-N 0 3 409.274 4.578 40 0 HJABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000019577337 569345784 /nfs/dbraw/zinc/34/57/84/569345784.db2.gz JJKKJDIFSMJYBC-WIOPSUGQSA-N 0 3 421.585 4.577 40 0 HJABHN CC1(C)C[C@H](NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918117 569352036 /nfs/dbraw/zinc/35/20/36/569352036.db2.gz DVBXOJVCDQKCPK-RXVVDRJESA-N 0 3 412.961 4.971 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000009108992 569391575 /nfs/dbraw/zinc/39/15/75/569391575.db2.gz MUTCSHDRYWFKDV-GVAUOCQISA-N 0 3 420.468 4.891 40 0 HJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C1=O ZINC000009319895 569392221 /nfs/dbraw/zinc/39/22/21/569392221.db2.gz BSNNENDIYSJYIY-UFYCRDLUSA-N 0 3 424.909 4.761 40 0 HJABHN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1Cl ZINC000044939893 521490189 /nfs/dbraw/zinc/49/01/89/521490189.db2.gz FDRHFBMFDBOFRN-UHFFFAOYSA-N 0 3 418.896 4.507 40 0 HJABHN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1C ZINC000044911592 521542475 /nfs/dbraw/zinc/54/24/75/521542475.db2.gz LFXZYFWVRHFRII-GOSISDBHSA-N 0 3 414.933 4.676 40 0 HJABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330412 524028702 /nfs/dbraw/zinc/02/87/02/524028702.db2.gz PAWMKIITWCDBRX-CVDCTZTESA-N 0 3 421.566 4.535 40 0 HJABHN CCCCOc1ccc(Cc2nn(CCN(CC)CC)c(=O)c3ccccc23)cc1 ZINC000005420633 557652914 /nfs/dbraw/zinc/65/29/14/557652914.db2.gz OWMQJKKXJLZFQD-UHFFFAOYSA-N 0 3 407.558 4.508 40 0 HJABHN O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2ccccc2)CC1 ZINC000039763588 558685825 /nfs/dbraw/zinc/68/58/25/558685825.db2.gz FNJNKJGWBJKBIS-UHFFFAOYSA-N 0 3 402.991 4.602 40 0 HJABHN O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000039768364 558686312 /nfs/dbraw/zinc/68/63/12/558686312.db2.gz PZXDFRAZOOXAKI-UHFFFAOYSA-N 0 3 407.739 4.953 40 0 HJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)c(C)c1 ZINC000101025187 558825216 /nfs/dbraw/zinc/82/52/16/558825216.db2.gz GRSVHQCKZAIOBQ-JRFVFWCSSA-N 0 3 412.489 4.663 40 0 HJABHN COc1ccccc1/C=C/CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081771 558839776 /nfs/dbraw/zinc/83/97/76/558839776.db2.gz MFADXOOQCKMLBA-CKLISVJZSA-N 0 3 421.585 4.719 40 0 HJABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1C ZINC000019213489 558849290 /nfs/dbraw/zinc/84/92/90/558849290.db2.gz GVXCQUCJRYYZLB-FCHUYYIVSA-N 0 3 415.961 4.649 40 0 HJABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1C ZINC000019213484 558849345 /nfs/dbraw/zinc/84/93/45/558849345.db2.gz GVXCQUCJRYYZLB-FGZHOGPDSA-N 0 3 415.961 4.649 40 0 HJABHN Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019236826 558856130 /nfs/dbraw/zinc/85/61/30/558856130.db2.gz MHGQPPKWKXRZQY-OFVILXPXSA-N 0 3 417.528 4.912 40 0 HJABHN O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334355 558869374 /nfs/dbraw/zinc/86/93/74/558869374.db2.gz SDLATWVIXCLFAN-VABKMULXSA-N 0 3 412.574 4.894 40 0 HJABHN C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3CN2C1 ZINC000070707870 558893295 /nfs/dbraw/zinc/89/32/95/558893295.db2.gz NEMWYOKGHGSVSC-NPJTXOOUSA-N 0 3 415.662 4.563 40 0 HJABHN CCN1CCC(n2nccc2NC(=O)C(C)(C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000019527045 558908130 /nfs/dbraw/zinc/90/81/30/558908130.db2.gz HRGKTFCHIRWIPG-UHFFFAOYSA-N 0 3 412.578 4.768 40 0 HJABHN Cc1ccccc1CN1CCC(c2nnc([C@H]3CCCCN3C(=O)CC(C)C)o2)CC1 ZINC000072344952 558941364 /nfs/dbraw/zinc/94/13/64/558941364.db2.gz VKSMNBRKQZFZTK-JOCHJYFZSA-N 0 3 424.589 4.857 40 0 HJABHN COc1ccc2c(CN3CCC[C@H]3c3cc(-c4cnn(C)c4)cc(C)n3)cn(C)c2c1 ZINC000019690996 558960530 /nfs/dbraw/zinc/96/05/30/558960530.db2.gz CLDFGJLDJJRMHY-DEOSSOPVSA-N 0 3 415.541 4.628 40 0 HJABHN COc1ccc(CN2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000072373152 558960929 /nfs/dbraw/zinc/96/09/29/558960929.db2.gz NIGFCWPBZVFLLQ-REWPJTCUSA-N 0 3 409.574 4.738 40 0 HJABHN CCn1cc(CN2CCC(c3cc(Cc4cccc(OC)c4)cc(C)n3)CC2)c(C)n1 ZINC000019691845 558961219 /nfs/dbraw/zinc/96/12/19/558961219.db2.gz JBCVKNHQKYDFTR-UHFFFAOYSA-N 0 3 418.585 4.894 40 0 HJABHN CC(C)n1cc(CN2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)c2ccccc21 ZINC000019705834 558968362 /nfs/dbraw/zinc/96/83/62/558968362.db2.gz UXUGGGXIBNIGAP-UHFFFAOYSA-N 0 3 404.558 4.699 40 0 HJABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000072398607 558976026 /nfs/dbraw/zinc/97/60/26/558976026.db2.gz SLWQLUZMKVLMLA-QPPBQGQZSA-N 0 3 423.601 4.823 40 0 HJABHN O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053219 559093051 /nfs/dbraw/zinc/09/30/51/559093051.db2.gz NJYKZDDXOAIPHQ-OAQYLSRUSA-N 0 3 422.544 4.739 40 0 HJABHN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)C1 ZINC000096071326 559094382 /nfs/dbraw/zinc/09/43/82/559094382.db2.gz UWEJYIINOUUCJK-HSZRJFAPSA-N 0 3 400.925 4.679 40 0 HJABHN OC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000585270481 559116327 /nfs/dbraw/zinc/11/63/27/559116327.db2.gz LCOYXZGBBOJHBZ-UHFFFAOYSA-N 0 3 405.325 4.881 40 0 HJABHN Fc1ccccc1CN1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290694 559123293 /nfs/dbraw/zinc/12/32/93/559123293.db2.gz UCOWINQHNMHIGB-OAHLLOKOSA-N 0 3 406.383 4.669 40 0 HJABHN CCCCCCN1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289991 560031207 /nfs/dbraw/zinc/03/12/07/560031207.db2.gz QROGGVHHKYJECS-GGAORHGYSA-N 0 3 414.496 4.729 40 0 biogenic,in-vitro HJABHN Cc1nc2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2n1-c1ccccc1 ZINC000004902733 560617555 /nfs/dbraw/zinc/61/75/55/560617555.db2.gz JHJMSLUJTANESB-UHFFFAOYSA-N 0 3 424.548 4.728 40 0 HJABHN Cc1cccc(N2C(=O)C3=C(C2=O)C(c2cccc(O)c2)Nc2ccccc2S3)c1 ZINC000007496292 560751231 /nfs/dbraw/zinc/75/12/31/560751231.db2.gz NYZPAZAYJMZGTR-NRFANRHFSA-N 0 3 414.486 4.787 40 0 HJABHN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219036720 568486125 /nfs/dbraw/zinc/48/61/25/568486125.db2.gz DCUHNKFETSLXOB-GOSISDBHSA-N 0 3 404.510 4.719 40 0 HJABHN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000225288785 568627947 /nfs/dbraw/zinc/62/79/47/568627947.db2.gz YTJHCVVWFFJUED-RUZDIDTESA-N 0 3 422.569 4.835 40 0 HJABHN CCO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225715136 568666925 /nfs/dbraw/zinc/66/69/25/568666925.db2.gz GMQQFSBSJNCBED-GBXCKJPGSA-N 0 3 402.579 4.721 40 0 HJABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 ZINC000225932561 568687110 /nfs/dbraw/zinc/68/71/10/568687110.db2.gz RPHOXIQBEGTOET-UHFFFAOYSA-N 0 3 401.938 4.516 40 0 HJABHN CCOc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257222082 568782538 /nfs/dbraw/zinc/78/25/38/568782538.db2.gz DRUWDVFPQUTCFQ-LJQANCHMSA-N 0 3 411.546 4.515 40 0 HJABHN O=C1N(Cc2ccc(F)cc2)CC=CCC12CCN(Cc1ccc3[nH]ccc3c1)CC2 ZINC000257241811 568788099 /nfs/dbraw/zinc/78/80/99/568788099.db2.gz HZRSJBUWBJLRAT-UHFFFAOYSA-N 0 3 417.528 4.878 40 0 HJABHN Cc1cccc(CN2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290270 568801418 /nfs/dbraw/zinc/80/14/18/568801418.db2.gz QCFDYOQIZZKYPI-QHCPKHFHSA-N 0 3 402.542 4.718 40 0 HJABHN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(Cc4ccncc4C)C3)cc2N1 ZINC000253602797 569318412 /nfs/dbraw/zinc/31/84/12/569318412.db2.gz RWCYJNURQPBREZ-YQVWRLOYSA-N 0 3 407.484 4.664 40 0 HJABHN O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000010331754 569343858 /nfs/dbraw/zinc/34/38/58/569343858.db2.gz KLYXRGZZZMWONJ-UHFFFAOYSA-N 0 3 402.991 4.989 40 0 HJABHN COc1ccc(C)cc1CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019133387 569345350 /nfs/dbraw/zinc/34/53/50/569345350.db2.gz FFUFRNCBEZQEJL-WMZHIEFXSA-N 0 3 409.574 4.514 40 0 HJABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000019565059 569345614 /nfs/dbraw/zinc/34/56/14/569345614.db2.gz KRJQTASYDODNQU-WMZHIEFXSA-N 0 3 421.566 4.535 40 0 HJABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000019577333 569345740 /nfs/dbraw/zinc/34/57/40/569345740.db2.gz SLWQLUZMKVLMLA-XUZZJYLKSA-N 0 3 423.601 4.823 40 0 HJABHN COc1cccc2cc(CN3CC[C@H](c4cc(COc5ccccc5)[nH]n4)C3)oc21 ZINC000019704278 569347523 /nfs/dbraw/zinc/34/75/23/569347523.db2.gz QKUMSPHYZGOSRM-SFHVURJKSA-N 0 3 403.482 4.733 40 0 HJABHN COc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCC(C)CC4)c3)no2)cc1 ZINC000141564137 569354849 /nfs/dbraw/zinc/35/48/49/569354849.db2.gz NZJKQHKRLBYPDT-UHFFFAOYSA-N 0 3 405.498 4.834 40 0 HJABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000018062802 569383514 /nfs/dbraw/zinc/38/35/14/569383514.db2.gz KAEVMPMHCQRLOG-SCTDSRPQSA-N 0 3 419.308 4.718 40 0 HJABHN COc1ccc(CN[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccc(OC)cc4)c3C)C2)cc1 ZINC000008624121 291277379 /nfs/dbraw/zinc/27/73/79/291277379.db2.gz UFLAFZKAIRCMJG-NHCUHLMSSA-N 0 3 403.526 4.708 40 0 biogenic,in-vitro HJABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccc(Cl)cc4)c23)cc1 ZINC000004237520 291277389 /nfs/dbraw/zinc/27/73/89/291277389.db2.gz HOXBLNZFQKFWKV-AZUAARDMSA-N 0 3 420.940 4.797 40 0 biogenic,in-vitro HJABHN COc1cccc2ccc(CN(CCCn3ccnc3)Cc3ccc(C)s3)nc21 ZINC000043277882 524261961 /nfs/dbraw/zinc/26/19/61/524261961.db2.gz WMMSOXPEPHPCCJ-UHFFFAOYSA-N 0 3 406.555 4.902 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)c1 ZINC000044855373 524387057 /nfs/dbraw/zinc/38/70/57/524387057.db2.gz FLBDHGNGJGWXPA-HSZRJFAPSA-N 0 3 406.570 4.934 40 0 HJABHN COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccc(C)cc3)CC1)CC(C)(C)O2 ZINC000044855522 525574820 /nfs/dbraw/zinc/57/48/20/525574820.db2.gz RGTCKNQKUFYXNX-QHCPKHFHSA-N 0 3 422.569 4.634 40 0 HJABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012293485 558366430 /nfs/dbraw/zinc/36/64/30/558366430.db2.gz KAJQPPIXJILCML-ZEQRLZLVSA-N 0 3 403.522 4.532 40 0 HJABHN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293599 558366711 /nfs/dbraw/zinc/36/67/11/558366711.db2.gz IVUFUDXYAVTLJF-JWQCQUIFSA-N 0 3 417.549 4.841 40 0 HJABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293618 558366797 /nfs/dbraw/zinc/36/67/97/558366797.db2.gz PDVZPDYYEXQMRW-BJKOFHAPSA-N 0 3 403.522 4.532 40 0 HJABHN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](N5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118918645 558545403 /nfs/dbraw/zinc/54/54/03/558545403.db2.gz QZQARKHEFRUGSK-MSCMAPCGSA-N 0 3 415.618 4.994 40 0 HJABHN CC1CCN(Cc2cccc(NC(=O)[C@]3(C)CC(c4ccccc4F)=NO3)c2)CC1 ZINC000141566939 558651433 /nfs/dbraw/zinc/65/14/33/558651433.db2.gz HXVMYSQBBNWGGV-DEOSSOPVSA-N 0 3 409.505 4.579 40 0 HJABHN CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1OCC ZINC000039753492 558687294 /nfs/dbraw/zinc/68/72/94/558687294.db2.gz LRSOPVNOSSPRIE-LJQANCHMSA-N 0 3 410.558 4.573 40 0 HJABHN CC1CCN(Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000030751595 558736034 /nfs/dbraw/zinc/73/60/34/558736034.db2.gz BLYAJSOAQCPVNJ-UHFFFAOYSA-N 0 3 411.977 4.534 40 0 HJABHN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038833931 558817290 /nfs/dbraw/zinc/81/72/90/558817290.db2.gz JZOXUMKJFLECCL-OAHLLOKOSA-N 0 3 407.739 4.953 40 0 HJABHN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038833993 558817456 /nfs/dbraw/zinc/81/74/56/558817456.db2.gz MUNLQWGYVMXBNU-OAHLLOKOSA-N 0 3 407.739 4.953 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000101028631 558825226 /nfs/dbraw/zinc/82/52/26/558825226.db2.gz MUTCSHDRYWFKDV-SDHSZQHLSA-N 0 3 420.468 4.891 40 0 HJABHN Cc1cnccc1CN1CCC[C@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019239514 558858095 /nfs/dbraw/zinc/85/80/95/558858095.db2.gz HQGVALUAZOPNKE-OTWHNJEPSA-N 0 3 417.548 4.787 40 0 HJABHN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2cccnc2)C1 ZINC000019449598 558887959 /nfs/dbraw/zinc/88/79/59/558887959.db2.gz JNQPRHOUNYYZGN-RUZDIDTESA-N 0 3 419.594 4.770 40 0 HJABHN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccccn2)C1 ZINC000019449558 558887968 /nfs/dbraw/zinc/88/79/68/558887968.db2.gz WFUPEHJVMOGTTL-RUZDIDTESA-N 0 3 419.594 4.770 40 0 HJABHN CC(C)Oc1ccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 ZINC000019450596 558889135 /nfs/dbraw/zinc/88/91/35/558889135.db2.gz LTUHUMMRPGRIHN-DEOSSOPVSA-N 0 3 423.601 4.984 40 0 HJABHN COc1ccc(CN2CCC([C@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)cc1 ZINC000019554953 558917951 /nfs/dbraw/zinc/91/79/51/558917951.db2.gz DGOMQHRNEYMSBI-SANMLTNESA-N 0 3 421.585 4.740 40 0 HJABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000019568960 558928039 /nfs/dbraw/zinc/92/80/39/558928039.db2.gz NCCGPZKAXYQFCC-XXBNENTESA-N 0 3 421.566 4.535 40 0 HJABHN Cn1cc(CN2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)c2cc(F)ccc21 ZINC000072353452 558950518 /nfs/dbraw/zinc/95/05/18/558950518.db2.gz VNVVSRIRXYWMSG-KRWDZBQOSA-N 0 3 416.504 4.626 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072376050 558965187 /nfs/dbraw/zinc/96/51/87/558965187.db2.gz RGOGEKNNPFBWHA-NRFANRHFSA-N 0 3 415.541 4.867 40 0 HJABHN Cc1nc2cc(C)ccn2c1CN1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000072376100 558965426 /nfs/dbraw/zinc/96/54/26/558965426.db2.gz SEHHMYICDGBTPP-HXUWFJFHSA-N 0 3 412.541 4.864 40 0 HJABHN O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053381 559093300 /nfs/dbraw/zinc/09/33/00/559093300.db2.gz NRQJEGQJMRUPBH-LJQANCHMSA-N 0 3 410.583 4.708 40 0 HJABHN O=C(C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053377 559093362 /nfs/dbraw/zinc/09/33/62/559093362.db2.gz YEEIVZRHFZXWKY-GOSISDBHSA-N 0 3 410.583 4.708 40 0 HJABHN O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000096089449 559095144 /nfs/dbraw/zinc/09/51/44/559095144.db2.gz AIYSEEPUXNBNCK-UHFFFAOYSA-N 0 3 403.353 4.661 40 0 HJABHN O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1N(Cc1ccccc1)Cc1cccc(F)c1 ZINC000585261194 559108804 /nfs/dbraw/zinc/10/88/04/559108804.db2.gz CWXFRSJHZKIYLF-TWJOJJKGSA-N 0 3 404.529 4.510 40 0 HJABHN COc1ccccc1-c1ccccc1CN1CCC[C@H]1c1ccc(CNC(C)=O)cn1 ZINC000585261841 559109501 /nfs/dbraw/zinc/10/95/01/559109501.db2.gz VGAVYXJTUKBZBU-VWLOTQADSA-N 0 3 415.537 4.730 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102735469 559152350 /nfs/dbraw/zinc/15/23/50/559152350.db2.gz IGDNOVPTPQAEFM-HKBOAZHASA-N 0 3 422.843 4.530 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000085945230 560545583 /nfs/dbraw/zinc/54/55/83/560545583.db2.gz NCMXLZBQFZUUHH-FKBYEOEOSA-N 0 3 418.880 4.700 40 0 HJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)cc1 ZINC000101201685 560785543 /nfs/dbraw/zinc/78/55/43/560785543.db2.gz IDGCKJXQNAKQSW-SGNDLWITSA-N 0 3 412.489 4.609 40 0 HJABHN COc1c(Br)cc(Br)cc1CNCCc1ccccc1F ZINC000016194490 560859522 /nfs/dbraw/zinc/85/95/22/560859522.db2.gz PUNFGGGLXQPWSP-UHFFFAOYSA-N 0 3 417.116 4.692 40 0 HJABHN Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020121609 560880848 /nfs/dbraw/zinc/88/08/48/560880848.db2.gz ZKCFCARIMYYOFO-DEOSSOPVSA-N 0 3 422.621 4.526 40 0 HJABHN C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004908909 568423099 /nfs/dbraw/zinc/42/30/99/568423099.db2.gz JRYISFBJRDAFHH-IMSXRSKXSA-N 0 3 418.880 4.781 40 0 HJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c(C)c1 ZINC000005093554 568433288 /nfs/dbraw/zinc/43/32/88/568433288.db2.gz GGXVKOKJHJWILE-FCEUIQTBSA-N 0 3 418.518 4.724 40 0 HJABHN CC1CCN(Cc2ccc(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc2)CC1 ZINC000219235926 568488279 /nfs/dbraw/zinc/48/82/79/568488279.db2.gz UCIOPQGQQOKXIA-UHFFFAOYSA-N 0 3 424.932 4.552 40 0 HJABHN COC(=O)c1cn(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc12 ZINC000222639984 568521965 /nfs/dbraw/zinc/52/19/65/568521965.db2.gz WOCFWGHFMQDTGG-KRWDZBQOSA-N 0 3 410.901 4.634 40 0 HJABHN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C1CCCCC1 ZINC000223086421 568537035 /nfs/dbraw/zinc/53/70/35/568537035.db2.gz FPODIQQJFLFBDS-FGZHOGPDSA-N 0 3 403.555 4.573 40 0 HJABHN O=C(NCCOc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223414722 568548092 /nfs/dbraw/zinc/54/80/92/568548092.db2.gz KEPVXJDCXZRYQM-UHFFFAOYSA-N 0 3 420.940 4.707 40 0 HJABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1 ZINC000223415935 568548155 /nfs/dbraw/zinc/54/81/55/568548155.db2.gz QBKILIFEBQRMLY-UHFFFAOYSA-N 0 3 414.549 4.671 40 0 HJABHN CC1CCN(Cc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)CC1 ZINC000223547517 568551538 /nfs/dbraw/zinc/55/15/38/568551538.db2.gz WPQLDESIHOSTHD-UHFFFAOYSA-N 0 3 402.538 4.881 40 0 HJABHN Cc1cccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C ZINC000223900148 568562465 /nfs/dbraw/zinc/56/24/65/568562465.db2.gz GMKWIQBUXGENOG-UHFFFAOYSA-N 0 3 414.549 4.671 40 0 HJABHN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000224423569 568580902 /nfs/dbraw/zinc/58/09/02/568580902.db2.gz YSPIURSTILCELQ-VXKWHMMOSA-N 0 3 415.497 4.584 40 0 HJABHN O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224553424 568584914 /nfs/dbraw/zinc/58/49/14/568584914.db2.gz UHRTWHKNLHOOOG-UHFFFAOYSA-N 0 3 403.501 4.662 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)CC2)cc1 ZINC000225166038 568619832 /nfs/dbraw/zinc/61/98/32/568619832.db2.gz LLBHSBCLGLPOKG-UHFFFAOYSA-N 0 3 423.582 4.803 40 0 HJABHN CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2cccnc2)CC1 ZINC000257200563 568776076 /nfs/dbraw/zinc/77/60/76/568776076.db2.gz ADULIELZMXSMPK-UHFFFAOYSA-N 0 3 419.594 4.771 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 ZINC000257214212 568780222 /nfs/dbraw/zinc/78/02/22/568780222.db2.gz CLCFNJWZRJSIPZ-UHFFFAOYSA-N 0 3 401.514 4.558 40 0 HJABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257257116 568791996 /nfs/dbraw/zinc/79/19/96/568791996.db2.gz KODICGCZQMNFKE-LJQANCHMSA-N 0 3 401.514 4.560 40 0 HJABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCCCC[NH+]3CCCC3)ccc1OC2(C)C ZINC000257328039 568812704 /nfs/dbraw/zinc/81/27/04/568812704.db2.gz XDVVJAYJHMGNLT-MISYRCLQSA-N 0 3 414.590 4.689 40 0 HJABHN Oc1cccc2c1OC1(CCN(Cc3ccc4cc[nH]c4c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257341167 568816371 /nfs/dbraw/zinc/81/63/71/568816371.db2.gz ZJCIKQUXOLZURA-NZQKXSOJSA-N 0 3 404.510 4.768 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000015276235 568867732 /nfs/dbraw/zinc/86/77/32/568867732.db2.gz UATSXNGJSNRLHJ-ACRUOGEOSA-N 0 3 422.843 4.530 40 0 HJABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019555107 569345668 /nfs/dbraw/zinc/34/56/68/569345668.db2.gz PAWMKIITWCDBRX-AUSIDOKSSA-N 0 3 421.566 4.535 40 0 HJABHN CCCN1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 ZINC000019705438 569347995 /nfs/dbraw/zinc/34/79/95/569347995.db2.gz LBRJEIZTYULPJM-NRFANRHFSA-N 0 3 408.995 4.810 40 0 HJABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1cccc(C)c1 ZINC000019713520 569348359 /nfs/dbraw/zinc/34/83/59/569348359.db2.gz BMLVSLMGGZTAGJ-RPBOFIJWSA-N 0 3 422.617 4.935 40 0 HJABHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855214 569351992 /nfs/dbraw/zinc/35/19/92/569351992.db2.gz FEHJMIGOEQMILR-UGKGYDQZSA-N 0 3 410.533 4.765 40 0 HJABHN CCOc1cccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000020483578 521356686 /nfs/dbraw/zinc/35/66/86/521356686.db2.gz NNYOWRCTZZQVJK-UHFFFAOYSA-N 0 3 400.522 4.574 40 0 HJABHN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl ZINC000044939830 521509521 /nfs/dbraw/zinc/50/95/21/521509521.db2.gz KFEOYCLDGTWTLK-MRXNPFEDSA-N 0 3 418.896 4.507 40 0 HJABHN O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408608020 557521975 /nfs/dbraw/zinc/52/19/75/557521975.db2.gz LTVTTZADOYHOPS-SANMLTNESA-N 0 3 410.561 4.868 40 0 HJABHN O=C(OCCN1CCCCC1)[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000006582650 557709065 /nfs/dbraw/zinc/70/90/65/557709065.db2.gz BXGAZMHAVGAZRZ-MHZLTWQESA-N 0 3 415.533 4.619 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCSCc3ccccc3Cl)CC2)c1 ZINC000039762757 558685555 /nfs/dbraw/zinc/68/55/55/558685555.db2.gz GOZJOHOSVCMXQN-UHFFFAOYSA-N 0 3 417.018 4.910 40 0 HJABHN CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OCC ZINC000039756948 558687850 /nfs/dbraw/zinc/68/78/50/558687850.db2.gz ZUJBJZUYPWLTHR-HXUWFJFHSA-N 0 3 424.585 4.882 40 0 HJABHN Clc1ccccc1COc1ccc(Br)cc1CNC[C@@H]1CCCO1 ZINC000016449949 558792121 /nfs/dbraw/zinc/79/21/21/558792121.db2.gz CTMVKODOQQDHQS-KRWDZBQOSA-N 0 3 410.739 4.950 40 0 HJABHN O=C(NCCSCc1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038836994 558818184 /nfs/dbraw/zinc/81/81/84/558818184.db2.gz IXNHLSUTNVCVPI-HXUWFJFHSA-N 0 3 402.991 4.602 40 0 HJABHN O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848488 558818341 /nfs/dbraw/zinc/81/83/41/558818341.db2.gz POOQJOPODHSENP-LJQANCHMSA-N 0 3 420.981 4.741 40 0 HJABHN Cc1ccccc1CSCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852958 558819082 /nfs/dbraw/zinc/81/90/82/558819082.db2.gz GGMUDCCADSRRHY-FQEVSTJZSA-N 0 3 417.018 4.910 40 0 HJABHN C[C@H]1CCCC[C@H]1N1C(=O)C(CC(=O)Nc2ccccc2)n2c3ccccc3nc21 ZINC000039964057 558823037 /nfs/dbraw/zinc/82/30/37/558823037.db2.gz ARQJGEPDWWYSNZ-LDQXTDLNSA-N 0 3 402.498 4.532 40 0 HJABHN Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2Cl)c1 ZINC000101087353 558826944 /nfs/dbraw/zinc/82/69/44/558826944.db2.gz GLTQFBFWISJYOZ-VSKRKVRLSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)c1 ZINC000101087353 558826945 /nfs/dbraw/zinc/82/69/45/558826945.db2.gz GLTQFBFWISJYOZ-VSKRKVRLSA-N 0 3 418.880 4.700 40 0 HJABHN O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019370365 558878531 /nfs/dbraw/zinc/87/85/31/558878531.db2.gz DEONCXUXOAKGMU-ATIYNZHBSA-N 0 3 417.528 4.533 40 0 HJABHN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019376083 558882330 /nfs/dbraw/zinc/88/23/30/558882330.db2.gz BHBOGBVOYMTWLL-IBGZPJMESA-N 0 3 418.541 4.665 40 0 HJABHN COc1cccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 ZINC000019564871 558925091 /nfs/dbraw/zinc/92/50/91/558925091.db2.gz AKRUZPOZNCMKMX-HSZRJFAPSA-N 0 3 421.566 4.535 40 0 HJABHN Cc1noc2nc(C3CCN(Cc4c[nH]nc4C(C)(C)C)CC3)cc(C(F)F)c12 ZINC000019564995 558925278 /nfs/dbraw/zinc/92/52/78/558925278.db2.gz RXOPKLATLQBTRW-UHFFFAOYSA-N 0 3 403.477 4.869 40 0 HJABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000019568963 558928097 /nfs/dbraw/zinc/92/80/97/558928097.db2.gz NCCGPZKAXYQFCC-AUSIDOKSSA-N 0 3 421.566 4.535 40 0 HJABHN COc1ccccc1CN1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1 ZINC000019575012 558932578 /nfs/dbraw/zinc/93/25/78/558932578.db2.gz VXIJXAWZJXIJMR-AUUYWEPGSA-N 0 3 408.468 4.579 40 0 HJABHN COc1ccc(-c2cccc(CN3CCC[C@@H]3c3ccc(C(N)=O)c(C)n3)c2)cc1 ZINC000019711144 558973226 /nfs/dbraw/zinc/97/32/26/558973226.db2.gz AQPJOVNHMACDRM-XMMPIXPASA-N 0 3 401.510 4.502 40 0 HJABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)s1 ZINC000096053427 559093413 /nfs/dbraw/zinc/09/34/13/559093413.db2.gz YURHYTKUHVLWJX-GOSISDBHSA-N 0 3 410.583 4.626 40 0 HJABHN CC(C)n1cnc2c1cc(C1CCN(Cc3ccsc3)CC1)nc2-c1cnn(C)c1 ZINC000096100046 559095429 /nfs/dbraw/zinc/09/54/29/559095429.db2.gz VQOCIMBMNJCIBR-UHFFFAOYSA-N 0 3 420.586 4.854 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102726099 559152214 /nfs/dbraw/zinc/15/22/14/559152214.db2.gz YYRMEMFAUXXGHP-ACRUOGEOSA-N 0 3 422.843 4.530 40 0 HJABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)C2ON1c1ccccc1 ZINC000102728415 560731740 /nfs/dbraw/zinc/73/17/40/560731740.db2.gz KAEVMPMHCQRLOG-YQVWRLOYSA-N 0 3 419.308 4.718 40 0 HJABHN COc1cc(CNCc2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000007274939 560750197 /nfs/dbraw/zinc/75/01/97/560750197.db2.gz OBKKVSFHWGVNNJ-UHFFFAOYSA-N 0 3 413.315 4.722 40 0 HJABHN Cc1cccc(N2C(=O)C3=C(C2=O)C(c2cccc(O)c2)Nc2ccccc2S3)c1 ZINC000007496289 560751234 /nfs/dbraw/zinc/75/12/34/560751234.db2.gz NYZPAZAYJMZGTR-OAQYLSRUSA-N 0 3 414.486 4.787 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)c(C)c1 ZINC000005528968 568446979 /nfs/dbraw/zinc/44/69/79/568446979.db2.gz HFOLDOQWPQYRAR-VXNXHJTFSA-N 0 3 412.489 4.663 40 0 HJABHN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000219052174 568486355 /nfs/dbraw/zinc/48/63/55/568486355.db2.gz JQQQYRPTBIJMJL-GOSISDBHSA-N 0 3 404.510 4.719 40 0 HJABHN CC1CCN(Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)CC1 ZINC000219236029 568488366 /nfs/dbraw/zinc/48/83/66/568488366.db2.gz WTVRSLVQYOYZLT-UHFFFAOYSA-N 0 3 424.932 4.552 40 0 HJABHN CC(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223826280 568560066 /nfs/dbraw/zinc/56/00/66/568560066.db2.gz CUSSSVWTAGNGAN-HXUWFJFHSA-N 0 3 414.977 4.871 40 0 HJABHN O=C(CSCc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224806635 568597946 /nfs/dbraw/zinc/59/79/46/568597946.db2.gz URBXQXRRSLCYMY-UHFFFAOYSA-N 0 3 402.991 4.876 40 0 HJABHN CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccccn2)CC1 ZINC000257208499 568778561 /nfs/dbraw/zinc/77/85/61/568778561.db2.gz BMKOXVMFPPLECY-UHFFFAOYSA-N 0 3 419.594 4.771 40 0 HJABHN COc1ccc(CN2CCC3(CC2)Oc2c(OC)cccc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257274740 568797002 /nfs/dbraw/zinc/79/70/02/568797002.db2.gz NMKNTCCWTBFZMX-JTHBVZDNSA-N 0 3 409.526 4.599 40 0 HJABHN COc1ccc(C)cc1CN1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257278541 568798108 /nfs/dbraw/zinc/79/81/08/568798108.db2.gz OCQOVHDSJUJJIF-IBGZPJMESA-N 0 3 424.589 4.511 40 0 HJABHN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cccnc4)CC3)CO[C@H]21 ZINC000257281255 568798720 /nfs/dbraw/zinc/79/87/20/568798720.db2.gz OOIMCMRNTNRMHQ-RBBKRZOGSA-N 0 3 408.542 4.621 40 0 HJABHN CCn1ncc(CN2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)c1C ZINC000257315498 568808981 /nfs/dbraw/zinc/80/89/81/568808981.db2.gz VBRNYFMXNYRRPX-GOSISDBHSA-N 0 3 410.591 4.803 40 0 HJABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 ZINC000257343861 568817235 /nfs/dbraw/zinc/81/72/35/568817235.db2.gz ZURUCWHSQXZXLX-GOSISDBHSA-N 0 3 402.498 4.557 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC(c3cccc(Nc4ncccc4C)n3)CC2)cc1 ZINC000257344365 568817453 /nfs/dbraw/zinc/81/74/53/568817453.db2.gz ZWWWGRJUVITYRX-UHFFFAOYSA-N 0 3 415.541 4.867 40 0 HJABHN CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000009063181 569342301 /nfs/dbraw/zinc/34/23/01/569342301.db2.gz FXNWYVQFNMPFCG-UHFFFAOYSA-N 0 3 408.542 4.803 40 0 HJABHN COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019570219 569345816 /nfs/dbraw/zinc/34/58/16/569345816.db2.gz ABLIGMZVMXTMTD-ATIYNZHBSA-N 0 3 421.585 4.740 40 0 HJABHN COc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3cccc(C)c3)CC1)CC(C)(C)O2 ZINC000044855519 525585328 /nfs/dbraw/zinc/58/53/28/525585328.db2.gz FAQZFZKJNWJWDB-HSZRJFAPSA-N 0 3 422.569 4.634 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCSCc3ccc(Cl)cc3)CC2)cc1 ZINC000039749918 558687017 /nfs/dbraw/zinc/68/70/17/558687017.db2.gz JLPMPXDWARJKSY-UHFFFAOYSA-N 0 3 417.018 4.910 40 0 HJABHN COc1cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(OC)cc1Cl ZINC000030942765 558745799 /nfs/dbraw/zinc/74/57/99/558745799.db2.gz FHJQGBXCODMYPZ-UHFFFAOYSA-N 0 3 402.922 4.841 40 0 HJABHN O=c1c(CN(CCCn2ccnc2)C[C@@H]2CC=CCC2)coc2ccc(Cl)cc12 ZINC000036740217 558801725 /nfs/dbraw/zinc/80/17/25/558801725.db2.gz VGHVKCYAPNNSQC-GOSISDBHSA-N 0 3 411.933 4.892 40 0 HJABHN O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038836875 558818113 /nfs/dbraw/zinc/81/81/13/558818113.db2.gz SRNSUDAEPCHPEO-KRWDZBQOSA-N 0 3 406.954 4.600 40 0 HJABHN Cc1ccc(SCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038836633 558818134 /nfs/dbraw/zinc/81/81/34/558818134.db2.gz CXNGCSIBJPAQOL-LJQANCHMSA-N 0 3 402.991 4.769 40 0 HJABHN C[C@H]1CCCC[C@H]1N1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000039964061 558823006 /nfs/dbraw/zinc/82/30/06/558823006.db2.gz RKURYZYBBQHUCF-NYSBEXSLSA-N 0 3 420.488 4.671 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000101000640 558824840 /nfs/dbraw/zinc/82/48/40/558824840.db2.gz CZNJUCWEUUULRC-BDTNDASRSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)cc1 ZINC000101074394 558826525 /nfs/dbraw/zinc/82/65/25/558826525.db2.gz CNTPOBMIWIPEHC-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000019021105 558837834 /nfs/dbraw/zinc/83/78/34/558837834.db2.gz RBNAYAWEZUPICF-UHFFFAOYSA-N 0 3 410.533 4.775 40 0 HJABHN COc1cccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)c1 ZINC000019081637 558839739 /nfs/dbraw/zinc/83/97/39/558839739.db2.gz DBJVJNPRZYHHFO-YPAWHYETSA-N 0 3 412.599 4.619 40 0 HJABHN CCCC[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000013750219 558863812 /nfs/dbraw/zinc/86/38/12/558863812.db2.gz HKJYIXSCILEBFO-FHWLQOOXSA-N 0 3 419.308 4.862 40 0 HJABHN O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000019370914 558878963 /nfs/dbraw/zinc/87/89/63/558878963.db2.gz TWANSWJNDYJRDR-RDGATRHJSA-N 0 3 419.594 4.845 40 0 HJABHN COc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2ccc(NC(C)=O)cc2)n1 ZINC000072358115 558953920 /nfs/dbraw/zinc/95/39/20/558953920.db2.gz IKENOUOBJCEGSY-VWLOTQADSA-N 0 3 415.537 4.977 40 0 HJABHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370311 558956669 /nfs/dbraw/zinc/95/66/69/558956669.db2.gz TVADSVYPSZBPQB-QGZVFWFLSA-N 0 3 410.587 4.602 40 0 HJABHN CCn1cc(CN2CCC(c3cc(Cc4ccc(OC)cc4)cc(C)n3)CC2)c(C)n1 ZINC000019691846 558961172 /nfs/dbraw/zinc/96/11/72/558961172.db2.gz KTOAICMJJFPAOY-UHFFFAOYSA-N 0 3 418.585 4.894 40 0 HJABHN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cccc3cccnc32)C1 ZINC000019702210 558967476 /nfs/dbraw/zinc/96/74/76/558967476.db2.gz KXZDMDMWAREAJA-QGZVFWFLSA-N 0 3 416.550 4.536 40 0 HJABHN Cc1c(CN2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)nc2ccccn12 ZINC000585100550 559023992 /nfs/dbraw/zinc/02/39/92/559023992.db2.gz NGRVDAGLTFMDFM-RUZDIDTESA-N 0 3 408.590 4.570 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052760 559092394 /nfs/dbraw/zinc/09/23/94/559092394.db2.gz YBTZLPNSMDYYPR-FQEVSTJZSA-N 0 3 406.545 4.906 40 0 HJABHN Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc2O3)s1 ZINC000096053097 559092951 /nfs/dbraw/zinc/09/29/51/559092951.db2.gz SMWIRVZIZYJDQT-FQEVSTJZSA-N 0 3 424.610 4.874 40 0 HJABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053464 559093389 /nfs/dbraw/zinc/09/33/89/559093389.db2.gz SDYTWPCIBBZWED-HXUWFJFHSA-N 0 3 412.599 4.908 40 0 HJABHN COc1ccc(CN2CCC[C@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1 ZINC000585289454 559122407 /nfs/dbraw/zinc/12/24/07/559122407.db2.gz GVMPUAYGMGQJAJ-INIZCTEOSA-N 0 3 418.419 4.539 40 0 HJABHN C[C@]12CC[C@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@H]3[C@H]1CCC2=O ZINC000105366100 559162747 /nfs/dbraw/zinc/16/27/47/559162747.db2.gz KBZHXUQCKRKJLU-JTKRFKOTSA-N 0 3 409.570 4.893 40 0 HJABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1I ZINC000017092094 560866838 /nfs/dbraw/zinc/86/68/38/560866838.db2.gz PYXPFEJAIRYWQI-UHFFFAOYSA-N 0 3 420.294 4.529 40 0 HJABHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 ZINC000057776092 568497598 /nfs/dbraw/zinc/49/75/98/568497598.db2.gz RYRHRYSOOYIWDJ-GOSISDBHSA-N 0 3 411.977 4.785 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCOc3ccccc3C(C)(C)C)CC2)c1 ZINC000223717023 568557166 /nfs/dbraw/zinc/55/71/66/568557166.db2.gz ZGGRXIFTZKLXGN-UHFFFAOYSA-N 0 3 408.586 4.700 40 0 HJABHN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 ZINC000224227117 568574436 /nfs/dbraw/zinc/57/44/36/568574436.db2.gz CKMXNBVPEONVDI-PKTZIBPZSA-N 0 3 411.534 4.753 40 0 HJABHN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000224391769 568580061 /nfs/dbraw/zinc/58/00/61/568580061.db2.gz GHXUMOPQFCWOSF-VXKWHMMOSA-N 0 3 415.497 4.584 40 0 HJABHN CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000224553567 568584927 /nfs/dbraw/zinc/58/49/27/568584927.db2.gz XZVRDJIGTAJDIB-UHFFFAOYSA-N 0 3 412.549 4.530 40 0 HJABHN C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224832252 568599005 /nfs/dbraw/zinc/59/90/05/568599005.db2.gz LGPJZRKPYRGAQG-FQEVSTJZSA-N 0 3 402.538 4.909 40 0 HJABHN C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224832199 568599014 /nfs/dbraw/zinc/59/90/14/568599014.db2.gz LGPJZRKPYRGAQG-HXUWFJFHSA-N 0 3 402.538 4.909 40 0 HJABHN Cc1ccc2nc(C)cc(NCCNC(=S)Nc3ccc4sncc4c3)c2c1 ZINC000225214607 568623801 /nfs/dbraw/zinc/62/38/01/568623801.db2.gz PGASKXGMAJZWID-UHFFFAOYSA-N 0 3 407.568 4.860 40 0 HJABHN CCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC(C)CC1 ZINC000225720244 568667746 /nfs/dbraw/zinc/66/77/46/568667746.db2.gz XAYXZKRSSIEXPV-UHFFFAOYSA-N 0 3 402.579 4.721 40 0 HJABHN S=C(NCCCN1CCc2ccccc2C1)Nc1ccc(OC2CCCC2)cc1 ZINC000225744014 568670622 /nfs/dbraw/zinc/67/06/22/568670622.db2.gz HNHUJSFJMGXYTM-UHFFFAOYSA-N 0 3 409.599 4.743 40 0 HJABHN C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000260822773 568740439 /nfs/dbraw/zinc/74/04/39/568740439.db2.gz ABWVONLBYQGXMU-WMZOPIPTSA-N 0 3 413.359 4.639 40 0 HJABHN CN(C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cc3ccccc3o2)C1)C1CCCCC1 ZINC000257227120 568784081 /nfs/dbraw/zinc/78/40/81/568784081.db2.gz FNUHHFPIJJFIAV-IBGZPJMESA-N 0 3 420.557 4.940 40 0 HJABHN CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CCN(Cc3ccc(C(C)C)cc3)C2)nc1C ZINC000257236624 568786774 /nfs/dbraw/zinc/78/67/74/568786774.db2.gz HCZWPYRIUGRWDZ-HSZRJFAPSA-N 0 3 422.617 4.617 40 0 HJABHN Cn1cc(CN2CCC(c3cccc(Nc4ncccn4)n3)CC2)c2cc(F)ccc21 ZINC000257244056 568788583 /nfs/dbraw/zinc/78/85/83/568788583.db2.gz IJRCSCZEBUDFOV-UHFFFAOYSA-N 0 3 416.504 4.626 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCSCc3ccc(Cl)cc3)CC2)c1 ZINC000009063012 569342243 /nfs/dbraw/zinc/34/22/43/569342243.db2.gz DDSOJSFIGSCAGQ-UHFFFAOYSA-N 0 3 417.018 4.910 40 0 HJABHN CC(C)c1ccc(OCc2cc([C@@H]3CCN(Cc4cccnc4N(C)C)C3)n[nH]2)cc1 ZINC000019704269 569347572 /nfs/dbraw/zinc/34/75/72/569347572.db2.gz WDBHFFVNRRPQNS-HXUWFJFHSA-N 0 3 419.573 4.563 40 0 HJABHN COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044937214 569352082 /nfs/dbraw/zinc/35/20/82/569352082.db2.gz XSQROISHEKNCPW-XUZZJYLKSA-N 0 3 412.549 4.950 40 0 HJABHN CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)cc1 ZINC000020503439 575369629 /nfs/dbraw/zinc/36/96/29/575369629.db2.gz ICSZLFRITWDIEH-AZUAARDMSA-N 0 3 420.553 4.996 40 0 biogenic,in-vitro HJABHN Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 ZINC000008635844 291279660 /nfs/dbraw/zinc/27/96/60/291279660.db2.gz YPXAUQTVOZZFGF-UHOSZYNNSA-N 0 3 422.554 4.575 40 0 biogenic,in-vitro HJABHN CC(C)C(=O)N1CCCc2cc([C@H](O)CN3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291395 132358020 /nfs/dbraw/zinc/35/80/20/132358020.db2.gz IPIPAPKIFPXDQE-RUZDIDTESA-N 0 3 422.544 4.584 40 0 HJABHN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1Cl ZINC000044939834 521511109 /nfs/dbraw/zinc/51/11/09/521511109.db2.gz KFEOYCLDGTWTLK-INIZCTEOSA-N 0 3 418.896 4.507 40 0 HJABHN COc1ccccc1CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044906717 524402268 /nfs/dbraw/zinc/40/22/68/524402268.db2.gz PFZHJEKCJVKJLR-UHFFFAOYSA-N 0 3 414.549 4.616 40 0 HJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2c[nH]nc2-c2ccc(Cl)cc2)o1 ZINC000043277772 524406497 /nfs/dbraw/zinc/40/64/97/524406497.db2.gz VWNWJTJYYLRLPP-UHFFFAOYSA-N 0 3 409.921 4.921 40 0 HJABHN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCCCC3)cc1)CC(C)(C)O2 ZINC000044855562 525586266 /nfs/dbraw/zinc/58/62/66/525586266.db2.gz ZLGIFVZIBLAZGS-JOCHJYFZSA-N 0 3 408.542 4.713 40 0 HJABHN CCOc1ccccc1N(CCN(C)C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000001758899 557285124 /nfs/dbraw/zinc/28/51/24/557285124.db2.gz CJVHCNDIRPRHON-UHFFFAOYSA-N 0 3 402.538 4.812 40 0 HJABHN CCOC(=O)c1c(NC(=O)c2ccc(CN3CCCC3)cc2)sc2c1CCCC2 ZINC000010691155 558259833 /nfs/dbraw/zinc/25/98/33/558259833.db2.gz LGNKPXWSZBMFIE-UHFFFAOYSA-N 0 3 412.555 4.652 40 0 HJABHN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCCC[C@@H]2CN2CCCCC2)s1 ZINC000012238204 558358921 /nfs/dbraw/zinc/35/89/21/558358921.db2.gz DQCKBWXAJGYQHI-HXUWFJFHSA-N 0 3 415.578 4.667 40 0 HJABHN CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039766832 558686161 /nfs/dbraw/zinc/68/61/61/558686161.db2.gz NVOVXRNPFNCDRM-UHFFFAOYSA-N 0 3 408.542 4.803 40 0 HJABHN C[C@H]1CCCC[C@@H]1N1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000039964059 558823017 /nfs/dbraw/zinc/82/30/17/558823017.db2.gz RKURYZYBBQHUCF-PAXLWEDBSA-N 0 3 420.488 4.671 40 0 HJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)c(C)c1 ZINC000101029048 558825243 /nfs/dbraw/zinc/82/52/43/558825243.db2.gz GGXVKOKJHJWILE-NNWRFLSQSA-N 0 3 418.518 4.724 40 0 HJABHN CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(Cc4cccnc4)CC3)cc2n1 ZINC000019083846 558840593 /nfs/dbraw/zinc/84/05/93/558840593.db2.gz XWRHAVJGQNPLFB-UHFFFAOYSA-N 0 3 417.479 4.820 40 0 HJABHN Cc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 ZINC000019210356 558848249 /nfs/dbraw/zinc/84/82/49/558848249.db2.gz HPEGEEKWHGCOGZ-HJOGWXRNSA-N 0 3 417.578 4.582 40 0 HJABHN FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCN3C[C@@H]3CCOC3)nn21 ZINC000019344180 558872815 /nfs/dbraw/zinc/87/28/15/558872815.db2.gz UQQTWWUFYFFZMD-XJKSGUPXSA-N 0 3 422.476 4.650 40 0 HJABHN CC(C)c1ccc(CN2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cc1 ZINC000019453224 558890790 /nfs/dbraw/zinc/89/07/90/558890790.db2.gz SBBCKIXVVKGWTP-QFIPXVFZSA-N 0 3 418.541 4.503 40 0 HJABHN CC(C)n1cc(CN2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccc(F)cc21 ZINC000019454769 558891532 /nfs/dbraw/zinc/89/15/32/558891532.db2.gz LFEAVEQHJLKAAV-UHFFFAOYSA-N 0 3 420.532 4.738 40 0 HJABHN COc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)ccc1OC1CCCC1 ZINC000019550120 558914923 /nfs/dbraw/zinc/91/49/23/558914923.db2.gz NGHSONWJJVQOSQ-KMXBQNHCSA-N 0 3 422.569 4.531 40 0 HJABHN COc1cccc(CN2CCC([C@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)c1 ZINC000019564843 558924828 /nfs/dbraw/zinc/92/48/28/558924828.db2.gz BKWCKBGCVMUCTN-SANMLTNESA-N 0 3 421.585 4.740 40 0 HJABHN Cc1c2ccccc2[nH]c1CN1CCC([C@@H](NC(=O)C2CCC2)c2ccccn2)CC1 ZINC000019565881 558925719 /nfs/dbraw/zinc/92/57/19/558925719.db2.gz OWXVYPQOJCRPQK-RUZDIDTESA-N 0 3 416.569 4.741 40 0 HJABHN Cc1c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000019565875 558925739 /nfs/dbraw/zinc/92/57/39/558925739.db2.gz BNBLIEMLNLESJT-XMMPIXPASA-N 0 3 418.585 4.987 40 0 HJABHN O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000072330462 558934786 /nfs/dbraw/zinc/93/47/86/558934786.db2.gz DEONCXUXOAKGMU-GJZUVCINSA-N 0 3 417.528 4.533 40 0 HJABHN Cc1ccc(CN2CCC(c3nnc([C@@H]4CCCCN4C(=O)CC(C)C)o3)CC2)cc1 ZINC000072344941 558941333 /nfs/dbraw/zinc/94/13/33/558941333.db2.gz MASOKFYGHLYZAC-QFIPXVFZSA-N 0 3 424.589 4.857 40 0 HJABHN Cn1cc(CN2CCC[C@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)cn1 ZINC000072349992 558946866 /nfs/dbraw/zinc/94/68/66/558946866.db2.gz RXFSJXRKCKEWKL-IBGZPJMESA-N 0 3 414.475 4.804 40 0 HJABHN CC(C)c1ncc(CN2CCCCC[C@@H]2Cc2c3ccccc3sc2C(N)=O)cn1 ZINC000072370685 558957236 /nfs/dbraw/zinc/95/72/36/558957236.db2.gz ODSUCYABPLGIQE-GOSISDBHSA-N 0 3 422.598 4.901 40 0 HJABHN Cc1cccc(N2CCN(C[C@H]3C(=O)O[C@H]4C[C@@]5(C)CCC[C@@H](C)C5=C[C@@H]34)C[C@@H]2C)c1 ZINC000063684324 558958738 /nfs/dbraw/zinc/95/87/38/558958738.db2.gz SAOYGWVUOAMNQH-LNKOHFBPSA-N 0 3 422.613 4.820 40 0 HJABHN Cc1nc2cc(C)ccn2c1CN1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000072376099 558965392 /nfs/dbraw/zinc/96/53/92/558965392.db2.gz SEHHMYICDGBTPP-FQEVSTJZSA-N 0 3 412.541 4.864 40 0 HJABHN COc1ccccc1/C=C/CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398588 558976020 /nfs/dbraw/zinc/97/60/20/558976020.db2.gz MFADXOOQCKMLBA-RGLOFSQBSA-N 0 3 421.585 4.719 40 0 HJABHN C[C@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000072398623 558976342 /nfs/dbraw/zinc/97/63/42/558976342.db2.gz SWRULZWHTDBBPH-WXVUKLJWSA-N 0 3 421.585 4.521 40 0 HJABHN COc1ccccc1-c1ccc(CN(C)Cc2ccccc2N2CCOCC2)cc1 ZINC000019715486 558976480 /nfs/dbraw/zinc/97/64/80/558976480.db2.gz IEQMHRJWVVTINF-UHFFFAOYSA-N 0 3 402.538 4.831 40 0 HJABHN NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)CC1 ZINC000585166463 559066908 /nfs/dbraw/zinc/06/69/08/559066908.db2.gz HJKBEJSEUHFXLE-UHFFFAOYSA-N 0 3 419.956 4.712 40 0 HJABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053460 559093385 /nfs/dbraw/zinc/09/33/85/559093385.db2.gz CDGACEMIRWHYIY-LJQANCHMSA-N 0 3 412.599 4.908 40 0 HJABHN O=C(Nc1ccccc1)N1CC2(C1)CCN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000096071012 559094337 /nfs/dbraw/zinc/09/43/37/559094337.db2.gz HYLSXRQVBCURBV-UHFFFAOYSA-N 0 3 403.448 4.835 40 0 HJABHN COc1ccccc1-c1cccc(CN2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000585261967 559109637 /nfs/dbraw/zinc/10/96/37/559109637.db2.gz VDEGQFZYSJVJTR-RUZDIDTESA-N 0 3 415.537 4.730 40 0 HJABHN Clc1ccc2ncc(-c3cccc([C@@H]4CCCN(Cc5ccccn5)C4)n3)n2c1 ZINC000585262953 559111571 /nfs/dbraw/zinc/11/15/71/559111571.db2.gz RGCVMPOGJHAWDD-QGZVFWFLSA-N 0 3 403.917 4.824 40 0 HJABHN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000096627143 559111688 /nfs/dbraw/zinc/11/16/88/559111688.db2.gz KSADTDJAKGKPIJ-QGZVFWFLSA-N 0 3 410.867 4.887 40 0 HJABHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000100565910 559136626 /nfs/dbraw/zinc/13/66/26/559136626.db2.gz GOYZKYVQWGNNAH-HBMCJLEFSA-N 0 3 422.843 4.530 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102726105 559152228 /nfs/dbraw/zinc/15/22/28/559152228.db2.gz YYRMEMFAUXXGHP-HKBOAZHASA-N 0 3 422.843 4.530 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102759870 559152608 /nfs/dbraw/zinc/15/26/08/559152608.db2.gz CGTHHUAWOJLGOO-ACRUOGEOSA-N 0 3 422.843 4.530 40 0 HJABHN COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4ccccc4)CC3)C2=O)c1 ZINC000072371049 559186436 /nfs/dbraw/zinc/18/64/36/559186436.db2.gz XAPIRXWUEPGRBN-RUZDIDTESA-N 0 3 404.554 4.512 40 0 HJABHN CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccncc2)CC1 ZINC000257224985 559283664 /nfs/dbraw/zinc/28/36/64/559283664.db2.gz FEHOTPLPXALJSL-UHFFFAOYSA-N 0 3 413.565 4.710 40 0 HJABHN CC(C)(C)CCN1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514289597 560032291 /nfs/dbraw/zinc/03/22/91/560032291.db2.gz LXBJKYXMQNYSSW-WRALFONMSA-N 0 3 412.549 4.558 40 0 biogenic,in-vitro HJABHN CCOC(=O)C1=C(C)NC(SCC(C)C)=N[C@@H]1c1cccc(Br)c1 ZINC000408986479 560661634 /nfs/dbraw/zinc/66/16/34/560661634.db2.gz COBYOGOADFIRJM-MRXNPFEDSA-N 0 3 411.365 4.676 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)c1 ZINC000009063009 560766670 /nfs/dbraw/zinc/76/66/70/560766670.db2.gz LSOUEVADDCKEDT-UHFFFAOYSA-N 0 3 402.991 4.769 40 0 HJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)cc1 ZINC000101201692 560785684 /nfs/dbraw/zinc/78/56/84/560785684.db2.gz IDGCKJXQNAKQSW-SMIHKQSGSA-N 0 3 412.489 4.609 40 0 HJABHN COc1ccc(CN2CCC(c3cc4c(ccc(OC)c4C)cn3)CC2)c(OC)c1 ZINC000057773345 568497740 /nfs/dbraw/zinc/49/77/40/568497740.db2.gz KKIHTVQFYYAHET-UHFFFAOYSA-N 0 3 406.526 4.949 40 0 HJABHN Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)s2)cc1 ZINC000222878539 568529340 /nfs/dbraw/zinc/52/93/40/568529340.db2.gz INUXYXIDPVWRJQ-UHFFFAOYSA-N 0 3 406.555 4.998 40 0 HJABHN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000224194729 568573282 /nfs/dbraw/zinc/57/32/82/568573282.db2.gz MYPNZDDRULSPKZ-GOTSBHOMSA-N 0 3 411.534 4.753 40 0 HJABHN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 ZINC000224227172 568574421 /nfs/dbraw/zinc/57/44/21/568574421.db2.gz CKMXNBVPEONVDI-XZOQPEGZSA-N 0 3 411.534 4.753 40 0 HJABHN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224840937 568599530 /nfs/dbraw/zinc/59/95/30/568599530.db2.gz JYDBOQDGBKXEJD-JOCHJYFZSA-N 0 3 400.950 4.800 40 0 HJABHN COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000225670367 568662456 /nfs/dbraw/zinc/66/24/56/568662456.db2.gz MLHLWPUIJVPTBQ-LJQANCHMSA-N 0 3 400.522 4.745 40 0 HJABHN Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4cccc(C)c4)CC3)s2)cc1 ZINC000225775075 568673545 /nfs/dbraw/zinc/67/35/45/568673545.db2.gz BVCIJZROCQFMRE-UHFFFAOYSA-N 0 3 406.555 4.673 40 0 HJABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCCC4)on3)C2)c1 ZINC000257255605 568791872 /nfs/dbraw/zinc/79/18/72/568791872.db2.gz KIDYRXDOTZEQGB-IBGZPJMESA-N 0 3 411.546 4.515 40 0 HJABHN CN(C)C(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccncc2)CC1 ZINC000257266427 568794524 /nfs/dbraw/zinc/79/45/24/568794524.db2.gz MCZFOINGYGKPAI-UHFFFAOYSA-N 0 3 419.594 4.723 40 0 HJABHN COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(C)nc4)C3)c2)cc1 ZINC000257273168 568796549 /nfs/dbraw/zinc/79/65/49/568796549.db2.gz NFNGDVLAMMKGPH-FQEVSTJZSA-N 0 3 416.525 4.865 40 0 HJABHN COc1ccccc1-c1ccccc1CN1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 ZINC000257283175 568799384 /nfs/dbraw/zinc/79/93/84/568799384.db2.gz OXAQCBWRGYTVOQ-RUZDIDTESA-N 0 3 415.537 4.730 40 0 HJABHN COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4ccncc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257320885 568810654 /nfs/dbraw/zinc/81/06/54/568810654.db2.gz VZAPPSMXEMKVMD-JTHBVZDNSA-N 0 3 408.542 4.621 40 0 HJABHN Cn1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)c2cc(F)ccc21 ZINC000257324352 568811724 /nfs/dbraw/zinc/81/17/24/568811724.db2.gz WOHVOXSQTRPYLM-UHFFFAOYSA-N 0 3 416.504 4.626 40 0 HJABHN CC(=O)Nc1ccc(CN2CC[C@@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000019696156 569346774 /nfs/dbraw/zinc/34/67/74/569346774.db2.gz NLXZTAUXUNOJPB-GOSISDBHSA-N 0 3 424.932 4.590 40 0 HJABHN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000019702128 569347385 /nfs/dbraw/zinc/34/73/85/569347385.db2.gz DQNZFHOJBKTQII-KRWDZBQOSA-N 0 3 416.550 4.536 40 0 HJABHN Cc1cccc2c(C(=O)NCC(C)(C)N3CCCCC3)cc(-c3cccnc3)nc12 ZINC000141550544 569354774 /nfs/dbraw/zinc/35/47/74/569354774.db2.gz MURBKLSZQFLHGG-UHFFFAOYSA-N 0 3 402.542 4.600 40 0 HJABHN Cc1cccc2c(C(=O)NCC(C)(C)N3CCCCC3)cc(-c3ccccn3)nc12 ZINC000141551554 569354842 /nfs/dbraw/zinc/35/48/42/569354842.db2.gz WPTYLRJDNLRBMG-UHFFFAOYSA-N 0 3 402.542 4.600 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000008868088 569390737 /nfs/dbraw/zinc/39/07/37/569390737.db2.gz UATSXNGJSNRLHJ-HBMCJLEFSA-N 0 3 422.843 4.530 40 0 HJABHN CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044851609 520474498 /nfs/dbraw/zinc/47/44/98/520474498.db2.gz BAZCUYOUOMCJRN-UHFFFAOYSA-N 0 3 412.549 4.576 40 0 HJABHN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000044912003 521510592 /nfs/dbraw/zinc/51/05/92/521510592.db2.gz LDXJDORDRVRHRF-IBGZPJMESA-N 0 3 414.933 4.676 40 0 HJABHN COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCC(C)CC3)cc1)CC(C)(C)O2 ZINC000044855567 525587244 /nfs/dbraw/zinc/58/72/44/525587244.db2.gz TZXHAEFIIYGEQA-HSZRJFAPSA-N 0 3 422.569 4.959 40 0 HJABHN COc1ccc(CCN[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1OC ZINC000408734509 557800632 /nfs/dbraw/zinc/80/06/32/557800632.db2.gz WFTRPJUDYWVNQX-HSZRJFAPSA-N 0 3 424.928 4.869 40 0 HJABHN CCOc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OCC ZINC000020492492 558378469 /nfs/dbraw/zinc/37/84/69/558378469.db2.gz PGMDAXIHDNAWMG-UHFFFAOYSA-N 0 3 410.558 4.646 40 0 HJABHN Clc1ccccc1COc1ccc(Br)cc1CNC[C@H]1CCCO1 ZINC000016449951 558792286 /nfs/dbraw/zinc/79/22/86/558792286.db2.gz CTMVKODOQQDHQS-QGZVFWFLSA-N 0 3 410.739 4.950 40 0 HJABHN O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848489 558818371 /nfs/dbraw/zinc/81/83/71/558818371.db2.gz POOQJOPODHSENP-IBGZPJMESA-N 0 3 420.981 4.741 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000101000634 558824889 /nfs/dbraw/zinc/82/48/89/558824889.db2.gz CZNJUCWEUUULRC-FKBYEOEOSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@H]3C2=O)cc1 ZINC000101056839 558825920 /nfs/dbraw/zinc/82/59/20/558825920.db2.gz WNDKNSZFOUQZQR-VSKRKVRLSA-N 0 3 418.880 4.700 40 0 HJABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccs1 ZINC000019400601 558883116 /nfs/dbraw/zinc/88/31/16/558883116.db2.gz MIDQHRPLLIVPRJ-PGRDOPGGSA-N 0 3 409.530 4.666 40 0 HJABHN O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3ccc(OCc4cccc(F)c4)cc3)C[C@H]21 ZINC000019402288 558883826 /nfs/dbraw/zinc/88/38/26/558883826.db2.gz OFQDHCAMMRUMMC-NZJKTDFXSA-N 0 3 418.512 4.529 40 0 HJABHN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(CC2=CCCOC2)C1 ZINC000019452095 558889980 /nfs/dbraw/zinc/88/99/80/558889980.db2.gz NZECHMPIQYPGTM-HNNXBMFYSA-N 0 3 409.452 4.891 40 0 HJABHN CCc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(Cc2cccc(C)n2)CC1 ZINC000019522099 558903353 /nfs/dbraw/zinc/90/33/53/558903353.db2.gz UBEVQAWNMPNGOI-UHFFFAOYSA-N 0 3 404.436 4.887 40 0 HJABHN Cc1c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000019565878 558925742 /nfs/dbraw/zinc/92/57/42/558925742.db2.gz BNBLIEMLNLESJT-DEOSSOPVSA-N 0 3 418.585 4.987 40 0 HJABHN COc1ccc(C)cc1CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072330773 558935112 /nfs/dbraw/zinc/93/51/12/558935112.db2.gz FFUFRNCBEZQEJL-CVDCTZTESA-N 0 3 409.574 4.514 40 0 HJABHN COc1cc(C)c(CN2CCC[C@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)c(C)c1C ZINC000019690826 558960276 /nfs/dbraw/zinc/96/02/76/558960276.db2.gz FVNQOMLJTVSNOO-QHCPKHFHSA-N 0 3 417.557 4.700 40 0 HJABHN Fc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccc3[nH]ccc3c2)n[nH]1 ZINC000072378357 558967498 /nfs/dbraw/zinc/96/74/98/558967498.db2.gz UPVFZBIJGZBFGI-QHCPKHFHSA-N 0 3 404.489 4.989 40 0 HJABHN CC1CCN(CC(=O)N2CCC[C@@H](c3[nH]c4ccccc4c3-c3ccncc3)C2)CC1 ZINC000072396385 558975300 /nfs/dbraw/zinc/97/53/00/558975300.db2.gz CMXMGZAFDBZNJY-OAQYLSRUSA-N 0 3 416.569 4.668 40 0 HJABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000072398606 558976042 /nfs/dbraw/zinc/97/60/42/558976042.db2.gz SLWQLUZMKVLMLA-URXFXBBRSA-N 0 3 423.601 4.823 40 0 HJABHN COc1ccccc1-c1cccc(CN2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000585261968 559109647 /nfs/dbraw/zinc/10/96/47/559109647.db2.gz VDEGQFZYSJVJTR-VWLOTQADSA-N 0 3 415.537 4.730 40 0 HJABHN Clc1ccc2ncc(-c3cccc([C@@H]4CCCN(Cc5cccnc5)C4)n3)n2c1 ZINC000585263017 559111398 /nfs/dbraw/zinc/11/13/98/559111398.db2.gz VSPDOXKUEUSWPD-GOSISDBHSA-N 0 3 403.917 4.824 40 0 HJABHN O[C@]1(COc2ccc(Cl)cc2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585282011 559119765 /nfs/dbraw/zinc/11/97/65/559119765.db2.gz FMJNWMLOUWFYQV-SSPYTLHUSA-N 0 3 415.961 4.509 40 0 HJABHN COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4ccccc4)CC3)C2=O)c1 ZINC000072371050 559186450 /nfs/dbraw/zinc/18/64/50/559186450.db2.gz XAPIRXWUEPGRBN-VWLOTQADSA-N 0 3 404.554 4.512 40 0 HJABHN CC(C)n1c(SCc2cccnc2)nnc1[C@H]1CCCN(Cc2cccs2)C1 ZINC000026441103 568549523 /nfs/dbraw/zinc/54/95/23/568549523.db2.gz WUTVHCSTJCFCEX-SFHVURJKSA-N 0 3 413.616 4.987 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCOc3cccc4ccccc43)CC2)cc1 ZINC000223554848 568551612 /nfs/dbraw/zinc/55/16/12/568551612.db2.gz HWBUGXWCBKJJNG-UHFFFAOYSA-N 0 3 402.538 4.555 40 0 HJABHN Cc1cc(C)cc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000224055234 568568107 /nfs/dbraw/zinc/56/81/07/568568107.db2.gz HADQNAKBEKNYRK-UHFFFAOYSA-N 0 3 414.549 4.671 40 0 HJABHN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCN(Cc2ccccc2)CC1 ZINC000224327409 568577943 /nfs/dbraw/zinc/57/79/43/568577943.db2.gz JLQCBSUCJKFBKK-UHFFFAOYSA-N 0 3 412.946 4.709 40 0 HJABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCCC1 ZINC000225657071 568660741 /nfs/dbraw/zinc/66/07/41/568660741.db2.gz PKDNTPUNIXMAQY-UHFFFAOYSA-N 0 3 402.579 4.865 40 0 HJABHN CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225662753 568661420 /nfs/dbraw/zinc/66/14/20/568661420.db2.gz UBNRRRAXCYOQDU-YKSBVNFPSA-N 0 3 402.579 4.865 40 0 HJABHN CN(C)c1cc([C@H]2CCCN(Cc3ccccc3OCc3ccccn3)C2)ccn1 ZINC000257233003 568785625 /nfs/dbraw/zinc/78/56/25/568785625.db2.gz GNIFMUBSJALMLF-NRFANRHFSA-N 0 3 402.542 4.501 40 0 HJABHN CCn1cc(CN2CCC(c3cc(Nc4ccc(F)cn4)cc(C)n3)CC2)c(C)n1 ZINC000257256777 568792102 /nfs/dbraw/zinc/79/21/02/568792102.db2.gz KMWCPIWWTFYWHX-UHFFFAOYSA-N 0 3 408.525 4.572 40 0 HJABHN Cc1nc2cc(C)ccn2c1CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257269373 568795425 /nfs/dbraw/zinc/79/54/25/568795425.db2.gz MPRORDNQTRBNDL-UHFFFAOYSA-N 0 3 412.541 4.864 40 0 HJABHN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 ZINC000257343862 568817158 /nfs/dbraw/zinc/81/71/58/568817158.db2.gz ZURUCWHSQXZXLX-SFHVURJKSA-N 0 3 402.498 4.557 40 0 HJABHN Cc1nc(NCc2ccccc2)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000328971644 568970543 /nfs/dbraw/zinc/97/05/43/568970543.db2.gz DQZYZJNMTFJSEL-UHFFFAOYSA-N 0 3 409.331 4.722 40 0 HJABHN Cc1nc(NC2CCCCC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329017462 568972927 /nfs/dbraw/zinc/97/29/27/568972927.db2.gz NMILCPAXICMJAD-UHFFFAOYSA-N 0 3 406.452 4.991 40 0 HJABHN CC(C)Oc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019450624 569345368 /nfs/dbraw/zinc/34/53/68/569345368.db2.gz DNRLMGSKDNJJNY-XUZZJYLKSA-N 0 3 423.601 4.984 40 0 HJABHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000006517630 132311397 /nfs/dbraw/zinc/31/13/97/132311397.db2.gz BNAOKLHJKJYOPW-ONNFQVAWSA-N 0 3 404.341 4.787 40 0 HJABHN COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000044937311 525173593 /nfs/dbraw/zinc/17/35/93/525173593.db2.gz QAMHHBDEPVGGFB-XMMPIXPASA-N 0 3 412.549 4.950 40 0 HJABHN O=C(NCCSCc1ccccc1F)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044909021 526373286 /nfs/dbraw/zinc/37/32/86/526373286.db2.gz CHOKABHCBDHLEY-SFHVURJKSA-N 0 3 420.981 4.741 40 0 HJABHN CCc1[nH]c2ccccc2c1N1C(=O)CC2(CCN(Cc3ccccc3)CC2)CC1=O ZINC000001705567 557281930 /nfs/dbraw/zinc/28/19/30/557281930.db2.gz QWCAWFATBCSHJM-UHFFFAOYSA-N 0 3 415.537 4.666 40 0 HJABHN CN(C)CCOc1c(Br)cc(Br)cc1Cc1ccccc1 ZINC000001734051 557283526 /nfs/dbraw/zinc/28/35/26/557283526.db2.gz KADIZPZKWNGEAF-UHFFFAOYSA-N 0 3 413.153 4.743 40 0 HJABHN O=C(C(c1ccccc1)c1ccccc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408613027 557531219 /nfs/dbraw/zinc/53/12/19/557531219.db2.gz WLXKKTAGZKQNFI-UHFFFAOYSA-N 0 3 410.561 4.868 40 0 HJABHN COCc1cc(CN2CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C2)ccc1OC(C)C ZINC000019742508 558262977 /nfs/dbraw/zinc/26/29/77/558262977.db2.gz YXCXPUAYPZSVCG-HXUWFJFHSA-N 0 3 422.573 4.590 40 0 HJABHN CC(C)(C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293570 558366732 /nfs/dbraw/zinc/36/67/32/558366732.db2.gz JDWBHSUFEBWAMY-FCHUYYIVSA-N 0 3 413.533 4.507 40 0 HJABHN CCn1cc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c2ccc(F)cc21 ZINC000012328876 558383779 /nfs/dbraw/zinc/38/37/79/558383779.db2.gz LYSSWRBDYZTCKQ-UHFFFAOYSA-N 0 3 411.496 4.567 40 0 HJABHN C[C@@H](O)CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016576469 558796183 /nfs/dbraw/zinc/79/61/83/558796183.db2.gz UFJWAWLCPUUMFY-LLVKDONJSA-N 0 3 419.146 4.805 40 0 HJABHN Cc1cc(C)n(-c2cccc(CN(CCCn3ccnc3)Cc3ccc(C)o3)c2)n1 ZINC000036740271 558801643 /nfs/dbraw/zinc/80/16/43/558801643.db2.gz MFOKZHCYVWHTRY-UHFFFAOYSA-N 0 3 403.530 4.680 40 0 HJABHN Cc1ccc(CSCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038837182 558818125 /nfs/dbraw/zinc/81/81/25/558818125.db2.gz KMXZEBDIPPFYOL-OAQYLSRUSA-N 0 3 417.018 4.910 40 0 HJABHN O=C(NCCSCc1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038836997 558818169 /nfs/dbraw/zinc/81/81/69/558818169.db2.gz IXNHLSUTNVCVPI-FQEVSTJZSA-N 0 3 402.991 4.602 40 0 HJABHN O=C(NCCSCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848546 558818229 /nfs/dbraw/zinc/81/82/29/558818229.db2.gz JDTGIFPLIHJTAG-LJQANCHMSA-N 0 3 420.981 4.741 40 0 HJABHN Cc1ccccc1CSCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852955 558819062 /nfs/dbraw/zinc/81/90/62/558819062.db2.gz GGMUDCCADSRRHY-HXUWFJFHSA-N 0 3 417.018 4.910 40 0 HJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C1=O ZINC000101030021 558825278 /nfs/dbraw/zinc/82/52/78/558825278.db2.gz BSNNENDIYSJYIY-AABGKKOBSA-N 0 3 424.909 4.761 40 0 HJABHN Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019236818 558855899 /nfs/dbraw/zinc/85/58/99/558855899.db2.gz CYNZVDQDPCZVBW-BWKNWUBXSA-N 0 3 417.528 4.912 40 0 HJABHN O=C(C1CCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019343534 558872483 /nfs/dbraw/zinc/87/24/83/558872483.db2.gz IZYFIWABDUMHNV-NJDAHSKKSA-N 0 3 400.613 4.816 40 0 HJABHN O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc(CN2CCCC2)c1 ZINC000019368456 558877457 /nfs/dbraw/zinc/87/74/57/558877457.db2.gz LMMTWOCWLKMWEA-UHFFFAOYSA-N 0 3 410.905 4.557 40 0 HJABHN CC(C)Oc1cccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019450830 558889094 /nfs/dbraw/zinc/88/90/94/558889094.db2.gz AXHOXKJVIUYWDT-XMMPIXPASA-N 0 3 423.601 4.984 40 0 HJABHN COc1ccc(OC)c(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 ZINC000019565008 558925145 /nfs/dbraw/zinc/92/51/45/558925145.db2.gz RCIRNMOEHKPZTG-UHFFFAOYSA-N 0 3 417.456 4.866 40 0 HJABHN COc1cccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1OC ZINC000019565064 558925326 /nfs/dbraw/zinc/92/53/26/558925326.db2.gz HBTJLUIHIQXSQQ-UHFFFAOYSA-N 0 3 417.456 4.866 40 0 HJABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccsc2)C1 ZINC000019568966 558928055 /nfs/dbraw/zinc/92/80/55/558928055.db2.gz NCCGPZKAXYQFCC-CVDCTZTESA-N 0 3 421.566 4.535 40 0 HJABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000072330594 558935191 /nfs/dbraw/zinc/93/51/91/558935191.db2.gz JJKKJDIFSMJYBC-DHLKQENFSA-N 0 3 421.585 4.577 40 0 HJABHN CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccc3)CC2)o1 ZINC000072344935 558941291 /nfs/dbraw/zinc/94/12/91/558941291.db2.gz KDKJKODGQWYKMP-OAQYLSRUSA-N 0 3 410.562 4.549 40 0 HJABHN Cc1nccn1CC1CCN(Cc2c(-c3ccc(F)cc3)nc3sccn23)CC1 ZINC000019715784 558976996 /nfs/dbraw/zinc/97/69/96/558976996.db2.gz PPDDWPJJUQLHGI-UHFFFAOYSA-N 0 3 409.534 4.619 40 0 HJABHN C[C@@H](N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)/C=C/c1ccccc1)c1ccccc1 ZINC000095951568 559089429 /nfs/dbraw/zinc/08/94/29/559089429.db2.gz RQUOXSVJZAAWGN-NELPEVFNSA-N 0 3 422.569 4.791 40 0 HJABHN COc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)cc1 ZINC000096038202 559091825 /nfs/dbraw/zinc/09/18/25/559091825.db2.gz LUKOKISNWZMNJU-UHFFFAOYSA-N 0 3 416.500 4.924 40 0 HJABHN COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)cc1 ZINC000096053324 559093166 /nfs/dbraw/zinc/09/31/66/559093166.db2.gz ONUQZAZVBXDEQP-NRFANRHFSA-N 0 3 422.569 4.511 40 0 HJABHN Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(N4CCCC4)n3)CC2)o1 ZINC000096099994 559095250 /nfs/dbraw/zinc/09/52/50/559095250.db2.gz PNTIUCACTHGTFY-UHFFFAOYSA-N 0 3 407.562 4.893 40 0 HJABHN C[C@]12CC[C@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@@H]3[C@H]1CCC2=O ZINC000105366104 559162708 /nfs/dbraw/zinc/16/27/08/559162708.db2.gz KBZHXUQCKRKJLU-WOLJRWFJSA-N 0 3 409.570 4.893 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 ZINC000072359719 559186231 /nfs/dbraw/zinc/18/62/31/559186231.db2.gz TWLKATWOGCRISI-QFIPXVFZSA-N 0 3 400.526 4.790 40 0 HJABHN COc1ccccc1CN1CCC(Cc2ccccc2-c2ccccc2)(C(N)=O)CC1 ZINC000257335362 559283348 /nfs/dbraw/zinc/28/33/48/559283348.db2.gz YJVWEQWTSLPZLK-UHFFFAOYSA-N 0 3 414.549 4.672 40 0 HJABHN C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@H]3CN2C1 ZINC000108235059 560898556 /nfs/dbraw/zinc/89/85/56/560898556.db2.gz NEMWYOKGHGSVSC-LNHKRLHCSA-N 0 3 415.662 4.563 40 0 biogenic HJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 ZINC000005092015 568433229 /nfs/dbraw/zinc/43/32/29/568433229.db2.gz GRSVHQCKZAIOBQ-XWGVYQGASA-N 0 3 412.489 4.663 40 0 HJABHN CCOc1c(Br)cc(Br)cc1CNCCc1ccccc1 ZINC000022074363 568473793 /nfs/dbraw/zinc/47/37/93/568473793.db2.gz YARGJKZXRNIJJN-UHFFFAOYSA-N 0 3 413.153 4.943 40 0 HJABHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000223954320 568564371 /nfs/dbraw/zinc/56/43/71/568564371.db2.gz WWPGPFWGIMSAPJ-IBGZPJMESA-N 0 3 410.558 4.997 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000224531689 568583897 /nfs/dbraw/zinc/58/38/97/568583897.db2.gz KLNPFDFSEIPRAA-UHFFFAOYSA-N 0 3 408.586 4.700 40 0 HJABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000020462703 568609858 /nfs/dbraw/zinc/60/98/58/568609858.db2.gz UEVLBOFOSJDJHO-KMDXXIMOSA-N 0 3 408.586 4.826 40 0 biogenic,in-vitro HJABHN COc1cc(C)ccc1CN1CCC(c2cncc(Nc3nc(C)cs3)n2)CC1 ZINC000257248276 568789730 /nfs/dbraw/zinc/78/97/30/568789730.db2.gz JCXKHIFBYFHEFM-UHFFFAOYSA-N 0 3 409.559 4.682 40 0 HJABHN Cc1cccc(Nc2cncc(C3CCN(Cc4cn(C)c5ccccc45)CC3)n2)n1 ZINC000257322478 568811288 /nfs/dbraw/zinc/81/12/88/568811288.db2.gz WGDGPXYEHKQGJM-UHFFFAOYSA-N 0 3 412.541 4.795 40 0 HJABHN Cc1nc(NC2CCCCC2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329022679 568973337 /nfs/dbraw/zinc/97/33/37/568973337.db2.gz OPHBSHBTZUSGKG-UHFFFAOYSA-N 0 3 401.352 4.855 40 0 HJABHN C[C@@H]1CCCC[C@H]1N1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000248120450 569316352 /nfs/dbraw/zinc/31/63/52/569316352.db2.gz RKURYZYBBQHUCF-VMRPVKRXSA-N 0 3 420.488 4.671 40 0 HJABHN C[C@@H]1Cc2cc(CN3CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000253594241 569318352 /nfs/dbraw/zinc/31/83/52/569318352.db2.gz SWRULZWHTDBBPH-FPGHNAPASA-N 0 3 421.585 4.521 40 0 HJABHN COc1ccc(C)cc1CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019133383 569345328 /nfs/dbraw/zinc/34/53/28/569345328.db2.gz FFUFRNCBEZQEJL-AUSIDOKSSA-N 0 3 409.574 4.514 40 0 HJABHN CC(=O)Nc1ccc(CN2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000019696157 569346712 /nfs/dbraw/zinc/34/67/12/569346712.db2.gz NLXZTAUXUNOJPB-SFHVURJKSA-N 0 3 424.932 4.590 40 0 HJABHN COc1ccccc1/C=C/CN1[C@H](Cc2ccccc2F)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712826 569429048 /nfs/dbraw/zinc/42/90/48/569429048.db2.gz JRNYNSQMBJARRJ-WMZVREIMSA-N 0 3 422.544 4.592 40 0 HJABHN CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)cc1 ZINC000020503435 575369779 /nfs/dbraw/zinc/36/97/79/575369779.db2.gz NYKIGZUPGQPYJK-FUHWJXTLSA-N 0 3 408.592 4.918 40 0 biogenic,in-vitro HJABHN Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000225489367 291279555 /nfs/dbraw/zinc/27/95/55/291279555.db2.gz XTQODWFWHIBELR-KRWDZBQOSA-N 0 3 406.404 4.625 40 0 biogenic,in-vitro HJABHN Fc1ccc(OCc2nnc([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000049170415 291280015 /nfs/dbraw/zinc/28/00/15/291280015.db2.gz DXXJXTBXZFSJDJ-HNNXBMFYSA-N 0 3 421.394 4.796 40 0 biogenic,in-vitro HJABHN FC(F)(F)c1ccc(CNC[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)cc1 ZINC000096269357 291280034 /nfs/dbraw/zinc/28/00/34/291280034.db2.gz RFVRMFHIXVOSNZ-SFHVURJKSA-N 0 3 421.850 4.911 40 0 biogenic,in-vitro HJABHN CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044911801 521472553 /nfs/dbraw/zinc/47/25/53/521472553.db2.gz UMVDBACGEVAGNW-IBGZPJMESA-N 0 3 414.933 4.676 40 0 HJABHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000408571741 557469066 /nfs/dbraw/zinc/46/90/66/557469066.db2.gz DWVIOSQKIBCKSD-FYWRMAATSA-N 0 3 401.510 4.740 40 0 HJABHN Cc1nn(-c2ccccn2)c2nc([C@H]3CCCN3Cc3cn(C)c4ccccc34)ccc12 ZINC000019742442 558262727 /nfs/dbraw/zinc/26/27/27/558262727.db2.gz VIOUIUHXGRQTQE-XMMPIXPASA-N 0 3 422.536 4.953 40 0 HJABHN Cc1cc(-c2cnc(NC[C@@H](c3ccc(F)cc3)N(C)C)nc2-c2ccoc2C)on1 ZINC000012251513 558362121 /nfs/dbraw/zinc/36/21/21/558362121.db2.gz RFGBBGPSBGVLRP-FQEVSTJZSA-N 0 3 421.476 4.862 40 0 HJABHN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293601 558366790 /nfs/dbraw/zinc/36/67/90/558366790.db2.gz IVUFUDXYAVTLJF-LOSJGSFVSA-N 0 3 417.549 4.841 40 0 HJABHN COc1cc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c(OC)cc1Cl ZINC000039767842 558686101 /nfs/dbraw/zinc/68/61/01/558686101.db2.gz RLMHVRMOGWLWMW-UHFFFAOYSA-N 0 3 402.922 4.516 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)cc1 ZINC000039767681 558686156 /nfs/dbraw/zinc/68/61/56/558686156.db2.gz KMMBPKNOIRPGSM-UHFFFAOYSA-N 0 3 402.991 4.769 40 0 HJABHN C[C@@H]1CCCC[C@@H]1N1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000039964058 558823069 /nfs/dbraw/zinc/82/30/69/558823069.db2.gz RKURYZYBBQHUCF-MFMILTCTSA-N 0 3 420.488 4.671 40 0 HJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C1=O ZINC000101047489 558825775 /nfs/dbraw/zinc/82/57/75/558825775.db2.gz FSNRYIANYKCYPE-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019219230 558851365 /nfs/dbraw/zinc/85/13/65/558851365.db2.gz BNUYXGDPPAFICD-XZOQPEGZSA-N 0 3 409.570 4.677 40 0 HJABHN O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000019370916 558879025 /nfs/dbraw/zinc/87/90/25/558879025.db2.gz TWANSWJNDYJRDR-RCZVLFRGSA-N 0 3 419.594 4.845 40 0 HJABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000019400652 558883332 /nfs/dbraw/zinc/88/33/32/558883332.db2.gz LUQCUPUKHROZKV-XMSQKQJNSA-N 0 3 409.530 4.666 40 0 HJABHN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(Cc2ccccn2)C1 ZINC000019449582 558888054 /nfs/dbraw/zinc/88/80/54/558888054.db2.gz KYSQRYIBQSQXQT-RUZDIDTESA-N 0 3 419.594 4.770 40 0 HJABHN COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330445 558934774 /nfs/dbraw/zinc/93/47/74/558934774.db2.gz ABLIGMZVMXTMTD-GJZUVCINSA-N 0 3 421.585 4.740 40 0 HJABHN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072345949 558942397 /nfs/dbraw/zinc/94/23/97/558942397.db2.gz VDTBMZDTUOATQE-KRWDZBQOSA-N 0 3 413.447 4.519 40 0 HJABHN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000072361003 558955777 /nfs/dbraw/zinc/95/57/77/558955777.db2.gz PQMCVRIKGQOQAS-KRWDZBQOSA-N 0 3 416.550 4.536 40 0 HJABHN FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(CCOc4ccccc4)C3)n2)c1 ZINC000072369970 558956101 /nfs/dbraw/zinc/95/61/01/558956101.db2.gz HHLPWIZSOFLNCR-MRXNPFEDSA-N 0 3 403.404 4.624 40 0 HJABHN Cc1cc(-c2cn[nH]c2)cc([C@H]2CCCN2Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019691044 558960633 /nfs/dbraw/zinc/96/06/33/558960633.db2.gz JIHSXKOFYQHSRX-XMMPIXPASA-N 0 3 412.541 4.731 40 0 HJABHN Cc1ccc(Nc2nccc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377989 558967198 /nfs/dbraw/zinc/96/71/98/558967198.db2.gz CALLHRKSGJFUSK-NRFANRHFSA-N 0 3 410.525 4.851 40 0 HJABHN CC(C)Oc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000072398593 558975976 /nfs/dbraw/zinc/97/59/76/558975976.db2.gz DNRLMGSKDNJJNY-QPPBQGQZSA-N 0 3 423.601 4.984 40 0 HJABHN COc1ccccc1/C=C/CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398589 558975986 /nfs/dbraw/zinc/97/59/86/558975986.db2.gz MFADXOOQCKMLBA-MYBSHTFJSA-N 0 3 421.585 4.719 40 0 HJABHN O=C(c1cscn1)N1CC[C@@]2(CCN(Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096203119 559101206 /nfs/dbraw/zinc/10/12/06/559101206.db2.gz IYUCZSCHAIZYFF-XMMPIXPASA-N 0 3 403.551 4.548 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102706092 559152071 /nfs/dbraw/zinc/15/20/71/559152071.db2.gz UTTZDGLCMGGDLF-HKBOAZHASA-N 0 3 422.843 4.530 40 0 HJABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936097 559173763 /nfs/dbraw/zinc/17/37/63/559173763.db2.gz YEPDFOQGCJUBHX-SIKLNZKXSA-N 0 3 400.950 4.828 40 0 HJABHN C[C@@]12C(=O)N(c3ccc(Cl)cc3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004957697 568427288 /nfs/dbraw/zinc/42/72/88/568427288.db2.gz JMURSCATIIKWMK-LGVFNWMJSA-N 0 3 418.880 4.781 40 0 HJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000005066827 568432173 /nfs/dbraw/zinc/43/21/73/568432173.db2.gz GRYBUPGQWXZFDB-SMIHKQSGSA-N 0 3 412.489 4.609 40 0 HJABHN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC(C)CC4)cc3)n2)cc1 ZINC000219236433 568488273 /nfs/dbraw/zinc/48/82/73/568488273.db2.gz PRZXSYRXDQCBLA-UHFFFAOYSA-N 0 3 418.541 4.549 40 0 HJABHN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000224194886 568573229 /nfs/dbraw/zinc/57/32/29/568573229.db2.gz MYPNZDDRULSPKZ-DHIUTWEWSA-N 0 3 411.534 4.753 40 0 HJABHN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000224423620 568580912 /nfs/dbraw/zinc/58/09/12/568580912.db2.gz YSPIURSTILCELQ-YADHBBJMSA-N 0 3 415.497 4.584 40 0 HJABHN O=C(CSCc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000224806764 568597799 /nfs/dbraw/zinc/59/77/99/568597799.db2.gz QHYGLYXVELTXOR-UHFFFAOYSA-N 0 3 402.991 4.876 40 0 HJABHN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224832142 568599059 /nfs/dbraw/zinc/59/90/59/568599059.db2.gz YGAOENBGKKUDBP-FQEVSTJZSA-N 0 3 402.538 4.909 40 0 HJABHN Cc1nc(Nc2cc(C)nc([C@H]3CCCN(Cc4cnn(C)c4C)C3)c2)sc1C ZINC000257303616 568805490 /nfs/dbraw/zinc/80/54/90/568805490.db2.gz SHYFAIWMPJRYPW-SFHVURJKSA-N 0 3 410.591 4.628 40 0 HJABHN CCn1ncc(CN2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)c1C ZINC000257315499 568809033 /nfs/dbraw/zinc/80/90/33/568809033.db2.gz VBRNYFMXNYRRPX-SFHVURJKSA-N 0 3 410.591 4.803 40 0 HJABHN O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000100085160 568935316 /nfs/dbraw/zinc/93/53/16/568935316.db2.gz NUKBFNTXXDFNTC-XMMPIXPASA-N 0 3 413.908 4.775 40 0 HJABHN O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000100085164 568935450 /nfs/dbraw/zinc/93/54/50/568935450.db2.gz NUKBFNTXXDFNTC-DEOSSOPVSA-N 0 3 413.908 4.775 40 0 HJABHN Ic1cccc(-c2nc3cc(CN4CCCC4)ccc3o2)c1 ZINC000216839213 569025587 /nfs/dbraw/zinc/02/55/87/569025587.db2.gz IIMYUDCYPFABDJ-UHFFFAOYSA-N 0 3 404.251 4.695 40 0 HJABHN C[C@@]1(O)CCN(CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290031 569070064 /nfs/dbraw/zinc/07/00/64/569070064.db2.gz VDZWNNVOYSULBK-KYPHJKQUSA-N 0 3 424.560 4.702 40 0 biogenic,in-vitro HJABHN C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3CN2C1 ZINC000252461637 569286779 /nfs/dbraw/zinc/28/67/79/569286779.db2.gz NEMWYOKGHGSVSC-INZDFQLNSA-N 0 3 415.662 4.563 40 0 biogenic HJABHN COc1cc(C)c(CN2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000019567295 569345652 /nfs/dbraw/zinc/34/56/52/569345652.db2.gz WWQFYTGAMRRHEE-GBXCKJPGSA-N 0 3 423.601 4.823 40 0 HJABHN O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 ZINC000004237299 291280704 /nfs/dbraw/zinc/28/07/04/291280704.db2.gz RJJCJMULLZOBCS-FUHWJXTLSA-N 0 3 402.519 4.942 40 0 biogenic,in-vitro HJABHN CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)ccc1Cl ZINC000044939637 521438918 /nfs/dbraw/zinc/43/89/18/521438918.db2.gz HOJQJHFTLIXOPK-UHFFFAOYSA-N 0 3 414.933 4.676 40 0 HJABHN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCCCC3)cc1)CC(C)(C)O2 ZINC000044855561 525573636 /nfs/dbraw/zinc/57/36/36/525573636.db2.gz ZLGIFVZIBLAZGS-QFIPXVFZSA-N 0 3 408.542 4.713 40 0 HJABHN O=C(CC1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019962045 558315750 /nfs/dbraw/zinc/31/57/50/558315750.db2.gz PEHPQEYCVJNUKN-JOCHJYFZSA-N 0 3 414.509 4.843 40 0 HJABHN Cn1cccc1CN1CCC2(C[C@@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000012086196 558321643 /nfs/dbraw/zinc/32/16/43/558321643.db2.gz KKLXARNVRJOJDV-DEOSSOPVSA-N 0 3 422.960 4.545 40 0 HJABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)CC1 ZINC000020107580 558334089 /nfs/dbraw/zinc/33/40/89/558334089.db2.gz MQPHZFVFSOOELU-UHFFFAOYSA-N 0 3 419.569 4.797 40 0 HJABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293622 558366807 /nfs/dbraw/zinc/36/68/07/558366807.db2.gz PDVZPDYYEXQMRW-ZEQRLZLVSA-N 0 3 403.522 4.532 40 0 HJABHN CC(C)(C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293564 558366812 /nfs/dbraw/zinc/36/68/12/558366812.db2.gz JDWBHSUFEBWAMY-YADHBBJMSA-N 0 3 413.533 4.507 40 0 HJABHN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329834 558384812 /nfs/dbraw/zinc/38/48/12/558384812.db2.gz LDSKHFAHKGVVLZ-WOJBJXKFSA-N 0 3 422.352 4.686 40 0 HJABHN O=C(NCCSCc1cccc(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000039772905 558686240 /nfs/dbraw/zinc/68/62/40/558686240.db2.gz YXWITJUJWDCNIA-UHFFFAOYSA-N 0 3 402.991 4.602 40 0 HJABHN CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1OCC ZINC000039753493 558687401 /nfs/dbraw/zinc/68/74/01/558687401.db2.gz LRSOPVNOSSPRIE-IBGZPJMESA-N 0 3 410.558 4.573 40 0 HJABHN COC(=O)c1cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)ccc1Cl ZINC000030938934 558745157 /nfs/dbraw/zinc/74/51/57/558745157.db2.gz CMZWWEGXQHZBSK-UHFFFAOYSA-N 0 3 400.906 4.611 40 0 HJABHN O=c1c(CN(CCCn2ccnc2)C[C@H]2CC=CCC2)coc2ccc(Cl)cc12 ZINC000036740216 558801554 /nfs/dbraw/zinc/80/15/54/558801554.db2.gz VGHVKCYAPNNSQC-SFHVURJKSA-N 0 3 411.933 4.892 40 0 HJABHN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833988 558817362 /nfs/dbraw/zinc/81/73/62/558817362.db2.gz HAEUJBQDCAAIPQ-HNNXBMFYSA-N 0 3 407.739 4.953 40 0 HJABHN O=C(NCCSCc1ccccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038837429 558818140 /nfs/dbraw/zinc/81/81/40/558818140.db2.gz RLKUDEIDOWBVKO-SFHVURJKSA-N 0 3 420.981 4.741 40 0 HJABHN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039752439 558822580 /nfs/dbraw/zinc/82/25/80/558822580.db2.gz WJGQQRYBSXDMKU-UHFFFAOYSA-N 0 3 402.513 4.944 40 0 HJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C1=O ZINC000101028598 558825253 /nfs/dbraw/zinc/82/52/53/558825253.db2.gz TXMYRMUHOJDGJQ-BDTNDASRSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019236820 558855878 /nfs/dbraw/zinc/85/58/78/558855878.db2.gz CYNZVDQDPCZVBW-OFVILXPXSA-N 0 3 417.528 4.912 40 0 HJABHN CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000019450327 558888812 /nfs/dbraw/zinc/88/88/12/558888812.db2.gz MDECPGCCCQVRGH-UHFFFAOYSA-N 0 3 405.521 4.878 40 0 HJABHN CC(C)c1ccc(CN2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cc1 ZINC000019453222 558890802 /nfs/dbraw/zinc/89/08/02/558890802.db2.gz SBBCKIXVVKGWTP-JOCHJYFZSA-N 0 3 418.541 4.503 40 0 HJABHN CCOCc1cc(CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)ccc1OC ZINC000019531115 558911690 /nfs/dbraw/zinc/91/16/90/558911690.db2.gz KAQYOCVNGUWUSE-UHFFFAOYSA-N 0 3 423.475 4.734 40 0 HJABHN Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(c2cc(=O)[n-]c(-c3ccncc3)n2)CC1 ZINC000019565488 558925480 /nfs/dbraw/zinc/92/54/80/558925480.db2.gz RCQCPWSOHXTMFV-UHFFFAOYSA-N 0 3 417.488 4.553 40 0 HJABHN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2c[nH]nc2C(C)(C)C)C1 ZINC000019568870 558927900 /nfs/dbraw/zinc/92/79/00/558927900.db2.gz PXKLTANHUDJYHZ-CYBMUJFWSA-N 0 3 421.467 4.950 40 0 HJABHN COc1ccccc1CN1CCC([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019570096 558928891 /nfs/dbraw/zinc/92/88/91/558928891.db2.gz DKGNZXGTOMIJHE-AREMUKBSSA-N 0 3 421.585 4.740 40 0 HJABHN COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCCC1 ZINC000019570551 558929290 /nfs/dbraw/zinc/92/92/90/558929290.db2.gz ZMSYTYZZGNSINU-VABKMULXSA-N 0 3 424.610 4.763 40 0 HJABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000072330498 558934804 /nfs/dbraw/zinc/93/48/04/558934804.db2.gz POCFLAXVMYQDQM-YKSBVNFPSA-N 0 3 421.491 4.743 40 0 HJABHN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072330439 558934836 /nfs/dbraw/zinc/93/48/36/558934836.db2.gz AHYXWHRDNZKYSF-OFVILXPXSA-N 0 3 409.549 4.871 40 0 HJABHN Cc1nn(-c2ccccc2C)c(C)c1CN1CCC([C@@]2(C)CCCCN(C)C2=O)CC1 ZINC000072372000 558959323 /nfs/dbraw/zinc/95/93/23/558959323.db2.gz PSJYNJCFGSXIHL-AREMUKBSSA-N 0 3 422.617 4.658 40 0 HJABHN COc1cc2c(cc1CN1CCC[C@@H]1c1cc(Nc3cnccn3)cc(C)n1)CCC2 ZINC000072372635 558960314 /nfs/dbraw/zinc/96/03/14/558960314.db2.gz FWHNUIHPXDVLFJ-HSZRJFAPSA-N 0 3 415.541 4.758 40 0 HJABHN COc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cc1 ZINC000096038323 559091915 /nfs/dbraw/zinc/09/19/15/559091915.db2.gz IVQABCFYWHWFFT-UHFFFAOYSA-N 0 3 413.525 4.861 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052674 559092266 /nfs/dbraw/zinc/09/22/66/559092266.db2.gz ZIGRJVKLWVLJRB-NRFANRHFSA-N 0 3 406.545 4.763 40 0 HJABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053465 559093399 /nfs/dbraw/zinc/09/33/99/559093399.db2.gz SDYTWPCIBBZWED-FQEVSTJZSA-N 0 3 412.599 4.908 40 0 HJABHN COc1ccc(-c2nc(C3CCN(Cc4ccoc4)CC3)cc3c2ncn3C)cc1 ZINC000096099978 559095272 /nfs/dbraw/zinc/09/52/72/559095272.db2.gz BQABYGQHZNYSLW-UHFFFAOYSA-N 0 3 402.498 4.617 40 0 HJABHN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000095483639 560558243 /nfs/dbraw/zinc/55/82/43/560558243.db2.gz FNBXZQRPOLLYGF-FHWLQOOXSA-N 0 3 419.308 4.718 40 0 HJABHN COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107587 568475387 /nfs/dbraw/zinc/47/53/87/568475387.db2.gz VVKLBOPOWVGVDO-LJQANCHMSA-N 0 3 403.931 4.812 40 0 HJABHN CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225662835 568661377 /nfs/dbraw/zinc/66/13/77/568661377.db2.gz UBNRRRAXCYOQDU-GBXCKJPGSA-N 0 3 402.579 4.865 40 0 HJABHN Cc1cc(Nc2ncccn2)cc(C2CCN(Cc3ccc4ncccc4c3)CC2)n1 ZINC000257281025 568798796 /nfs/dbraw/zinc/79/87/96/568798796.db2.gz ONIWZGAMGAWQDQ-UHFFFAOYSA-N 0 3 410.525 4.851 40 0 HJABHN O=C(CN1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257308343 568806838 /nfs/dbraw/zinc/80/68/38/568806838.db2.gz TWJZJBYXBJDIKD-LJQANCHMSA-N 0 3 415.965 4.501 40 0 HJABHN Cc1nc(NC2CCCCC2)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000328984875 568971407 /nfs/dbraw/zinc/97/14/07/568971407.db2.gz HPULMMDQXIAJLR-UHFFFAOYSA-N 0 3 401.352 4.855 40 0 HJABHN COc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)n[nH]2)cc1 ZINC000035317082 569052291 /nfs/dbraw/zinc/05/22/91/569052291.db2.gz LWLUTRYEUPOGNL-KRWDZBQOSA-N 0 3 404.514 4.712 40 0 HJABHN C[C@@H]1Cc2cc(CN3CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000253594242 569318301 /nfs/dbraw/zinc/31/83/01/569318301.db2.gz SWRULZWHTDBBPH-LJFZDNNRSA-N 0 3 421.585 4.521 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCSCc3cccc(Cl)c3)CC2)c1 ZINC000009063011 569342224 /nfs/dbraw/zinc/34/22/24/569342224.db2.gz WKIHOAPVYTYKEU-UHFFFAOYSA-N 0 3 417.018 4.910 40 0 HJABHN COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019570240 569345819 /nfs/dbraw/zinc/34/58/19/569345819.db2.gz BFNRFIIFQPRIMC-WMZHIEFXSA-N 0 3 421.566 4.535 40 0 HJABHN O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccn2)C1 ZINC000020503197 575369336 /nfs/dbraw/zinc/36/93/36/575369336.db2.gz CPMFUXQEZPPEGB-PKOBYXMFSA-N 0 3 413.546 4.744 40 0 biogenic,in-vitro HJABHN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(-c4ccccn4)cc2)C3)cc1 ZINC000096269343 291279533 /nfs/dbraw/zinc/27/95/33/291279533.db2.gz CIJLCXIVYLGORU-QHCPKHFHSA-N 0 3 410.521 4.609 40 0 biogenic,in-vitro HJABHN O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 ZINC000005433829 291280719 /nfs/dbraw/zinc/28/07/19/291280719.db2.gz GDLUKZBMRQOGHO-FUHWJXTLSA-N 0 3 402.519 4.942 40 0 biogenic,in-vitro HJABHN O=c1c(/C=C/c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccn2)C1 ZINC000003841854 291280740 /nfs/dbraw/zinc/28/07/40/291280740.db2.gz OEPJMBSJAJUBFK-ZJXRNUBLSA-N 0 3 417.940 4.686 40 0 biogenic,in-vitro HJABHN CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044916109 519782753 /nfs/dbraw/zinc/78/27/53/519782753.db2.gz FSWZHEZTISLMBX-JOCHJYFZSA-N 0 3 412.549 4.574 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCCc3cccc(OC(C)C)c3)CC2)cc1 ZINC000044916138 524434922 /nfs/dbraw/zinc/43/49/22/524434922.db2.gz JYASCGCNEWXJOV-UHFFFAOYSA-N 0 3 408.586 4.743 40 0 HJABHN Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccc(F)cc3)CC1)CC(C)(C)O2 ZINC000044855245 526199005 /nfs/dbraw/zinc/19/90/05/526199005.db2.gz GLRHQTUKNROOSV-JOCHJYFZSA-N 0 3 410.533 4.765 40 0 HJABHN O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044906343 526271732 /nfs/dbraw/zinc/27/17/32/526271732.db2.gz GHRVXQLNSALGTD-LJQANCHMSA-N 0 3 405.369 4.954 40 0 HJABHN Cc1nccn1-c1ccc(CN(CCCn2ccnc2)Cc2ccccc2F)cc1 ZINC000043277848 527367877 /nfs/dbraw/zinc/36/78/77/527367877.db2.gz PNADAFLDYLIQFD-UHFFFAOYSA-N 0 3 403.505 4.609 40 0 HJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cc3ccccc3nc2N(C)C)s1 ZINC000012147031 558338091 /nfs/dbraw/zinc/33/80/91/558338091.db2.gz ZANJUKLUWMTOOC-UHFFFAOYSA-N 0 3 419.598 4.960 40 0 HJABHN Cc1cc(-c2cnc(NC[C@H](c3ccc(F)cc3)N(C)C)nc2-c2ccoc2C)on1 ZINC000012251515 558362236 /nfs/dbraw/zinc/36/22/36/558362236.db2.gz RFGBBGPSBGVLRP-HXUWFJFHSA-N 0 3 421.476 4.862 40 0 HJABHN Clc1ccccc1COc1ccc2ccccc2c1CNCCCN1CCOCC1 ZINC000022074038 558462223 /nfs/dbraw/zinc/46/22/23/558462223.db2.gz INJIEKXNCXACLS-UHFFFAOYSA-N 0 3 424.972 4.884 40 0 HJABHN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000013680153 558566223 /nfs/dbraw/zinc/56/62/23/558566223.db2.gz PWGCRMSVBXNMDU-UHFFFAOYSA-N 0 3 405.542 4.551 40 0 HJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000013713509 558577373 /nfs/dbraw/zinc/57/73/73/558577373.db2.gz GRYBUPGQWXZFDB-SGNDLWITSA-N 0 3 412.489 4.609 40 0 HJABHN O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030938560 558745127 /nfs/dbraw/zinc/74/51/27/558745127.db2.gz YBCRIHYJZRWQAI-CQSZACIVSA-N 0 3 409.274 4.578 40 0 HJABHN CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038855165 558819188 /nfs/dbraw/zinc/81/91/88/558819188.db2.gz AZABBRGIVUYUCZ-UHFFFAOYSA-N 0 3 407.558 4.557 40 0 HJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C1=O ZINC000101047498 558825822 /nfs/dbraw/zinc/82/58/22/558825822.db2.gz FSNRYIANYKCYPE-VSKRKVRLSA-N 0 3 418.880 4.700 40 0 HJABHN CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CCN(Cc4ccncc4)CC3)cc2n1 ZINC000019083848 558840619 /nfs/dbraw/zinc/84/06/19/558840619.db2.gz AHFMYVTWXZZVAP-UHFFFAOYSA-N 0 3 417.479 4.820 40 0 HJABHN CCCC[C@@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000013757640 558865498 /nfs/dbraw/zinc/86/54/98/558865498.db2.gz XMMKDNVRLXROGB-DHWLSRIRSA-N 0 3 410.489 4.721 40 0 HJABHN O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccsc2)C1 ZINC000019370918 558879057 /nfs/dbraw/zinc/87/90/57/558879057.db2.gz TWANSWJNDYJRDR-DHLKQENFSA-N 0 3 419.594 4.845 40 0 HJABHN CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2cccnc2)C1 ZINC000019449592 558887989 /nfs/dbraw/zinc/88/79/89/558887989.db2.gz PGIHKKGNNIHGLW-VWLOTQADSA-N 0 3 419.594 4.770 40 0 HJABHN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2cccnc2)C1 ZINC000019449590 558888018 /nfs/dbraw/zinc/88/80/18/558888018.db2.gz PGIHKKGNNIHGLW-RUZDIDTESA-N 0 3 419.594 4.770 40 0 HJABHN CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccncc2)C1 ZINC000019449625 558888311 /nfs/dbraw/zinc/88/83/11/558888311.db2.gz XXCAYAVYCCBPKR-VWLOTQADSA-N 0 3 419.594 4.770 40 0 HJABHN COc1ccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 ZINC000019554976 558917891 /nfs/dbraw/zinc/91/78/91/558917891.db2.gz QLCGPQOOOVIBTM-HSZRJFAPSA-N 0 3 421.566 4.535 40 0 HJABHN COc1cccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 ZINC000019564876 558925038 /nfs/dbraw/zinc/92/50/38/558925038.db2.gz AKRUZPOZNCMKMX-QHCPKHFHSA-N 0 3 421.566 4.535 40 0 HJABHN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072330438 558934723 /nfs/dbraw/zinc/93/47/23/558934723.db2.gz AHYXWHRDNZKYSF-BWKNWUBXSA-N 0 3 409.549 4.871 40 0 HJABHN COc1cccc(CN[C@H](Cc2cc(N(C)C)nc(C3CC3)n2)c2ccccc2)c1 ZINC000019584274 558938326 /nfs/dbraw/zinc/93/83/26/558938326.db2.gz SHSBWCGWVJZANV-HSZRJFAPSA-N 0 3 402.542 4.502 40 0 HJABHN CN(Cc1ccccc1)C[C@H](O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000019586523 558939681 /nfs/dbraw/zinc/93/96/81/558939681.db2.gz IFWGEOSMPBRJOL-VWLOTQADSA-N 0 3 418.512 4.584 40 0 HJABHN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072345961 558942545 /nfs/dbraw/zinc/94/25/45/558942545.db2.gz BLZWHMCJTFGZRN-QGZVFWFLSA-N 0 3 413.447 4.519 40 0 HJABHN Cn1cc(CN2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000019690309 558959579 /nfs/dbraw/zinc/95/95/79/558959579.db2.gz ZTJMPQXKZLCCCE-FQEVSTJZSA-N 0 3 414.475 4.804 40 0 HJABHN COc1cccc(-c2ccc3nc(C4CCN(Cc5ccsc5)CC4)nn3c2)c1 ZINC000096038220 559091946 /nfs/dbraw/zinc/09/19/46/559091946.db2.gz NDSSZEDEAMYISO-UHFFFAOYSA-N 0 3 404.539 4.846 40 0 HJABHN CC(C)CNC(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053511 559093589 /nfs/dbraw/zinc/09/35/89/559093589.db2.gz KMFULCUSOCOWDQ-FQEVSTJZSA-N 0 3 412.599 4.811 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000100626370 559137116 /nfs/dbraw/zinc/13/71/16/559137116.db2.gz FNZHQOGUUKMVSU-ZCNNSNEGSA-N 0 3 424.909 4.761 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102759510 559152643 /nfs/dbraw/zinc/15/26/43/559152643.db2.gz BLRJGWCBCDORJS-HKBOAZHASA-N 0 3 422.843 4.530 40 0 HJABHN C[C@@]12C(=O)N(c3ccc(Cl)cc3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004957691 568427254 /nfs/dbraw/zinc/42/72/54/568427254.db2.gz JMURSCATIIKWMK-IMSXRSKXSA-N 0 3 418.880 4.781 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)c1 ZINC000005119282 568437635 /nfs/dbraw/zinc/43/76/35/568437635.db2.gz GLTQFBFWISJYOZ-BDTNDASRSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)c(C)c1 ZINC000101220829 568501841 /nfs/dbraw/zinc/50/18/41/568501841.db2.gz HFOLDOQWPQYRAR-SMIHKQSGSA-N 0 3 412.489 4.663 40 0 HJABHN O=C(NCCOc1ccc2ccccc2c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223637665 568554350 /nfs/dbraw/zinc/55/43/50/568554350.db2.gz UBXGJKPQTQIBBR-JOCHJYFZSA-N 0 3 422.956 4.900 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCOc3ccccc3C(C)(C)C)CC2)cc1 ZINC000223717085 568557177 /nfs/dbraw/zinc/55/71/77/568557177.db2.gz RMBYXNRZSJLZJI-UHFFFAOYSA-N 0 3 408.586 4.700 40 0 HJABHN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 ZINC000224227225 568574445 /nfs/dbraw/zinc/57/44/45/568574445.db2.gz CKMXNBVPEONVDI-DHIUTWEWSA-N 0 3 411.534 4.753 40 0 HJABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCOCC2)c1 ZINC000225566595 568651809 /nfs/dbraw/zinc/65/18/09/568651809.db2.gz XXHXPLFCINEZCY-UHFFFAOYSA-N 0 3 422.569 4.547 40 0 HJABHN CN1CCC(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000225800236 568675670 /nfs/dbraw/zinc/67/56/70/568675670.db2.gz ZBGFPKOENIWDTE-UHFFFAOYSA-N 0 3 409.599 4.596 40 0 HJABHN Cc1cc(Nc2cnccn2)cc(C2CCN(Cc3ccc4ncccc4c3)CC2)n1 ZINC000257238676 568787131 /nfs/dbraw/zinc/78/71/31/568787131.db2.gz HMAKKFLWNKYPFL-UHFFFAOYSA-N 0 3 410.525 4.851 40 0 HJABHN CCN1CCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)CC1 ZINC000057719607 569053718 /nfs/dbraw/zinc/05/37/18/569053718.db2.gz OVFJVFBIQJIMLI-UHFFFAOYSA-N 0 3 418.585 4.580 40 0 HJABHN C[C@H](CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000248137584 569316339 /nfs/dbraw/zinc/31/63/39/569316339.db2.gz AMPDDSIZYOYEQN-KAGYGMCKSA-N 0 3 420.582 4.525 40 0 HJABHN COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019570222 569345750 /nfs/dbraw/zinc/34/57/50/569345750.db2.gz ABLIGMZVMXTMTD-BKMJKUGQSA-N 0 3 421.585 4.740 40 0 HJABHN CC(C)n1c(CN2CC[C@@H](c3cc(COc4ccccc4)n[nH]3)C2)nc2ccccc21 ZINC000019704709 569347732 /nfs/dbraw/zinc/34/77/32/569347732.db2.gz KNNAHSVSPXTPMT-LJQANCHMSA-N 0 3 415.541 4.909 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000009428384 569392814 /nfs/dbraw/zinc/39/28/14/569392814.db2.gz LWGQZJYYCUEDKM-GVAUOCQISA-N 0 3 420.468 4.891 40 0 HJABHN CCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)ccc1Cl ZINC000044939611 521441311 /nfs/dbraw/zinc/44/13/11/521441311.db2.gz SLENRXJESSPNFU-MRXNPFEDSA-N 0 3 418.896 4.507 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCCc3cccc(OC(C)C)c3)CC2)c1 ZINC000044916134 524387184 /nfs/dbraw/zinc/38/71/84/524387184.db2.gz UDVSLVVBHYZQTM-UHFFFAOYSA-N 0 3 408.586 4.743 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 ZINC000044855226 524436343 /nfs/dbraw/zinc/43/63/43/524436343.db2.gz AOPDXRLFFAOOBM-QHCPKHFHSA-N 0 3 406.570 4.934 40 0 HJABHN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044852670 525304322 /nfs/dbraw/zinc/30/43/22/525304322.db2.gz DIICXXXABWXOGN-OAQYLSRUSA-N 0 3 414.549 4.751 40 0 HJABHN COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3cccc(C)c3)CC1)CC(C)(C)O2 ZINC000044855520 525573709 /nfs/dbraw/zinc/57/37/09/525573709.db2.gz FAQZFZKJNWJWDB-QHCPKHFHSA-N 0 3 422.569 4.634 40 0 HJABHN Cc1ccc(-n2cccc2CN(CCCn2ccnc2)Cc2cccc(F)c2)nc1 ZINC000043277732 525912252 /nfs/dbraw/zinc/91/22/52/525912252.db2.gz ZNUSOWPNOKWGGO-UHFFFAOYSA-N 0 3 403.505 4.609 40 0 HJABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293615 558366755 /nfs/dbraw/zinc/36/67/55/558366755.db2.gz PDVZPDYYEXQMRW-DNQXCXABSA-N 0 3 403.522 4.532 40 0 HJABHN CC(C)(C)c1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293567 558366775 /nfs/dbraw/zinc/36/67/75/558366775.db2.gz JDWBHSUFEBWAMY-FGZHOGPDSA-N 0 3 413.533 4.507 40 0 HJABHN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293604 558366817 /nfs/dbraw/zinc/36/68/17/558366817.db2.gz IVUFUDXYAVTLJF-DQEYMECFSA-N 0 3 417.549 4.841 40 0 HJABHN COc1cc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)ccc1OC(C)C ZINC000020456261 558369680 /nfs/dbraw/zinc/36/96/80/558369680.db2.gz SGXUOOXTJBAFJH-UHFFFAOYSA-N 0 3 410.558 4.644 40 0 HJABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 ZINC000012329855 558384826 /nfs/dbraw/zinc/38/48/26/558384826.db2.gz JPDYXERKSBHLFN-DHIUTWEWSA-N 0 3 423.940 4.877 40 0 HJABHN O=C(NCCSCc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039742653 558686904 /nfs/dbraw/zinc/68/69/04/558686904.db2.gz DJCQFXWLGNWKJU-UHFFFAOYSA-N 0 3 420.981 4.741 40 0 HJABHN O=C(Nc1ccccc1Br)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038834882 558817862 /nfs/dbraw/zinc/81/78/62/558817862.db2.gz DCUDODIPSVJOGB-OAHLLOKOSA-N 0 3 407.739 4.953 40 0 HJABHN COc1ccc(C)cc1CN1CCC(c2n[nH]cc2C(=O)N(C)C2CCCCC2)CC1 ZINC000019133345 558845794 /nfs/dbraw/zinc/84/57/94/558845794.db2.gz JUUXHEUHBXHMBJ-UHFFFAOYSA-N 0 3 424.589 4.511 40 0 HJABHN Cc1cnccc1CN1CCC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019239517 558858011 /nfs/dbraw/zinc/85/80/11/558858011.db2.gz PNHAIGLWJIJXJO-QGZVFWFLSA-N 0 3 417.479 4.955 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000013749281 558863572 /nfs/dbraw/zinc/86/35/72/558863572.db2.gz CNTPOBMIWIPEHC-FKBYEOEOSA-N 0 3 418.880 4.700 40 0 HJABHN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccncc2)C1 ZINC000019449633 558888210 /nfs/dbraw/zinc/88/82/10/558888210.db2.gz WEUOTDIIIKOIMM-VWLOTQADSA-N 0 3 419.594 4.770 40 0 HJABHN CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccccc3F)CC2)n1 ZINC000019450340 558888890 /nfs/dbraw/zinc/88/88/90/558888890.db2.gz HPILKWNORSCBNM-UHFFFAOYSA-N 0 3 405.521 4.878 40 0 HJABHN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4ccncc4)C3)cc2n1 ZINC000019452290 558890129 /nfs/dbraw/zinc/89/01/29/558890129.db2.gz QMNCDPOBKVPWBZ-INIZCTEOSA-N 0 3 403.452 4.646 40 0 HJABHN O=C(C1CCC1)N1CCc2c3ccccc3[nH]c2C12CCN(Cc1ccccc1)CC2 ZINC000072325652 558933348 /nfs/dbraw/zinc/93/33/48/558933348.db2.gz CBIGLVGSBGSREQ-UHFFFAOYSA-N 0 3 413.565 4.844 40 0 HJABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000072330499 558934744 /nfs/dbraw/zinc/93/47/44/558934744.db2.gz POCFLAXVMYQDQM-RDPSFJRHSA-N 0 3 421.491 4.743 40 0 HJABHN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000072330442 558934842 /nfs/dbraw/zinc/93/48/42/558934842.db2.gz GVMOOXRARZPCAJ-BWKNWUBXSA-N 0 3 409.549 4.871 40 0 HJABHN COc1ccc(C)cc1CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072330774 558935174 /nfs/dbraw/zinc/93/51/74/558935174.db2.gz FFUFRNCBEZQEJL-XXBNENTESA-N 0 3 409.574 4.514 40 0 HJABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352456 558948700 /nfs/dbraw/zinc/94/87/00/558948700.db2.gz IYQXBHJSWMYSBF-GOSISDBHSA-N 0 3 401.535 4.799 40 0 HJABHN CN(C)Cc1ccc(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000072361051 558955996 /nfs/dbraw/zinc/95/59/96/558955996.db2.gz VDQDNTOOLLNHAD-QFIPXVFZSA-N 0 3 417.528 4.969 40 0 HJABHN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000072372695 558960619 /nfs/dbraw/zinc/96/06/19/558960619.db2.gz MFIXDYRVMWKUJR-JOCHJYFZSA-N 0 3 415.541 4.974 40 0 HJABHN Cc1cc(-c2cncnc2)cc([C@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000019690998 558960661 /nfs/dbraw/zinc/96/06/61/558960661.db2.gz DCKCWDUIJIZUMN-HSZRJFAPSA-N 0 3 400.526 4.898 40 0 HJABHN CCOc1ccc(COC)cc1CN1CCC(c2cc(-c3cn[nH]c3)cc(C)n2)CC1 ZINC000019692134 558961615 /nfs/dbraw/zinc/96/16/15/558961615.db2.gz UIQYCWWNPVUSKN-UHFFFAOYSA-N 0 3 420.557 4.705 40 0 HJABHN Cc1ccc(CN2CCC3(CC2)c2ncc(-c4ccc(C)cc4)n2CCN3C)s1 ZINC000096037084 559090924 /nfs/dbraw/zinc/09/09/24/559090924.db2.gz IEYWTJXNBIPOHM-UHFFFAOYSA-N 0 3 406.599 4.665 40 0 HJABHN COc1cccc(-c2ccc3nc(C4CCN(Cc5ccc(C)o5)CC4)nn3c2)c1 ZINC000096038223 559091936 /nfs/dbraw/zinc/09/19/36/559091936.db2.gz XVHBVFRIWKZFHB-UHFFFAOYSA-N 0 3 402.498 4.686 40 0 HJABHN O=C(c1cscn1)N1CC[C@]2(CCN(Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096203118 559101201 /nfs/dbraw/zinc/10/12/01/559101201.db2.gz IYUCZSCHAIZYFF-DEOSSOPVSA-N 0 3 403.551 4.548 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3F)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102759505 559152584 /nfs/dbraw/zinc/15/25/84/559152584.db2.gz BLRJGWCBCDORJS-ACRUOGEOSA-N 0 3 422.843 4.530 40 0 HJABHN COCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008469066 560755244 /nfs/dbraw/zinc/75/52/44/560755244.db2.gz UUOVAHJTACCNAY-UHFFFAOYSA-N 0 3 404.721 4.970 40 0 HJABHN O=C(Nc1ccc(I)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000010369086 560818807 /nfs/dbraw/zinc/81/88/07/560818807.db2.gz YIYOWCLHVVOJAZ-UHFFFAOYSA-N 0 3 420.294 4.529 40 0 HJABHN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000022913812 568500524 /nfs/dbraw/zinc/50/05/24/568500524.db2.gz OYUFVKZGNALTQT-UHFFFAOYSA-N 0 3 414.505 4.674 40 0 HJABHN COc1ccc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1OCc1ccccc1 ZINC000224086603 568569343 /nfs/dbraw/zinc/56/93/43/568569343.db2.gz ZZVRTZNHXPQCIY-CAOCKLPOSA-N 0 3 418.581 4.604 40 0 HJABHN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 ZINC000224227064 568574440 /nfs/dbraw/zinc/57/44/40/568574440.db2.gz CKMXNBVPEONVDI-GOTSBHOMSA-N 0 3 411.534 4.753 40 0 HJABHN C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000225901057 568684490 /nfs/dbraw/zinc/68/44/90/568684490.db2.gz ABWVONLBYQGXMU-FUHWJXTLSA-N 0 3 413.359 4.639 40 0 HJABHN COc1cc(C)ccc1CN1CCC(c2cncc(Nc3ncccc3C)n2)CC1 ZINC000257208512 568778668 /nfs/dbraw/zinc/77/86/68/568778668.db2.gz BMLSWUDPOGMMQM-UHFFFAOYSA-N 0 3 403.530 4.620 40 0 HJABHN CCn1cc(CN2CC[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257258781 568792492 /nfs/dbraw/zinc/79/24/92/568792492.db2.gz KVMNTDDNIHGAED-SFHVURJKSA-N 0 3 410.591 4.721 40 0 HJABHN CCc1ccc(CN2CCCC[C@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)cc1 ZINC000257259102 568792709 /nfs/dbraw/zinc/79/27/09/568792709.db2.gz KWVKLSDUOBEXQO-DEOSSOPVSA-N 0 3 416.569 4.972 40 0 HJABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000257277611 568797729 /nfs/dbraw/zinc/79/77/29/568797729.db2.gz NYSOWCJRIJGYNO-KRWDZBQOSA-N 0 3 401.535 4.799 40 0 HJABHN Cc1ccccc1CN1CCCC[C@@H]1c1[nH]ncc1C(=O)N(C)Cc1ccccc1 ZINC000257298200 568803934 /nfs/dbraw/zinc/80/39/34/568803934.db2.gz RKPPATMXPDPCNO-HSZRJFAPSA-N 0 3 402.542 4.718 40 0 HJABHN C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](C[C@@H]4[C@H]3C[C@@H](O)[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]2CN2C[C@@H](C)CC[C@@H]12 ZINC000584567105 569048212 /nfs/dbraw/zinc/04/82/12/569048212.db2.gz NEMWYOKGHGSVSC-GSGWVTHISA-N 0 3 415.662 4.563 40 0 HJABHN FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCN3C[C@H]3CCOC3)nn21 ZINC000247663413 569315484 /nfs/dbraw/zinc/31/54/84/569315484.db2.gz UQQTWWUFYFFZMD-CJNGLKHVSA-N 0 3 422.476 4.650 40 0 HJABHN COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019570238 569345770 /nfs/dbraw/zinc/34/57/70/569345770.db2.gz BFNRFIIFQPRIMC-AUSIDOKSSA-N 0 3 421.566 4.535 40 0 HJABHN CC(C)c1ccc(OCc2cc([C@H]3CCN(Cc4cccnc4N(C)C)C3)n[nH]2)cc1 ZINC000019704270 569347580 /nfs/dbraw/zinc/34/75/80/569347580.db2.gz WDBHFFVNRRPQNS-FQEVSTJZSA-N 0 3 419.573 4.563 40 0 HJABHN Cc1ccccc1CN1C(=O)CCCC[C@H]2N(Cc3cnc(C(C)C)nc3)CC[C@]21C ZINC000019713380 569348380 /nfs/dbraw/zinc/34/83/80/569348380.db2.gz VJGXKKFNXJYXOW-ZEQKJWHPSA-N 0 3 420.601 4.844 40 0 HJABHN CC(C)(C)[C@@H]1CCc2onc(C(=O)NC3(CN4CCCCC4)CCCCC3)c2C1 ZINC000141544882 569354703 /nfs/dbraw/zinc/35/47/03/569354703.db2.gz VILZYWKVUKDHEM-GOSISDBHSA-N 0 3 401.595 4.744 40 0 HJABHN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018142917 569383705 /nfs/dbraw/zinc/38/37/05/569383705.db2.gz AFZQLWRVIQBPGG-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000018142917 569383706 /nfs/dbraw/zinc/38/37/06/569383706.db2.gz AFZQLWRVIQBPGG-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039768381 558686247 /nfs/dbraw/zinc/68/62/47/558686247.db2.gz PNFVDGZXDARZBK-UHFFFAOYSA-N 0 3 406.954 4.600 40 0 HJABHN CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000030753812 558736405 /nfs/dbraw/zinc/73/64/05/558736405.db2.gz VRZCLLQAXFYJOU-UHFFFAOYSA-N 0 3 407.558 4.701 40 0 HJABHN C[C@H](O)CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016576470 558796198 /nfs/dbraw/zinc/79/61/98/558796198.db2.gz UFJWAWLCPUUMFY-NSHDSACASA-N 0 3 419.146 4.805 40 0 HJABHN C[C@@H]1CCCC[C@H]1N1C(=O)C(CC(=O)Nc2ccccc2)n2c3ccccc3nc21 ZINC000039964056 558823004 /nfs/dbraw/zinc/82/30/04/558823004.db2.gz ARQJGEPDWWYSNZ-OZOXKJRCSA-N 0 3 402.498 4.532 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000101028635 558825233 /nfs/dbraw/zinc/82/52/33/558825233.db2.gz MUTCSHDRYWFKDV-DSITVLBTSA-N 0 3 420.468 4.891 40 0 HJABHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000018091277 558830994 /nfs/dbraw/zinc/83/09/94/558830994.db2.gz GOYZKYVQWGNNAH-NJYVYQBISA-N 0 3 422.843 4.530 40 0 HJABHN CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]21 ZINC000019081620 558839750 /nfs/dbraw/zinc/83/97/50/558839750.db2.gz FRXXGBMAZICIOK-NJDAHSKKSA-N 0 3 400.563 4.750 40 0 HJABHN Cc1cnccc1CN1CCC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019239518 558858088 /nfs/dbraw/zinc/85/80/88/558858088.db2.gz PNHAIGLWJIJXJO-KRWDZBQOSA-N 0 3 417.479 4.955 40 0 HJABHN O=C(c1cc2ccccc2nc1C1CCN(Cc2ccccc2F)CC1)N1CCCC1 ZINC000019376243 558882375 /nfs/dbraw/zinc/88/23/75/558882375.db2.gz DXZIDXXPJPKRTI-UHFFFAOYSA-N 0 3 417.528 4.990 40 0 HJABHN COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4ccsc4)C[C@@H]32)cc1 ZINC000019557788 558919833 /nfs/dbraw/zinc/91/98/33/558919833.db2.gz OCMZQLZTVRFGDY-WXFUMESZSA-N 0 3 424.610 4.763 40 0 HJABHN COc1cccc([C@@H]2CN(C(=O)C3CCCC3)[C@H]3CCN(Cc4ccsc4)C[C@@H]23)c1 ZINC000019566163 558925948 /nfs/dbraw/zinc/92/59/48/558925948.db2.gz JXRXTVZJCMWCGM-HJOGWXRNSA-N 0 3 424.610 4.763 40 0 HJABHN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352548 558948980 /nfs/dbraw/zinc/94/89/80/558948980.db2.gz UGMSADZRCSMSJC-GOSISDBHSA-N 0 3 416.550 4.536 40 0 HJABHN CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ccnn1C ZINC000072370756 558957226 /nfs/dbraw/zinc/95/72/26/558957226.db2.gz PNUDHIHDLYTAGP-GOSISDBHSA-N 0 3 424.614 4.760 40 0 HJABHN Cc1nn(-c2ccccc2C)c(C)c1CN1CCC([C@]2(C)CCCCN(C)C2=O)CC1 ZINC000072371999 558959320 /nfs/dbraw/zinc/95/93/20/558959320.db2.gz PSJYNJCFGSXIHL-SANMLTNESA-N 0 3 422.617 4.658 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102759874 559152639 /nfs/dbraw/zinc/15/26/39/559152639.db2.gz CGTHHUAWOJLGOO-HKBOAZHASA-N 0 3 422.843 4.530 40 0 HJABHN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000102750785 560731929 /nfs/dbraw/zinc/73/19/29/560731929.db2.gz AFZQLWRVIQBPGG-BHIFYINESA-N 0 3 418.880 4.700 40 0 HJABHN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC000011948406 560775823 /nfs/dbraw/zinc/77/58/23/560775823.db2.gz PHRLEOJPYOUEKU-UHFFFAOYSA-N 0 3 409.917 4.994 40 0 HJABHN Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000020121607 560880856 /nfs/dbraw/zinc/88/08/56/560880856.db2.gz ZKCFCARIMYYOFO-XMMPIXPASA-N 0 3 422.621 4.526 40 0 HJABHN C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)C1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004908922 568423066 /nfs/dbraw/zinc/42/30/66/568423066.db2.gz JRYISFBJRDAFHH-LGVFNWMJSA-N 0 3 418.880 4.781 40 0 HJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 ZINC000005092022 568433238 /nfs/dbraw/zinc/43/32/38/568433238.db2.gz GRSVHQCKZAIOBQ-QTJGBDASSA-N 0 3 412.489 4.663 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCOc3ccc4ccccc4c3)CC2)c1 ZINC000223625371 568553723 /nfs/dbraw/zinc/55/37/23/568553723.db2.gz GCTDLETYUKXPGB-UHFFFAOYSA-N 0 3 402.538 4.555 40 0 HJABHN CC(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223826336 568560073 /nfs/dbraw/zinc/56/00/73/568560073.db2.gz CUSSSVWTAGNGAN-FQEVSTJZSA-N 0 3 414.977 4.871 40 0 HJABHN CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)s1 ZINC000223830618 568560193 /nfs/dbraw/zinc/56/01/93/568560193.db2.gz UXVVAKKZSAHRRK-UHFFFAOYSA-N 0 3 404.605 4.770 40 0 HJABHN Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000224391853 568580016 /nfs/dbraw/zinc/58/00/16/568580016.db2.gz GHXUMOPQFCWOSF-FCHUYYIVSA-N 0 3 415.497 4.584 40 0 HJABHN COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000225670397 568662479 /nfs/dbraw/zinc/66/24/79/568662479.db2.gz MLHLWPUIJVPTBQ-IBGZPJMESA-N 0 3 400.522 4.745 40 0 HJABHN CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225715060 568666982 /nfs/dbraw/zinc/66/69/82/568666982.db2.gz GMQQFSBSJNCBED-YKSBVNFPSA-N 0 3 402.579 4.721 40 0 HJABHN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000019702126 569347449 /nfs/dbraw/zinc/34/74/49/569347449.db2.gz DQNZFHOJBKTQII-QGZVFWFLSA-N 0 3 416.550 4.536 40 0 HJABHN COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2Cc2c(C)cc(OC)c(C)c2C)cc1 ZINC000019713935 569348511 /nfs/dbraw/zinc/34/85/11/569348511.db2.gz LWMGUXUUGBZZLR-RBZQAINGSA-N 0 3 422.569 4.613 40 0 HJABHN C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@H](O)CC[C@]54C)[C@@H]3CN2C1 ZINC000070673062 569413163 /nfs/dbraw/zinc/41/31/63/569413163.db2.gz NEMWYOKGHGSVSC-XORHUKHMSA-N 0 3 415.662 4.563 40 0 biogenic HJABHN O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cnc3ccccc3c2)C1 ZINC000020503551 575370228 /nfs/dbraw/zinc/37/02/28/575370228.db2.gz UNJPHXSXSWRKKF-NZQKXSOJSA-N 0 3 407.517 4.683 40 0 biogenic,in-vitro HJABHN C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](C[C@H]4[C@H]3C[C@@H](O)[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]2CN2C[C@@H](C)CC[C@@H]12 ZINC000100038283 291278798 /nfs/dbraw/zinc/27/87/98/291278798.db2.gz NEMWYOKGHGSVSC-MSSYMPDSSA-N 0 3 415.662 4.563 40 0 biogenic,in-vitro HJABHN Fc1ccccc1-c1nnc([C@H]2CCN(Cc3cccc(OC(F)(F)F)c3)C2)o1 ZINC000049170592 291280026 /nfs/dbraw/zinc/28/00/26/291280026.db2.gz JRYQSXKTGFTVAM-AWEZNQCLSA-N 0 3 407.367 4.764 40 0 biogenic,in-vitro HJABHN CCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044909858 521471567 /nfs/dbraw/zinc/47/15/67/521471567.db2.gz TZQNKLKRYVAMRI-OAQYLSRUSA-N 0 3 414.977 4.700 40 0 HJABHN COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044937205 525348058 /nfs/dbraw/zinc/34/80/58/525348058.db2.gz XSQROISHEKNCPW-QPPBQGQZSA-N 0 3 412.549 4.950 40 0 HJABHN Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccc(F)cc3)CC1)CC(C)(C)O2 ZINC000044855246 526178976 /nfs/dbraw/zinc/17/89/76/526178976.db2.gz GLRHQTUKNROOSV-QFIPXVFZSA-N 0 3 410.533 4.765 40 0 HJABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000006462828 557703827 /nfs/dbraw/zinc/70/38/27/557703827.db2.gz VZHUYPFXVQEJPE-UHFFFAOYSA-N 0 3 405.498 4.982 40 0 HJABHN Fc1ccc(-c2nc3c4ccccc4nc(SCCN4CCCCC4)n3n2)cc1 ZINC000010157694 557856715 /nfs/dbraw/zinc/85/67/15/557856715.db2.gz NXLHGNLEKCIVBX-UHFFFAOYSA-N 0 3 407.518 4.662 40 0 HJABHN Cc1nc([C@@H]2CCN(Cc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753208 558272440 /nfs/dbraw/zinc/27/24/40/558272440.db2.gz WKAIHQIWLPZFJI-GOSISDBHSA-N 0 3 406.917 4.680 40 0 HJABHN COc1ccc2c(c1)NC1(CCN(CCCOc3ccccc3)CC1)c1cccn1-2 ZINC000012113298 558326853 /nfs/dbraw/zinc/32/68/53/558326853.db2.gz OYVRMXCXMMOIKM-UHFFFAOYSA-N 0 3 403.526 4.672 40 0 HJABHN Cc1nc(C2CCN(Cc3cc(C)c(O)c(C)c3)CC2)sc1-c1ccnc(C)n1 ZINC000012186141 558345449 /nfs/dbraw/zinc/34/54/49/558345449.db2.gz ZWLSVIMAUQXXDW-UHFFFAOYSA-N 0 3 408.571 4.919 40 0 HJABHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020495792 558380450 /nfs/dbraw/zinc/38/04/50/558380450.db2.gz RFHJGCFYKLXJTM-LJQANCHMSA-N 0 3 407.558 4.699 40 0 HJABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000022074782 558462486 /nfs/dbraw/zinc/46/24/86/558462486.db2.gz LUVUUVGREHCYLJ-OAQYLSRUSA-N 0 3 415.892 4.890 40 0 HJABHN CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OCC ZINC000039763683 558685779 /nfs/dbraw/zinc/68/57/79/558685779.db2.gz DTLWROKSKAOXTQ-FQEVSTJZSA-N 0 3 424.585 4.882 40 0 HJABHN O=C(NCCSCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038837426 558818155 /nfs/dbraw/zinc/81/81/55/558818155.db2.gz RLKUDEIDOWBVKO-GOSISDBHSA-N 0 3 420.981 4.741 40 0 HJABHN O=C(CC1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000039964079 558823149 /nfs/dbraw/zinc/82/31/49/558823149.db2.gz AQQSLKLZURUGOZ-NRFANRHFSA-N 0 3 402.498 4.676 40 0 HJABHN CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(CC2=CCCOC2)C1 ZINC000019452093 558889973 /nfs/dbraw/zinc/88/99/73/558889973.db2.gz NZECHMPIQYPGTM-OAHLLOKOSA-N 0 3 409.452 4.891 40 0 HJABHN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4C)C3)cc2N1 ZINC000019500878 558898851 /nfs/dbraw/zinc/89/88/51/558898851.db2.gz RWCYJNURQPBREZ-ZHALLVOQSA-N 0 3 407.484 4.664 40 0 HJABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000072330410 558934463 /nfs/dbraw/zinc/93/44/63/558934463.db2.gz KRJQTASYDODNQU-CVDCTZTESA-N 0 3 421.566 4.535 40 0 HJABHN CC(=O)NC1(c2ccccc2)CCN(Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393715 558973020 /nfs/dbraw/zinc/97/30/20/558973020.db2.gz TUMBEHDSXMNUII-UHFFFAOYSA-N 0 3 416.569 4.848 40 0 HJABHN Cc1nccn1C[C@H]1CCCN(Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715786 558976947 /nfs/dbraw/zinc/97/69/47/558976947.db2.gz BGOCFRHOGMYJJV-KRWDZBQOSA-N 0 3 409.534 4.619 40 0 HJABHN CC(C)(NC(=O)c1c(F)cccc1NCCN1CCCCC1)c1ccc(F)cc1 ZINC000066089360 558983527 /nfs/dbraw/zinc/98/35/27/558983527.db2.gz ABHWPMLJFHFMEQ-UHFFFAOYSA-N 0 3 401.501 4.528 40 0 HJABHN O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052759 559092403 /nfs/dbraw/zinc/09/24/03/559092403.db2.gz YBTZLPNSMDYYPR-HXUWFJFHSA-N 0 3 406.545 4.906 40 0 HJABHN CC(C)CNC(=O)C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053506 559093522 /nfs/dbraw/zinc/09/35/22/559093522.db2.gz WEXYPFDKBCLEEM-LJQANCHMSA-N 0 3 412.599 4.811 40 0 HJABHN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000101136942 559179399 /nfs/dbraw/zinc/17/93/99/559179399.db2.gz AFZQLWRVIQBPGG-FKBYEOEOSA-N 0 3 418.880 4.700 40 0 HJABHN NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(Cl)c2)CC1 ZINC000072345262 559181459 /nfs/dbraw/zinc/18/14/59/559181459.db2.gz DVWZOVZIHLFDCJ-UHFFFAOYSA-N 0 3 419.956 4.712 40 0 HJABHN CCCN1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 ZINC000019705439 560849597 /nfs/dbraw/zinc/84/95/97/560849597.db2.gz LBRJEIZTYULPJM-OAQYLSRUSA-N 0 3 408.995 4.810 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@@H]3C2=O)c1 ZINC000005120075 568436203 /nfs/dbraw/zinc/43/62/03/568436203.db2.gz GVADMOBWKCUKNK-BDTNDASRSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCOc3ccc4ccccc4c3)CC2)cc1 ZINC000223625434 568553717 /nfs/dbraw/zinc/55/37/17/568553717.db2.gz ZQKQZIJNYNDRAO-UHFFFAOYSA-N 0 3 402.538 4.555 40 0 HJABHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000223954369 568564362 /nfs/dbraw/zinc/56/43/62/568564362.db2.gz WWPGPFWGIMSAPJ-LJQANCHMSA-N 0 3 410.558 4.997 40 0 HJABHN Cc1ccc(OCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl ZINC000224181082 568572812 /nfs/dbraw/zinc/57/28/12/568572812.db2.gz GNMKGWOGKPEPTB-SFHVURJKSA-N 0 3 421.368 4.709 40 0 HJABHN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCCN2C ZINC000257232710 568785612 /nfs/dbraw/zinc/78/56/12/568785612.db2.gz GMAYUVIQNVJRJU-AVRDEDQJSA-N 0 3 401.551 4.737 40 0 HJABHN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CCN(Cc3ccc(C(C)C)cc3)C2)nc1C ZINC000257236625 568786752 /nfs/dbraw/zinc/78/67/52/568786752.db2.gz HCZWPYRIUGRWDZ-QHCPKHFHSA-N 0 3 422.617 4.617 40 0 HJABHN CSc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257236749 568786781 /nfs/dbraw/zinc/78/67/81/568786781.db2.gz HDPDVTJHWGSFQU-GOSISDBHSA-N 0 3 413.587 4.839 40 0 HJABHN Cc1nc(-c2ccccc2F)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C ZINC000257281950 568799164 /nfs/dbraw/zinc/79/91/64/568799164.db2.gz ORQRDSQNOKPADE-RTNRFSENSA-N 0 3 413.562 4.735 40 0 HJABHN Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)[C@@H]3Cc2ccccc2)s1 ZINC000257287504 568800827 /nfs/dbraw/zinc/80/08/27/568800827.db2.gz PQGMMKCLJOAQEH-YLYPHGCXSA-N 0 3 423.626 4.849 40 0 HJABHN CCCCNc1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2cnccn2)n1 ZINC000257320620 568810629 /nfs/dbraw/zinc/81/06/29/568810629.db2.gz VXOYOFBXZOYOCE-UHFFFAOYSA-N 0 3 420.536 4.664 40 0 HJABHN O=C(CN1CCCCCC1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257341747 568816651 /nfs/dbraw/zinc/81/66/51/568816651.db2.gz ZLUZWCZNQIWZFY-IBGZPJMESA-N 0 3 415.965 4.501 40 0 HJABHN CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN(CCO)Cc2ccccc2)cc1 ZINC000026780405 568831305 /nfs/dbraw/zinc/83/13/05/568831305.db2.gz RXSZNNUEYOEETB-QHCPKHFHSA-N 0 3 413.602 4.635 40 0 HJABHN CC(C)(C)[C@H]1CCc2onc(C(=O)NC3(CN4CCCCC4)CCCCC3)c2C1 ZINC000141545079 569354592 /nfs/dbraw/zinc/35/45/92/569354592.db2.gz VILZYWKVUKDHEM-SFHVURJKSA-N 0 3 401.595 4.744 40 0 HJABHN CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044932165 519779528 /nfs/dbraw/zinc/77/95/28/519779528.db2.gz NJPUMDCCHBCZBP-HXUWFJFHSA-N 0 3 400.950 4.656 40 0 HJABHN CCOc1ccccc1CCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044909862 521471912 /nfs/dbraw/zinc/47/19/12/521471912.db2.gz TZQNKLKRYVAMRI-NRFANRHFSA-N 0 3 414.977 4.700 40 0 HJABHN Cc1cc(C)c(-n2cccn2)c(CN(CCCn2ccnc2)Cc2ccccc2F)c1 ZINC000043277856 524210917 /nfs/dbraw/zinc/21/09/17/524210917.db2.gz BATDHCVGCCUCSN-UHFFFAOYSA-N 0 3 417.532 4.917 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)c1 ZINC000044855223 524387342 /nfs/dbraw/zinc/38/73/42/524387342.db2.gz VFNCRMDPGCTCTQ-HSZRJFAPSA-N 0 3 406.570 4.934 40 0 HJABHN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044937208 525175559 /nfs/dbraw/zinc/17/55/59/525175559.db2.gz XSQROISHEKNCPW-ZJSXRUAMSA-N 0 3 412.549 4.950 40 0 HJABHN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000044855661 525552916 /nfs/dbraw/zinc/55/29/16/525552916.db2.gz MSCSMKNBPYHTDM-HSZRJFAPSA-N 0 3 422.569 4.634 40 0 HJABHN O=C(NCCCc1ccccc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044906211 526279574 /nfs/dbraw/zinc/27/95/74/526279574.db2.gz OYXNKJDAHDWVSZ-IBGZPJMESA-N 0 3 405.369 4.954 40 0 HJABHN O=C(NCCSCc1ccccc1F)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044909024 526373925 /nfs/dbraw/zinc/37/39/25/526373925.db2.gz CHOKABHCBDHLEY-GOSISDBHSA-N 0 3 420.981 4.741 40 0 HJABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000012329395 558384049 /nfs/dbraw/zinc/38/40/49/558384049.db2.gz XSZJQOXYYOOJBR-RPBOFIJWSA-N 0 3 415.533 4.738 40 0 HJABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 ZINC000012329864 558384791 /nfs/dbraw/zinc/38/47/91/558384791.db2.gz JPDYXERKSBHLFN-XZOQPEGZSA-N 0 3 423.940 4.877 40 0 HJABHN COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022075772 558462670 /nfs/dbraw/zinc/46/26/70/558462670.db2.gz YYNVTURTKYILPY-OAQYLSRUSA-N 0 3 415.892 4.890 40 0 HJABHN COc1ccccc1CN(CCCn1ccnc1)Cc1cn(C)c2ccc(F)cc12 ZINC000036740345 558801565 /nfs/dbraw/zinc/80/15/65/558801565.db2.gz PMIZRVWBDCIXCV-UHFFFAOYSA-N 0 3 406.505 4.615 40 0 HJABHN CC(=O)n1cc(CN(CCCn2ccnc2)Cc2ccc(C)s2)c2ccccc21 ZINC000036740417 558801694 /nfs/dbraw/zinc/80/16/94/558801694.db2.gz BLZIFHBEPZKZHK-UHFFFAOYSA-N 0 3 406.555 4.960 40 0 HJABHN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833989 558817373 /nfs/dbraw/zinc/81/73/73/558817373.db2.gz HAEUJBQDCAAIPQ-OAHLLOKOSA-N 0 3 407.739 4.953 40 0 HJABHN Cc1ccccc1NC(=O)CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000039964031 558823020 /nfs/dbraw/zinc/82/30/20/558823020.db2.gz AMUFWIREXPBPSU-QHCPKHFHSA-N 0 3 424.504 4.504 40 0 HJABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000019020580 558837740 /nfs/dbraw/zinc/83/77/40/558837740.db2.gz OFTAUEYQPWSECK-AREMUKBSSA-N 0 3 417.528 4.977 40 0 HJABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000019021136 558837850 /nfs/dbraw/zinc/83/78/50/558837850.db2.gz ASXFVFZPRJYOAX-UHFFFAOYSA-N 0 3 410.533 4.775 40 0 HJABHN COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CCN(Cc4ccsc4)C[C@@H]32)c1 ZINC000019081665 558839831 /nfs/dbraw/zinc/83/98/31/558839831.db2.gz IHGIQPCOSJWUCV-YPAWHYETSA-N 0 3 412.599 4.619 40 0 HJABHN OC1(c2ccc(C(F)(F)F)cc2)CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000019343902 558872577 /nfs/dbraw/zinc/87/25/77/558872577.db2.gz FIFHRIKSVJQHOZ-UHFFFAOYSA-N 0 3 407.461 4.641 40 0 HJABHN O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3ccccc3OCc3cccc(F)c3)C[C@H]21 ZINC000019349442 558875219 /nfs/dbraw/zinc/87/52/19/558875219.db2.gz ZQNNSGCMLTTXQQ-CLLDFNAGSA-N 0 3 418.512 4.529 40 0 HJABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccs1 ZINC000019400598 558883145 /nfs/dbraw/zinc/88/31/45/558883145.db2.gz MIDQHRPLLIVPRJ-XMSQKQJNSA-N 0 3 409.530 4.666 40 0 HJABHN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccncc2)C1 ZINC000019449631 558888317 /nfs/dbraw/zinc/88/83/17/558888317.db2.gz WEUOTDIIIKOIMM-RUZDIDTESA-N 0 3 419.594 4.770 40 0 HJABHN C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3CN2C1 ZINC000070707863 558893323 /nfs/dbraw/zinc/89/33/23/558893323.db2.gz NEMWYOKGHGSVSC-PKZDXRACSA-N 0 3 415.662 4.563 40 0 HJABHN COc1cccc(CN2CCC([C@@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)c1 ZINC000019564839 558924873 /nfs/dbraw/zinc/92/48/73/558924873.db2.gz BKWCKBGCVMUCTN-AREMUKBSSA-N 0 3 421.585 4.740 40 0 HJABHN COc1ccccc1CN1CCC([C@@H](NC(=O)c2cccs2)c2ccccn2)CC1 ZINC000019570114 558928993 /nfs/dbraw/zinc/92/89/93/558928993.db2.gz OZDLDOSNHMVPSK-HSZRJFAPSA-N 0 3 421.566 4.535 40 0 HJABHN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072345979 558942761 /nfs/dbraw/zinc/94/27/61/558942761.db2.gz DBMJXASZWKXEMT-MRXNPFEDSA-N 0 3 413.447 4.519 40 0 HJABHN C[C@@H]1Cc2cc(CN3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000072398622 558976266 /nfs/dbraw/zinc/97/62/66/558976266.db2.gz SWRULZWHTDBBPH-WWEVIYMKSA-N 0 3 421.585 4.521 40 0 HJABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936093 559173780 /nfs/dbraw/zinc/17/37/80/559173780.db2.gz YEPDFOQGCJUBHX-UGKGYDQZSA-N 0 3 400.950 4.828 40 0 HJABHN COc1cccc(-c2nccnc2[C@H]2CCCN(CCOc3ccc(F)cc3)C2)c1 ZINC000072359004 559186053 /nfs/dbraw/zinc/18/60/53/559186053.db2.gz PGWDHPHGQLVFAY-IBGZPJMESA-N 0 3 407.489 4.550 40 0 HJABHN C[C@]12CC[C@H]3c4ccc(OC(=O)CCN5CCCCC5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000004028100 560597303 /nfs/dbraw/zinc/59/73/03/560597303.db2.gz KBZHXUQCKRKJLU-LNEBKTTKSA-N 0 3 409.570 4.893 40 0 HJABHN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1C1CCCCC1 ZINC000223086352 568537024 /nfs/dbraw/zinc/53/70/24/568537024.db2.gz FPODIQQJFLFBDS-FCHUYYIVSA-N 0 3 403.555 4.573 40 0 HJABHN CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000223656754 568555182 /nfs/dbraw/zinc/55/51/82/568555182.db2.gz CIWMTNGYFAKEBB-HXUWFJFHSA-N 0 3 412.549 4.530 40 0 HJABHN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000224391906 568580020 /nfs/dbraw/zinc/58/00/20/568580020.db2.gz GHXUMOPQFCWOSF-FGZHOGPDSA-N 0 3 415.497 4.584 40 0 HJABHN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225695977 568665229 /nfs/dbraw/zinc/66/52/29/568665229.db2.gz OIGCXOJFQLBAJJ-UHFFFAOYSA-N 0 3 404.595 4.967 40 0 HJABHN Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4ccccc4C)CC3)s2)cc1 ZINC000225798872 568675751 /nfs/dbraw/zinc/67/57/51/568675751.db2.gz NVWIPKAXVHIDGE-UHFFFAOYSA-N 0 3 406.555 4.673 40 0 HJABHN Cc1nn(C(C)C)c(C)c1CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257274031 568796694 /nfs/dbraw/zinc/79/66/94/568796694.db2.gz NJGCYVWQFWPUGZ-UHFFFAOYSA-N 0 3 404.562 4.994 40 0 HJABHN COc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCC(C)CC4)c3)n[nH]2)cc1 ZINC000035317085 569052316 /nfs/dbraw/zinc/05/23/16/569052316.db2.gz GCRZFKIHBKWTAJ-UHFFFAOYSA-N 0 3 404.514 4.570 40 0 HJABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019555110 569345706 /nfs/dbraw/zinc/34/57/06/569345706.db2.gz PAWMKIITWCDBRX-WMZHIEFXSA-N 0 3 421.566 4.535 40 0 HJABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000019577335 569345737 /nfs/dbraw/zinc/34/57/37/569345737.db2.gz JJKKJDIFSMJYBC-RCZVLFRGSA-N 0 3 421.585 4.577 40 0 HJABHN CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)CC1 ZINC000019700265 569347175 /nfs/dbraw/zinc/34/71/75/569347175.db2.gz WHMZEJMIQHMGPS-UHFFFAOYSA-N 0 3 419.594 4.771 40 0 HJABHN CC(C)n1c(CN2CC[C@H](c3cc(COc4ccccc4)n[nH]3)C2)nc2ccccc21 ZINC000019704710 569347783 /nfs/dbraw/zinc/34/77/83/569347783.db2.gz KNNAHSVSPXTPMT-IBGZPJMESA-N 0 3 415.541 4.909 40 0 HJABHN C[C@H]1CCCCN1Cc1cccc(NC(=O)CN2CCC(c3ccccc3)CC2)c1 ZINC000141570441 569354968 /nfs/dbraw/zinc/35/49/68/569354968.db2.gz LXIZWAHJCZGRDN-NRFANRHFSA-N 0 3 405.586 4.879 40 0 HJABHN CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3cccs3)C2)cc1 ZINC000020503241 575369652 /nfs/dbraw/zinc/36/96/52/575369652.db2.gz UNTCDZABBGHJAP-FUHWJXTLSA-N 0 3 408.592 4.918 40 0 biogenic,in-vitro HJABHN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044911798 521471856 /nfs/dbraw/zinc/47/18/56/521471856.db2.gz UMVDBACGEVAGNW-LJQANCHMSA-N 0 3 414.933 4.676 40 0 HJABHN COc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000044907130 523937487 /nfs/dbraw/zinc/93/74/87/523937487.db2.gz VJYRHBBQUUWNGN-UHFFFAOYSA-N 0 3 414.549 4.616 40 0 HJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cc(C)n(-c3cccnc3)c2C)o1 ZINC000043277755 524405033 /nfs/dbraw/zinc/40/50/33/524405033.db2.gz WBJQVXULJROJCD-UHFFFAOYSA-N 0 3 403.530 4.680 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)c1 ZINC000008741674 557803929 /nfs/dbraw/zinc/80/39/29/557803929.db2.gz FNZHQOGUUKMVSU-AQNXPRMDSA-N 0 3 424.909 4.761 40 0 HJABHN COc1ccccc1-c1nc2c3ccccc3nc(SCCN3CCCCC3)n2n1 ZINC000010157704 557856895 /nfs/dbraw/zinc/85/68/95/557856895.db2.gz YXQWGZMCPYJEJU-UHFFFAOYSA-N 0 3 419.554 4.531 40 0 HJABHN COc1ccc2c(c1)NC1(CCN(CC3=Cc4ccccc4OC3)CC1)c1cccn1-2 ZINC000012117295 558329053 /nfs/dbraw/zinc/32/90/53/558329053.db2.gz XNPBFPLEYSPOCP-UHFFFAOYSA-N 0 3 413.521 4.679 40 0 HJABHN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020459996 558372425 /nfs/dbraw/zinc/37/24/25/558372425.db2.gz RXGOKAMKZHTYNU-UHFFFAOYSA-N 0 3 400.906 4.611 40 0 HJABHN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329839 558384784 /nfs/dbraw/zinc/38/47/84/558384784.db2.gz LDSKHFAHKGVVLZ-UXHICEINSA-N 0 3 422.352 4.686 40 0 HJABHN CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCCCC3)cc2)ccc1Cl ZINC000022516945 558494099 /nfs/dbraw/zinc/49/40/99/558494099.db2.gz WVPKAUQXZFJOAD-UHFFFAOYSA-N 0 3 400.906 4.755 40 0 HJABHN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](N5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118918644 558545498 /nfs/dbraw/zinc/54/54/98/558545498.db2.gz QZQARKHEFRUGSK-ALJVBUTGSA-N 0 3 415.618 4.994 40 0 HJABHN CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1OCC ZINC000039763682 558685912 /nfs/dbraw/zinc/68/59/12/558685912.db2.gz DTLWROKSKAOXTQ-HXUWFJFHSA-N 0 3 424.585 4.882 40 0 HJABHN O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000039763908 558685952 /nfs/dbraw/zinc/68/59/52/558685952.db2.gz OKKNYYLBTZTRAV-UHFFFAOYSA-N 0 3 419.569 4.554 40 0 HJABHN Cc1ccnc(-n2cccc2CN(CCCn2ccnc2)Cc2ccc(F)cc2)c1 ZINC000036740145 558801676 /nfs/dbraw/zinc/80/16/76/558801676.db2.gz NTZNPTXVYBXAHG-UHFFFAOYSA-N 0 3 403.505 4.609 40 0 HJABHN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833927 558817256 /nfs/dbraw/zinc/81/72/56/558817256.db2.gz VVWHURCOZMWHEK-HNNXBMFYSA-N 0 3 407.739 4.953 40 0 HJABHN Cc1cccc(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 ZINC000039964024 558823011 /nfs/dbraw/zinc/82/30/11/558823011.db2.gz HIBXGCTUDVNRKZ-HSZRJFAPSA-N 0 3 424.504 4.504 40 0 HJABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C([O-])=C2ON1c1ccccc1 ZINC000101087548 558826917 /nfs/dbraw/zinc/82/69/17/558826917.db2.gz VWOCTRMVELYDAU-ZRBLBEILSA-N 0 3 400.478 4.564 40 0 HJABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000101087548 558826919 /nfs/dbraw/zinc/82/69/19/558826919.db2.gz VWOCTRMVELYDAU-ZRBLBEILSA-N 0 3 400.478 4.564 40 0 HJABHN Cc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccncc1 ZINC000019237258 558856527 /nfs/dbraw/zinc/85/65/27/558856527.db2.gz PYRJSHIZWRBHBB-HJOGWXRNSA-N 0 3 417.578 4.582 40 0 HJABHN O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019400581 558883068 /nfs/dbraw/zinc/88/30/68/558883068.db2.gz AHYXWHRDNZKYSF-PXDATVDWSA-N 0 3 409.549 4.871 40 0 HJABHN O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019400639 558883133 /nfs/dbraw/zinc/88/31/33/558883133.db2.gz GVMOOXRARZPCAJ-SQJMNOBHSA-N 0 3 409.549 4.871 40 0 HJABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000019400644 558883290 /nfs/dbraw/zinc/88/32/90/558883290.db2.gz OTUMIUCTZRIJTC-GBXCKJPGSA-N 0 3 421.491 4.743 40 0 HJABHN C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3CN2C1 ZINC000070707874 558893308 /nfs/dbraw/zinc/89/33/08/558893308.db2.gz NEMWYOKGHGSVSC-QNOJQWCNSA-N 0 3 415.662 4.563 40 0 HJABHN COc1ccc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)c(OC)c1 ZINC000019564332 558924506 /nfs/dbraw/zinc/92/45/06/558924506.db2.gz QDCHAYJSGDNBIY-CQSZACIVSA-N 0 3 417.456 4.866 40 0 HJABHN CC(C)(C)c1cc2nc(C3CCN(Cc4cccnc4)CC3)cc(C(F)(F)F)n2n1 ZINC000072341087 558939557 /nfs/dbraw/zinc/93/95/57/558939557.db2.gz CTEURYQIBCCULX-UHFFFAOYSA-N 0 3 417.479 4.820 40 0 HJABHN COc1ccccc1-c1nccnc1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000072359001 558954724 /nfs/dbraw/zinc/95/47/24/558954724.db2.gz MZJMRKVTPVPKSI-GOSISDBHSA-N 0 3 407.489 4.550 40 0 HJABHN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc3ccccc3n2)C1 ZINC000072361002 558955709 /nfs/dbraw/zinc/95/57/09/558955709.db2.gz PQMCVRIKGQOQAS-QGZVFWFLSA-N 0 3 416.550 4.536 40 0 HJABHN Cn1cc(CN2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)c2cc(F)ccc21 ZINC000072376096 558965102 /nfs/dbraw/zinc/96/51/02/558965102.db2.gz ZCXOZFQRXMMURS-QGZVFWFLSA-N 0 3 416.504 4.626 40 0 HJABHN Cc1cccc(CN2CCC(Cc3ccc(-c4ccccc4F)cc3)(C(N)=O)CC2)n1 ZINC000019700505 558966943 /nfs/dbraw/zinc/96/69/43/558966943.db2.gz FRJLLRUBXUJKFK-UHFFFAOYSA-N 0 3 417.528 4.506 40 0 HJABHN COc1ccccc1CN(CCN(C)C)Cc1c2cccnc2[nH]c1C1CCCC1 ZINC000072393717 558973042 /nfs/dbraw/zinc/97/30/42/558973042.db2.gz CWHXPJUPOJOEGZ-UHFFFAOYSA-N 0 3 406.574 4.793 40 0 HJABHN CC(C)Oc1cccc(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398620 558976393 /nfs/dbraw/zinc/97/63/93/558976393.db2.gz YQXYCXVLJBZQTO-URXFXBBRSA-N 0 3 423.601 4.984 40 0 HJABHN O=C(Nc1ccc(Cl)cc1)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096046628 559091920 /nfs/dbraw/zinc/09/19/20/559091920.db2.gz VRMRCVHCQPKLHY-UHFFFAOYSA-N 0 3 401.913 4.999 40 0 HJABHN O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096052532 559092255 /nfs/dbraw/zinc/09/22/55/559092255.db2.gz NIFRYYCTQSQMKS-UHFFFAOYSA-N 0 3 400.497 4.906 40 0 HJABHN O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053089 559092888 /nfs/dbraw/zinc/09/28/88/559092888.db2.gz DIUZCCHLTVDQGY-HXUWFJFHSA-N 0 3 410.583 4.565 40 0 HJABHN O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000096203007 559101256 /nfs/dbraw/zinc/10/12/56/559101256.db2.gz AZSUMCGVFNAINW-UHFFFAOYSA-N 0 3 403.353 4.661 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cc1 ZINC000585262709 559110940 /nfs/dbraw/zinc/11/09/40/559110940.db2.gz VIKFFIYBYXUGFH-UHFFFAOYSA-N 0 3 421.570 4.928 40 0 HJABHN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(CCC(C)(C)C)C[C@H]21 ZINC000514290139 560030720 /nfs/dbraw/zinc/03/07/20/560030720.db2.gz SJLLHHAKWHCJJL-IRLDBZIGSA-N 0 3 414.496 4.585 40 0 biogenic,in-vitro HJABHN CCCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn32)CC1 ZINC000004980452 560622897 /nfs/dbraw/zinc/62/28/97/560622897.db2.gz DHBOUSRHOAPHSF-UHFFFAOYSA-N 0 3 415.516 4.734 40 0 HJABHN [NH2+]=C(Nc1ccc(Cl)cc1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009287000 560757663 /nfs/dbraw/zinc/75/76/63/560757663.db2.gz LIESBJCBXMPPCC-UHFFFAOYSA-N 0 3 420.325 4.828 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@@H]3C2=O)cc1 ZINC000005047495 568431843 /nfs/dbraw/zinc/43/18/43/568431843.db2.gz WNDKNSZFOUQZQR-BDTNDASRSA-N 0 3 418.880 4.700 40 0 HJABHN CCN(CC)CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000022075547 568473925 /nfs/dbraw/zinc/47/39/25/568473925.db2.gz ORWXTUVBPIGUBU-UHFFFAOYSA-N 0 3 409.343 4.599 40 0 HJABHN COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107592 568475337 /nfs/dbraw/zinc/47/53/37/568475337.db2.gz VVKLBOPOWVGVDO-IBGZPJMESA-N 0 3 403.931 4.812 40 0 HJABHN Cc1cc(O[C@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1Cl ZINC000222859120 568528762 /nfs/dbraw/zinc/52/87/62/568528762.db2.gz YBYFFKSNAIADES-MRXNPFEDSA-N 0 3 402.922 4.527 40 0 HJABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1C ZINC000223416094 568548097 /nfs/dbraw/zinc/54/80/97/568548097.db2.gz AKUALPQSGYPHRS-UHFFFAOYSA-N 0 3 414.549 4.671 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCOc3cccc4ccccc43)CC2)c1 ZINC000223554755 568551548 /nfs/dbraw/zinc/55/15/48/568551548.db2.gz SAJFFXGPZJUIGB-UHFFFAOYSA-N 0 3 402.538 4.555 40 0 HJABHN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000224194776 568573274 /nfs/dbraw/zinc/57/32/74/568573274.db2.gz MYPNZDDRULSPKZ-PKTZIBPZSA-N 0 3 411.534 4.753 40 0 HJABHN Cc1cccc(CN2CCCC[C@@H]2c2[nH]ncc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257290269 568801502 /nfs/dbraw/zinc/80/15/02/568801502.db2.gz QCFDYOQIZZKYPI-HSZRJFAPSA-N 0 3 402.542 4.718 40 0 HJABHN Cc1nc(NCc2ccccc2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000328958399 568969713 /nfs/dbraw/zinc/96/97/13/568969713.db2.gz ANJLFFIAWVKGAH-UHFFFAOYSA-N 0 3 414.431 4.858 40 0 HJABHN Cc1nc(NCc2ccccc2)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329064352 568975395 /nfs/dbraw/zinc/97/53/95/568975395.db2.gz XJMHVVJINRXALQ-UHFFFAOYSA-N 0 3 409.331 4.722 40 0 HJABHN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](N5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012660438 569040207 /nfs/dbraw/zinc/04/02/07/569040207.db2.gz QZQARKHEFRUGSK-QXCGSLFNSA-N 0 3 415.618 4.994 40 0 HJABHN COc1ccc(-c2cc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)n[nH]2)cc1 ZINC000035317079 569052263 /nfs/dbraw/zinc/05/22/63/569052263.db2.gz LWLUTRYEUPOGNL-QGZVFWFLSA-N 0 3 404.514 4.712 40 0 HJABHN C[C@H](CN1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000248137586 569316296 /nfs/dbraw/zinc/31/62/96/569316296.db2.gz AMPDDSIZYOYEQN-UZKOGDIHSA-N 0 3 420.582 4.525 40 0 HJABHN C[C@@H]1CCCC[C@@H]1N1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000248120445 569316346 /nfs/dbraw/zinc/31/63/46/569316346.db2.gz RKURYZYBBQHUCF-JJXUHFIVSA-N 0 3 420.488 4.671 40 0 HJABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000019577332 569345808 /nfs/dbraw/zinc/34/58/08/569345808.db2.gz SLWQLUZMKVLMLA-ZJSXRUAMSA-N 0 3 423.601 4.823 40 0 HJABHN Cc1cccc(N2CCN(CCCOC(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000004823086 132289809 /nfs/dbraw/zinc/28/98/09/132289809.db2.gz VPWGCPCEGGVUIK-UHFFFAOYSA-N 0 3 403.526 4.909 40 0 HJABHN CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044916113 519782781 /nfs/dbraw/zinc/78/27/81/519782781.db2.gz FSWZHEZTISLMBX-QFIPXVFZSA-N 0 3 412.549 4.574 40 0 HJABHN COc1cccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000044906926 525890669 /nfs/dbraw/zinc/89/06/69/525890669.db2.gz JIIGMXMYRPKYML-UHFFFAOYSA-N 0 3 414.549 4.616 40 0 HJABHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855212 526188070 /nfs/dbraw/zinc/18/80/70/526188070.db2.gz FEHJMIGOEQMILR-KNQAVFIVSA-N 0 3 410.533 4.765 40 0 HJABHN Nc1ncnc2nc([C@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743219 558263761 /nfs/dbraw/zinc/26/37/61/558263761.db2.gz OWKGSBIENCYALF-ZDUSSCGKSA-N 0 3 421.854 4.659 40 0 HJABHN Cc1nc([C@H]2CCN(CCc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753194 558272435 /nfs/dbraw/zinc/27/24/35/558272435.db2.gz RNCINCDAMATFAZ-IBGZPJMESA-N 0 3 420.944 4.723 40 0 HJABHN CCOc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000022913875 558520799 /nfs/dbraw/zinc/52/07/99/558520799.db2.gz QAYGPQYPCRDNAN-UHFFFAOYSA-N 0 3 400.522 4.574 40 0 HJABHN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030944210 558746176 /nfs/dbraw/zinc/74/61/76/558746176.db2.gz IYYAKEZLNGMNJO-QHCPKHFHSA-N 0 3 402.513 4.944 40 0 HJABHN O=C(CC1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964080 558823199 /nfs/dbraw/zinc/82/31/99/558823199.db2.gz VAJJZKQHDWGRQQ-OAQYLSRUSA-N 0 3 420.488 4.815 40 0 HJABHN COc1ccccc1CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C(C)(C)C ZINC000019081657 558839787 /nfs/dbraw/zinc/83/97/87/558839787.db2.gz PNQNEJAJRVDSLD-NJDAHSKKSA-N 0 3 412.599 4.619 40 0 HJABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1C ZINC000019213486 558849379 /nfs/dbraw/zinc/84/93/79/558849379.db2.gz GVXCQUCJRYYZLB-VXKWHMMOSA-N 0 3 415.961 4.649 40 0 HJABHN Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019236821 558855909 /nfs/dbraw/zinc/85/59/09/558855909.db2.gz CYNZVDQDPCZVBW-SQJMNOBHSA-N 0 3 417.528 4.912 40 0 HJABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccs1 ZINC000019400655 558883410 /nfs/dbraw/zinc/88/34/10/558883410.db2.gz LUQCUPUKHROZKV-PGRDOPGGSA-N 0 3 409.530 4.666 40 0 HJABHN CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccccn2)C1 ZINC000019449560 558888045 /nfs/dbraw/zinc/88/80/45/558888045.db2.gz WFUPEHJVMOGTTL-VWLOTQADSA-N 0 3 419.594 4.770 40 0 HJABHN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4cccnc4)C3)cc2n1 ZINC000019452286 558890106 /nfs/dbraw/zinc/89/01/06/558890106.db2.gz IPERPZIYARYTCB-INIZCTEOSA-N 0 3 403.452 4.646 40 0 HJABHN COc1ccc(CN(CCCn2ccnc2)Cc2ccc3cc(F)ccc3n2)cc1 ZINC000019554735 558917666 /nfs/dbraw/zinc/91/76/66/558917666.db2.gz MIQJMMWMLKDXPQ-UHFFFAOYSA-N 0 3 404.489 4.672 40 0 HJABHN COc1cccc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)c1 ZINC000019569125 558928260 /nfs/dbraw/zinc/92/82/60/558928260.db2.gz GZDVMEYKIIETBS-UHFFFAOYSA-N 0 3 405.420 4.938 40 0 HJABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000072330503 558934882 /nfs/dbraw/zinc/93/48/82/558934882.db2.gz OTUMIUCTZRIJTC-RDPSFJRHSA-N 0 3 421.491 4.743 40 0 HJABHN CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3)CC2)o1 ZINC000072344936 558941325 /nfs/dbraw/zinc/94/13/25/558941325.db2.gz KDKJKODGQWYKMP-NRFANRHFSA-N 0 3 410.562 4.549 40 0 HJABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352457 558949020 /nfs/dbraw/zinc/94/90/20/558949020.db2.gz IYQXBHJSWMYSBF-SFHVURJKSA-N 0 3 401.535 4.799 40 0 HJABHN Cn1cc(CN2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c2cc(F)ccc21 ZINC000072353453 558950494 /nfs/dbraw/zinc/95/04/94/558950494.db2.gz VNVVSRIRXYWMSG-QGZVFWFLSA-N 0 3 416.504 4.626 40 0 HJABHN COc1ccccc1-c1nccnc1[C@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000072359002 558954775 /nfs/dbraw/zinc/95/47/75/558954775.db2.gz MZJMRKVTPVPKSI-SFHVURJKSA-N 0 3 407.489 4.550 40 0 HJABHN COc1ccc2c(CN3CCC[C@@H]3c3cc(-c4cnn(C)c4)cc(C)n3)cn(C)c2c1 ZINC000019690995 558960494 /nfs/dbraw/zinc/96/04/94/558960494.db2.gz CLDFGJLDJJRMHY-XMMPIXPASA-N 0 3 415.541 4.628 40 0 HJABHN NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2Cl)CC1 ZINC000585166502 559067007 /nfs/dbraw/zinc/06/70/07/559067007.db2.gz SXQGJVVKNBMTBG-UHFFFAOYSA-N 0 3 419.956 4.712 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053206 559093090 /nfs/dbraw/zinc/09/30/90/559093090.db2.gz WCHFIPJZPSQRNP-IBGZPJMESA-N 0 3 410.583 4.662 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053382 559093289 /nfs/dbraw/zinc/09/32/89/559093289.db2.gz NRQJEGQJMRUPBH-IBGZPJMESA-N 0 3 410.583 4.708 40 0 HJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000005093329 568433250 /nfs/dbraw/zinc/43/32/50/568433250.db2.gz TXMYRMUHOJDGJQ-VSKRKVRLSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@H]3C2=O)c(C)c1 ZINC000101220824 568501837 /nfs/dbraw/zinc/50/18/37/568501837.db2.gz HFOLDOQWPQYRAR-SGNDLWITSA-N 0 3 412.489 4.663 40 0 HJABHN COc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)s2)cc1 ZINC000223149552 568539499 /nfs/dbraw/zinc/53/94/99/568539499.db2.gz JMXVFLRYMHZXJO-UHFFFAOYSA-N 0 3 422.554 4.698 40 0 HJABHN Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000224423712 568580873 /nfs/dbraw/zinc/58/08/73/568580873.db2.gz YSPIURSTILCELQ-FGZHOGPDSA-N 0 3 415.497 4.584 40 0 HJABHN O=C(COc1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224805727 568597569 /nfs/dbraw/zinc/59/75/69/568597569.db2.gz UUZPDEACTCXVMI-UHFFFAOYSA-N 0 3 407.341 4.675 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)CC2)c1 ZINC000225166002 568619856 /nfs/dbraw/zinc/61/98/56/568619856.db2.gz DLTICJUVTBVQFR-UHFFFAOYSA-N 0 3 423.582 4.803 40 0 HJABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCOCC2)cc1 ZINC000225568920 568652096 /nfs/dbraw/zinc/65/20/96/568652096.db2.gz PSFBUDMKAMEUQH-UHFFFAOYSA-N 0 3 422.569 4.547 40 0 HJABHN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 ZINC000225734534 568669138 /nfs/dbraw/zinc/66/91/38/568669138.db2.gz UPZPSJMZKCTHIM-DEOSSOPVSA-N 0 3 404.595 4.967 40 0 HJABHN COc1ccc([C@H]2C[C@@H](NC(C)=O)CC3(CCCCC3)O2)cc1CN1CCCCC1 ZINC000257217936 568781258 /nfs/dbraw/zinc/78/12/58/568781258.db2.gz DBEPACHNRFTYNT-ISKFKSNPSA-N 0 3 414.590 4.740 40 0 HJABHN COc1cccc2cc(CN3CC[C@@H]4[C@H]3CCCC(=O)N4Cc3ccccc3)oc21 ZINC000257251984 568790944 /nfs/dbraw/zinc/79/09/44/568790944.db2.gz JTCZKFLBKVCFRA-FGZHOGPDSA-N 0 3 404.510 4.597 40 0 HJABHN CCn1cc(CN2CC[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257258780 568792433 /nfs/dbraw/zinc/79/24/33/568792433.db2.gz KVMNTDDNIHGAED-GOSISDBHSA-N 0 3 410.591 4.721 40 0 HJABHN O=C(NC[C@H](c1cccc2ccccc21)N1CCCC1)c1ccc(Br)o1 ZINC000010330587 569311690 /nfs/dbraw/zinc/31/16/90/569311690.db2.gz MJRRSNQOIVJKEO-GOSISDBHSA-N 0 3 413.315 4.762 40 0 HJABHN CCN(Cc1ccnn1C)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000019711995 569348292 /nfs/dbraw/zinc/34/82/92/569348292.db2.gz PEKTVYRKJCGWGR-WIOPSUGQSA-N 0 3 405.542 4.838 40 0 HJABHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)CN2CCC(c3ccccc3)CC2)c1 ZINC000141570249 569354984 /nfs/dbraw/zinc/35/49/84/569354984.db2.gz LXIZWAHJCZGRDN-OAQYLSRUSA-N 0 3 405.586 4.879 40 0 HJABHN CCc1cc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1F ZINC000077292337 569391290 /nfs/dbraw/zinc/39/12/90/569391290.db2.gz QITPBBUJMSLKPO-UHFFFAOYSA-N 0 3 403.925 4.988 40 0 in-vitro HJABHN CCCOc1ccccc1CCCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044851577 520474180 /nfs/dbraw/zinc/47/41/80/520474180.db2.gz STOZYGMIZDUBAA-QFIPXVFZSA-N 0 3 412.549 4.576 40 0 HJABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936086 522495744 /nfs/dbraw/zinc/49/57/44/522495744.db2.gz YEPDFOQGCJUBHX-KNQAVFIVSA-N 0 3 400.950 4.828 40 0 HJABHN Cc1cccc(-n2cccc2CN(CCCn2ccnc2)Cc2cccc(F)c2)n1 ZINC000043277730 524144123 /nfs/dbraw/zinc/14/41/23/524144123.db2.gz CVMMTRJPDXJNAM-UHFFFAOYSA-N 0 3 403.505 4.609 40 0 HJABHN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044852672 525310330 /nfs/dbraw/zinc/31/03/30/525310330.db2.gz DIICXXXABWXOGN-NRFANRHFSA-N 0 3 414.549 4.751 40 0 HJABHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2)cc1OC ZINC000008495501 557793462 /nfs/dbraw/zinc/79/34/62/557793462.db2.gz BOECEZZECKMSSA-UHFFFAOYSA-N 0 3 407.510 4.624 40 0 HJABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(C(C)C)cc1 ZINC000020798498 558414837 /nfs/dbraw/zinc/41/48/37/558414837.db2.gz QZGCZIANXBCSJM-NRFANRHFSA-N 0 3 420.509 4.639 40 0 HJABHN O=C(CC1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964081 558823162 /nfs/dbraw/zinc/82/31/62/558823162.db2.gz VAJJZKQHDWGRQQ-NRFANRHFSA-N 0 3 420.488 4.815 40 0 HJABHN Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Cl)c2)c1 ZINC000101089516 558826932 /nfs/dbraw/zinc/82/69/32/558826932.db2.gz GVADMOBWKCUKNK-VSKRKVRLSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@H]3C2=O)c1 ZINC000101089516 558826934 /nfs/dbraw/zinc/82/69/34/558826934.db2.gz GVADMOBWKCUKNK-VSKRKVRLSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)on1 ZINC000019120763 558843035 /nfs/dbraw/zinc/84/30/35/558843035.db2.gz JQFMAJPPJDUKPS-CQSZACIVSA-N 0 3 408.449 4.900 40 0 HJABHN COc1ccc(CN(Cc2ccc(C)c(C)c2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019213911 558849492 /nfs/dbraw/zinc/84/94/92/558849492.db2.gz ZEZWBGLBMDPEFD-ZEQKJWHPSA-N 0 3 420.553 4.868 40 0 HJABHN Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019236827 558856194 /nfs/dbraw/zinc/85/61/94/558856194.db2.gz MHGQPPKWKXRZQY-SQJMNOBHSA-N 0 3 417.528 4.912 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@@H]3C2=O)c1 ZINC000013757876 558865697 /nfs/dbraw/zinc/86/56/97/558865697.db2.gz GVADMOBWKCUKNK-FKBYEOEOSA-N 0 3 418.880 4.700 40 0 HJABHN O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019334336 558869569 /nfs/dbraw/zinc/86/95/69/558869569.db2.gz XJAJYJRANRJRSO-ACRUOGEOSA-N 0 3 400.975 4.628 40 0 HJABHN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019347029 558873841 /nfs/dbraw/zinc/87/38/41/558873841.db2.gz RZKHVGLOGKBUMP-FQEVSTJZSA-N 0 3 418.541 4.665 40 0 HJABHN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019376082 558882226 /nfs/dbraw/zinc/88/22/26/558882226.db2.gz BHBOGBVOYMTWLL-LJQANCHMSA-N 0 3 418.541 4.665 40 0 HJABHN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000019400590 558883058 /nfs/dbraw/zinc/88/30/58/558883058.db2.gz POCFLAXVMYQDQM-GBXCKJPGSA-N 0 3 421.491 4.743 40 0 HJABHN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(Cc2ccccn2)C1 ZINC000019449584 558887997 /nfs/dbraw/zinc/88/79/97/558887997.db2.gz KYSQRYIBQSQXQT-VWLOTQADSA-N 0 3 419.594 4.770 40 0 HJABHN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2cccnc2)C1 ZINC000019449600 558888068 /nfs/dbraw/zinc/88/80/68/558888068.db2.gz JNQPRHOUNYYZGN-VWLOTQADSA-N 0 3 419.594 4.770 40 0 HJABHN CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000019450336 558888902 /nfs/dbraw/zinc/88/89/02/558888902.db2.gz MUGWSLAVMJIESA-UHFFFAOYSA-N 0 3 405.521 4.878 40 0 HJABHN CC(C)Oc1cccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019450832 558889109 /nfs/dbraw/zinc/88/91/09/558889109.db2.gz AXHOXKJVIUYWDT-DEOSSOPVSA-N 0 3 423.601 4.984 40 0 HJABHN COc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1OC ZINC000019565016 558925302 /nfs/dbraw/zinc/92/53/02/558925302.db2.gz OPDAOXJOMWNRCU-UHFFFAOYSA-N 0 3 417.456 4.866 40 0 HJABHN COc1ccccc1CN1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 ZINC000019565071 558925330 /nfs/dbraw/zinc/92/53/30/558925330.db2.gz PBSLZSKWUZCCRF-UHFFFAOYSA-N 0 3 405.420 4.938 40 0 HJABHN COc1ccccc1CN1CCC[C@@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000019568914 558928121 /nfs/dbraw/zinc/92/81/21/558928121.db2.gz IZRJIWHUCBMYPR-OAHLLOKOSA-N 0 3 405.420 4.938 40 0 HJABHN Cn1cc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c2ccccc21 ZINC000072394591 558973571 /nfs/dbraw/zinc/97/35/71/558973571.db2.gz ULMVAMLVVYGRTH-NRFANRHFSA-N 0 3 424.614 4.750 40 0 HJABHN CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2ccncc2)CC1 ZINC000585166481 559066921 /nfs/dbraw/zinc/06/69/21/559066921.db2.gz FJUALROBHYUXGJ-UHFFFAOYSA-N 0 3 413.565 4.662 40 0 HJABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053322 559093199 /nfs/dbraw/zinc/09/31/99/559093199.db2.gz ZPTLLRIXELKUQQ-FQEVSTJZSA-N 0 3 410.533 4.641 40 0 HJABHN CCN(CCN(C)C)C(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc32)s1 ZINC000096154517 559099004 /nfs/dbraw/zinc/09/90/04/559099004.db2.gz TVTRKYZGWFAQEE-UHFFFAOYSA-N 0 3 420.538 4.642 40 0 HJABHN CC(C)n1cnc2c1cc(C1CCN(Cc3cccnc3)CC1)nc2-c1cccnc1 ZINC000096267182 559107940 /nfs/dbraw/zinc/10/79/40/559107940.db2.gz BWKRVGMUPILUPX-UHFFFAOYSA-N 0 3 412.541 4.849 40 0 HJABHN O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000096627142 559111723 /nfs/dbraw/zinc/11/17/23/559111723.db2.gz KSADTDJAKGKPIJ-KRWDZBQOSA-N 0 3 410.867 4.887 40 0 HJABHN O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(C2CCCCC2)CC1 ZINC000004970968 560622437 /nfs/dbraw/zinc/62/24/37/560622437.db2.gz NZFMCBAYPNREKV-UHFFFAOYSA-N 0 3 407.583 4.842 40 0 HJABHN CN1CCC(Oc2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2)CC1 ZINC000218988992 568485676 /nfs/dbraw/zinc/48/56/76/568485676.db2.gz KZRVUQLWDFXCEQ-UHFFFAOYSA-N 0 3 416.521 4.991 40 0 HJABHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1Cl ZINC000057561411 568492723 /nfs/dbraw/zinc/49/27/23/568492723.db2.gz MULYHHMYXYORMP-UHFFFAOYSA-N 0 3 405.929 4.915 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)Nc3nnc(-c4ccc(C)cc4)s3)CC2)cc1 ZINC000222988007 568533354 /nfs/dbraw/zinc/53/33/54/568533354.db2.gz GFQQODRVEAQHHW-UHFFFAOYSA-N 0 3 406.555 4.673 40 0 HJABHN COc1ccc(CN2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1OCc1ccccc1 ZINC000224086650 568569333 /nfs/dbraw/zinc/56/93/33/568569333.db2.gz ZZVRTZNHXPQCIY-ICDZXHCJSA-N 0 3 418.581 4.604 40 0 HJABHN Cc1cc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc(C)c1Cl ZINC000224831124 568599073 /nfs/dbraw/zinc/59/90/73/568599073.db2.gz UDNBWQLMPAHZRX-UHFFFAOYSA-N 0 3 400.950 4.638 40 0 HJABHN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836885 568599272 /nfs/dbraw/zinc/59/92/72/568599272.db2.gz FPKUJEPGQBJETA-OAQYLSRUSA-N 0 3 400.950 4.800 40 0 HJABHN CC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(Cl)c(F)c2)N1 ZINC000257297885 568803676 /nfs/dbraw/zinc/80/36/76/568803676.db2.gz RJEURSCGRKNECG-CCKFTAQKSA-N 0 3 420.960 4.532 40 0 HJABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319431 568810219 /nfs/dbraw/zinc/81/02/19/568810219.db2.gz VSNFKOHYEHFZON-IBGZPJMESA-N 0 3 417.557 4.593 40 0 HJABHN Cc1ncc(CN2CC[C@@H](c3cc(COc4cccc(C(F)(F)F)c4)[nH]n3)C2)s1 ZINC000257321912 568811076 /nfs/dbraw/zinc/81/10/76/568811076.db2.gz WDVGHAOBAOBDRU-CQSZACIVSA-N 0 3 422.476 4.762 40 0 HJABHN CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCCN(Cc4ccncc4C)C3)cc2N1 ZINC000253602796 569318375 /nfs/dbraw/zinc/31/83/75/569318375.db2.gz RWCYJNURQPBREZ-SCTDSRPQSA-N 0 3 407.484 4.664 40 0 HJABHN O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062807 569342259 /nfs/dbraw/zinc/34/22/59/569342259.db2.gz SBRWVKJJHLQVNE-UHFFFAOYSA-N 0 3 419.569 4.600 40 0 HJABHN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000010433938 569344385 /nfs/dbraw/zinc/34/43/85/569344385.db2.gz KYWLPTYQYICOGL-UHFFFAOYSA-N 0 3 419.569 4.987 40 0 HJABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000019565055 569345671 /nfs/dbraw/zinc/34/56/71/569345671.db2.gz KRJQTASYDODNQU-AUSIDOKSSA-N 0 3 421.566 4.535 40 0 HJABHN CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225662810 520276511 /nfs/dbraw/zinc/27/65/11/520276511.db2.gz UBNRRRAXCYOQDU-RDPSFJRHSA-N 0 3 402.579 4.865 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)c1 ZINC000044855374 524387300 /nfs/dbraw/zinc/38/73/00/524387300.db2.gz FLBDHGNGJGWXPA-QHCPKHFHSA-N 0 3 406.570 4.934 40 0 HJABHN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000044855703 525553672 /nfs/dbraw/zinc/55/36/72/525553672.db2.gz HJCPXZIHEVEYFU-QFIPXVFZSA-N 0 3 408.542 4.713 40 0 HJABHN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000044855710 525554063 /nfs/dbraw/zinc/55/40/63/525554063.db2.gz APEOVFFJERCWAE-QHCPKHFHSA-N 0 3 422.569 4.959 40 0 HJABHN CCOc1cc(CNCCO)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008254025 557778211 /nfs/dbraw/zinc/77/82/11/557778211.db2.gz RQFZTBVDSJAJHI-UHFFFAOYSA-N 0 3 404.721 4.706 40 0 HJABHN COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008535055 557794255 /nfs/dbraw/zinc/79/42/55/557794255.db2.gz DYCBZWDWXUIEPR-LLVKDONJSA-N 0 3 404.721 4.705 40 0 HJABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000012329403 558384058 /nfs/dbraw/zinc/38/40/58/558384058.db2.gz XSZJQOXYYOOJBR-DQEYMECFSA-N 0 3 415.533 4.738 40 0 HJABHN CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000030943373 558745985 /nfs/dbraw/zinc/74/59/85/558745985.db2.gz YRRDLXLCYHIDRG-HXUWFJFHSA-N 0 3 412.505 4.633 40 0 HJABHN COc1ccccc1CN(C)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000038755239 558814414 /nfs/dbraw/zinc/81/44/14/558814414.db2.gz JHSMPOLSAOSVFL-UHFFFAOYSA-N 0 3 400.522 4.526 40 0 HJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 ZINC000101025182 558825269 /nfs/dbraw/zinc/82/52/69/558825269.db2.gz GRSVHQCKZAIOBQ-NHTMILBNSA-N 0 3 412.489 4.663 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@@H]3C2=O)cc1 ZINC000013514346 558835613 /nfs/dbraw/zinc/83/56/13/558835613.db2.gz WNDKNSZFOUQZQR-FKBYEOEOSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019236825 558855875 /nfs/dbraw/zinc/85/58/75/558855875.db2.gz MHGQPPKWKXRZQY-PXDATVDWSA-N 0 3 417.528 4.912 40 0 HJABHN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)C1 ZINC000019449574 558888013 /nfs/dbraw/zinc/88/80/13/558888013.db2.gz SWKAUBCPIPOALM-HHHXNRCGSA-N 0 3 413.565 4.708 40 0 HJABHN COc1ccc2c(c1)c(CN1CCC(O)(c3ccccc3OC)CC1)cn2C(C)C ZINC000019454790 558891489 /nfs/dbraw/zinc/89/14/89/558891489.db2.gz ZEAWTMUBUPQNEU-UHFFFAOYSA-N 0 3 408.542 4.723 40 0 HJABHN CC(C)n1cc(CN2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2ccccc21 ZINC000019454817 558891540 /nfs/dbraw/zinc/89/15/40/558891540.db2.gz VYXMWUNUNVXWOY-BKMJKUGQSA-N 0 3 416.569 4.646 40 0 HJABHN COc1ccc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)c(OC)c1 ZINC000019564336 558924518 /nfs/dbraw/zinc/92/45/18/558924518.db2.gz QDCHAYJSGDNBIY-AWEZNQCLSA-N 0 3 417.456 4.866 40 0 HJABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccs1 ZINC000072330402 558934517 /nfs/dbraw/zinc/93/45/17/558934517.db2.gz MIDQHRPLLIVPRJ-GCJKJVERSA-N 0 3 409.530 4.666 40 0 HJABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330413 558934545 /nfs/dbraw/zinc/93/45/45/558934545.db2.gz PAWMKIITWCDBRX-XXBNENTESA-N 0 3 421.566 4.535 40 0 HJABHN O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000072330443 558934730 /nfs/dbraw/zinc/93/47/30/558934730.db2.gz GVMOOXRARZPCAJ-OFVILXPXSA-N 0 3 409.549 4.871 40 0 HJABHN COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330444 558934860 /nfs/dbraw/zinc/93/48/60/558934860.db2.gz ABLIGMZVMXTMTD-NVQXNPDNSA-N 0 3 421.585 4.740 40 0 HJABHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370312 558956770 /nfs/dbraw/zinc/95/67/70/558956770.db2.gz TVADSVYPSZBPQB-KRWDZBQOSA-N 0 3 410.587 4.602 40 0 HJABHN CC(C)c1ncc(CN2CCCCC[C@H]2Cc2c3ccccc3sc2C(N)=O)cn1 ZINC000072370686 558957213 /nfs/dbraw/zinc/95/72/13/558957213.db2.gz ODSUCYABPLGIQE-SFHVURJKSA-N 0 3 422.598 4.901 40 0 HJABHN COc1cc(C)c(CN2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c(C)c1C ZINC000072375803 558964866 /nfs/dbraw/zinc/96/48/66/558964866.db2.gz KOENEJMFAVVVIA-OAQYLSRUSA-N 0 3 403.530 4.886 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072376049 558965180 /nfs/dbraw/zinc/96/51/80/558965180.db2.gz RGOGEKNNPFBWHA-OAQYLSRUSA-N 0 3 415.541 4.867 40 0 HJABHN COc1ccc(OC)c(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1 ZINC000072395088 558973824 /nfs/dbraw/zinc/97/38/24/558973824.db2.gz LRKQGXPLCYJSSX-GBXCKJPGSA-N 0 3 421.541 4.809 40 0 HJABHN O=C(C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053205 559093118 /nfs/dbraw/zinc/09/31/18/559093118.db2.gz WCHFIPJZPSQRNP-LJQANCHMSA-N 0 3 410.583 4.662 40 0 HJABHN Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)c2ccccc2O3)s1 ZINC000096053217 559093124 /nfs/dbraw/zinc/09/31/24/559093124.db2.gz FVMNEOFYOQXFAR-FQEVSTJZSA-N 0 3 424.610 4.970 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102735464 559152331 /nfs/dbraw/zinc/15/23/31/559152331.db2.gz IGDNOVPTPQAEFM-ACRUOGEOSA-N 0 3 422.843 4.530 40 0 HJABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000102736351 560731760 /nfs/dbraw/zinc/73/17/60/560731760.db2.gz VWOCTRMVELYDAU-YTFSRNRJSA-N 0 3 400.478 4.564 40 0 HJABHN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000223036372 568535120 /nfs/dbraw/zinc/53/51/20/568535120.db2.gz UXOOPVZRGCHCFE-JOCHJYFZSA-N 0 3 416.949 4.918 40 0 HJABHN CN1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)cc3F)cc2)CC1 ZINC000223751427 568558079 /nfs/dbraw/zinc/55/80/79/568558079.db2.gz XADJTHOPNIGMFV-UHFFFAOYSA-N 0 3 422.953 4.824 40 0 HJABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1Cl ZINC000224159938 568571955 /nfs/dbraw/zinc/57/19/55/568571955.db2.gz LOPORFXACRBDFM-UHFFFAOYSA-N 0 3 400.950 4.689 40 0 HJABHN Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000224391820 568580035 /nfs/dbraw/zinc/58/00/35/568580035.db2.gz GHXUMOPQFCWOSF-YADHBBJMSA-N 0 3 415.497 4.584 40 0 HJABHN CCn1c2ccc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)cc2sc1=O ZINC000225105240 568614826 /nfs/dbraw/zinc/61/48/26/568614826.db2.gz IFXCXNIPKZQYBO-UHFFFAOYSA-N 0 3 409.555 4.567 40 0 HJABHN FC(F)(F)Oc1cccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c1 ZINC000225231523 568624845 /nfs/dbraw/zinc/62/48/45/568624845.db2.gz ICQUPLLGFSLKIM-UHFFFAOYSA-N 0 3 415.506 4.598 40 0 HJABHN CCO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225715088 568666902 /nfs/dbraw/zinc/66/69/02/568666902.db2.gz GMQQFSBSJNCBED-HYBUGGRVSA-N 0 3 402.579 4.721 40 0 HJABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257257115 568792152 /nfs/dbraw/zinc/79/21/52/568792152.db2.gz KODICGCZQMNFKE-IBGZPJMESA-N 0 3 401.514 4.560 40 0 HJABHN Cc1cc(C)nc([N-]c2cncc(C3CC[NH+](Cc4ccc(C)c(C)c4)CC3)n2)n1 ZINC000257283980 568799560 /nfs/dbraw/zinc/79/95/60/568799560.db2.gz PATHQFBMAQEPOC-UHFFFAOYSA-N 0 3 402.546 4.623 40 0 HJABHN Cc1cc(C)nc(Nc2cncc(C3CCN(Cc4ccc(C)c(C)c4)CC3)n2)n1 ZINC000257283980 568799563 /nfs/dbraw/zinc/79/95/63/568799563.db2.gz PATHQFBMAQEPOC-UHFFFAOYSA-N 0 3 402.546 4.623 40 0 HJABHN COc1ccc(CN2CCC(Cc3ccccc3-c3ccccc3)(C(N)=O)CC2)cc1 ZINC000257284183 568799667 /nfs/dbraw/zinc/79/96/67/568799667.db2.gz PBOKPJMYXYHWOY-UHFFFAOYSA-N 0 3 414.549 4.672 40 0 HJABHN Cc1nc(Cc2ccccc2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257286692 568800371 /nfs/dbraw/zinc/80/03/71/568800371.db2.gz PMPGSEWXSGVSGU-CMCWBKRRSA-N 0 3 409.599 4.520 40 0 HJABHN CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CCN(Cc4cncnc4)CC3)C[C@@H]21 ZINC000257342632 568816891 /nfs/dbraw/zinc/81/68/91/568816891.db2.gz ZPMQBZHROUZMHE-PZJWPPBQSA-N 0 3 413.949 4.661 40 0 HJABHN CCOc1ccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000006595702 568937044 /nfs/dbraw/zinc/93/70/44/568937044.db2.gz AVGUOYKVSMTJDN-VWLOTQADSA-N 0 3 420.597 4.779 40 0 HJABHN Cc1nc(NCc2ccccc2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329065780 568975264 /nfs/dbraw/zinc/97/52/64/568975264.db2.gz XURMKUUTSKITGF-UHFFFAOYSA-N 0 3 414.431 4.858 40 0 HJABHN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](N5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012660436 569040219 /nfs/dbraw/zinc/04/02/19/569040219.db2.gz QZQARKHEFRUGSK-BXWCCMRUSA-N 0 3 415.618 4.994 40 0 HJABHN FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCN3C[C@H]3CCOC3)nn21 ZINC000247663417 569315519 /nfs/dbraw/zinc/31/55/19/569315519.db2.gz UQQTWWUFYFFZMD-CZUORRHYSA-N 0 3 422.476 4.650 40 0 HJABHN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccncc1 ZINC000006962594 569336308 /nfs/dbraw/zinc/33/63/08/569336308.db2.gz KRNXGGZQHCWASL-CIAFOILYSA-N 0 3 414.490 4.597 40 0 HJABHN O=C(NCCSCc1cccc(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063575 569342403 /nfs/dbraw/zinc/34/24/03/569342403.db2.gz AMKFQGSHSQJJQH-UHFFFAOYSA-N 0 3 420.981 4.741 40 0 HJABHN Cc1cc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)ccc1Br ZINC000009063583 569342439 /nfs/dbraw/zinc/34/24/39/569342439.db2.gz YXEGOTGGJRNUDN-UHFFFAOYSA-N 0 3 405.311 4.747 40 0 HJABHN CC(C)Oc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019450622 569345382 /nfs/dbraw/zinc/34/53/82/569345382.db2.gz DNRLMGSKDNJJNY-ZJSXRUAMSA-N 0 3 423.601 4.984 40 0 HJABHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044855363 569351951 /nfs/dbraw/zinc/35/19/51/569351951.db2.gz DXYWFGYPDCIKGT-UGKGYDQZSA-N 0 3 410.533 4.765 40 0 HJABHN CCOc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044851380 520947822 /nfs/dbraw/zinc/94/78/22/520947822.db2.gz CWKGPUWWWGWFCJ-NRFANRHFSA-N 0 3 414.977 4.700 40 0 HJABHN Cc1cc(C)c(-n2cccn2)c(CN(CCCn2ccnc2)Cc2ccc(F)cc2)c1 ZINC000043277685 524211281 /nfs/dbraw/zinc/21/12/81/524211281.db2.gz HWYCLVLJWIXDTD-UHFFFAOYSA-N 0 3 417.532 4.917 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)c1 ZINC000044855224 524387262 /nfs/dbraw/zinc/38/72/62/524387262.db2.gz VFNCRMDPGCTCTQ-QHCPKHFHSA-N 0 3 406.570 4.934 40 0 HJABHN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044855395 526173870 /nfs/dbraw/zinc/17/38/70/526173870.db2.gz QYTYYMPSURVJOR-QFIPXVFZSA-N 0 3 410.533 4.765 40 0 HJABHN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CN2CCCC2)cc1 ZINC000010329206 557860425 /nfs/dbraw/zinc/86/04/25/557860425.db2.gz BQUZUCZKZIANPM-UHFFFAOYSA-N 0 3 405.542 4.597 40 0 HJABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012293478 558366457 /nfs/dbraw/zinc/36/64/57/558366457.db2.gz KAJQPPIXJILCML-RPWUZVMVSA-N 0 3 403.522 4.532 40 0 HJABHN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293600 558366765 /nfs/dbraw/zinc/36/67/65/558366765.db2.gz IVUFUDXYAVTLJF-RPBOFIJWSA-N 0 3 417.549 4.841 40 0 HJABHN Clc1ccc(COc2ccc(Br)cc2CNC[C@H]2CCCO2)cc1 ZINC000016401775 558790189 /nfs/dbraw/zinc/79/01/89/558790189.db2.gz CAPYPTYHWAKBQX-GOSISDBHSA-N 0 3 410.739 4.950 40 0 HJABHN Cc1ccc(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)cc1 ZINC000039964021 558823013 /nfs/dbraw/zinc/82/30/13/558823013.db2.gz AQXDPARURFMJAD-QHCPKHFHSA-N 0 3 424.504 4.504 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@H]3C2=O)cc1 ZINC000101056836 558825856 /nfs/dbraw/zinc/82/58/56/558825856.db2.gz WNDKNSZFOUQZQR-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C1=O ZINC000013513354 558835627 /nfs/dbraw/zinc/83/56/27/558835627.db2.gz FSNRYIANYKCYPE-FKBYEOEOSA-N 0 3 418.880 4.700 40 0 HJABHN CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccccc3)cc12 ZINC000013564676 558843750 /nfs/dbraw/zinc/84/37/50/558843750.db2.gz BFIHLBQYECDQQC-UHFFFAOYSA-N 0 3 420.944 4.955 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000013618716 558848290 /nfs/dbraw/zinc/84/82/90/558848290.db2.gz NCMXLZBQFZUUHH-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(Cc4ccncc4C)C3)cc2N1 ZINC000019500879 558898744 /nfs/dbraw/zinc/89/87/44/558898744.db2.gz RWCYJNURQPBREZ-ZIFCJYIRSA-N 0 3 407.484 4.664 40 0 HJABHN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2cccc(C)n2)C1 ZINC000019522018 558903173 /nfs/dbraw/zinc/90/31/73/558903173.db2.gz XUTPVSYHSFFMKW-AWEZNQCLSA-N 0 3 404.436 4.887 40 0 HJABHN CCOc1ccc(CN(Cc2ccc(F)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019533173 558912977 /nfs/dbraw/zinc/91/29/77/558912977.db2.gz JXPFKQKYDLYRDO-PXDATVDWSA-N 0 3 424.516 4.781 40 0 HJABHN COc1ccccc1CN1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000019568917 558928103 /nfs/dbraw/zinc/92/81/03/558928103.db2.gz IZRJIWHUCBMYPR-HNNXBMFYSA-N 0 3 405.420 4.938 40 0 HJABHN Cc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000019569113 558928267 /nfs/dbraw/zinc/92/82/67/558928267.db2.gz HLSNUGQSPSMAKD-UHFFFAOYSA-N 0 3 421.467 4.950 40 0 HJABHN COc1ccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(C)c1C ZINC000019577306 558933194 /nfs/dbraw/zinc/93/31/94/558933194.db2.gz DVERTLDTQPTTPZ-XMMPIXPASA-N 0 3 423.601 4.823 40 0 HJABHN COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330408 558934541 /nfs/dbraw/zinc/93/45/41/558934541.db2.gz BFNRFIIFQPRIMC-CVDCTZTESA-N 0 3 421.566 4.535 40 0 HJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@@H](Cc2cccc3cccnc32)C1 ZINC000257281251 558999516 /nfs/dbraw/zinc/99/95/16/558999516.db2.gz OOHZBGBYKKOHPS-NRFANRHFSA-N 0 3 413.565 4.926 40 0 HJABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053473 559093537 /nfs/dbraw/zinc/09/35/37/559093537.db2.gz NBYLPEYVDGTPQM-NRFANRHFSA-N 0 3 424.560 4.985 40 0 HJABHN Cc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2n1 ZINC000016268858 560859646 /nfs/dbraw/zinc/85/96/46/560859646.db2.gz MAOABBQFKFDTPL-UHFFFAOYSA-N 0 3 400.309 4.812 40 0 HJABHN C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]54C)[C@H]3CN2C1 ZINC000108235054 560898527 /nfs/dbraw/zinc/89/85/27/560898527.db2.gz NEMWYOKGHGSVSC-GKRMQQBDSA-N 0 3 415.662 4.563 40 0 biogenic HJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000005478499 568443772 /nfs/dbraw/zinc/44/37/72/568443772.db2.gz IDGCKJXQNAKQSW-VXNXHJTFSA-N 0 3 412.489 4.609 40 0 HJABHN CC1CCN(Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)CC1 ZINC000223618783 568553544 /nfs/dbraw/zinc/55/35/44/568553544.db2.gz SAHFQYJBSDEUCW-UHFFFAOYSA-N 0 3 402.538 4.881 40 0 HJABHN Cc1ccc(C)c(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000223979436 568565146 /nfs/dbraw/zinc/56/51/46/568565146.db2.gz LVDWXZUEYWVCPH-UHFFFAOYSA-N 0 3 414.549 4.671 40 0 HJABHN Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)ccc1Cl ZINC000224849659 568600193 /nfs/dbraw/zinc/60/01/93/568600193.db2.gz SYTKFFZFNPJUGP-SFHVURJKSA-N 0 3 400.950 4.718 40 0 HJABHN CCN(CC)c1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2cccnc2)n1 ZINC000257226297 568783869 /nfs/dbraw/zinc/78/38/69/568783869.db2.gz FKAKFTAGNVHNMD-UHFFFAOYSA-N 0 3 419.548 4.904 40 0 HJABHN COc1cccc(CN2CCC3(CC2)Oc2c(OC)cccc2[C@H]2OCCC[C@@H]23)c1 ZINC000257296991 568803599 /nfs/dbraw/zinc/80/35/99/568803599.db2.gz RFHQVLBYMBDMFA-JTHBVZDNSA-N 0 3 409.526 4.599 40 0 HJABHN Cc1ncc(CN2CC[C@H](c3cc(COc4cccc(C(F)(F)F)c4)[nH]n3)C2)s1 ZINC000257321911 568811026 /nfs/dbraw/zinc/81/10/26/568811026.db2.gz WDVGHAOBAOBDRU-AWEZNQCLSA-N 0 3 422.476 4.762 40 0 HJABHN COc1cc(C)ccc1CN1CCC(c2cncc(Nc3cccc(C)n3)n2)CC1 ZINC000257334007 568814239 /nfs/dbraw/zinc/81/42/39/568814239.db2.gz YECXBGHHXWNQIV-UHFFFAOYSA-N 0 3 403.530 4.620 40 0 HJABHN CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)NCCN(C)C)cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000257334072 568814481 /nfs/dbraw/zinc/81/44/81/568814481.db2.gz YEKCUGOSBYISGN-XHYJFUKLSA-N 0 3 414.590 4.732 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000100122153 569012052 /nfs/dbraw/zinc/01/20/52/569012052.db2.gz UATSXNGJSNRLHJ-NJYVYQBISA-N 0 3 422.843 4.530 40 0 HJABHN COc1ccc(OCc2sc([C@]3(O)CCCN(CC(C)(C)C)CC3)nc2C)cc1 ZINC000019705277 569347880 /nfs/dbraw/zinc/34/78/80/569347880.db2.gz ZLDZQMCAMRNOQI-QHCPKHFHSA-N 0 3 418.603 4.759 40 0 HJABHN Cc1ccccc1N1CCN(CCCOC(=O)Nc2cccc3ccccc32)CC1 ZINC000004823081 132289816 /nfs/dbraw/zinc/28/98/16/132289816.db2.gz AWBREZKDIPFTBT-UHFFFAOYSA-N 0 3 403.526 4.909 40 0 HJABHN CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000044916178 519782627 /nfs/dbraw/zinc/78/26/27/519782627.db2.gz XWQKAXQSNJJUAK-UHFFFAOYSA-N 0 3 412.549 4.574 40 0 HJABHN CC1(C)C[C@@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918112 520520303 /nfs/dbraw/zinc/52/03/03/520520303.db2.gz DVBXOJVCDQKCPK-WIYYLYMNSA-N 0 3 412.961 4.971 40 0 HJABHN COc1ccc2nc(CN(CCCn3ccnc3)Cc3cccc(F)c3)ccc2c1 ZINC000043277710 525665396 /nfs/dbraw/zinc/66/53/96/525665396.db2.gz PPYROLHYEYAUCV-UHFFFAOYSA-N 0 3 404.489 4.672 40 0 HJABHN O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044906341 526272104 /nfs/dbraw/zinc/27/21/04/526272104.db2.gz GHRVXQLNSALGTD-IBGZPJMESA-N 0 3 405.369 4.954 40 0 HJABHN CCN(CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccc(Cl)cc3)oc12 ZINC000001584261 557274178 /nfs/dbraw/zinc/27/41/78/557274178.db2.gz CAEJDQUPSRTFRW-UHFFFAOYSA-N 0 3 413.901 4.541 40 0 HJABHN CCOc1cccc(N(CCN(C)C)C(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000001758901 557285428 /nfs/dbraw/zinc/28/54/28/557285428.db2.gz XBPVJHVQSKSPCJ-UHFFFAOYSA-N 0 3 402.538 4.812 40 0 HJABHN Cc1nn(-c2ccccn2)c2nc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)ccc12 ZINC000019742440 558262655 /nfs/dbraw/zinc/26/26/55/558262655.db2.gz VIOUIUHXGRQTQE-DEOSSOPVSA-N 0 3 422.536 4.953 40 0 HJABHN COCc1cc(CN2CCC[C@H](c3ccc4c(C)nn(C)c4n3)C2)ccc1OC(C)C ZINC000019742509 558263022 /nfs/dbraw/zinc/26/30/22/558263022.db2.gz YXCXPUAYPZSVCG-FQEVSTJZSA-N 0 3 422.573 4.590 40 0 HJABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012293482 558366422 /nfs/dbraw/zinc/36/64/22/558366422.db2.gz KAJQPPIXJILCML-DNQXCXABSA-N 0 3 403.522 4.532 40 0 HJABHN CC(C)(C)c1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293568 558366786 /nfs/dbraw/zinc/36/67/86/558366786.db2.gz JDWBHSUFEBWAMY-VXKWHMMOSA-N 0 3 413.533 4.507 40 0 HJABHN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329846 558384933 /nfs/dbraw/zinc/38/49/33/558384933.db2.gz LDSKHFAHKGVVLZ-PMACEKPBSA-N 0 3 422.352 4.686 40 0 HJABHN Clc1ccc(COc2ccc3ccccc3c2CNCCCN2CCOCC2)cc1 ZINC000022074036 558462211 /nfs/dbraw/zinc/46/22/11/558462211.db2.gz GKKSEFXPVCSXHD-UHFFFAOYSA-N 0 3 424.972 4.884 40 0 HJABHN CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000027911231 558684521 /nfs/dbraw/zinc/68/45/21/558684521.db2.gz QXJSPPFTSSFHLP-QGZVFWFLSA-N 0 3 409.412 4.994 40 0 HJABHN O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039753419 558687214 /nfs/dbraw/zinc/68/72/14/558687214.db2.gz PEBQPAIGAUYUPS-UHFFFAOYSA-N 0 3 420.981 4.741 40 0 HJABHN O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038833928 558817251 /nfs/dbraw/zinc/81/72/51/558817251.db2.gz VVWHURCOZMWHEK-OAHLLOKOSA-N 0 3 407.739 4.953 40 0 HJABHN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038833992 558817365 /nfs/dbraw/zinc/81/73/65/558817365.db2.gz MUNLQWGYVMXBNU-HNNXBMFYSA-N 0 3 407.739 4.953 40 0 HJABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019219233 558851302 /nfs/dbraw/zinc/85/13/02/558851302.db2.gz BNUYXGDPPAFICD-GOTSBHOMSA-N 0 3 409.570 4.677 40 0 HJABHN COc1c(C)cccc1CN1CCC([C@@H](NC(=O)CC(C)C)c2ccccn2)CC1 ZINC000019235926 558855009 /nfs/dbraw/zinc/85/50/09/558855009.db2.gz SBSYOISJZAMVLC-XMMPIXPASA-N 0 3 409.574 4.514 40 0 HJABHN Cc1c2ccccc2[nH]c1CN1CCC([C@H](NC(=O)C2CCC2)c2ccccn2)CC1 ZINC000019565884 558925686 /nfs/dbraw/zinc/92/56/86/558925686.db2.gz OWXVYPQOJCRPQK-VWLOTQADSA-N 0 3 416.569 4.741 40 0 HJABHN COc1cccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568898 558928073 /nfs/dbraw/zinc/92/80/73/558928073.db2.gz JUQSXCZCBFQKIE-HNNXBMFYSA-N 0 3 405.420 4.938 40 0 HJABHN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072345978 558942688 /nfs/dbraw/zinc/94/26/88/558942688.db2.gz DBMJXASZWKXEMT-INIZCTEOSA-N 0 3 413.447 4.519 40 0 HJABHN CCn1cc(CN2CCC[C@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1 ZINC000072354106 558951425 /nfs/dbraw/zinc/95/14/25/558951425.db2.gz CKMKWQJKWPNWBJ-QHCPKHFHSA-N 0 3 418.585 4.894 40 0 HJABHN COc1cc(C)c(CN2CCC[C@@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)c(C)c1C ZINC000019690825 558960316 /nfs/dbraw/zinc/96/03/16/558960316.db2.gz FVNQOMLJTVSNOO-HSZRJFAPSA-N 0 3 417.557 4.700 40 0 HJABHN COc1ccc(CN2CCC([C@@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 ZINC000019698355 558965964 /nfs/dbraw/zinc/96/59/64/558965964.db2.gz LCYRKAUYLMMQPR-VWLOTQADSA-N 0 3 422.544 4.651 40 0 HJABHN CC(C)Oc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398621 558976324 /nfs/dbraw/zinc/97/63/24/558976324.db2.gz YQXYCXVLJBZQTO-QPPBQGQZSA-N 0 3 423.601 4.984 40 0 HJABHN Cc1c(CN2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)nc2ccccn12 ZINC000585100551 559023997 /nfs/dbraw/zinc/02/39/97/559023997.db2.gz NGRVDAGLTFMDFM-VWLOTQADSA-N 0 3 408.590 4.570 40 0 HJABHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096037034 559090774 /nfs/dbraw/zinc/09/07/74/559090774.db2.gz ZQBLSJYALSVBHO-UHFFFAOYSA-N 0 3 404.533 4.516 40 0 HJABHN O=C(C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053209 559093126 /nfs/dbraw/zinc/09/31/26/559093126.db2.gz RQEHUXHSPBIKGB-HXUWFJFHSA-N 0 3 410.583 4.662 40 0 HJABHN CC(C)CNC(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053507 559093603 /nfs/dbraw/zinc/09/36/03/559093603.db2.gz WEXYPFDKBCLEEM-IBGZPJMESA-N 0 3 412.599 4.811 40 0 HJABHN CC(C)n1cnc2c1cc(C1CCN(Cc3cccs3)CC1)nc2-c1cnn(C)c1 ZINC000096100044 559095473 /nfs/dbraw/zinc/09/54/73/559095473.db2.gz HGPUAJWEGFJPJR-UHFFFAOYSA-N 0 3 420.586 4.854 40 0 HJABHN OCCN1CCC(c2ccnc(Nc3ncc(/C=C/c4ccc(F)cc4)s3)c2)CC1 ZINC000585262783 559111378 /nfs/dbraw/zinc/11/13/78/559111378.db2.gz FOBIKDBPKCSCSW-ZZXKWVIFSA-N 0 3 424.545 4.763 40 0 HJABHN COc1ccccc1CN1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290350 559122922 /nfs/dbraw/zinc/12/29/22/559122922.db2.gz QMFQXSKBKDHHGD-OAHLLOKOSA-N 0 3 418.419 4.539 40 0 HJABHN C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)C1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102697247 559152012 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0 3 419.569 4.611 40 0 HJABHN CC(=O)Nc1ccc(CN2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cc1 ZINC000257311551 568807651 /nfs/dbraw/zinc/80/76/51/568807651.db2.gz UJZVFLOXEZKQFN-KOVSNXQUSA-N 0 3 406.526 4.537 40 0 HJABHN CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN(CCO)Cc2ccccc2)cc1 ZINC000026780407 568831289 /nfs/dbraw/zinc/83/12/89/568831289.db2.gz RXSZNNUEYOEETB-HSZRJFAPSA-N 0 3 413.602 4.635 40 0 HJABHN CCOc1ccccc1CN1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000006790962 568937008 /nfs/dbraw/zinc/93/70/08/568937008.db2.gz FQWIETFSWUKQHB-RUZDIDTESA-N 0 3 420.597 4.779 40 0 HJABHN O=C(NC[C@@H](c1cccc2ccccc21)N1CCCC1)c1ccc(Br)o1 ZINC000010330591 569311662 /nfs/dbraw/zinc/31/16/62/569311662.db2.gz MJRRSNQOIVJKEO-SFHVURJKSA-N 0 3 413.315 4.762 40 0 HJABHN Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855213 569352019 /nfs/dbraw/zinc/35/20/19/569352019.db2.gz FEHJMIGOEQMILR-SIKLNZKXSA-N 0 3 410.533 4.765 40 0 HJABHN CC1(C)C[C@@H](NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918122 569352079 /nfs/dbraw/zinc/35/20/79/569352079.db2.gz DVBXOJVCDQKCPK-GHTZIAJQSA-N 0 3 412.961 4.971 40 0 HJABHN CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(Cc2ccccn2)CC1 ZINC000019700299 569428590 /nfs/dbraw/zinc/42/85/90/569428590.db2.gz LCYIOJGBCWBSKK-UHFFFAOYSA-N 0 3 413.565 4.662 40 0 HJABHN CCN1CCN(c2ccc(NC(=O)C(C)(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000006517634 132311465 /nfs/dbraw/zinc/31/14/65/132311465.db2.gz CALOFSQEYLQYGG-UHFFFAOYSA-N 0 3 413.565 4.773 40 0 HJABHN CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1Cl ZINC000044939858 521490659 /nfs/dbraw/zinc/49/06/59/521490659.db2.gz NQFHIWHLUQLQFH-UHFFFAOYSA-N 0 3 414.933 4.676 40 0 HJABHN O=C(OCCN1CCCCC1)[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000001710850 557282173 /nfs/dbraw/zinc/28/21/73/557282173.db2.gz BXGAZMHAVGAZRZ-HHHXNRCGSA-N 0 3 415.533 4.619 40 0 HJABHN COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008497900 557793549 /nfs/dbraw/zinc/79/35/49/557793549.db2.gz DYCBZWDWXUIEPR-NSHDSACASA-N 0 3 404.721 4.705 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@H]3C2=O)c1 ZINC000008741673 557803910 /nfs/dbraw/zinc/80/39/10/557803910.db2.gz FNZHQOGUUKMVSU-AABGKKOBSA-N 0 3 424.909 4.761 40 0 HJABHN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(CN2CCCC2)cc1 ZINC000010691213 558259857 /nfs/dbraw/zinc/25/98/57/558259857.db2.gz INFWMYPISVOYKQ-UHFFFAOYSA-N 0 3 405.542 4.551 40 0 HJABHN O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000010691419 558259871 /nfs/dbraw/zinc/25/98/71/558259871.db2.gz HHOVBBNPFCKDMP-UHFFFAOYSA-N 0 3 419.569 4.941 40 0 HJABHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000011582421 558264280 /nfs/dbraw/zinc/26/42/80/558264280.db2.gz GOYZKYVQWGNNAH-HKBOAZHASA-N 0 3 422.843 4.530 40 0 HJABHN O=C(CC1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccccc1 ZINC000019962047 558315806 /nfs/dbraw/zinc/31/58/06/558315806.db2.gz PEHPQEYCVJNUKN-QFIPXVFZSA-N 0 3 414.509 4.843 40 0 HJABHN CCCOc1c(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cccc1OC ZINC000012238102 558358945 /nfs/dbraw/zinc/35/89/45/558358945.db2.gz RAZCJLOUWJERIA-KEVCNVLYSA-N 0 3 411.542 4.507 40 0 HJABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1Cl ZINC000020489960 558377687 /nfs/dbraw/zinc/37/76/87/558377687.db2.gz VBVNPEBICXGAAN-UHFFFAOYSA-N 0 3 400.906 4.755 40 0 HJABHN C[C@@H]1CCCC[C@@H]1N1C(=O)C(CC(=O)Nc2ccccc2)n2c3ccccc3nc21 ZINC000039964054 558823030 /nfs/dbraw/zinc/82/30/30/558823030.db2.gz ARQJGEPDWWYSNZ-LKUPVBHCSA-N 0 3 402.498 4.532 40 0 HJABHN CC(C)C[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000013757666 558865584 /nfs/dbraw/zinc/86/55/84/558865584.db2.gz VWOCTRMVELYDAU-VABKMULXSA-N 0 3 400.478 4.564 40 0 HJABHN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(Cc2cccnc2)C1 ZINC000019449615 558888224 /nfs/dbraw/zinc/88/82/24/558888224.db2.gz XPHZOZGDRORJCT-RUZDIDTESA-N 0 3 419.594 4.770 40 0 HJABHN COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4cccs4)C[C@@H]32)c1 ZINC000019566377 558926124 /nfs/dbraw/zinc/92/61/24/558926124.db2.gz BJGIOAUHGAULBE-WXFUMESZSA-N 0 3 424.610 4.763 40 0 HJABHN Cc1ccccc1CN1CCC(c2nnc([C@@H]3CCCCN3C(=O)CC(C)C)o2)CC1 ZINC000072344951 558941296 /nfs/dbraw/zinc/94/12/96/558941296.db2.gz VKSMNBRKQZFZTK-QFIPXVFZSA-N 0 3 424.589 4.857 40 0 HJABHN CCn1ncc(CN2CCC(c3cc(Cc4cccc(OC)c4)cc(C)n3)CC2)c1C ZINC000019687075 558957077 /nfs/dbraw/zinc/95/70/77/558957077.db2.gz UKZJXDFVNILCQF-UHFFFAOYSA-N 0 3 418.585 4.894 40 0 HJABHN COc1cc(C)c(CN2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c(C)c1C ZINC000072375804 558964891 /nfs/dbraw/zinc/96/48/91/558964891.db2.gz KOENEJMFAVVVIA-NRFANRHFSA-N 0 3 403.530 4.886 40 0 HJABHN Cc1ccc(Nc2nccc([C@@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377988 558967160 /nfs/dbraw/zinc/96/71/60/558967160.db2.gz CALLHRKSGJFUSK-OAQYLSRUSA-N 0 3 410.525 4.851 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053086 559092918 /nfs/dbraw/zinc/09/29/18/559092918.db2.gz HSTPBLMEFNOWRZ-IBGZPJMESA-N 0 3 410.583 4.565 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3ccsc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053210 559093073 /nfs/dbraw/zinc/09/30/73/559093073.db2.gz RQEHUXHSPBIKGB-FQEVSTJZSA-N 0 3 410.583 4.662 40 0 HJABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053321 559093171 /nfs/dbraw/zinc/09/31/71/559093171.db2.gz ZPTLLRIXELKUQQ-HXUWFJFHSA-N 0 3 410.533 4.641 40 0 HJABHN COc1ccc(-c2nc(C3CCN(Cc4ccc(C)o4)CC3)cc3c2ncn3C)cc1 ZINC000096099981 559095260 /nfs/dbraw/zinc/09/52/60/559095260.db2.gz SLXQDPHNXWECRB-UHFFFAOYSA-N 0 3 416.525 4.925 40 0 HJABHN Fc1ccccc1CN1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290693 559123286 /nfs/dbraw/zinc/12/32/86/559123286.db2.gz UCOWINQHNMHIGB-HNNXBMFYSA-N 0 3 406.383 4.669 40 0 HJABHN COc1ccc(-c2nnc(SCCN3CCCCC3)n2-c2ccccc2)cc1OC ZINC000001224395 560572519 /nfs/dbraw/zinc/57/25/19/560572519.db2.gz CSVRBGMJOLPQMO-UHFFFAOYSA-N 0 3 424.570 4.530 40 0 HJABHN Cc1cc(C)c(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c(C)c1 ZINC000005625870 560627889 /nfs/dbraw/zinc/62/78/89/560627889.db2.gz CJRHHKZEIZMSCZ-UHFFFAOYSA-N 0 3 410.949 4.960 40 0 HJABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCCCC[NH+](C)C)c1[O-])OC2(C)C ZINC000409412936 560723063 /nfs/dbraw/zinc/72/30/63/560723063.db2.gz LBHFMWXENPEIAQ-MISYRCLQSA-N 0 3 416.606 4.935 40 0 HJABHN COc1c(Br)cc(Br)cc1CNCCc1ccc(F)cc1 ZINC000016194487 560859348 /nfs/dbraw/zinc/85/93/48/560859348.db2.gz NUDYRLRFUDMKFR-UHFFFAOYSA-N 0 3 417.116 4.692 40 0 HJABHN CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 ZINC000017088373 560863407 /nfs/dbraw/zinc/86/34/07/560863407.db2.gz DVIGNZNTCVNDKB-UHFFFAOYSA-N 0 3 409.917 4.994 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000005053688 568432077 /nfs/dbraw/zinc/43/20/77/568432077.db2.gz CZNJUCWEUUULRC-VSKRKVRLSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000005085964 568432479 /nfs/dbraw/zinc/43/24/79/568432479.db2.gz CNTPOBMIWIPEHC-BDTNDASRSA-N 0 3 418.880 4.700 40 0 HJABHN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(CN4CCC(C)CC4)cc3)n2)c1 ZINC000219236342 568488330 /nfs/dbraw/zinc/48/83/30/568488330.db2.gz HBJUJOICQZDZFL-UHFFFAOYSA-N 0 3 418.541 4.549 40 0 HJABHN CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000223730095 568557545 /nfs/dbraw/zinc/55/75/45/568557545.db2.gz NADNNFLATHLFCN-HXUWFJFHSA-N 0 3 412.549 4.530 40 0 HJABHN Cc1cc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)ccc1Cl ZINC000224849709 568600155 /nfs/dbraw/zinc/60/01/55/568600155.db2.gz SYTKFFZFNPJUGP-GOSISDBHSA-N 0 3 400.950 4.718 40 0 HJABHN CCCSc1nnc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)s1 ZINC000224866995 568601246 /nfs/dbraw/zinc/60/12/46/568601246.db2.gz FMCXKFXKCSSCCV-UHFFFAOYSA-N 0 3 424.595 4.851 40 0 HJABHN COc1cccc2cc(CN3CC[C@@H](c4cc(COc5ccccc5)[nH]n4)C3)oc21 ZINC000019704277 569347533 /nfs/dbraw/zinc/34/75/33/569347533.db2.gz QKUMSPHYZGOSRM-GOSISDBHSA-N 0 3 403.482 4.733 40 0 HJABHN CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000044851589 520474242 /nfs/dbraw/zinc/47/42/42/520474242.db2.gz WTLSHBQSGASLIY-UHFFFAOYSA-N 0 3 408.586 4.745 40 0 HJABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936089 522760352 /nfs/dbraw/zinc/76/03/52/522760352.db2.gz YEPDFOQGCJUBHX-DENIHFKCSA-N 0 3 400.950 4.828 40 0 HJABHN O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408608019 557519622 /nfs/dbraw/zinc/51/96/22/557519622.db2.gz LTVTTZADOYHOPS-AREMUKBSSA-N 0 3 410.561 4.868 40 0 HJABHN Cc1nc([C@@H]2CCN(CCc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753192 558272423 /nfs/dbraw/zinc/27/24/23/558272423.db2.gz RNCINCDAMATFAZ-LJQANCHMSA-N 0 3 420.944 4.723 40 0 HJABHN Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCCC[C@H]2CN2CCCCC2)s1 ZINC000012238205 558358906 /nfs/dbraw/zinc/35/89/06/558358906.db2.gz DQCKBWXAJGYQHI-FQEVSTJZSA-N 0 3 415.578 4.667 40 0 HJABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012293488 558366466 /nfs/dbraw/zinc/36/64/66/558366466.db2.gz KAJQPPIXJILCML-BJKOFHAPSA-N 0 3 403.522 4.532 40 0 HJABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 ZINC000012329859 558384819 /nfs/dbraw/zinc/38/48/19/558384819.db2.gz JPDYXERKSBHLFN-GOTSBHOMSA-N 0 3 423.940 4.877 40 0 HJABHN CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1OCC ZINC000039756949 558687791 /nfs/dbraw/zinc/68/77/91/558687791.db2.gz ZUJBJZUYPWLTHR-FQEVSTJZSA-N 0 3 424.585 4.882 40 0 HJABHN CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000030943375 558745908 /nfs/dbraw/zinc/74/59/08/558745908.db2.gz YRRDLXLCYHIDRG-FQEVSTJZSA-N 0 3 412.505 4.633 40 0 HJABHN Cc1ccc(CSCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038837187 558818195 /nfs/dbraw/zinc/81/81/95/558818195.db2.gz KMXZEBDIPPFYOL-NRFANRHFSA-N 0 3 417.018 4.910 40 0 HJABHN Cc1cc2ccncc2n1CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccc(OC(C)C)cc1 ZINC000019127148 558844769 /nfs/dbraw/zinc/84/47/69/558844769.db2.gz OBKXOWDLIRLHFO-XZQOPNAISA-N 0 3 419.569 4.690 40 0 HJABHN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000019400587 558883102 /nfs/dbraw/zinc/88/31/02/558883102.db2.gz POCFLAXVMYQDQM-HYBUGGRVSA-N 0 3 421.491 4.743 40 0 HJABHN COc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)cc1 ZINC000019555479 558918319 /nfs/dbraw/zinc/91/83/19/558918319.db2.gz YZCYLUZGDDHNHF-HJOGWXRNSA-N 0 3 424.610 4.763 40 0 HJABHN COc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c(OC)c1 ZINC000019565041 558925251 /nfs/dbraw/zinc/92/52/51/558925251.db2.gz IJQGHYIMVNBCAV-UHFFFAOYSA-N 0 3 417.456 4.866 40 0 HJABHN CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CCN(CCc3ccccc3)CC2)o1 ZINC000072344939 558941354 /nfs/dbraw/zinc/94/13/54/558941354.db2.gz KUVUHJIVFFPDKK-JOCHJYFZSA-N 0 3 424.589 4.591 40 0 HJABHN Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072345948 558942423 /nfs/dbraw/zinc/94/24/23/558942423.db2.gz VDTBMZDTUOATQE-QGZVFWFLSA-N 0 3 413.447 4.519 40 0 HJABHN COc1cc(/C=C/C2=CCN(C)CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000072346472 558943300 /nfs/dbraw/zinc/94/33/00/558943300.db2.gz QNXJLERDJHDYTC-BQYQJAHWSA-N 0 3 412.917 4.641 40 0 HJABHN FC(F)(F)c1cccc(-c2noc([C@H]3CCN(CCOc4ccccc4)C3)n2)c1 ZINC000072369969 558956155 /nfs/dbraw/zinc/95/61/55/558956155.db2.gz HHLPWIZSOFLNCR-INIZCTEOSA-N 0 3 403.404 4.624 40 0 HJABHN CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ccnn1C ZINC000072370755 558957248 /nfs/dbraw/zinc/95/72/48/558957248.db2.gz PNUDHIHDLYTAGP-SFHVURJKSA-N 0 3 424.614 4.760 40 0 HJABHN CCn1ncc(CN2CCC(c3cc(Cc4ccc(OC)cc4)cc(C)n3)CC2)c1C ZINC000019691590 558960801 /nfs/dbraw/zinc/96/08/01/558960801.db2.gz MVAKNWWUAWNHTE-UHFFFAOYSA-N 0 3 418.585 4.894 40 0 HJABHN CCn1ncc(CN2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)c1C ZINC000072374960 558963410 /nfs/dbraw/zinc/96/34/10/558963410.db2.gz JNLSJIFELVHCRY-HXUWFJFHSA-N 0 3 404.562 4.741 40 0 HJABHN Fc1ccccc1OCCc1cc([C@H]2CCCN2Cc2ccc3[nH]ccc3c2)n[nH]1 ZINC000072378358 558967537 /nfs/dbraw/zinc/96/75/37/558967537.db2.gz UPVFZBIJGZBFGI-HSZRJFAPSA-N 0 3 404.489 4.989 40 0 HJABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3c(C)noc3C)CC2)c2ccccc21 ZINC000096053040 559092891 /nfs/dbraw/zinc/09/28/91/559092891.db2.gz WCAZHLRUKNFRKH-FQEVSTJZSA-N 0 3 409.574 4.571 40 0 HJABHN O=C(C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053099 559092989 /nfs/dbraw/zinc/09/29/89/559092989.db2.gz SHIPHFVJJGWJPX-OAQYLSRUSA-N 0 3 422.544 4.643 40 0 HJABHN O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)C1 ZINC000096071327 559094365 /nfs/dbraw/zinc/09/43/65/559094365.db2.gz UWEJYIINOUUCJK-QHCPKHFHSA-N 0 3 400.925 4.679 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(C)c3)C2)cc1 ZINC000072359046 559186108 /nfs/dbraw/zinc/18/61/08/559186108.db2.gz RJUPSXLYFDWKGR-QFIPXVFZSA-N 0 3 400.526 4.790 40 0 HJABHN CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1 ZINC000257232478 559283889 /nfs/dbraw/zinc/28/38/89/559283889.db2.gz GLAPTNOPICMXFN-UHFFFAOYSA-N 0 3 413.565 4.710 40 0 HJABHN CN1[C@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccc(F)cc3)C[C@@H]1CC2 ZINC000000848778 559288962 /nfs/dbraw/zinc/28/89/62/559288962.db2.gz GGHRAFZJZACSIF-RTWAWAEBSA-N 0 3 403.501 4.742 40 0 HJABHN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(CC2CCCCC2)CC[C@@]1(C)O ZINC000514290021 560030791 /nfs/dbraw/zinc/03/07/91/560030791.db2.gz VALOAXHMDXHLGC-QNWVGRARSA-N 0 3 406.636 4.747 40 0 biogenic,in-vitro HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@H]3C2=O)c1 ZINC000095483670 560558403 /nfs/dbraw/zinc/55/84/03/560558403.db2.gz GLTQFBFWISJYOZ-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN CCc1cccc(C)c1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000005625535 560627971 /nfs/dbraw/zinc/62/79/71/560627971.db2.gz QCZLXSRMIFHJMU-UHFFFAOYSA-N 0 3 410.949 4.905 40 0 HJABHN CCOC(=O)C1=C(C)NC(SCC(C)C)=N[C@H]1c1cccc(Br)c1 ZINC000408986477 560661637 /nfs/dbraw/zinc/66/16/37/560661637.db2.gz COBYOGOADFIRJM-INIZCTEOSA-N 0 3 411.365 4.676 40 0 HJABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000102728607 560731754 /nfs/dbraw/zinc/73/17/54/560731754.db2.gz FNBXZQRPOLLYGF-IPMKNSEASA-N 0 3 419.308 4.718 40 0 HJABHN COc1ccc(C)cc1CN1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257278542 568798158 /nfs/dbraw/zinc/79/81/58/568798158.db2.gz OCQOVHDSJUJJIF-LJQANCHMSA-N 0 3 424.589 4.511 40 0 HJABHN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257330112 568813229 /nfs/dbraw/zinc/81/32/29/568813229.db2.gz XMWYNYJCJUPJBD-QPXQOZNCSA-N 0 3 413.562 4.735 40 0 HJABHN C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@H]3CN2C1 ZINC000070707812 569057220 /nfs/dbraw/zinc/05/72/20/569057220.db2.gz NEMWYOKGHGSVSC-VEQVJXMCSA-N 0 3 415.662 4.563 40 0 HJABHN C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]54C)[C@@H]3CN2C1 ZINC000252461636 569286760 /nfs/dbraw/zinc/28/67/60/569286760.db2.gz NEMWYOKGHGSVSC-AGSGSVLHSA-N 0 3 415.662 4.563 40 0 biogenic HJABHN C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3CN2C1 ZINC000252461638 569286805 /nfs/dbraw/zinc/28/68/05/569286805.db2.gz NEMWYOKGHGSVSC-ORPUPVDGSA-N 0 3 415.662 4.563 40 0 biogenic HJABHN C[C@@H]([C@@H](O)COC(=O)/C=C/c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000026897346 569292388 /nfs/dbraw/zinc/29/23/88/569292388.db2.gz FTPFDUPCPIJWBQ-SRWHSLIMSA-N 0 3 415.533 4.695 40 0 HJABHN COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044937211 569352090 /nfs/dbraw/zinc/35/20/90/569352090.db2.gz XSQROISHEKNCPW-URXFXBBRSA-N 0 3 412.549 4.950 40 0 HJABHN C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 ZINC000070707807 569352490 /nfs/dbraw/zinc/35/24/90/569352490.db2.gz NEMWYOKGHGSVSC-NRJMKECVSA-N 0 3 415.662 4.563 40 0 HJABHN Cc1cccc2c(C(=O)NC(C)(C)CN3CCCCC3)cc(-c3ccccn3)nc12 ZINC000141551352 569354814 /nfs/dbraw/zinc/35/48/14/569354814.db2.gz AHRALVYRIJHRTI-UHFFFAOYSA-N 0 3 402.542 4.600 40 0 HJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C1=O ZINC000009462831 569392908 /nfs/dbraw/zinc/39/29/08/569392908.db2.gz BSNNENDIYSJYIY-AQNXPRMDSA-N 0 3 424.909 4.761 40 0 HJABHN COC(=O)c1cccc2nc([C@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)oc21 ZINC000035446964 291275746 /nfs/dbraw/zinc/27/57/46/291275746.db2.gz DWYVWHMOLKXAHK-AWEZNQCLSA-N 0 3 404.388 4.623 40 0 biogenic,in-vitro HJABHN CC(C)Oc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044882533 519783190 /nfs/dbraw/zinc/78/31/90/519783190.db2.gz NCKINWCCLHQNOH-HXUWFJFHSA-N 0 3 400.950 4.656 40 0 HJABHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3C)n3c4ccccc4nc32)cc1 ZINC000040372445 524432859 /nfs/dbraw/zinc/43/28/59/524432859.db2.gz JBZVQVZCZMUJQT-QHCPKHFHSA-N 0 3 424.504 4.770 40 0 HJABHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccccc3C)n3c4ccccc4nc32)cc1 ZINC000040372443 524432896 /nfs/dbraw/zinc/43/28/96/524432896.db2.gz JBZVQVZCZMUJQT-HSZRJFAPSA-N 0 3 424.504 4.770 40 0 HJABHN COc1ccc(CCN[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1OC ZINC000408734510 557800883 /nfs/dbraw/zinc/80/08/83/557800883.db2.gz WFTRPJUDYWVNQX-QHCPKHFHSA-N 0 3 424.928 4.869 40 0 HJABHN N=C(Nc1cccc(Cl)c1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000009287029 557834286 /nfs/dbraw/zinc/83/42/86/557834286.db2.gz IAVXQHABXNDWEQ-UHFFFAOYSA-N 0 3 420.325 4.828 40 0 HJABHN [NH2+]=C(Nc1cccc(Cl)c1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1 ZINC000009287029 557834288 /nfs/dbraw/zinc/83/42/88/557834288.db2.gz IAVXQHABXNDWEQ-UHFFFAOYSA-N 0 3 420.325 4.828 40 0 HJABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c(Cl)c1 ZINC000020494083 558379544 /nfs/dbraw/zinc/37/95/44/558379544.db2.gz NWKFEXOYBNAULA-UHFFFAOYSA-N 0 3 400.906 4.755 40 0 HJABHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020495794 558380337 /nfs/dbraw/zinc/38/03/37/558380337.db2.gz RFHJGCFYKLXJTM-IBGZPJMESA-N 0 3 407.558 4.699 40 0 HJABHN c1ccc(COc2ccc3c(c2)Sc2ccccc2C(N2CCNCC2)=N3)cc1 ZINC000022051195 558459919 /nfs/dbraw/zinc/45/99/19/558459919.db2.gz XFJQVRTWUFPAFS-UHFFFAOYSA-N 0 3 401.535 4.714 40 0 in-vitro HJABHN COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000022074784 558462422 /nfs/dbraw/zinc/46/24/22/558462422.db2.gz LUVUUVGREHCYLJ-NRFANRHFSA-N 0 3 415.892 4.890 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Br)c(C)c3)CC2)c1 ZINC000039752512 558687079 /nfs/dbraw/zinc/68/70/79/558687079.db2.gz ZVTRSKCVLPLDTA-UHFFFAOYSA-N 0 3 401.348 4.917 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)c1 ZINC000039751032 558687133 /nfs/dbraw/zinc/68/71/33/558687133.db2.gz KTLHOPOCWRMBCD-UHFFFAOYSA-N 0 3 405.311 4.747 40 0 HJABHN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030944207 558746179 /nfs/dbraw/zinc/74/61/79/558746179.db2.gz IYYAKEZLNGMNJO-HSZRJFAPSA-N 0 3 402.513 4.944 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000100984829 558824606 /nfs/dbraw/zinc/82/46/06/558824606.db2.gz LWGQZJYYCUEDKM-SDHSZQHLSA-N 0 3 420.468 4.891 40 0 HJABHN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000019021122 558837908 /nfs/dbraw/zinc/83/79/08/558837908.db2.gz STKDHZBNCHJASK-UHFFFAOYSA-N 0 3 410.533 4.775 40 0 HJABHN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(Cc2ccccn2)C1 ZINC000019449566 558888008 /nfs/dbraw/zinc/88/80/08/558888008.db2.gz WXRSGCCTDRYSMQ-RUZDIDTESA-N 0 3 419.594 4.770 40 0 HJABHN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4cccnc4)C3)cc2n1 ZINC000019452284 558890146 /nfs/dbraw/zinc/89/01/46/558890146.db2.gz IPERPZIYARYTCB-MRXNPFEDSA-N 0 3 403.452 4.646 40 0 HJABHN O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000072330463 558934749 /nfs/dbraw/zinc/93/47/49/558934749.db2.gz DEONCXUXOAKGMU-NVQXNPDNSA-N 0 3 417.528 4.533 40 0 HJABHN CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(CCc3ccccc3)CC2)o1 ZINC000072344940 558941345 /nfs/dbraw/zinc/94/13/45/558941345.db2.gz KUVUHJIVFFPDKK-QFIPXVFZSA-N 0 3 424.589 4.591 40 0 HJABHN Cn1cc(CN2CCC[C@@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)cn1 ZINC000072349993 558946950 /nfs/dbraw/zinc/94/69/50/558946950.db2.gz RXFSJXRKCKEWKL-LJQANCHMSA-N 0 3 414.475 4.804 40 0 HJABHN CC(=O)Nc1ccc(CN2CCC(c3cncc(-c4ccccc4C)n3)CC2)cc1 ZINC000072359717 558955367 /nfs/dbraw/zinc/95/53/67/558955367.db2.gz FSKPXVWCANWAPS-UHFFFAOYSA-N 0 3 400.526 4.790 40 0 HJABHN Cc1nn(C(C)C)c(C)c1CN1CCC(c2cc(-c3cncnc3)cc(C)n2)CC1 ZINC000019692140 558961811 /nfs/dbraw/zinc/96/18/11/558961811.db2.gz CFKWAVRMWCPSGM-UHFFFAOYSA-N 0 3 404.562 4.621 40 0 HJABHN COc1ccc(C)cc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000072391123 558971146 /nfs/dbraw/zinc/97/11/46/558971146.db2.gz CVPFYPKQMVNGKF-HSZRJFAPSA-N 0 3 409.574 4.514 40 0 HJABHN COc1cc(C)c(CN2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000072398604 558976001 /nfs/dbraw/zinc/97/60/01/558976001.db2.gz WWQFYTGAMRRHEE-RDPSFJRHSA-N 0 3 423.601 4.823 40 0 HJABHN Fc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cc1 ZINC000096038322 559091881 /nfs/dbraw/zinc/09/18/81/559091881.db2.gz VFLNBHZCEIRSPJ-UHFFFAOYSA-N 0 3 401.489 4.992 40 0 HJABHN COc1cccc(-c2ccc3nc(C4CCN(Cc5ccc(F)cc5)CC4)nn3c2)c1 ZINC000096038225 559091961 /nfs/dbraw/zinc/09/19/61/559091961.db2.gz IFEROYYQUPCULV-UHFFFAOYSA-N 0 3 416.500 4.924 40 0 HJABHN O=C(C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053100 559092968 /nfs/dbraw/zinc/09/29/68/559092968.db2.gz SHIPHFVJJGWJPX-NRFANRHFSA-N 0 3 422.544 4.643 40 0 HJABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053461 559093440 /nfs/dbraw/zinc/09/34/40/559093440.db2.gz CDGACEMIRWHYIY-IBGZPJMESA-N 0 3 412.599 4.908 40 0 HJABHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000100565906 559136633 /nfs/dbraw/zinc/13/66/33/559136633.db2.gz GOYZKYVQWGNNAH-ACRUOGEOSA-N 0 3 422.843 4.530 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102706086 559152065 /nfs/dbraw/zinc/15/20/65/559152065.db2.gz UTTZDGLCMGGDLF-ACRUOGEOSA-N 0 3 422.843 4.530 40 0 HJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@H](Cc2cccc3ncccc23)C1 ZINC000257268614 559285044 /nfs/dbraw/zinc/28/50/44/559285044.db2.gz MMKRIWMTTDJRPV-OAQYLSRUSA-N 0 3 413.565 4.926 40 0 HJABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1)NC12CC3CC(CC(C3)C1)C2 ZINC000004883332 560614821 /nfs/dbraw/zinc/61/48/21/560614821.db2.gz GABXTSZTXMEAEK-UKBGNOBASA-N 0 3 413.631 4.902 40 0 HJABHN Cc1cccc(OCc2nnc(SCCN3CCCC3)n2CCc2ccccc2)c1 ZINC000004936924 560615840 /nfs/dbraw/zinc/61/58/40/560615840.db2.gz HURWNQZKUOSVNW-UHFFFAOYSA-N 0 3 422.598 4.596 40 0 HJABHN Cc1cc(-c2cnc(NC3CCN(Cc4ccccc4)CC3)nc2C(C)(C)C)on1 ZINC000057761357 568496798 /nfs/dbraw/zinc/49/67/98/568496798.db2.gz ZWBBKXYCMPJFSA-UHFFFAOYSA-N 0 3 405.546 4.814 40 0 HJABHN Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1Cl ZINC000222859057 568528707 /nfs/dbraw/zinc/52/87/07/568528707.db2.gz YBYFFKSNAIADES-INIZCTEOSA-N 0 3 402.922 4.527 40 0 HJABHN O=C(NCCOc1ccc2ccccc2c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000223637714 568554372 /nfs/dbraw/zinc/55/43/72/568554372.db2.gz UBXGJKPQTQIBBR-QFIPXVFZSA-N 0 3 422.956 4.900 40 0 HJABHN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000224194830 568573255 /nfs/dbraw/zinc/57/32/55/568573255.db2.gz MYPNZDDRULSPKZ-XZOQPEGZSA-N 0 3 411.534 4.753 40 0 HJABHN CC(C)Sc1nnc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)s1 ZINC000224232168 568574661 /nfs/dbraw/zinc/57/46/61/568574661.db2.gz UVKCZRMXVLYPCM-UHFFFAOYSA-N 0 3 424.595 4.849 40 0 HJABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC(C)CC1 ZINC000225668541 568662245 /nfs/dbraw/zinc/66/22/45/568662245.db2.gz SVCOJLNRHILTSY-UHFFFAOYSA-N 0 3 402.579 4.865 40 0 HJABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319432 568810342 /nfs/dbraw/zinc/81/03/42/568810342.db2.gz VSNFKOHYEHFZON-LJQANCHMSA-N 0 3 417.557 4.593 40 0 HJABHN C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@H]3CN2C1 ZINC000252461639 569286834 /nfs/dbraw/zinc/28/68/34/569286834.db2.gz NEMWYOKGHGSVSC-PMIGCPTASA-N 0 3 415.662 4.563 40 0 biogenic HJABHN COc1cc(C)c(CN2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000019567292 569345665 /nfs/dbraw/zinc/34/56/65/569345665.db2.gz WWQFYTGAMRRHEE-HYBUGGRVSA-N 0 3 423.601 4.823 40 0 HJABHN COCCN1CC=CCC2(CCN(Cc3cccc(-c4ccc(F)cc4)c3)CC2)C1=O ZINC000019742620 569429499 /nfs/dbraw/zinc/42/94/99/569429499.db2.gz MNUBJXILQJDVFM-UHFFFAOYSA-N 0 3 422.544 4.510 40 0 HJABHN Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(OC(F)(F)F)cc4)C3)o2)cc1 ZINC000049169886 291279576 /nfs/dbraw/zinc/27/95/76/291279576.db2.gz GOSJBPRUNRYIKR-KRWDZBQOSA-N 0 3 403.404 4.933 40 0 biogenic,in-vitro HJABHN CC(C)Oc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044882536 519783224 /nfs/dbraw/zinc/78/32/24/519783224.db2.gz NCKINWCCLHQNOH-FQEVSTJZSA-N 0 3 400.950 4.656 40 0 HJABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856870 522782721 /nfs/dbraw/zinc/78/27/21/522782721.db2.gz RWBRMFMGDAOTME-JOCHJYFZSA-N 0 3 410.558 4.817 40 0 HJABHN O=C(CCc1ccco1)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000045211287 526620449 /nfs/dbraw/zinc/62/04/49/526620449.db2.gz SQSMBCLFXHSESJ-UHFFFAOYSA-N 0 3 400.950 4.568 40 0 HJABHN O=C(OCCN(CCOC(=O)c1ccccc1)CCC1CCCCC1)c1ccccc1 ZINC000004747909 557592295 /nfs/dbraw/zinc/59/22/95/557592295.db2.gz ASXRGXUDVJKJSB-UHFFFAOYSA-N 0 3 423.553 4.973 40 0 HJABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000012329399 558383982 /nfs/dbraw/zinc/38/39/82/558383982.db2.gz XSZJQOXYYOOJBR-JWQCQUIFSA-N 0 3 415.533 4.738 40 0 HJABHN COc1ccc(-c2ccc(CNCCc3ccc(OC)c(OC)c3)o2)cc1Cl ZINC000022076924 558462805 /nfs/dbraw/zinc/46/28/05/558462805.db2.gz IASPLXYGQFSDHR-UHFFFAOYSA-N 0 3 401.890 4.958 40 0 HJABHN Cc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000013711851 558576286 /nfs/dbraw/zinc/57/62/86/558576286.db2.gz CZNJUCWEUUULRC-FSSWDIPSSA-N 0 3 418.880 4.700 40 0 HJABHN O=C(NCCSCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848545 558818363 /nfs/dbraw/zinc/81/83/63/558818363.db2.gz JDTGIFPLIHJTAG-IBGZPJMESA-N 0 3 420.981 4.741 40 0 HJABHN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000101083380 558826861 /nfs/dbraw/zinc/82/68/61/558826861.db2.gz HKJYIXSCILEBFO-OTWHNJEPSA-N 0 3 419.308 4.862 40 0 HJABHN CCCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C2ON1c1ccccc1 ZINC000101083380 558826865 /nfs/dbraw/zinc/82/68/65/558826865.db2.gz HKJYIXSCILEBFO-OTWHNJEPSA-N 0 3 419.308 4.862 40 0 HJABHN COc1ccc(CN2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)c(C)c1C ZINC000019118664 558842600 /nfs/dbraw/zinc/84/26/00/558842600.db2.gz HSMBUFCXMFHDRE-UHFFFAOYSA-N 0 3 408.571 4.914 40 0 HJABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1C ZINC000019213481 558849372 /nfs/dbraw/zinc/84/93/72/558849372.db2.gz GVXCQUCJRYYZLB-YADHBBJMSA-N 0 3 415.961 4.649 40 0 HJABHN CCCC[C@@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000013757643 558865417 /nfs/dbraw/zinc/86/54/17/558865417.db2.gz XMMKDNVRLXROGB-XXMUNEJQSA-N 0 3 410.489 4.721 40 0 HJABHN O=C(c1ccccc1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000019368943 558877689 /nfs/dbraw/zinc/87/76/89/558877689.db2.gz CSERHFHHMBDRNP-YPAWHYETSA-N 0 3 408.592 4.940 40 0 HJABHN O=C(c1ccccc1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019368940 558877751 /nfs/dbraw/zinc/87/77/51/558877751.db2.gz KBGCYSPYFFSAJA-YPAWHYETSA-N 0 3 408.592 4.940 40 0 HJABHN O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccsc2)C1 ZINC000019370920 558878986 /nfs/dbraw/zinc/87/89/86/558878986.db2.gz TWANSWJNDYJRDR-WIOPSUGQSA-N 0 3 419.594 4.845 40 0 HJABHN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2ccncc2)C1 ZINC000019449623 558888285 /nfs/dbraw/zinc/88/82/85/558888285.db2.gz XXCAYAVYCCBPKR-RUZDIDTESA-N 0 3 419.594 4.770 40 0 HJABHN COc1ccc(CN2CCC([C@@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)cc1 ZINC000019554950 558917965 /nfs/dbraw/zinc/91/79/65/558917965.db2.gz DGOMQHRNEYMSBI-AREMUKBSSA-N 0 3 421.585 4.740 40 0 HJABHN Cc1noc2nc(C3CCN(Cc4c[nH]nc4C(C)(C)C)CC3)cc(C(F)(F)F)c12 ZINC000019564992 558925017 /nfs/dbraw/zinc/92/50/17/558925017.db2.gz TWRAJQBPDNWKKK-UHFFFAOYSA-N 0 3 421.467 4.950 40 0 HJABHN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000072330502 558934768 /nfs/dbraw/zinc/93/47/68/558934768.db2.gz OTUMIUCTZRIJTC-YKSBVNFPSA-N 0 3 421.491 4.743 40 0 HJABHN Cn1cc(CN2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072349966 558946958 /nfs/dbraw/zinc/94/69/58/558946958.db2.gz HJYMUBYBIWVZGP-SFHVURJKSA-N 0 3 400.448 4.881 40 0 HJABHN CCn1cc(CN2CCC[C@@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1 ZINC000072354107 558951467 /nfs/dbraw/zinc/95/14/67/558951467.db2.gz CKMKWQJKWPNWBJ-HSZRJFAPSA-N 0 3 418.585 4.894 40 0 HJABHN CCn1cc(CN2CCC(c3cc(Cc4ccccc4OC)cc(C)n3)CC2)c(C)n1 ZINC000019691844 558961166 /nfs/dbraw/zinc/96/11/66/558961166.db2.gz AMTJFKXBTRJKJL-UHFFFAOYSA-N 0 3 418.585 4.894 40 0 HJABHN Cn1cc(CN2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)c2cc(F)ccc21 ZINC000072376095 558965149 /nfs/dbraw/zinc/96/51/49/558965149.db2.gz ZCXOZFQRXMMURS-KRWDZBQOSA-N 0 3 416.504 4.626 40 0 HJABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3c(C)noc3C)CC2)c2ccccc21 ZINC000096053039 559092897 /nfs/dbraw/zinc/09/28/97/559092897.db2.gz WCAZHLRUKNFRKH-HXUWFJFHSA-N 0 3 409.574 4.571 40 0 HJABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N2CCCC2)c2ccccc2O3)s1 ZINC000096053218 559093109 /nfs/dbraw/zinc/09/31/09/559093109.db2.gz FVMNEOFYOQXFAR-HXUWFJFHSA-N 0 3 424.610 4.970 40 0 HJABHN Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)s1 ZINC000096053426 559093393 /nfs/dbraw/zinc/09/33/93/559093393.db2.gz YURHYTKUHVLWJX-SFHVURJKSA-N 0 3 410.583 4.626 40 0 HJABHN Cn1cnc2c1cc(C1CCN(Cc3ccc(F)cc3)CC1)nc2-c1cccnc1 ZINC000096099948 559095188 /nfs/dbraw/zinc/09/51/88/559095188.db2.gz PWGWEMPCBFPNBG-UHFFFAOYSA-N 0 3 401.489 4.549 40 0 HJABHN Clc1ccc2ncc(-c3cccc([C@H]4CCCN(Cc5cccnc5)C4)n3)n2c1 ZINC000585263018 559111417 /nfs/dbraw/zinc/11/14/17/559111417.db2.gz VSPDOXKUEUSWPD-SFHVURJKSA-N 0 3 403.917 4.824 40 0 HJABHN COC1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CCN(C)CC2)CC1 ZINC000585263129 559111840 /nfs/dbraw/zinc/11/18/40/559111840.db2.gz NSCDLYUBQFNLDP-UHFFFAOYSA-N 0 3 420.597 4.682 40 0 HJABHN COc1cccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1OC ZINC000057774527 568497412 /nfs/dbraw/zinc/49/74/12/568497412.db2.gz HRWAJIMXHSTRPT-UHFFFAOYSA-N 0 3 419.447 4.979 40 0 HJABHN COC(=O)c1cn(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc12 ZINC000222639917 568521768 /nfs/dbraw/zinc/52/17/68/568521768.db2.gz WOCFWGHFMQDTGG-QGZVFWFLSA-N 0 3 410.901 4.634 40 0 HJABHN CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224837030 568599364 /nfs/dbraw/zinc/59/93/64/568599364.db2.gz CUMBWZQMYUSGEA-QFIPXVFZSA-N 0 3 400.950 4.800 40 0 HJABHN CN(C)c1cc([C@@H]2CCCN(Cc3ccccc3OCc3ccccn3)C2)ccn1 ZINC000257233004 568785555 /nfs/dbraw/zinc/78/55/55/568785555.db2.gz GNIFMUBSJALMLF-OAQYLSRUSA-N 0 3 402.542 4.501 40 0 HJABHN Oc1cccc2c1OC1(CCN(Cc3ccc4ncccc4c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257241027 568787761 /nfs/dbraw/zinc/78/77/61/568787761.db2.gz HWILCGWLUSLEPN-XUZZJYLKSA-N 0 3 416.521 4.835 40 0 HJABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(C)nc4)C3)c2)cc1 ZINC000257273169 568796526 /nfs/dbraw/zinc/79/65/26/568796526.db2.gz NFNGDVLAMMKGPH-HXUWFJFHSA-N 0 3 416.525 4.865 40 0 HJABHN Cn1cc(CN2CCC(c3cccc(Nc4cnccn4)n3)CC2)c2cc(F)ccc21 ZINC000257323005 568811283 /nfs/dbraw/zinc/81/12/83/568811283.db2.gz WIJNNCBHQZQDMN-UHFFFAOYSA-N 0 3 416.504 4.626 40 0 HJABHN Cc1nc(NC2CCCCC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329023059 568973350 /nfs/dbraw/zinc/97/33/50/568973350.db2.gz ORPRUROHWOQJNI-UHFFFAOYSA-N 0 3 406.452 4.991 40 0 HJABHN COc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000006306045 569009398 /nfs/dbraw/zinc/00/93/98/569009398.db2.gz IFXDKELIMFGTJX-QFIPXVFZSA-N 0 3 411.586 4.687 40 0 HJABHN CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1 ZINC000008783005 569390352 /nfs/dbraw/zinc/39/03/52/569390352.db2.gz WBTAFHCOUCNRDI-UHFFFAOYSA-N 0 3 402.922 4.524 40 0 HJABHN CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccccc6)nc5c4)nc3c2)CC1 ZINC000013652034 569398958 /nfs/dbraw/zinc/39/89/58/569398958.db2.gz SOUKAPYFWOYMNH-UHFFFAOYSA-N 0 3 408.509 4.525 40 0 HJABHN CN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccccc6)[nH]c5c4)nc3c2)CC1 ZINC000013652034 569398960 /nfs/dbraw/zinc/39/89/60/569398960.db2.gz SOUKAPYFWOYMNH-UHFFFAOYSA-N 0 3 408.509 4.525 40 0 HJABHN NC(=O)c1cccc(-c2ccc(C3CCN(Cc4ccnc5ccccc45)CC3)nc2)c1 ZINC000019689080 569428406 /nfs/dbraw/zinc/42/84/06/569428406.db2.gz BAVYLSLRRJZCDQ-UHFFFAOYSA-N 0 3 422.532 4.775 40 0 HJABHN COc1ccccc1/C=C/CN1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713469 569429056 /nfs/dbraw/zinc/42/90/56/569429056.db2.gz YEURJWITIQXTND-PPTRPJPMSA-N 0 3 422.544 4.592 40 0 HJABHN CC1(C)C[C@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918107 520551668 /nfs/dbraw/zinc/55/16/68/520551668.db2.gz DVBXOJVCDQKCPK-NQIIRXRSSA-N 0 3 412.961 4.971 40 0 HJABHN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352549 524032152 /nfs/dbraw/zinc/03/21/52/524032152.db2.gz UGMSADZRCSMSJC-SFHVURJKSA-N 0 3 416.550 4.536 40 0 HJABHN COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000044937308 525345693 /nfs/dbraw/zinc/34/56/93/525345693.db2.gz QAMHHBDEPVGGFB-DEOSSOPVSA-N 0 3 412.549 4.950 40 0 HJABHN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000044855704 525553454 /nfs/dbraw/zinc/55/34/54/525553454.db2.gz HJCPXZIHEVEYFU-JOCHJYFZSA-N 0 3 408.542 4.713 40 0 HJABHN CCOc1ccc(N(CCN(C)C)C(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001758903 557285445 /nfs/dbraw/zinc/28/54/45/557285445.db2.gz BWUYHRBYBIEZKA-UHFFFAOYSA-N 0 3 402.538 4.812 40 0 HJABHN C[C@H](CN1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000036719523 557850051 /nfs/dbraw/zinc/85/00/51/557850051.db2.gz AMPDDSIZYOYEQN-CBQOVEMMSA-N 0 3 420.582 4.525 40 0 HJABHN O=C(NCCSCc1cccc(Cl)c1)c1ccc(CN2CCCCC2)cc1 ZINC000010329555 557860438 /nfs/dbraw/zinc/86/04/38/557860438.db2.gz IDTCIVSIYQTEDN-UHFFFAOYSA-N 0 3 402.991 4.989 40 0 HJABHN O=C(NCCSCc1ccccc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000010333910 557860836 /nfs/dbraw/zinc/86/08/36/557860836.db2.gz GTOBJJYPJBYTGV-UHFFFAOYSA-N 0 3 402.991 4.989 40 0 HJABHN COc1ccc(CCN(Cc2c[nH]c3ccccc23)Cc2ccncc2)cc1OC ZINC000012118077 558329548 /nfs/dbraw/zinc/32/95/48/558329548.db2.gz GCIDDAJRMKHJPO-UHFFFAOYSA-N 0 3 401.510 4.825 40 0 HJABHN Cc1cccc(CN2CCC(C(=O)NCCCc3ccc(OC(C)C)cc3)CC2)c1 ZINC000039772877 558686302 /nfs/dbraw/zinc/68/63/02/558686302.db2.gz ASPKGEZDIOIYPV-UHFFFAOYSA-N 0 3 408.586 4.743 40 0 HJABHN O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030938562 558745153 /nfs/dbraw/zinc/74/51/53/558745153.db2.gz YBCRIHYJZRWQAI-AWEZNQCLSA-N 0 3 409.274 4.578 40 0 HJABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)CC1 ZINC000038756846 558814967 /nfs/dbraw/zinc/81/49/67/558814967.db2.gz FJRURYLSMUGYNI-UHFFFAOYSA-N 0 3 407.558 4.699 40 0 HJABHN Cc1ccccc1NC(=O)CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21 ZINC000039964030 558823056 /nfs/dbraw/zinc/82/30/56/558823056.db2.gz AMUFWIREXPBPSU-HSZRJFAPSA-N 0 3 424.504 4.504 40 0 HJABHN COc1ccccc1/C=C/CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081773 558839798 /nfs/dbraw/zinc/83/97/98/558839798.db2.gz MFADXOOQCKMLBA-KTOXQQQISA-N 0 3 421.585 4.719 40 0 HJABHN Cc1ccc(C2(CN3CCC(NC(=O)C4CCC(=O)CC4)CC3)CCCCC2)cc1 ZINC000019208537 558847583 /nfs/dbraw/zinc/84/75/83/558847583.db2.gz JDQNUCZWTKRTBY-UHFFFAOYSA-N 0 3 410.602 4.537 40 0 HJABHN O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293883 558865423 /nfs/dbraw/zinc/86/54/23/558865423.db2.gz MAIMAKIQOATCKX-VABKMULXSA-N 0 3 412.574 4.894 40 0 HJABHN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019347027 558873666 /nfs/dbraw/zinc/87/36/66/558873666.db2.gz RZKHVGLOGKBUMP-HXUWFJFHSA-N 0 3 418.541 4.665 40 0 HJABHN O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019370368 558878625 /nfs/dbraw/zinc/87/86/25/558878625.db2.gz DEONCXUXOAKGMU-BKMJKUGQSA-N 0 3 417.528 4.533 40 0 HJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000013804632 558883350 /nfs/dbraw/zinc/88/33/50/558883350.db2.gz IDGCKJXQNAKQSW-HJOGWXRNSA-N 0 3 412.489 4.609 40 0 HJABHN CC(C)Oc1ccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 ZINC000019450594 558888825 /nfs/dbraw/zinc/88/88/25/558888825.db2.gz LTUHUMMRPGRIHN-XMMPIXPASA-N 0 3 423.601 4.984 40 0 HJABHN CC(C)c1ccc(CN2CCC(c3cc(C(=O)NCc4cccnc4)on3)CC2)cc1 ZINC000019453192 558890755 /nfs/dbraw/zinc/89/07/55/558890755.db2.gz DKFKVTWRJYNJCO-UHFFFAOYSA-N 0 3 418.541 4.503 40 0 HJABHN COc1cc(C)c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1C ZINC000019567267 558926735 /nfs/dbraw/zinc/92/67/35/558926735.db2.gz RCEHUROTKZUMJL-XMMPIXPASA-N 0 3 423.601 4.823 40 0 HJABHN COc1ccc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)cc1 ZINC000019569121 558928337 /nfs/dbraw/zinc/92/83/37/558928337.db2.gz KNGZMASULAYUPQ-UHFFFAOYSA-N 0 3 405.420 4.938 40 0 HJABHN COc1cccc(CN[C@@H](Cc2cc(N(C)C)nc(C3CC3)n2)c2ccccc2)c1 ZINC000019584271 558938287 /nfs/dbraw/zinc/93/82/87/558938287.db2.gz SHSBWCGWVJZANV-QHCPKHFHSA-N 0 3 402.542 4.502 40 0 HJABHN CC(C)(C)c1cc2nc(C3CCN(Cc4ccccn4)CC3)cc(C(F)(F)F)n2n1 ZINC000072341088 558939575 /nfs/dbraw/zinc/93/95/75/558939575.db2.gz JVSMQNNTITWQOG-UHFFFAOYSA-N 0 3 417.479 4.820 40 0 HJABHN Cc1ccc(CN2CCC(c3nnc([C@H]4CCCCN4C(=O)CC(C)C)o3)CC2)cc1 ZINC000072344942 558941374 /nfs/dbraw/zinc/94/13/74/558941374.db2.gz MASOKFYGHLYZAC-JOCHJYFZSA-N 0 3 424.589 4.857 40 0 HJABHN Cn1cc(CN2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072349967 558946924 /nfs/dbraw/zinc/94/69/24/558946924.db2.gz HJYMUBYBIWVZGP-GOSISDBHSA-N 0 3 400.448 4.881 40 0 HJABHN Cc1cc(-c2cncnc2)cc([C@@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000019690997 558960485 /nfs/dbraw/zinc/96/04/85/558960485.db2.gz DCKCWDUIJIZUMN-QHCPKHFHSA-N 0 3 400.526 4.898 40 0 HJABHN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000072372694 558960641 /nfs/dbraw/zinc/96/06/41/558960641.db2.gz MFIXDYRVMWKUJR-QFIPXVFZSA-N 0 3 415.541 4.974 40 0 HJABHN COc1ccc(CN2CCC([C@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 ZINC000019698356 558965960 /nfs/dbraw/zinc/96/59/60/558965960.db2.gz LCYRKAUYLMMQPR-RUZDIDTESA-N 0 3 422.544 4.651 40 0 HJABHN COc1ccc(C)cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000072391122 558971133 /nfs/dbraw/zinc/97/11/33/558971133.db2.gz CVPFYPKQMVNGKF-QHCPKHFHSA-N 0 3 409.574 4.514 40 0 HJABHN Cn1cc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c2ccccc21 ZINC000072394590 558973508 /nfs/dbraw/zinc/97/35/08/558973508.db2.gz ULMVAMLVVYGRTH-OAQYLSRUSA-N 0 3 424.614 4.750 40 0 HJABHN COc1ccccc1-c1ccccc1CN(C)Cc1ccccc1N1CCOCC1 ZINC000019714575 558974619 /nfs/dbraw/zinc/97/46/19/558974619.db2.gz KNCSWWCEMBBQTC-UHFFFAOYSA-N 0 3 402.538 4.831 40 0 HJABHN Cc1nccn1CC1CCN(Cc2c(-c3ccc(F)cc3)nc3ccccn32)CC1 ZINC000019715781 558976982 /nfs/dbraw/zinc/97/69/82/558976982.db2.gz RTSREVNBLUZCMA-UHFFFAOYSA-N 0 3 403.505 4.558 40 0 HJABHN Cc1nccn1C[C@@H]1CCCN(Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715785 558977075 /nfs/dbraw/zinc/97/70/75/558977075.db2.gz BGOCFRHOGMYJJV-QGZVFWFLSA-N 0 3 409.534 4.619 40 0 HJABHN COc1ccc(CN2CCC[C@@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1 ZINC000585289455 559122394 /nfs/dbraw/zinc/12/23/94/559122394.db2.gz GVMPUAYGMGQJAJ-MRXNPFEDSA-N 0 3 418.419 4.539 40 0 HJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@H](Cc2cccc3cccnc32)C1 ZINC000257281252 559285282 /nfs/dbraw/zinc/28/52/82/559285282.db2.gz OOHZBGBYKKOHPS-OAQYLSRUSA-N 0 3 413.565 4.926 40 0 HJABHN Clc1ccc(-c2nsc3c2ncnc3N2CCN(C3CCCCC3)CC2)cc1 ZINC000004895013 560615663 /nfs/dbraw/zinc/61/56/63/560615663.db2.gz TYHUYSWEQCQJFJ-UHFFFAOYSA-N 0 3 413.978 4.861 40 0 HJABHN Cc1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl ZINC000224181029 568572873 /nfs/dbraw/zinc/57/28/73/568572873.db2.gz GNMKGWOGKPEPTB-GOSISDBHSA-N 0 3 421.368 4.709 40 0 HJABHN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836928 568599319 /nfs/dbraw/zinc/59/93/19/568599319.db2.gz FPKUJEPGQBJETA-NRFANRHFSA-N 0 3 400.950 4.800 40 0 HJABHN Cc1c2ccccc2oc1-c1nnc2sc(CCN(C)Cc3ccccc3)nn21 ZINC000096194449 568703946 /nfs/dbraw/zinc/70/39/46/568703946.db2.gz ACZPIRBGKWZZHR-UHFFFAOYSA-N 0 3 403.511 4.582 40 0 HJABHN CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)C1CCCCC1 ZINC000257227121 568784214 /nfs/dbraw/zinc/78/42/14/568784214.db2.gz FNUHHFPIJJFIAV-LJQANCHMSA-N 0 3 420.557 4.940 40 0 HJABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCCC4)on3)C2)c1 ZINC000257255606 568791968 /nfs/dbraw/zinc/79/19/68/568791968.db2.gz KIDYRXDOTZEQGB-LJQANCHMSA-N 0 3 411.546 4.515 40 0 HJABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 ZINC000257277612 568797658 /nfs/dbraw/zinc/79/76/58/568797658.db2.gz NYSOWCJRIJGYNO-QGZVFWFLSA-N 0 3 401.535 4.799 40 0 HJABHN Cc1nc(Nc2cc(C)nc([C@@H]3CCCN(Cc4cnn(C)c4C)C3)c2)sc1C ZINC000257303615 568805479 /nfs/dbraw/zinc/80/54/79/568805479.db2.gz SHYFAIWMPJRYPW-GOSISDBHSA-N 0 3 410.591 4.628 40 0 HJABHN C[C@@H]1CCCC[C@H]1N1C(=O)C(CC(=O)Nc2ccccc2)n2c3ccccc3nc21 ZINC000248074436 569316109 /nfs/dbraw/zinc/31/61/09/569316109.db2.gz ARQJGEPDWWYSNZ-BSIFCXSSSA-N 0 3 402.498 4.532 40 0 HJABHN CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009062740 569342252 /nfs/dbraw/zinc/34/22/52/569342252.db2.gz URYBLEJRERKQNI-UHFFFAOYSA-N 0 3 412.549 4.574 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCSCc3cccc(Cl)c3)CC2)cc1 ZINC000009063113 569342383 /nfs/dbraw/zinc/34/23/83/569342383.db2.gz DMGZCISCNGOYQT-UHFFFAOYSA-N 0 3 417.018 4.910 40 0 HJABHN CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009063642 569342431 /nfs/dbraw/zinc/34/24/31/569342431.db2.gz BGWNXQBTJQKHLM-UHFFFAOYSA-N 0 3 412.505 4.633 40 0 HJABHN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044855364 569352023 /nfs/dbraw/zinc/35/20/23/569352023.db2.gz DXYWFGYPDCIKGT-SIKLNZKXSA-N 0 3 410.533 4.765 40 0 HJABHN CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000044851378 520946785 /nfs/dbraw/zinc/94/67/85/520946785.db2.gz CWKGPUWWWGWFCJ-OAQYLSRUSA-N 0 3 414.977 4.700 40 0 HJABHN COc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccc(C)cc3)CC1)CC(C)(C)O2 ZINC000044855521 525585269 /nfs/dbraw/zinc/58/52/69/525585269.db2.gz RGTCKNQKUFYXNX-HSZRJFAPSA-N 0 3 422.569 4.634 40 0 HJABHN COc1cc(/C=C/C2=CCN(C)CC2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000012143031 558335286 /nfs/dbraw/zinc/33/52/86/558335286.db2.gz AFNHDJKVHVAVHV-VOTSOKGWSA-N 0 3 412.917 4.641 40 0 HJABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000012329412 558384297 /nfs/dbraw/zinc/38/42/97/558384297.db2.gz XSZJQOXYYOOJBR-LOSJGSFVSA-N 0 3 415.533 4.738 40 0 HJABHN COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)N3Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000012345291 558386447 /nfs/dbraw/zinc/38/64/47/558386447.db2.gz GOZPOKXFWDLVIB-KEVCNVLYSA-N 0 3 411.542 4.506 40 0 HJABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(C(C)C)cc1 ZINC000020798502 558414931 /nfs/dbraw/zinc/41/49/31/558414931.db2.gz QZGCZIANXBCSJM-OAQYLSRUSA-N 0 3 420.509 4.639 40 0 HJABHN COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022075774 558462687 /nfs/dbraw/zinc/46/26/87/558462687.db2.gz YYNVTURTKYILPY-NRFANRHFSA-N 0 3 415.892 4.890 40 0 HJABHN Clc1ccc(COc2ccc(Br)cc2CNC[C@@H]2CCCO2)cc1 ZINC000016401773 558790201 /nfs/dbraw/zinc/79/02/01/558790201.db2.gz CAPYPTYHWAKBQX-SFHVURJKSA-N 0 3 410.739 4.950 40 0 HJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c(C)c1 ZINC000101029044 558825284 /nfs/dbraw/zinc/82/52/84/558825284.db2.gz GGXVKOKJHJWILE-BVSLBCMMSA-N 0 3 418.518 4.724 40 0 HJABHN CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccc(F)c3)CC[C@H]21 ZINC000019081632 558839850 /nfs/dbraw/zinc/83/98/50/558839850.db2.gz XRRQNQSLKRJXTB-NJDAHSKKSA-N 0 3 400.563 4.750 40 0 HJABHN Cc1ccc(-c2ccccc2CC2(C(=O)NC3CCN(C)CC3)CCOCC2)c(C)c1 ZINC000019132871 558845597 /nfs/dbraw/zinc/84/55/97/558845597.db2.gz CKZSKTABDOJKAX-UHFFFAOYSA-N 0 3 420.597 4.520 40 0 HJABHN COc1c(C)cccc1CN1CCC([C@H](NC(=O)CC(C)C)c2ccccn2)CC1 ZINC000019235927 558854933 /nfs/dbraw/zinc/85/49/33/558854933.db2.gz SBSYOISJZAMVLC-DEOSSOPVSA-N 0 3 409.574 4.514 40 0 HJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000013688092 558855187 /nfs/dbraw/zinc/85/51/87/558855187.db2.gz LWGQZJYYCUEDKM-SDHOMARFSA-N 0 3 420.468 4.891 40 0 HJABHN CCCC[C@H](CC)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000013757644 558865412 /nfs/dbraw/zinc/86/54/12/558865412.db2.gz XMMKDNVRLXROGB-AEMJNJESSA-N 0 3 410.489 4.721 40 0 HJABHN O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccncc3)CC[C@H]21 ZINC000019405273 558884719 /nfs/dbraw/zinc/88/47/19/558884719.db2.gz BJATZIBLCOLEAD-DNVJHFABSA-N 0 3 409.599 4.540 40 0 HJABHN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)C1 ZINC000019449576 558888028 /nfs/dbraw/zinc/88/80/28/558888028.db2.gz SWKAUBCPIPOALM-MHZLTWQESA-N 0 3 413.565 4.708 40 0 HJABHN COc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)c1 ZINC000019565420 558925493 /nfs/dbraw/zinc/92/54/93/558925493.db2.gz DDAYYHGUZZGCHO-HJOGWXRNSA-N 0 3 424.610 4.763 40 0 HJABHN COc1ccccc1CN1CCC(c2noc3nc(C)cc(C(F)(F)F)c32)CC1 ZINC000019569127 558928302 /nfs/dbraw/zinc/92/83/02/558928302.db2.gz QBTXVYFBVYPPME-UHFFFAOYSA-N 0 3 405.420 4.938 40 0 HJABHN COc1ccccc1CN1CCC([C@H](NC(=O)c2cccs2)c2ccccn2)CC1 ZINC000019570117 558928873 /nfs/dbraw/zinc/92/88/73/558928873.db2.gz OZDLDOSNHMVPSK-QHCPKHFHSA-N 0 3 421.566 4.535 40 0 HJABHN COc1ccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(C)c1C ZINC000019577307 558933131 /nfs/dbraw/zinc/93/31/31/558933131.db2.gz DVERTLDTQPTTPZ-DEOSSOPVSA-N 0 3 423.601 4.823 40 0 HJABHN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1cccs1 ZINC000072330403 558934506 /nfs/dbraw/zinc/93/45/06/558934506.db2.gz MIDQHRPLLIVPRJ-AVRDEDQJSA-N 0 3 409.530 4.666 40 0 HJABHN Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000072353746 558950883 /nfs/dbraw/zinc/95/08/83/558950883.db2.gz ZBSXBZPEWDOMKB-HXUWFJFHSA-N 0 3 414.553 4.940 40 0 HJABHN COc1cc(C)c(CN2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000072398605 558975961 /nfs/dbraw/zinc/97/59/61/558975961.db2.gz WWQFYTGAMRRHEE-YKSBVNFPSA-N 0 3 423.601 4.823 40 0 HJABHN Cc1cc(Nc2ncccn2)cc(C2CCN(Cc3ccnc4ccccc34)CC2)n1 ZINC000585176604 559069549 /nfs/dbraw/zinc/06/95/49/559069549.db2.gz SBIDIDSOTWOZDS-UHFFFAOYSA-N 0 3 410.525 4.851 40 0 HJABHN O=C(C[C@@H]1CC2(CCN(Cc3cccs3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053085 559092879 /nfs/dbraw/zinc/09/28/79/559092879.db2.gz HSTPBLMEFNOWRZ-LJQANCHMSA-N 0 3 410.583 4.565 40 0 HJABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)s1 ZINC000096053320 559093195 /nfs/dbraw/zinc/09/31/95/559093195.db2.gz VCAXXYWGMVWZKC-LJQANCHMSA-N 0 3 412.599 4.872 40 0 HJABHN C[C@@]1(O)CCN(CC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289667 560032107 /nfs/dbraw/zinc/03/21/07/560032107.db2.gz AUPYOJWKCSUGPI-QNWVGRARSA-N 0 3 404.620 4.501 40 0 biogenic,in-vitro HJABHN CCCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)CC1 ZINC000004980544 560622936 /nfs/dbraw/zinc/62/29/36/560622936.db2.gz ABSPPVVUSIUFAB-UHFFFAOYSA-N 0 3 415.516 4.734 40 0 HJABHN Cc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C1=O ZINC000005047015 568431762 /nfs/dbraw/zinc/43/17/62/568431762.db2.gz FSNRYIANYKCYPE-BDTNDASRSA-N 0 3 418.880 4.700 40 0 HJABHN COC(=O)c1cn(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc12 ZINC000222571180 568518793 /nfs/dbraw/zinc/51/87/93/568518793.db2.gz CPNLXXVNHJHMMK-UHFFFAOYSA-N 0 3 424.500 4.675 40 0 HJABHN O=C(NCCOc1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223414816 568548166 /nfs/dbraw/zinc/54/81/66/568548166.db2.gz WKBZXEYZYWJKQK-UHFFFAOYSA-N 0 3 420.940 4.707 40 0 HJABHN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000224423665 568580899 /nfs/dbraw/zinc/58/08/99/568580899.db2.gz YSPIURSTILCELQ-FCHUYYIVSA-N 0 3 415.497 4.584 40 0 HJABHN O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(CN2CCCC2)cc1 ZINC000224982029 568607349 /nfs/dbraw/zinc/60/73/49/568607349.db2.gz MGNLBOSXXRWPMB-UHFFFAOYSA-N 0 3 410.568 4.679 40 0 HJABHN COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCC2)cc1 ZINC000225531343 568647993 /nfs/dbraw/zinc/64/79/93/568647993.db2.gz LTZWBEPJKFXDEL-UHFFFAOYSA-N 0 3 408.542 4.620 40 0 HJABHN Cc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)cc1Cl ZINC000225772444 568673344 /nfs/dbraw/zinc/67/33/44/568673344.db2.gz UQBFECFOBWGOEB-UHFFFAOYSA-N 0 3 403.979 4.608 40 0 HJABHN CCOc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257222081 568782452 /nfs/dbraw/zinc/78/24/52/568782452.db2.gz DRUWDVFPQUTCFQ-IBGZPJMESA-N 0 3 411.546 4.515 40 0 HJABHN Cc1ccc(CN2CCC(C(=O)NCCSCc3ccccc3Cl)CC2)cc1 ZINC000009063112 569342325 /nfs/dbraw/zinc/34/23/25/569342325.db2.gz SGJQCCZUOWCKCL-UHFFFAOYSA-N 0 3 417.018 4.910 40 0 HJABHN Cc1cccc2c(C(=O)NC(C)(C)CN3CCCCC3)cc(-c3cccnc3)nc12 ZINC000141550356 569354778 /nfs/dbraw/zinc/35/47/78/569354778.db2.gz HNNUIPXFKIDORB-UHFFFAOYSA-N 0 3 402.542 4.600 40 0 HJABHN