smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1CCN(c2ccc(CNC(=O)c3cn(Cc4ccccn4)nn3)cc2)CC1 ZINC001626090814 1073668010 /nfs/dbraw/zinc/66/80/10/1073668010.db2.gz XXHQVPRRAKZEMZ-UHFFFAOYSA-N 0 0 419.489 1.353 20 10 HDCDRN CCN(CC1CC1)S(=O)(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000766075779 1074581361 /nfs/dbraw/zinc/58/13/61/1074581361.db2.gz DNBQFYVTIZOHEQ-UHFFFAOYSA-N 0 0 413.540 1.811 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)cc1F ZINC000731345457 1075311539 /nfs/dbraw/zinc/31/15/39/1075311539.db2.gz WKBIYGRKDHBYEV-UHFFFAOYSA-N 0 0 415.469 1.491 20 10 HDCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000731356865 1075319749 /nfs/dbraw/zinc/31/97/49/1075319749.db2.gz XICJYNGHSNWVKC-UHFFFAOYSA-N 0 0 415.512 1.798 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000731406522 1075332296 /nfs/dbraw/zinc/33/22/96/1075332296.db2.gz NKJZOOWIBHWUAJ-UHFFFAOYSA-N 0 0 423.473 1.522 20 10 HDCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000731406609 1075332343 /nfs/dbraw/zinc/33/23/43/1075332343.db2.gz MUDOMFYTKMNXBN-MRXNPFEDSA-N 0 0 418.471 1.600 20 10 HDCDRN CS(=O)(=O)Nc1ccc(NC(=O)C2=CC=S=C2NC(=O)c2ccco2)cc1 ZINC000731471012 1075358915 /nfs/dbraw/zinc/35/89/15/1075358915.db2.gz PGDAWWNCWKKNOT-UHFFFAOYSA-N 0 0 405.457 1.625 20 10 HDCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCCNC(=O)C(C)(C)C)CC2)cc1 ZINC000804097222 1075397886 /nfs/dbraw/zinc/39/78/86/1075397886.db2.gz NEZQAHOPWUKSLE-UHFFFAOYSA-N 0 0 404.511 1.012 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCOC[C@@H]3CCOC3)cc2)C1 ZINC000731686857 1075450237 /nfs/dbraw/zinc/45/02/37/1075450237.db2.gz CEPNVXLWGNKKET-QZTJIDSGSA-N 0 0 404.511 1.241 20 10 HDCDRN C[C@@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000731683607 1075468309 /nfs/dbraw/zinc/46/83/09/1075468309.db2.gz GPFPLEGZRXMTMX-MRXNPFEDSA-N 0 0 424.567 1.603 20 10 HDCDRN CCS(=O)(=O)NCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000731691476 1075473147 /nfs/dbraw/zinc/47/31/47/1075473147.db2.gz YSZLNEXDDCWLNP-UHFFFAOYSA-N 0 0 402.428 1.140 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1cc3c([nH]c1=O)CCCC3)cc2=O ZINC000731739457 1075488760 /nfs/dbraw/zinc/48/87/60/1075488760.db2.gz LVDGKHVLIQTESN-UHFFFAOYSA-N 0 0 412.402 1.948 20 10 HDCDRN CC(C)(C)NS(=O)(=O)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000731808342 1075527014 /nfs/dbraw/zinc/52/70/14/1075527014.db2.gz ROGJRVXKYRAXAF-UHFFFAOYSA-N 0 0 401.504 1.121 20 10 HDCDRN C[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O ZINC000731856104 1075538537 /nfs/dbraw/zinc/53/85/37/1075538537.db2.gz JUYNISVSYNIWRW-HRAATJIYSA-N 0 0 401.463 1.620 20 10 HDCDRN COc1ccc(N2CCN(CCN3C(=O)N[C@@H](CCOC(C)(C)C)C3=O)CC2)cc1 ZINC000804150784 1075552519 /nfs/dbraw/zinc/55/25/19/1075552519.db2.gz MMBWUUSLVLSVAC-IBGZPJMESA-N 0 0 418.538 1.943 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000731907311 1075565458 /nfs/dbraw/zinc/56/54/58/1075565458.db2.gz CQVMVOPNTKNORM-UHFFFAOYSA-N 0 0 416.478 1.023 20 10 HDCDRN O=C(CCCCN1CCOCC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000732060158 1075598262 /nfs/dbraw/zinc/59/82/62/1075598262.db2.gz ODMGDMOPYZHECB-UHFFFAOYSA-N 0 0 409.552 1.040 20 10 HDCDRN C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732200924 1075674230 /nfs/dbraw/zinc/67/42/30/1075674230.db2.gz VDXROZAZGXMXMI-ZIAGYGMSSA-N 0 0 405.454 1.986 20 10 HDCDRN O=C(CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732201787 1075674657 /nfs/dbraw/zinc/67/46/57/1075674657.db2.gz NUVWZJWJSVWTNA-SJLPKXTDSA-N 0 0 419.419 1.666 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCN(C(N)=O)CC3)cc2F)C[C@@H](C)O1 ZINC000732408566 1075736457 /nfs/dbraw/zinc/73/64/57/1075736457.db2.gz LXMYOMFXKARDAL-HZPDHXFCSA-N 0 0 421.517 1.142 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@H]3C3OCCO3)cc2)C1 ZINC000732451594 1075742277 /nfs/dbraw/zinc/74/22/77/1075742277.db2.gz XHFPKQQSQBXJCX-MJGOQNOKSA-N 0 0 416.522 1.825 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@H]3C3OCCO3)cc2)C1 ZINC000732451592 1075742329 /nfs/dbraw/zinc/74/23/29/1075742329.db2.gz XHFPKQQSQBXJCX-HKUYNNGSSA-N 0 0 416.522 1.825 20 10 HDCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000732473986 1075756474 /nfs/dbraw/zinc/75/64/74/1075756474.db2.gz UQERZUCXZUNAAQ-HIFRSBDPSA-N 0 0 415.512 1.250 20 10 HDCDRN CCCN(Cc1ccccc1O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000732474651 1075756687 /nfs/dbraw/zinc/75/66/87/1075756687.db2.gz RXAUWDRCCYWPQY-QGZVFWFLSA-N 0 0 413.540 1.802 20 10 HDCDRN CN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732885111 1075891894 /nfs/dbraw/zinc/89/18/94/1075891894.db2.gz PIURBDRKIGNGIF-MRXNPFEDSA-N 0 0 414.428 1.828 20 10 HDCDRN CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000733097315 1075969082 /nfs/dbraw/zinc/96/90/82/1075969082.db2.gz LKIWRKVQFSQCIY-CQSZACIVSA-N 0 0 405.476 1.315 20 10 HDCDRN CN(CCN1CCCC1=O)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000733195984 1076001939 /nfs/dbraw/zinc/00/19/39/1076001939.db2.gz ZTEKBMYKRRWNDF-UHFFFAOYSA-N 0 0 405.454 1.955 20 10 HDCDRN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H](C)CS(=O)(=O)CC ZINC000733197304 1076003876 /nfs/dbraw/zinc/00/38/76/1076003876.db2.gz PBXUZLDFZNBZQM-QGZVFWFLSA-N 0 0 411.568 1.489 20 10 HDCDRN CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733217245 1076013962 /nfs/dbraw/zinc/01/39/62/1076013962.db2.gz IZPAHFHNWITNOP-QWQRMKEZSA-N 0 0 415.531 1.629 20 10 HDCDRN CNS(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000733300301 1076033402 /nfs/dbraw/zinc/03/34/02/1076033402.db2.gz LUYXSBCYGRFYMX-OAHLLOKOSA-N 0 0 404.488 1.842 20 10 HDCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=S)NCCNS(C)(=O)=O)cc1 ZINC000727079006 1076039643 /nfs/dbraw/zinc/03/96/43/1076039643.db2.gz RZRYNTRXZJWMIG-UHFFFAOYSA-N 0 0 410.565 1.772 20 10 HDCDRN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000727109696 1076046713 /nfs/dbraw/zinc/04/67/13/1076046713.db2.gz HYIKBLDZDILHDI-JOCHJYFZSA-N 0 0 423.513 1.944 20 10 HDCDRN CO[C@@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000733355146 1076050409 /nfs/dbraw/zinc/05/04/09/1076050409.db2.gz NFBGWUMZXPRVHV-HIFRSBDPSA-N 0 0 402.417 1.765 20 10 HDCDRN COc1ccc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1OC ZINC000727176990 1076070203 /nfs/dbraw/zinc/07/02/03/1076070203.db2.gz ABSWKOKMYNQEKZ-LCYFTJDESA-N 0 0 402.519 1.454 20 10 HDCDRN Cc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CC2 ZINC000727225628 1076084410 /nfs/dbraw/zinc/08/44/10/1076084410.db2.gz HLPHPCZVCZTDMY-IRXDYDNUSA-N 0 0 411.510 1.102 20 10 HDCDRN Cc1nn(C)cc1C(=O)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733608506 1076125444 /nfs/dbraw/zinc/12/54/44/1076125444.db2.gz LEMXKIPDVFGFDS-KBPBESRZSA-N 0 0 418.469 1.954 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)CC(=O)Nc1cc(F)cc(F)c1)cc2=O ZINC000727434392 1076128944 /nfs/dbraw/zinc/12/89/44/1076128944.db2.gz ISTUTHADFMQCCD-UHFFFAOYSA-N 0 0 419.388 1.960 20 10 HDCDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000733645064 1076138439 /nfs/dbraw/zinc/13/84/39/1076138439.db2.gz DNUPBNPYAUMIHB-GOSISDBHSA-N 0 0 410.540 1.387 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCc2nnc3n2CCCCC3)c1 ZINC000727488378 1076142696 /nfs/dbraw/zinc/14/26/96/1076142696.db2.gz RVGFHJQNSBBRSH-UHFFFAOYSA-N 0 0 407.496 1.444 20 10 HDCDRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cccc(OC)c3O)C2=O)cc1 ZINC000727761273 1076217310 /nfs/dbraw/zinc/21/73/10/1076217310.db2.gz RVBAKBWLDWCVFP-NRFANRHFSA-N 0 0 413.430 1.493 20 10 HDCDRN COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)c1O ZINC000727761384 1076217334 /nfs/dbraw/zinc/21/73/34/1076217334.db2.gz ZLWJNVQZVIZOCG-UHFFFAOYSA-N 0 0 406.460 1.588 20 10 HDCDRN COc1cccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1O ZINC000727762219 1076217980 /nfs/dbraw/zinc/21/79/80/1076217980.db2.gz FFRFHGGPWPRTKH-INIZCTEOSA-N 0 0 420.487 1.788 20 10 HDCDRN O=C(COCC(=O)NCc1cccnc1)NCc1ccc(N2CCSCC2)cc1 ZINC000727768253 1076221332 /nfs/dbraw/zinc/22/13/32/1076221332.db2.gz YFJBUARTBGVGFM-UHFFFAOYSA-N 0 0 414.531 1.584 20 10 HDCDRN COc1ccc(N2CCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 ZINC000727753136 1076226471 /nfs/dbraw/zinc/22/64/71/1076226471.db2.gz ROFZIOPBKKOIMH-GOSISDBHSA-N 0 0 402.476 1.074 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3C[C@H](C(N)=O)Cc4ccccc43)CC2)cc1 ZINC000727759146 1076232029 /nfs/dbraw/zinc/23/20/29/1076232029.db2.gz PZNRJJYVMCLEBD-GOSISDBHSA-N 0 0 408.502 1.508 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3C[C@@H](C(N)=O)Cc4ccccc43)CC2)cc1 ZINC000727759148 1076232057 /nfs/dbraw/zinc/23/20/57/1076232057.db2.gz PZNRJJYVMCLEBD-SFHVURJKSA-N 0 0 408.502 1.508 20 10 HDCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 ZINC000733887529 1076250578 /nfs/dbraw/zinc/25/05/78/1076250578.db2.gz GOEGHLRGANEZFF-HNNXBMFYSA-N 0 0 416.503 1.069 20 10 HDCDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2cccc(Br)c2O)C1 ZINC000766199898 1076263315 /nfs/dbraw/zinc/26/33/15/1076263315.db2.gz KQLNSVQUSXOVBN-GFCCVEGCSA-N 0 0 421.313 1.764 20 10 HDCDRN O=S(=O)(NCc1cccc(Br)c1O)c1cnn([C@H]2CCOC2)c1 ZINC000766201184 1076264239 /nfs/dbraw/zinc/26/42/39/1076264239.db2.gz PDKJHZXPTVZTNJ-NSHDSACASA-N 0 0 402.270 1.791 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000727843584 1076269667 /nfs/dbraw/zinc/26/96/67/1076269667.db2.gz FJOCJCGKPUYTTG-INIZCTEOSA-N 0 0 400.527 1.920 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3cnn4ccc(C)nc34)CC2)cc1 ZINC000727929833 1076285977 /nfs/dbraw/zinc/28/59/77/1076285977.db2.gz SKMWKYIZAXIMAT-UHFFFAOYSA-N 0 0 409.446 1.552 20 10 HDCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)c1 ZINC000734060315 1076299912 /nfs/dbraw/zinc/29/99/12/1076299912.db2.gz VDOAWWCKXSUFPC-UHFFFAOYSA-N 0 0 414.462 1.993 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000734072629 1076301493 /nfs/dbraw/zinc/30/14/93/1076301493.db2.gz KVJUACBFFSPZQB-UHFFFAOYSA-N 0 0 419.459 1.096 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)c1 ZINC000734074494 1076302775 /nfs/dbraw/zinc/30/27/75/1076302775.db2.gz QBCRHRCEDMWDCS-UHFFFAOYSA-N 0 0 414.447 1.353 20 10 HDCDRN C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)CCS(C)(=O)=O ZINC000728054331 1076321756 /nfs/dbraw/zinc/32/17/56/1076321756.db2.gz HPYNHVDNWKTXFN-ZDUSSCGKSA-N 0 0 414.483 1.765 20 10 HDCDRN CNC(=O)C1(C(=O)O[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000730046762 1076420686 /nfs/dbraw/zinc/42/06/86/1076420686.db2.gz VOVHCBTVZSPDAW-GFCCVEGCSA-N 0 0 420.421 1.858 20 10 HDCDRN CNC(=O)C1(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCC1 ZINC000730049581 1076422593 /nfs/dbraw/zinc/42/25/93/1076422593.db2.gz XENSVEWYTACTAL-UHFFFAOYSA-N 0 0 420.421 1.860 20 10 HDCDRN C[C@H](NC(=O)N1CCN(Cc2cnn(C)c2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000730065914 1076433485 /nfs/dbraw/zinc/43/34/85/1076433485.db2.gz BOUBOYAPQOYRGB-SFHVURJKSA-N 0 0 412.538 1.845 20 10 HDCDRN CCCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000730316076 1076530743 /nfs/dbraw/zinc/53/07/43/1076530743.db2.gz HNOKDRVGKDXZDS-KRWDZBQOSA-N 0 0 407.536 1.956 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CSCCS(C)(=O)=O)cc2F)C[C@@H](C)O1 ZINC000730464971 1076579921 /nfs/dbraw/zinc/57/99/21/1076579921.db2.gz QKPAOWRAEBGVFZ-ZIAGYGMSSA-N 0 0 418.556 1.833 20 10 HDCDRN COCCN1C(=O)C(=CNCc2ccc(OC(F)F)c(OC)c2)C(=O)NC1=S ZINC000730971091 1076702102 /nfs/dbraw/zinc/70/21/02/1076702102.db2.gz KQQSOFHTOOILET-PKNBQFBNSA-N 0 0 415.418 1.160 20 10 HDCDRN CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000731047969 1076713712 /nfs/dbraw/zinc/71/37/12/1076713712.db2.gz AHXMAZLRUWQVOD-UHFFFAOYSA-N 0 0 401.555 1.886 20 10 HDCDRN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001626094825 1074086955 /nfs/dbraw/zinc/08/69/55/1074086955.db2.gz KUSRLVBDXXIAGU-ZWKOTPCHSA-N 0 0 416.522 1.918 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 ZINC000731474219 1075359664 /nfs/dbraw/zinc/35/96/64/1075359664.db2.gz NMXGIQDMEXDVEV-UHFFFAOYSA-N 0 0 400.479 1.549 20 10 HDCDRN C[C@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000731856106 1075538501 /nfs/dbraw/zinc/53/85/01/1075538501.db2.gz JUYNISVSYNIWRW-IIBYNOLFSA-N 0 0 401.463 1.620 20 10 HDCDRN CN(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)S(=O)(=O)c1cccnc1 ZINC000731859135 1075539864 /nfs/dbraw/zinc/53/98/64/1075539864.db2.gz SOOYIMTZTUDLBW-KRWDZBQOSA-N 0 0 419.503 1.616 20 10 HDCDRN CCCCN(C(=O)COC(=O)C1=CC(=O)CS1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000731910225 1075567291 /nfs/dbraw/zinc/56/72/91/1075567291.db2.gz PEOPMBUYQGWFAD-UHFFFAOYSA-N 0 0 424.479 1.698 20 10 HDCDRN O=C(COC(=O)C1=CC(=O)CS1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000731911509 1075567650 /nfs/dbraw/zinc/56/76/50/1075567650.db2.gz KJEWASBNEBTXLP-UHFFFAOYSA-N 0 0 423.472 1.720 20 10 HDCDRN NC(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1-c1ccccc1 ZINC000731975695 1075581217 /nfs/dbraw/zinc/58/12/17/1075581217.db2.gz NMFZSIXZZDGHSY-UHFFFAOYSA-N 0 0 423.448 1.877 20 10 HDCDRN CNC(=O)c1cncc(/C=C\C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000731977666 1075581692 /nfs/dbraw/zinc/58/16/92/1075581692.db2.gz PLHFPUAGKUCHQW-OTIVFRFGSA-N 0 0 421.501 1.473 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNc3cc(N4CCC[C@@H](CO)C4)ncn3)cc2)C1 ZINC000731981882 1075583174 /nfs/dbraw/zinc/58/31/74/1075583174.db2.gz GNKAWTJOVQJJPU-MOPGFXCFSA-N 0 0 424.549 1.999 20 10 HDCDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)C3=CC(=O)CS3)C2=O)cc1 ZINC000732353825 1075720512 /nfs/dbraw/zinc/72/05/12/1075720512.db2.gz ARILWAIGDOGMKW-GOSISDBHSA-N 0 0 419.415 1.118 20 10 HDCDRN O=C(COC(=O)C1=CC(=O)CS1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000732353414 1075720561 /nfs/dbraw/zinc/72/05/61/1075720561.db2.gz HLDRWQJCZPFWOS-NSHDSACASA-N 0 0 415.514 1.888 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(=O)N3CCOCC3)cc2F)C[C@H](C)O1 ZINC000732450197 1075740863 /nfs/dbraw/zinc/74/08/63/1075740863.db2.gz ORZHQNCOBSSFKD-IYBDPMFKSA-N 0 0 422.501 1.440 20 10 HDCDRN COc1ccc(N2CCN(C(=O)/C=C/C(=O)NC3(CCO)CCCC3)CC2)cc1 ZINC000804252776 1075806903 /nfs/dbraw/zinc/80/69/03/1075806903.db2.gz OZXMXJFGHSXYHO-CMDGGOBGSA-N 0 0 401.507 1.711 20 10 HDCDRN CC[C@]1(C(C)C)NC(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000732666815 1075825164 /nfs/dbraw/zinc/82/51/64/1075825164.db2.gz CKYDWNDFJXVHSH-OAQYLSRUSA-N 0 0 402.495 1.700 20 10 HDCDRN Cc1cc(C(=O)COC(=O)[C@@H](O)C(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000732715553 1075832012 /nfs/dbraw/zinc/83/20/12/1075832012.db2.gz HJFGGDNKAZQOFR-GOSISDBHSA-N 0 0 422.503 1.874 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000732835646 1075882726 /nfs/dbraw/zinc/88/27/26/1075882726.db2.gz NTTQGTLZZVMFKA-CQSZACIVSA-N 0 0 407.423 1.438 20 10 HDCDRN COc1ccc(N2CCN(CCCNC(=O)C3CCS(=O)(=O)CC3)CC2)cc1 ZINC000732933592 1075919506 /nfs/dbraw/zinc/91/95/06/1075919506.db2.gz CJGVIKPYACWFJN-UHFFFAOYSA-N 0 0 409.552 1.148 20 10 HDCDRN Cn1ncc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(Br)c1=O ZINC000732982046 1075937113 /nfs/dbraw/zinc/93/71/13/1075937113.db2.gz NNQCNOLSHKAQJO-ZDUSSCGKSA-N 0 0 420.311 1.857 20 10 HDCDRN COc1ccccc1N(Cc1ccccc1O)C(=S)NCCNS(C)(=O)=O ZINC000727067049 1076037353 /nfs/dbraw/zinc/03/73/53/1076037353.db2.gz DJXTYNSVKJSEMJ-UHFFFAOYSA-N 0 0 409.533 1.831 20 10 HDCDRN C[C@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(=O)C1CCCC1 ZINC000727102299 1076045154 /nfs/dbraw/zinc/04/51/54/1076045154.db2.gz YZUWBGOKDSNDEE-MRXNPFEDSA-N 0 0 421.563 1.623 20 10 HDCDRN COc1ccc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1OC ZINC000727176991 1076070274 /nfs/dbraw/zinc/07/02/74/1076070274.db2.gz ABSWKOKMYNQEKZ-UKTHLTGXSA-N 0 0 402.519 1.454 20 10 HDCDRN NC(=O)CN1C(=O)/C(=C\c2cc3c(c(Br)c2)OCO3)SC1=S ZINC000727176603 1076070432 /nfs/dbraw/zinc/07/04/32/1076070432.db2.gz VZASNIIZVVJGDO-YCRREMRBSA-N 0 0 401.263 1.864 20 10 HDCDRN Cc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CC2 ZINC000727225629 1076084305 /nfs/dbraw/zinc/08/43/05/1076084305.db2.gz HLPHPCZVCZTDMY-SJORKVTESA-N 0 0 411.510 1.102 20 10 HDCDRN Cc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N3CCC[C@@H](C(N)=O)C3)cc1)CC2 ZINC000727225627 1076084395 /nfs/dbraw/zinc/08/43/95/1076084395.db2.gz HLPHPCZVCZTDMY-IAGOWNOFSA-N 0 0 411.510 1.102 20 10 HDCDRN CCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727307700 1076092335 /nfs/dbraw/zinc/09/23/35/1076092335.db2.gz DNIHWETZCNLQEY-SJLPKXTDSA-N 0 0 418.563 1.706 20 10 HDCDRN O=C(CSC[C@H]1CCCCO1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000727371609 1076099734 /nfs/dbraw/zinc/09/97/34/1076099734.db2.gz OUWWGSGOPHZAQJ-GOSISDBHSA-N 0 0 412.577 1.840 20 10 HDCDRN Cc1cc(C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000733566814 1076105427 /nfs/dbraw/zinc/10/54/27/1076105427.db2.gz SGMNLEWJAKMWSN-UHFFFAOYSA-N 0 0 415.377 1.380 20 10 HDCDRN COC(=O)[C@H]1CCCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000727435696 1076119259 /nfs/dbraw/zinc/11/92/59/1076119259.db2.gz XPCISQOXJZQOCY-JZXOWHBKSA-N 0 0 421.513 1.941 20 10 HDCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c1 ZINC000733632209 1076134163 /nfs/dbraw/zinc/13/41/63/1076134163.db2.gz YAYYIUSESMMBHY-GFCCVEGCSA-N 0 0 400.435 1.889 20 10 HDCDRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cccc(OC)c3O)C2=O)cc1 ZINC000727761274 1076217342 /nfs/dbraw/zinc/21/73/42/1076217342.db2.gz RVBAKBWLDWCVFP-OAQYLSRUSA-N 0 0 413.430 1.493 20 10 HDCDRN COc1cccc(CNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1O ZINC000727762212 1076217750 /nfs/dbraw/zinc/21/77/50/1076217750.db2.gz CTWPPOHJJCMOFI-UHFFFAOYSA-N 0 0 402.451 1.290 20 10 HDCDRN CNC(=O)c1cc(S(=O)(=O)NCc2cccc(Br)c2O)cn1C ZINC000766200538 1076263635 /nfs/dbraw/zinc/26/36/35/1076263635.db2.gz LYIXUPZGJRFEKK-UHFFFAOYSA-N 0 0 402.270 1.331 20 10 HDCDRN NC(=O)N1CC[C@@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 ZINC000733970809 1076271713 /nfs/dbraw/zinc/27/17/13/1076271713.db2.gz MICHLAZWVLCCTC-NASPGAHYSA-N 0 0 424.573 1.999 20 10 HDCDRN COc1ccc(O)c(CNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000734066523 1076300584 /nfs/dbraw/zinc/30/05/84/1076300584.db2.gz VYDYFAUTACYGAA-UHFFFAOYSA-N 0 0 422.482 1.279 20 10 HDCDRN CCC(=O)N1CSC[C@H]1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000728023319 1076308495 /nfs/dbraw/zinc/30/84/95/1076308495.db2.gz KFXJWFHIYXJVAV-SFHVURJKSA-N 0 0 406.552 1.245 20 10 HDCDRN CNC(=O)C1(C(=O)OCC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000730042566 1076418022 /nfs/dbraw/zinc/41/80/22/1076418022.db2.gz FKYQHTZTHQAVAG-KBPBESRZSA-N 0 0 421.469 1.125 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCCN3CCCCC3=O)cc2)C1 ZINC000730121500 1076464437 /nfs/dbraw/zinc/46/44/37/1076464437.db2.gz QUSIWQWJCRTVGM-SFHVURJKSA-N 0 0 415.538 1.590 20 10 HDCDRN Cc1cc(OCC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)no1 ZINC000730577349 1076608354 /nfs/dbraw/zinc/60/83/54/1076608354.db2.gz HLRIOPKEIOSNEW-UHFFFAOYSA-N 0 0 407.398 1.197 20 10 HDCDRN CC(=O)NCc1cccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC001626090782 1073659048 /nfs/dbraw/zinc/65/90/48/1073659048.db2.gz WPYLPFHKEDDGAU-UHFFFAOYSA-N 0 0 408.502 1.954 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(S(=O)(=O)CC)CC2)cc1F ZINC000731404494 1075331108 /nfs/dbraw/zinc/33/11/08/1075331108.db2.gz NGNVIDGWWUMKOG-UHFFFAOYSA-N 0 0 400.520 1.849 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)cc1F ZINC000731408538 1075333805 /nfs/dbraw/zinc/33/38/05/1075333805.db2.gz PGQNUQCXFPXUMO-UHFFFAOYSA-N 0 0 411.441 1.903 20 10 HDCDRN O=C(COC(=O)c1n[nH]c2c1CCCC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000731704925 1075481788 /nfs/dbraw/zinc/48/17/88/1075481788.db2.gz UVJKSVQPXJNRBJ-UHFFFAOYSA-N 0 0 416.453 1.737 20 10 HDCDRN Cc1ccc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2=O)cc1 ZINC000804136837 1075526017 /nfs/dbraw/zinc/52/60/17/1075526017.db2.gz VWHWSYRPWSXYKI-UHFFFAOYSA-N 0 0 403.460 1.561 20 10 HDCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000731808078 1075527506 /nfs/dbraw/zinc/52/75/06/1075527506.db2.gz DNFUJOWDFXRNBW-UHFFFAOYSA-N 0 0 410.459 1.950 20 10 HDCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)c1 ZINC000731810507 1075527716 /nfs/dbraw/zinc/52/77/16/1075527716.db2.gz MILJDSORMNJHGV-SNVBAGLBSA-N 0 0 415.431 1.303 20 10 HDCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)c1 ZINC000731810506 1075527785 /nfs/dbraw/zinc/52/77/85/1075527785.db2.gz MILJDSORMNJHGV-JTQLQIEISA-N 0 0 415.431 1.303 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)C(=O)NCCN(C)CC(F)(F)F)CC2)cc1 ZINC000804137487 1075529192 /nfs/dbraw/zinc/52/91/92/1075529192.db2.gz CWVMWGCVCIDMLB-UHFFFAOYSA-N 0 0 416.444 1.391 20 10 HDCDRN COc1ccc(N2CCCN(C(=O)C(=O)NCCN(C)CC(F)(F)F)CC2)cc1 ZINC000804138311 1075538711 /nfs/dbraw/zinc/53/87/11/1075538711.db2.gz QZEXPGPVNSQQFP-UHFFFAOYSA-N 0 0 416.444 1.344 20 10 HDCDRN CNS(=O)(=O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1F ZINC000804174277 1075607848 /nfs/dbraw/zinc/60/78/48/1075607848.db2.gz RITWWVXNOTZXJO-UHFFFAOYSA-N 0 0 417.440 1.063 20 10 HDCDRN C[C@H]1CC[C@@H](C(N)=O)CN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732200923 1075674282 /nfs/dbraw/zinc/67/42/82/1075674282.db2.gz VDXROZAZGXMXMI-UONOGXRCSA-N 0 0 405.454 1.986 20 10 HDCDRN C[C@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000141699979 1075686848 /nfs/dbraw/zinc/68/68/48/1075686848.db2.gz JHHRTNWGJBJVFV-ZDUSSCGKSA-N 0 0 414.437 1.577 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1 ZINC000732923108 1075914982 /nfs/dbraw/zinc/91/49/82/1075914982.db2.gz OMFPUCBZUZASPX-UHFFFAOYSA-N 0 0 407.540 1.146 20 10 HDCDRN CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)CS(C)(=O)=O ZINC000732993382 1075942666 /nfs/dbraw/zinc/94/26/66/1075942666.db2.gz HRJMXJJSRRBBON-CQSZACIVSA-N 0 0 401.504 1.627 20 10 HDCDRN Nc1c(C(=O)OCCCN2C(=O)CNC2=O)ccc2c1C(=O)c1ccccc1C2=O ZINC000733385893 1076064571 /nfs/dbraw/zinc/06/45/71/1076064571.db2.gz QHOGKNSUZQAOMY-UHFFFAOYSA-N 0 0 407.382 1.143 20 10 HDCDRN COc1cccc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)c1OC ZINC000727177301 1076081434 /nfs/dbraw/zinc/08/14/34/1076081434.db2.gz FUGLQTHEPWGYCN-FMIVXFBMSA-N 0 0 402.519 1.454 20 10 HDCDRN COc1ccc(OC)c(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)c1 ZINC000727178088 1076081681 /nfs/dbraw/zinc/08/16/81/1076081681.db2.gz RNHAQFALPPWLQB-LCYFTJDESA-N 0 0 402.519 1.454 20 10 HDCDRN Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000733546391 1076107838 /nfs/dbraw/zinc/10/78/38/1076107838.db2.gz ZBLCHKFQFOVRMH-UHFFFAOYSA-N 0 0 411.462 1.141 20 10 HDCDRN CCS(=O)(=O)C[C@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000733645428 1076138502 /nfs/dbraw/zinc/13/85/02/1076138502.db2.gz JDARMBUKUHNQNQ-GOEBONIOSA-N 0 0 410.540 1.011 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000733666102 1076146850 /nfs/dbraw/zinc/14/68/50/1076146850.db2.gz WNCBVBWQCVUKIX-UHFFFAOYSA-N 0 0 405.458 1.964 20 10 HDCDRN CN(CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(=O)OC(C)(C)C ZINC000727767507 1076219744 /nfs/dbraw/zinc/21/97/44/1076219744.db2.gz GTXHDROCWNQYCK-MRXNPFEDSA-N 0 0 404.511 1.871 20 10 HDCDRN CN(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(=O)OC(C)(C)C ZINC000727767506 1076219819 /nfs/dbraw/zinc/21/98/19/1076219819.db2.gz GTXHDROCWNQYCK-INIZCTEOSA-N 0 0 404.511 1.871 20 10 HDCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc4c(c3)CC(=O)N4)CC2)cc1 ZINC000733856135 1076232455 /nfs/dbraw/zinc/23/24/55/1076232455.db2.gz SDUUFKQNJRTMQL-UHFFFAOYSA-N 0 0 408.458 1.867 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(N3CCCC3)nn1)cc2=O ZINC000727874207 1076269388 /nfs/dbraw/zinc/26/93/88/1076269388.db2.gz FOXSRKLMHMPCOJ-UHFFFAOYSA-N 0 0 412.406 1.359 20 10 HDCDRN Cc1nc(S(=O)(=O)NCCC(=O)NCCCSc2nccs2)cn1C ZINC000733972972 1076279513 /nfs/dbraw/zinc/27/95/13/1076279513.db2.gz PYIVJYQZNMRPKI-UHFFFAOYSA-N 0 0 403.555 1.152 20 10 HDCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCCOC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000727909262 1076281747 /nfs/dbraw/zinc/28/17/47/1076281747.db2.gz SIPAYKNQWDCJNI-HNNXBMFYSA-N 0 0 420.487 1.894 20 10 HDCDRN O=C(COC(=O)CCN1CCCC1=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000727912458 1076286310 /nfs/dbraw/zinc/28/63/10/1076286310.db2.gz FFGXAAGABCFMEA-UHFFFAOYSA-N 0 0 420.421 1.956 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000734016341 1076290728 /nfs/dbraw/zinc/29/07/28/1076290728.db2.gz JTOQNSJRSAKFIH-QGZVFWFLSA-N 0 0 420.487 1.788 20 10 HDCDRN CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727993665 1076299179 /nfs/dbraw/zinc/29/91/79/1076299179.db2.gz ZJTDOZWCAGUFSH-WBVHZDCISA-N 0 0 404.536 1.316 20 10 HDCDRN Cc1nnc(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)o1 ZINC000728165738 1076345820 /nfs/dbraw/zinc/34/58/20/1076345820.db2.gz QNTPSRYQWPGZRJ-UHFFFAOYSA-N 0 0 411.441 1.493 20 10 HDCDRN O=C(CSc1nnnn1CC(F)(F)F)NCc1ccc(N2CCOCC2)cc1 ZINC000729968197 1076399501 /nfs/dbraw/zinc/39/95/01/1076399501.db2.gz CDAIINBZXMDHOV-UHFFFAOYSA-N 0 0 416.429 1.481 20 10 HDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000730096426 1076449567 /nfs/dbraw/zinc/44/95/67/1076449567.db2.gz PFKUKXGEDZEUGB-QRQLOZEOSA-N 0 0 421.563 1.479 20 10 HDCDRN COC(=O)C1CCC(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000730121287 1076464381 /nfs/dbraw/zinc/46/43/81/1076464381.db2.gz MNVKMUQFYCRJMZ-ADKAHSJRSA-N 0 0 416.522 1.919 20 10 HDCDRN COc1ccc(N2CCN(C(=O)Cc3cccc(NS(C)(=O)=O)c3)CC2)cc1 ZINC000730206544 1076482983 /nfs/dbraw/zinc/48/29/83/1076482983.db2.gz QYXLQMQJQDVYSP-UHFFFAOYSA-N 0 0 403.504 1.958 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)CSCCS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000730464969 1076579848 /nfs/dbraw/zinc/57/98/48/1076579848.db2.gz QKPAOWRAEBGVFZ-KBPBESRZSA-N 0 0 418.556 1.833 20 10 HDCDRN COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(C)cc1 ZINC000730592114 1076610167 /nfs/dbraw/zinc/61/01/67/1076610167.db2.gz MEDRTARSIXKARC-INIZCTEOSA-N 0 0 406.460 1.759 20 10 HDCDRN CC1CCN(c2ccc(CNS(=O)(=O)C3CCS(=O)(=O)CC3)cc2)CC1 ZINC000731039107 1076716813 /nfs/dbraw/zinc/71/68/13/1076716813.db2.gz ULMWQBQULROEDD-UHFFFAOYSA-N 0 0 400.566 1.920 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC([C@H](O)C(F)(F)F)CC3)CC2)cc1 ZINC000766135713 1075158996 /nfs/dbraw/zinc/15/89/96/1075158996.db2.gz NIQMXGNVBDVECI-IBGZPJMESA-N 0 0 415.456 1.979 20 10 HDCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000785482860 1075315150 /nfs/dbraw/zinc/31/51/50/1075315150.db2.gz XKTALMNCVHUWFA-UHFFFAOYSA-N 0 0 424.545 1.826 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-n3cncn3)nc2)cc1F ZINC000731408071 1075332803 /nfs/dbraw/zinc/33/28/03/1075332803.db2.gz DGIHECQXYBNMPT-UHFFFAOYSA-N 0 0 411.441 1.903 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(-n3nccn3)nc2)cc1F ZINC000731409289 1075333636 /nfs/dbraw/zinc/33/36/36/1075333636.db2.gz PFVIXGOEKJIKSW-UHFFFAOYSA-N 0 0 411.441 1.903 20 10 HDCDRN C[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1ccc(N2CCOCC2)cc1 ZINC000731472990 1075359174 /nfs/dbraw/zinc/35/91/74/1075359174.db2.gz LYVXRZRPQFFIGL-DOOHWEDMSA-N 0 0 400.479 1.469 20 10 HDCDRN C[C@H](NC(=O)NCCS(=O)(=O)NCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000731683606 1075468350 /nfs/dbraw/zinc/46/83/50/1075468350.db2.gz GPFPLEGZRXMTMX-INIZCTEOSA-N 0 0 424.567 1.603 20 10 HDCDRN NC(=O)[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000731757026 1075513308 /nfs/dbraw/zinc/51/33/08/1075513308.db2.gz RXESCKGKGFZMRU-GOSISDBHSA-N 0 0 414.481 1.806 20 10 HDCDRN O=C(C1=CC(=O)CS1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000731861979 1075542629 /nfs/dbraw/zinc/54/26/29/1075542629.db2.gz VMVDZPGKUIPRSZ-UHFFFAOYSA-N 0 0 410.502 1.605 20 10 HDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000804145752 1075545395 /nfs/dbraw/zinc/54/53/95/1075545395.db2.gz DUTBWVWYNKSNKI-KXQLTZBTSA-N 0 0 408.501 2.000 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CONC(=O)CCOc3ccccc3)CC2)cc1 ZINC000731842336 1075547011 /nfs/dbraw/zinc/54/70/11/1075547011.db2.gz ZHVAQKXEGSCLGV-UHFFFAOYSA-N 0 0 413.474 1.861 20 10 HDCDRN CN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)Cc1ccccc1O ZINC000731843489 1075547361 /nfs/dbraw/zinc/54/73/61/1075547361.db2.gz KKGUFOJYPMQNMX-QFIPXVFZSA-N 0 0 410.474 1.799 20 10 HDCDRN C[C@@H]1CN(c2ccc(CN3C(=O)N[C@@H](Cc4c[nH]cn4)C3=O)cc2F)C[C@@H](C)O1 ZINC000804146158 1075547476 /nfs/dbraw/zinc/54/74/76/1075547476.db2.gz JHDBIVJQBVXCNN-XNJGSVPQSA-N 0 0 401.442 1.826 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)OCC(F)(F)F)cc2)C1 ZINC000732059323 1075597674 /nfs/dbraw/zinc/59/76/74/1075597674.db2.gz CFKQAURRSSLNMQ-CYBMUJFWSA-N 0 0 416.400 1.293 20 10 HDCDRN CNC(=O)c1cncc(/C=C\C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000732064627 1075599920 /nfs/dbraw/zinc/59/99/20/1075599920.db2.gz WZRAPHSQVAGVIV-BAQGIRSFSA-N 0 0 423.517 1.401 20 10 HDCDRN CS(=O)(=O)N1CCCC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000804199759 1075665457 /nfs/dbraw/zinc/66/54/57/1075665457.db2.gz GZBPGNKYKLSFOL-AWEZNQCLSA-N 0 0 415.899 1.624 20 10 HDCDRN COC(=O)C(C)(C)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000732202623 1075675014 /nfs/dbraw/zinc/67/50/14/1075675014.db2.gz ZFSZDZWJEYGDCA-HUUCEWRRSA-N 0 0 409.502 1.939 20 10 HDCDRN CNS(=O)(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000732243153 1075678289 /nfs/dbraw/zinc/67/82/89/1075678289.db2.gz NDCFJUXDVVQMAK-HNNXBMFYSA-N 0 0 410.540 1.307 20 10 HDCDRN CCCCn1c(N)c(N(CC)C(=O)COC(=O)C2=CC(=O)CS2)c(=O)[nH]c1=O ZINC000732355515 1075720991 /nfs/dbraw/zinc/72/09/91/1075720991.db2.gz OUVPHVPXPLCPAE-UHFFFAOYSA-N 0 0 410.452 1.308 20 10 HDCDRN CCOCCN1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000732449145 1075740550 /nfs/dbraw/zinc/74/05/50/1075740550.db2.gz JBGYJBYKWWAFMB-LJQANCHMSA-N 0 0 417.554 1.252 20 10 HDCDRN C[C@H](CS(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000732702508 1075835849 /nfs/dbraw/zinc/83/58/49/1075835849.db2.gz USRLVODEAJBDOZ-CYBMUJFWSA-N 0 0 401.504 1.361 20 10 HDCDRN CCCCn1c(N)c(N(CCOC)C(=O)C=Cc2cnc(C)s2)c(=O)[nH]c1=O ZINC000732727884 1075844207 /nfs/dbraw/zinc/84/42/07/1075844207.db2.gz LKFBOXCXSFRLJT-SREVYHEPSA-N 0 0 407.496 1.789 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H]1CCN(CC(F)(F)F)C1=O)cc2=O ZINC000732813950 1075875834 /nfs/dbraw/zinc/87/58/34/1075875834.db2.gz PXQRIDQTYLRWOF-GFCCVEGCSA-N 0 0 415.372 1.207 20 10 HDCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000732913668 1075910356 /nfs/dbraw/zinc/91/03/56/1075910356.db2.gz CXHGPYMQGYJVQF-QGZVFWFLSA-N 0 0 412.494 1.487 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCNC(=O)c2c(F)cccc2F)c1 ZINC000733002912 1075934390 /nfs/dbraw/zinc/93/43/90/1075934390.db2.gz MWPSDBNYRHLAST-UHFFFAOYSA-N 0 0 413.402 1.202 20 10 HDCDRN COCCN(CCC(=O)OC)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000733309642 1076035340 /nfs/dbraw/zinc/03/53/40/1076035340.db2.gz HGYADXMNSQGEEH-UHFFFAOYSA-N 0 0 424.453 1.912 20 10 HDCDRN CO[C@H](CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000733355145 1076050142 /nfs/dbraw/zinc/05/01/42/1076050142.db2.gz NFBGWUMZXPRVHV-DZGCQCFKSA-N 0 0 402.417 1.765 20 10 HDCDRN O=C(NCCN1C(=O)CNC1=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000733353099 1076050163 /nfs/dbraw/zinc/05/01/63/1076050163.db2.gz ZBJNBAGHWLIMHC-UHFFFAOYSA-N 0 0 411.409 1.108 20 10 HDCDRN COc1ccc(N2CCN(CCCNS(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 ZINC000727168005 1076067406 /nfs/dbraw/zinc/06/74/06/1076067406.db2.gz HANMNWDOIHVPQU-UHFFFAOYSA-N 0 0 407.540 1.228 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2cnn(Cc3ccccc3)c2)SC1=S ZINC000727176931 1076070177 /nfs/dbraw/zinc/07/01/77/1076070177.db2.gz TVTOWHAXOBFAQL-OQLLNIDSSA-N 0 0 422.557 1.682 20 10 HDCDRN COc1cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc(OC)c1 ZINC000727178294 1076073152 /nfs/dbraw/zinc/07/31/52/1076073152.db2.gz UOPBZHDKBXUPGZ-MDWZMJQESA-N 0 0 402.519 1.454 20 10 HDCDRN COc1ccc(OC)c(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)c1 ZINC000727178090 1076081745 /nfs/dbraw/zinc/08/17/45/1076081745.db2.gz RNHAQFALPPWLQB-UKTHLTGXSA-N 0 0 402.519 1.454 20 10 HDCDRN O=C(CSC[C@@H]1CCCCO1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000727371611 1076100151 /nfs/dbraw/zinc/10/01/51/1076100151.db2.gz OUWWGSGOPHZAQJ-SFHVURJKSA-N 0 0 412.577 1.840 20 10 HDCDRN Cc1cc(C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1cccc(F)c1 ZINC000733570565 1076105796 /nfs/dbraw/zinc/10/57/96/1076105796.db2.gz LCWMBVSIOAKADO-UHFFFAOYSA-N 0 0 415.377 1.380 20 10 HDCDRN COCCN(C(=O)CN(Cc1ccccc1O)C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000733614140 1076129725 /nfs/dbraw/zinc/12/97/25/1076129725.db2.gz ZHTJJUJPORDHBW-IBGZPJMESA-N 0 0 424.563 1.799 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCc3cc4c([nH]c3=O)CCC4)cc2)C1 ZINC000733643887 1076138014 /nfs/dbraw/zinc/13/80/14/1076138014.db2.gz ADTIRNIQAGMZNE-KRWDZBQOSA-N 0 0 423.517 1.977 20 10 HDCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1 ZINC000727607826 1076179037 /nfs/dbraw/zinc/17/90/37/1076179037.db2.gz BVNPKPXSADHLLG-UHFFFAOYSA-N 0 0 411.430 1.689 20 10 HDCDRN CN(C)C(=O)c1cc(S(=O)(=O)NCc2cccc(Br)c2O)cn1C ZINC000766201867 1076263927 /nfs/dbraw/zinc/26/39/27/1076263927.db2.gz WNBNLXDCIYJHAG-UHFFFAOYSA-N 0 0 416.297 1.674 20 10 HDCDRN O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCCSc1nccs1 ZINC000733972319 1076278819 /nfs/dbraw/zinc/27/88/19/1076278819.db2.gz QEYBMMCTUGZWPK-UHFFFAOYSA-N 0 0 405.299 1.467 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1 ZINC000734016933 1076290672 /nfs/dbraw/zinc/29/06/72/1076290672.db2.gz PDNLYLZFORHUDD-UHFFFAOYSA-N 0 0 411.505 1.396 20 10 HDCDRN Cc1nnnn1-c1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1F ZINC000727945607 1076292492 /nfs/dbraw/zinc/29/24/92/1076292492.db2.gz XPBFNYRXKKPUOB-UHFFFAOYSA-N 0 0 423.452 1.965 20 10 HDCDRN CCNC(=O)COc1cccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)c1 ZINC000734072947 1076301842 /nfs/dbraw/zinc/30/18/42/1076301842.db2.gz WICLUPSKLVXYKX-UHFFFAOYSA-N 0 0 401.419 1.171 20 10 HDCDRN CN(CCS(C)(=O)=O)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000728054777 1076321578 /nfs/dbraw/zinc/32/15/78/1076321578.db2.gz PYTATZVNYHAAOO-UHFFFAOYSA-N 0 0 400.456 1.377 20 10 HDCDRN CNC(=O)C1(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000730042568 1076418000 /nfs/dbraw/zinc/41/80/00/1076418000.db2.gz FKYQHTZTHQAVAG-ZIAGYGMSSA-N 0 0 421.469 1.125 20 10 HDCDRN CCCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000730316078 1076530721 /nfs/dbraw/zinc/53/07/21/1076530721.db2.gz HNOKDRVGKDXZDS-QGZVFWFLSA-N 0 0 407.536 1.956 20 10 HDCDRN Cc1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1S(N)(=O)=O ZINC000730842521 1076670848 /nfs/dbraw/zinc/67/08/48/1076670848.db2.gz HDWRFPRTSLIYAL-OAHLLOKOSA-N 0 0 403.504 1.970 20 10 HDCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nnc2n1CCC2 ZINC000730937611 1076697496 /nfs/dbraw/zinc/69/74/96/1076697496.db2.gz RQAGRSVWBDIRNM-ZDUSSCGKSA-N 0 0 402.474 1.885 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)NCCCN3C(=O)CNC3=O)cc2F)C[C@H](C)O1 ZINC000731045294 1076713220 /nfs/dbraw/zinc/71/32/20/1076713220.db2.gz AXDSMIUWRKOABS-KBPBESRZSA-N 0 0 421.473 1.180 20 10 HDCDRN COc1cc(OC)c(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(OC)c1 ZINC000731053324 1076719491 /nfs/dbraw/zinc/71/94/91/1076719491.db2.gz LIEGTJDAAZDAOI-UHFFFAOYSA-N 0 0 424.475 1.762 20 10 HDCDRN CS(=O)(=O)CCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000731165560 1076740465 /nfs/dbraw/zinc/74/04/65/1076740465.db2.gz CMLAZOOWPUMLLX-UHFFFAOYSA-N 0 0 408.442 1.983 20 10 HDCDRN C[C@@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000731185153 1076741276 /nfs/dbraw/zinc/74/12/76/1076741276.db2.gz SKHHJTMEXKXREP-QGZVFWFLSA-N 0 0 412.490 1.428 20 10 HDCDRN CC(C)(C)n1cc(C(=O)C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 ZINC001626090536 1073647537 /nfs/dbraw/zinc/64/75/37/1073647537.db2.gz LPIWULQLFNRZEH-UHFFFAOYSA-N 0 0 411.506 1.839 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1F ZINC000731409689 1075334654 /nfs/dbraw/zinc/33/46/54/1075334654.db2.gz XYACKVKGZLCSJI-UHFFFAOYSA-N 0 0 422.482 1.725 20 10 HDCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000804080553 1075347081 /nfs/dbraw/zinc/34/70/81/1075347081.db2.gz LWBYTYSYQQHBSY-UHFFFAOYSA-N 0 0 414.481 1.291 20 10 HDCDRN CCNS(=O)(=O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000731681832 1075465564 /nfs/dbraw/zinc/46/55/64/1075465564.db2.gz IUQZIFBMEWPNJA-ZIAGYGMSSA-N 0 0 416.519 1.178 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CS(=O)(=O)Cc3cnc(C)s3)CC2)cc1 ZINC000731750621 1075508184 /nfs/dbraw/zinc/50/81/84/1075508184.db2.gz ZTHPEUQVMNTUNA-UHFFFAOYSA-N 0 0 409.533 1.724 20 10 HDCDRN CN(C)C(=O)CN1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000731761725 1075516715 /nfs/dbraw/zinc/51/67/15/1075516715.db2.gz AFXOZNKJNJCLRI-UHFFFAOYSA-N 0 0 401.555 1.979 20 10 HDCDRN Nc1c(C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000731845388 1075529641 /nfs/dbraw/zinc/52/96/41/1075529641.db2.gz ZLWHQZPURGSMOQ-HNNXBMFYSA-N 0 0 414.462 1.436 20 10 HDCDRN Cn1c(=O)c2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)nc2n(C)c1=O ZINC000731856854 1075538995 /nfs/dbraw/zinc/53/89/95/1075538995.db2.gz UIXDIURCTORVHW-OAHLLOKOSA-N 0 0 424.457 1.159 20 10 HDCDRN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000804155543 1075561592 /nfs/dbraw/zinc/56/15/92/1075561592.db2.gz XDCGTHYGDCTUDW-MRXNPFEDSA-N 0 0 411.506 1.142 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)CCCCN3CCOCC3)CC2)cc1 ZINC000732064260 1075599925 /nfs/dbraw/zinc/59/99/25/1075599925.db2.gz DSTLUEQPKBTJOP-UHFFFAOYSA-N 0 0 404.555 1.436 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@H]1CN1CCCC1=O)cc2=O ZINC000732212726 1075668868 /nfs/dbraw/zinc/66/88/68/1075668868.db2.gz NPQLMJFZRVGBRC-HNNXBMFYSA-N 0 0 401.467 1.589 20 10 HDCDRN COC(=O)CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1cc(Cl)ccc1O ZINC000732202783 1075675057 /nfs/dbraw/zinc/67/50/57/1075675057.db2.gz COAKTMGFISDIRX-UHFFFAOYSA-N 0 0 423.897 1.101 20 10 HDCDRN O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)c1cncc(O)c1 ZINC000732275742 1075686738 /nfs/dbraw/zinc/68/67/38/1075686738.db2.gz ANUVRFGUCNUOEA-UHFFFAOYSA-N 0 0 408.437 1.973 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCC(=O)N2Cc3ccccc3C2)c1 ZINC000732301600 1075693981 /nfs/dbraw/zinc/69/39/81/1075693981.db2.gz YCLIDYXXPKKODA-UHFFFAOYSA-N 0 0 417.487 1.816 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCCN(C(N)=O)CC3)cc2F)C[C@H](C)O1 ZINC000732408563 1075736488 /nfs/dbraw/zinc/73/64/88/1075736488.db2.gz LXMYOMFXKARDAL-HOTGVXAUSA-N 0 0 421.517 1.142 20 10 HDCDRN CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCc3ccccc3O)cn2)CC1 ZINC000732700196 1075834871 /nfs/dbraw/zinc/83/48/71/1075834871.db2.gz HHRIHZHZAUMPCB-UHFFFAOYSA-N 0 0 405.480 1.191 20 10 HDCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@H](CNc2nccn(C)c2=O)C1 ZINC000472223649 1075848085 /nfs/dbraw/zinc/84/80/85/1075848085.db2.gz UMIYYKOEEZCKBZ-MRXNPFEDSA-N 0 0 424.505 1.603 20 10 HDCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000732754479 1075856563 /nfs/dbraw/zinc/85/65/63/1075856563.db2.gz ATZMXGOILGFKKU-GOSISDBHSA-N 0 0 410.478 1.165 20 10 HDCDRN Cc1cc(C(=O)COC(=O)Cn2ncn3nccc3c2=O)c(C)n1-c1ccccc1 ZINC000732863895 1075889266 /nfs/dbraw/zinc/88/92/66/1075889266.db2.gz DODKGIAVIADHMJ-UHFFFAOYSA-N 0 0 405.414 1.725 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CCS(=O)(=O)CC1 ZINC000732935224 1075919771 /nfs/dbraw/zinc/91/97/71/1075919771.db2.gz AXEUEZRCXBPSCN-UHFFFAOYSA-N 0 0 420.453 1.983 20 10 HDCDRN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000733002847 1075933771 /nfs/dbraw/zinc/93/37/71/1075933771.db2.gz ZPMJPBHJASAKJY-CYBMUJFWSA-N 0 0 411.524 1.778 20 10 HDCDRN CN(C)c1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 ZINC000732989389 1075941041 /nfs/dbraw/zinc/94/10/41/1075941041.db2.gz GHZRMDGTAPSJLN-UHFFFAOYSA-N 0 0 420.535 1.365 20 10 HDCDRN CN(CC(=O)NCCCN(C)S(C)(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000733026873 1075944874 /nfs/dbraw/zinc/94/48/74/1075944874.db2.gz VTWWPWSXIGCGLY-UHFFFAOYSA-N 0 0 410.584 1.506 20 10 HDCDRN CCCCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000727111334 1076047599 /nfs/dbraw/zinc/04/75/99/1076047599.db2.gz YDTOXYHZMCLCRX-LJQANCHMSA-N 0 0 423.579 1.633 20 10 HDCDRN CN(Cc1ccccc1O)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727165285 1076067031 /nfs/dbraw/zinc/06/70/31/1076067031.db2.gz ZWSDXOZQBMTPOS-UHFFFAOYSA-N 0 0 406.240 1.257 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S ZINC000727178026 1076070457 /nfs/dbraw/zinc/07/04/57/1076070457.db2.gz QQXILCUSXTXOKF-VURMDHGXSA-N 0 0 411.324 1.793 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)N[C@H]3CCc4nc(C)nn4C3)CC2)cc1 ZINC000727227097 1076084909 /nfs/dbraw/zinc/08/49/09/1076084909.db2.gz WIXKBZLFPDGZRS-KRWDZBQOSA-N 0 0 413.526 1.031 20 10 HDCDRN CN(CC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000733587593 1076117823 /nfs/dbraw/zinc/11/78/23/1076117823.db2.gz BBPALQAOTAPYDV-UHFFFAOYSA-N 0 0 415.465 1.958 20 10 HDCDRN COCCN(C(=O)CN(Cc1ccccc1O)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000733614141 1076129666 /nfs/dbraw/zinc/12/96/66/1076129666.db2.gz ZHTJJUJPORDHBW-LJQANCHMSA-N 0 0 424.563 1.799 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)NCCCc3nc(C)no3)CC2)cc1 ZINC000727477636 1076129744 /nfs/dbraw/zinc/12/97/44/1076129744.db2.gz QSHXXRQIDCNNTQ-UHFFFAOYSA-N 0 0 402.499 1.441 20 10 HDCDRN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000733663878 1076144851 /nfs/dbraw/zinc/14/48/51/1076144851.db2.gz LRJJVUFHTGFESC-UHFFFAOYSA-N 0 0 406.460 1.409 20 10 HDCDRN CC(=O)NCc1ccc(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000733665775 1076146888 /nfs/dbraw/zinc/14/68/88/1076146888.db2.gz SHPJZPDTSHNFBK-UHFFFAOYSA-N 0 0 410.474 1.414 20 10 HDCDRN COC(=O)CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)CC(=O)OC ZINC000727759096 1076232311 /nfs/dbraw/zinc/23/23/11/1076232311.db2.gz PEAZGBXWUNGKJW-UHFFFAOYSA-N 0 0 424.409 1.049 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3cn(C)nc3C)CC2)cc1 ZINC000727843588 1076269602 /nfs/dbraw/zinc/26/96/02/1076269602.db2.gz FJOCJCGKPUYTTG-MRXNPFEDSA-N 0 0 400.527 1.920 20 10 HDCDRN COc1c(F)cc(CC(=O)NCCCSc2nccs2)cc1S(N)(=O)=O ZINC000733973061 1076279279 /nfs/dbraw/zinc/27/92/79/1076279279.db2.gz RUJKFTRDOVRVOV-UHFFFAOYSA-N 0 0 419.525 1.779 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)c1 ZINC000734017616 1076291021 /nfs/dbraw/zinc/29/10/21/1076291021.db2.gz QUVVGWLCPALYGF-UHFFFAOYSA-N 0 0 413.455 1.949 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c1 ZINC000734017653 1076291029 /nfs/dbraw/zinc/29/10/29/1076291029.db2.gz UWLXYPGDZQPHEM-LFIXQJEJSA-N 0 0 423.469 1.820 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1 ZINC000734072891 1076301180 /nfs/dbraw/zinc/30/11/80/1076301180.db2.gz SOBSCSJUTLSNIM-ZIAGYGMSSA-N 0 0 414.462 1.664 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c1 ZINC000734072462 1076301473 /nfs/dbraw/zinc/30/14/73/1076301473.db2.gz BATWDNVQWQMDCB-UHFFFAOYSA-N 0 0 413.430 1.791 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)c1 ZINC000734072683 1076301605 /nfs/dbraw/zinc/30/16/05/1076301605.db2.gz NLFDLGFWKRBKSM-UHFFFAOYSA-N 0 0 420.487 1.979 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)c1 ZINC000734073116 1076302203 /nfs/dbraw/zinc/30/22/03/1076302203.db2.gz DMDNTKOBQKQPBX-UHFFFAOYSA-N 0 0 414.386 1.337 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 ZINC000734074832 1076302488 /nfs/dbraw/zinc/30/24/88/1076302488.db2.gz VZBSEPRNQWUMRA-UHFFFAOYSA-N 0 0 408.418 1.644 20 10 HDCDRN CCCC(=O)N1CSC[C@@H]1C(=O)OCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000730321261 1076538259 /nfs/dbraw/zinc/53/82/59/1076538259.db2.gz ZLVXXMNJXADMFR-CYBMUJFWSA-N 0 0 422.463 1.356 20 10 HDCDRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)N1CCNC(=O)C1 ZINC000731036922 1076715809 /nfs/dbraw/zinc/71/58/09/1076715809.db2.gz SLBXOIVNESQDHI-UHFFFAOYSA-N 0 0 402.495 1.422 20 10 HDCDRN COc1ccc(N2CCCN(C(=O)COCC(=O)NCc3cccnc3)CC2)cc1 ZINC000731185871 1076741246 /nfs/dbraw/zinc/74/12/46/1076741246.db2.gz YPZBKNIVAVLKLH-UHFFFAOYSA-N 0 0 412.490 1.462 20 10 HDCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1CCCS(=O)(=O)C1 ZINC001671055959 1073581575 /nfs/dbraw/zinc/58/15/75/1073581575.db2.gz SBQWVJHFALFYMD-CYBMUJFWSA-N 0 0 403.451 1.178 20 10 HDCDRN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001626090386 1073636869 /nfs/dbraw/zinc/63/68/69/1073636869.db2.gz FTUICHRFTLRGEB-UHFFFAOYSA-N 0 0 423.473 1.467 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](CO)OC[C@@H]3C)cc2F)C[C@@H](C)O1 ZINC000766098012 1074761444 /nfs/dbraw/zinc/76/14/44/1074761444.db2.gz KBYDHJLNLXYAJH-BVIKNXMNSA-N 0 0 409.502 1.137 20 10 HDCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1F ZINC000731356545 1075319760 /nfs/dbraw/zinc/31/97/60/1075319760.db2.gz IUGWVNXOPHRMBL-UHFFFAOYSA-N 0 0 420.466 1.680 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1F ZINC000731404001 1075330720 /nfs/dbraw/zinc/33/07/20/1075330720.db2.gz DYGFPVLNWSJOEO-UHFFFAOYSA-N 0 0 405.518 1.778 20 10 HDCDRN CCOC(=O)c1cnn(C)c1NC(=O)CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000731445806 1075342424 /nfs/dbraw/zinc/34/24/24/1075342424.db2.gz CLTQAOHSWOXLRE-UHFFFAOYSA-N 0 0 415.494 1.756 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)C(=O)NCCNC(=O)C(C)(C)C)CC2)cc1 ZINC000804098760 1075398167 /nfs/dbraw/zinc/39/81/67/1075398167.db2.gz ZWXQUONZZHNYJV-UHFFFAOYSA-N 0 0 404.511 1.059 20 10 HDCDRN CN1CCCc2cc(CNC(=O)NC3CCN(CCS(C)(=O)=O)CC3)ccc21 ZINC000731687155 1075449855 /nfs/dbraw/zinc/44/98/55/1075449855.db2.gz ZAKCSBBKJVALLH-UHFFFAOYSA-N 0 0 408.568 1.377 20 10 HDCDRN CN(C)C(=O)CN1CCC(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000731762063 1075516369 /nfs/dbraw/zinc/51/63/69/1075516369.db2.gz ADAHKKLUBZTKBL-IBGZPJMESA-N 0 0 418.538 1.635 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C(=O)OC)Oc3ccccc31)cc2=O ZINC000731842945 1075548651 /nfs/dbraw/zinc/54/86/51/1075548651.db2.gz LDECEVZDFMLRTK-MRXNPFEDSA-N 0 0 412.402 1.552 20 10 HDCDRN Cc1cc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(C)n1-c1ccccn1 ZINC000732164029 1075643018 /nfs/dbraw/zinc/64/30/18/1075643018.db2.gz RDDPHNQBFBLHCL-QGZVFWFLSA-N 0 0 420.535 1.707 20 10 HDCDRN COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000732216002 1075670289 /nfs/dbraw/zinc/67/02/89/1075670289.db2.gz KRQVVJMBBMNLED-UHFFFAOYSA-N 0 0 408.480 1.162 20 10 HDCDRN COCCCS(=O)(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000732216927 1075671019 /nfs/dbraw/zinc/67/10/19/1075671019.db2.gz ASLGXELKFYYVMM-UHFFFAOYSA-N 0 0 423.514 1.398 20 10 HDCDRN O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000732241104 1075677656 /nfs/dbraw/zinc/67/76/56/1075677656.db2.gz AWNQZZNEDYURGW-IBGZPJMESA-N 0 0 424.567 1.575 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H](O)c1cccc(OC)c1)cc2=O ZINC000732345463 1075716620 /nfs/dbraw/zinc/71/66/20/1075716620.db2.gz BQINIMWYKSYPCK-INIZCTEOSA-N 0 0 401.375 1.397 20 10 HDCDRN CN1CCCc2cc(CNC(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)ccc21 ZINC000732457849 1075749382 /nfs/dbraw/zinc/74/93/82/1075749382.db2.gz UUXMJMPNCYSLLS-SFHVURJKSA-N 0 0 424.567 1.357 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000732923324 1075914662 /nfs/dbraw/zinc/91/46/62/1075914662.db2.gz WMMXAJOXORBMQG-HDICACEKSA-N 0 0 410.584 1.630 20 10 HDCDRN COC(=O)c1ccc(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000732923303 1075914742 /nfs/dbraw/zinc/91/47/42/1075914742.db2.gz UYAIEVUWKXEZSC-UHFFFAOYSA-N 0 0 423.491 1.175 20 10 HDCDRN CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000733039785 1075961815 /nfs/dbraw/zinc/96/18/15/1075961815.db2.gz RRFRZYVLNXGNFH-DOTOQJQBSA-N 0 0 424.567 1.353 20 10 HDCDRN COc1ccc(N2CCN(CCCNC(=O)c3ccc(S(C)(=O)=O)o3)CC2)cc1 ZINC000733092977 1075972111 /nfs/dbraw/zinc/97/21/11/1075972111.db2.gz LMRSJUWVLGRBQW-UHFFFAOYSA-N 0 0 421.519 1.634 20 10 HDCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2cc[nH]c(=O)c2=O)cc1 ZINC000733143926 1075974625 /nfs/dbraw/zinc/97/46/25/1075974625.db2.gz OBGPLYUBQSZADR-SFHVURJKSA-N 0 0 400.479 1.201 20 10 HDCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)CC2)cc1 ZINC000727037726 1076031205 /nfs/dbraw/zinc/03/12/05/1076031205.db2.gz IQIWRGZMBBPOQD-UHFFFAOYSA-N 0 0 420.473 1.953 20 10 HDCDRN CNS(=O)(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000733300298 1076033355 /nfs/dbraw/zinc/03/33/55/1076033355.db2.gz LUYXSBCYGRFYMX-HNNXBMFYSA-N 0 0 404.488 1.842 20 10 HDCDRN NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000733369415 1076057798 /nfs/dbraw/zinc/05/77/98/1076057798.db2.gz PFARETWTLXWLGI-UHFFFAOYSA-N 0 0 409.508 1.956 20 10 HDCDRN CCOc1cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)ccc1OC ZINC000727178599 1076072795 /nfs/dbraw/zinc/07/27/95/1076072795.db2.gz XMJYMGSFANRQJW-UVTDQMKNSA-N 0 0 416.546 1.844 20 10 HDCDRN COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000727230769 1076085478 /nfs/dbraw/zinc/08/54/78/1076085478.db2.gz TXDMDUOVFJYKML-GOSISDBHSA-N 0 0 401.438 1.779 20 10 HDCDRN CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000733647427 1076139594 /nfs/dbraw/zinc/13/95/94/1076139594.db2.gz QGQUBGUYLVXZSR-CYBMUJFWSA-N 0 0 401.504 1.409 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(CN3CCOCC3)c2)c1 ZINC000727485364 1076140966 /nfs/dbraw/zinc/14/09/66/1076140966.db2.gz NZWPBQAXLAZVEJ-UHFFFAOYSA-N 0 0 405.476 1.848 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000733849835 1076227444 /nfs/dbraw/zinc/22/74/44/1076227444.db2.gz FQHBMIKPZBSLJF-UHFFFAOYSA-N 0 0 412.421 1.412 20 10 HDCDRN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCCCSc1nccs1 ZINC000733972573 1076278856 /nfs/dbraw/zinc/27/88/56/1076278856.db2.gz ISAJJWPVLQLUAB-OAHLLOKOSA-N 0 0 412.581 1.455 20 10 HDCDRN COCCN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)CC(=O)OC ZINC000733995959 1076287691 /nfs/dbraw/zinc/28/76/91/1076287691.db2.gz IAXHMPHRJSJITG-UHFFFAOYSA-N 0 0 410.426 1.522 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 ZINC000734016159 1076290684 /nfs/dbraw/zinc/29/06/84/1076290684.db2.gz CTYDKJPJAJIOMR-FQEVSTJZSA-N 0 0 409.442 1.493 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000734016498 1076290749 /nfs/dbraw/zinc/29/07/49/1076290749.db2.gz XAOXMUFIGIZSBY-UHFFFAOYSA-N 0 0 421.475 1.296 20 10 HDCDRN CCNC(=O)COc1ccc(CNC(=O)NCc2cc(OC)ccc2O)cc1OC ZINC000734065103 1076300539 /nfs/dbraw/zinc/30/05/39/1076300539.db2.gz VQAVASWMEIXNIJ-UHFFFAOYSA-N 0 0 417.462 1.924 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)N(C)CCS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000728130283 1076338940 /nfs/dbraw/zinc/33/89/40/1076338940.db2.gz XEUGRHSIRNDVNW-KBPBESRZSA-N 0 0 401.504 1.625 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3Cc4ccccc4C3=O)cc2)C1 ZINC000729967263 1076399629 /nfs/dbraw/zinc/39/96/29/1076399629.db2.gz KZMXZMFPSDKJKI-GOSISDBHSA-N 0 0 406.486 1.661 20 10 HDCDRN Cc1cc(C(=O)CN2CCn3cnnc3C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000730006880 1076411119 /nfs/dbraw/zinc/41/11/19/1076411119.db2.gz ZPSIEGUQPVXATO-UHFFFAOYSA-N 0 0 414.491 1.032 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CN1Cc3ccccc3C1=O)cc2=O ZINC000730052661 1076426588 /nfs/dbraw/zinc/42/65/88/1076426588.db2.gz OAGGOJKUVHTUMY-UHFFFAOYSA-N 0 0 410.386 1.311 20 10 HDCDRN CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000730312509 1076527523 /nfs/dbraw/zinc/52/75/23/1076527523.db2.gz QKAOMBAQIDIAOJ-KRWDZBQOSA-N 0 0 421.519 1.199 20 10 HDCDRN Cc1cc(C(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)c(C)n1-c1cccc(F)c1 ZINC000730571894 1076606260 /nfs/dbraw/zinc/60/62/60/1076606260.db2.gz XEZBBTYQYZSIOM-MRXNPFEDSA-N 0 0 422.526 1.921 20 10 HDCDRN CC(=O)N1CCN(C(=O)CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000730824114 1076662692 /nfs/dbraw/zinc/66/26/92/1076662692.db2.gz VWVVSWISADKBFY-UHFFFAOYSA-N 0 0 401.511 1.167 20 10 HDCDRN C[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000140974101 1075176089 /nfs/dbraw/zinc/17/60/89/1075176089.db2.gz IJBNRQSHKNMWBD-RDJZCZTQSA-N 0 0 410.540 1.307 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)NCCOC[C@H]3CCOC3)CC2)cc1 ZINC000731681383 1075463623 /nfs/dbraw/zinc/46/36/23/1075463623.db2.gz DBNACPKOZNMBON-SFHVURJKSA-N 0 0 406.527 1.170 20 10 HDCDRN CC(C)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)NS(C)(=O)=O ZINC000731681844 1075465077 /nfs/dbraw/zinc/46/50/77/1075465077.db2.gz JIKJFYXXTNOIAH-UHFFFAOYSA-N 0 0 400.570 1.367 20 10 HDCDRN CN(C)C(=O)CN1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000731756057 1075512329 /nfs/dbraw/zinc/51/23/29/1075512329.db2.gz DHSWAXQUPUOPDB-UHFFFAOYSA-N 0 0 419.595 1.592 20 10 HDCDRN CN(CCNC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F ZINC000804138665 1075538421 /nfs/dbraw/zinc/53/84/21/1075538421.db2.gz VIMOVFPGJCOAET-UHFFFAOYSA-N 0 0 416.444 1.092 20 10 HDCDRN O=C(OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=CC(=O)CS1 ZINC000731909185 1075567001 /nfs/dbraw/zinc/56/70/01/1075567001.db2.gz BWYAQWMLLHQAHS-UHFFFAOYSA-N 0 0 413.473 1.710 20 10 HDCDRN CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000731977667 1075581607 /nfs/dbraw/zinc/58/16/07/1075581607.db2.gz PLHFPUAGKUCHQW-YOCVDRLZSA-N 0 0 421.501 1.473 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCN(C(N)=O)CC3)cc2F)C[C@H](C)O1 ZINC000732408567 1075736514 /nfs/dbraw/zinc/73/65/14/1075736514.db2.gz LXMYOMFXKARDAL-IYBDPMFKSA-N 0 0 421.517 1.142 20 10 HDCDRN CCOCCN1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000732454656 1075743122 /nfs/dbraw/zinc/74/31/22/1075743122.db2.gz ALXSPZKCFBCIKV-UHFFFAOYSA-N 0 0 419.570 1.181 20 10 HDCDRN O=C(COC(=O)c1ccnc(C2CC2)n1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732693635 1075833604 /nfs/dbraw/zinc/83/36/04/1075833604.db2.gz HHZMUTGGZKSVDQ-UHFFFAOYSA-N 0 0 414.437 1.803 20 10 HDCDRN COC[C@@](C)(O)CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000732702139 1075836163 /nfs/dbraw/zinc/83/61/63/1075836163.db2.gz RFDGWTZIWNKSMG-KRWDZBQOSA-N 0 0 405.417 1.739 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](N4CCCCC4=O)C3)CC2)cc1 ZINC000732812651 1075872762 /nfs/dbraw/zinc/87/27/62/1075872762.db2.gz PWCKWLPWFVSFQB-FQEVSTJZSA-N 0 0 414.550 1.821 20 10 HDCDRN COc1ccc(N2CCN(CCNc3cnn(C)c(=O)c3Br)CC2)cc1 ZINC000732981101 1075936124 /nfs/dbraw/zinc/93/61/24/1075936124.db2.gz DAINMHNNTXMEAH-UHFFFAOYSA-N 0 0 422.327 1.786 20 10 HDCDRN CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@H](C)CS(C)(=O)=O ZINC000732985916 1075939767 /nfs/dbraw/zinc/93/97/67/1075939767.db2.gz WGWFDBSYADOJIM-OAHLLOKOSA-N 0 0 415.531 1.034 20 10 HDCDRN CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000733039787 1075961809 /nfs/dbraw/zinc/96/18/09/1075961809.db2.gz RRFRZYVLNXGNFH-RDJZCZTQSA-N 0 0 424.567 1.353 20 10 HDCDRN CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)CS(=O)(=O)CC ZINC000733197302 1076003928 /nfs/dbraw/zinc/00/39/28/1076003928.db2.gz PBXUZLDFZNBZQM-KRWDZBQOSA-N 0 0 411.568 1.489 20 10 HDCDRN CO[C@H](CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000733355147 1076050374 /nfs/dbraw/zinc/05/03/74/1076050374.db2.gz NFBGWUMZXPRVHV-UKRRQHHQSA-N 0 0 402.417 1.765 20 10 HDCDRN COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)Cc1ccc(O)cc1 ZINC000733362453 1076053274 /nfs/dbraw/zinc/05/32/74/1076053274.db2.gz LVDPIDZVWOJCNH-CYBMUJFWSA-N 0 0 422.459 1.231 20 10 HDCDRN CCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000727307703 1076092386 /nfs/dbraw/zinc/09/23/86/1076092386.db2.gz DNIHWETZCNLQEY-WMZOPIPTSA-N 0 0 418.563 1.706 20 10 HDCDRN COc1ccc(N2CCN(CCCNS(=O)(=O)N(C)[C@H](C)C3CC3)CC2)cc1 ZINC000727444818 1076123539 /nfs/dbraw/zinc/12/35/39/1076123539.db2.gz JYMRMSONWSQCQC-QGZVFWFLSA-N 0 0 410.584 1.772 20 10 HDCDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000733648178 1076139964 /nfs/dbraw/zinc/13/99/64/1076139964.db2.gz RVOWCYQNVBWQBP-HLLBOEOZSA-N 0 0 424.567 1.351 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc3c(c1)NC(=O)CN3)cc2=O ZINC000727523789 1076146903 /nfs/dbraw/zinc/14/69/03/1076146903.db2.gz GFEKUQZQOZKWQJ-UHFFFAOYSA-N 0 0 411.374 1.333 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2ccc(Br)cn2)SC1=S ZINC000733812670 1076211570 /nfs/dbraw/zinc/21/15/70/1076211570.db2.gz BYKIZXKJWXAJHE-UXBLZVDNSA-N 0 0 422.351 1.595 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2ccc(Br)cn2)SC1=S ZINC000733812669 1076211581 /nfs/dbraw/zinc/21/15/81/1076211581.db2.gz BYKIZXKJWXAJHE-POHAHGRESA-N 0 0 422.351 1.595 20 10 HDCDRN CCN(CC)S(=O)(=O)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733889268 1076251271 /nfs/dbraw/zinc/25/12/71/1076251271.db2.gz QCNXECJHVVBXPU-GJZGRUSLSA-N 0 0 415.531 1.727 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)COC4)cc2)C1 ZINC000727834438 1076264757 /nfs/dbraw/zinc/26/47/57/1076264757.db2.gz SNIFIIOVUZIURB-INIZCTEOSA-N 0 0 415.515 1.897 20 10 HDCDRN CCn1c(=O)c2ccccc2n(CC(=O)NCCCSc2nccs2)c1=O ZINC000733972982 1076279526 /nfs/dbraw/zinc/27/95/26/1076279526.db2.gz BXCPRJGZGKWAPL-UHFFFAOYSA-N 0 0 404.517 1.938 20 10 HDCDRN Cc1cc(C(=O)CN(C)Cc2cc[nH]n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000733995807 1076286771 /nfs/dbraw/zinc/28/67/71/1076286771.db2.gz AENSFUGSKBMJON-UHFFFAOYSA-N 0 0 401.492 1.779 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 ZINC000734015067 1076290318 /nfs/dbraw/zinc/29/03/18/1076290318.db2.gz XTRQTXHQBIFORD-UHFFFAOYSA-N 0 0 420.487 1.660 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c1 ZINC000734017655 1076290985 /nfs/dbraw/zinc/29/09/85/1076290985.db2.gz UWLXYPGDZQPHEM-PVABEOQZSA-N 0 0 423.469 1.820 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000734018497 1076291247 /nfs/dbraw/zinc/29/12/47/1076291247.db2.gz VNMLMLYMKQAHBX-UHFFFAOYSA-N 0 0 406.460 1.352 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 ZINC000734072469 1076301598 /nfs/dbraw/zinc/30/15/98/1076301598.db2.gz BGNGNDGPTGZNOR-UHFFFAOYSA-N 0 0 408.414 1.261 20 10 HDCDRN CCC(=O)N1CSC[C@@H]1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000728023318 1076308577 /nfs/dbraw/zinc/30/85/77/1076308577.db2.gz KFXJWFHIYXJVAV-GOSISDBHSA-N 0 0 406.552 1.245 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000728081984 1076335123 /nfs/dbraw/zinc/33/51/23/1076335123.db2.gz WFGNWXCQTFNFTR-UHFFFAOYSA-N 0 0 409.439 1.992 20 10 HDCDRN COc1ccccc1CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000728082324 1076335432 /nfs/dbraw/zinc/33/54/32/1076335432.db2.gz YWFJQWHXJIXHDD-UHFFFAOYSA-N 0 0 419.503 1.730 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCn4cnnc4C3)cc2F)C[C@H](C)O1 ZINC000730006386 1076410398 /nfs/dbraw/zinc/41/03/98/1076410398.db2.gz WMVDNFAEOCRHCB-GASCZTMLSA-N 0 0 402.474 1.163 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000730583240 1076603016 /nfs/dbraw/zinc/60/30/16/1076603016.db2.gz LFVHQDCSWKNVDA-UHFFFAOYSA-N 0 0 400.570 1.273 20 10 HDCDRN CCOc1cc2c(cc1CNC=C1C(=O)NC(=S)N(CCOC)C1=O)O[C@@H](C)C2 ZINC000730970967 1076702071 /nfs/dbraw/zinc/70/20/71/1076702071.db2.gz JIDGEWDOCZOZFW-YGRGUWMTSA-N 0 0 419.503 1.272 20 10 HDCDRN CC(C)CN1C(=O)C(=CNCc2ccccc2CN2CCOCC2)C(=O)NC1=S ZINC000730978749 1076702950 /nfs/dbraw/zinc/70/29/50/1076702950.db2.gz NQXFAJKDOGCLBI-LDADJPATSA-N 0 0 416.547 1.392 20 10 HDCDRN CC1CCN(c2ccc(CNC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)cc2)CC1 ZINC000731015451 1076711565 /nfs/dbraw/zinc/71/15/65/1076711565.db2.gz XPOHSRWOLHLKSJ-UHFFFAOYSA-N 0 0 421.501 1.799 20 10 HDCDRN CCOC(=O)N(C)CCCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001626095925 1074092950 /nfs/dbraw/zinc/09/29/50/1074092950.db2.gz YFPJUZAHPFTWQN-UHFFFAOYSA-N 0 0 404.511 1.873 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](CO)OC[C@@H]3C)cc2F)C[C@H](C)O1 ZINC000766098013 1074761353 /nfs/dbraw/zinc/76/13/53/1074761353.db2.gz KBYDHJLNLXYAJH-LISAXSMJSA-N 0 0 409.502 1.137 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1F ZINC000731364346 1075310049 /nfs/dbraw/zinc/31/00/49/1075310049.db2.gz LUYYEEWJOHTDCF-UHFFFAOYSA-N 0 0 421.517 1.552 20 10 HDCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000731406606 1075332383 /nfs/dbraw/zinc/33/23/83/1075332383.db2.gz MUDOMFYTKMNXBN-INIZCTEOSA-N 0 0 418.471 1.600 20 10 HDCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCNC(=O)C(C)(C)C ZINC000804098284 1075399861 /nfs/dbraw/zinc/39/98/61/1075399861.db2.gz GIBMQKCGCLKDPI-UHFFFAOYSA-N 0 0 402.539 1.914 20 10 HDCDRN O=S(=O)(Cc1cccc(F)c1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000731673535 1075457324 /nfs/dbraw/zinc/45/73/24/1075457324.db2.gz VKKZMTQVDNPQCC-UHFFFAOYSA-N 0 0 412.508 1.680 20 10 HDCDRN CN(C)C(=O)CN1CCC(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000731756290 1075512220 /nfs/dbraw/zinc/51/22/20/1075512220.db2.gz ILFSIDSXVZKOPB-UHFFFAOYSA-N 0 0 421.517 1.014 20 10 HDCDRN COc1ccc(N2CCCN(C(=O)NC3CCN(CC(=O)N(C)C)CC3)CC2)cc1 ZINC000731761793 1075516725 /nfs/dbraw/zinc/51/67/25/1075516725.db2.gz FSABOWLIBNXSJF-UHFFFAOYSA-N 0 0 417.554 1.470 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 ZINC000785483802 1075517503 /nfs/dbraw/zinc/51/75/03/1075517503.db2.gz PKPMRJFEFVFOJP-UHFFFAOYSA-N 0 0 424.545 1.860 20 10 HDCDRN COc1ccc(N2CCN(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)cc1 ZINC000731899908 1075562779 /nfs/dbraw/zinc/56/27/79/1075562779.db2.gz WKIIYSVXHLAKSR-UHFFFAOYSA-N 0 0 408.455 1.836 20 10 HDCDRN O=C(COC(=O)C1=CC(=O)CS1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000731912839 1075568586 /nfs/dbraw/zinc/56/85/86/1075568586.db2.gz YNGIDDVYABOFDH-UHFFFAOYSA-N 0 0 424.500 1.285 20 10 HDCDRN CNS(=O)(=O)c1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc1 ZINC000731982863 1075583305 /nfs/dbraw/zinc/58/33/05/1075583305.db2.gz ZOXVVEPQLDLCGL-HNNXBMFYSA-N 0 0 403.508 1.304 20 10 HDCDRN COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000732097750 1075610852 /nfs/dbraw/zinc/61/08/52/1075610852.db2.gz JQOHYDNUFZKUMZ-UHFFFAOYSA-N 0 0 400.479 1.437 20 10 HDCDRN CN(CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ncnc2nc[nH]c21 ZINC000732272784 1075686167 /nfs/dbraw/zinc/68/61/67/1075686167.db2.gz BJNDKOGZWFJQEH-UHFFFAOYSA-N 0 0 409.494 1.314 20 10 HDCDRN CNc1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(Cl)n1 ZINC000732274684 1075686536 /nfs/dbraw/zinc/68/65/36/1075686536.db2.gz XCYKTPXOQNNOOI-UHFFFAOYSA-N 0 0 408.911 1.942 20 10 HDCDRN CS(=O)(=O)Nc1ccc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000732331595 1075705639 /nfs/dbraw/zinc/70/56/39/1075705639.db2.gz GPHGSSLJVSXAGJ-UHFFFAOYSA-N 0 0 414.461 1.492 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CN1C(=O)CCc3ccccc31)cc2=O ZINC000732376054 1075729677 /nfs/dbraw/zinc/72/96/77/1075729677.db2.gz JHYPJDHLIXDKHS-UHFFFAOYSA-N 0 0 424.413 1.634 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](N4CCCCC4=O)C3)CC2)cc1 ZINC000732812654 1075873049 /nfs/dbraw/zinc/87/30/49/1075873049.db2.gz PWCKWLPWFVSFQB-HXUWFJFHSA-N 0 0 414.550 1.821 20 10 HDCDRN COCCNC(=O)c1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc1 ZINC000732920820 1075914331 /nfs/dbraw/zinc/91/43/31/1075914331.db2.gz AMDUGASPDNNODR-GOSISDBHSA-N 0 0 411.506 1.772 20 10 HDCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCn2cc[nH]c(=O)c2=O)cc1 ZINC000733143923 1075974720 /nfs/dbraw/zinc/97/47/20/1075974720.db2.gz OBGPLYUBQSZADR-GOSISDBHSA-N 0 0 400.479 1.201 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2cccc3c2OCCO3)SC1=S ZINC000727176854 1076070471 /nfs/dbraw/zinc/07/04/71/1076070471.db2.gz QPHDDSURTFYTFK-FMIVXFBMSA-N 0 0 400.503 1.208 20 10 HDCDRN NC(=O)CN1C(=O)/C(=C\c2ccccc2I)SC1=S ZINC000727176541 1076070477 /nfs/dbraw/zinc/07/04/77/1076070477.db2.gz MCKIEMUCCPAAOO-WEVVVXLNSA-N 0 0 404.254 1.978 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S ZINC000727178024 1076070801 /nfs/dbraw/zinc/07/08/01/1076070801.db2.gz QQXILCUSXTXOKF-SOFGYWHQSA-N 0 0 411.324 1.793 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S ZINC000727177203 1076081479 /nfs/dbraw/zinc/08/14/79/1076081479.db2.gz DMPPLUQXLBTILD-UKTHLTGXSA-N 0 0 400.503 1.208 20 10 HDCDRN CN(CC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C(=O)C1CC1 ZINC000733512457 1076087760 /nfs/dbraw/zinc/08/77/60/1076087760.db2.gz PUBIHWDHHHEZGB-UHFFFAOYSA-N 0 0 420.421 1.812 20 10 HDCDRN CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000733645433 1076138482 /nfs/dbraw/zinc/13/84/82/1076138482.db2.gz JDARMBUKUHNQNQ-ZBFHGGJFSA-N 0 0 410.540 1.011 20 10 HDCDRN COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000733662859 1076144501 /nfs/dbraw/zinc/14/45/01/1076144501.db2.gz ICEKHGBVNSHQNX-UHFFFAOYSA-N 0 0 419.503 1.428 20 10 HDCDRN CN(CC(=O)NCCCSc1nccs1)C1=NS(=O)(=O)c2ccccc21 ZINC000733880491 1076237677 /nfs/dbraw/zinc/23/76/77/1076237677.db2.gz LJNSGPNGSMYJKP-UHFFFAOYSA-N 0 0 410.546 1.822 20 10 HDCDRN O=S(=O)(NCc1cccc(Br)c1O)N1CCC2(CC1)OCCO2 ZINC000766200755 1076263058 /nfs/dbraw/zinc/26/30/58/1076263058.db2.gz NOEKIWSSMPPYJL-UHFFFAOYSA-N 0 0 407.286 1.328 20 10 HDCDRN O=S(=O)(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc2c(c1)COC2 ZINC000727835362 1076265258 /nfs/dbraw/zinc/26/52/58/1076265258.db2.gz NQTAKSOUDJLIPQ-UHFFFAOYSA-N 0 0 422.528 1.430 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000734015416 1076290283 /nfs/dbraw/zinc/29/02/83/1076290283.db2.gz INMKGXZPBAQZNY-OWCLPIDISA-N 0 0 406.504 1.924 20 10 HDCDRN O=C(CN1CCCC[C@H]1C1OCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728173069 1076364416 /nfs/dbraw/zinc/36/44/16/1076364416.db2.gz SDNXAYFYRHURGA-IBGZPJMESA-N 0 0 407.486 1.506 20 10 HDCDRN O=C(CN1Cc2ccccc2C1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000729967713 1076399547 /nfs/dbraw/zinc/39/95/47/1076399547.db2.gz YKCYUBKKLGJVBS-UHFFFAOYSA-N 0 0 413.499 1.194 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc4c3ncnc4N)cc2F)C[C@H](C)O1 ZINC000730106215 1076439559 /nfs/dbraw/zinc/43/95/59/1076439559.db2.gz WKJHGUFCQBKWPH-BETUJISGSA-N 0 0 413.457 1.478 20 10 HDCDRN COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)Cc1cccc(C)c1 ZINC000730286661 1076514669 /nfs/dbraw/zinc/51/46/69/1076514669.db2.gz FIRIYPOSVSSSRE-OAHLLOKOSA-N 0 0 420.487 1.834 20 10 HDCDRN Cc1cc(C(=O)COC(=O)[C@H](O)C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000730881811 1076675922 /nfs/dbraw/zinc/67/59/22/1076675922.db2.gz YPFLCIGJVOANLL-GOSISDBHSA-N 0 0 406.460 1.238 20 10 HDCDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731014660 1076711530 /nfs/dbraw/zinc/71/15/30/1076711530.db2.gz DSCGOYRNCIKMAH-HXUWFJFHSA-N 0 0 400.523 1.666 20 10 HDCDRN CN(C)c1nnc(SCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000731158582 1076739314 /nfs/dbraw/zinc/73/93/14/1076739314.db2.gz ODTMLALUHLKNAF-UHFFFAOYSA-N 0 0 411.528 1.988 20 10 HDCDRN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000766047460 1074026651 /nfs/dbraw/zinc/02/66/51/1074026651.db2.gz JJKVERSGVYUMEZ-UHFFFAOYSA-N 0 0 402.425 1.906 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1F ZINC000731345752 1075311622 /nfs/dbraw/zinc/31/16/22/1075311622.db2.gz HUAMKPNGVFJKCF-UHFFFAOYSA-N 0 0 413.453 1.548 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1F ZINC000731346492 1075312014 /nfs/dbraw/zinc/31/20/14/1075312014.db2.gz WZPCQZJPTQLLOG-UHFFFAOYSA-N 0 0 411.503 1.309 20 10 HDCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1F ZINC000731356386 1075320143 /nfs/dbraw/zinc/32/01/43/1075320143.db2.gz FICRWHRTJHZTNM-UHFFFAOYSA-N 0 0 415.512 1.798 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)cc1F ZINC000731409291 1075333756 /nfs/dbraw/zinc/33/37/56/1075333756.db2.gz PIMHNNGZEFXPNC-UHFFFAOYSA-N 0 0 416.453 1.791 20 10 HDCDRN O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000804081109 1075348664 /nfs/dbraw/zinc/34/86/64/1075348664.db2.gz GRQMAFJFYIPMHV-UHFFFAOYSA-N 0 0 424.476 1.293 20 10 HDCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000731596354 1075404217 /nfs/dbraw/zinc/40/42/17/1075404217.db2.gz DNTKCORGUPCINK-UHFFFAOYSA-N 0 0 409.445 1.133 20 10 HDCDRN CS(=O)(=O)CCN1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000731681618 1075464650 /nfs/dbraw/zinc/46/46/50/1075464650.db2.gz FZZQHHIMJXIDAA-UHFFFAOYSA-N 0 0 408.568 1.595 20 10 HDCDRN C[C@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000731758488 1075513632 /nfs/dbraw/zinc/51/36/32/1075513632.db2.gz GGHTVDXQFKNESL-KRWDZBQOSA-N 0 0 417.554 1.436 20 10 HDCDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3=CC(=O)CS3)CC2)c1 ZINC000731863714 1075542578 /nfs/dbraw/zinc/54/25/78/1075542578.db2.gz BEBRMPHAHIPWGE-UHFFFAOYSA-N 0 0 412.489 1.618 20 10 HDCDRN Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1S(N)(=O)=O ZINC000731893507 1075549436 /nfs/dbraw/zinc/54/94/36/1075549436.db2.gz NQWVQKJCRFDRRR-UHFFFAOYSA-N 0 0 403.504 1.751 20 10 HDCDRN CNC(=O)c1cncc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000731965274 1075578375 /nfs/dbraw/zinc/57/83/75/1075578375.db2.gz WEJRVVIATAHTCV-QPJJXVBHSA-N 0 0 414.487 1.294 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000732054495 1075595538 /nfs/dbraw/zinc/59/55/38/1075595538.db2.gz VQXRRDOADAWCFU-FQEVSTJZSA-N 0 0 402.539 1.424 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000732241131 1075677632 /nfs/dbraw/zinc/67/76/32/1075677632.db2.gz BYIKIQPGELNREH-KRWDZBQOSA-N 0 0 404.486 1.959 20 10 HDCDRN O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H](O)c1cccnc1 ZINC000732275798 1075686572 /nfs/dbraw/zinc/68/65/72/1075686572.db2.gz BUFNRFVJLONXHF-HXUWFJFHSA-N 0 0 422.464 1.687 20 10 HDCDRN C[C@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000732359921 1075722736 /nfs/dbraw/zinc/72/27/36/1075722736.db2.gz BRKXOPUGXWBFMR-MGPLVRAMSA-N 0 0 407.382 1.014 20 10 HDCDRN CNC(=O)CCN(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000732447979 1075739939 /nfs/dbraw/zinc/73/99/39/1075739939.db2.gz MFOMKZVKRIGKSO-UHFFFAOYSA-N 0 0 402.417 1.820 20 10 HDCDRN O=C(Cn1cc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cn1)NC1CC1 ZINC000804224826 1075777487 /nfs/dbraw/zinc/77/74/87/1075777487.db2.gz VHCSUVMDHSJUAR-UHFFFAOYSA-N 0 0 403.826 1.490 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)C(=O)NCCCc3ccccc3)CC2)cc1 ZINC000732923995 1075914987 /nfs/dbraw/zinc/91/49/87/1075914987.db2.gz MIDNCZNJLIKOQC-UHFFFAOYSA-N 0 0 424.545 1.682 20 10 HDCDRN Cn1ncc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(Br)c1=O ZINC000732982042 1075937172 /nfs/dbraw/zinc/93/71/72/1075937172.db2.gz NNQCNOLSHKAQJO-CYBMUJFWSA-N 0 0 420.311 1.857 20 10 HDCDRN COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1O ZINC000733360121 1076051981 /nfs/dbraw/zinc/05/19/81/1076051981.db2.gz CACDCCCABUQIQU-UHFFFAOYSA-N 0 0 421.475 1.344 20 10 HDCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000727167664 1076067195 /nfs/dbraw/zinc/06/71/95/1076067195.db2.gz YMRWWZVTRQWGCJ-KRWDZBQOSA-N 0 0 403.523 1.905 20 10 HDCDRN NC(=O)CN1C(=O)/C(=C\c2cc(Br)c3c(c2)OCCO3)SC1=S ZINC000727175914 1076069692 /nfs/dbraw/zinc/06/96/92/1076069692.db2.gz HZWAYYYTFMAUPD-BJMVGYQFSA-N 0 0 415.290 1.907 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2cnn(Cc3ccccc3)c2)SC1=S ZINC000727176930 1076070254 /nfs/dbraw/zinc/07/02/54/1076070254.db2.gz TVTOWHAXOBFAQL-DHDCSXOGSA-N 0 0 422.557 1.682 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000727177894 1076070516 /nfs/dbraw/zinc/07/05/16/1076070516.db2.gz IKXUOFRHPSRXNC-LJQANCHMSA-N 0 0 416.522 1.304 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2cccc3c2OCCO3)SC1=S ZINC000727176855 1076070612 /nfs/dbraw/zinc/07/06/12/1076070612.db2.gz QPHDDSURTFYTFK-XFXZXTDPSA-N 0 0 400.503 1.208 20 10 HDCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(C)c1 ZINC000727227569 1076084856 /nfs/dbraw/zinc/08/48/56/1076084856.db2.gz LWYOUAFLRBYAEP-QGZVFWFLSA-N 0 0 424.501 1.960 20 10 HDCDRN CC(=O)NCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000733666203 1076146239 /nfs/dbraw/zinc/14/62/39/1076146239.db2.gz YMXGORQSMNZCCZ-MRXNPFEDSA-N 0 0 424.501 1.975 20 10 HDCDRN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cccc(OC)c2O)c1 ZINC000727763031 1076218401 /nfs/dbraw/zinc/21/84/01/1076218401.db2.gz ZRTQWKKCHMUOIW-UHFFFAOYSA-N 0 0 408.476 1.564 20 10 HDCDRN COC(=O)Cn1cc(S(=O)(=O)NCc2cccc(Br)c2O)cn1 ZINC000766200823 1076263298 /nfs/dbraw/zinc/26/32/98/1076263298.db2.gz OLDHDQIVYOHKNV-UHFFFAOYSA-N 0 0 404.242 1.003 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc4c(c3)COC4)cc2)C1 ZINC000727834439 1076264863 /nfs/dbraw/zinc/26/48/63/1076264863.db2.gz SNIFIIOVUZIURB-MRXNPFEDSA-N 0 0 415.515 1.897 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)CN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000727863127 1076275386 /nfs/dbraw/zinc/27/53/86/1076275386.db2.gz RDUCUUFCKFVPAE-UHFFFAOYSA-N 0 0 406.527 1.800 20 10 HDCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCCOC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000727909265 1076281703 /nfs/dbraw/zinc/28/17/03/1076281703.db2.gz SIPAYKNQWDCJNI-OAHLLOKOSA-N 0 0 420.487 1.894 20 10 HDCDRN CCS(=O)(=O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000727938044 1076291020 /nfs/dbraw/zinc/29/10/20/1076291020.db2.gz PPQSDRGZVAYTFW-OKILXGFUSA-N 0 0 401.504 1.673 20 10 HDCDRN Cc1nnnn1-c1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1F ZINC000727948290 1076293889 /nfs/dbraw/zinc/29/38/89/1076293889.db2.gz ZBWKQPDLQJKPAV-UHFFFAOYSA-N 0 0 415.404 1.570 20 10 HDCDRN COc1ccc(O)c(CNC(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000734064790 1076300374 /nfs/dbraw/zinc/30/03/74/1076300374.db2.gz LFZVDINOUKDQNK-UHFFFAOYSA-N 0 0 404.467 1.845 20 10 HDCDRN CN(C)C(=O)c1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 ZINC000728178180 1076365850 /nfs/dbraw/zinc/36/58/50/1076365850.db2.gz CPLYEUHGVABGTI-UHFFFAOYSA-N 0 0 401.488 1.876 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)NCCCN3C(=O)CCC3=O)cc2F)C[C@H](C)O1 ZINC000730024288 1076412438 /nfs/dbraw/zinc/41/24/38/1076412438.db2.gz DQNNSTPBDUMTBK-GJZGRUSLSA-N 0 0 420.485 1.778 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000730277905 1076519328 /nfs/dbraw/zinc/51/93/28/1076519328.db2.gz HAHNWBPCIWBXEU-UHFFFAOYSA-N 0 0 419.459 1.488 20 10 HDCDRN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000730811323 1076667086 /nfs/dbraw/zinc/66/70/86/1076667086.db2.gz JWLGUBKECCYNET-AWEZNQCLSA-N 0 0 421.475 1.246 20 10 HDCDRN COCCn1c(C)c(C)c2cc(C(=O)OCCN(C)S(=O)(=O)N(C)C)ccc21 ZINC000731144540 1076731471 /nfs/dbraw/zinc/73/14/71/1076731471.db2.gz HINSMSGZPOWRBG-UHFFFAOYSA-N 0 0 411.524 1.800 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCNC(=O)C3(C)C)cc2F)C[C@@H](C)O1 ZINC000731213986 1076747246 /nfs/dbraw/zinc/74/72/46/1076747246.db2.gz LXIUWUVPZQOOEA-HUUCEWRRSA-N 0 0 406.502 1.266 20 10 HDCDRN O=C(CN(CCCO)CC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000731213988 1076747293 /nfs/dbraw/zinc/74/72/93/1076747293.db2.gz LZTAEHWAKOQGOV-UHFFFAOYSA-N 0 0 407.408 1.525 20 10 HDCDRN CNC(=O)CN1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000140968205 1075146500 /nfs/dbraw/zinc/14/65/00/1075146500.db2.gz LLPAKOANTSWYPM-INIZCTEOSA-N 0 0 403.527 1.094 20 10 HDCDRN CCS(=O)(=O)N(C)C1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000731354993 1075318009 /nfs/dbraw/zinc/31/80/09/1075318009.db2.gz DGRARHCBKHISHM-UHFFFAOYSA-N 0 0 410.584 1.457 20 10 HDCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000731476990 1075370184 /nfs/dbraw/zinc/37/01/84/1075370184.db2.gz MTVXNDWXFJQYEV-AWEZNQCLSA-N 0 0 409.533 1.531 20 10 HDCDRN CN(C)c1ccc(CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1F ZINC000731686451 1075446650 /nfs/dbraw/zinc/44/66/50/1075446650.db2.gz WQWCUXYGMZQZFJ-UHFFFAOYSA-N 0 0 400.520 1.200 20 10 HDCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Cn2ccc(=O)n(C)c2=O)cc1 ZINC000732114296 1075635945 /nfs/dbraw/zinc/63/59/45/1075635945.db2.gz ANNOVOOGMNIUJA-UHFFFAOYSA-N 0 0 422.485 1.855 20 10 HDCDRN COc1ccc(NC(=O)COC(=O)C2=CC(=O)CS2)cc1S(=O)(=O)N(C)C ZINC000732353073 1075720266 /nfs/dbraw/zinc/72/02/66/1075720266.db2.gz LMDWBRSMKHTNKK-UHFFFAOYSA-N 0 0 414.461 1.508 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCn2cnnc2C1 ZINC000732446799 1075747682 /nfs/dbraw/zinc/74/76/82/1075747682.db2.gz DCTZATNPZOQPID-UHFFFAOYSA-N 0 0 410.400 1.859 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732572094 1075782408 /nfs/dbraw/zinc/78/24/08/1075782408.db2.gz OBZVNWCYOQTTKI-AWEZNQCLSA-N 0 0 418.391 1.625 20 10 HDCDRN C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000732702609 1075836368 /nfs/dbraw/zinc/83/63/68/1075836368.db2.gz USRLVODEAJBDOZ-ZDUSSCGKSA-N 0 0 401.504 1.361 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000732835645 1075882699 /nfs/dbraw/zinc/88/26/99/1075882699.db2.gz NTTQGTLZZVMFKA-AWEZNQCLSA-N 0 0 407.423 1.438 20 10 HDCDRN CCc1cc(N2CCC[C@@H](NC(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)ncn1 ZINC000732913993 1075911204 /nfs/dbraw/zinc/91/12/04/1075911204.db2.gz FGIMOTIFTNCMHL-OAHLLOKOSA-N 0 0 419.507 1.515 20 10 HDCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000733155786 1075988779 /nfs/dbraw/zinc/98/87/79/1075988779.db2.gz SNYMJCYOPITZID-UHFFFAOYSA-N 0 0 424.457 1.715 20 10 HDCDRN CCS(=O)(=O)C[C@H](C)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733197730 1076003594 /nfs/dbraw/zinc/00/35/94/1076003594.db2.gz RJRLTYYKFAJPJP-HNNXBMFYSA-N 0 0 415.531 1.034 20 10 HDCDRN CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733217243 1076013750 /nfs/dbraw/zinc/01/37/50/1076013750.db2.gz IZPAHFHNWITNOP-IYOUNJFTSA-N 0 0 415.531 1.629 20 10 HDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000727036666 1076030665 /nfs/dbraw/zinc/03/06/65/1076030665.db2.gz GNYSXHNATIIPHT-UHFFFAOYSA-N 0 0 420.473 1.701 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)CC2)cc1 ZINC000727035986 1076030982 /nfs/dbraw/zinc/03/09/82/1076030982.db2.gz XTKQTGDHUGEEJW-UHFFFAOYSA-N 0 0 420.473 2.000 20 10 HDCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=S)NCCNS(C)(=O)=O)cc1 ZINC000727068413 1076037600 /nfs/dbraw/zinc/03/76/00/1076037600.db2.gz GFEDXSYEDVWPMI-KRWDZBQOSA-N 0 0 414.597 1.157 20 10 HDCDRN COc1cc(Br)c(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc1O ZINC000727175828 1076069755 /nfs/dbraw/zinc/06/97/55/1076069755.db2.gz AURBDISNRZSFRG-XCVCLJGOSA-N 0 0 403.279 1.850 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S ZINC000727177201 1076081450 /nfs/dbraw/zinc/08/14/50/1076081450.db2.gz DMPPLUQXLBTILD-LCYFTJDESA-N 0 0 400.503 1.208 20 10 HDCDRN CCOc1ccc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1OC ZINC000727178101 1076081704 /nfs/dbraw/zinc/08/17/04/1076081704.db2.gz RPGINNWKDRROFX-GXDHUFHOSA-N 0 0 416.546 1.844 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)Cn1nc(C)c(Cl)c1C)cc2=O ZINC000733518239 1076093428 /nfs/dbraw/zinc/09/34/28/1076093428.db2.gz FLPAYZWBYLZBCB-UHFFFAOYSA-N 0 0 407.814 1.822 20 10 HDCDRN CC(C)(C)OC(=O)N(CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 ZINC000727487530 1076142706 /nfs/dbraw/zinc/14/27/06/1076142706.db2.gz OOXFKXIWMCHPRI-UHFFFAOYSA-N 0 0 413.496 1.893 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCN(Cc3cscn3)CC2)c1 ZINC000727489124 1076143019 /nfs/dbraw/zinc/14/30/19/1076143019.db2.gz QVMWILQRAVXFIU-UHFFFAOYSA-N 0 0 410.521 1.568 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 ZINC000734015414 1076290412 /nfs/dbraw/zinc/29/04/12/1076290412.db2.gz INMKGXZPBAQZNY-JYJNAYRXSA-N 0 0 406.504 1.924 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1 ZINC000734017333 1076290979 /nfs/dbraw/zinc/29/09/79/1076290979.db2.gz DCNDCBVFVLPGOC-AWEZNQCLSA-N 0 0 422.507 1.458 20 10 HDCDRN COCCN1C(=O)c2ccc(C(=O)NCc3cc(OC)ccc3O)cc2S1(=O)=O ZINC000734017297 1076291038 /nfs/dbraw/zinc/29/10/38/1076291038.db2.gz BCIKWQFZRFOPGQ-UHFFFAOYSA-N 0 0 420.443 1.122 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)c1 ZINC000734072506 1076301520 /nfs/dbraw/zinc/30/15/20/1076301520.db2.gz DFAVSLBIDBBHII-UHFFFAOYSA-N 0 0 403.410 1.631 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(OCc3noc(C)n3)cc2)c1 ZINC000734072585 1076301880 /nfs/dbraw/zinc/30/18/80/1076301880.db2.gz ILNAIUZSISBIMS-UHFFFAOYSA-N 0 0 412.402 1.926 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)NCCCN3CCCCC3=O)CC2)cc1 ZINC000730122174 1076464924 /nfs/dbraw/zinc/46/49/24/1076464924.db2.gz CHCWCYZWZNFDKK-UHFFFAOYSA-N 0 0 417.554 1.519 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCc4ccccc4[C@@H]3C(N)=O)CC2)cc1 ZINC000730807934 1076666177 /nfs/dbraw/zinc/66/61/77/1076666177.db2.gz CGGCWLFLAWPXQI-JOCHJYFZSA-N 0 0 408.502 1.429 20 10 HDCDRN CC1CCN(c2ccc(CNC(=O)CNS(=O)(=O)c3cnn(C)c3)cc2)CC1 ZINC000731015334 1076711577 /nfs/dbraw/zinc/71/15/77/1076711577.db2.gz OHPCGIGSWPYBMG-UHFFFAOYSA-N 0 0 405.524 1.251 20 10 HDCDRN CCN(C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1)S(C)(=O)=O ZINC000731359325 1075320602 /nfs/dbraw/zinc/32/06/02/1075320602.db2.gz IOKHYMZAKMACSA-UHFFFAOYSA-N 0 0 424.567 1.479 20 10 HDCDRN CCS(=O)(=O)N(C)C1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000731359618 1075320605 /nfs/dbraw/zinc/32/06/05/1075320605.db2.gz MVJSVQQWYHDCTQ-UHFFFAOYSA-N 0 0 424.567 1.479 20 10 HDCDRN Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000731496957 1075368350 /nfs/dbraw/zinc/36/83/50/1075368350.db2.gz ZIPIVPWHWTXJPC-QFIPXVFZSA-N 0 0 420.517 1.498 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)cc1 ZINC000731501331 1075368629 /nfs/dbraw/zinc/36/86/29/1075368629.db2.gz PLXAVIDSKSVKQV-UHFFFAOYSA-N 0 0 412.475 1.436 20 10 HDCDRN O=C(NCCS(=O)(=O)NCC1CCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000731683579 1075467086 /nfs/dbraw/zinc/46/70/86/1075467086.db2.gz FQDZNAMETCDLNK-UHFFFAOYSA-N 0 0 410.540 1.042 20 10 HDCDRN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1=O ZINC000731856105 1075538488 /nfs/dbraw/zinc/53/84/88/1075538488.db2.gz JUYNISVSYNIWRW-IERDGZPVSA-N 0 0 401.463 1.620 20 10 HDCDRN COc1ccc(NC(=O)CN(C)Cc2ccccc2O)cc1S(=O)(=O)N(C)C ZINC000731843556 1075547422 /nfs/dbraw/zinc/54/74/22/1075547422.db2.gz QPVYQTZHVWTOCW-UHFFFAOYSA-N 0 0 407.492 1.722 20 10 HDCDRN Cc1cc(C(=O)NCC(=O)NCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1 ZINC000731888351 1075556630 /nfs/dbraw/zinc/55/66/30/1075556630.db2.gz VMBLQXLQVHEJAK-UHFFFAOYSA-N 0 0 418.925 1.926 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3c4ccccc4CCC3=O)cc2)C1 ZINC000731976496 1075581713 /nfs/dbraw/zinc/58/17/13/1075581713.db2.gz DRARIPXZEMLECW-IBGZPJMESA-N 0 0 420.513 1.984 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCn3cccn3)cc2F)C[C@H](C)O1 ZINC000732209797 1075666345 /nfs/dbraw/zinc/66/63/45/1075666345.db2.gz SRIMTAMZEZQKBC-CALCHBBNSA-N 0 0 403.502 1.884 20 10 HDCDRN CN(CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncnc2nc[nH]c21 ZINC000732275130 1075686551 /nfs/dbraw/zinc/68/65/51/1075686551.db2.gz YRCNTEXWIJMKMG-UHFFFAOYSA-N 0 0 413.457 1.206 20 10 HDCDRN C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000141682726 1075686805 /nfs/dbraw/zinc/68/68/05/1075686805.db2.gz RTCVTNUKZOCBBU-ZDUSSCGKSA-N 0 0 414.437 1.577 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCNC(=O)c2ccc(F)cc2)c1 ZINC000732291526 1075700712 /nfs/dbraw/zinc/70/07/12/1075700712.db2.gz CPVUXMHCQFBQIF-UHFFFAOYSA-N 0 0 409.439 1.453 20 10 HDCDRN NC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1F ZINC000732431682 1075743807 /nfs/dbraw/zinc/74/38/07/1075743807.db2.gz BZQAQCJWBDYCGY-CQSZACIVSA-N 0 0 413.453 1.948 20 10 HDCDRN CN1CCCc2cc(CNC(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)ccc21 ZINC000732457847 1075749436 /nfs/dbraw/zinc/74/94/36/1075749436.db2.gz UUXMJMPNCYSLLS-GOSISDBHSA-N 0 0 424.567 1.357 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732572097 1075782389 /nfs/dbraw/zinc/78/23/89/1075782389.db2.gz OBZVNWCYOQTTKI-CQSZACIVSA-N 0 0 418.391 1.625 20 10 HDCDRN COCCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000732808218 1075883012 /nfs/dbraw/zinc/88/30/12/1075883012.db2.gz JHBSWIHUUZKKNH-UHFFFAOYSA-N 0 0 407.408 1.789 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCN3CCSCC3)cc2)C1 ZINC000732887899 1075893555 /nfs/dbraw/zinc/89/35/55/1075893555.db2.gz KQESUGPGCHLYFK-KRWDZBQOSA-N 0 0 405.568 1.236 20 10 HDCDRN COc1ccccc1NCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000733135846 1075981711 /nfs/dbraw/zinc/98/17/11/1075981711.db2.gz JJPXFCCTOXCMGM-UHFFFAOYSA-N 0 0 403.504 1.658 20 10 HDCDRN CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000733217241 1076013561 /nfs/dbraw/zinc/01/35/61/1076013561.db2.gz IZPAHFHNWITNOP-HBUWYVDXSA-N 0 0 415.531 1.629 20 10 HDCDRN COCCn1c(C)c(C)c2cc(C(=O)N(CCO)CCN3CCOCC3)ccc21 ZINC000496095100 1076027013 /nfs/dbraw/zinc/02/70/13/1076027013.db2.gz YLYACMBRPNENFN-UHFFFAOYSA-N 0 0 403.523 1.671 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN([C@@H](C)CS(C)(=O)=O)C3CC3)CC2)cc1 ZINC000733310836 1076035545 /nfs/dbraw/zinc/03/55/45/1076035545.db2.gz LNZPPWZAWTUCGY-INIZCTEOSA-N 0 0 409.552 1.241 20 10 HDCDRN COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)Cc1ccc(O)cc1 ZINC000733362454 1076053206 /nfs/dbraw/zinc/05/32/06/1076053206.db2.gz LVDPIDZVWOJCNH-ZDUSSCGKSA-N 0 0 422.459 1.231 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2cnn(-c3ccccc3)c2)SC1=S ZINC000727176510 1076070446 /nfs/dbraw/zinc/07/04/46/1076070446.db2.gz LGNFERKFCIPLMF-NTEUORMPSA-N 0 0 408.530 1.623 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2cc3c(c(Cl)c2)OCO3)SC1=S ZINC000727177070 1076070635 /nfs/dbraw/zinc/07/06/35/1076070635.db2.gz BLRXOYQRTZMUGY-WDZFZDKYSA-N 0 0 420.921 1.819 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2ccc(-n3ccnc3)cc2)SC1=S ZINC000727178390 1076072838 /nfs/dbraw/zinc/07/28/38/1076072838.db2.gz WHNFRCBAUBFQHE-GXDHUFHOSA-N 0 0 408.530 1.623 20 10 HDCDRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1 ZINC000727178611 1076072861 /nfs/dbraw/zinc/07/28/61/1076072861.db2.gz YEXMBBMHFLQUDY-XFXZXTDPSA-N 0 0 400.503 1.224 20 10 HDCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c(C)c1 ZINC000727227567 1076084887 /nfs/dbraw/zinc/08/48/87/1076084887.db2.gz LWYOUAFLRBYAEP-KRWDZBQOSA-N 0 0 424.501 1.960 20 10 HDCDRN NS(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc(N3CCOCC3)c(F)c1)C(=O)N2 ZINC000727266642 1076090213 /nfs/dbraw/zinc/09/02/13/1076090213.db2.gz BNZRSBVQPXJRJM-DHDCSXOGSA-N 0 0 403.435 1.802 20 10 HDCDRN Cc1occc1-c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n(CCO)n1 ZINC000727486916 1076141732 /nfs/dbraw/zinc/14/17/32/1076141732.db2.gz RRJVQBRZUBFOPR-UHFFFAOYSA-N 0 0 420.447 1.773 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000727617216 1076184826 /nfs/dbraw/zinc/18/48/26/1076184826.db2.gz TUVSQQDFLDCYTE-UHFFFAOYSA-N 0 0 405.458 1.964 20 10 HDCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1CCC2(CC1)NC(=O)NC2=O ZINC000727768134 1076221691 /nfs/dbraw/zinc/22/16/91/1076221691.db2.gz UDERFWKUSAKXBN-UHFFFAOYSA-N 0 0 402.520 1.624 20 10 HDCDRN CCN(CC)S(=O)(=O)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000733893084 1076255203 /nfs/dbraw/zinc/25/52/03/1076255203.db2.gz WODNKTYCWIWXQJ-IBGZPJMESA-N 0 0 411.568 1.932 20 10 HDCDRN O=S(=O)(NCc1cccc(Br)c1O)c1cnn([C@@H]2CCOC2)c1 ZINC000766201180 1076264222 /nfs/dbraw/zinc/26/42/22/1076264222.db2.gz PDKJHZXPTVZTNJ-LLVKDONJSA-N 0 0 402.270 1.791 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 ZINC000734015411 1076290272 /nfs/dbraw/zinc/29/02/72/1076290272.db2.gz IKNJJMMGWYQSLK-UHFFFAOYSA-N 0 0 405.476 1.513 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)c1 ZINC000734018303 1076291297 /nfs/dbraw/zinc/29/12/97/1076291297.db2.gz MMPWGKVLNDKEFM-UHFFFAOYSA-N 0 0 407.386 1.732 20 10 HDCDRN COc1ccc(O)c(CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000734064578 1076300317 /nfs/dbraw/zinc/30/03/17/1076300317.db2.gz GHZYVXFDKGLTTF-UHFFFAOYSA-N 0 0 413.883 1.832 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000734072848 1076301501 /nfs/dbraw/zinc/30/15/01/1076301501.db2.gz QJHZITDQOWOGAR-UHFFFAOYSA-N 0 0 401.419 1.123 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)c1 ZINC000734072734 1076301551 /nfs/dbraw/zinc/30/15/51/1076301551.db2.gz PVLYLMHWXKJHOH-UHFFFAOYSA-N 0 0 411.414 1.305 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000734072925 1076301914 /nfs/dbraw/zinc/30/19/14/1076301914.db2.gz VHPZYABPZQKJAY-UHFFFAOYSA-N 0 0 410.430 1.454 20 10 HDCDRN CC(C)(C)NC(=O)CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000728064375 1076314906 /nfs/dbraw/zinc/31/49/06/1076314906.db2.gz FDZPHAIAPRRPAH-MRXNPFEDSA-N 0 0 403.527 1.492 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)CN3Cc4ccccc4C3=O)CC2)cc1 ZINC000730052958 1076428301 /nfs/dbraw/zinc/42/83/01/1076428301.db2.gz UFTZOJQSFDGELP-UHFFFAOYSA-N 0 0 423.469 1.543 20 10 HDCDRN CNC(=O)CN1CCC(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000731050903 1076713978 /nfs/dbraw/zinc/71/39/78/1076713978.db2.gz QMCUFBSROHGBDS-UHFFFAOYSA-N 0 0 401.555 1.933 20 10 HDCDRN CC(C)[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000731213981 1076747267 /nfs/dbraw/zinc/74/72/67/1076747267.db2.gz LDZRGEZBNDNWED-ZOCZFRKYSA-N 0 0 420.529 1.512 20 10 HDCDRN COc1cc(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc(OC)c1OC ZINC000785482697 1075345438 /nfs/dbraw/zinc/34/54/38/1075345438.db2.gz MJTCVVBPNCQQLB-UHFFFAOYSA-N 0 0 419.453 1.850 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)cc1 ZINC000804080106 1075347382 /nfs/dbraw/zinc/34/73/82/1075347382.db2.gz HCNOAQUIXPXJAW-UHFFFAOYSA-N 0 0 414.481 1.325 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1CCC2(CC1)NC(=O)NC2=O ZINC000731472106 1075358901 /nfs/dbraw/zinc/35/89/01/1075358901.db2.gz MQGKGWQCBQIBFW-UHFFFAOYSA-N 0 0 404.442 1.047 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCOC[C@H]3CCOC3)cc2)C1 ZINC000731686859 1075450272 /nfs/dbraw/zinc/45/02/72/1075450272.db2.gz CEPNVXLWGNKKET-ROUUACIJSA-N 0 0 404.511 1.241 20 10 HDCDRN CCNS(=O)(=O)CCNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000731759776 1075514923 /nfs/dbraw/zinc/51/49/23/1075514923.db2.gz RLORTRSKCFXAKZ-UHFFFAOYSA-N 0 0 408.524 1.997 20 10 HDCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000731809273 1075527370 /nfs/dbraw/zinc/52/73/70/1075527370.db2.gz SENOOSMCIOMSPX-UHFFFAOYSA-N 0 0 413.459 1.856 20 10 HDCDRN COCC[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O ZINC000804145980 1075545299 /nfs/dbraw/zinc/54/52/99/1075545299.db2.gz HWZIVLBUCQSRPD-OAHLLOKOSA-N 0 0 401.385 1.999 20 10 HDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000804145820 1075545387 /nfs/dbraw/zinc/54/53/87/1075545387.db2.gz DUTBWVWYNKSNKI-YVZNUBBCSA-N 0 0 408.501 2.000 20 10 HDCDRN Cc1cc(C(=O)NCC(=O)NCCN2CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000731888756 1075556994 /nfs/dbraw/zinc/55/69/94/1075556994.db2.gz ZYJGNJQUYDMJLN-UHFFFAOYSA-N 0 0 402.470 1.411 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](O)c3cccc(OC)c3)CC2)cc1 ZINC000731909569 1075567018 /nfs/dbraw/zinc/56/70/18/1075567018.db2.gz HGKOAAOVPCCUMI-NRFANRHFSA-N 0 0 414.458 1.629 20 10 HDCDRN Cc1cc(C(=O)CN(C)CCn2cccn2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000732209459 1075666861 /nfs/dbraw/zinc/66/68/61/1075666861.db2.gz LYZJGJYLWRCGMA-UHFFFAOYSA-N 0 0 415.519 1.753 20 10 HDCDRN CNC(=O)[C@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000732203359 1075675787 /nfs/dbraw/zinc/67/57/87/1075675787.db2.gz RDLILKLRNASYEK-DENIHFKCSA-N 0 0 411.502 1.977 20 10 HDCDRN C[C@@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000141700184 1075686899 /nfs/dbraw/zinc/68/68/99/1075686899.db2.gz JHHRTNWGJBJVFV-CYBMUJFWSA-N 0 0 414.437 1.577 20 10 HDCDRN CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000141686492 1075687009 /nfs/dbraw/zinc/68/70/09/1075687009.db2.gz AUSDEVQAYKISLT-HNNXBMFYSA-N 0 0 410.474 1.699 20 10 HDCDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3=CC(=O)CS3)CC2)c1 ZINC000732266692 1075689736 /nfs/dbraw/zinc/68/97/36/1075689736.db2.gz KFGNGVHQYVIOFQ-UHFFFAOYSA-N 0 0 416.502 1.449 20 10 HDCDRN Cc1cc(C(=O)COC(=O)CN2CC(=O)NC2=O)c(C)n1-c1ccc2c(c1)CCC2 ZINC000732358438 1075722676 /nfs/dbraw/zinc/72/26/76/1075722676.db2.gz ZCZYXOAQRLGAQY-UHFFFAOYSA-N 0 0 409.442 1.861 20 10 HDCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000732473988 1075756448 /nfs/dbraw/zinc/75/64/48/1075756448.db2.gz UQERZUCXZUNAAQ-ZFWWWQNUSA-N 0 0 415.512 1.250 20 10 HDCDRN CCCN(Cc1ccccc1O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000732474650 1075756727 /nfs/dbraw/zinc/75/67/27/1075756727.db2.gz RXAUWDRCCYWPQY-KRWDZBQOSA-N 0 0 413.540 1.802 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)NCCN3CCSCC3)CC2)cc1 ZINC000732888434 1075893492 /nfs/dbraw/zinc/89/34/92/1075893492.db2.gz VWURCZYDUWWJPR-UHFFFAOYSA-N 0 0 407.584 1.165 20 10 HDCDRN O=C(NCc1ccccc1O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000732913667 1075910505 /nfs/dbraw/zinc/91/05/05/1075910505.db2.gz CXHGPYMQGYJVQF-KRWDZBQOSA-N 0 0 412.494 1.487 20 10 HDCDRN O=C(CN(CCO)CCc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732984200 1075938069 /nfs/dbraw/zinc/93/80/69/1075938069.db2.gz ZXXUIWFEEWVJQE-UHFFFAOYSA-N 0 0 415.509 1.816 20 10 HDCDRN COc1ccc(N2CCN(CC(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)cc1 ZINC000727109716 1076046495 /nfs/dbraw/zinc/04/64/95/1076046495.db2.gz IGNPAXAFXQKNGN-UHFFFAOYSA-N 0 0 403.504 1.859 20 10 HDCDRN CC(C)(C)S(=O)(=O)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733343365 1076047363 /nfs/dbraw/zinc/04/73/63/1076047363.db2.gz OXYDIFQMBLUJQW-UHFFFAOYSA-N 0 0 401.504 1.675 20 10 HDCDRN NC(=O)CN1C(=O)/C(=C/c2cc3c(cc2Br)OCO3)SC1=S ZINC000727176388 1076070497 /nfs/dbraw/zinc/07/04/97/1076070497.db2.gz QPBWBPAJYLNLLG-SGAXSIHGSA-N 0 0 401.263 1.864 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2cnn(-c3ccccc3)c2)SC1=S ZINC000727176512 1076070536 /nfs/dbraw/zinc/07/05/36/1076070536.db2.gz LGNFERKFCIPLMF-ZROIWOOFSA-N 0 0 408.530 1.623 20 10 HDCDRN COc1cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc2c1OCO2 ZINC000727176762 1076070621 /nfs/dbraw/zinc/07/06/21/1076070621.db2.gz OKOPMPHPBHVRHQ-KPKJPENVSA-N 0 0 416.502 1.174 20 10 HDCDRN COc1cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc(OC)c1 ZINC000727178293 1076073138 /nfs/dbraw/zinc/07/31/38/1076073138.db2.gz UOPBZHDKBXUPGZ-JYRVWZFOSA-N 0 0 402.519 1.454 20 10 HDCDRN CCCCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000727241549 1076088513 /nfs/dbraw/zinc/08/85/13/1076088513.db2.gz CKGJBUZDQDEGJS-UHFFFAOYSA-N 0 0 403.571 1.245 20 10 HDCDRN CCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727307694 1076092349 /nfs/dbraw/zinc/09/23/49/1076092349.db2.gz DNIHWETZCNLQEY-AEFFLSMTSA-N 0 0 418.563 1.706 20 10 HDCDRN O=C(COC(=O)CCc1cscn1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733528302 1076094913 /nfs/dbraw/zinc/09/49/13/1076094913.db2.gz SPAISRXHXRJHHD-UHFFFAOYSA-N 0 0 407.467 1.911 20 10 HDCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000727391541 1076111302 /nfs/dbraw/zinc/11/13/02/1076111302.db2.gz IPVLEIPOGTXNCH-UHFFFAOYSA-N 0 0 407.478 1.374 20 10 HDCDRN Cc1nn(C)cc1C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733608507 1076125955 /nfs/dbraw/zinc/12/59/55/1076125955.db2.gz LEMXKIPDVFGFDS-OKILXGFUSA-N 0 0 418.469 1.954 20 10 HDCDRN CCOC(=O)c1cnn(C)c1NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000733610903 1076127024 /nfs/dbraw/zinc/12/70/24/1076127024.db2.gz PZCCRXXZADVHIO-UHFFFAOYSA-N 0 0 415.494 1.504 20 10 HDCDRN O=C(CN(Cc1ccccc1O)C1CCCC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000733613560 1076129713 /nfs/dbraw/zinc/12/97/13/1076129713.db2.gz BVXSFCICVPDTCW-OAHLLOKOSA-N 0 0 409.508 1.150 20 10 HDCDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000733643969 1076137357 /nfs/dbraw/zinc/13/73/57/1076137357.db2.gz CQULZSXXKFAYRA-RDJZCZTQSA-N 0 0 424.567 1.353 20 10 HDCDRN O=C(CNC(=O)c1ccc(O)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000727483373 1076140605 /nfs/dbraw/zinc/14/06/05/1076140605.db2.gz HTPNQUYTFJMWSO-UHFFFAOYSA-N 0 0 401.438 1.539 20 10 HDCDRN COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)c1O ZINC000727760914 1076217688 /nfs/dbraw/zinc/21/76/88/1076217688.db2.gz DCKUYVONOHJRAY-UHFFFAOYSA-N 0 0 424.475 1.403 20 10 HDCDRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1c1cccnc1 ZINC000733921646 1076271065 /nfs/dbraw/zinc/27/10/65/1076271065.db2.gz DXYWDAISLJZOES-UTKZUKDTSA-N 0 0 412.465 1.893 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)CCc2nc(-c3ncccn3)no2)cc1 ZINC000727902164 1076280016 /nfs/dbraw/zinc/28/00/16/1076280016.db2.gz DTAZMPRKILRYDT-UHFFFAOYSA-N 0 0 424.461 1.727 20 10 HDCDRN CN(CCN1CCOCC1)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000733995792 1076286814 /nfs/dbraw/zinc/28/68/14/1076286814.db2.gz MHKFIJSFYXGECM-UHFFFAOYSA-N 0 0 407.470 1.665 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000734018936 1076291309 /nfs/dbraw/zinc/29/13/09/1076291309.db2.gz PKINUUXEMLKRRK-UHFFFAOYSA-N 0 0 422.459 1.157 20 10 HDCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000734059009 1076299988 /nfs/dbraw/zinc/29/99/88/1076299988.db2.gz GOYSZXWROQKCDC-UHFFFAOYSA-N 0 0 421.475 1.743 20 10 HDCDRN COc1ccc(O)c(CNC(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000734066964 1076300552 /nfs/dbraw/zinc/30/05/52/1076300552.db2.gz JGLOTRICTGUXBP-UHFFFAOYSA-N 0 0 408.499 1.753 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(Cl)c2-n2cncn2)c1 ZINC000734072732 1076301620 /nfs/dbraw/zinc/30/16/20/1076301620.db2.gz PTTJKVFEYZCPTN-UHFFFAOYSA-N 0 0 401.810 1.890 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000734074553 1076302649 /nfs/dbraw/zinc/30/26/49/1076302649.db2.gz RZDJAJODNKVKEV-UHFFFAOYSA-N 0 0 413.430 1.128 20 10 HDCDRN C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CCS(C)(=O)=O ZINC000728055063 1076322809 /nfs/dbraw/zinc/32/28/09/1076322809.db2.gz XVXATQJJELFRBQ-ZDUSSCGKSA-N 0 0 414.483 1.765 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCSCC4)C3=O)CC2)cc1 ZINC000728176751 1076365370 /nfs/dbraw/zinc/36/53/70/1076365370.db2.gz ZIKVYFQDQKXONC-UHFFFAOYSA-N 0 0 418.519 1.161 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CSc3nnnn3C3CCOCC3)CC2)cc1 ZINC000729936657 1076395944 /nfs/dbraw/zinc/39/59/44/1076395944.db2.gz BBUQVPITCKQPOD-UHFFFAOYSA-N 0 0 418.523 1.474 20 10 HDCDRN C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCn2cnnc2C1 ZINC000730006619 1076410476 /nfs/dbraw/zinc/41/04/76/1076410476.db2.gz RDZICBYGZTXZFS-CYBMUJFWSA-N 0 0 401.426 1.896 20 10 HDCDRN C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1CCn2cnnc2C1 ZINC000730006620 1076410577 /nfs/dbraw/zinc/41/05/77/1076410577.db2.gz RDZICBYGZTXZFS-ZDUSSCGKSA-N 0 0 401.426 1.896 20 10 HDCDRN CNC(=O)C1(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CCC1 ZINC000730049398 1076422481 /nfs/dbraw/zinc/42/24/81/1076422481.db2.gz UFGXFCBEJBBJIU-UHFFFAOYSA-N 0 0 420.421 1.860 20 10 HDCDRN Cn1ccnc1CN1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000730064584 1076433476 /nfs/dbraw/zinc/43/34/76/1076433476.db2.gz IMNFGBHEFLEXEF-UHFFFAOYSA-N 0 0 416.501 1.423 20 10 HDCDRN O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@H]1CCCOC1 ZINC000730066654 1076433924 /nfs/dbraw/zinc/43/39/24/1076433924.db2.gz MOQMGCLLGWVKCN-KRWDZBQOSA-N 0 0 414.485 1.921 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@H](NC(=O)OC(C)(C)C)C1)cc2=O ZINC000730263424 1076505006 /nfs/dbraw/zinc/50/50/06/1076505006.db2.gz FZHNTOHDDAUUGZ-LBPRGKRZSA-N 0 0 405.455 1.711 20 10 HDCDRN Cc1cc(C(=O)NCCS(=O)(=O)N2CCSCC2)c(C)n1-c1ccccn1 ZINC000730550645 1076599398 /nfs/dbraw/zinc/59/93/98/1076599398.db2.gz BCBPOZIRMOQTLI-UHFFFAOYSA-N 0 0 408.549 1.598 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)NCC3CCC3)CC2)cc1 ZINC000731685904 1075448503 /nfs/dbraw/zinc/44/85/03/1075448503.db2.gz KZNAIVHOQINMCZ-UHFFFAOYSA-N 0 0 424.567 1.683 20 10 HDCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)cc1F ZINC000731809556 1075527513 /nfs/dbraw/zinc/52/75/13/1075527513.db2.gz XQQGWUMGMOVGDG-UHFFFAOYSA-N 0 0 416.438 1.233 20 10 HDCDRN CN(CCNC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)CC(F)(F)F ZINC000804137942 1075527677 /nfs/dbraw/zinc/52/76/77/1075527677.db2.gz JRRSXKRKLWSJPJ-OAHLLOKOSA-N 0 0 417.428 1.510 20 10 HDCDRN Nc1c(C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000731845389 1075529915 /nfs/dbraw/zinc/52/99/15/1075529915.db2.gz ZLWHQZPURGSMOQ-OAHLLOKOSA-N 0 0 414.462 1.436 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3[C@H](O)C(F)(F)F)CC2)cc1 ZINC000731843281 1075547799 /nfs/dbraw/zinc/54/77/99/1075547799.db2.gz NZGAVKFPCYNYMO-WMZOPIPTSA-N 0 0 401.429 1.731 20 10 HDCDRN O=C(CN1CCC(=O)NC1=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000731974235 1075580944 /nfs/dbraw/zinc/58/09/44/1075580944.db2.gz DBOXEHCZTSRKPQ-UHFFFAOYSA-N 0 0 414.384 1.100 20 10 HDCDRN COc1ccc(N2CCN(C(=O)c3sccc3S(=O)(=O)N(C)C)CC2)cc1 ZINC000731956932 1075584050 /nfs/dbraw/zinc/58/40/50/1075584050.db2.gz MPOMWTHMLBLXQU-UHFFFAOYSA-N 0 0 409.533 1.969 20 10 HDCDRN Cc1ccccc1CS(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000732219992 1075672880 /nfs/dbraw/zinc/67/28/80/1075672880.db2.gz RDKFMYIRJCTVEG-UHFFFAOYSA-N 0 0 408.545 1.849 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000732291768 1075700603 /nfs/dbraw/zinc/70/06/03/1075700603.db2.gz NNSNYSMRWNPLBV-CQSZACIVSA-N 0 0 423.878 1.952 20 10 HDCDRN C[C@H](CS(C)(=O)=O)N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732667543 1075825062 /nfs/dbraw/zinc/82/50/62/1075825062.db2.gz PRYLLPNFULLJBZ-CYBMUJFWSA-N 0 0 414.483 1.765 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H]1CCN(CC(F)(F)F)C1=O)cc2=O ZINC000732813952 1075875876 /nfs/dbraw/zinc/87/58/76/1075875876.db2.gz PXQRIDQTYLRWOF-LBPRGKRZSA-N 0 0 415.372 1.207 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCN3CCSCC3)cc2)C1 ZINC000732887903 1075893581 /nfs/dbraw/zinc/89/35/81/1075893581.db2.gz KQESUGPGCHLYFK-QGZVFWFLSA-N 0 0 405.568 1.236 20 10 HDCDRN COCCNC(=O)c1ccc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc1 ZINC000732920822 1075914429 /nfs/dbraw/zinc/91/44/29/1075914429.db2.gz AMDUGASPDNNODR-SFHVURJKSA-N 0 0 411.506 1.772 20 10 HDCDRN CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H](C)CS(C)(=O)=O ZINC000733039786 1075961836 /nfs/dbraw/zinc/96/18/36/1075961836.db2.gz RRFRZYVLNXGNFH-NVXWUHKLSA-N 0 0 424.567 1.353 20 10 HDCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000727167665 1076067581 /nfs/dbraw/zinc/06/75/81/1076067581.db2.gz YMRWWZVTRQWGCJ-QGZVFWFLSA-N 0 0 403.523 1.905 20 10 HDCDRN COc1cc(Br)c(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc1O ZINC000727175827 1076069831 /nfs/dbraw/zinc/06/98/31/1076069831.db2.gz AURBDISNRZSFRG-KMKOMSMNSA-N 0 0 403.279 1.850 20 10 HDCDRN COc1cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc2c1OCO2 ZINC000727176761 1076070107 /nfs/dbraw/zinc/07/01/07/1076070107.db2.gz OKOPMPHPBHVRHQ-GHXNOFRVSA-N 0 0 416.502 1.174 20 10 HDCDRN COc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc(Br)c1O ZINC000727176358 1076070642 /nfs/dbraw/zinc/07/06/42/1076070642.db2.gz KBUIVJTZJQZULW-WTKPLQERSA-N 0 0 403.279 1.850 20 10 HDCDRN O=C(COC(=O)COC[C@H]1CCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733596995 1076122273 /nfs/dbraw/zinc/12/22/73/1076122273.db2.gz WEFGRJGENUJDBB-MRXNPFEDSA-N 0 0 410.442 1.017 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COc3nsnc3N3CCOCC3)CC2)cc1 ZINC000727470211 1076137017 /nfs/dbraw/zinc/13/70/17/1076137017.db2.gz JFPHCEILEWSDQK-UHFFFAOYSA-N 0 0 419.507 1.111 20 10 HDCDRN COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1O ZINC000727762998 1076218315 /nfs/dbraw/zinc/21/83/15/1076218315.db2.gz VWYUULRWYDASPN-HNNXBMFYSA-N 0 0 423.491 1.723 20 10 HDCDRN O=C1COc2ccc(S(=O)(=O)NCc3cccc(Br)c3O)cc2N1 ZINC000766199491 1076262758 /nfs/dbraw/zinc/26/27/58/1076262758.db2.gz DFAVHZCOYKJHGF-UHFFFAOYSA-N 0 0 413.249 1.964 20 10 HDCDRN CN(C)c1ccc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1F ZINC000727860382 1076274575 /nfs/dbraw/zinc/27/45/75/1076274575.db2.gz ASIRDKURVFSJJJ-LCYFTJDESA-N 0 0 403.526 1.642 20 10 HDCDRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3cc(OC)ccc3O)C2=O)cc1 ZINC000734018908 1076291253 /nfs/dbraw/zinc/29/12/53/1076291253.db2.gz MXOZGYZBDRVSOO-OAQYLSRUSA-N 0 0 413.430 1.493 20 10 HDCDRN O=C(Cn1c(=O)onc1-c1cccnc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728161581 1076351222 /nfs/dbraw/zinc/35/12/22/1076351222.db2.gz OPBJTDKOHUCENR-UHFFFAOYSA-N 0 0 413.409 1.190 20 10 HDCDRN COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)Cc1cccc(F)c1 ZINC000730035536 1076414290 /nfs/dbraw/zinc/41/42/90/1076414290.db2.gz PUMDCKRXZCJXST-ZDUSSCGKSA-N 0 0 424.450 1.665 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)N3CCN(Cc4cnn(C)c4)CC3)CC2)cc1 ZINC000730066757 1076433980 /nfs/dbraw/zinc/43/39/80/1076433980.db2.gz JDXZEOLSJRAYQJ-UHFFFAOYSA-N 0 0 412.538 1.925 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)N3CCN(Cc4nccn4C)CC3)CC2)cc1 ZINC000730067980 1076435389 /nfs/dbraw/zinc/43/53/89/1076435389.db2.gz YMVDNHFXLONLDK-UHFFFAOYSA-N 0 0 412.538 1.925 20 10 HDCDRN CN(C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H]1CCOC1 ZINC000730120636 1076464037 /nfs/dbraw/zinc/46/40/37/1076464037.db2.gz SHUIQQVRMJCAJB-QGZVFWFLSA-N 0 0 414.485 1.873 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000730263673 1076504584 /nfs/dbraw/zinc/50/45/84/1076504584.db2.gz IOGQYDGEIBDQOJ-QGZVFWFLSA-N 0 0 418.538 1.943 20 10 HDCDRN O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001320749159 1126170152 /nfs/dbraw/zinc/17/01/52/1126170152.db2.gz VHSKEIBMYLTKTM-OAQYLSRUSA-N 0 0 407.474 1.889 20 10 HDCDRN COC(=O)c1ccc(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 ZINC001626094937 1074086861 /nfs/dbraw/zinc/08/68/61/1074086861.db2.gz NFZIIYVINMVGNL-UHFFFAOYSA-N 0 0 410.474 1.429 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1F ZINC000731364202 1075309876 /nfs/dbraw/zinc/30/98/76/1075309876.db2.gz HXZNAMKIXZQPPR-UHFFFAOYSA-N 0 0 419.501 1.304 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1F ZINC000731345229 1075311661 /nfs/dbraw/zinc/31/16/61/1075311661.db2.gz HNUGYBWANKBQPS-GOSISDBHSA-N 0 0 420.529 1.469 20 10 HDCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000804081453 1075348230 /nfs/dbraw/zinc/34/82/30/1075348230.db2.gz NDWPDFXNRGKMDN-UHFFFAOYSA-N 0 0 415.465 1.745 20 10 HDCDRN NC(=O)CNC(=O)CN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000731473197 1075359109 /nfs/dbraw/zinc/35/91/09/1075359109.db2.gz JWYAXAOHTCQQJM-BJMVGYQFSA-N 0 0 414.306 1.252 20 10 HDCDRN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000731596614 1075405340 /nfs/dbraw/zinc/40/53/40/1075405340.db2.gz SNVWWHGVDICANL-UHFFFAOYSA-N 0 0 423.472 1.523 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1nc(C)n(-c3ccccc3)n1)cc2=O ZINC000731743301 1075490392 /nfs/dbraw/zinc/49/03/92/1075490392.db2.gz QBFYSUCGAABOTC-UHFFFAOYSA-N 0 0 422.401 1.858 20 10 HDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731761299 1075515382 /nfs/dbraw/zinc/51/53/82/1075515382.db2.gz DFKULMDHVVCJJE-UHFFFAOYSA-N 0 0 410.584 1.793 20 10 HDCDRN CCOC(=O)c1cnn(C)c1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000731844449 1075529337 /nfs/dbraw/zinc/52/93/37/1075529337.db2.gz IINLHYYQNFLZOC-INIZCTEOSA-N 0 0 416.478 1.922 20 10 HDCDRN COCC[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2C(F)(F)F)C1=O ZINC000804145978 1075545417 /nfs/dbraw/zinc/54/54/17/1075545417.db2.gz HWZIVLBUCQSRPD-HNNXBMFYSA-N 0 0 401.385 1.999 20 10 HDCDRN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000731865212 1075558454 /nfs/dbraw/zinc/55/84/54/1075558454.db2.gz JBINCNPPIPNURN-UHFFFAOYSA-N 0 0 409.489 1.592 20 10 HDCDRN CC(=O)NCCNC(=O)CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000731871047 1075560002 /nfs/dbraw/zinc/56/00/02/1075560002.db2.gz VCOJMOATFAGPPT-GASCZTMLSA-N 0 0 422.501 1.088 20 10 HDCDRN CNS(=O)(=O)c1ccc(NCCN2CCN(c3ccc(OC)cc3)CC2)nc1 ZINC000731997909 1075588424 /nfs/dbraw/zinc/58/84/24/1075588424.db2.gz OSURIPDNJIPJOL-UHFFFAOYSA-N 0 0 405.524 1.232 20 10 HDCDRN O=C1NC(=O)C2(CCC(N3C(=O)CN(Cc4cc(Cl)ccc4O)C3=O)CC2)N1 ZINC000804198613 1075650891 /nfs/dbraw/zinc/65/08/91/1075650891.db2.gz PBXZSJZILRCVPH-UHFFFAOYSA-N 0 0 406.826 1.331 20 10 HDCDRN O=C(CN1CCC[C@@H](N2CCCC2=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732212170 1075668801 /nfs/dbraw/zinc/66/88/01/1075668801.db2.gz OPTNNTRIJJAZTG-GOSISDBHSA-N 0 0 418.513 1.365 20 10 HDCDRN O=C(CN1CCCS(=O)(=O)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732212628 1075668922 /nfs/dbraw/zinc/66/89/22/1075668922.db2.gz QMZSTZWTDBETDQ-UHFFFAOYSA-N 0 0 412.467 1.521 20 10 HDCDRN CNC(=O)[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000732203365 1075675744 /nfs/dbraw/zinc/67/57/44/1075675744.db2.gz RDLILKLRNASYEK-UGKGYDQZSA-N 0 0 411.502 1.977 20 10 HDCDRN COC(=O)C1(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000732205654 1075676532 /nfs/dbraw/zinc/67/65/32/1075676532.db2.gz VVCQHDZJELFBNW-UHFFFAOYSA-N 0 0 407.486 1.744 20 10 HDCDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000732233400 1075685535 /nfs/dbraw/zinc/68/55/35/1075685535.db2.gz RPFHLFJOYSRBGD-KRWDZBQOSA-N 0 0 405.543 1.121 20 10 HDCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](N(C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000409610112 1075731699 /nfs/dbraw/zinc/73/16/99/1075731699.db2.gz ZCNLQTMCZGVQRV-INIZCTEOSA-N 0 0 423.521 1.980 20 10 HDCDRN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000732571916 1075782335 /nfs/dbraw/zinc/78/23/35/1075782335.db2.gz KKVNOWCYZQKMMZ-GOSISDBHSA-N 0 0 423.517 1.700 20 10 HDCDRN C[C@@H](CS(C)(=O)=O)N(C)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732667544 1075825080 /nfs/dbraw/zinc/82/50/80/1075825080.db2.gz PRYLLPNFULLJBZ-ZDUSSCGKSA-N 0 0 414.483 1.765 20 10 HDCDRN COCCn1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ccc1=O ZINC000732678348 1075830833 /nfs/dbraw/zinc/83/08/33/1075830833.db2.gz DNKAKAAYLUJQDG-LJQANCHMSA-N 0 0 414.506 1.777 20 10 HDCDRN CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000733039259 1075962094 /nfs/dbraw/zinc/96/20/94/1075962094.db2.gz XYNOAUNBVQRGBD-AWEZNQCLSA-N 0 0 415.531 1.751 20 10 HDCDRN CN(Cc1ccccc1O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000733041126 1075963117 /nfs/dbraw/zinc/96/31/17/1075963117.db2.gz QHSQDZDYKRGAJQ-UHFFFAOYSA-N 0 0 407.492 1.347 20 10 HDCDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000733344480 1076042658 /nfs/dbraw/zinc/04/26/58/1076042658.db2.gz BPGGUSBBVMMQBC-MAUKXSAKSA-N 0 0 410.540 1.307 20 10 HDCDRN Cc1ccc(CN(CC(=O)N2CCNC(=O)C2)c2ccc3c(c2)OCCO3)s1 ZINC000727150421 1076053465 /nfs/dbraw/zinc/05/34/65/1076053465.db2.gz QHNGBEPNXYDUOM-UHFFFAOYSA-N 0 0 401.488 1.793 20 10 HDCDRN NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000733369163 1076055709 /nfs/dbraw/zinc/05/57/09/1076055709.db2.gz KNKAZRQSIRFNGZ-UHFFFAOYSA-N 0 0 411.430 1.379 20 10 HDCDRN CCOc1cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)ccc1OC ZINC000727178598 1076072853 /nfs/dbraw/zinc/07/28/53/1076072853.db2.gz XMJYMGSFANRQJW-GXDHUFHOSA-N 0 0 416.546 1.844 20 10 HDCDRN COC(=O)c1cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)oc1C ZINC000727177358 1076081496 /nfs/dbraw/zinc/08/14/96/1076081496.db2.gz ZNHMAEJMQRWPBF-YRNVUSSQSA-N 0 0 404.491 1.125 20 10 HDCDRN Cc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N3CCC[C@H](C(N)=O)C3)cc1)CC2 ZINC000727225626 1076084429 /nfs/dbraw/zinc/08/44/29/1076084429.db2.gz HLPHPCZVCZTDMY-DLBZAZTESA-N 0 0 411.510 1.102 20 10 HDCDRN COc1ccc(N2CCN(CCCNS(=O)(=O)N(C)[C@@H](C)C3CC3)CC2)cc1 ZINC000727444816 1076123731 /nfs/dbraw/zinc/12/37/31/1076123731.db2.gz JYMRMSONWSQCQC-KRWDZBQOSA-N 0 0 410.584 1.772 20 10 HDCDRN CCn1cc(S(=O)(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000727444582 1076124142 /nfs/dbraw/zinc/12/41/42/1076124142.db2.gz JKKDCEXAVKQENA-UHFFFAOYSA-N 0 0 407.540 1.402 20 10 HDCDRN Cc1noc(CCCNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000727480009 1076130373 /nfs/dbraw/zinc/13/03/73/1076130373.db2.gz RMICUVYSTLZVED-INIZCTEOSA-N 0 0 400.483 1.512 20 10 HDCDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000733648182 1076140730 /nfs/dbraw/zinc/14/07/30/1076140730.db2.gz RVOWCYQNVBWQBP-VYDXJSESSA-N 0 0 424.567 1.351 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)NCCN3C(=O)CCC3=O)cc2F)C[C@H](C)O1 ZINC000733804132 1076209644 /nfs/dbraw/zinc/20/96/44/1076209644.db2.gz YENQKQGYYWELON-KBPBESRZSA-N 0 0 406.458 1.388 20 10 HDCDRN CCn1cc(CN(C)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000733849184 1076218666 /nfs/dbraw/zinc/21/86/66/1076218666.db2.gz VNDKFKCLOMDNHA-UHFFFAOYSA-N 0 0 400.527 1.875 20 10 HDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 ZINC000733887530 1076250582 /nfs/dbraw/zinc/25/05/82/1076250582.db2.gz GOEGHLRGANEZFF-OAHLLOKOSA-N 0 0 416.503 1.069 20 10 HDCDRN COCCOCCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000144024837 1076251017 /nfs/dbraw/zinc/25/10/17/1076251017.db2.gz XPISXCDOJHKDHZ-UHFFFAOYSA-N 0 0 411.410 1.997 20 10 HDCDRN COC(=O)c1cc(S(=O)(=O)NCc2cccc(Br)c2O)cn1C ZINC000766201779 1076263870 /nfs/dbraw/zinc/26/38/70/1076263870.db2.gz VAPQHKYPHZUZQC-UHFFFAOYSA-N 0 0 403.254 1.758 20 10 HDCDRN NC(=O)N1CC[C@H](NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 ZINC000733970808 1076271642 /nfs/dbraw/zinc/27/16/42/1076271642.db2.gz MICHLAZWVLCCTC-KWJWQAOWSA-N 0 0 424.573 1.999 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000734017296 1076291000 /nfs/dbraw/zinc/29/10/00/1076291000.db2.gz BCEYAQHWTKKXQP-UHFFFAOYSA-N 0 0 421.475 1.344 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c1 ZINC000734072921 1076301141 /nfs/dbraw/zinc/30/11/41/1076301141.db2.gz VGNGNIADLHWURL-UHFFFAOYSA-N 0 0 408.414 1.620 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)c1 ZINC000734072480 1076301588 /nfs/dbraw/zinc/30/15/88/1076301588.db2.gz BWVFVGACHGYUAM-UHFFFAOYSA-N 0 0 407.426 1.866 20 10 HDCDRN COC(=O)CCOc1ccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734072962 1076301801 /nfs/dbraw/zinc/30/18/01/1076301801.db2.gz XCORVKYTRPMTAH-UHFFFAOYSA-N 0 0 402.403 1.598 20 10 HDCDRN COCCOc1cc(NC(=O)C(=O)NCc2cc(OC)ccc2O)ccc1OC ZINC000734072514 1076301806 /nfs/dbraw/zinc/30/18/06/1076301806.db2.gz DOUBAQMNFKEKMU-UHFFFAOYSA-N 0 0 404.419 1.690 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3Cc4ccccc4C3=O)cc2)C1 ZINC000729967264 1076399616 /nfs/dbraw/zinc/39/96/16/1076399616.db2.gz KZMXZMFPSDKJKI-SFHVURJKSA-N 0 0 406.486 1.661 20 10 HDCDRN Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccc1S(N)(=O)=O ZINC000730842628 1076671122 /nfs/dbraw/zinc/67/11/22/1076671122.db2.gz LKCIUVWNAWSRBW-UHFFFAOYSA-N 0 0 407.467 1.548 20 10 HDCDRN CC(C)(O)CNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000731120427 1076725970 /nfs/dbraw/zinc/72/59/70/1076725970.db2.gz YVJSGHHMDCGIBI-UHFFFAOYSA-N 0 0 402.474 1.512 20 10 HDCDRN O=C(NCc1ccccc1O)C(=O)Nc1cc(Br)cnc1-n1cccn1 ZINC000731129577 1076735797 /nfs/dbraw/zinc/73/57/97/1076735797.db2.gz OAYAQMYLPKFSEB-UHFFFAOYSA-N 0 0 416.235 1.990 20 10 HDCDRN CCN(CC1CC1)S(=O)(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000766025200 1073682040 /nfs/dbraw/zinc/68/20/40/1073682040.db2.gz NLVPSYWLXSFGBL-UHFFFAOYSA-N 0 0 410.584 1.774 20 10 HDCDRN NC(=O)C1CCN(c2ccc(CNC(=O)c3sccc3-n3ccnn3)cc2)CC1 ZINC001626095975 1074093258 /nfs/dbraw/zinc/09/32/58/1074093258.db2.gz YUBDLCGDIWFAEL-UHFFFAOYSA-N 0 0 410.503 1.961 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)c1 ZINC000731371827 1075321802 /nfs/dbraw/zinc/32/18/02/1075321802.db2.gz OKPPFJAEMMMISU-UHFFFAOYSA-N 0 0 409.508 1.675 20 10 HDCDRN CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)cc1F ZINC000731447387 1075345892 /nfs/dbraw/zinc/34/58/92/1075345892.db2.gz MOMBOFDBDOSUOP-UHFFFAOYSA-N 0 0 401.485 1.555 20 10 HDCDRN C[C@@H](NC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000804082110 1075350942 /nfs/dbraw/zinc/35/09/42/1075350942.db2.gz UBQFTTDOZFTZEX-OAHLLOKOSA-N 0 0 414.481 1.544 20 10 HDCDRN Cc1cc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c(C)n1-c1ccccn1 ZINC000731650525 1075435774 /nfs/dbraw/zinc/43/57/74/1075435774.db2.gz QNYIMQVSGQDDFS-UHFFFAOYSA-N 0 0 404.536 1.728 20 10 HDCDRN COC(=O)C(C)(C)N(C)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000731844681 1075529032 /nfs/dbraw/zinc/52/90/32/1075529032.db2.gz UKMHXHNJHFLDGM-UHFFFAOYSA-N 0 0 421.519 1.808 20 10 HDCDRN CNC(=O)c1cncc(/C=C/C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000731977664 1075581669 /nfs/dbraw/zinc/58/16/69/1075581669.db2.gz PLHFPUAGKUCHQW-AHKGRUIUSA-N 0 0 421.501 1.473 20 10 HDCDRN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(N2CCCC2)cc1 ZINC000732056699 1075595814 /nfs/dbraw/zinc/59/58/14/1075595814.db2.gz HCXAPLPIKVEIFH-NRFANRHFSA-N 0 0 414.550 1.616 20 10 HDCDRN CS(=O)(=O)N1CCCC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000804199760 1075665413 /nfs/dbraw/zinc/66/54/13/1075665413.db2.gz GZBPGNKYKLSFOL-CQSZACIVSA-N 0 0 415.899 1.624 20 10 HDCDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000732233402 1075685656 /nfs/dbraw/zinc/68/56/56/1075685656.db2.gz RPFHLFJOYSRBGD-QGZVFWFLSA-N 0 0 405.543 1.121 20 10 HDCDRN O=C(CN1CCN(C(=O)COC(=O)C2=CC(=O)CS2)CC1)Nc1ccc(F)cc1 ZINC000732354002 1075720576 /nfs/dbraw/zinc/72/05/76/1075720576.db2.gz MXTIGVDOTJTJLW-UHFFFAOYSA-N 0 0 421.450 1.533 20 10 HDCDRN CCCCn1c(N)c(N(CCOC)C(=O)C=Cc2cnc(C)s2)c(=O)[nH]c1=O ZINC000732727885 1075844135 /nfs/dbraw/zinc/84/41/35/1075844135.db2.gz LKFBOXCXSFRLJT-VOTSOKGWSA-N 0 0 407.496 1.789 20 10 HDCDRN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000732835603 1075882737 /nfs/dbraw/zinc/88/27/37/1075882737.db2.gz MMUBZUBPDIDWGF-MRXNPFEDSA-N 0 0 421.450 1.780 20 10 HDCDRN Cc1nn(C)cc1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000733216747 1076013644 /nfs/dbraw/zinc/01/36/44/1076013644.db2.gz RAVNEAIGQPTSPV-UHFFFAOYSA-N 0 0 409.469 1.914 20 10 HDCDRN Cc1cc(C(=O)N(CC(N)=O)CC(N)=O)c(C)n1-c1ccccc1Br ZINC000733256893 1076018773 /nfs/dbraw/zinc/01/87/73/1076018773.db2.gz NPQIIAJYMLYQMM-UHFFFAOYSA-N 0 0 407.268 1.269 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000727037744 1076031272 /nfs/dbraw/zinc/03/12/72/1076031272.db2.gz JBIKNUVMIUTJTQ-UHFFFAOYSA-N 0 0 407.430 1.828 20 10 HDCDRN COC(=O)N[C@H](C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000733554676 1076097544 /nfs/dbraw/zinc/09/75/44/1076097544.db2.gz YKPUSSUKAOJZIK-SFHVURJKSA-N 0 0 407.467 1.268 20 10 HDCDRN Cc1cc(C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1cccc(C)c1 ZINC000733565517 1076103891 /nfs/dbraw/zinc/10/38/91/1076103891.db2.gz UHBNALVYPZMMIX-UHFFFAOYSA-N 0 0 411.414 1.549 20 10 HDCDRN COC(=O)NCCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000733545476 1076107638 /nfs/dbraw/zinc/10/76/38/1076107638.db2.gz XTMXQIQMUGGAAZ-UHFFFAOYSA-N 0 0 410.382 1.690 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(S(C)(=O)=O)o3)CC2)cc1 ZINC000733587134 1076116412 /nfs/dbraw/zinc/11/64/12/1076116412.db2.gz VLIIBIRECWGXOC-UHFFFAOYSA-N 0 0 422.459 1.197 20 10 HDCDRN Cc1noc(CCCNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000727480011 1076130311 /nfs/dbraw/zinc/13/03/11/1076130311.db2.gz RMICUVYSTLZVED-MRXNPFEDSA-N 0 0 400.483 1.512 20 10 HDCDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000733645065 1076138496 /nfs/dbraw/zinc/13/84/96/1076138496.db2.gz DNUPBNPYAUMIHB-SFHVURJKSA-N 0 0 410.540 1.387 20 10 HDCDRN CCS(=O)(=O)C[C@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000733645431 1076138524 /nfs/dbraw/zinc/13/85/24/1076138524.db2.gz JDARMBUKUHNQNQ-HOCLYGCPSA-N 0 0 410.540 1.011 20 10 HDCDRN C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733649200 1076141307 /nfs/dbraw/zinc/14/13/07/1076141307.db2.gz XTQNGOPVZYCEMR-MCIONIFRSA-N 0 0 401.504 1.672 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3cnn(C)c3C(F)F)CC2)cc1 ZINC000727568781 1076175577 /nfs/dbraw/zinc/17/55/77/1076175577.db2.gz SFIFDYBOBGSOPJ-UHFFFAOYSA-N 0 0 408.405 1.872 20 10 HDCDRN COc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)c1O ZINC000727763000 1076218340 /nfs/dbraw/zinc/21/83/40/1076218340.db2.gz VXAAOHZWSPILGV-UHFFFAOYSA-N 0 0 407.492 1.844 20 10 HDCDRN COCCNS(=O)(=O)c1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000733973411 1076279207 /nfs/dbraw/zinc/27/92/07/1076279207.db2.gz INOLSOACKTVDLD-UHFFFAOYSA-N 0 0 415.562 1.980 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 ZINC000734018476 1076291263 /nfs/dbraw/zinc/29/12/63/1076291263.db2.gz UHUNKCLLZFFFAH-FQEVSTJZSA-N 0 0 401.394 1.623 20 10 HDCDRN CCCCCS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000727991685 1076298634 /nfs/dbraw/zinc/29/86/34/1076298634.db2.gz MGGKMPHTLWZPAZ-KRWDZBQOSA-N 0 0 409.552 1.610 20 10 HDCDRN COCCNS(=O)(=O)c1ccc(CNC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734066867 1076300574 /nfs/dbraw/zinc/30/05/74/1076300574.db2.gz UFHBKMVYSRZAJQ-UHFFFAOYSA-N 0 0 423.491 1.325 20 10 HDCDRN C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCn2cnnc2C1 ZINC000730006119 1076411013 /nfs/dbraw/zinc/41/10/13/1076411013.db2.gz BMXIYCVCGQZBPE-CYBMUJFWSA-N 0 0 401.426 1.896 20 10 HDCDRN Cc1cc(C(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)c(C)n1-c1cccc(F)c1 ZINC000730571893 1076606174 /nfs/dbraw/zinc/60/61/74/1076606174.db2.gz XEZBBTYQYZSIOM-INIZCTEOSA-N 0 0 422.526 1.921 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCc4ccccc4[C@H]3C(N)=O)CC2)cc1 ZINC000730807935 1076666217 /nfs/dbraw/zinc/66/62/17/1076666217.db2.gz CGGCWLFLAWPXQI-QFIPXVFZSA-N 0 0 408.502 1.429 20 10 HDCDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731014659 1076711632 /nfs/dbraw/zinc/71/16/32/1076711632.db2.gz DSCGOYRNCIKMAH-FQEVSTJZSA-N 0 0 400.523 1.666 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN[C@H](C(=O)OC)c1ccc(OC)cc1)cc2=O ZINC000731032978 1076714587 /nfs/dbraw/zinc/71/45/87/1076714587.db2.gz RFIUTBBSDIPJPB-KRWDZBQOSA-N 0 0 414.418 1.624 20 10 HDCDRN COc1ccc(-n2c(C)cc(C(=O)OCCN(C)S(=O)(=O)N(C)C)c2C)cc1 ZINC000731142365 1076729973 /nfs/dbraw/zinc/72/99/73/1076729973.db2.gz HFHSAWGOVHMTBD-UHFFFAOYSA-N 0 0 409.508 1.998 20 10 HDCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1CCCS(=O)(=O)C1 ZINC001671055960 1073581650 /nfs/dbraw/zinc/58/16/50/1073581650.db2.gz SBQWVJHFALFYMD-ZDUSSCGKSA-N 0 0 403.451 1.178 20 10 HDCDRN Cn1cc(-c2nn(C)cc2C(=O)N2CCn3ncc(I)c32)cn1 ZINC001128895334 1074645929 /nfs/dbraw/zinc/64/59/29/1074645929.db2.gz FOOLLIYHQRVDOG-UHFFFAOYSA-N 0 0 423.218 1.282 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](CO)OC[C@H]3C)cc2F)C[C@H](C)O1 ZINC000766098014 1074761919 /nfs/dbraw/zinc/76/19/19/1074761919.db2.gz KBYDHJLNLXYAJH-XLMAVXFVSA-N 0 0 409.502 1.137 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCN(c4cc(C)ccn4)CC3)CC2)cc1 ZINC000766161793 1075099604 /nfs/dbraw/zinc/09/96/04/1075099604.db2.gz WJXQMNBZWDKJJI-UHFFFAOYSA-N 0 0 409.534 1.869 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1F ZINC000731403191 1075330348 /nfs/dbraw/zinc/33/03/48/1075330348.db2.gz FNOVLYFLXWWUDJ-OAHLLOKOSA-N 0 0 400.520 1.895 20 10 HDCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000731476991 1075370242 /nfs/dbraw/zinc/37/02/42/1075370242.db2.gz MTVXNDWXFJQYEV-CQSZACIVSA-N 0 0 409.533 1.531 20 10 HDCDRN CN1CCCc2cc(CNC(=O)c3ccc4c(c3)S(=O)(=O)N=C3NC=NN34)ccc21 ZINC000731809661 1075527708 /nfs/dbraw/zinc/52/77/08/1075527708.db2.gz ZSXYREGNMFKVCZ-UHFFFAOYSA-N 0 0 424.486 1.410 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3c4ccccc4CCC3=O)cc2)C1 ZINC000731976498 1075581685 /nfs/dbraw/zinc/58/16/85/1075581685.db2.gz DRARIPXZEMLECW-LJQANCHMSA-N 0 0 420.513 1.984 20 10 HDCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CCCN1c1nccs1 ZINC000732059891 1075597283 /nfs/dbraw/zinc/59/72/83/1075597283.db2.gz JXCVTNOWOQRQEQ-KRWDZBQOSA-N 0 0 420.560 1.663 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)CNC(=O)OCC(F)(F)F)CC2)cc1 ZINC000732064602 1075599530 /nfs/dbraw/zinc/59/95/30/1075599530.db2.gz VWVODNHYTQYRTL-UHFFFAOYSA-N 0 0 418.416 1.222 20 10 HDCDRN CNC(=O)c1cncc(/C=C/C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000732064628 1075599962 /nfs/dbraw/zinc/59/99/62/1075599962.db2.gz WZRAPHSQVAGVIV-FPYGCLRLSA-N 0 0 423.517 1.401 20 10 HDCDRN C[C@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732200921 1075674298 /nfs/dbraw/zinc/67/42/98/1075674298.db2.gz VDXROZAZGXMXMI-KBPBESRZSA-N 0 0 405.454 1.986 20 10 HDCDRN O=C(CN1CCC[C@H]1[C@@H](O)C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732201786 1075674540 /nfs/dbraw/zinc/67/45/40/1075674540.db2.gz NUVWZJWJSVWTNA-FUHWJXTLSA-N 0 0 419.419 1.666 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)Cc1cn3cccc(C)c3n1)cc2=O ZINC000732357895 1075721843 /nfs/dbraw/zinc/72/18/43/1075721843.db2.gz CVFQPZDWIXKUSQ-UHFFFAOYSA-N 0 0 409.402 1.854 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732571652 1075782591 /nfs/dbraw/zinc/78/25/91/1075782591.db2.gz GXJNXNBXGSVXMO-HNNXBMFYSA-N 0 0 400.401 1.486 20 10 HDCDRN COC(=O)c1ncn(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000732718213 1075832672 /nfs/dbraw/zinc/83/26/72/1075832672.db2.gz QBCCBMYXELHFGG-STQMWFEESA-N 0 0 405.430 1.134 20 10 HDCDRN COCCN(C(=O)C=Cc1cnc(C)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000732728193 1075844139 /nfs/dbraw/zinc/84/41/39/1075844139.db2.gz VQEYRXUHFZQSNF-WAYWQWQTSA-N 0 0 407.496 1.645 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000732923317 1075914764 /nfs/dbraw/zinc/91/47/64/1075914764.db2.gz WBYJRHKAAMMWKV-UHFFFAOYSA-N 0 0 410.584 1.916 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc(S(C)(=O)=O)o3)CC2)cc1 ZINC000733142086 1075974737 /nfs/dbraw/zinc/97/47/37/1075974737.db2.gz PRAAGZGGISLNBQ-UHFFFAOYSA-N 0 0 407.492 1.244 20 10 HDCDRN C[C@H]([C@H](C)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)S(C)(=O)=O ZINC000733310344 1076036062 /nfs/dbraw/zinc/03/60/62/1076036062.db2.gz FOAMYVDQMHTWGC-LSDHHAIUSA-N 0 0 415.531 1.032 20 10 HDCDRN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000727109697 1076046456 /nfs/dbraw/zinc/04/64/56/1076046456.db2.gz HYIKBLDZDILHDI-QFIPXVFZSA-N 0 0 423.513 1.944 20 10 HDCDRN CC(C)(C)S(=O)(=O)CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000733350825 1076049303 /nfs/dbraw/zinc/04/93/03/1076049303.db2.gz DKYYGFRDGWTXJZ-INIZCTEOSA-N 0 0 424.567 1.401 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 ZINC000727168519 1076067995 /nfs/dbraw/zinc/06/79/95/1076067995.db2.gz ITPCLCMCKXLINF-UHFFFAOYSA-N 0 0 401.448 1.850 20 10 HDCDRN COC(=O)c1cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)oc1C ZINC000727177357 1076081442 /nfs/dbraw/zinc/08/14/42/1076081442.db2.gz ZNHMAEJMQRWPBF-XFFZJAGNSA-N 0 0 404.491 1.125 20 10 HDCDRN CON(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000727238537 1076087810 /nfs/dbraw/zinc/08/78/10/1076087810.db2.gz CLSDSEPOCLQVCD-ZSOIEALJSA-N 0 0 409.489 1.226 20 10 HDCDRN CCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000727307697 1076092395 /nfs/dbraw/zinc/09/23/95/1076092395.db2.gz DNIHWETZCNLQEY-FUHWJXTLSA-N 0 0 418.563 1.706 20 10 HDCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)c2C)cc1 ZINC000727390946 1076110797 /nfs/dbraw/zinc/11/07/97/1076110797.db2.gz BKJJWGYRLGZJDG-UHFFFAOYSA-N 0 0 423.477 1.074 20 10 HDCDRN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(N2CCOCC2)c(F)c1 ZINC000727464751 1076136448 /nfs/dbraw/zinc/13/64/48/1076136448.db2.gz XBMWUCOOIYVGJD-NRFANRHFSA-N 0 0 412.465 1.999 20 10 HDCDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000733648175 1076140006 /nfs/dbraw/zinc/14/00/06/1076140006.db2.gz RVOWCYQNVBWQBP-BFYDXBDKSA-N 0 0 424.567 1.351 20 10 HDCDRN COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1O ZINC000727761372 1076217381 /nfs/dbraw/zinc/21/73/81/1076217381.db2.gz XPFIDQFEEYGHTD-UHFFFAOYSA-N 0 0 423.491 1.723 20 10 HDCDRN COc1cccc(CNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1O ZINC000727761349 1076217412 /nfs/dbraw/zinc/21/74/12/1076217412.db2.gz WBDOORIWUNACFE-UHFFFAOYSA-N 0 0 404.419 1.473 20 10 HDCDRN COc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1O ZINC000727760907 1076217679 /nfs/dbraw/zinc/21/76/79/1076217679.db2.gz CRSHJHKKYQTYJR-UHFFFAOYSA-N 0 0 406.460 1.352 20 10 HDCDRN COc1cccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1O ZINC000727762220 1076218096 /nfs/dbraw/zinc/21/80/96/1076218096.db2.gz FFRFHGGPWPRTKH-MRXNPFEDSA-N 0 0 420.487 1.788 20 10 HDCDRN Cc1cc(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(=O)n(C)c1 ZINC000766196870 1076259043 /nfs/dbraw/zinc/25/90/43/1076259043.db2.gz AJSPTYQMJZIQLJ-UHFFFAOYSA-N 0 0 404.492 1.250 20 10 HDCDRN COc1ncc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)cn1 ZINC000733923820 1076271424 /nfs/dbraw/zinc/27/14/24/1076271424.db2.gz BXRFISPDXJPSMS-UHFFFAOYSA-N 0 0 423.452 1.671 20 10 HDCDRN NC(=O)N1CC[C@@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 ZINC000733970810 1076271721 /nfs/dbraw/zinc/27/17/21/1076271721.db2.gz MICHLAZWVLCCTC-VSXLWIIGSA-N 0 0 424.573 1.999 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000734016690 1076290644 /nfs/dbraw/zinc/29/06/44/1076290644.db2.gz YXCKODMZMJXJPM-UHFFFAOYSA-N 0 0 413.393 1.422 20 10 HDCDRN Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1F ZINC000727946868 1076293716 /nfs/dbraw/zinc/29/37/16/1076293716.db2.gz QPBAJDOHQFNPGV-UHFFFAOYSA-N 0 0 411.441 1.773 20 10 HDCDRN CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727993663 1076299141 /nfs/dbraw/zinc/29/91/41/1076299141.db2.gz ZJTDOZWCAGUFSH-NVXWUHKLSA-N 0 0 404.536 1.316 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)CN(C)CCS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000728053684 1076320506 /nfs/dbraw/zinc/32/05/06/1076320506.db2.gz HAZIOJXIHMGZOV-GJZGRUSLSA-N 0 0 415.531 1.032 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCCN3C(=O)CCC3=O)cc2F)C[C@@H](C)O1 ZINC000730024289 1076412593 /nfs/dbraw/zinc/41/25/93/1076412593.db2.gz DQNNSTPBDUMTBK-HUUCEWRRSA-N 0 0 420.485 1.778 20 10 HDCDRN CNC(=O)C1(C(=O)OCC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000730042567 1076417943 /nfs/dbraw/zinc/41/79/43/1076417943.db2.gz FKYQHTZTHQAVAG-OKILXGFUSA-N 0 0 421.469 1.125 20 10 HDCDRN CNC(=O)C1(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000730042995 1076419056 /nfs/dbraw/zinc/41/90/56/1076419056.db2.gz BSLDUHFPZAWHDZ-LBPRGKRZSA-N 0 0 420.421 1.858 20 10 HDCDRN CNC(=O)C1(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000730044939 1076419528 /nfs/dbraw/zinc/41/95/28/1076419528.db2.gz FZZLRAYRCMFGTI-UHFFFAOYSA-N 0 0 406.394 1.470 20 10 HDCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000730584379 1076608911 /nfs/dbraw/zinc/60/89/11/1076608911.db2.gz VJXKNFHDEMLMCS-LBPRGKRZSA-N 0 0 403.526 1.140 20 10 HDCDRN COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(C)cc1 ZINC000730592115 1076609862 /nfs/dbraw/zinc/60/98/62/1076609862.db2.gz MEDRTARSIXKARC-MRXNPFEDSA-N 0 0 406.460 1.759 20 10 HDCDRN COc1cc(F)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC ZINC000730680490 1076636821 /nfs/dbraw/zinc/63/68/21/1076636821.db2.gz UNRGRIWJLCGTIJ-UHFFFAOYSA-N 0 0 417.437 1.934 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000730823653 1076662251 /nfs/dbraw/zinc/66/22/51/1076662251.db2.gz NSIZQEPIGSRUDC-UHFFFAOYSA-N 0 0 403.527 1.413 20 10 HDCDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000730842004 1076671013 /nfs/dbraw/zinc/67/10/13/1076671013.db2.gz AQLMBVBXGLOWHA-CYBMUJFWSA-N 0 0 413.496 1.893 20 10 HDCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nnc2n1CCC2 ZINC000730936720 1076696501 /nfs/dbraw/zinc/69/65/01/1076696501.db2.gz NEYKFODNETZYNE-GOEBONIOSA-N 0 0 411.510 1.486 20 10 HDCDRN CC1CCN(c2ccc(CNC(=O)CCn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000731014583 1076711517 /nfs/dbraw/zinc/71/15/17/1076711517.db2.gz BBDGFUAKAUVENH-UHFFFAOYSA-N 0 0 405.524 1.473 20 10 HDCDRN CCCCN(Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000731214762 1076748968 /nfs/dbraw/zinc/74/89/68/1076748968.db2.gz ZTKYEPRNQBMXJX-AWEZNQCLSA-N 0 0 410.496 1.401 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1F ZINC000731364456 1075309825 /nfs/dbraw/zinc/30/98/25/1075309825.db2.gz NBDZDMZQVLTIRF-UHFFFAOYSA-N 0 0 416.519 1.133 20 10 HDCDRN CC1CCN(c2ccc(CNC(=O)C(=O)NCCNC(=O)C(C)(C)C)cc2)CC1 ZINC000804096568 1075395926 /nfs/dbraw/zinc/39/59/26/1075395926.db2.gz CLBCPLCFKXNGEG-UHFFFAOYSA-N 0 0 402.539 1.818 20 10 HDCDRN O=S(=O)(C[C@@H]1CCOC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000731671794 1075456305 /nfs/dbraw/zinc/45/63/05/1075456305.db2.gz RQSMVOGKSUYCBK-CYBMUJFWSA-N 0 0 408.442 1.998 20 10 HDCDRN C[C@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000731727624 1075494910 /nfs/dbraw/zinc/49/49/10/1075494910.db2.gz NKJIJYBVUHABGR-NSHDSACASA-N 0 0 406.394 1.598 20 10 HDCDRN O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N1Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000804146273 1075547522 /nfs/dbraw/zinc/54/75/22/1075547522.db2.gz NAXBTPSLFZGNQU-INIZCTEOSA-N 0 0 423.395 1.928 20 10 HDCDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)Cc3ccccc3O)C2=O)cc1 ZINC000731842798 1075548700 /nfs/dbraw/zinc/54/87/00/1075548700.db2.gz GCWFTZMVYAYQMF-OAQYLSRUSA-N 0 0 412.446 1.331 20 10 HDCDRN CC(=O)NCCNC(=O)CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000731871048 1075559983 /nfs/dbraw/zinc/55/99/83/1075559983.db2.gz VCOJMOATFAGPPT-GJZGRUSLSA-N 0 0 422.501 1.088 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000731976333 1075581662 /nfs/dbraw/zinc/58/16/62/1075581662.db2.gz WHZWFPRWDHSZBR-NRFANRHFSA-N 0 0 416.566 1.862 20 10 HDCDRN CNC(=O)c1cncc(/C=C\C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 ZINC000731977665 1075581711 /nfs/dbraw/zinc/58/17/11/1075581711.db2.gz PLHFPUAGKUCHQW-KKMIYCERSA-N 0 0 421.501 1.473 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)OCC(F)(F)F)cc2)C1 ZINC000732059324 1075597707 /nfs/dbraw/zinc/59/77/07/1075597707.db2.gz CFKQAURRSSLNMQ-ZDUSSCGKSA-N 0 0 416.400 1.293 20 10 HDCDRN C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732200922 1075674323 /nfs/dbraw/zinc/67/43/23/1075674323.db2.gz VDXROZAZGXMXMI-KGLIPLIRSA-N 0 0 405.454 1.986 20 10 HDCDRN CN(CCCNC(=O)CN(Cc1ccco1)Cc1ccccc1O)S(C)(=O)=O ZINC000732202602 1075675002 /nfs/dbraw/zinc/67/50/02/1075675002.db2.gz YNNBAYDGMPRQKB-UHFFFAOYSA-N 0 0 409.508 1.385 20 10 HDCDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000732258754 1075689147 /nfs/dbraw/zinc/68/91/47/1075689147.db2.gz SASVZHOJKYTURB-UHFFFAOYSA-N 0 0 424.500 1.777 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCC(=O)N2CCc3ccccc32)c1 ZINC000732306169 1075694686 /nfs/dbraw/zinc/69/46/86/1075694686.db2.gz JJQZVXOFBWPEKN-UHFFFAOYSA-N 0 0 417.487 1.863 20 10 HDCDRN COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n1 ZINC000732717297 1075832319 /nfs/dbraw/zinc/83/23/19/1075832319.db2.gz FIGKWWKUSDLLRQ-UHFFFAOYSA-N 0 0 417.447 1.003 20 10 HDCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000569162182 1075848266 /nfs/dbraw/zinc/84/82/66/1075848266.db2.gz RJJUBIXPIZHDLT-UHFFFAOYSA-N 0 0 406.490 1.996 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)Cc3ccc(Cl)nc3)CC2)cc1 ZINC000732923329 1075914700 /nfs/dbraw/zinc/91/47/00/1075914700.db2.gz WRNLHPPGCQHETH-UHFFFAOYSA-N 0 0 424.954 1.985 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000732923325 1075914757 /nfs/dbraw/zinc/91/47/57/1075914757.db2.gz WMMXAJOXORBMQG-QZTJIDSGSA-N 0 0 410.584 1.630 20 10 HDCDRN COCc1cccc(S(=O)(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000732922902 1075914972 /nfs/dbraw/zinc/91/49/72/1075914972.db2.gz FFVPXOUDGWMDPO-UHFFFAOYSA-N 0 0 419.547 1.942 20 10 HDCDRN COC(=O)Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000733313224 1076037032 /nfs/dbraw/zinc/03/70/32/1076037032.db2.gz SDLDIGCLYTVAKB-UHFFFAOYSA-N 0 0 422.478 1.856 20 10 HDCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CCC2(CC1)NC(=O)NC2=O ZINC000733360046 1076051909 /nfs/dbraw/zinc/05/19/09/1076051909.db2.gz MPDOZCARIGVEOI-UHFFFAOYSA-N 0 0 414.506 1.280 20 10 HDCDRN CN1CCCc2cc(/C=C3/SC(=S)N(CCNS(C)(=O)=O)C3=O)ccc21 ZINC000727176976 1076070213 /nfs/dbraw/zinc/07/02/13/1076070213.db2.gz UYHJJJREMJCDOA-RVDMUPIBSA-N 0 0 411.574 1.819 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2ccc(-n3ccnc3)cc2)SC1=S ZINC000727178392 1076072762 /nfs/dbraw/zinc/07/27/62/1076072762.db2.gz WHNFRCBAUBFQHE-UVTDQMKNSA-N 0 0 408.530 1.623 20 10 HDCDRN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000727318978 1076096218 /nfs/dbraw/zinc/09/62/18/1076096218.db2.gz LYHLBPYNKUBFSY-HNNXBMFYSA-N 0 0 404.536 1.709 20 10 HDCDRN Cc1cc(C(=O)COC(=O)CN2CCC(=O)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000733562055 1076100941 /nfs/dbraw/zinc/10/09/41/1076100941.db2.gz QZZWEIIZAFJIPK-UHFFFAOYSA-N 0 0 401.394 1.901 20 10 HDCDRN COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1O ZINC000727761347 1076217385 /nfs/dbraw/zinc/21/73/85/1076217385.db2.gz VWJBZGZYMAHMRT-UHFFFAOYSA-N 0 0 406.460 1.352 20 10 HDCDRN COCCNS(=O)(=O)c1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000733880769 1076237779 /nfs/dbraw/zinc/23/77/79/1076237779.db2.gz NRVJFHMDSHYYDN-UHFFFAOYSA-N 0 0 415.562 1.980 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)c1 ZINC000734015477 1076290428 /nfs/dbraw/zinc/29/04/28/1076290428.db2.gz NABCXBLHDZCMAE-UHFFFAOYSA-N 0 0 421.294 1.802 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000734016443 1076290779 /nfs/dbraw/zinc/29/07/79/1076290779.db2.gz RUSHNWQWHYYSPG-KRWDZBQOSA-N 0 0 420.487 1.788 20 10 HDCDRN Cc1nnnn1-c1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)ccc1F ZINC000727948248 1076293913 /nfs/dbraw/zinc/29/39/13/1076293913.db2.gz XUYJAJCPQDSPIG-UHFFFAOYSA-N 0 0 423.452 1.747 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c1 ZINC000734072730 1076301507 /nfs/dbraw/zinc/30/15/07/1076301507.db2.gz PSZWMNWJCBRNQL-GOSISDBHSA-N 0 0 413.430 1.773 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1 ZINC000734072515 1076301851 /nfs/dbraw/zinc/30/18/51/1076301851.db2.gz DQCVZIFZZSSCGJ-UHFFFAOYSA-N 0 0 413.430 1.128 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 ZINC000734073274 1076302064 /nfs/dbraw/zinc/30/20/64/1076302064.db2.gz JIMWTJVQVNLFNA-UHFFFAOYSA-N 0 0 421.475 1.214 20 10 HDCDRN O=S(=O)(NCc1cccc(Br)c1O)c1ccc(-n2cnnn2)cc1 ZINC000766206729 1076303861 /nfs/dbraw/zinc/30/38/61/1076303861.db2.gz JAQSGDHJCJGRCG-UHFFFAOYSA-N 0 0 410.253 1.609 20 10 HDCDRN CNC(=O)C1(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000730046236 1076420545 /nfs/dbraw/zinc/42/05/45/1076420545.db2.gz RIBKHMACKXCAQF-UHFFFAOYSA-N 0 0 406.394 1.470 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCCN3CCCCC3=O)cc2)C1 ZINC000730121499 1076464453 /nfs/dbraw/zinc/46/44/53/1076464453.db2.gz QUSIWQWJCRTVGM-GOSISDBHSA-N 0 0 415.538 1.590 20 10 HDCDRN CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000730211416 1076478084 /nfs/dbraw/zinc/47/80/84/1076478084.db2.gz UDDPSDJBFGLMOP-LJQANCHMSA-N 0 0 421.563 1.719 20 10 HDCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000730825403 1076662658 /nfs/dbraw/zinc/66/26/58/1076662658.db2.gz BZDDXHDXDDMKFN-UHFFFAOYSA-N 0 0 417.554 1.755 20 10 HDCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nnc2n1CCC2 ZINC000730937610 1076697514 /nfs/dbraw/zinc/69/75/14/1076697514.db2.gz RQAGRSVWBDIRNM-CYBMUJFWSA-N 0 0 402.474 1.885 20 10 HDCDRN C[C@@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000140974295 1075176065 /nfs/dbraw/zinc/17/60/65/1075176065.db2.gz IJBNRQSHKNMWBD-WBVHZDCISA-N 0 0 410.540 1.307 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1F ZINC000731363566 1075309916 /nfs/dbraw/zinc/30/99/16/1075309916.db2.gz IYIOXDOLUOPVOU-OAHLLOKOSA-N 0 0 400.520 1.895 20 10 HDCDRN CCS(=O)(=O)N(C)C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000731403028 1075330427 /nfs/dbraw/zinc/33/04/27/1075330427.db2.gz BZFOXKOQIOJWHZ-UHFFFAOYSA-N 0 0 400.520 1.847 20 10 HDCDRN CC(C)(C)C(=O)NCCNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000804097392 1075397752 /nfs/dbraw/zinc/39/77/52/1075397752.db2.gz SWQPMWZNEAKRMR-INIZCTEOSA-N 0 0 405.495 1.178 20 10 HDCDRN CC(C)(C)C(=O)NCCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000804098925 1075398184 /nfs/dbraw/zinc/39/81/84/1075398184.db2.gz UAJYXIHKJQHBPZ-UHFFFAOYSA-N 0 0 401.463 1.793 20 10 HDCDRN C[C@H]1CN(c2ccc(CN3C(=O)N[C@@H](Cc4c[nH]cn4)C3=O)cc2F)C[C@H](C)O1 ZINC000804146156 1075547501 /nfs/dbraw/zinc/54/75/01/1075547501.db2.gz JHDBIVJQBVXCNN-DCGLDWPTSA-N 0 0 401.442 1.826 20 10 HDCDRN C[C@@H]1CN(c2ccc(CN3C(=O)N[C@@H](Cc4c[nH]cn4)C3=O)cc2F)C[C@H](C)O1 ZINC000804146153 1075547561 /nfs/dbraw/zinc/54/75/61/1075547561.db2.gz JHDBIVJQBVXCNN-AHIWAGSCSA-N 0 0 401.442 1.826 20 10 HDCDRN COc1ccc(N2CCN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)CC2)cc1 ZINC000731956979 1075584035 /nfs/dbraw/zinc/58/40/35/1075584035.db2.gz OOVYUOQVNFIJJA-UHFFFAOYSA-N 0 0 405.458 1.942 20 10 HDCDRN COC(=O)C(C)(C)N(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000732202622 1075675066 /nfs/dbraw/zinc/67/50/66/1075675066.db2.gz ZFSZDZWJEYGDCA-GJZGRUSLSA-N 0 0 409.502 1.939 20 10 HDCDRN COC(=O)CN(CC(=O)N1CCC2(CC1)OCCO2)Cc1cc(Cl)ccc1O ZINC000732203163 1075675711 /nfs/dbraw/zinc/67/57/11/1075675711.db2.gz QLODNTWYTAFKOL-UHFFFAOYSA-N 0 0 412.870 1.386 20 10 HDCDRN Cn1nnnc1-c1cccc(S(=O)(=O)NCc2cccc(Br)c2O)c1 ZINC000766178989 1075698445 /nfs/dbraw/zinc/69/84/45/1075698445.db2.gz GULKJANAYHOUFF-UHFFFAOYSA-N 0 0 424.280 1.824 20 10 HDCDRN O=C(COC(=O)C1=CC(=O)CS1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000732353413 1075720536 /nfs/dbraw/zinc/72/05/36/1075720536.db2.gz HLDRWQJCZPFWOS-LLVKDONJSA-N 0 0 415.514 1.888 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000732923326 1075914722 /nfs/dbraw/zinc/91/47/22/1075914722.db2.gz WMMXAJOXORBMQG-ROUUACIJSA-N 0 0 410.584 1.630 20 10 HDCDRN CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H](C)CS(C)(=O)=O ZINC000733039360 1075962164 /nfs/dbraw/zinc/96/21/64/1075962164.db2.gz XYNOAUNBVQRGBD-CQSZACIVSA-N 0 0 415.531 1.751 20 10 HDCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(CC(=O)OC)cc2)cc1 ZINC000733249667 1076023239 /nfs/dbraw/zinc/02/32/39/1076023239.db2.gz OZQAULLTOPQAOC-UHFFFAOYSA-N 0 0 412.489 1.965 20 10 HDCDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000733344481 1076042567 /nfs/dbraw/zinc/04/25/67/1076042567.db2.gz BPGGUSBBVMMQBC-QAPCUYQASA-N 0 0 410.540 1.307 20 10 HDCDRN NC(=O)CN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)SC1=S ZINC000727176390 1076070597 /nfs/dbraw/zinc/07/05/97/1076070597.db2.gz QPBWBPAJYLNLLG-WTDSWWLTSA-N 0 0 401.263 1.864 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C[C@H](C)NC(=O)C1CCCC1)cc2=O ZINC000727202330 1076081239 /nfs/dbraw/zinc/08/12/39/1076081239.db2.gz JBNIZKRSFLIFEG-LBPRGKRZSA-N 0 0 418.450 1.740 20 10 HDCDRN Cn1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1=O ZINC000733505232 1076086036 /nfs/dbraw/zinc/08/60/36/1076086036.db2.gz WRGFNCDRRDAGER-UHFFFAOYSA-N 0 0 416.389 1.956 20 10 HDCDRN COC(=O)NCCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000733542342 1076090809 /nfs/dbraw/zinc/09/08/09/1076090809.db2.gz FYMWCWZDPYNOBL-UHFFFAOYSA-N 0 0 410.382 1.690 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc(-n4cnnc4)cc3)CC2)cc1 ZINC000727375568 1076100602 /nfs/dbraw/zinc/10/06/02/1076100602.db2.gz GDVHMQSKCQGFNJ-UHFFFAOYSA-N 0 0 406.490 1.828 20 10 HDCDRN COCc1cccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000727457093 1076132651 /nfs/dbraw/zinc/13/26/51/1076132651.db2.gz MMFGYNHUTXPNHN-UHFFFAOYSA-N 0 0 424.544 1.546 20 10 HDCDRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000733643968 1076137540 /nfs/dbraw/zinc/13/75/40/1076137540.db2.gz CQULZSXXKFAYRA-NVXWUHKLSA-N 0 0 424.567 1.353 20 10 HDCDRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000733643922 1076138054 /nfs/dbraw/zinc/13/80/54/1076138054.db2.gz BBLDZVQMYTXJSX-KBPBESRZSA-N 0 0 415.531 1.750 20 10 HDCDRN COc1ccc(N2CCN(C(=O)Cn3nnc(COc4ccccc4)n3)CC2)cc1 ZINC000727957897 1076287881 /nfs/dbraw/zinc/28/78/81/1076287881.db2.gz UJHWJZBPFVRSCW-UHFFFAOYSA-N 0 0 408.462 1.610 20 10 HDCDRN CCS(=O)(=O)CCNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000727938128 1076291008 /nfs/dbraw/zinc/29/10/08/1076291008.db2.gz XWGSSPYODXQGRD-UHFFFAOYSA-N 0 0 423.457 1.776 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c1 ZINC000734072731 1076301585 /nfs/dbraw/zinc/30/15/85/1076301585.db2.gz PSZWMNWJCBRNQL-SFHVURJKSA-N 0 0 413.430 1.773 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)c1 ZINC000734073112 1076302173 /nfs/dbraw/zinc/30/21/73/1076302173.db2.gz DIQRIUPUQQSVQI-UHFFFAOYSA-N 0 0 408.414 1.312 20 10 HDCDRN COCCOc1ncccc1NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000728140961 1076341394 /nfs/dbraw/zinc/34/13/94/1076341394.db2.gz JXVSHZCFVOZZTA-UHFFFAOYSA-N 0 0 414.462 1.198 20 10 HDCDRN O=C(NCc1nnnn1-c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000730579740 1076601678 /nfs/dbraw/zinc/60/16/78/1076601678.db2.gz HHSXLTXVZNQINA-UHFFFAOYSA-N 0 0 411.441 1.637 20 10 HDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000730673001 1076635528 /nfs/dbraw/zinc/63/55/28/1076635528.db2.gz QJJNSMXPNSSTBT-UHFFFAOYSA-N 0 0 414.597 1.663 20 10 HDCDRN C[C@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nnc2n1CCC2 ZINC000730936721 1076696444 /nfs/dbraw/zinc/69/64/44/1076696444.db2.gz NEYKFODNETZYNE-HOCLYGCPSA-N 0 0 411.510 1.486 20 10 HDCDRN CS(=O)(=O)NCc1ccc(C(=O)Nc2c(C3=S=CC=C3)nc3ccccn32)o1 ZINC000674686703 1074524210 /nfs/dbraw/zinc/52/42/10/1074524210.db2.gz AUFIYNDFBVCICX-UHFFFAOYSA-N 0 0 416.484 1.855 20 10 HDCDRN CCOC(=O)N1CCN(S(=O)(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000731356538 1075319765 /nfs/dbraw/zinc/31/97/65/1075319765.db2.gz IMKLUGKBIRRTFD-UHFFFAOYSA-N 0 0 416.519 1.780 20 10 HDCDRN Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000731477842 1075370607 /nfs/dbraw/zinc/37/06/07/1075370607.db2.gz ZUGZPMAHEOWYRH-INIZCTEOSA-N 0 0 417.531 1.778 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000731843279 1075547625 /nfs/dbraw/zinc/54/76/25/1075547625.db2.gz NZGAVKFPCYNYMO-FUHWJXTLSA-N 0 0 401.429 1.731 20 10 HDCDRN CN1CCCc2cc(CNC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)ccc21 ZINC000731981268 1075582887 /nfs/dbraw/zinc/58/28/87/1075582887.db2.gz NNLREHSYCYDOFK-OAQYLSRUSA-N 0 0 414.550 1.399 20 10 HDCDRN CN(C)c1ccc(CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1F ZINC000731981709 1075582929 /nfs/dbraw/zinc/58/29/29/1075582929.db2.gz RYSKQRMDAHDCBS-LJQANCHMSA-N 0 0 406.502 1.221 20 10 HDCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CNC(=O)CNC(C)=O)cc1 ZINC000732114672 1075635859 /nfs/dbraw/zinc/63/58/59/1075635859.db2.gz KWAMQRLLSHBDSG-UHFFFAOYSA-N 0 0 412.490 1.547 20 10 HDCDRN COC(=O)CN(Cc1nn2c(nc(C)cc2=O)s1)Cc1cc(Cl)ccc1O ZINC000732202836 1075674983 /nfs/dbraw/zinc/67/49/83/1075674983.db2.gz GXXAZRFWXZYNAW-UHFFFAOYSA-N 0 0 408.867 1.994 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000732241132 1075677609 /nfs/dbraw/zinc/67/76/09/1075677609.db2.gz BYIKIQPGELNREH-QGZVFWFLSA-N 0 0 404.486 1.959 20 10 HDCDRN C[C@H](NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000141684177 1075686944 /nfs/dbraw/zinc/68/69/44/1075686944.db2.gz LCSXNHHTYZJIQO-HNNXBMFYSA-N 0 0 410.474 1.367 20 10 HDCDRN CC(=O)N1CCN(CCOc2ccc(CCNC(=O)C3=CC(=O)CS3)cc2)CC1 ZINC000732285018 1075697402 /nfs/dbraw/zinc/69/74/02/1075697402.db2.gz NGSOAKIHXMGEHT-UHFFFAOYSA-N 0 0 417.531 1.969 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c1 ZINC000732291767 1075700723 /nfs/dbraw/zinc/70/07/23/1075700723.db2.gz NNSNYSMRWNPLBV-AWEZNQCLSA-N 0 0 423.878 1.952 20 10 HDCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000732473985 1075756457 /nfs/dbraw/zinc/75/64/57/1075756457.db2.gz UQERZUCXZUNAAQ-DZGCQCFKSA-N 0 0 415.512 1.250 20 10 HDCDRN CC(C)(C)OC(=O)NCCOCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732551941 1075784152 /nfs/dbraw/zinc/78/41/52/1075784152.db2.gz VBZURTYMIFCJRE-UHFFFAOYSA-N 0 0 411.474 1.820 20 10 HDCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000467908389 1075848203 /nfs/dbraw/zinc/84/82/03/1075848203.db2.gz FZNARTNSZFMJKH-UHFFFAOYSA-N 0 0 410.478 1.864 20 10 HDCDRN Cc1cc(C(=O)COC(=O)Cn2ncn3nccc3c2=O)c(C)n1-c1ccc(F)cc1 ZINC000732865102 1075889462 /nfs/dbraw/zinc/88/94/62/1075889462.db2.gz WUDSZFBCGIMKAJ-UHFFFAOYSA-N 0 0 423.404 1.864 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)cc1F ZINC000733348094 1076043169 /nfs/dbraw/zinc/04/31/69/1076043169.db2.gz KRYKOSUHVVOESS-OAHLLOKOSA-N 0 0 400.520 1.895 20 10 HDCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCCC2)nc1 ZINC000727101671 1076044891 /nfs/dbraw/zinc/04/48/91/1076044891.db2.gz ASKQQGHAFAKINC-UHFFFAOYSA-N 0 0 414.531 1.847 20 10 HDCDRN Cn1nnnc1COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000733433268 1076068204 /nfs/dbraw/zinc/06/82/04/1076068204.db2.gz GUNLZTMDMXGMHP-FLIBITNWSA-N 0 0 409.518 1.996 20 10 HDCDRN NC(=O)CN1C(=O)/C(=C/c2ccccc2I)SC1=S ZINC000727176536 1076070485 /nfs/dbraw/zinc/07/04/85/1076070485.db2.gz MCKIEMUCCPAAOO-UITAMQMPSA-N 0 0 404.254 1.978 20 10 HDCDRN COC(=O)c1ccc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1 ZINC000727178610 1076072788 /nfs/dbraw/zinc/07/27/88/1076072788.db2.gz YEXMBBMHFLQUDY-FMIVXFBMSA-N 0 0 400.503 1.224 20 10 HDCDRN COCCOc1cccc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)c1 ZINC000727177259 1076081786 /nfs/dbraw/zinc/08/17/86/1076081786.db2.gz YLBCUWKXJRUZMQ-KAMYIIQDSA-N 0 0 416.546 1.462 20 10 HDCDRN CN(CC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)C(=O)C1CC1 ZINC000733514126 1076087995 /nfs/dbraw/zinc/08/79/95/1076087995.db2.gz PSZWIKJSSJAGGK-UHFFFAOYSA-N 0 0 420.421 1.812 20 10 HDCDRN C[C@H]([C@H](C)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)S(C)(=O)=O ZINC000733643924 1076137933 /nfs/dbraw/zinc/13/79/33/1076137933.db2.gz BBLDZVQMYTXJSX-UONOGXRCSA-N 0 0 415.531 1.750 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCc3cc4c([nH]c3=O)CCC4)cc2)C1 ZINC000733643888 1076137981 /nfs/dbraw/zinc/13/79/81/1076137981.db2.gz ADTIRNIQAGMZNE-QGZVFWFLSA-N 0 0 423.517 1.977 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(-n3cnnc3)cc1)cc2=O ZINC000727517866 1076144082 /nfs/dbraw/zinc/14/40/82/1076144082.db2.gz ZKBJJNXJSXMZBT-UHFFFAOYSA-N 0 0 408.374 1.549 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCN3C(=O)CCC3=O)cc2F)C[C@@H](C)O1 ZINC000733804134 1076209723 /nfs/dbraw/zinc/20/97/23/1076209723.db2.gz YENQKQGYYWELON-ZIAGYGMSSA-N 0 0 406.458 1.388 20 10 HDCDRN COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1O ZINC000727762999 1076218405 /nfs/dbraw/zinc/21/84/05/1076218405.db2.gz VWYUULRWYDASPN-OAHLLOKOSA-N 0 0 423.491 1.723 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)COc3ccc(O)cc3)CC2)cc1 ZINC000733827652 1076219740 /nfs/dbraw/zinc/21/97/40/1076219740.db2.gz HOOPUXXEVAAHRD-UHFFFAOYSA-N 0 0 400.431 1.672 20 10 HDCDRN CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1cccc(Br)c1O ZINC000766199523 1076262739 /nfs/dbraw/zinc/26/27/39/1076262739.db2.gz DUBDGBIIOKTUCX-GFCCVEGCSA-N 0 0 407.286 1.517 20 10 HDCDRN COC(=O)c1ccc(S(=O)(=O)NCc2cccc(Br)c2O)cn1 ZINC000766201742 1076263801 /nfs/dbraw/zinc/26/38/01/1076263801.db2.gz UQKBRXZFNMAASB-UHFFFAOYSA-N 0 0 401.238 1.815 20 10 HDCDRN O=S(=O)(NCc1cccc(Br)c1O)c1cccc(-n2cnnn2)c1 ZINC000766201796 1076263975 /nfs/dbraw/zinc/26/39/75/1076263975.db2.gz VGEOHJQVAHLQMZ-UHFFFAOYSA-N 0 0 410.253 1.609 20 10 HDCDRN O=C(CCc1nc(-c2ncccn2)no1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000727852592 1076271780 /nfs/dbraw/zinc/27/17/80/1076271780.db2.gz ZDGVVZWIFMSDOS-UHFFFAOYSA-N 0 0 422.489 1.984 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 ZINC000734016160 1076290767 /nfs/dbraw/zinc/29/07/67/1076290767.db2.gz CTYDKJPJAJIOMR-HXUWFJFHSA-N 0 0 409.442 1.493 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)c1 ZINC000734072472 1076301542 /nfs/dbraw/zinc/30/15/42/1076301542.db2.gz BKLMZMCGAVFDPO-UHFFFAOYSA-N 0 0 412.402 1.054 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000734072609 1076301616 /nfs/dbraw/zinc/30/16/16/1076301616.db2.gz JPJOCIWFILFHAI-UHFFFAOYSA-N 0 0 412.851 1.713 20 10 HDCDRN CN(CCS(C)(=O)=O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000728131885 1076339027 /nfs/dbraw/zinc/33/90/27/1076339027.db2.gz XNKBNEQNJFMQFT-UHFFFAOYSA-N 0 0 405.467 1.943 20 10 HDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000730096428 1076449506 /nfs/dbraw/zinc/44/95/06/1076449506.db2.gz PFKUKXGEDZEUGB-UHOSZYNNSA-N 0 0 421.563 1.479 20 10 HDCDRN COC(=O)C1CCC(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000730121288 1076464407 /nfs/dbraw/zinc/46/44/07/1076464407.db2.gz MNVKMUQFYCRJMZ-LXPRWKDFSA-N 0 0 416.522 1.919 20 10 HDCDRN Cc1cc(C(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000730571961 1076606448 /nfs/dbraw/zinc/60/64/48/1076606448.db2.gz ZQSNKHWLZYQQQS-INIZCTEOSA-N 0 0 422.526 1.921 20 10 HDCDRN CN(C)c1ccc(CNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1F ZINC000730582720 1076608423 /nfs/dbraw/zinc/60/84/23/1076608423.db2.gz FQKPXNNWXLOVOL-UHFFFAOYSA-N 0 0 404.533 1.070 20 10 HDCDRN Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1S(N)(=O)=O ZINC000730890068 1076685295 /nfs/dbraw/zinc/68/52/95/1076685295.db2.gz ONMWNKHOJGEKHM-UHFFFAOYSA-N 0 0 419.503 1.524 20 10 HDCDRN CC(C)[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000731213978 1076747274 /nfs/dbraw/zinc/74/72/74/1076747274.db2.gz LDZRGEZBNDNWED-MRUHUIDDSA-N 0 0 420.529 1.512 20 10 HDCDRN COC(=O)c1ncoc1CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001626095054 1074087234 /nfs/dbraw/zinc/08/72/34/1074087234.db2.gz PNOCSGGGUPQZLV-UHFFFAOYSA-N 0 0 414.462 1.412 20 10 HDCDRN C[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844389 1075529382 /nfs/dbraw/zinc/52/93/82/1075529382.db2.gz GEEPYCJQCLKZGM-MJGOQNOKSA-N 0 0 403.523 1.890 20 10 HDCDRN COC(=O)CN(CC(=O)Nc1ccccc1C(N)=O)Cc1cc(Cl)ccc1O ZINC000731845041 1075530025 /nfs/dbraw/zinc/53/00/25/1075530025.db2.gz OPQPGJDEDAMKHY-UHFFFAOYSA-N 0 0 405.838 1.758 20 10 HDCDRN CC(=O)NCCNC(=O)CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000731871050 1075560033 /nfs/dbraw/zinc/56/00/33/1075560033.db2.gz VCOJMOATFAGPPT-HUUCEWRRSA-N 0 0 422.501 1.088 20 10 HDCDRN C[C@H](NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)c1ccc(N(C)C)cc1 ZINC000804155542 1075561587 /nfs/dbraw/zinc/56/15/87/1075561587.db2.gz XDCGTHYGDCTUDW-INIZCTEOSA-N 0 0 411.506 1.142 20 10 HDCDRN CN(C)S(=O)(=O)c1ccsc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000732061929 1075598662 /nfs/dbraw/zinc/59/86/62/1075598662.db2.gz PXFWEBOTERXEML-UHFFFAOYSA-N 0 0 409.533 1.765 20 10 HDCDRN Cc1cc(CC(=O)N2CCN(S(N)(=O)=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000732065952 1075600726 /nfs/dbraw/zinc/60/07/26/1075600726.db2.gz APIFBQCEVAJUOM-UHFFFAOYSA-N 0 0 410.927 1.638 20 10 HDCDRN COC(=O)C(C)(C)N(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000732202621 1075675034 /nfs/dbraw/zinc/67/50/34/1075675034.db2.gz ZFSZDZWJEYGDCA-GASCZTMLSA-N 0 0 409.502 1.939 20 10 HDCDRN CNC(=O)[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccc1 ZINC000732203361 1075675779 /nfs/dbraw/zinc/67/57/79/1075675779.db2.gz RDLILKLRNASYEK-KNQAVFIVSA-N 0 0 411.502 1.977 20 10 HDCDRN CNS(=O)(=O)C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000732241163 1075677618 /nfs/dbraw/zinc/67/76/18/1075677618.db2.gz CYGWOWCERZUAIE-UHFFFAOYSA-N 0 0 412.581 1.463 20 10 HDCDRN CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000732272789 1075686139 /nfs/dbraw/zinc/68/61/39/1075686139.db2.gz BMJKJBMEEOOOQB-UHFFFAOYSA-N 0 0 400.445 1.406 20 10 HDCDRN O=C(COC(=O)C1=CC(=O)CS1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000732352815 1075720195 /nfs/dbraw/zinc/72/01/95/1075720195.db2.gz HZKGXDTVMKFRSG-CYBMUJFWSA-N 0 0 401.506 1.959 20 10 HDCDRN O=C(COC(=O)C1=CC(=O)CS1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000732353973 1075720500 /nfs/dbraw/zinc/72/05/00/1075720500.db2.gz MKIALTJZNPAHSD-UHFFFAOYSA-N 0 0 402.472 1.890 20 10 HDCDRN Cc1cc(C(=O)COC(=O)CN2CC(=O)NC2=O)c(C)n1-c1ccc(C)c(F)c1 ZINC000732357608 1075722096 /nfs/dbraw/zinc/72/20/96/1075722096.db2.gz QERLIQCGIRXGSQ-UHFFFAOYSA-N 0 0 401.394 1.819 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H](N3CCCCC3=O)C1)cc2=O ZINC000732812224 1075873421 /nfs/dbraw/zinc/87/34/21/1075873421.db2.gz LQQPUOHOKFFSJW-OAHLLOKOSA-N 0 0 401.467 1.589 20 10 HDCDRN CN(C)c1ccc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1F ZINC000733038646 1075961785 /nfs/dbraw/zinc/96/17/85/1075961785.db2.gz LEBXLMXAWVJXSH-UHFFFAOYSA-N 0 0 422.473 1.955 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)NC)C2)cc1F ZINC000733348092 1076043110 /nfs/dbraw/zinc/04/31/10/1076043110.db2.gz KRYKOSUHVVOESS-HNNXBMFYSA-N 0 0 400.520 1.895 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@@H](OC)C(F)(F)F)CC2)cc1 ZINC000733346628 1076043204 /nfs/dbraw/zinc/04/32/04/1076043204.db2.gz YBHIISIHAKNWOX-MRXNPFEDSA-N 0 0 404.433 1.694 20 10 HDCDRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733342193 1076046837 /nfs/dbraw/zinc/04/68/37/1076046837.db2.gz GTJGHSMFRHRHIJ-KBPBESRZSA-N 0 0 401.504 1.625 20 10 HDCDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733342194 1076046870 /nfs/dbraw/zinc/04/68/70/1076046870.db2.gz GTJGHSMFRHRHIJ-KGLIPLIRSA-N 0 0 401.504 1.625 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccnc(OC3CCOCC3)c2)c1 ZINC000733366289 1076054981 /nfs/dbraw/zinc/05/49/81/1076054981.db2.gz PUZOKEBCQAVXML-UHFFFAOYSA-N 0 0 421.475 1.647 20 10 HDCDRN CCOc1ccc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1OC ZINC000727178102 1076081662 /nfs/dbraw/zinc/08/16/62/1076081662.db2.gz RPGINNWKDRROFX-UVTDQMKNSA-N 0 0 416.546 1.844 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)N[C@@H]3CCc4nc(C)nn4C3)CC2)cc1 ZINC000727227099 1076085040 /nfs/dbraw/zinc/08/50/40/1076085040.db2.gz WIXKBZLFPDGZRS-QGZVFWFLSA-N 0 0 413.526 1.031 20 10 HDCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc21 ZINC000727227433 1076085147 /nfs/dbraw/zinc/08/51/47/1076085147.db2.gz YNKWOUGBAQHODH-LJQANCHMSA-N 0 0 400.523 1.849 20 10 HDCDRN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000727318979 1076096292 /nfs/dbraw/zinc/09/62/92/1076096292.db2.gz LYHLBPYNKUBFSY-OAHLLOKOSA-N 0 0 404.536 1.709 20 10 HDCDRN Cc1cc(C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000733567277 1076104760 /nfs/dbraw/zinc/10/47/60/1076104760.db2.gz YCRRKMMEBKICRK-UHFFFAOYSA-N 0 0 411.414 1.549 20 10 HDCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cc1F ZINC000733631321 1076133604 /nfs/dbraw/zinc/13/36/04/1076133604.db2.gz HPJOARMCVDZZJW-UHFFFAOYSA-N 0 0 401.442 1.819 20 10 HDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000733850232 1076227363 /nfs/dbraw/zinc/22/73/63/1076227363.db2.gz MTAQLLONHFYQEC-UHFFFAOYSA-N 0 0 408.458 1.615 20 10 HDCDRN NS(=O)(=O)c1cccc(S(=O)(=O)NCc2cccc(Br)c2O)c1 ZINC000766201421 1076264184 /nfs/dbraw/zinc/26/41/84/1076264184.db2.gz UJHXPOVVKNKDBV-UHFFFAOYSA-N 0 0 421.294 1.281 20 10 HDCDRN CNS(=O)(=O)c1ccccc1N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000727824515 1076268173 /nfs/dbraw/zinc/26/81/73/1076268173.db2.gz ADLQTKPFXQKRMW-UHFFFAOYSA-N 0 0 405.476 1.351 20 10 HDCDRN CN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@@H]1c1cccnc1 ZINC000733921648 1076270955 /nfs/dbraw/zinc/27/09/55/1076270955.db2.gz DXYWDAISLJZOES-UWJYYQICSA-N 0 0 412.465 1.893 20 10 HDCDRN CN(C)c1ccc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)cc1F ZINC000727860383 1076274696 /nfs/dbraw/zinc/27/46/96/1076274696.db2.gz ASIRDKURVFSJJJ-UKTHLTGXSA-N 0 0 403.526 1.642 20 10 HDCDRN CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000727993662 1076299184 /nfs/dbraw/zinc/29/91/84/1076299184.db2.gz ZJTDOZWCAGUFSH-DOTOQJQBSA-N 0 0 404.536 1.316 20 10 HDCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 ZINC000734060696 1076299995 /nfs/dbraw/zinc/29/99/95/1076299995.db2.gz FPKULEKFEVXYDG-UHFFFAOYSA-N 0 0 405.476 1.957 20 10 HDCDRN COc1ccc(O)c(CNC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000734065282 1076300651 /nfs/dbraw/zinc/30/06/51/1076300651.db2.gz YKQWZWZJIYHHRC-MRXNPFEDSA-N 0 0 402.373 1.774 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000728130284 1076338933 /nfs/dbraw/zinc/33/89/33/1076338933.db2.gz XEUGRHSIRNDVNW-OKILXGFUSA-N 0 0 401.504 1.625 20 10 HDCDRN O=C(NCCCN1C(=O)CCC1=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000730028645 1076412973 /nfs/dbraw/zinc/41/29/73/1076412973.db2.gz HDBMMAJXDYUBOU-UHFFFAOYSA-N 0 0 402.495 1.234 20 10 HDCDRN CNC(=O)C1(C(=O)O[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000730046766 1076420457 /nfs/dbraw/zinc/42/04/57/1076420457.db2.gz VOVHCBTVZSPDAW-LBPRGKRZSA-N 0 0 420.421 1.858 20 10 HDCDRN Cn1cc(CN2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)cn1 ZINC000730064526 1076433417 /nfs/dbraw/zinc/43/34/17/1076433417.db2.gz FXWDFRPOIBKFGS-UHFFFAOYSA-N 0 0 416.501 1.423 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cn3cnc4c3ncnc4N)cc2F)C[C@@H](C)O1 ZINC000730106220 1076439860 /nfs/dbraw/zinc/43/98/60/1076439860.db2.gz WKJHGUFCQBKWPH-CHWSQXEVSA-N 0 0 413.457 1.478 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CSCCS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000730464970 1076579831 /nfs/dbraw/zinc/57/98/31/1076579831.db2.gz QKPAOWRAEBGVFZ-OKILXGFUSA-N 0 0 418.556 1.833 20 10 HDCDRN O=C(NCCS(=O)(=O)N1CCSCC1)NCc1ccc(N2CCCC2)cc1 ZINC000730579732 1076601575 /nfs/dbraw/zinc/60/15/75/1076601575.db2.gz GIPZMNHFTGVGSZ-UHFFFAOYSA-N 0 0 412.581 1.465 20 10 HDCDRN Cc1cc(C(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000730571963 1076606240 /nfs/dbraw/zinc/60/62/40/1076606240.db2.gz ZQSNKHWLZYQQQS-MRXNPFEDSA-N 0 0 422.526 1.921 20 10 HDCDRN COC(C)(C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000730881620 1076675335 /nfs/dbraw/zinc/67/53/35/1076675335.db2.gz AGFMHOZRMYPVGC-UHFFFAOYSA-N 0 0 408.476 1.892 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)N[C@H](C)c3nnc4n3CCC4)CC2)cc1 ZINC000730935452 1076696017 /nfs/dbraw/zinc/69/60/17/1076696017.db2.gz CMOMYBAXSFTOEA-MRXNPFEDSA-N 0 0 413.526 1.415 20 10 HDCDRN O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001320749157 1126170192 /nfs/dbraw/zinc/17/01/92/1126170192.db2.gz VHSKEIBMYLTKTM-NRFANRHFSA-N 0 0 407.474 1.889 20 10 HDCDRN Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)cn1C ZINC000033027067 558848650 /nfs/dbraw/zinc/84/86/50/558848650.db2.gz DDJISXSLHRUUHV-UHFFFAOYSA-N 0 0 419.551 1.512 20 10 HDCDRN C[C@H](NC(=O)NCc1cccc(S(N)(=O)=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000140924996 1074742274 /nfs/dbraw/zinc/74/22/74/1074742274.db2.gz JKUFDGOMYXXSQL-HNNXBMFYSA-N 0 0 418.519 1.731 20 10 HDCDRN C[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1ccc(N2CCOCC2)cc1 ZINC000731472991 1075359247 /nfs/dbraw/zinc/35/92/47/1075359247.db2.gz LYVXRZRPQFFIGL-HXJYWVFZSA-N 0 0 400.479 1.469 20 10 HDCDRN C[C@@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000731727623 1075494874 /nfs/dbraw/zinc/49/48/74/1075494874.db2.gz NKJIJYBVUHABGR-LLVKDONJSA-N 0 0 406.394 1.598 20 10 HDCDRN COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000731844098 1075529303 /nfs/dbraw/zinc/52/93/03/1075529303.db2.gz KMRDMPXSOAQZBC-PXAZEXFGSA-N 0 0 408.410 1.009 20 10 HDCDRN CN(CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C ZINC000804182901 1075614052 /nfs/dbraw/zinc/61/40/52/1075614052.db2.gz GUUKISMAPUABFY-UHFFFAOYSA-N 0 0 402.495 1.662 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(S(=O)(=O)NC)CC2)cc1F ZINC000732247185 1075679824 /nfs/dbraw/zinc/67/98/24/1075679824.db2.gz BFSOGFJODIUUBO-UHFFFAOYSA-N 0 0 400.520 1.895 20 10 HDCDRN C[C@@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732359176 1075722124 /nfs/dbraw/zinc/72/21/24/1075722124.db2.gz UGRDPDYJQOIDDG-BMIGLBTASA-N 0 0 407.382 1.014 20 10 HDCDRN CCOCCN1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000732449144 1075740525 /nfs/dbraw/zinc/74/05/25/1075740525.db2.gz JBGYJBYKWWAFMB-IBGZPJMESA-N 0 0 417.554 1.252 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@@H]3C3OCCO3)cc2)C1 ZINC000732451595 1075742318 /nfs/dbraw/zinc/74/23/18/1075742318.db2.gz XHFPKQQSQBXJCX-PKOBYXMFSA-N 0 0 416.522 1.825 20 10 HDCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000732473987 1075756438 /nfs/dbraw/zinc/75/64/38/1075756438.db2.gz UQERZUCXZUNAAQ-UKRRQHHQSA-N 0 0 415.512 1.250 20 10 HDCDRN COCCN(C(=O)C=Cc1cnc(C)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000732728192 1075844164 /nfs/dbraw/zinc/84/41/64/1075844164.db2.gz VQEYRXUHFZQSNF-AATRIKPKSA-N 0 0 407.496 1.645 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)O[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000732841641 1075883809 /nfs/dbraw/zinc/88/38/09/1075883809.db2.gz HIAXGCFEUZBBJX-MRXNPFEDSA-N 0 0 408.407 1.865 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCN3CCOCC3)cc2F)C[C@H](C)O1 ZINC000732871739 1075902159 /nfs/dbraw/zinc/90/21/59/1075902159.db2.gz MMMYSNVEIWELKV-HDICACEKSA-N 0 0 422.545 1.320 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(Cl)nc3)CC2)cc1 ZINC000732923306 1075914649 /nfs/dbraw/zinc/91/46/49/1075914649.db2.gz VEALUKPKVKSWFF-UHFFFAOYSA-N 0 0 410.927 1.844 20 10 HDCDRN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000733002848 1075933803 /nfs/dbraw/zinc/93/38/03/1075933803.db2.gz ZPMJPBHJASAKJY-ZDUSSCGKSA-N 0 0 411.524 1.778 20 10 HDCDRN CC1(CNC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)COC1 ZINC000732997409 1075943626 /nfs/dbraw/zinc/94/36/26/1075943626.db2.gz ZHOGVZKAUKEQDR-UHFFFAOYSA-N 0 0 414.485 1.778 20 10 HDCDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733310343 1076036079 /nfs/dbraw/zinc/03/60/79/1076036079.db2.gz FOAMYVDQMHTWGC-HUUCEWRRSA-N 0 0 415.531 1.032 20 10 HDCDRN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733310342 1076036131 /nfs/dbraw/zinc/03/61/31/1076036131.db2.gz FOAMYVDQMHTWGC-GJZGRUSLSA-N 0 0 415.531 1.032 20 10 HDCDRN COCCOc1cccc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)c1 ZINC000727177260 1076081729 /nfs/dbraw/zinc/08/17/29/1076081729.db2.gz YLBCUWKXJRUZMQ-SDNWHVSQSA-N 0 0 416.546 1.462 20 10 HDCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)c1 ZINC000733632210 1076134189 /nfs/dbraw/zinc/13/41/89/1076134189.db2.gz YAYYIUSESMMBHY-LBPRGKRZSA-N 0 0 400.435 1.889 20 10 HDCDRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000733643970 1076137397 /nfs/dbraw/zinc/13/73/97/1076137397.db2.gz CQULZSXXKFAYRA-WBVHZDCISA-N 0 0 424.567 1.353 20 10 HDCDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000733643925 1076138024 /nfs/dbraw/zinc/13/80/24/1076138024.db2.gz BBLDZVQMYTXJSX-ZIAGYGMSSA-N 0 0 415.531 1.750 20 10 HDCDRN C[C@H](CS(C)(=O)=O)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000733645052 1076138443 /nfs/dbraw/zinc/13/84/43/1076138443.db2.gz DLQQTHGWNJCBNE-GFCCVEGCSA-N 0 0 405.467 1.989 20 10 HDCDRN COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1O ZINC000727761370 1076217370 /nfs/dbraw/zinc/21/73/70/1076217370.db2.gz XINHCXGIGFCMRC-UHFFFAOYSA-N 0 0 421.475 1.296 20 10 HDCDRN COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1O ZINC000727762590 1076217786 /nfs/dbraw/zinc/21/77/86/1076217786.db2.gz QEFVXUNIFKXUIY-UHFFFAOYSA-N 0 0 405.476 1.513 20 10 HDCDRN COc1cccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1O ZINC000727762340 1076217789 /nfs/dbraw/zinc/21/77/89/1076217789.db2.gz JYYJGVFRCKUZNV-HXUWFJFHSA-N 0 0 401.394 1.623 20 10 HDCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727768250 1076221345 /nfs/dbraw/zinc/22/13/45/1076221345.db2.gz YDVVVVBAYRMYEH-GOSISDBHSA-N 0 0 418.544 1.586 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)CCC(C)C)CC2)cc1 ZINC000727769184 1076221935 /nfs/dbraw/zinc/22/19/35/1076221935.db2.gz XMUIXNSSFBFFEE-UHFFFAOYSA-N 0 0 405.495 1.439 20 10 HDCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000733856028 1076232438 /nfs/dbraw/zinc/23/24/38/1076232438.db2.gz OMYHVYCKQGFESY-UHFFFAOYSA-N 0 0 410.499 1.989 20 10 HDCDRN CCOC(=O)N1CCN(S(=O)(=O)NCc2cccc(Br)c2O)CC1 ZINC000766199877 1076262791 /nfs/dbraw/zinc/26/27/91/1076262791.db2.gz KJLIJJIXAZNCQA-UHFFFAOYSA-N 0 0 422.301 1.263 20 10 HDCDRN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2cccc(Br)c2O)C1 ZINC000766199900 1076263379 /nfs/dbraw/zinc/26/33/79/1076263379.db2.gz KQLNSVQUSXOVBN-LBPRGKRZSA-N 0 0 421.313 1.764 20 10 HDCDRN COC(=O)[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733995315 1076287175 /nfs/dbraw/zinc/28/71/75/1076287175.db2.gz BAMHYXTVOGWBCA-DOXZYTNZSA-N 0 0 407.486 1.693 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC000734014875 1076290358 /nfs/dbraw/zinc/29/03/58/1076290358.db2.gz HZDOXUARRWPISX-UHFFFAOYSA-N 0 0 406.460 1.588 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)c1 ZINC000734016780 1076290629 /nfs/dbraw/zinc/29/06/29/1076290629.db2.gz FXJRBIWLQXFYQS-UHFFFAOYSA-N 0 0 402.428 1.638 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000734016586 1076290772 /nfs/dbraw/zinc/29/07/72/1076290772.db2.gz UIHVQDPWVOCQCO-UHFFFAOYSA-N 0 0 400.403 1.664 20 10 HDCDRN CCS(=O)(=O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000727938045 1076290983 /nfs/dbraw/zinc/29/09/83/1076290983.db2.gz PPQSDRGZVAYTFW-ZIAGYGMSSA-N 0 0 401.504 1.673 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c1 ZINC000734017663 1076291003 /nfs/dbraw/zinc/29/10/03/1076291003.db2.gz VHCJEFVLFAATJH-UHFFFAOYSA-N 0 0 404.488 1.561 20 10 HDCDRN COc1ccc(O)c(CNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c1 ZINC000734070142 1076300795 /nfs/dbraw/zinc/30/07/95/1076300795.db2.gz CFKPZWHRUTXBCG-UHFFFAOYSA-N 0 0 413.478 1.497 20 10 HDCDRN CCOC(=O)COc1cccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)c1 ZINC000734072610 1076301611 /nfs/dbraw/zinc/30/16/11/1076301611.db2.gz JPUMTXPZNPHUGB-UHFFFAOYSA-N 0 0 402.403 1.598 20 10 HDCDRN Nc1c(C(=O)OCC(=O)NC2CCOCC2)ccc2c1C(=O)c1ccccc1C2=O ZINC000728087202 1076325584 /nfs/dbraw/zinc/32/55/84/1076325584.db2.gz YYHVCPGSTPTSOZ-UHFFFAOYSA-N 0 0 408.410 1.496 20 10 HDCDRN CNC(=O)C1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CC1 ZINC000729969443 1076399982 /nfs/dbraw/zinc/39/99/82/1076399982.db2.gz ZTCIHNRYBYYSKG-UHFFFAOYSA-N 0 0 412.469 1.085 20 10 HDCDRN O=C(NCCCN1C(=O)CCC1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000730029483 1076413001 /nfs/dbraw/zinc/41/30/01/1076413001.db2.gz QWIAVTPVRLLFMQ-UHFFFAOYSA-N 0 0 406.458 1.125 20 10 HDCDRN Cn1ccc(NC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 ZINC000730423469 1076575779 /nfs/dbraw/zinc/57/57/79/1076575779.db2.gz OUDGXXXOCJGCIE-UHFFFAOYSA-N 0 0 410.457 1.998 20 10 HDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000730582339 1076602414 /nfs/dbraw/zinc/60/24/14/1076602414.db2.gz SGBRZQIZLXFEML-UHFFFAOYSA-N 0 0 407.478 1.841 20 10 HDCDRN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000730811324 1076667077 /nfs/dbraw/zinc/66/70/77/1076667077.db2.gz JWLGUBKECCYNET-CQSZACIVSA-N 0 0 421.475 1.246 20 10 HDCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1S(N)(=O)=O ZINC000730842519 1076670846 /nfs/dbraw/zinc/67/08/46/1076670846.db2.gz HDWRFPRTSLIYAL-HNNXBMFYSA-N 0 0 403.504 1.970 20 10 HDCDRN Cc1cc(C(=O)COC(=O)[C@@H](O)C2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000730881812 1076675951 /nfs/dbraw/zinc/67/59/51/1076675951.db2.gz YPFLCIGJVOANLL-SFHVURJKSA-N 0 0 406.460 1.238 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCCN3C(=O)CNC3=O)cc2F)C[C@@H](C)O1 ZINC000731045297 1076713276 /nfs/dbraw/zinc/71/32/76/1076713276.db2.gz AXDSMIUWRKOABS-ZIAGYGMSSA-N 0 0 421.473 1.180 20 10 HDCDRN NC(=O)COc1ccccc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001626090353 1073611316 /nfs/dbraw/zinc/61/13/16/1073611316.db2.gz DFDUEALBOMFMTH-UHFFFAOYSA-N 0 0 410.474 1.182 20 10 HDCDRN O=S(=O)(CCCN1CCOCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000766055335 1074123672 /nfs/dbraw/zinc/12/36/72/1074123672.db2.gz SLNMXPABVGZPQW-UHFFFAOYSA-N 0 0 411.568 1.037 20 10 HDCDRN C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000141016694 1075314497 /nfs/dbraw/zinc/31/44/97/1075314497.db2.gz CGNABOUFYWTUOW-HNNXBMFYSA-N 0 0 410.540 1.307 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)cc1F ZINC000731408603 1075333814 /nfs/dbraw/zinc/33/38/14/1075333814.db2.gz AAFKPVSDKXMPMU-UHFFFAOYSA-N 0 0 416.453 1.791 20 10 HDCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000731457382 1075364941 /nfs/dbraw/zinc/36/49/41/1075364941.db2.gz IGMSKSKFCMNMFD-UHFFFAOYSA-N 0 0 424.486 1.628 20 10 HDCDRN NC(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)nn1-c1ccccc1 ZINC000731896302 1075561419 /nfs/dbraw/zinc/56/14/19/1075561419.db2.gz FZNBQSGAMFMNMH-UHFFFAOYSA-N 0 0 405.458 1.738 20 10 HDCDRN CNC(=O)c1cncc(/C=C\C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c1 ZINC000731965272 1075577915 /nfs/dbraw/zinc/57/79/15/1075577915.db2.gz WEJRVVIATAHTCV-DAXSKMNVSA-N 0 0 414.487 1.294 20 10 HDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000732062848 1075598930 /nfs/dbraw/zinc/59/89/30/1075598930.db2.gz OIDDFPMIGHVFFA-OAQYLSRUSA-N 0 0 416.566 1.814 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)CN(C)CCn3cccn3)cc2F)C[C@H](C)O1 ZINC000732209799 1075666423 /nfs/dbraw/zinc/66/64/23/1075666423.db2.gz SRIMTAMZEZQKBC-IRXDYDNUSA-N 0 0 403.502 1.884 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](N4CCCC4=O)C3)CC2)cc1 ZINC000732213187 1075669466 /nfs/dbraw/zinc/66/94/66/1075669466.db2.gz YTORGRCJJVZBQR-IBGZPJMESA-N 0 0 400.523 1.431 20 10 HDCDRN COCCN(C)S(=O)(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000732215883 1075670325 /nfs/dbraw/zinc/67/03/25/1075670325.db2.gz IWNVTJXTBVZHBR-UHFFFAOYSA-N 0 0 411.446 1.455 20 10 HDCDRN COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000732218245 1075672545 /nfs/dbraw/zinc/67/25/45/1075672545.db2.gz WVHSVYXIKLJHAG-UHFFFAOYSA-N 0 0 408.480 1.414 20 10 HDCDRN CNC(=O)[C@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1 ZINC000732203363 1075675686 /nfs/dbraw/zinc/67/56/86/1075675686.db2.gz RDLILKLRNASYEK-SIKLNZKXSA-N 0 0 411.502 1.977 20 10 HDCDRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C2=CC(=O)CS2)C1=O ZINC000732354143 1075720187 /nfs/dbraw/zinc/72/01/87/1075720187.db2.gz FGALQETXIDGJMY-GOSISDBHSA-N 0 0 403.416 1.499 20 10 HDCDRN COC[C@](C)(O)CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000732702140 1075836180 /nfs/dbraw/zinc/83/61/80/1075836180.db2.gz RFDGWTZIWNKSMG-QGZVFWFLSA-N 0 0 405.417 1.739 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H](N3CCCCC3=O)C1)cc2=O ZINC000732812223 1075873429 /nfs/dbraw/zinc/87/34/29/1075873429.db2.gz LQQPUOHOKFFSJW-HNNXBMFYSA-N 0 0 401.467 1.589 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)c3ncn(C)c3Cl)CC2)cc1 ZINC000732923281 1075914622 /nfs/dbraw/zinc/91/46/22/1075914622.db2.gz SJKZIBROZQYHBM-UHFFFAOYSA-N 0 0 413.931 1.183 20 10 HDCDRN COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000733312698 1076036941 /nfs/dbraw/zinc/03/69/41/1076036941.db2.gz PPOGDYCMGZNAPE-UHFFFAOYSA-N 0 0 404.488 1.922 20 10 HDCDRN COc1ccc(N2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)cc1 ZINC000733368814 1076056199 /nfs/dbraw/zinc/05/61/99/1076056199.db2.gz DUTUSJNRMWZPOY-UHFFFAOYSA-N 0 0 407.467 1.834 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000727177893 1076070529 /nfs/dbraw/zinc/07/05/29/1076070529.db2.gz IKXUOFRHPSRXNC-IBGZPJMESA-N 0 0 416.522 1.304 20 10 HDCDRN CCOc1cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)ccc1O ZINC000727177410 1076081405 /nfs/dbraw/zinc/08/14/05/1076081405.db2.gz HYPYMNKUWWNANX-LCYFTJDESA-N 0 0 402.519 1.541 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2cnc(-c3ccccc3)nc2)SC1=S ZINC000727177294 1076081672 /nfs/dbraw/zinc/08/16/72/1076081672.db2.gz ZHNHMZDDNDNULE-ZROIWOOFSA-N 0 0 420.541 1.894 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc(O)cc3)cc2)C1 ZINC000727484766 1076141003 /nfs/dbraw/zinc/14/10/03/1076141003.db2.gz CPQIPXYQFJDSMK-KRWDZBQOSA-N 0 0 410.474 1.140 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)c3ccc(O)cc3)cc2)C1 ZINC000727484768 1076141065 /nfs/dbraw/zinc/14/10/65/1076141065.db2.gz CPQIPXYQFJDSMK-QGZVFWFLSA-N 0 0 410.474 1.140 20 10 HDCDRN C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733649207 1076141264 /nfs/dbraw/zinc/14/12/64/1076141264.db2.gz XTQNGOPVZYCEMR-RDBSUJKOSA-N 0 0 401.504 1.672 20 10 HDCDRN O=C(NCCN1C(=O)CCC1=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000733802383 1076209419 /nfs/dbraw/zinc/20/94/19/1076209419.db2.gz KHNWNLNEWBUNET-UHFFFAOYSA-N 0 0 410.421 1.705 20 10 HDCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000733856555 1076231758 /nfs/dbraw/zinc/23/17/58/1076231758.db2.gz VUTVLTKDECOPMQ-UHFFFAOYSA-N 0 0 422.485 1.645 20 10 HDCDRN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccc(N2CCOCC2)cc1 ZINC000733856744 1076232827 /nfs/dbraw/zinc/23/28/27/1076232827.db2.gz ZAAFLIAGRJNPFS-AWEZNQCLSA-N 0 0 408.458 1.834 20 10 HDCDRN COc1ccc(S(=O)(=O)NCc2cccc(Br)c2O)cc1C(N)=O ZINC000766199296 1076263070 /nfs/dbraw/zinc/26/30/70/1076263070.db2.gz CGHDNDKJFZINOX-UHFFFAOYSA-N 0 0 415.265 1.741 20 10 HDCDRN O=C(CCn1cc[nH]c(=O)c1=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000727856218 1076273416 /nfs/dbraw/zinc/27/34/16/1076273416.db2.gz ZKCUSHDAXQVPBE-UHFFFAOYSA-N 0 0 408.405 1.313 20 10 HDCDRN O=C(NCCCSc1nccs1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000733973407 1076279289 /nfs/dbraw/zinc/27/92/89/1076279289.db2.gz IIUGINYQUJDNQK-UHFFFAOYSA-N 0 0 404.525 1.491 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000734018937 1076291234 /nfs/dbraw/zinc/29/12/34/1076291234.db2.gz PKYJJZKHYQSZCQ-UHFFFAOYSA-N 0 0 404.419 1.473 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 ZINC000734072662 1076301571 /nfs/dbraw/zinc/30/15/71/1076301571.db2.gz MIMDNUPZJAJEIH-UHFFFAOYSA-N 0 0 413.430 1.128 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)c1 ZINC000734072721 1076301624 /nfs/dbraw/zinc/30/16/24/1076301624.db2.gz PFHGBDGMSFWVHB-UHFFFAOYSA-N 0 0 423.425 1.662 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCS(C)(=O)=O)cc2F)C[C@@H](C)O1 ZINC000728130285 1076339015 /nfs/dbraw/zinc/33/90/15/1076339015.db2.gz XEUGRHSIRNDVNW-ZIAGYGMSSA-N 0 0 401.504 1.625 20 10 HDCDRN C[C@H](NC(=O)N1CCN(Cc2nccn2C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000730066667 1076433815 /nfs/dbraw/zinc/43/38/15/1076433815.db2.gz MWJXGFOHQFPOQL-SFHVURJKSA-N 0 0 412.538 1.845 20 10 HDCDRN O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)N[C@@H]1CCCOC1 ZINC000730066655 1076433848 /nfs/dbraw/zinc/43/38/48/1076433848.db2.gz MOQMGCLLGWVKCN-QGZVFWFLSA-N 0 0 414.485 1.921 20 10 HDCDRN C[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000730118841 1076463125 /nfs/dbraw/zinc/46/31/25/1076463125.db2.gz NLRRFTRBVJUGKG-GFCCVEGCSA-N 0 0 400.401 1.572 20 10 HDCDRN CCCC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000730211414 1076478016 /nfs/dbraw/zinc/47/80/16/1076478016.db2.gz UDDPSDJBFGLMOP-IBGZPJMESA-N 0 0 421.563 1.719 20 10 HDCDRN CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000730312510 1076527541 /nfs/dbraw/zinc/52/75/41/1076527541.db2.gz QKAOMBAQIDIAOJ-QGZVFWFLSA-N 0 0 421.519 1.199 20 10 HDCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1c[nH]nc1-c1cccnc1 ZINC000730420609 1076575804 /nfs/dbraw/zinc/57/58/04/1076575804.db2.gz NIQWWTFKSIHZBL-UHFFFAOYSA-N 0 0 411.487 1.637 20 10 HDCDRN CC1CCN(c2ccc(CNC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)cc2)CC1 ZINC000731016882 1076711867 /nfs/dbraw/zinc/71/18/67/1076711867.db2.gz SMNWZZPHNHYEEX-UHFFFAOYSA-N 0 0 421.501 1.799 20 10 HDCDRN C[C@H](NC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)c1ccc(N(C)C)cc1 ZINC000804082109 1075350928 /nfs/dbraw/zinc/35/09/28/1075350928.db2.gz UBQFTTDOZFTZEX-HNNXBMFYSA-N 0 0 414.481 1.544 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NCCOC[C@@H]3CCOC3)cc2)C1 ZINC000731686855 1075450218 /nfs/dbraw/zinc/45/02/18/1075450218.db2.gz CEPNVXLWGNKKET-MSOLQXFVSA-N 0 0 404.511 1.241 20 10 HDCDRN C[C@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000731728498 1075495197 /nfs/dbraw/zinc/49/51/97/1075495197.db2.gz YZJHQODJDRDARS-NSHDSACASA-N 0 0 406.394 1.598 20 10 HDCDRN C[C@@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844387 1075529366 /nfs/dbraw/zinc/52/93/66/1075529366.db2.gz GEEPYCJQCLKZGM-IEBWSBKVSA-N 0 0 403.523 1.890 20 10 HDCDRN COC(=O)CN(CC(=O)NC(=O)NCC(F)(F)F)Cc1cc(Cl)ccc1O ZINC000731844715 1075529690 /nfs/dbraw/zinc/52/96/90/1075529690.db2.gz ICCUHGVMQPLUQQ-UHFFFAOYSA-N 0 0 411.764 1.409 20 10 HDCDRN C[C@@]1(C2CC2)NC(=O)N(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O ZINC000731856107 1075538548 /nfs/dbraw/zinc/53/85/48/1075538548.db2.gz JUYNISVSYNIWRW-KKSFZXQISA-N 0 0 401.463 1.620 20 10 HDCDRN Cn1c(=O)c2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)nc2n(C)c1=O ZINC000731856853 1075539006 /nfs/dbraw/zinc/53/90/06/1075539006.db2.gz UIXDIURCTORVHW-HNNXBMFYSA-N 0 0 424.457 1.159 20 10 HDCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000804145754 1075545316 /nfs/dbraw/zinc/54/53/16/1075545316.db2.gz DUTBWVWYNKSNKI-SDQPKGBYSA-N 0 0 408.501 2.000 20 10 HDCDRN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)Cc3ccccc3O)C2=O)c1 ZINC000731843030 1075547987 /nfs/dbraw/zinc/54/79/87/1075547987.db2.gz NZHNQPNBYHTBPH-OAQYLSRUSA-N 0 0 412.446 1.331 20 10 HDCDRN CN(C)S(=O)(=O)CCCOC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000731917159 1075570055 /nfs/dbraw/zinc/57/00/55/1075570055.db2.gz AZXFPONDWNSHKE-UHFFFAOYSA-N 0 0 401.440 1.900 20 10 HDCDRN CN1CCCc2cc(CNC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc21 ZINC000731981265 1075582974 /nfs/dbraw/zinc/58/29/74/1075582974.db2.gz NNLREHSYCYDOFK-NRFANRHFSA-N 0 0 414.550 1.399 20 10 HDCDRN CNC(=O)[C@H]1CCCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC000732206779 1075664099 /nfs/dbraw/zinc/66/40/99/1075664099.db2.gz BOSOFFWFSQEILO-AWEZNQCLSA-N 0 0 405.454 1.859 20 10 HDCDRN CNC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000732206820 1075664102 /nfs/dbraw/zinc/66/41/02/1075664102.db2.gz FHVLJTFBVYSCGJ-CQSZACIVSA-N 0 0 405.454 1.859 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](N4CCCC4=O)C3)CC2)cc1 ZINC000732213189 1075669502 /nfs/dbraw/zinc/66/95/02/1075669502.db2.gz YTORGRCJJVZBQR-LJQANCHMSA-N 0 0 400.523 1.431 20 10 HDCDRN CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000141684621 1075686753 /nfs/dbraw/zinc/68/67/53/1075686753.db2.gz ALZPXIBTQKBCAO-HNNXBMFYSA-N 0 0 410.474 1.699 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(=O)N3CCOCC3)cc2F)C[C@@H](C)O1 ZINC000732450195 1075740946 /nfs/dbraw/zinc/74/09/46/1075740946.db2.gz ORZHQNCOBSSFKD-HZPDHXFCSA-N 0 0 422.501 1.440 20 10 HDCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@H](CNc2nccn(C)c2=O)C1 ZINC000472223639 1075848139 /nfs/dbraw/zinc/84/81/39/1075848139.db2.gz UMIYYKOEEZCKBZ-INIZCTEOSA-N 0 0 424.505 1.603 20 10 HDCDRN Cc1ccc(OCCNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000785480464 1075870683 /nfs/dbraw/zinc/87/06/83/1075870683.db2.gz BSUJHSFDAYHNGC-UHFFFAOYSA-N 0 0 411.502 1.951 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc4c(c3)CCO4)CC2)cc1 ZINC000732923097 1075915063 /nfs/dbraw/zinc/91/50/63/1075915063.db2.gz NWAODOPHJZHVBR-UHFFFAOYSA-N 0 0 417.531 1.731 20 10 HDCDRN CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000732985914 1075939748 /nfs/dbraw/zinc/93/97/48/1075939748.db2.gz WGWFDBSYADOJIM-HNNXBMFYSA-N 0 0 415.531 1.034 20 10 HDCDRN CN(C)c1ccc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000732989678 1075940721 /nfs/dbraw/zinc/94/07/21/1075940721.db2.gz OPFKLDZQOXYECT-UHFFFAOYSA-N 0 0 404.483 1.816 20 10 HDCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)ccc1N1C(=O)CCC1=O ZINC000733048054 1075954878 /nfs/dbraw/zinc/95/48/78/1075954878.db2.gz LCEMFXKIDGCNBK-UHFFFAOYSA-N 0 0 408.458 1.969 20 10 HDCDRN CN(C)c1cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc(Cl)n1 ZINC000733135852 1075981726 /nfs/dbraw/zinc/98/17/26/1075981726.db2.gz JSPSTGMWINEKDW-UHFFFAOYSA-N 0 0 422.938 1.966 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000727038609 1076031843 /nfs/dbraw/zinc/03/18/43/1076031843.db2.gz ZMMIEADPFDNHMV-UHFFFAOYSA-N 0 0 424.436 1.498 20 10 HDCDRN C[C@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000727040002 1076032307 /nfs/dbraw/zinc/03/23/07/1076032307.db2.gz ZPPQELYELLPWCG-INIZCTEOSA-N 0 0 420.473 1.920 20 10 HDCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)NCCNS(C)(=O)=O)cc1 ZINC000727068416 1076037735 /nfs/dbraw/zinc/03/77/35/1076037735.db2.gz GFEDXSYEDVWPMI-QGZVFWFLSA-N 0 0 414.597 1.157 20 10 HDCDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733342196 1076046755 /nfs/dbraw/zinc/04/67/55/1076046755.db2.gz GTJGHSMFRHRHIJ-ZIAGYGMSSA-N 0 0 401.504 1.625 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2cc3c(c(Cl)c2)OCO3)SC1=S ZINC000727177067 1076070507 /nfs/dbraw/zinc/07/05/07/1076070507.db2.gz BLRXOYQRTZMUGY-IZZDOVSWSA-N 0 0 420.921 1.819 20 10 HDCDRN COc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc(Br)c1O ZINC000727176355 1076070573 /nfs/dbraw/zinc/07/05/73/1076070573.db2.gz KBUIVJTZJQZULW-RUDMXATFSA-N 0 0 403.279 1.850 20 10 HDCDRN CON(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000727238536 1076087885 /nfs/dbraw/zinc/08/78/85/1076087885.db2.gz CLSDSEPOCLQVCD-RIYZIHGNSA-N 0 0 409.489 1.226 20 10 HDCDRN Cc1cc(C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1-c1ccccc1C ZINC000733566268 1076103933 /nfs/dbraw/zinc/10/39/33/1076103933.db2.gz AQNRCQCNEHWRIM-UHFFFAOYSA-N 0 0 411.414 1.549 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)CN2CC(=O)Nc3ccccc32)cc1 ZINC000733612905 1076129166 /nfs/dbraw/zinc/12/91/66/1076129166.db2.gz UATAQRKUBWKWRO-UHFFFAOYSA-N 0 0 410.474 1.713 20 10 HDCDRN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(N2CCOCC2)c(F)c1 ZINC000727464753 1076136398 /nfs/dbraw/zinc/13/63/98/1076136398.db2.gz XBMWUCOOIYVGJD-OAQYLSRUSA-N 0 0 412.465 1.999 20 10 HDCDRN COc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1O ZINC000727763035 1076218336 /nfs/dbraw/zinc/21/83/36/1076218336.db2.gz ZWPQLKLGYCXWCL-INIZCTEOSA-N 0 0 420.487 1.788 20 10 HDCDRN O=C(COC(=O)COc1ccc(O)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733828132 1076220322 /nfs/dbraw/zinc/22/03/22/1076220322.db2.gz VWCVMWDKYKKCOX-UHFFFAOYSA-N 0 0 418.421 1.606 20 10 HDCDRN CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1cccc(Br)c1O ZINC000766199526 1076262844 /nfs/dbraw/zinc/26/28/44/1076262844.db2.gz DUBDGBIIOKTUCX-LBPRGKRZSA-N 0 0 407.286 1.517 20 10 HDCDRN O=C1NCCc2ccc(S(=O)(=O)NCc3cccc(Br)c3O)cc21 ZINC000766201918 1076263607 /nfs/dbraw/zinc/26/36/07/1076263607.db2.gz XRFTVDJEPSJREO-UHFFFAOYSA-N 0 0 411.277 1.919 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CN(C)C(=O)OC(C)(C)C)cc2=O ZINC000727893609 1076277262 /nfs/dbraw/zinc/27/72/62/1076277262.db2.gz MLGWLAHGARTZSL-UHFFFAOYSA-N 0 0 408.411 1.522 20 10 HDCDRN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCCCSc1nccs1 ZINC000733972044 1076278873 /nfs/dbraw/zinc/27/88/73/1076278873.db2.gz JPGYNHPUTKUKQG-UHFFFAOYSA-N 0 0 416.528 1.813 20 10 HDCDRN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCCSc1nccs1 ZINC000733972570 1076278926 /nfs/dbraw/zinc/27/89/26/1076278926.db2.gz ISAJJWPVLQLUAB-HNNXBMFYSA-N 0 0 412.581 1.455 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 ZINC000734018477 1076291222 /nfs/dbraw/zinc/29/12/22/1076291222.db2.gz UHUNKCLLZFFFAH-HXUWFJFHSA-N 0 0 401.394 1.623 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1 ZINC000734072612 1076301556 /nfs/dbraw/zinc/30/15/56/1076301556.db2.gz JSGCYTAKJNVGKD-UHFFFAOYSA-N 0 0 421.475 1.342 20 10 HDCDRN O=C(CN1CCCC[C@@H]1C1OCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000728173072 1076364500 /nfs/dbraw/zinc/36/45/00/1076364500.db2.gz SDNXAYFYRHURGA-LJQANCHMSA-N 0 0 407.486 1.506 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)CN3Cc4ccccc4C3=O)CC2)cc1 ZINC000729968691 1076399514 /nfs/dbraw/zinc/39/95/14/1076399514.db2.gz YJRPKWBZHVTLNH-UHFFFAOYSA-N 0 0 408.502 1.589 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)Cn3cnc4c3ncnc4N)cc2F)C[C@H](C)O1 ZINC000730106222 1076439805 /nfs/dbraw/zinc/43/98/05/1076439805.db2.gz WKJHGUFCQBKWPH-STQMWFEESA-N 0 0 413.457 1.478 20 10 HDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000730096427 1076449469 /nfs/dbraw/zinc/44/94/69/1076449469.db2.gz PFKUKXGEDZEUGB-QXAKKESOSA-N 0 0 421.563 1.479 20 10 HDCDRN CN(C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@H]1CCOC1 ZINC000730120635 1076464129 /nfs/dbraw/zinc/46/41/29/1076464129.db2.gz SHUIQQVRMJCAJB-KRWDZBQOSA-N 0 0 414.485 1.873 20 10 HDCDRN CCOc1cccc(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)n1 ZINC000730286962 1076514414 /nfs/dbraw/zinc/51/44/14/1076514414.db2.gz DETVBOGUJSADNI-UHFFFAOYSA-N 0 0 420.491 1.520 20 10 HDCDRN O=C(NCc1cocn1)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000730823118 1076662260 /nfs/dbraw/zinc/66/22/60/1076662260.db2.gz CVHSNVAFSBCGBY-UHFFFAOYSA-N 0 0 411.441 1.930 20 10 HDCDRN COC(=O)c1ccc(OCCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000731230870 1076760093 /nfs/dbraw/zinc/76/00/93/1076760093.db2.gz AGDKWWROGFZCKW-UHFFFAOYSA-N 0 0 408.432 1.359 20 10 HDCDRN CCN(C1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1)S(C)(=O)=O ZINC000731403743 1075330819 /nfs/dbraw/zinc/33/08/19/1075330819.db2.gz UUTJZHMGIHZPOK-UHFFFAOYSA-N 0 0 400.520 1.847 20 10 HDCDRN COc1ccc(N2CCCN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 ZINC000731473175 1075359239 /nfs/dbraw/zinc/35/92/39/1075359239.db2.gz RLNQEWTZPQYPLI-UHFFFAOYSA-N 0 0 400.479 1.502 20 10 HDCDRN CCc1nc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)cs1 ZINC000731456089 1075363996 /nfs/dbraw/zinc/36/39/96/1075363996.db2.gz XWNOMVLRNRCIBX-UHFFFAOYSA-N 0 0 424.548 1.741 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NCCOC[C@H]3CCOC3)cc2)C1 ZINC000731686861 1075450271 /nfs/dbraw/zinc/45/02/71/1075450271.db2.gz CEPNVXLWGNKKET-ZWKOTPCHSA-N 0 0 404.511 1.241 20 10 HDCDRN O=S(=O)(C[C@H]1CCOC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000731671795 1075456413 /nfs/dbraw/zinc/45/64/13/1075456413.db2.gz RQSMVOGKSUYCBK-ZDUSSCGKSA-N 0 0 408.442 1.998 20 10 HDCDRN C[C@@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000731728496 1075495209 /nfs/dbraw/zinc/49/52/09/1075495209.db2.gz YZJHQODJDRDARS-LLVKDONJSA-N 0 0 406.394 1.598 20 10 HDCDRN C[C@@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000731758489 1075513224 /nfs/dbraw/zinc/51/32/24/1075513224.db2.gz GGHTVDXQFKNESL-QGZVFWFLSA-N 0 0 417.554 1.436 20 10 HDCDRN CCOC(=O)c1cnn(C)c1NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000731844450 1075529355 /nfs/dbraw/zinc/52/93/55/1075529355.db2.gz IINLHYYQNFLZOC-MRXNPFEDSA-N 0 0 416.478 1.922 20 10 HDCDRN Cc1cc(C(=O)CN(CCO)CC2CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000731846197 1075530254 /nfs/dbraw/zinc/53/02/54/1075530254.db2.gz CAISQWPIXXBFOD-UHFFFAOYSA-N 0 0 405.520 1.629 20 10 HDCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000804145756 1075545401 /nfs/dbraw/zinc/54/54/01/1075545401.db2.gz DUTBWVWYNKSNKI-YVARQFDVSA-N 0 0 408.501 2.000 20 10 HDCDRN CN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)Cc1ccccc1O ZINC000731843488 1075547299 /nfs/dbraw/zinc/54/72/99/1075547299.db2.gz KKGUFOJYPMQNMX-JOCHJYFZSA-N 0 0 410.474 1.799 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000731843280 1075547763 /nfs/dbraw/zinc/54/77/63/1075547763.db2.gz NZGAVKFPCYNYMO-SJLPKXTDSA-N 0 0 401.429 1.731 20 10 HDCDRN COc1ccc(-n2c(C)cc(C(=O)NCC(=O)NCCN3CCOCC3)c2C)cc1 ZINC000731887462 1075556074 /nfs/dbraw/zinc/55/60/74/1075556074.db2.gz MAYLMXLIWCKPER-UHFFFAOYSA-N 0 0 414.506 1.281 20 10 HDCDRN CCCCn1c(N)c(N(CC)C(=O)C=Cc2cncc(C(=O)NC)c2)c(=O)[nH]c1=O ZINC000731958068 1075584332 /nfs/dbraw/zinc/58/43/32/1075584332.db2.gz GWGYUTZOXMTSDL-FPLPWBNLSA-N 0 0 414.466 1.152 20 10 HDCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](N(C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000409610113 1075731657 /nfs/dbraw/zinc/73/16/57/1075731657.db2.gz ZCNLQTMCZGVQRV-MRXNPFEDSA-N 0 0 423.521 1.980 20 10 HDCDRN CS(=O)(=O)CCn1ccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000804243670 1075799289 /nfs/dbraw/zinc/79/92/89/1075799289.db2.gz GPDNNANLQXMORQ-UHFFFAOYSA-N 0 0 412.855 1.256 20 10 HDCDRN COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc4c(c3)COC4)CC2)cc1 ZINC000732923349 1075914639 /nfs/dbraw/zinc/91/46/39/1075914639.db2.gz XZLABPFZQXFSKR-UHFFFAOYSA-N 0 0 417.531 1.826 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)c3cc(NC(C)=O)ccc3O)CC2)cc1 ZINC000732924321 1075915017 /nfs/dbraw/zinc/91/50/17/1075915017.db2.gz QZZBQFHDXMYKQA-UHFFFAOYSA-N 0 0 412.490 1.911 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCN3CCCC3=O)cc2F)C[C@H](C)O1 ZINC000732984521 1075938115 /nfs/dbraw/zinc/93/81/15/1075938115.db2.gz BJWGIAABCKNGGN-CALCHBBNSA-N 0 0 420.529 1.610 20 10 HDCDRN CCN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H](C)CS(C)(=O)=O ZINC000732993380 1075942534 /nfs/dbraw/zinc/94/25/34/1075942534.db2.gz HRJMXJJSRRBBON-AWEZNQCLSA-N 0 0 401.504 1.627 20 10 HDCDRN CC(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000733217244 1076013714 /nfs/dbraw/zinc/01/37/14/1076013714.db2.gz IZPAHFHNWITNOP-LBTNJELSSA-N 0 0 415.531 1.629 20 10 HDCDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000733344479 1076042687 /nfs/dbraw/zinc/04/26/87/1076042687.db2.gz BPGGUSBBVMMQBC-CRAIPNDOSA-N 0 0 410.540 1.307 20 10 HDCDRN CC(C)(C)S(=O)(=O)CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000733350826 1076049251 /nfs/dbraw/zinc/04/92/51/1076049251.db2.gz DKYYGFRDGWTXJZ-MRXNPFEDSA-N 0 0 424.567 1.401 20 10 HDCDRN C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000733369746 1076057058 /nfs/dbraw/zinc/05/70/58/1076057058.db2.gz SLIBMPUSHWCGNU-ZDUSSCGKSA-N 0 0 407.467 1.801 20 10 HDCDRN COCCn1c(C)cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)c1C ZINC000727177404 1076081420 /nfs/dbraw/zinc/08/14/20/1076081420.db2.gz HWGFGHLMKBJKBQ-GXDHUFHOSA-N 0 0 417.578 1.502 20 10 HDCDRN CCOc1cc(/C=C2/SC(=S)N(CCNS(C)(=O)=O)C2=O)ccc1O ZINC000727177411 1076081518 /nfs/dbraw/zinc/08/15/18/1076081518.db2.gz HYPYMNKUWWNANX-UKTHLTGXSA-N 0 0 402.519 1.541 20 10 HDCDRN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727242230 1076088773 /nfs/dbraw/zinc/08/87/73/1076088773.db2.gz JMIOEFDZAFUVAI-HNNXBMFYSA-N 0 0 404.536 1.709 20 10 HDCDRN O=C(C=c1[nH]c(=O)c(=Cc2ccc(N3CCOCC3)c(F)c2)s1)c1ccco1 ZINC000727263818 1076090207 /nfs/dbraw/zinc/09/02/07/1076090207.db2.gz IYMLGWJCUZXDAB-UHFFFAOYSA-N 0 0 400.431 1.497 20 10 HDCDRN C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000733642580 1076136265 /nfs/dbraw/zinc/13/62/65/1076136265.db2.gz OEQUFSRMRPLDCY-GFCCVEGCSA-N 0 0 423.457 1.774 20 10 HDCDRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000733647423 1076139115 /nfs/dbraw/zinc/13/91/15/1076139115.db2.gz QGHNLFQHPVJDHJ-CQSZACIVSA-N 0 0 415.531 1.751 20 10 HDCDRN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000733648181 1076140755 /nfs/dbraw/zinc/14/07/55/1076140755.db2.gz RVOWCYQNVBWQBP-INMHGKMJSA-N 0 0 424.567 1.351 20 10 HDCDRN C[C@H](CS(C)(=O)=O)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000733649204 1076141159 /nfs/dbraw/zinc/14/11/59/1076141159.db2.gz XTQNGOPVZYCEMR-MGPQQGTHSA-N 0 0 401.504 1.672 20 10 HDCDRN CCOC(=O)C1CCN(S(=O)(=O)NCc2cccc(Br)c2O)CC1 ZINC000766200569 1076263249 /nfs/dbraw/zinc/26/32/49/1076263249.db2.gz MGYSDKRRGAJUOY-UHFFFAOYSA-N 0 0 421.313 1.764 20 10 HDCDRN O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2cccc(Br)c2O)C1 ZINC000766201306 1076263880 /nfs/dbraw/zinc/26/38/80/1076263880.db2.gz QSFHAWMIKPZQIH-UHFFFAOYSA-N 0 0 417.325 1.975 20 10 HDCDRN COc1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(OC)c1OC ZINC000727858989 1076274243 /nfs/dbraw/zinc/27/42/43/1076274243.db2.gz KTGKQLYYMVYXJF-UHFFFAOYSA-N 0 0 424.475 1.762 20 10 HDCDRN CCS(=O)(=O)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000727937500 1076290273 /nfs/dbraw/zinc/29/02/73/1076290273.db2.gz YFTGUJKGXMAZNC-UHFFFAOYSA-N 0 0 405.467 1.991 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1 ZINC000734015417 1076290393 /nfs/dbraw/zinc/29/03/93/1076290393.db2.gz INMKGXZPBAQZNY-XHSDSOJGSA-N 0 0 406.504 1.924 20 10 HDCDRN COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cc(OC)ccc2O)c1 ZINC000734015962 1076290663 /nfs/dbraw/zinc/29/06/63/1076290663.db2.gz BMBVOXHQCNKUBU-UHFFFAOYSA-N 0 0 408.476 1.564 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)c1 ZINC000734072654 1076301486 /nfs/dbraw/zinc/30/14/86/1076301486.db2.gz MAEWYWXOIJDIGF-UHFFFAOYSA-N 0 0 414.386 1.652 20 10 HDCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000728135089 1076340175 /nfs/dbraw/zinc/34/01/75/1076340175.db2.gz LORHOUZSVUVJJZ-UHFFFAOYSA-N 0 0 400.454 1.983 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCn4cnnc4C3)cc2F)C[C@H](C)O1 ZINC000730006388 1076410891 /nfs/dbraw/zinc/41/08/91/1076410891.db2.gz WMVDNFAEOCRHCB-GJZGRUSLSA-N 0 0 402.474 1.163 20 10 HDCDRN C[C@@H](NC(=O)N1CCN(Cc2cnn(C)c2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000730065913 1076433489 /nfs/dbraw/zinc/43/34/89/1076433489.db2.gz BOUBOYAPQOYRGB-GOSISDBHSA-N 0 0 412.538 1.845 20 10 HDCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1nnc2n1CCC2 ZINC000730936722 1076696388 /nfs/dbraw/zinc/69/63/88/1076696388.db2.gz NEYKFODNETZYNE-ZBFHGGJFSA-N 0 0 411.510 1.486 20 10 HDCDRN COc1ccc(N2CCN(C(=O)Cn3nnnc3CCc3ccccc3)CC2)cc1 ZINC000730949947 1076700547 /nfs/dbraw/zinc/70/05/47/1076700547.db2.gz IZMOBVDWUXXOBA-UHFFFAOYSA-N 0 0 406.490 1.816 20 10 HDCDRN COc1cc(CNC=C2C(=O)NC(=S)N(CC(C)C)C2=O)cc(OC)c1OC ZINC000730981664 1076704406 /nfs/dbraw/zinc/70/44/06/1076704406.db2.gz IFDUYQZQWFJBEE-UKTHLTGXSA-N 0 0 407.492 1.585 20 10 HDCDRN CC1CCN(c2ccc(CNC(=O)NCCS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000731049273 1076713660 /nfs/dbraw/zinc/71/36/60/1076713660.db2.gz SPOAEKXWMLGSKD-UHFFFAOYSA-N 0 0 424.567 1.384 20 10 HDCDRN CC[C@H](CNS(C)(=O)=O)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001273132993 1074173404 /nfs/dbraw/zinc/17/34/04/1074173404.db2.gz HPFZPDLQSMLWLK-CQSZACIVSA-N 0 0 407.536 1.973 20 10 HDCDRN C[C@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000140974493 1075176272 /nfs/dbraw/zinc/17/62/72/1075176272.db2.gz IJBNRQSHKNMWBD-DOTOQJQBSA-N 0 0 410.540 1.307 20 10 HDCDRN C[C@H](NC(=O)N1CCC(N2CCNC2=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000140999557 1075265281 /nfs/dbraw/zinc/26/52/81/1075265281.db2.gz XPHPPRBQALSSKZ-INIZCTEOSA-N 0 0 401.511 1.783 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1F ZINC000731363559 1075309999 /nfs/dbraw/zinc/30/99/99/1075309999.db2.gz IYIOXDOLUOPVOU-HNNXBMFYSA-N 0 0 400.520 1.895 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)cc1F ZINC000731346901 1075311606 /nfs/dbraw/zinc/31/16/06/1075311606.db2.gz ASDBVXLOCCOWOX-UHFFFAOYSA-N 0 0 416.457 1.597 20 10 HDCDRN CC(C)(C)C(=O)NCCNC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000804097393 1075397805 /nfs/dbraw/zinc/39/78/05/1075397805.db2.gz SWQPMWZNEAKRMR-MRXNPFEDSA-N 0 0 405.495 1.178 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)NCCOC[C@@H]3CCOC3)CC2)cc1 ZINC000731681382 1075463725 /nfs/dbraw/zinc/46/37/25/1075463725.db2.gz DBNACPKOZNMBON-GOSISDBHSA-N 0 0 406.527 1.170 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@H]1CCN(c3ccccc3)C1=O)cc2=O ZINC000731847446 1075530649 /nfs/dbraw/zinc/53/06/49/1075530649.db2.gz JDRRXVIIMLQLCP-KRWDZBQOSA-N 0 0 409.446 1.849 20 10 HDCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4c[nH]c(=O)nc4N)CC3)ccc21 ZINC000470952806 1075642732 /nfs/dbraw/zinc/64/27/32/1075642732.db2.gz HULFDQPEXWQCPU-UHFFFAOYSA-N 0 0 424.505 1.945 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCCC[C@@H]1CN1CCCC1=O)cc2=O ZINC000732212728 1075668943 /nfs/dbraw/zinc/66/89/43/1075668943.db2.gz NPQLMJFZRVGBRC-OAHLLOKOSA-N 0 0 401.467 1.589 20 10 HDCDRN O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732201788 1075674612 /nfs/dbraw/zinc/67/46/12/1075674612.db2.gz NUVWZJWJSVWTNA-WMZOPIPTSA-N 0 0 419.419 1.666 20 10 HDCDRN COC(=O)CN(CC(=O)N1CCC[C@H](NC(C)=O)C1)Cc1cc(Cl)ccc1O ZINC000732202799 1075675031 /nfs/dbraw/zinc/67/50/31/1075675031.db2.gz DXNCIQRPYJOSPP-INIZCTEOSA-N 0 0 411.886 1.148 20 10 HDCDRN O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000732241105 1075677596 /nfs/dbraw/zinc/67/75/96/1075677596.db2.gz AWNQZZNEDYURGW-LJQANCHMSA-N 0 0 424.567 1.575 20 10 HDCDRN O=C(COC(=O)C1=CC(=O)CS1)N([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000732352816 1075720247 /nfs/dbraw/zinc/72/02/47/1075720247.db2.gz HZKGXDTVMKFRSG-ZDUSSCGKSA-N 0 0 401.506 1.959 20 10 HDCDRN O=C(COC(=O)C1=CC(=O)CS1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000732354654 1075720494 /nfs/dbraw/zinc/72/04/94/1075720494.db2.gz PLYRVZAPXZVACE-UHFFFAOYSA-N 0 0 404.444 1.399 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)cc1 ZINC000732432710 1075743903 /nfs/dbraw/zinc/74/39/03/1075743903.db2.gz OPQFSDGOEHGZKO-UHFFFAOYSA-N 0 0 415.469 1.877 20 10 HDCDRN Cc1cc(C(=O)COC(=O)Cn2ncn3nccc3c2=O)c(C)n1-c1cccc(F)c1 ZINC000732863933 1075889280 /nfs/dbraw/zinc/88/92/80/1075889280.db2.gz GAHKEHGAEQXXLS-UHFFFAOYSA-N 0 0 423.404 1.864 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)CN(C)CCN3CCOCC3)cc2F)C[C@H](C)O1 ZINC000732871745 1075902115 /nfs/dbraw/zinc/90/21/15/1075902115.db2.gz MMMYSNVEIWELKV-ROUUACIJSA-N 0 0 422.545 1.320 20 10 HDCDRN CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H](C)CS(C)(=O)=O ZINC000733039788 1075961818 /nfs/dbraw/zinc/96/18/18/1075961818.db2.gz RRFRZYVLNXGNFH-WBVHZDCISA-N 0 0 424.567 1.353 20 10 HDCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000727040004 1076032358 /nfs/dbraw/zinc/03/23/58/1076032358.db2.gz ZPPQELYELLPWCG-MRXNPFEDSA-N 0 0 420.473 1.920 20 10 HDCDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733310341 1076036105 /nfs/dbraw/zinc/03/61/05/1076036105.db2.gz FOAMYVDQMHTWGC-CABCVRRESA-N 0 0 415.531 1.032 20 10 HDCDRN COC(=O)Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000733314272 1076037596 /nfs/dbraw/zinc/03/75/96/1076037596.db2.gz MVCMWNGMNQKUQS-UHFFFAOYSA-N 0 0 404.488 1.717 20 10 HDCDRN C[C@@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(=O)C1CCCC1 ZINC000727102297 1076045214 /nfs/dbraw/zinc/04/52/14/1076045214.db2.gz YZUWBGOKDSNDEE-INIZCTEOSA-N 0 0 421.563 1.623 20 10 HDCDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000733342325 1076047038 /nfs/dbraw/zinc/04/70/38/1076047038.db2.gz JJFXENPDFJAYAX-QGZVFWFLSA-N 0 0 412.581 1.463 20 10 HDCDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000733342323 1076047120 /nfs/dbraw/zinc/04/71/20/1076047120.db2.gz JJFXENPDFJAYAX-KRWDZBQOSA-N 0 0 412.581 1.463 20 10 HDCDRN COCCn1c(C)cc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)c1C ZINC000727177405 1076081456 /nfs/dbraw/zinc/08/14/56/1076081456.db2.gz HWGFGHLMKBJKBQ-UVTDQMKNSA-N 0 0 417.578 1.502 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2cnc(-c3ccccc3)nc2)SC1=S ZINC000727177293 1076081649 /nfs/dbraw/zinc/08/16/49/1076081649.db2.gz ZHNHMZDDNDNULE-NTEUORMPSA-N 0 0 420.541 1.894 20 10 HDCDRN C[C@@H](CS(C)(=O)=O)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000733642581 1076136377 /nfs/dbraw/zinc/13/63/77/1076136377.db2.gz OEQUFSRMRPLDCY-LBPRGKRZSA-N 0 0 423.457 1.774 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCN3C(=O)CCC3=O)cc2F)C[C@H](C)O1 ZINC000733804133 1076209731 /nfs/dbraw/zinc/20/97/31/1076209731.db2.gz YENQKQGYYWELON-OKILXGFUSA-N 0 0 406.458 1.388 20 10 HDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc(-c2ncccn2)no1 ZINC000727728218 1076213004 /nfs/dbraw/zinc/21/30/04/1076213004.db2.gz ZITPINLBUYVBSF-UHFFFAOYSA-N 0 0 408.462 1.954 20 10 HDCDRN CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(OC)c2O)cc1 ZINC000727761291 1076217373 /nfs/dbraw/zinc/21/73/73/1076217373.db2.gz UTKQSBJUPROKIS-UHFFFAOYSA-N 0 0 408.476 1.784 20 10 HDCDRN COc1cccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1O ZINC000727762333 1076217764 /nfs/dbraw/zinc/21/77/64/1076217764.db2.gz JYYJGVFRCKUZNV-FQEVSTJZSA-N 0 0 401.394 1.623 20 10 HDCDRN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccc(N2CCOCC2)cc1 ZINC000733856746 1076232720 /nfs/dbraw/zinc/23/27/20/1076232720.db2.gz ZAAFLIAGRJNPFS-CQSZACIVSA-N 0 0 408.458 1.834 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)CN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000727893393 1076277211 /nfs/dbraw/zinc/27/72/11/1076277211.db2.gz HFWSUXYHKNTNRR-UHFFFAOYSA-N 0 0 421.494 1.754 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCCN(C(=O)C(C)C)CC3)CC2)cc1 ZINC000727931219 1076288266 /nfs/dbraw/zinc/28/82/66/1076288266.db2.gz JKZCQWOLDORCAW-UHFFFAOYSA-N 0 0 402.539 1.534 20 10 HDCDRN CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734017330 1076290996 /nfs/dbraw/zinc/29/09/96/1076290996.db2.gz CWLSQFGYLPAPGC-UHFFFAOYSA-N 0 0 408.476 1.784 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1 ZINC000734072889 1076301086 /nfs/dbraw/zinc/30/10/86/1076301086.db2.gz SOBSCSJUTLSNIM-KBPBESRZSA-N 0 0 414.462 1.664 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(-n3cncn3)c(Cl)c2)c1 ZINC000734072523 1076301920 /nfs/dbraw/zinc/30/19/20/1076301920.db2.gz DYFYLRKZUJRIJS-UHFFFAOYSA-N 0 0 401.810 1.890 20 10 HDCDRN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000730096430 1076449424 /nfs/dbraw/zinc/44/94/24/1076449424.db2.gz PXLAHOPONMNQKX-UHFFFAOYSA-N 0 0 423.517 1.916 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)N[C@@H](C)c3nnc4n3CCC4)CC2)cc1 ZINC000730935232 1076695980 /nfs/dbraw/zinc/69/59/80/1076695980.db2.gz CMOMYBAXSFTOEA-INIZCTEOSA-N 0 0 413.526 1.415 20 10 HDCDRN Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1C ZINC000731015823 1076711475 /nfs/dbraw/zinc/71/14/75/1076711475.db2.gz IFIUMCJPAOKUQK-UHFFFAOYSA-N 0 0 419.551 1.560 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN[C@@H](C(=O)OC)c1ccc(OC)cc1)cc2=O ZINC000731032979 1076714734 /nfs/dbraw/zinc/71/47/34/1076714734.db2.gz RFIUTBBSDIPJPB-QGZVFWFLSA-N 0 0 414.418 1.624 20 10 HDCDRN CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cn1 ZINC001626094911 1074086822 /nfs/dbraw/zinc/08/68/22/1074086822.db2.gz MGLFJHPDDWBEJE-UHFFFAOYSA-N 0 0 416.503 1.117 20 10 HDCDRN CC[C@@H](CNS(C)(=O)=O)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001273132992 1074173286 /nfs/dbraw/zinc/17/32/86/1074173286.db2.gz HPFZPDLQSMLWLK-AWEZNQCLSA-N 0 0 407.536 1.973 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3C[C@H](CO)OC[C@H]3C)cc2F)C[C@@H](C)O1 ZINC000766098015 1074761776 /nfs/dbraw/zinc/76/17/76/1074761776.db2.gz KBYDHJLNLXYAJH-YFHUEUNASA-N 0 0 409.502 1.137 20 10 HDCDRN C[C@@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(N2CCOCC2)cc1 ZINC000140974680 1075176367 /nfs/dbraw/zinc/17/63/67/1075176367.db2.gz IJBNRQSHKNMWBD-NVXWUHKLSA-N 0 0 410.540 1.307 20 10 HDCDRN CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000141006190 1075280860 /nfs/dbraw/zinc/28/08/60/1075280860.db2.gz DZRRQZRVFFBRPF-INIZCTEOSA-N 0 0 412.556 1.555 20 10 HDCDRN CCN(CC)c1ccc(CNS(=O)(=O)N2CCC(C(=O)OC)CC2)cc1F ZINC000731356383 1075319811 /nfs/dbraw/zinc/31/98/11/1075319811.db2.gz FEVVZNCAYJPKAJ-UHFFFAOYSA-N 0 0 401.504 1.891 20 10 HDCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1cc2c([nH]c1=O)CCCC2 ZINC000731612264 1075400289 /nfs/dbraw/zinc/40/02/89/1075400289.db2.gz STTOVKYVKYIVSW-UHFFFAOYSA-N 0 0 415.515 1.831 20 10 HDCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1C ZINC000731596353 1075404240 /nfs/dbraw/zinc/40/42/40/1075404240.db2.gz DNGUARQDRJCSAE-UHFFFAOYSA-N 0 0 423.472 1.441 20 10 HDCDRN COc1ccc(N2CCCN(C(=O)NCCS(=O)(=O)NCC3CCC3)CC2)cc1 ZINC000731685709 1075448928 /nfs/dbraw/zinc/44/89/28/1075448928.db2.gz CXVMZNSOSOJCQG-UHFFFAOYSA-N 0 0 424.567 1.636 20 10 HDCDRN CN(C)C(=O)CN1CCC(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000731762124 1075516429 /nfs/dbraw/zinc/51/64/29/1075516429.db2.gz DMSBVGBSCVECNS-UHFFFAOYSA-N 0 0 417.554 1.217 20 10 HDCDRN COC(=O)CN(CC(=O)NC1CCN(C(C)=O)CC1)Cc1cc(Cl)ccc1O ZINC000731845641 1075529620 /nfs/dbraw/zinc/52/96/20/1075529620.db2.gz CMEANCHSXUVLKG-UHFFFAOYSA-N 0 0 411.886 1.148 20 10 HDCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCCN(C)CC(F)(F)F)C2CC2)cc1 ZINC000804138789 1075538163 /nfs/dbraw/zinc/53/81/63/1075538163.db2.gz ZMJLZFNEHVGOOC-UHFFFAOYSA-N 0 0 400.445 1.854 20 10 HDCDRN COc1ccc(N2CCN(CCN3C(=O)N[C@H](CCOC(C)(C)C)C3=O)CC2)cc1 ZINC000804150785 1075552391 /nfs/dbraw/zinc/55/23/91/1075552391.db2.gz MMBWUUSLVLSVAC-LJQANCHMSA-N 0 0 418.538 1.943 20 10 HDCDRN CN(C)c1ccc(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1F ZINC000731981707 1075583021 /nfs/dbraw/zinc/58/30/21/1075583021.db2.gz RYSKQRMDAHDCBS-IBGZPJMESA-N 0 0 406.502 1.221 20 10 HDCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CCCN1c1nccs1 ZINC000732059892 1075597194 /nfs/dbraw/zinc/59/71/94/1075597194.db2.gz JXCVTNOWOQRQEQ-QGZVFWFLSA-N 0 0 420.560 1.663 20 10 HDCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000732062845 1075598943 /nfs/dbraw/zinc/59/89/43/1075598943.db2.gz OIDDFPMIGHVFFA-NRFANRHFSA-N 0 0 416.566 1.814 20 10 HDCDRN O=C(CN1CCCS(=O)(=O)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000732212136 1075668862 /nfs/dbraw/zinc/66/88/62/1075668862.db2.gz LSNAFWBUOWIFLI-UHFFFAOYSA-N 0 0 412.467 1.521 20 10 HDCDRN COC(=O)CN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)Cc1cc(Cl)ccc1O ZINC000732202800 1075675007 /nfs/dbraw/zinc/67/50/07/1075675007.db2.gz DXNCIQRPYJOSPP-MRXNPFEDSA-N 0 0 411.886 1.148 20 10 HDCDRN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)C2=CC(=O)CS2)C1=O ZINC000732353149 1075719917 /nfs/dbraw/zinc/71/99/17/1075719917.db2.gz MDKRUFYZAUSCGQ-LJQANCHMSA-N 0 0 417.443 1.585 20 10 HDCDRN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353112 1075720252 /nfs/dbraw/zinc/72/02/52/1075720252.db2.gz CVWCTTFRFRDVMW-UHFFFAOYSA-N 0 0 412.445 1.895 20 10 HDCDRN NC(=O)c1ccccc1N1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000732571920 1075782276 /nfs/dbraw/zinc/78/22/76/1075782276.db2.gz KKVNOWCYZQKMMZ-SFHVURJKSA-N 0 0 423.517 1.700 20 10 HDCDRN CN(C)c1ccc(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000143339487 1075811208 /nfs/dbraw/zinc/81/12/08/1075811208.db2.gz ISNXNBHYGJVVCL-UHFFFAOYSA-N 0 0 406.464 1.646 20 10 HDCDRN CN(CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)CC(F)(F)F ZINC000732673421 1075827398 /nfs/dbraw/zinc/82/73/98/1075827398.db2.gz HFOBUHJFHLWDJU-OAHLLOKOSA-N 0 0 415.460 1.682 20 10 HDCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000732730159 1075844513 /nfs/dbraw/zinc/84/45/13/1075844513.db2.gz ODHJXSMZOUWLNW-UHFFFAOYSA-N 0 0 406.446 1.779 20 10 HDCDRN NC(=O)CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000732807920 1075870411 /nfs/dbraw/zinc/87/04/11/1075870411.db2.gz XCVRQZITMAQUFC-UHFFFAOYSA-N 0 0 414.481 1.266 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)CC(=O)NCc1cccs1)cc2=O ZINC000732983257 1075937370 /nfs/dbraw/zinc/93/73/70/1075937370.db2.gz ODHYZMFTDPKKAU-UHFFFAOYSA-N 0 0 403.464 1.421 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)CN(C)CCN3CCCC3=O)cc2F)C[C@H](C)O1 ZINC000732984523 1075938099 /nfs/dbraw/zinc/93/80/99/1075938099.db2.gz BJWGIAABCKNGGN-IRXDYDNUSA-N 0 0 420.529 1.610 20 10 HDCDRN Cc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2 ZINC000727225498 1076084340 /nfs/dbraw/zinc/08/43/40/1076084340.db2.gz BLXCWJLBKZEDCZ-OAHLLOKOSA-N 0 0 402.474 1.501 20 10 HDCDRN Cn1cccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1=O ZINC000733503854 1076085688 /nfs/dbraw/zinc/08/56/88/1076085688.db2.gz PBGXEHRDYYODMD-UHFFFAOYSA-N 0 0 416.389 1.956 20 10 HDCDRN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000727242231 1076088665 /nfs/dbraw/zinc/08/86/65/1076088665.db2.gz JMIOEFDZAFUVAI-OAHLLOKOSA-N 0 0 404.536 1.709 20 10 HDCDRN CN(CCc1ccccn1)C(=O)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000727478443 1076130275 /nfs/dbraw/zinc/13/02/75/1076130275.db2.gz RAXRIRITQKOYLF-UHFFFAOYSA-N 0 0 411.506 1.419 20 10 HDCDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000733643967 1076137337 /nfs/dbraw/zinc/13/73/37/1076137337.db2.gz CQULZSXXKFAYRA-DOTOQJQBSA-N 0 0 424.567 1.353 20 10 HDCDRN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000733643923 1076137910 /nfs/dbraw/zinc/13/79/10/1076137910.db2.gz BBLDZVQMYTXJSX-KGLIPLIRSA-N 0 0 415.531 1.750 20 10 HDCDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000733647421 1076138930 /nfs/dbraw/zinc/13/89/30/1076138930.db2.gz QGHNLFQHPVJDHJ-AWEZNQCLSA-N 0 0 415.531 1.751 20 10 HDCDRN CCN(CC)S(=O)(=O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000733889271 1076251316 /nfs/dbraw/zinc/25/13/16/1076251316.db2.gz QCNXECJHVVBXPU-HUUCEWRRSA-N 0 0 415.531 1.727 20 10 HDCDRN CC(C)C(=O)N1CCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000727931227 1076288329 /nfs/dbraw/zinc/28/83/29/1076288329.db2.gz JQLRZLFGCILFED-UHFFFAOYSA-N 0 0 420.529 1.469 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 ZINC000734015440 1076290305 /nfs/dbraw/zinc/29/03/05/1076290305.db2.gz JYIYIDIBPZDSJJ-UHFFFAOYSA-N 0 0 406.460 1.352 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000734016340 1076290607 /nfs/dbraw/zinc/29/06/07/1076290607.db2.gz JTOQNSJRSAKFIH-KRWDZBQOSA-N 0 0 420.487 1.788 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)c1 ZINC000734016449 1076290787 /nfs/dbraw/zinc/29/07/87/1076290787.db2.gz SBPPCIUXVBXWDI-AEFFLSMTSA-N 0 0 400.431 1.789 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000734018099 1076291302 /nfs/dbraw/zinc/29/13/02/1076291302.db2.gz GUWVZHQJQNELMI-UHFFFAOYSA-N 0 0 406.460 1.588 20 10 HDCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O ZINC000727947143 1076293744 /nfs/dbraw/zinc/29/37/44/1076293744.db2.gz UWBAXQMUQXFGRT-UHFFFAOYSA-N 0 0 407.426 1.995 20 10 HDCDRN COc1ccc(O)c(CNC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)c1 ZINC000734065281 1076300628 /nfs/dbraw/zinc/30/06/28/1076300628.db2.gz YKQWZWZJIYHHRC-INIZCTEOSA-N 0 0 402.373 1.774 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCS(C)(=O)=O)cc2F)C[C@H](C)O1 ZINC000728053683 1076320480 /nfs/dbraw/zinc/32/04/80/1076320480.db2.gz HAZIOJXIHMGZOV-GASCZTMLSA-N 0 0 415.531 1.032 20 10 HDCDRN CC(C)(O)CN1CCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC000728054635 1076321573 /nfs/dbraw/zinc/32/15/73/1076321573.db2.gz WVVCBDBEXLRNQT-UHFFFAOYSA-N 0 0 421.497 1.789 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000730263671 1076504903 /nfs/dbraw/zinc/50/49/03/1076504903.db2.gz IOGQYDGEIBDQOJ-KRWDZBQOSA-N 0 0 418.538 1.943 20 10 HDCDRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000730842005 1076671145 /nfs/dbraw/zinc/67/11/45/1076671145.db2.gz AQLMBVBXGLOWHA-ZDUSSCGKSA-N 0 0 413.496 1.893 20 10 HDCDRN CCOc1cc2c(cc1CNC=C1C(=O)NC(=S)N(CCOC)C1=O)O[C@H](C)C2 ZINC000730970966 1076702166 /nfs/dbraw/zinc/70/21/66/1076702166.db2.gz JIDGEWDOCZOZFW-PKVLTRFUSA-N 0 0 419.503 1.272 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)CN3CCNC(=O)C3(C)C)cc2F)C[C@H](C)O1 ZINC000731213985 1076747277 /nfs/dbraw/zinc/74/72/77/1076747277.db2.gz LXIUWUVPZQOOEA-GJZGRUSLSA-N 0 0 406.502 1.266 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1F ZINC000731365000 1075310041 /nfs/dbraw/zinc/31/00/41/1075310041.db2.gz YHAFBXPVTYSXLK-UHFFFAOYSA-N 0 0 415.535 1.306 20 10 HDCDRN NC(=O)CNC(=O)CN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000731473199 1075359162 /nfs/dbraw/zinc/35/91/62/1075359162.db2.gz JWYAXAOHTCQQJM-YHYXMXQVSA-N 0 0 414.306 1.252 20 10 HDCDRN Cc1cc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000731477846 1075370541 /nfs/dbraw/zinc/37/05/41/1075370541.db2.gz ZUGZPMAHEOWYRH-MRXNPFEDSA-N 0 0 417.531 1.778 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)NC3CCN(CC(=O)N(C)C)CC3)CC2)cc1 ZINC000731759263 1075514206 /nfs/dbraw/zinc/51/42/06/1075514206.db2.gz PKVXFYAKVAKEAK-UHFFFAOYSA-N 0 0 417.554 1.516 20 10 HDCDRN CN(CCNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)CC(F)(F)F ZINC000804137941 1075527625 /nfs/dbraw/zinc/52/76/25/1075527625.db2.gz JRRSXKRKLWSJPJ-HNNXBMFYSA-N 0 0 417.428 1.510 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H]3[C@H](O)C(F)(F)F)CC2)cc1 ZINC000731843278 1075547790 /nfs/dbraw/zinc/54/77/90/1075547790.db2.gz NZGAVKFPCYNYMO-AEFFLSMTSA-N 0 0 401.429 1.731 20 10 HDCDRN CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)Cc1ccccc1O ZINC000731842786 1075548654 /nfs/dbraw/zinc/54/86/54/1075548654.db2.gz CNMZUZNKHDJHQH-UHFFFAOYSA-N 0 0 416.503 1.933 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)[C@H](O)c3cccc(OC)c3)CC2)cc1 ZINC000731909571 1075567062 /nfs/dbraw/zinc/56/70/62/1075567062.db2.gz HGKOAAOVPCCUMI-OAQYLSRUSA-N 0 0 414.458 1.629 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000731976334 1075581619 /nfs/dbraw/zinc/58/16/19/1075581619.db2.gz WHZWFPRWDHSZBR-OAQYLSRUSA-N 0 0 416.566 1.862 20 10 HDCDRN CNS(=O)(=O)c1ccc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nc1 ZINC000731982864 1075583597 /nfs/dbraw/zinc/58/35/97/1075583597.db2.gz ZOXVVEPQLDLCGL-OAHLLOKOSA-N 0 0 403.508 1.304 20 10 HDCDRN Cc1cc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(C)n1-c1ccccn1 ZINC000732164028 1075642820 /nfs/dbraw/zinc/64/28/20/1075642820.db2.gz RDDPHNQBFBLHCL-KRWDZBQOSA-N 0 0 420.535 1.707 20 10 HDCDRN O=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732201785 1075674648 /nfs/dbraw/zinc/67/46/48/1075674648.db2.gz NUVWZJWJSVWTNA-AEFFLSMTSA-N 0 0 419.419 1.666 20 10 HDCDRN CNS(=O)(=O)C1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000732243155 1075678244 /nfs/dbraw/zinc/67/82/44/1075678244.db2.gz NDCFJUXDVVQMAK-OAHLLOKOSA-N 0 0 410.540 1.307 20 10 HDCDRN Cc1cc(C(=O)COC(=O)CN2CC(=O)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000732356903 1075721383 /nfs/dbraw/zinc/72/13/83/1075721383.db2.gz OZEQHACVDWVZDN-UHFFFAOYSA-N 0 0 413.386 1.101 20 10 HDCDRN CN(C)c1ccc(CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1F ZINC000732456265 1075743102 /nfs/dbraw/zinc/74/31/02/1075743102.db2.gz FVLOBXUBDRNCQQ-HNNXBMFYSA-N 0 0 416.519 1.179 20 10 HDCDRN CN(C)c1ccc(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1F ZINC000732456268 1075743108 /nfs/dbraw/zinc/74/31/08/1075743108.db2.gz FVLOBXUBDRNCQQ-OAHLLOKOSA-N 0 0 416.519 1.179 20 10 HDCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC3(CCO)CCCC3)CC2)cc1 ZINC000804252777 1075806832 /nfs/dbraw/zinc/80/68/32/1075806832.db2.gz OZXMXJFGHSXYHO-HJWRWDBZSA-N 0 0 401.507 1.711 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732810077 1075872026 /nfs/dbraw/zinc/87/20/26/1075872026.db2.gz JFRGWYISJQVEMA-INIZCTEOSA-N 0 0 400.445 1.806 20 10 HDCDRN CCc1cc(N2CCC[C@H](NC(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)ncn1 ZINC000732913991 1075911157 /nfs/dbraw/zinc/91/11/57/1075911157.db2.gz FGIMOTIFTNCMHL-HNNXBMFYSA-N 0 0 419.507 1.515 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(=O)OCc2ccccc2Cl)c1 ZINC000733367333 1076055676 /nfs/dbraw/zinc/05/56/76/1076055676.db2.gz ZVYCRBPWTBYEPM-UHFFFAOYSA-N 0 0 412.851 1.890 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)cc1 ZINC000733369463 1076057477 /nfs/dbraw/zinc/05/74/77/1076057477.db2.gz PGCWDKMXYNJQPW-UHFFFAOYSA-N 0 0 407.467 1.881 20 10 HDCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000727169994 1076068478 /nfs/dbraw/zinc/06/84/78/1076068478.db2.gz ALRJYOQOOBCTIG-UHFFFAOYSA-N 0 0 421.519 1.804 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C[C@@H](C)NC(=O)C1CCCC1)cc2=O ZINC000727202327 1076081215 /nfs/dbraw/zinc/08/12/15/1076081215.db2.gz JBNIZKRSFLIFEG-GFCCVEGCSA-N 0 0 418.450 1.740 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C\c2cccc3c2OCCCO3)SC1=S ZINC000727177372 1076081428 /nfs/dbraw/zinc/08/14/28/1076081428.db2.gz ZTOTYOGOZSUKLL-JLHYYAGUSA-N 0 0 414.530 1.598 20 10 HDCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)ccc21 ZINC000727227432 1076085283 /nfs/dbraw/zinc/08/52/83/1076085283.db2.gz YNKWOUGBAQHODH-IBGZPJMESA-N 0 0 400.523 1.849 20 10 HDCDRN CC(C)n1ccc(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000733583151 1076113797 /nfs/dbraw/zinc/11/37/97/1076113797.db2.gz OXQLXOYEYQCZQX-UHFFFAOYSA-N 0 0 404.442 1.913 20 10 HDCDRN O=C(COC(=O)COC[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733596993 1076122217 /nfs/dbraw/zinc/12/22/17/1076122217.db2.gz WEFGRJGENUJDBB-INIZCTEOSA-N 0 0 410.442 1.017 20 10 HDCDRN CC(=O)NCc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000733666202 1076146314 /nfs/dbraw/zinc/14/63/14/1076146314.db2.gz YMXGORQSMNZCCZ-INIZCTEOSA-N 0 0 424.501 1.975 20 10 HDCDRN Cn1cnc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000727836418 1076265600 /nfs/dbraw/zinc/26/56/00/1076265600.db2.gz DGCRPVYOERFZFY-UHFFFAOYSA-N 0 0 404.414 1.754 20 10 HDCDRN O=C(COC(=O)CCN1CCCC1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000727912972 1076286540 /nfs/dbraw/zinc/28/65/40/1076286540.db2.gz LALNCWGCWBMRES-UHFFFAOYSA-N 0 0 420.421 1.956 20 10 HDCDRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3cc(OC)ccc3O)C2=O)cc1 ZINC000734018907 1076291276 /nfs/dbraw/zinc/29/12/76/1076291276.db2.gz MXOZGYZBDRVSOO-NRFANRHFSA-N 0 0 413.430 1.493 20 10 HDCDRN COC(=O)COc1ccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)c(C)c1 ZINC000734074848 1076302469 /nfs/dbraw/zinc/30/24/69/1076302469.db2.gz WNPPOJKNZZFFMB-UHFFFAOYSA-N 0 0 402.403 1.516 20 10 HDCDRN CN(CCS(C)(=O)=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000728129188 1076338917 /nfs/dbraw/zinc/33/89/17/1076338917.db2.gz QYXHTONQCQGFDC-UHFFFAOYSA-N 0 0 423.457 1.728 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCn4cnnc4C3)cc2F)C[C@@H](C)O1 ZINC000730006390 1076411113 /nfs/dbraw/zinc/41/11/13/1076411113.db2.gz WMVDNFAEOCRHCB-HUUCEWRRSA-N 0 0 402.474 1.163 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCCN3C(=O)CCC3=O)cc2F)C[C@H](C)O1 ZINC000730024287 1076412480 /nfs/dbraw/zinc/41/24/80/1076412480.db2.gz DQNNSTPBDUMTBK-GASCZTMLSA-N 0 0 420.485 1.778 20 10 HDCDRN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000730106327 1076439849 /nfs/dbraw/zinc/43/98/49/1076439849.db2.gz XVSULMKWJJWLEA-UHFFFAOYSA-N 0 0 409.490 1.574 20 10 HDCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000730096425 1076449499 /nfs/dbraw/zinc/44/94/99/1076449499.db2.gz PFKUKXGEDZEUGB-BHIYHBOVSA-N 0 0 421.563 1.479 20 10 HDCDRN O=C(NCCCN1CCCCC1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000730119312 1076464058 /nfs/dbraw/zinc/46/40/58/1076464058.db2.gz IWPFQAMTYYJNGX-UHFFFAOYSA-N 0 0 406.502 1.989 20 10 HDCDRN COC(=O)C1CCC(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000730123909 1076464870 /nfs/dbraw/zinc/46/48/70/1076464870.db2.gz YWDLXYSFSNKQCS-UHFFFAOYSA-N 0 0 418.538 1.848 20 10 HDCDRN COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)Cc1cccc(C)c1 ZINC000730286659 1076514683 /nfs/dbraw/zinc/51/46/83/1076514683.db2.gz FIRIYPOSVSSSRE-HNNXBMFYSA-N 0 0 420.487 1.834 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1cc(C)cc(OC)c1O)cc2=O ZINC000730359978 1076550305 /nfs/dbraw/zinc/55/03/05/1076550305.db2.gz YURLAGFEQOMVJJ-UHFFFAOYSA-N 0 0 401.375 1.991 20 10 HDCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCN(CC(N)=O)CC3)c2C)cc1 ZINC000730806680 1076665140 /nfs/dbraw/zinc/66/51/40/1076665140.db2.gz UFFVWDBIRTZJEJ-UHFFFAOYSA-N 0 0 412.490 1.166 20 10 HDCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1nnc2n1CCC2 ZINC000730936719 1076696436 /nfs/dbraw/zinc/69/64/36/1076696436.db2.gz NEYKFODNETZYNE-GDBMZVCRSA-N 0 0 411.510 1.486 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)COCC(=O)NCc3cccnc3)CC2)cc1 ZINC000731188006 1076741772 /nfs/dbraw/zinc/74/17/72/1076741772.db2.gz RFQWWLYLTNFUMU-UHFFFAOYSA-N 0 0 412.490 1.508 20 10 HDCDRN CC(C)[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000731213980 1076747172 /nfs/dbraw/zinc/74/71/72/1076747172.db2.gz LDZRGEZBNDNWED-WHSLLNHNSA-N 0 0 420.529 1.512 20 10 HDCDRN CCN(CCCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000140998106 1075264683 /nfs/dbraw/zinc/26/46/83/1075264683.db2.gz ZSSIHFOYEYJPMA-INIZCTEOSA-N 0 0 412.556 1.555 20 10 HDCDRN Cc1cc(C(=O)OCCN(C)S(=O)(=O)N2CCOCC2)c(C)n1-c1ccccn1 ZINC000731294316 1075305225 /nfs/dbraw/zinc/30/52/25/1075305225.db2.gz GACYYWGINFMBGU-UHFFFAOYSA-N 0 0 422.507 1.155 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1F ZINC000731345230 1075311631 /nfs/dbraw/zinc/31/16/31/1075311631.db2.gz HNUGYBWANKBQPS-SFHVURJKSA-N 0 0 420.529 1.469 20 10 HDCDRN CN(C)C(=O)CN1CCC(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000731762064 1075516359 /nfs/dbraw/zinc/51/63/59/1075516359.db2.gz ADAHKKLUBZTKBL-LJQANCHMSA-N 0 0 418.538 1.635 20 10 HDCDRN C[C@H](NC(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844391 1075529308 /nfs/dbraw/zinc/52/93/08/1075529308.db2.gz GEEPYCJQCLKZGM-PKOBYXMFSA-N 0 0 403.523 1.890 20 10 HDCDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN(C)Cc3ccccc3O)C2=O)cc1 ZINC000731842797 1075548473 /nfs/dbraw/zinc/54/84/73/1075548473.db2.gz GCWFTZMVYAYQMF-NRFANRHFSA-N 0 0 412.446 1.331 20 10 HDCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 ZINC000804154102 1075559332 /nfs/dbraw/zinc/55/93/32/1075559332.db2.gz DINCANZRLWTKNP-UHFFFAOYSA-N 0 0 412.490 1.343 20 10 HDCDRN CNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)C1 ZINC000732206819 1075664023 /nfs/dbraw/zinc/66/40/23/1075664023.db2.gz FHVLJTFBVYSCGJ-AWEZNQCLSA-N 0 0 405.454 1.859 20 10 HDCDRN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C2=CC(=O)CS2)C1=O ZINC000732354144 1075720566 /nfs/dbraw/zinc/72/05/66/1075720566.db2.gz FGALQETXIDGJMY-SFHVURJKSA-N 0 0 403.416 1.499 20 10 HDCDRN C[C@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732359179 1075722161 /nfs/dbraw/zinc/72/21/61/1075722161.db2.gz UGRDPDYJQOIDDG-ZUZCIYMTSA-N 0 0 407.382 1.014 20 10 HDCDRN C[C@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732359177 1075722199 /nfs/dbraw/zinc/72/21/99/1075722199.db2.gz UGRDPDYJQOIDDG-BONVTDFDSA-N 0 0 407.382 1.014 20 10 HDCDRN CNS(=O)(=O)C1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000732458838 1075750034 /nfs/dbraw/zinc/75/00/34/1075750034.db2.gz LXMCZPJSJKDEEP-UHFFFAOYSA-N 0 0 410.540 1.387 20 10 HDCDRN COC(=O)c1nscc1S(=O)(=O)NCc1cccc(Br)c1O ZINC000766181216 1075823415 /nfs/dbraw/zinc/82/34/15/1075823415.db2.gz RXMPMMQFFLHMQI-UHFFFAOYSA-N 0 0 407.267 1.876 20 10 HDCDRN CC[C@@]1(C(C)C)NC(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000732666813 1075825087 /nfs/dbraw/zinc/82/50/87/1075825087.db2.gz CKYDWNDFJXVHSH-NRFANRHFSA-N 0 0 402.495 1.700 20 10 HDCDRN Cc1cc(C(=O)COC(=O)[C@H](O)C(C)(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000732715555 1075832110 /nfs/dbraw/zinc/83/21/10/1075832110.db2.gz HJFGGDNKAZQOFR-SFHVURJKSA-N 0 0 422.503 1.874 20 10 HDCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000732699537 1075834601 /nfs/dbraw/zinc/83/46/01/1075834601.db2.gz BFNRVVLLQNVDNS-UHFFFAOYSA-N 0 0 419.507 1.533 20 10 HDCDRN COc1cc2nc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1OC ZINC000732834657 1075881955 /nfs/dbraw/zinc/88/19/55/1075881955.db2.gz DANSRGUMSZGACW-UHFFFAOYSA-N 0 0 406.420 1.910 20 10 HDCDRN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000732835602 1075882840 /nfs/dbraw/zinc/88/28/40/1075882840.db2.gz MMUBZUBPDIDWGF-INIZCTEOSA-N 0 0 421.450 1.780 20 10 HDCDRN COc1c(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)nn1C ZINC000732851248 1075885674 /nfs/dbraw/zinc/88/56/74/1075885674.db2.gz PMFBJDDSRUCLLS-UHFFFAOYSA-N 0 0 402.451 1.251 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)CNC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000732924141 1075915029 /nfs/dbraw/zinc/91/50/29/1075915029.db2.gz ONVRSJDDOATAAE-UHFFFAOYSA-N 0 0 414.481 1.503 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN(C)CC(=O)NCc3cccs3)CC2)cc1 ZINC000732983325 1075937472 /nfs/dbraw/zinc/93/74/72/1075937472.db2.gz QCWSHEJRLYHIHO-UHFFFAOYSA-N 0 0 416.547 1.654 20 10 HDCDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000733344482 1076042612 /nfs/dbraw/zinc/04/26/12/1076042612.db2.gz BPGGUSBBVMMQBC-YJBOKZPZSA-N 0 0 410.540 1.307 20 10 HDCDRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733343793 1076047319 /nfs/dbraw/zinc/04/73/19/1076047319.db2.gz UHMSGRYDNAYZRC-CQSZACIVSA-N 0 0 401.504 1.627 20 10 HDCDRN CCCCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000727111333 1076047561 /nfs/dbraw/zinc/04/75/61/1076047561.db2.gz YDTOXYHZMCLCRX-IBGZPJMESA-N 0 0 423.579 1.633 20 10 HDCDRN CC(C)(C)S(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000733350716 1076049543 /nfs/dbraw/zinc/04/95/43/1076049543.db2.gz UQRUPMCRAXLVEI-UHFFFAOYSA-N 0 0 415.531 1.799 20 10 HDCDRN COc1ccc(-n2nnnc2CN[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2C)cc1 ZINC001082652421 1076061693 /nfs/dbraw/zinc/06/16/93/1076061693.db2.gz YFHGLUKOIKKSIM-IBMDXXAESA-N 0 0 424.505 1.031 20 10 HDCDRN CCCC(=O)N1CSC[C@@H]1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000727376252 1076100637 /nfs/dbraw/zinc/10/06/37/1076100637.db2.gz VNEBIIJFTNEFKK-LJQANCHMSA-N 0 0 420.579 1.635 20 10 HDCDRN O=C(CN(Cc1ccccc1O)C1CCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000733613559 1076129077 /nfs/dbraw/zinc/12/90/77/1076129077.db2.gz BVXSFCICVPDTCW-HNNXBMFYSA-N 0 0 409.508 1.150 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COc3c(CO)cc(F)cc3CO)CC2)cc1 ZINC000727463420 1076136277 /nfs/dbraw/zinc/13/62/77/1076136277.db2.gz DLQJBCLOXYCEHP-UHFFFAOYSA-N 0 0 404.438 1.547 20 10 HDCDRN COc1cccc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1O ZINC000727763036 1076218383 /nfs/dbraw/zinc/21/83/83/1076218383.db2.gz ZWPQLKLGYCXWCL-MRXNPFEDSA-N 0 0 420.487 1.788 20 10 HDCDRN CCN(CC)S(=O)(=O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733889260 1076251217 /nfs/dbraw/zinc/25/12/17/1076251217.db2.gz QCNXECJHVVBXPU-GASCZTMLSA-N 0 0 415.531 1.727 20 10 HDCDRN COc1ccc(O)c(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000734014893 1076290339 /nfs/dbraw/zinc/29/03/39/1076290339.db2.gz JWBDXDLIJCIMAD-UHFFFAOYSA-N 0 0 424.475 1.403 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)c1 ZINC000734014986 1076290692 /nfs/dbraw/zinc/29/06/92/1076290692.db2.gz QSLYIJQGXXBFGM-UHFFFAOYSA-N 0 0 407.492 1.844 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c1 ZINC000734015045 1076290722 /nfs/dbraw/zinc/29/07/22/1076290722.db2.gz WFSNUCGTDSADSQ-UHFFFAOYSA-N 0 0 406.460 1.780 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c1 ZINC000734017654 1076291013 /nfs/dbraw/zinc/29/10/13/1076291013.db2.gz UWLXYPGDZQPHEM-NJGYHNCTSA-N 0 0 423.469 1.820 20 10 HDCDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734059736 1076299920 /nfs/dbraw/zinc/29/99/20/1076299920.db2.gz FIPRXHJHRJFZKU-UHFFFAOYSA-N 0 0 401.419 1.554 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)c1 ZINC000734073064 1076302091 /nfs/dbraw/zinc/30/20/91/1076302091.db2.gz BSJSJDKSOPJHHO-UHFFFAOYSA-N 0 0 401.394 1.922 20 10 HDCDRN CCCCCS(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000728022254 1076307148 /nfs/dbraw/zinc/30/71/48/1076307148.db2.gz OGQOXMRABQQYMM-UHFFFAOYSA-N 0 0 416.565 1.143 20 10 HDCDRN C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N(C)CCS(C)(=O)=O ZINC000728054093 1076322081 /nfs/dbraw/zinc/32/20/81/1076322081.db2.gz HPYNHVDNWKTXFN-CYBMUJFWSA-N 0 0 414.483 1.765 20 10 HDCDRN Cc1nc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)oc1C ZINC000730086384 1076440715 /nfs/dbraw/zinc/44/07/15/1076440715.db2.gz LTZDWDMNGZZHGC-UHFFFAOYSA-N 0 0 408.480 1.327 20 10 HDCDRN C[C@H]1C(=O)NCCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000730118843 1076463363 /nfs/dbraw/zinc/46/33/63/1076463363.db2.gz NLRRFTRBVJUGKG-LBPRGKRZSA-N 0 0 400.401 1.572 20 10 HDCDRN CCCC(=O)N1CSC[C@H]1C(=O)OCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000730321265 1076538922 /nfs/dbraw/zinc/53/89/22/1076538922.db2.gz ZLVXXMNJXADMFR-ZDUSSCGKSA-N 0 0 422.463 1.356 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)Cn3ncc4ccccc43)CC2)cc1 ZINC000730636591 1076631905 /nfs/dbraw/zinc/63/19/05/1076631905.db2.gz JNWGVGWORGDWJV-UHFFFAOYSA-N 0 0 408.458 1.937 20 10 HDCDRN Cc1cc(C(=O)CN2CCN(CC(N)=O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000730805356 1076664609 /nfs/dbraw/zinc/66/46/09/1076664609.db2.gz DPZVNBZXUBVHKC-UHFFFAOYSA-N 0 0 420.460 1.981 20 10 HDCDRN C[C@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000731185152 1076741352 /nfs/dbraw/zinc/74/13/52/1076741352.db2.gz SKHHJTMEXKXREP-KRWDZBQOSA-N 0 0 412.490 1.428 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc(N4CCCC4)nn3)CC2)cc1 ZINC000731188670 1076742045 /nfs/dbraw/zinc/74/20/45/1076742045.db2.gz HCIZZQMFEBVOQX-UHFFFAOYSA-N 0 0 410.522 1.637 20 10 HDCDRN CC(C)[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000731213979 1076747239 /nfs/dbraw/zinc/74/72/39/1076747239.db2.gz LDZRGEZBNDNWED-VWKPWSFCSA-N 0 0 420.529 1.512 20 10 HDCDRN NC(=O)N=Nc1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC001626094264 1074080830 /nfs/dbraw/zinc/08/08/30/1074080830.db2.gz XPYJNWJEZNMDGK-UHFFFAOYSA-N 0 0 409.450 1.713 20 10 HDCDRN NC(=O)C1CCN(c2ccc(CNC(=O)c3cccc(-n4cncn4)n3)cc2)CC1 ZINC001626094982 1074086836 /nfs/dbraw/zinc/08/68/36/1074086836.db2.gz NYRBBSAFLMEYNL-UHFFFAOYSA-N 0 0 405.462 1.294 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)Nc3cccnc3-n3cncn3)CC2)cc1 ZINC000731278836 1075302019 /nfs/dbraw/zinc/30/20/19/1075302019.db2.gz VUGSAXMFSFAZJF-UHFFFAOYSA-N 0 0 422.493 1.615 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1F ZINC000731373968 1075322164 /nfs/dbraw/zinc/32/21/64/1075322164.db2.gz PKTLQWLEOBTPQG-UHFFFAOYSA-N 0 0 422.482 1.574 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)cc1F ZINC000731409474 1075334571 /nfs/dbraw/zinc/33/45/71/1075334571.db2.gz SWYBAOVFHAFRNC-UHFFFAOYSA-N 0 0 400.454 1.955 20 10 HDCDRN CCNS(=O)(=O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000731681831 1075465588 /nfs/dbraw/zinc/46/55/88/1075465588.db2.gz IUQZIFBMEWPNJA-OKILXGFUSA-N 0 0 416.519 1.178 20 10 HDCDRN NC(=O)[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1 ZINC000731757027 1075513072 /nfs/dbraw/zinc/51/30/72/1075513072.db2.gz RXESCKGKGFZMRU-SFHVURJKSA-N 0 0 414.481 1.806 20 10 HDCDRN C[C@H](NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)C(=O)N1CCCCC1 ZINC000731844385 1075528975 /nfs/dbraw/zinc/52/89/75/1075528975.db2.gz GEEPYCJQCLKZGM-HKUYNNGSSA-N 0 0 403.523 1.890 20 10 HDCDRN COC(=O)CN(CC(=O)NC(=O)NCc1ccco1)Cc1cc(Cl)ccc1O ZINC000731844661 1075528996 /nfs/dbraw/zinc/52/89/96/1075528996.db2.gz HPXWSWJHJLSUHZ-UHFFFAOYSA-N 0 0 409.826 1.640 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@@H](C(=O)OC)Oc3ccccc31)cc2=O ZINC000731842943 1075548432 /nfs/dbraw/zinc/54/84/32/1075548432.db2.gz LDECEVZDFMLRTK-INIZCTEOSA-N 0 0 412.402 1.552 20 10 HDCDRN O=C(CNC(=O)N1CCc2ccccc2C1)NCc1ccc(N2CCOCC2)cc1 ZINC000731869975 1075559953 /nfs/dbraw/zinc/55/99/53/1075559953.db2.gz FNUMDVACLQHIOV-UHFFFAOYSA-N 0 0 408.502 1.907 20 10 HDCDRN COCCOc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 ZINC000732060613 1075597924 /nfs/dbraw/zinc/59/79/24/1075597924.db2.gz ZVVBURMUTXJTQK-UHFFFAOYSA-N 0 0 418.515 1.877 20 10 HDCDRN CNC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1 ZINC000732206780 1075664113 /nfs/dbraw/zinc/66/41/13/1075664113.db2.gz BOSOFFWFSQEILO-CQSZACIVSA-N 0 0 405.454 1.859 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCn3cccn3)cc2F)C[C@@H](C)O1 ZINC000732209798 1075666297 /nfs/dbraw/zinc/66/62/97/1075666297.db2.gz SRIMTAMZEZQKBC-IAGOWNOFSA-N 0 0 403.502 1.884 20 10 HDCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(OCC(=O)N(C)C)c1 ZINC000141704090 1075687045 /nfs/dbraw/zinc/68/70/45/1075687045.db2.gz INQHVKGPBBTKEA-UHFFFAOYSA-N 0 0 412.490 1.783 20 10 HDCDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)C1=CC(=O)CS1 ZINC000732352738 1075720242 /nfs/dbraw/zinc/72/02/42/1075720242.db2.gz DVLOPJKEGSFKKE-UHFFFAOYSA-N 0 0 424.500 1.840 20 10 HDCDRN C[C@@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000732359918 1075722683 /nfs/dbraw/zinc/72/26/83/1075722683.db2.gz BRKXOPUGXWBFMR-HWPZZCPQSA-N 0 0 407.382 1.014 20 10 HDCDRN C[C@H]1CN(c2ccc(CNC(=O)N(C)CC(=O)N3CCOCC3)cc2F)C[C@H](C)O1 ZINC000732450192 1075740938 /nfs/dbraw/zinc/74/09/38/1075740938.db2.gz ORZHQNCOBSSFKD-HOTGVXAUSA-N 0 0 422.501 1.440 20 10 HDCDRN NC(=O)c1ccc(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1F ZINC000732431681 1075743856 /nfs/dbraw/zinc/74/38/56/1075743856.db2.gz BZQAQCJWBDYCGY-AWEZNQCLSA-N 0 0 413.453 1.948 20 10 HDCDRN CN(CCN1CCCC1=O)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732986061 1075939415 /nfs/dbraw/zinc/93/94/15/1075939415.db2.gz YXUAVBACZZHQGG-UHFFFAOYSA-N 0 0 405.454 1.955 20 10 HDCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 ZINC000733104876 1075969795 /nfs/dbraw/zinc/96/97/95/1075969795.db2.gz NXZDUHBGEXFILC-UHFFFAOYSA-N 0 0 400.357 1.064 20 10 HDCDRN CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733197731 1076003681 /nfs/dbraw/zinc/00/36/81/1076003681.db2.gz RJRLTYYKFAJPJP-OAHLLOKOSA-N 0 0 415.531 1.034 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@H](OC)C(F)(F)F)CC2)cc1 ZINC000733346627 1076043136 /nfs/dbraw/zinc/04/31/36/1076043136.db2.gz YBHIISIHAKNWOX-INIZCTEOSA-N 0 0 404.433 1.694 20 10 HDCDRN CC(C)(C)S(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000733350572 1076049513 /nfs/dbraw/zinc/04/95/13/1076049513.db2.gz KWMULCXPVIAQAR-UHFFFAOYSA-N 0 0 411.568 1.908 20 10 HDCDRN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000733360542 1076052641 /nfs/dbraw/zinc/05/26/41/1076052641.db2.gz ZAWPKMBSXXGLIH-UHFFFAOYSA-N 0 0 405.476 1.678 20 10 HDCDRN Cn1nnnc1COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000733433267 1076068249 /nfs/dbraw/zinc/06/82/49/1076068249.db2.gz GUNLZTMDMXGMHP-DHZHZOJOSA-N 0 0 409.518 1.996 20 10 HDCDRN NC(=O)CN1C(=O)/C(=C/c2cc3c(c(Br)c2)OCO3)SC1=S ZINC000727176601 1076070604 /nfs/dbraw/zinc/07/06/04/1076070604.db2.gz VZASNIIZVVJGDO-OQFOIZHKSA-N 0 0 401.263 1.864 20 10 HDCDRN Nc1cc(F)c(F)cc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000727191061 1076078188 /nfs/dbraw/zinc/07/81/88/1076078188.db2.gz FLUMFFATRCNYEU-UHFFFAOYSA-N 0 0 423.391 1.996 20 10 HDCDRN CS(=O)(=O)NCCN1C(=O)/C(=C/c2cccc3c2OCCCO3)SC1=S ZINC000727177373 1076081487 /nfs/dbraw/zinc/08/14/87/1076081487.db2.gz ZTOTYOGOZSUKLL-RAXLEYEMSA-N 0 0 414.530 1.598 20 10 HDCDRN Cc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N3CCC(O)CC3)c(F)c1)CC2 ZINC000727225497 1076084464 /nfs/dbraw/zinc/08/44/64/1076084464.db2.gz BLXCWJLBKZEDCZ-HNNXBMFYSA-N 0 0 402.474 1.501 20 10 HDCDRN COC(=O)C[C@H]1C(=O)NCCN1CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000727230772 1076085410 /nfs/dbraw/zinc/08/54/10/1076085410.db2.gz TXDMDUOVFJYKML-SFHVURJKSA-N 0 0 401.438 1.779 20 10 HDCDRN O=C(COC(=O)c1cnn2ccccc12)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733550707 1076096380 /nfs/dbraw/zinc/09/63/80/1076096380.db2.gz MBGIKUMCWDFWMF-UHFFFAOYSA-N 0 0 412.421 1.783 20 10 HDCDRN CN1CCCc2cc(CNC(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)ccc21 ZINC000733631949 1076134461 /nfs/dbraw/zinc/13/44/61/1076134461.db2.gz REFMNGQFHWDQNP-UHFFFAOYSA-N 0 0 409.490 1.996 20 10 HDCDRN C[C@@H](CS(C)(=O)=O)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733649202 1076141004 /nfs/dbraw/zinc/14/10/04/1076141004.db2.gz XTQNGOPVZYCEMR-MELADBBJSA-N 0 0 401.504 1.672 20 10 HDCDRN CC(=O)NCc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000733664099 1076144963 /nfs/dbraw/zinc/14/49/63/1076144963.db2.gz QWTSJCFDWQFWLO-UHFFFAOYSA-N 0 0 424.501 1.756 20 10 HDCDRN O=S1(=O)CCN(c2ccc(CNC(=S)NCCc3cccnc3)cc2)CC1 ZINC000727698411 1076209867 /nfs/dbraw/zinc/20/98/67/1076209867.db2.gz OZQQEHBCACODTA-UHFFFAOYSA-N 0 0 404.561 1.523 20 10 HDCDRN NC(=O)N1CC[C@H](NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 ZINC000733970807 1076271417 /nfs/dbraw/zinc/27/14/17/1076271417.db2.gz MICHLAZWVLCCTC-GJSJWPQCSA-N 0 0 424.573 1.999 20 10 HDCDRN O=C(NCCCSc1nccs1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000733972851 1076279241 /nfs/dbraw/zinc/27/92/41/1076279241.db2.gz XWCSPVKLNYBYES-UHFFFAOYSA-N 0 0 417.534 1.669 20 10 HDCDRN Nc1nc(Cl)ccc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000734031995 1076294259 /nfs/dbraw/zinc/29/42/59/1076294259.db2.gz UABQVFPDXIBEBL-UHFFFAOYSA-N 0 0 422.844 1.766 20 10 HDCDRN COc1ccc(O)c(CNC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000734065093 1076300590 /nfs/dbraw/zinc/30/05/90/1076300590.db2.gz VKTQXZYMCMYBIJ-UHFFFAOYSA-N 0 0 412.490 1.788 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c1 ZINC000734072890 1076301092 /nfs/dbraw/zinc/30/10/92/1076301092.db2.gz SOBSCSJUTLSNIM-OKILXGFUSA-N 0 0 414.462 1.664 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c1 ZINC000734072579 1076301821 /nfs/dbraw/zinc/30/18/21/1076301821.db2.gz IIHIUYFWDSNRCR-UHFFFAOYSA-N 0 0 411.414 1.699 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)c1 ZINC000734072991 1076301847 /nfs/dbraw/zinc/30/18/47/1076301847.db2.gz YQUJGUPEFOWCKL-UHFFFAOYSA-N 0 0 418.837 1.839 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCS(C)(=O)=O)cc2F)C[C@@H](C)O1 ZINC000728053685 1076320279 /nfs/dbraw/zinc/32/02/79/1076320279.db2.gz HAZIOJXIHMGZOV-HUUCEWRRSA-N 0 0 415.531 1.032 20 10 HDCDRN C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N(C)CCS(C)(=O)=O ZINC000728055062 1076322989 /nfs/dbraw/zinc/32/29/89/1076322989.db2.gz XVXATQJJELFRBQ-CYBMUJFWSA-N 0 0 414.483 1.765 20 10 HDCDRN CS(=O)(=O)Nc1cccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000730211703 1076477928 /nfs/dbraw/zinc/47/79/28/1076477928.db2.gz ZBNBCZAUOUPUON-UHFFFAOYSA-N 0 0 421.494 1.893 20 10 HDCDRN CN1CCCc2cc(CNC(=O)NCCS(=O)(=O)N3CCSCC3)ccc21 ZINC000730582837 1076603008 /nfs/dbraw/zinc/60/30/08/1076603008.db2.gz HVOQSSIGSZSMOT-UHFFFAOYSA-N 0 0 412.581 1.247 20 10 HDCDRN CC1CCN(c2ccc(CNC(=O)c3cc4c(n3C)n(C)c(=O)n(C)c4=O)cc2)CC1 ZINC000731014721 1076711469 /nfs/dbraw/zinc/71/14/69/1076711469.db2.gz GXVSPXGIKKBFMT-UHFFFAOYSA-N 0 0 423.517 1.742 20 10 HDCDRN CC1CCN(c2ccc(CNC(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)cc2)CC1 ZINC000731015776 1076711607 /nfs/dbraw/zinc/71/16/07/1076711607.db2.gz GCMOMEODQIAXTA-UHFFFAOYSA-N 0 0 424.505 1.848 20 10 HDCDRN CCCCN(Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000731214763 1076748853 /nfs/dbraw/zinc/74/88/53/1076748853.db2.gz ZTKYEPRNQBMXJX-CQSZACIVSA-N 0 0 410.496 1.401 20 10 HDCDRN CN(C)C(=O)C1CCC(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC001626094717 1074082990 /nfs/dbraw/zinc/08/29/90/1074082990.db2.gz ITYWKOSGZYLHJS-UHFFFAOYSA-N 0 0 414.550 1.899 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1F ZINC000731364788 1075309941 /nfs/dbraw/zinc/30/99/41/1075309941.db2.gz NMMKXDHDKDDUEY-UHFFFAOYSA-N 0 0 421.517 1.550 20 10 HDCDRN CCN(C1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1)S(C)(=O)=O ZINC000731354977 1075317992 /nfs/dbraw/zinc/31/79/92/1075317992.db2.gz BVMOCYLKPTZDHB-UHFFFAOYSA-N 0 0 410.584 1.457 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1F ZINC000731403190 1075330455 /nfs/dbraw/zinc/33/04/55/1075330455.db2.gz FNOVLYFLXWWUDJ-HNNXBMFYSA-N 0 0 400.520 1.895 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2)cc1F ZINC000731408874 1075333362 /nfs/dbraw/zinc/33/33/62/1075333362.db2.gz YNUZHSPKPVHKOD-UHFFFAOYSA-N 0 0 411.441 1.903 20 10 HDCDRN Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000731496956 1075368274 /nfs/dbraw/zinc/36/82/74/1075368274.db2.gz ZIPIVPWHWTXJPC-JOCHJYFZSA-N 0 0 420.517 1.498 20 10 HDCDRN CCNS(=O)(=O)CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000731681830 1075465488 /nfs/dbraw/zinc/46/54/88/1075465488.db2.gz IUQZIFBMEWPNJA-KBPBESRZSA-N 0 0 416.519 1.178 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 ZINC000731683030 1075465926 /nfs/dbraw/zinc/46/59/26/1075465926.db2.gz YLQDJCJFQVHBBO-UHFFFAOYSA-N 0 0 410.584 1.841 20 10 HDCDRN CCNS(=O)(=O)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000731685162 1075469133 /nfs/dbraw/zinc/46/91/33/1075469133.db2.gz RFFUQYGWVCOIIJ-UHFFFAOYSA-N 0 0 420.482 1.495 20 10 HDCDRN COC(=O)CN(CCNS(=O)(=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000731845044 1075530068 /nfs/dbraw/zinc/53/00/68/1075530068.db2.gz OQYOPAPELBHTEK-UHFFFAOYSA-N 0 0 412.895 1.999 20 10 HDCDRN COC(=O)CN(CC(=O)N1CCC(C(=O)OC)CC1)Cc1cc(Cl)ccc1O ZINC000731845464 1075530095 /nfs/dbraw/zinc/53/00/95/1075530095.db2.gz ZPJPBUJQIVLCTH-UHFFFAOYSA-N 0 0 412.870 1.432 20 10 HDCDRN CN(CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)S(=O)(=O)c1cccnc1 ZINC000731859136 1075539893 /nfs/dbraw/zinc/53/98/93/1075539893.db2.gz SOOYIMTZTUDLBW-QGZVFWFLSA-N 0 0 419.503 1.616 20 10 HDCDRN O=C(COC(=O)C1=CC(=O)CS1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000731910899 1075567923 /nfs/dbraw/zinc/56/79/23/1075567923.db2.gz VZPSDZGNQCUMLV-UHFFFAOYSA-N 0 0 410.473 1.144 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3cc(N4CCC[C@@H](CO)C4)ncn3)cc2)C1 ZINC000731981885 1075583196 /nfs/dbraw/zinc/58/31/96/1075583196.db2.gz GNKAWTJOVQJJPU-RTBURBONSA-N 0 0 424.549 1.999 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3cc(N4CCC[C@H](CO)C4)ncn3)cc2)C1 ZINC000731981884 1075583261 /nfs/dbraw/zinc/58/32/61/1075583261.db2.gz GNKAWTJOVQJJPU-RBUKOAKNSA-N 0 0 424.549 1.999 20 10 HDCDRN NC(=O)[C@H]1CCCN(c2ccc(CNc3cc(N4CCC[C@H](CO)C4)ncn3)cc2)C1 ZINC000731981883 1075583286 /nfs/dbraw/zinc/58/32/86/1075583286.db2.gz GNKAWTJOVQJJPU-OALUTQOASA-N 0 0 424.549 1.999 20 10 HDCDRN CCCCn1c(N)c(N(CC)C(=O)C=Cc2cncc(C(=O)NC)c2)c(=O)[nH]c1=O ZINC000731958067 1075584419 /nfs/dbraw/zinc/58/44/19/1075584419.db2.gz GWGYUTZOXMTSDL-BQYQJAHWSA-N 0 0 414.466 1.152 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000732054497 1075595559 /nfs/dbraw/zinc/59/55/59/1075595559.db2.gz VQXRRDOADAWCFU-HXUWFJFHSA-N 0 0 402.539 1.424 20 10 HDCDRN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc(N2CCCC2)cc1 ZINC000732056700 1075595828 /nfs/dbraw/zinc/59/58/28/1075595828.db2.gz HCXAPLPIKVEIFH-OAQYLSRUSA-N 0 0 414.550 1.616 20 10 HDCDRN CCNC(=O)CCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000732061063 1075598574 /nfs/dbraw/zinc/59/85/74/1075598574.db2.gz FELJSMIFGUCDKC-UHFFFAOYSA-N 0 0 414.485 1.475 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)CN3C(=O)CCc4ccccc43)CC2)cc1 ZINC000732064338 1075599902 /nfs/dbraw/zinc/59/99/02/1075599902.db2.gz IDQAEBRJRIDYMU-UHFFFAOYSA-N 0 0 422.529 1.913 20 10 HDCDRN O=C(CN1CCC[C@H](N2CCCC2=O)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732212171 1075668892 /nfs/dbraw/zinc/66/88/92/1075668892.db2.gz OPTNNTRIJJAZTG-SFHVURJKSA-N 0 0 418.513 1.365 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCNC(=O)c2cccc(F)c2)c1 ZINC000732292540 1075700888 /nfs/dbraw/zinc/70/08/88/1075700888.db2.gz ZBBOPVSVHNQEIU-UHFFFAOYSA-N 0 0 409.439 1.453 20 10 HDCDRN O=C(COC(=O)c1ccc2nccn2c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000732351751 1075719882 /nfs/dbraw/zinc/71/98/82/1075719882.db2.gz ZMGCSPDWJSPPIY-UHFFFAOYSA-N 0 0 412.421 1.783 20 10 HDCDRN C[C@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000732359924 1075722648 /nfs/dbraw/zinc/72/26/48/1075722648.db2.gz BRKXOPUGXWBFMR-QFYYESIMSA-N 0 0 407.382 1.014 20 10 HDCDRN CCOCCN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000732450216 1075740953 /nfs/dbraw/zinc/74/09/53/1075740953.db2.gz OZPLSVGOHSVFGN-UHFFFAOYSA-N 0 0 408.518 1.651 20 10 HDCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)N3CCCC[C@@H]3C3OCCO3)cc2)C1 ZINC000732451593 1075742248 /nfs/dbraw/zinc/74/22/48/1075742248.db2.gz XHFPKQQSQBXJCX-IEBWSBKVSA-N 0 0 416.522 1.825 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)N3CCCC[C@H]3C3OCCO3)CC2)cc1 ZINC000732454835 1075742784 /nfs/dbraw/zinc/74/27/84/1075742784.db2.gz DMSSWWNIYMSQHX-FQEVSTJZSA-N 0 0 418.538 1.754 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)N3CCCC[C@@H]3C3OCCO3)CC2)cc1 ZINC000732454839 1075742871 /nfs/dbraw/zinc/74/28/71/1075742871.db2.gz DMSSWWNIYMSQHX-HXUWFJFHSA-N 0 0 418.538 1.754 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000732474026 1075756428 /nfs/dbraw/zinc/75/64/28/1075756428.db2.gz DSPWTSMOUAKQGW-GOSISDBHSA-N 0 0 412.556 1.383 20 10 HDCDRN COC(=O)c1ncn(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000732718069 1075832713 /nfs/dbraw/zinc/83/27/13/1075832713.db2.gz QBCCBMYXELHFGG-BETUJISGSA-N 0 0 405.430 1.134 20 10 HDCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)O[C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000732841640 1075883774 /nfs/dbraw/zinc/88/37/74/1075883774.db2.gz HIAXGCFEUZBBJX-INIZCTEOSA-N 0 0 408.407 1.865 20 10 HDCDRN CN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732885110 1075891853 /nfs/dbraw/zinc/89/18/53/1075891853.db2.gz PIURBDRKIGNGIF-INIZCTEOSA-N 0 0 414.428 1.828 20 10 HDCDRN CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000733097313 1075969189 /nfs/dbraw/zinc/96/91/89/1075969189.db2.gz LKIWRKVQFSQCIY-AWEZNQCLSA-N 0 0 405.476 1.315 20 10 HDCDRN COc1ccc(-n2nnnc2CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)cc1 ZINC001080159590 1075983642 /nfs/dbraw/zinc/98/36/42/1075983642.db2.gz LMZZYTIMHBMTLS-IBMDXXAESA-N 0 0 424.505 1.031 20 10 HDCDRN CCn1nc(C)c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000727011269 1076025797 /nfs/dbraw/zinc/02/57/97/1076025797.db2.gz FMIUVCIPLJRDHB-UHFFFAOYSA-N 0 0 418.469 1.969 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000727039423 1076032146 /nfs/dbraw/zinc/03/21/46/1076032146.db2.gz WLFVGTPFKDQYRL-UHFFFAOYSA-N 0 0 406.446 1.359 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN([C@H](C)CS(C)(=O)=O)C3CC3)CC2)cc1 ZINC000733310837 1076035473 /nfs/dbraw/zinc/03/54/73/1076035473.db2.gz LNZPPWZAWTUCGY-MRXNPFEDSA-N 0 0 409.552 1.241 20 10 HDCDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000733343792 1076047404 /nfs/dbraw/zinc/04/74/04/1076047404.db2.gz UHMSGRYDNAYZRC-AWEZNQCLSA-N 0 0 401.504 1.627 20 10 HDCDRN NC(=O)CN1C(=O)/C(=C/c2cc(Br)c3c(c2)OCCO3)SC1=S ZINC000727175915 1076069785 /nfs/dbraw/zinc/06/97/85/1076069785.db2.gz HZWAYYYTFMAUPD-YHYXMXQVSA-N 0 0 415.290 1.907 20 10 HDCDRN COc1cccc(/C=C2\SC(=S)N(CCNS(C)(=O)=O)C2=O)c1OC ZINC000727177302 1076081391 /nfs/dbraw/zinc/08/13/91/1076081391.db2.gz FUGLQTHEPWGYCN-XFXZXTDPSA-N 0 0 402.519 1.454 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccc(N3CCCC3)nc1)cc2=O ZINC000727210020 1076082900 /nfs/dbraw/zinc/08/29/00/1076082900.db2.gz RRDDZIAUQZRPFY-UHFFFAOYSA-N 0 0 411.418 1.964 20 10 HDCDRN CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000733645427 1076138460 /nfs/dbraw/zinc/13/84/60/1076138460.db2.gz JDARMBUKUHNQNQ-GDBMZVCRSA-N 0 0 410.540 1.011 20 10 HDCDRN CCS(=O)(=O)C[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000733647428 1076139662 /nfs/dbraw/zinc/13/96/62/1076139662.db2.gz QGQUBGUYLVXZSR-ZDUSSCGKSA-N 0 0 401.504 1.409 20 10 HDCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000727768251 1076221308 /nfs/dbraw/zinc/22/13/08/1076221308.db2.gz YDVVVVBAYRMYEH-SFHVURJKSA-N 0 0 418.544 1.586 20 10 HDCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000727757539 1076230332 /nfs/dbraw/zinc/23/03/32/1076230332.db2.gz WRVJGYMNYPYGMB-UHFFFAOYSA-N 0 0 417.491 1.311 20 10 HDCDRN COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4c(c3)CC(=O)N4)CC2)cc1 ZINC000733855127 1076231031 /nfs/dbraw/zinc/23/10/31/1076231031.db2.gz FTZQGUVMXQCPLR-UHFFFAOYSA-N 0 0 408.458 1.914 20 10 HDCDRN CCN(CC)S(=O)(=O)CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000733893085 1076255228 /nfs/dbraw/zinc/25/52/28/1076255228.db2.gz WODNKTYCWIWXQJ-LJQANCHMSA-N 0 0 411.568 1.932 20 10 HDCDRN CN1C(=O)C[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1cccnc1 ZINC000733921644 1076271087 /nfs/dbraw/zinc/27/10/87/1076271087.db2.gz DXYWDAISLJZOES-LAUBAEHRSA-N 0 0 412.465 1.893 20 10 HDCDRN O=C(NCCCSc1nccs1)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000733972924 1076279521 /nfs/dbraw/zinc/27/95/21/1076279521.db2.gz OFDQFWWPFXNIRZ-UHFFFAOYSA-N 0 0 422.517 1.467 20 10 HDCDRN CN(CCN1CCOCC1)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000733995118 1076287202 /nfs/dbraw/zinc/28/72/02/1076287202.db2.gz AWVHQMAKKQGGGT-UHFFFAOYSA-N 0 0 407.470 1.665 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 ZINC000734016198 1076290622 /nfs/dbraw/zinc/29/06/22/1076290622.db2.gz GLPGWCKSXJLYKT-UHFFFAOYSA-N 0 0 423.491 1.723 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)c1 ZINC000734017521 1076290982 /nfs/dbraw/zinc/29/09/82/1076290982.db2.gz LMGDZFDJDBVRAE-UHFFFAOYSA-N 0 0 404.444 1.884 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1 ZINC000734017334 1076290990 /nfs/dbraw/zinc/29/09/90/1076290990.db2.gz DCNDCBVFVLPGOC-CQSZACIVSA-N 0 0 422.507 1.458 20 10 HDCDRN CC(C)(C)NC(=O)CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000728064374 1076314942 /nfs/dbraw/zinc/31/49/42/1076314942.db2.gz FDZPHAIAPRRPAH-INIZCTEOSA-N 0 0 403.527 1.492 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)NCCC(=O)NC(C)(C)C)CC2)cc1 ZINC000728132949 1076339224 /nfs/dbraw/zinc/33/92/24/1076339224.db2.gz ZNVZZUATOWBMNH-UHFFFAOYSA-N 0 0 405.543 1.421 20 10 HDCDRN COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)Cc1cccc(F)c1 ZINC000730035535 1076413597 /nfs/dbraw/zinc/41/35/97/1076413597.db2.gz PUMDCKRXZCJXST-CYBMUJFWSA-N 0 0 424.450 1.665 20 10 HDCDRN COC(=O)c1cccn2cc(COC(=O)c3cc(NS(C)(=O)=O)ccc3O)nc12 ZINC000730040261 1076415314 /nfs/dbraw/zinc/41/53/14/1076415314.db2.gz ADBTXULFMUJWHR-UHFFFAOYSA-N 0 0 419.415 1.555 20 10 HDCDRN CNC(=O)C1(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000730042994 1076418563 /nfs/dbraw/zinc/41/85/63/1076418563.db2.gz BSLDUHFPZAWHDZ-GFCCVEGCSA-N 0 0 420.421 1.858 20 10 HDCDRN CS(=O)(=O)Nc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000730212934 1076477966 /nfs/dbraw/zinc/47/79/66/1076477966.db2.gz FXWRNVZACRVCBV-UHFFFAOYSA-N 0 0 403.504 1.754 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)cc2=O ZINC000730263423 1076505112 /nfs/dbraw/zinc/50/51/12/1076505112.db2.gz FZHNTOHDDAUUGZ-GFCCVEGCSA-N 0 0 405.455 1.711 20 10 HDCDRN COc1cc(C)cc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1O ZINC000730277933 1076519398 /nfs/dbraw/zinc/51/93/98/1076519398.db2.gz DUHOYPWEGMLLBF-UHFFFAOYSA-N 0 0 404.488 1.874 20 10 HDCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(-c2ncon2)cc1 ZINC000730530984 1076591235 /nfs/dbraw/zinc/59/12/35/1076591235.db2.gz ZWGVFCTVIJJWGE-UHFFFAOYSA-N 0 0 412.471 1.901 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000730579619 1076601507 /nfs/dbraw/zinc/60/15/07/1076601507.db2.gz AWYFYDOWNSTSNC-UHFFFAOYSA-N 0 0 414.597 1.711 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)NCCc3c(C)noc3C)CC2)cc1 ZINC000730581459 1076603062 /nfs/dbraw/zinc/60/30/62/1076603062.db2.gz WVLDKQGMEFPLOJ-UHFFFAOYSA-N 0 0 401.511 1.964 20 10 HDCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000730584377 1076608437 /nfs/dbraw/zinc/60/84/37/1076608437.db2.gz VJXKNFHDEMLMCS-GFCCVEGCSA-N 0 0 403.526 1.140 20 10 HDCDRN Cc1cc(C(=O)CN2CCN(CC(N)=O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000730805695 1076665077 /nfs/dbraw/zinc/66/50/77/1076665077.db2.gz GNMJUDAXZZHINU-UHFFFAOYSA-N 0 0 412.490 1.151 20 10 HDCDRN COc1ccc(N2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)cc1F ZINC000766069701 1074566844 /nfs/dbraw/zinc/56/68/44/1074566844.db2.gz OZRSOGNFRBVCMT-UHFFFAOYSA-N 0 0 401.504 1.008 20 10 HDCDRN CCN(CC)c1ccc(CNC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1F ZINC000731364270 1075309989 /nfs/dbraw/zinc/30/99/89/1075309989.db2.gz WABDLCPHPVVACC-UHFFFAOYSA-N 0 0 400.520 1.895 20 10 HDCDRN CN(C)c1ccc(CN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C2CC2)cc1 ZINC000731761574 1075515001 /nfs/dbraw/zinc/51/50/01/1075515001.db2.gz SBTVBCFMZDNYJC-UHFFFAOYSA-N 0 0 422.595 1.936 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)[C@@H]1CCN(c3ccccc3)C1=O)cc2=O ZINC000731847449 1075530779 /nfs/dbraw/zinc/53/07/79/1075530779.db2.gz JDRRXVIIMLQLCP-QGZVFWFLSA-N 0 0 409.446 1.849 20 10 HDCDRN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN(C)Cc3ccccc3O)C2=O)c1 ZINC000731843028 1075548088 /nfs/dbraw/zinc/54/80/88/1075548088.db2.gz NZHNQPNBYHTBPH-NRFANRHFSA-N 0 0 412.446 1.331 20 10 HDCDRN O=C(NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1)[C@@H](O)c1cccnc1 ZINC000732275795 1075686561 /nfs/dbraw/zinc/68/65/61/1075686561.db2.gz BUFNRFVJLONXHF-FQEVSTJZSA-N 0 0 422.464 1.687 20 10 HDCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@H](O)c1cccc(OC)c1)cc2=O ZINC000732345465 1075716689 /nfs/dbraw/zinc/71/66/89/1075716689.db2.gz BQINIMWYKSYPCK-MRXNPFEDSA-N 0 0 401.375 1.397 20 10 HDCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)CN3CC(=O)NC3=O)c2C)cc1 ZINC000732356613 1075721618 /nfs/dbraw/zinc/72/16/18/1075721618.db2.gz MIQBLWODALFQES-UHFFFAOYSA-N 0 0 413.430 1.771 20 10 HDCDRN C[C@@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000732359178 1075722103 /nfs/dbraw/zinc/72/21/03/1075722103.db2.gz UGRDPDYJQOIDDG-MEBBXXQBSA-N 0 0 407.382 1.014 20 10 HDCDRN C[C@@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000732359926 1075722716 /nfs/dbraw/zinc/72/27/16/1075722716.db2.gz BRKXOPUGXWBFMR-QLJPJBMISA-N 0 0 407.382 1.014 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000732474027 1075756470 /nfs/dbraw/zinc/75/64/70/1075756470.db2.gz DSPWTSMOUAKQGW-SFHVURJKSA-N 0 0 412.556 1.383 20 10 HDCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732571653 1075782532 /nfs/dbraw/zinc/78/25/32/1075782532.db2.gz GXJNXNBXGSVXMO-OAHLLOKOSA-N 0 0 400.401 1.486 20 10 HDCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2ncn3nccc3c2=O)cc1 ZINC000732754480 1075856605 /nfs/dbraw/zinc/85/66/05/1075856605.db2.gz ATZMXGOILGFKKU-SFHVURJKSA-N 0 0 410.478 1.165 20 10 HDCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 ZINC000732810078 1075871969 /nfs/dbraw/zinc/87/19/69/1075871969.db2.gz JFRGWYISJQVEMA-MRXNPFEDSA-N 0 0 400.445 1.806 20 10 HDCDRN COc1c(C(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)nn1C ZINC000732850238 1075885668 /nfs/dbraw/zinc/88/56/68/1075885668.db2.gz DCRDLJYBMKNUQR-UHFFFAOYSA-N 0 0 420.441 1.186 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc4c(c3)C(=O)NC4=O)CC2)cc1 ZINC000732923484 1075914673 /nfs/dbraw/zinc/91/46/73/1075914673.db2.gz CFCKLFVUYAHADO-UHFFFAOYSA-N 0 0 408.458 1.131 20 10 HDCDRN Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1N1C(=O)CCC1=O ZINC000733002494 1075934182 /nfs/dbraw/zinc/93/41/82/1075934182.db2.gz JAAJQFCPVKHSLH-UHFFFAOYSA-N 0 0 417.443 1.978 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCN3CCCC3=O)cc2F)C[C@@H](C)O1 ZINC000732984522 1075938144 /nfs/dbraw/zinc/93/81/44/1075938144.db2.gz BJWGIAABCKNGGN-IAGOWNOFSA-N 0 0 420.529 1.610 20 10 HDCDRN CN(C)c1ccc(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 ZINC000727066949 1076037285 /nfs/dbraw/zinc/03/72/85/1076037285.db2.gz ZQDDIUDIIRKTPJ-UHFFFAOYSA-N 0 0 419.283 1.275 20 10 HDCDRN COc1ccc(N(Cc2ccccc2O)C(=S)NCCNS(C)(=O)=O)cc1 ZINC000727067879 1076037436 /nfs/dbraw/zinc/03/74/36/1076037436.db2.gz SCIBYSIIGXXMHX-UHFFFAOYSA-N 0 0 409.533 1.831 20 10 HDCDRN CS(=O)(=O)NCCNC(=S)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000727086720 1076041245 /nfs/dbraw/zinc/04/12/45/1076041245.db2.gz RQPHLGRRFOSEOY-UHFFFAOYSA-N 0 0 422.523 1.270 20 10 HDCDRN CN1CCCc2cc(/C=C3\SC(=S)N(CCNS(C)(=O)=O)C3=O)ccc21 ZINC000727176975 1076070264 /nfs/dbraw/zinc/07/02/64/1076070264.db2.gz UYHJJJREMJCDOA-PTNGSMBKSA-N 0 0 411.574 1.819 20 10 HDCDRN CCCC(=O)N1CSC[C@H]1C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000727376251 1076100551 /nfs/dbraw/zinc/10/05/51/1076100551.db2.gz VNEBIIJFTNEFKK-IBGZPJMESA-N 0 0 420.579 1.635 20 10 HDCDRN Cc1nn(C)cc1C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000733608508 1076126029 /nfs/dbraw/zinc/12/60/29/1076126029.db2.gz LEMXKIPDVFGFDS-ZIAGYGMSSA-N 0 0 418.469 1.954 20 10 HDCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc4c(c3)NC(=O)CN4)CC2)cc1 ZINC000727523720 1076147225 /nfs/dbraw/zinc/14/72/25/1076147225.db2.gz CUZQBTMVGOCRNY-UHFFFAOYSA-N 0 0 424.457 1.565 20 10 HDCDRN COc1cccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)c1O ZINC000727762136 1076217985 /nfs/dbraw/zinc/21/79/85/1076217985.db2.gz APSPHDMACMOOQF-UHFFFAOYSA-N 0 0 406.460 1.780 20 10 HDCDRN COc1ccc(N2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 ZINC000727753137 1076226379 /nfs/dbraw/zinc/22/63/79/1076226379.db2.gz ROFZIOPBKKOIMH-SFHVURJKSA-N 0 0 402.476 1.074 20 10 HDCDRN NS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(Br)c2O)cc1 ZINC000766201855 1076263476 /nfs/dbraw/zinc/26/34/76/1076263476.db2.gz VVYGBKMHLWALLE-UHFFFAOYSA-N 0 0 421.294 1.281 20 10 HDCDRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1c1cccnc1 ZINC000733921642 1076270978 /nfs/dbraw/zinc/27/09/78/1076270978.db2.gz DXYWDAISLJZOES-DYESRHJHSA-N 0 0 412.465 1.893 20 10 HDCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1ccc(N2CCCC2)nn1 ZINC000727852049 1076271656 /nfs/dbraw/zinc/27/16/56/1076271656.db2.gz QQYQWVJMYNNDDB-UHFFFAOYSA-N 0 0 415.519 1.242 20 10 HDCDRN COC(=O)[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000733995314 1076287252 /nfs/dbraw/zinc/28/72/52/1076287252.db2.gz BAMHYXTVOGWBCA-CLCXKQKWSA-N 0 0 407.486 1.693 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000734015415 1076290325 /nfs/dbraw/zinc/29/03/25/1076290325.db2.gz INMKGXZPBAQZNY-OAGGEKHMSA-N 0 0 406.504 1.924 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1 ZINC000734016444 1076290732 /nfs/dbraw/zinc/29/07/32/1076290732.db2.gz RUSHNWQWHYYSPG-QGZVFWFLSA-N 0 0 420.487 1.788 20 10 HDCDRN CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000727993664 1076299149 /nfs/dbraw/zinc/29/91/49/1076299149.db2.gz ZJTDOZWCAGUFSH-RDJZCZTQSA-N 0 0 404.536 1.316 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)c1 ZINC000734072949 1076301797 /nfs/dbraw/zinc/30/17/97/1076301797.db2.gz WJEAPQZAOOAEPJ-UHFFFAOYSA-N 0 0 415.446 1.431 20 10 HDCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 ZINC000734073136 1076302134 /nfs/dbraw/zinc/30/21/34/1076302134.db2.gz FEUCHPGYFKEHCE-UHFFFAOYSA-N 0 0 411.414 1.305 20 10 HDCDRN CN(CCS(C)(=O)=O)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000728054057 1076322285 /nfs/dbraw/zinc/32/22/85/1076322285.db2.gz FDJDUKZSEOANMN-UHFFFAOYSA-N 0 0 400.456 1.377 20 10 HDCDRN O=C(NCc1nnnn1-c1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000730582425 1076602402 /nfs/dbraw/zinc/60/24/02/1076602402.db2.gz VSYHBLWORIMEIQ-UHFFFAOYSA-N 0 0 421.505 1.870 20 10 HDCDRN CC(C)CN1C(=O)C(=CNCc2ccc(N3CCCC3=O)cc2)C(=O)NC1=S ZINC000730984579 1076704813 /nfs/dbraw/zinc/70/48/13/1076704813.db2.gz DPGDNLZQODLLAB-LFIBNONCSA-N 0 0 400.504 1.686 20 10 HDCDRN CC1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 ZINC000731051569 1076714306 /nfs/dbraw/zinc/71/43/06/1076714306.db2.gz YSQMUVWPJIBMKR-UHFFFAOYSA-N 0 0 423.583 1.557 20 10 HDCDRN O=C(NCCN1CCN(Cc2cc3c(cc2O)OCO3)CC1)c1ccccc1F ZINC000731206623 1076755085 /nfs/dbraw/zinc/75/50/85/1076755085.db2.gz FAMSSNCIUYOKTN-UHFFFAOYSA-N 0 0 401.438 1.808 20 10 HDCDRN COc1cc(COCC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)ccn1 ZINC001626094667 1074082051 /nfs/dbraw/zinc/08/20/51/1074082051.db2.gz HYZJRNJUFLAQMY-UHFFFAOYSA-N 0 0 412.490 1.625 20 10 HDCDRN COc1ccc(N2CCN(C(=O)CN3CCC([C@@H](O)C(F)(F)F)CC3)CC2)cc1 ZINC000766135716 1075158956 /nfs/dbraw/zinc/15/89/56/1075158956.db2.gz NIQMXGNVBDVECI-LJQANCHMSA-N 0 0 415.456 1.979 20 10 HDCDRN CS(=O)(=O)Cc1ccc(NC(=O)C2=CC=S=C2NC(=O)c2ccco2)cc1 ZINC000731474743 1075360424 /nfs/dbraw/zinc/36/04/24/1075360424.db2.gz ZGKFYRXUFQOYFB-UHFFFAOYSA-N 0 0 404.469 1.798 20 10 HDCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000731686074 1075447046 /nfs/dbraw/zinc/44/70/46/1075447046.db2.gz NSDGKLBRBCIIIK-UHFFFAOYSA-N 0 0 424.567 1.384 20 10 HDCDRN CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccccc1O ZINC000731843135 1075548172 /nfs/dbraw/zinc/54/81/72/1075548172.db2.gz ZJOHASLXMMOBTC-UHFFFAOYSA-N 0 0 419.503 1.484 20 10 HDCDRN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1O ZINC000731842801 1075548441 /nfs/dbraw/zinc/54/84/41/1075548441.db2.gz GJRYKPQCSFKJAH-UHFFFAOYSA-N 0 0 419.503 1.484 20 10 HDCDRN COc1ccc(N2CCN(CCNC(=O)c3c(OC)ncnc3OC)CC2)cc1 ZINC000732064472 1075599949 /nfs/dbraw/zinc/59/99/49/1075599949.db2.gz OZXLMUCMQQYGTC-UHFFFAOYSA-N 0 0 401.467 1.054 20 10 HDCDRN CN(C)c1ccc(CNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 ZINC000732233452 1075685494 /nfs/dbraw/zinc/68/54/94/1075685494.db2.gz SQTYPXXQKPWWNE-UHFFFAOYSA-N 0 0 401.555 1.838 20 10 HDCDRN O=C(C1=CC(=O)CS1)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000732280155 1075687991 /nfs/dbraw/zinc/68/79/91/1075687991.db2.gz ZYOULSBQMPUKLC-UHFFFAOYSA-N 0 0 424.500 1.762 20 10 HDCDRN O=C(C1=CC(=O)CS1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000732259684 1075689457 /nfs/dbraw/zinc/68/94/57/1075689457.db2.gz VWRZCSPNZOVWDV-UHFFFAOYSA-N 0 0 408.461 1.182 20 10 HDCDRN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)C2=CC(=O)CS2)C1=O ZINC000732353148 1075720004 /nfs/dbraw/zinc/72/00/04/1075720004.db2.gz MDKRUFYZAUSCGQ-IBGZPJMESA-N 0 0 417.443 1.585 20 10 HDCDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)C3=CC(=O)CS3)C2=O)cc1 ZINC000732353826 1075720480 /nfs/dbraw/zinc/72/04/80/1075720480.db2.gz ARILWAIGDOGMKW-SFHVURJKSA-N 0 0 419.415 1.118 20 10 HDCDRN CN(CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)CC(F)(F)F ZINC000732673420 1075827475 /nfs/dbraw/zinc/82/74/75/1075827475.db2.gz HFOBUHJFHLWDJU-HNNXBMFYSA-N 0 0 415.460 1.682 20 10 HDCDRN COCCn1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ccc1=O ZINC000732678347 1075830663 /nfs/dbraw/zinc/83/06/63/1075830663.db2.gz DNKAKAAYLUJQDG-IBGZPJMESA-N 0 0 414.506 1.777 20 10 HDCDRN COC(=O)c1ncn(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000732718071 1075832591 /nfs/dbraw/zinc/83/25/91/1075832591.db2.gz QBCCBMYXELHFGG-CHWSQXEVSA-N 0 0 405.430 1.134 20 10 HDCDRN CCOC(=O)c1cnn2c1nccc2C(=O)NC1=S=C(C(=O)OCC)C(C)=C1 ZINC000611165108 1075864954 /nfs/dbraw/zinc/86/49/54/1075864954.db2.gz QQSQOYGLOVRIDJ-UHFFFAOYSA-N 0 0 402.432 1.194 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCN3CCOCC3)cc2F)C[C@@H](C)O1 ZINC000732871743 1075902216 /nfs/dbraw/zinc/90/22/16/1075902216.db2.gz MMMYSNVEIWELKV-QZTJIDSGSA-N 0 0 422.545 1.320 20 10 HDCDRN CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)S(C)(=O)=O ZINC000733098252 1075969094 /nfs/dbraw/zinc/96/90/94/1075969094.db2.gz YKVWZPRZRFEHSJ-UHFFFAOYSA-N 0 0 408.442 1.981 20 10 HDCDRN C[C@H]([C@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1)S(C)(=O)=O ZINC000733342195 1076046784 /nfs/dbraw/zinc/04/67/84/1076046784.db2.gz GTJGHSMFRHRHIJ-UONOGXRCSA-N 0 0 401.504 1.625 20 10 HDCDRN CO[C@@H](CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C(F)(F)F ZINC000733355148 1076050405 /nfs/dbraw/zinc/05/04/05/1076050405.db2.gz NFBGWUMZXPRVHV-ZFWWWQNUSA-N 0 0 402.417 1.765 20 10 HDCDRN C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000733369745 1076056996 /nfs/dbraw/zinc/05/69/96/1076056996.db2.gz SLIBMPUSHWCGNU-CYBMUJFWSA-N 0 0 407.467 1.801 20 10 HDCDRN NS(=O)(=O)c1ccc2c(c1)/C(=C\c1ccc(N3CCOCC3)c(F)c1)C(=O)N2 ZINC000727266643 1076090130 /nfs/dbraw/zinc/09/01/30/1076090130.db2.gz BNZRSBVQPXJRJM-OQLLNIDSSA-N 0 0 403.435 1.802 20 10 HDCDRN C[C@@H](CS(C)(=O)=O)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000733645054 1076138532 /nfs/dbraw/zinc/13/85/32/1076138532.db2.gz DLQQTHGWNJCBNE-LBPRGKRZSA-N 0 0 405.467 1.989 20 10 HDCDRN Cc1occc1C(=O)NC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000727489328 1076142661 /nfs/dbraw/zinc/14/26/61/1076142661.db2.gz SOOVVGAIZRSINS-UHFFFAOYSA-N 0 0 421.475 1.700 20 10 HDCDRN O=C(CCc1nc(-c2ncccn2)no1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000727708274 1076210982 /nfs/dbraw/zinc/21/09/82/1076210982.db2.gz NARMGTQVIBEVDQ-UHFFFAOYSA-N 0 0 412.425 1.751 20 10 HDCDRN CNS(=O)(=O)c1cc(C(=O)NCCCSc2nccs2)ccc1OC ZINC000733884765 1076239489 /nfs/dbraw/zinc/23/94/89/1076239489.db2.gz XEBXEBHKOIJCOL-UHFFFAOYSA-N 0 0 401.535 1.972 20 10 HDCDRN CC(=O)c1cc(F)cc(CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1O ZINC000766192969 1076249127 /nfs/dbraw/zinc/24/91/27/1076249127.db2.gz YXPRBKANWKQBET-UHFFFAOYSA-N 0 0 410.471 1.282 20 10 HDCDRN COC(=O)[C@@H]1CCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733995316 1076287207 /nfs/dbraw/zinc/28/72/07/1076287207.db2.gz BAMHYXTVOGWBCA-KHYOSLBOSA-N 0 0 407.486 1.693 20 10 HDCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000734016485 1076290710 /nfs/dbraw/zinc/29/07/10/1076290710.db2.gz VORCAMAOXZTXHF-UHFFFAOYSA-N 0 0 420.487 1.660 20 10 HDCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c1 ZINC000734017656 1076291009 /nfs/dbraw/zinc/29/10/09/1076291009.db2.gz UWLXYPGDZQPHEM-SSGOSMAHSA-N 0 0 423.469 1.820 20 10 HDCDRN CCCCCS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000727991687 1076298638 /nfs/dbraw/zinc/29/86/38/1076298638.db2.gz MGGKMPHTLWZPAZ-QGZVFWFLSA-N 0 0 409.552 1.610 20 10 HDCDRN C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCn2cnnc2C1 ZINC000730006120 1076410908 /nfs/dbraw/zinc/41/09/08/1076410908.db2.gz BMXIYCVCGQZBPE-ZDUSSCGKSA-N 0 0 401.426 1.896 20 10 HDCDRN CS(=O)(=O)NCCOC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000730598066 1076611317 /nfs/dbraw/zinc/61/13/17/1076611317.db2.gz PVIOXXBDJJSNLQ-UHFFFAOYSA-N 0 0 407.831 1.821 20 10 HDCDRN COC(=O)NCCC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000730748268 1076646292 /nfs/dbraw/zinc/64/62/92/1076646292.db2.gz NVBHJYCIYXGPOX-UHFFFAOYSA-N 0 0 416.457 1.305 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCCCN3C(=O)CNC3=O)cc2F)C[C@H](C)O1 ZINC000731045295 1076713309 /nfs/dbraw/zinc/71/33/09/1076713309.db2.gz AXDSMIUWRKOABS-OKILXGFUSA-N 0 0 421.473 1.180 20 10 HDCDRN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCNC(=O)C3(C)C)cc2F)C[C@H](C)O1 ZINC000731213984 1076747222 /nfs/dbraw/zinc/74/72/22/1076747222.db2.gz LXIUWUVPZQOOEA-GASCZTMLSA-N 0 0 406.502 1.266 20 10 HDCDRN