smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(CNC2CCN(c3ccc(C(=O)N4CCC[C@@H](O)C4)cc3)CC2)n1 ZINC000011912408 132352207 /nfs/dbraw/zinc/35/22/07/132352207.db2.gz QNJJQKUCFNMVSR-HSZRJFAPSA-N 0 3 408.546 2.746 50 0 HFAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2ccccc2F)CN1Cc1cccc(Cl)c1 ZINC000032580850 523914705 /nfs/dbraw/zinc/91/47/05/523914705.db2.gz GTLJNDPUPOEWOF-FPOVZHCZSA-N 0 3 419.928 2.974 50 0 HFAAHN COc1ccc([C@@H]2CCCN2CCC(=O)N2CCN(c3ccccn3)CC2)c(OC)c1 ZINC000032776773 525251390 /nfs/dbraw/zinc/25/13/90/525251390.db2.gz OUNHDKOTXKIIOB-NRFANRHFSA-N 0 3 424.545 2.975 50 0 HFAAHN Cc1cc2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)n(C)c2cc1C ZINC000032958028 525668235 /nfs/dbraw/zinc/66/82/35/525668235.db2.gz XDUMUOVMPHHKBH-UHFFFAOYSA-N 0 3 404.514 2.945 50 0 HFAAHN Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CCN(CC1CC1)C2 ZINC000071890452 557315441 /nfs/dbraw/zinc/31/54/41/557315441.db2.gz BOEQXJRTKLBDRR-IYBDPMFKSA-N 0 3 409.534 2.593 50 0 HFAAHN CCCCNC(=O)N1C[C@H](C(=O)NCCN2CCCC2)C[C@@H](c2ccccc2)C1 ZINC000034710432 557390563 /nfs/dbraw/zinc/39/05/63/557390563.db2.gz HOCZJKRAVBLSFU-NHCUHLMSSA-N 0 3 400.567 2.814 50 0 HFAAHN COc1ccc(CN2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000034916672 557482663 /nfs/dbraw/zinc/48/26/63/557482663.db2.gz KSNBRXQUNSPIEW-OAQYLSRUSA-N 0 3 421.541 2.825 50 0 HFAAHN COc1cccc(CN2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)c1 ZINC000034916777 557482677 /nfs/dbraw/zinc/48/26/77/557482677.db2.gz SLUCHURXDZRNRT-OAQYLSRUSA-N 0 3 421.541 2.825 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000034920800 557483546 /nfs/dbraw/zinc/48/35/46/557483546.db2.gz DOQMASJCTJPJIW-HXUWFJFHSA-N 0 3 417.525 2.929 50 0 HFAAHN CCOc1cc(CNCCCSc2nnnn2C)cc(Br)c1OC ZINC000004993820 557622243 /nfs/dbraw/zinc/62/22/43/557622243.db2.gz KXWAVGIVAOQLAM-UHFFFAOYSA-N 0 3 416.345 2.652 50 0 HFAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)NC[C@@H]3CCCO3)co2)c(C)c1 ZINC000046175190 557819921 /nfs/dbraw/zinc/81/99/21/557819921.db2.gz CBKUOCHMNHAEGV-RDJZCZTQSA-N 0 3 406.504 2.557 50 0 HFAAHN Cn1ccc(C(=O)NC[C@H]2CCC3(CCN(Cc4cn(C)c5ccccc45)CC3)O2)n1 ZINC000011784419 558275709 /nfs/dbraw/zinc/27/57/09/558275709.db2.gz SNZNPNKQMILPFJ-LJQANCHMSA-N 0 3 421.545 2.855 50 0 HFAAHN COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cccc4nonc43)C2)c1OC ZINC000011878160 558292597 /nfs/dbraw/zinc/29/25/97/558292597.db2.gz DPHYSPONRSCZAQ-HNNXBMFYSA-N 0 3 410.474 2.882 50 0 HFAAHN CCOC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000011936328 558300205 /nfs/dbraw/zinc/30/02/05/558300205.db2.gz ASHUITJHAOQFGM-AWEZNQCLSA-N 0 3 403.479 2.878 50 0 HFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000019890001 558302707 /nfs/dbraw/zinc/30/27/07/558302707.db2.gz ZLDPEZBSLSJDPH-QFIPXVFZSA-N 0 3 420.513 2.531 50 0 HFAAHN CCN(CC)C(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)(C)CN(C)C)c1=O ZINC000012036834 558311903 /nfs/dbraw/zinc/31/19/03/558311903.db2.gz LQWUZTWSMFEZMI-UHFFFAOYSA-N 0 3 418.582 2.763 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000012197816 558350331 /nfs/dbraw/zinc/35/03/31/558350331.db2.gz KTFUVVUOYKNKAS-OAQYLSRUSA-N 0 3 403.542 2.988 50 0 HFAAHN CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 ZINC000020351649 558356565 /nfs/dbraw/zinc/35/65/65/558356565.db2.gz XUQGBLOZXXSHBD-OAQYLSRUSA-N 0 3 401.551 2.597 50 0 HFAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CCN1CCCCC1=O ZINC000012297945 558367914 /nfs/dbraw/zinc/36/79/14/558367914.db2.gz NEDBRHQWLAJWAV-UHFFFAOYSA-N 0 3 403.542 2.941 50 0 HFAAHN O[C@H](CNCCNc1nccc(C(F)(F)F)n1)COc1cccc(C(F)(F)F)c1 ZINC000012338940 558385799 /nfs/dbraw/zinc/38/57/99/558385799.db2.gz XFYMXRLRNDLHNC-GFCCVEGCSA-N 0 3 424.345 2.956 50 0 HFAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CSc2ncccn2)C1 ZINC000012459711 558418795 /nfs/dbraw/zinc/41/87/95/558418795.db2.gz SQVQCNIOUJAYRN-SFHVURJKSA-N 0 3 414.575 2.990 50 0 HFAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1C ZINC000021795281 558449677 /nfs/dbraw/zinc/44/96/77/558449677.db2.gz VUEONSJFJXHKHL-UHFFFAOYSA-N 0 3 410.522 2.593 50 0 HFAAHN CN(C(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)[C@@H]1CCOC1 ZINC000012716064 558455379 /nfs/dbraw/zinc/45/53/79/558455379.db2.gz IVYTWININMFZPJ-LJQANCHMSA-N 0 3 412.534 2.756 50 0 HFAAHN C[C@@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NCCc1ccc(F)cc1 ZINC000022793376 558512140 /nfs/dbraw/zinc/51/21/40/558512140.db2.gz NAZNBYUCIIUVBN-VGOFRKELSA-N 0 3 417.500 2.675 50 0 HFAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000023254080 558546084 /nfs/dbraw/zinc/54/60/84/558546084.db2.gz YPDOLNVLVBEZPF-UHFFFAOYSA-N 0 3 406.530 2.960 50 0 HFAAHN COc1ccc([C@H](CNC[C@H](O)COc2ccc(CCC(C)=O)cc2)N(C)C)cc1 ZINC000025637863 558646314 /nfs/dbraw/zinc/64/63/14/558646314.db2.gz QPOVKMZOMXTZPS-URXFXBBRSA-N 0 3 414.546 2.849 50 0 HFAAHN COc1ccc([C@@H](CNC[C@H](O)COc2ccc(CCC(C)=O)cc2)N(C)C)cc1 ZINC000025637857 558646381 /nfs/dbraw/zinc/64/63/81/558646381.db2.gz QPOVKMZOMXTZPS-XUZZJYLKSA-N 0 3 414.546 2.849 50 0 HFAAHN COC(=O)CN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccccc3)CC2)C1=O ZINC000014741596 558667238 /nfs/dbraw/zinc/66/72/38/558667238.db2.gz OWGFWOJGDTWOMT-UHFFFAOYSA-N 0 3 421.497 2.659 50 0 HFAAHN COc1cccc(CN2CCC3(CC2)C(=O)N(CCCc2ccncc2)C(=O)N3C)c1 ZINC000014744528 558668516 /nfs/dbraw/zinc/66/85/16/558668516.db2.gz HVNKNXUQASBVFM-UHFFFAOYSA-N 0 3 422.529 2.952 50 0 HFAAHN Cc1ccc(CN[C@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)o1 ZINC000014749261 558670162 /nfs/dbraw/zinc/67/01/62/558670162.db2.gz WYHWHJLAXZBUFL-KRWDZBQOSA-N 0 3 400.523 2.560 50 0 HFAAHN CCOc1ccc(C(=O)NCC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000027606109 558677295 /nfs/dbraw/zinc/67/72/95/558677295.db2.gz KAIPLOUNNSYVDL-GOSISDBHSA-N 0 3 401.532 2.830 50 0 HFAAHN CN(CCn1cccn1)Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O ZINC000014958283 558683145 /nfs/dbraw/zinc/68/31/45/558683145.db2.gz YVDOSCVOUUCIMS-UHFFFAOYSA-N 0 3 411.525 2.955 50 0 HFAAHN COc1ccc2c(c1)C[C@H](C(=O)NCCCN1CCN(Cc3ccccc3)CC1)CO2 ZINC000022937991 558728272 /nfs/dbraw/zinc/72/82/72/558728272.db2.gz GFCILEUKCFZGOA-QFIPXVFZSA-N 0 3 423.557 2.570 50 0 HFAAHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000058128585 558900188 /nfs/dbraw/zinc/90/01/88/558900188.db2.gz MIRJDHQUUNFFJQ-VGSWGCGISA-N 0 3 420.504 2.594 50 0 HFAAHN Cc1cc(=O)c(C(=O)N2CCC[C@@H](N(C)C)C2)nn1-c1ccccc1C(F)(F)F ZINC000058394349 558923999 /nfs/dbraw/zinc/92/39/99/558923999.db2.gz NTTKQWLZEWYFCU-CQSZACIVSA-N 0 3 408.424 2.726 50 0 HFAAHN CC(C)=CCn1c(=O)c2nc(C(=O)NCCN(C)C)cn2cc1-c1ccc(F)cc1 ZINC000072424187 558978632 /nfs/dbraw/zinc/97/86/32/558978632.db2.gz KYVMRIIFKIZSHW-UHFFFAOYSA-N 0 3 411.481 2.560 50 0 HFAAHN CCNc1cc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)CC2)nc(C)n1 ZINC000072436972 558980267 /nfs/dbraw/zinc/98/02/67/558980267.db2.gz NMMPSYWYWZMJHO-UHFFFAOYSA-N 0 3 419.489 2.762 50 0 HFAAHN CN1CCC(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000067603415 558988073 /nfs/dbraw/zinc/98/80/73/558988073.db2.gz CTLWCJWHOGIFNK-UHFFFAOYSA-N 0 3 419.522 2.616 50 0 HFAAHN O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)NCCN1CCCC1 ZINC000004735488 559034678 /nfs/dbraw/zinc/03/46/78/559034678.db2.gz JVSCRUDUOPEJEL-HSZRJFAPSA-N 0 3 402.498 2.925 50 0 HFAAHN Cc1cnc(CN2CC3(CCC2=O)CCN(CCn2cc(Cl)cn2)CC3)cn1 ZINC000095370052 559080178 /nfs/dbraw/zinc/08/01/78/559080178.db2.gz PEBSHPOFAYKGCJ-UHFFFAOYSA-N 0 3 402.930 2.540 50 0 HFAAHN COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@H](O)CN1CCCCC1 ZINC000095496970 559081575 /nfs/dbraw/zinc/08/15/75/559081575.db2.gz MVOCCBUZTHPTOI-LJQANCHMSA-N 0 3 403.523 2.849 50 0 HFAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2nc3ccccc3o2)CC1 ZINC000095522255 559085401 /nfs/dbraw/zinc/08/54/01/559085401.db2.gz PGDWYFMFKCFSHH-SFHVURJKSA-N 0 3 401.507 2.807 50 0 HFAAHN CCc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1 ZINC000004851640 559191128 /nfs/dbraw/zinc/19/11/28/559191128.db2.gz IXVZMRJODFERQP-UHFFFAOYSA-N 0 3 400.548 2.587 50 0 HFAAHN Cc1oc2c(c1C(=O)NC[C@H]1CCN(Cc3ccc(C)cc3)C1)C1=NCCN1C=N2 ZINC000100696323 559257140 /nfs/dbraw/zinc/25/71/40/559257140.db2.gz OHGXSKWSVFLVSM-GOSISDBHSA-N 0 3 405.502 2.884 50 0 HFAAHN COCc1c(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)sc2cccc(F)c21 ZINC000078714431 560540378 /nfs/dbraw/zinc/54/03/78/560540378.db2.gz FVWFQIRVQXRGEN-UHFFFAOYSA-N 0 3 421.538 2.717 50 0 HFAAHN O=C(CCN1CCN(C[C@H]2CCOC2)CC1)Nc1ccc(Br)cc1F ZINC000079020276 560541408 /nfs/dbraw/zinc/54/14/08/560541408.db2.gz ZMWCOKUJUOWCNM-CQSZACIVSA-N 0 3 414.319 2.571 50 0 HFAAHN CCc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 ZINC000005254393 560551951 /nfs/dbraw/zinc/55/19/51/560551951.db2.gz UANQCHMITDNUBG-UHFFFAOYSA-N 0 3 414.575 2.977 50 0 HFAAHN CN(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CCN(C)CC1 ZINC000004868412 560614309 /nfs/dbraw/zinc/61/43/09/560614309.db2.gz MHXYPBTYZSMNPK-UHFFFAOYSA-N 0 3 414.472 2.507 50 0 HFAAHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000106185307 560885168 /nfs/dbraw/zinc/88/51/68/560885168.db2.gz BXYHFSVTTLPZRP-MOPGFXCFSA-N 0 3 408.502 2.509 50 0 HFAAHN CCCCN(C(=O)CN(C)C1CCC(CC)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000048340550 568440385 /nfs/dbraw/zinc/44/03/85/568440385.db2.gz BQBCUIRBFRMQJG-UHFFFAOYSA-N 0 3 421.586 2.563 50 0 HFAAHN Cc1ccc(CN2CCc3ncn(CC(=O)NCc4ccccc4F)c(=O)c3C2)cc1 ZINC000049400920 568447631 /nfs/dbraw/zinc/44/76/31/568447631.db2.gz RVANAQUJXCUZPB-UHFFFAOYSA-N 0 3 420.488 2.566 50 0 HFAAHN CCCN1CCN(CCCNC(=O)c2nn(C)c3c2CSc2ccccc2-3)CC1 ZINC000020485191 568612951 /nfs/dbraw/zinc/61/29/51/568612951.db2.gz ODNIPFYTIVUXHR-UHFFFAOYSA-N 0 3 413.591 2.840 50 0 HFAAHN CCN1CCN(CCNC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)CC1 ZINC000020514901 568622456 /nfs/dbraw/zinc/62/24/56/568622456.db2.gz GGKHCSIWQCLSSE-NDEPHWFRSA-N 0 3 423.966 2.608 50 0 HFAAHN CCN(CC)[C@@H](CNC(=O)C(C)(C)CN1CCn2ccnc2C1)c1ccsc1 ZINC000095465156 568623044 /nfs/dbraw/zinc/62/30/44/568623044.db2.gz DBDWNYKQIOKBSD-SFHVURJKSA-N 0 3 403.596 2.986 50 0 HFAAHN Cc1nn2c(ncc(C(=O)NCCCN3CCN(C)CC3)c2C)c1-c1cccc(C)c1 ZINC000021537898 568712997 /nfs/dbraw/zinc/71/29/97/568712997.db2.gz YVXWLGJKNLUFFX-UHFFFAOYSA-N 0 3 420.561 2.689 50 0 HFAAHN CN(CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Cc1ccccc1 ZINC000003005992 568837229 /nfs/dbraw/zinc/83/72/29/568837229.db2.gz GUISBYILYRJZGS-UHFFFAOYSA-N 0 3 410.905 2.812 50 0 HFAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)NC(=O)NC3CCCC3)c(C)c2)CC1 ZINC000012535617 568845226 /nfs/dbraw/zinc/84/52/26/568845226.db2.gz CGEMNNOAUGAXDG-KRWDZBQOSA-N 0 3 401.555 2.706 50 0 HFAAHN Cc1cccn2cc(COc3ccccc3C(=O)NCC3CCN(CCO)CC3)nc12 ZINC000084247934 568945030 /nfs/dbraw/zinc/94/50/30/568945030.db2.gz DENMNYRXOKQJNX-UHFFFAOYSA-N 0 3 422.529 2.656 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2nnc(-c3oc4c(cccc4C)c3C)o2)CC1 ZINC000085653645 569006016 /nfs/dbraw/zinc/00/60/16/569006016.db2.gz LBEGNGZRAGALJI-UHFFFAOYSA-N 0 3 411.506 2.857 50 0 HFAAHN CC[C@H](C(=O)NCCN1CCCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787516 569094212 /nfs/dbraw/zinc/09/42/12/569094212.db2.gz IPNRDWZXLMWZML-LJQANCHMSA-N 0 3 409.534 2.832 50 0 HFAAHN CCN1CCN(CCNC(=O)c2ccc(-c3ccnc(N4CCCCC4)n3)cc2)CC1 ZINC000065171760 569190262 /nfs/dbraw/zinc/19/02/62/569190262.db2.gz NMKFMDQERFQYSO-UHFFFAOYSA-N 0 3 422.577 2.501 50 0 HFAAHN CCNc1cc(N2CCC[C@@H](CCC(=O)NCCN3CCCCCC3)C2)ncn1 ZINC000065245125 569204904 /nfs/dbraw/zinc/20/49/04/569204904.db2.gz FHHWIAZHLCPTOW-IBGZPJMESA-N 0 3 402.587 2.897 50 0 HFAAHN CN(CCc1ccncc1)C(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256271 569208384 /nfs/dbraw/zinc/20/83/84/569208384.db2.gz PSGWUHILUIOJQM-QFIPXVFZSA-N 0 3 401.514 2.942 50 0 HFAAHN CCCCN1CCN(C(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256322 569208392 /nfs/dbraw/zinc/20/83/92/569208392.db2.gz QJEAATIKEQMVMS-JOCHJYFZSA-N 0 3 407.562 2.790 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312202 569221231 /nfs/dbraw/zinc/22/12/31/569221231.db2.gz JCICOJAPUDWOFR-FQEVSTJZSA-N 0 3 418.545 2.727 50 0 HFAAHN CC1CCN([C@H](CNC(=O)N2CCN(c3ncccn3)CC2)c2cccs2)CC1 ZINC000017126294 569275244 /nfs/dbraw/zinc/27/52/44/569275244.db2.gz REKVFAWNSZPZLV-GOSISDBHSA-N 0 3 414.579 2.843 50 0 HFAAHN O=C([C@@H]1CCCO1)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252494577 569290723 /nfs/dbraw/zinc/29/07/23/569290723.db2.gz NYYVKNGYGZLUPZ-IBGZPJMESA-N 0 3 411.468 2.997 50 0 HFAAHN Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000581819830 569320911 /nfs/dbraw/zinc/32/09/11/569320911.db2.gz NKGBTXWSQDENJB-FQEVSTJZSA-N 0 3 418.582 2.719 50 0 HFAAHN CCN(CCN1CCCCCC1)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000253420318 569367850 /nfs/dbraw/zinc/36/78/50/569367850.db2.gz OOFUNBMENGMWHI-UHFFFAOYSA-N 0 3 411.568 2.711 50 0 HFAAHN COc1cccc(-c2cc(C(=O)N3CCN(CCn4c(C)ccc4C)CC3)n[nH]2)c1 ZINC000013366674 569412392 /nfs/dbraw/zinc/41/23/92/569412392.db2.gz BQEJVFBGELTQJY-UHFFFAOYSA-N 0 3 407.518 2.962 50 0 HFAAHN CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2O1 ZINC000079191041 569429325 /nfs/dbraw/zinc/42/93/25/569429325.db2.gz USRMHOIJQHJTJJ-DOTOQJQBSA-N 0 3 416.518 2.896 50 0 biogenic HFAAHN CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2O1 ZINC000079191041 569429326 /nfs/dbraw/zinc/42/93/26/569429326.db2.gz USRMHOIJQHJTJJ-DOTOQJQBSA-N 0 3 416.518 2.896 50 0 biogenic HFAAHN CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCCN3CC)C2)ncn1 ZINC000245326092 571225074 /nfs/dbraw/zinc/22/50/74/571225074.db2.gz DBTVTGAUTCUXIL-RTBURBONSA-N 0 3 402.587 2.896 50 0 HFAAHN O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)NCCc1ccccc1 ZINC000009218097 571237701 /nfs/dbraw/zinc/23/77/01/571237701.db2.gz UMVRFBVCKWEZCE-SFHVURJKSA-N 0 3 406.463 2.931 50 0 HFAAHN CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)c1 ZINC000032733332 520056731 /nfs/dbraw/zinc/05/67/31/520056731.db2.gz WIPRYPZJMRCSDH-FQEVSTJZSA-N 0 3 403.548 2.580 50 0 HFAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2cccc(Cl)c2)CN1Cc1ccccc1 ZINC000032577738 523913530 /nfs/dbraw/zinc/91/35/30/523913530.db2.gz BGIGUTFRPLCUIX-RTWAWAEBSA-N 0 3 401.938 2.835 50 0 HFAAHN CCN(CC)CCn1c2ccccc2n(C[C@H](O)COc2ccccc2OC)c1=N ZINC000001235471 557250210 /nfs/dbraw/zinc/25/02/10/557250210.db2.gz QBTLXKVNYXGYLM-SFHVURJKSA-N 0 3 412.534 2.713 50 0 HFAAHN COc1ccccc1N1CCN(Cc2ccc(C(=O)NCCN3CCCC3)cc2)CC1 ZINC000034668493 557361927 /nfs/dbraw/zinc/36/19/27/557361927.db2.gz HDLXHSGPLRFPBJ-UHFFFAOYSA-N 0 3 422.573 2.843 50 0 HFAAHN Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N1CCN2CCC[C@H]2C1 ZINC000002777632 557761058 /nfs/dbraw/zinc/76/10/58/557761058.db2.gz DQDRMGNXMWVQSW-NSHDSACASA-N 0 3 409.250 2.670 50 0 HFAAHN CN(CCO)[C@@H]1c2ccccc2C2(CCN(C(=O)Nc3ccccc3F)CC2)[C@H]1O ZINC000019739736 558260758 /nfs/dbraw/zinc/26/07/58/558260758.db2.gz UWYOZJPGUXJPEF-RTWAWAEBSA-N 0 3 413.493 2.731 50 0 HFAAHN COc1cc(CN2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)cc(OC)c1OC ZINC000011871069 558290238 /nfs/dbraw/zinc/29/02/38/558290238.db2.gz UANNWUGRBFAPRM-GOSISDBHSA-N 0 3 420.550 2.998 50 0 HFAAHN COC(=O)C1CCN(C[C@@H](O)COc2cccc(CNCc3ccccc3)c2)CC1 ZINC000011879365 558293977 /nfs/dbraw/zinc/29/39/77/558293977.db2.gz VNSOZHZYBIMMQN-JOCHJYFZSA-N 0 3 412.530 2.601 50 0 HFAAHN O=c1c(CNCc2cccnc2)cc2cc3c(cc2n1CCN1CCCCC1)OCO3 ZINC000012149108 558338642 /nfs/dbraw/zinc/33/86/42/558338642.db2.gz MISKXWNSPOMFBB-UHFFFAOYSA-N 0 3 420.513 2.901 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000012197825 558350372 /nfs/dbraw/zinc/35/03/72/558350372.db2.gz KTFUVVUOYKNKAS-NRFANRHFSA-N 0 3 403.542 2.988 50 0 HFAAHN C[C@@H](CCN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)c1ccccc1 ZINC000012200131 558351066 /nfs/dbraw/zinc/35/10/66/558351066.db2.gz ULIGTTFJDBDIRG-SFHVURJKSA-N 0 3 404.518 2.655 50 0 HFAAHN O[C@@H](CNCCNc1nccc(C(F)(F)F)n1)COc1cccc(C(F)(F)F)c1 ZINC000012338941 558385822 /nfs/dbraw/zinc/38/58/22/558385822.db2.gz XFYMXRLRNDLHNC-LBPRGKRZSA-N 0 3 424.345 2.956 50 0 HFAAHN COCCN1CCC(CNC(=O)c2cc(COc3ccc4ncccc4c3)on2)CC1 ZINC000012435164 558408874 /nfs/dbraw/zinc/40/88/74/558408874.db2.gz JIUTYDRYEWOSPZ-UHFFFAOYSA-N 0 3 424.501 2.890 50 0 HFAAHN O[C@H]1CN(Cc2cccc(-c3ccco3)c2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000020782308 558413055 /nfs/dbraw/zinc/41/30/55/558413055.db2.gz HBEDKIBAVHTYMG-VXKWHMMOSA-N 0 3 404.514 2.709 50 0 HFAAHN COc1ccc(CN(C)Cc2cc[nH]n2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012447516 558414868 /nfs/dbraw/zinc/41/48/68/558414868.db2.gz VIRBOKCCHCJWGA-QFIPXVFZSA-N 0 3 424.545 2.922 50 0 HFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000021793588 558448903 /nfs/dbraw/zinc/44/89/03/558448903.db2.gz RCDYCIPETCSGLY-UHFFFAOYSA-N 0 3 404.312 2.576 50 0 HFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000021793584 558448911 /nfs/dbraw/zinc/44/89/11/558448911.db2.gz STUCSNJCFRODRY-UHFFFAOYSA-N 0 3 404.312 2.576 50 0 HFAAHN CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1O[C@H](C)C(=O)N(C)C ZINC000022770267 558508637 /nfs/dbraw/zinc/50/86/37/558508637.db2.gz ZGFWKPBOBYBUTE-OAHLLOKOSA-N 0 3 400.475 2.959 50 0 HFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000013144988 558522696 /nfs/dbraw/zinc/52/26/96/558522696.db2.gz FSCVDPOZJLMSOL-FXAWDEMLSA-N 0 3 406.465 2.622 50 0 HFAAHN Cc1ccc(CN2CCCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000022995720 558529668 /nfs/dbraw/zinc/52/96/68/558529668.db2.gz AOHPZOWPVHQVAH-MRXNPFEDSA-N 0 3 400.548 2.690 50 0 HFAAHN Cc1nn(C)cc1CNCc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000013596782 558547446 /nfs/dbraw/zinc/54/74/46/558547446.db2.gz YBAVFJACUUJXRI-HSZRJFAPSA-N 0 3 408.546 2.890 50 0 HFAAHN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc3cccnc31)CC2 ZINC000023339834 558550547 /nfs/dbraw/zinc/55/05/47/558550547.db2.gz PXAYODPQMFZOTF-MRXNPFEDSA-N 0 3 416.485 2.969 50 0 HFAAHN CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)CC1 ZINC000023368039 558552841 /nfs/dbraw/zinc/55/28/41/558552841.db2.gz WAYITNZSRXLGMH-NRFANRHFSA-N 0 3 400.567 2.593 50 0 HFAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000023374990 558554502 /nfs/dbraw/zinc/55/45/02/558554502.db2.gz LOLBOWJTTXQDQR-OAQYLSRUSA-N 0 3 411.550 2.826 50 0 HFAAHN COc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)Cc2cccs2)cc1 ZINC000014076975 558618003 /nfs/dbraw/zinc/61/80/03/558618003.db2.gz HBQYXHZNOLXGMF-INIZCTEOSA-N 0 3 413.543 2.788 50 0 HFAAHN CN(C)[C@@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1 ZINC000024953262 558622068 /nfs/dbraw/zinc/62/20/68/558622068.db2.gz XPJOYRISDJVEGK-INIZCTEOSA-N 0 3 410.543 2.825 50 0 HFAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cccc(F)c1F)C2 ZINC000014741514 558667234 /nfs/dbraw/zinc/66/72/34/558667234.db2.gz XTOQZNWFSOCCGW-CQSZACIVSA-N 0 3 406.502 2.534 50 0 HFAAHN Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@H](NCc1cc(F)ccc1F)C2 ZINC000014747057 558669468 /nfs/dbraw/zinc/66/94/68/558669468.db2.gz YSEJIRROXLIJCW-KRWDZBQOSA-N 0 3 411.456 2.670 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)CC1 ZINC000022936524 558672785 /nfs/dbraw/zinc/67/27/85/558672785.db2.gz ZGXDLRABCOOHCY-UHFFFAOYSA-N 0 3 420.561 2.729 50 0 HFAAHN CN(C)CCSc1nnc(CNC(=O)C2(c3ccccc3)CCCCC2)n1C ZINC000014979511 558690655 /nfs/dbraw/zinc/69/06/55/558690655.db2.gz HMBOXOJMVYREIW-UHFFFAOYSA-N 0 3 401.580 2.987 50 0 HFAAHN O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCN1CCCCC1 ZINC000032995423 558810051 /nfs/dbraw/zinc/81/00/51/558810051.db2.gz ZTMOOIWVXZFJPG-UHFFFAOYSA-N 0 3 419.526 2.854 50 0 HFAAHN OCCOc1cccc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000019300054 558866236 /nfs/dbraw/zinc/86/62/36/558866236.db2.gz JTIOJIACOASSOA-HSZRJFAPSA-N 0 3 413.537 2.983 50 0 HFAAHN CCN1CCN(C[C@@H](O)COc2cccc(CNC3(c4ccccc4)CC3)c2)CC1 ZINC000019340308 558871480 /nfs/dbraw/zinc/87/14/80/558871480.db2.gz WDQCDQZOEDHFHI-HSZRJFAPSA-N 0 3 409.574 2.843 50 0 HFAAHN COc1cc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)ccc1OCCN1CCCC1 ZINC000055132815 558873691 /nfs/dbraw/zinc/87/36/91/558873691.db2.gz DDSLZJLGXZGIEI-UHFFFAOYSA-N 0 3 405.462 2.689 50 0 HFAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2cccc(OC)c2)CC1 ZINC000004669429 558877215 /nfs/dbraw/zinc/87/72/15/558877215.db2.gz BSXRKTUAAXMYHE-UHFFFAOYSA-N 0 3 408.568 2.877 50 0 HFAAHN CCN(C(=O)c1cccc(S(N)(=O)=O)c1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058294084 558916880 /nfs/dbraw/zinc/91/68/80/558916880.db2.gz MLXIEIZBMYYRPI-QFBILLFUSA-N 0 3 401.532 2.632 50 0 HFAAHN CN(CCNC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1)Cc1ccccc1 ZINC000033061689 558955333 /nfs/dbraw/zinc/95/53/33/558955333.db2.gz ITORAMXZZGEJLW-UHFFFAOYSA-N 0 3 423.542 2.971 50 0 HFAAHN C[C@@H]1CCCCN1CCNC(=O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033061962 558955610 /nfs/dbraw/zinc/95/56/10/558955610.db2.gz NZPDXMGNRRXTRV-CQSZACIVSA-N 0 3 419.526 2.853 50 0 HFAAHN CN1CCC(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000065365042 558976100 /nfs/dbraw/zinc/97/61/00/558976100.db2.gz KJTONEZKACFIOJ-UHFFFAOYSA-N 0 3 421.950 2.746 50 0 HFAAHN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCC[C@@H](N(C)C)C3)[nH]c(=O)c2c1C ZINC000097000955 558987567 /nfs/dbraw/zinc/98/75/67/558987567.db2.gz IUOHSNOJCPKUSI-UONOGXRCSA-N 0 3 408.593 2.776 50 0 HFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Cc3noc4ccccc34)CC2)n1 ZINC000067629754 558990302 /nfs/dbraw/zinc/99/03/02/558990302.db2.gz OTBQKELGRZWMIE-UHFFFAOYSA-N 0 3 420.517 2.808 50 0 HFAAHN O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)N1CCN(C2CCCCC2)CC1 ZINC000097124065 558995818 /nfs/dbraw/zinc/99/58/18/558995818.db2.gz KJCBQCKEZWTBLO-UHFFFAOYSA-N 0 3 402.514 2.540 50 0 HFAAHN O=C1CCC2(CCN(CCn3cc(Cl)cn3)CC2)CN1CCc1ccccn1 ZINC000095361575 559079921 /nfs/dbraw/zinc/07/99/21/559079921.db2.gz GFOKKZHDWYZDTB-UHFFFAOYSA-N 0 3 401.942 2.879 50 0 HFAAHN COc1ccc(CN(C)Cc2c(C)noc2C)c(OC[C@H](O)CN2CCCC2)c1 ZINC000095509238 559083647 /nfs/dbraw/zinc/08/36/47/559083647.db2.gz WDSVIAFTVSIUAM-LJQANCHMSA-N 0 3 403.523 2.768 50 0 HFAAHN CCC(=O)N1CCc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21 ZINC000004969118 559218876 /nfs/dbraw/zinc/21/88/76/559218876.db2.gz ZOGMMZSXKYDHKW-UHFFFAOYSA-N 0 3 405.564 2.625 50 0 HFAAHN CN(C)C[C@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)[C@@H](O)c1ccccc1 ZINC000047791043 568431273 /nfs/dbraw/zinc/43/12/73/568431273.db2.gz VVTIHQNPKPWGNT-RDJZCZTQSA-N 0 3 412.519 2.633 50 0 HFAAHN CC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000049400737 568447569 /nfs/dbraw/zinc/44/75/69/568447569.db2.gz LVTDEACXNYOVSX-UHFFFAOYSA-N 0 3 416.481 2.643 50 0 HFAAHN CN(C(=O)c1n[nH]c(=O)c2ccccc21)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012302114 568464081 /nfs/dbraw/zinc/46/40/81/568464081.db2.gz YIVAJIZCHWSGAT-GOSISDBHSA-N 0 3 402.498 2.627 50 0 HFAAHN CCN(CC)[C@H](CNC(=O)C(C)(C)CN1CCn2ccnc2C1)c1ccsc1 ZINC000095465157 568623128 /nfs/dbraw/zinc/62/31/28/568623128.db2.gz DBDWNYKQIOKBSD-GOSISDBHSA-N 0 3 403.596 2.986 50 0 HFAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCN(c2ccccc2)CC1 ZINC000095479578 568632560 /nfs/dbraw/zinc/63/25/60/568632560.db2.gz BJRQDLFIDIBIOD-UHFFFAOYSA-N 0 3 410.562 2.789 50 0 HFAAHN CCc1ccc(N2C[C@@H](C(=O)OCCCN3CCN(C(C)C)CC3)CC2=O)cc1 ZINC000225842766 568679751 /nfs/dbraw/zinc/67/97/51/568679751.db2.gz AAXMNGQHLMQMSM-FQEVSTJZSA-N 0 3 401.551 2.561 50 0 HFAAHN O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@H]2C1 ZINC000002755751 568806655 /nfs/dbraw/zinc/80/66/55/568806655.db2.gz JAYCCZFGDAGENU-LBPRGKRZSA-N 0 3 405.380 2.928 50 0 HFAAHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000116785830 568937184 /nfs/dbraw/zinc/93/71/84/568937184.db2.gz YQTDNBMNJIMTOJ-OAHLLOKOSA-N 0 3 411.568 2.974 50 0 HFAAHN CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)CC1 ZINC000015730925 568981491 /nfs/dbraw/zinc/98/14/91/568981491.db2.gz UWHXKKGVAHRNBT-OAHLLOKOSA-N 0 3 411.593 2.910 50 0 HFAAHN COc1cc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)cc(OC)c1 ZINC000008206598 568982689 /nfs/dbraw/zinc/98/26/89/568982689.db2.gz GYNRMOOKCVZUQG-UHFFFAOYSA-N 0 3 412.530 2.937 50 0 HFAAHN CC1CCN(CCNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000040108872 569048099 /nfs/dbraw/zinc/04/80/99/569048099.db2.gz JNGIUVNRDFGGMO-WOJGMQOQSA-N 0 3 419.591 2.547 50 0 HFAAHN COc1ccc(CCN(C)C[C@@H](O)COc2ccc(C(C)=O)cc2OC)cc1OC ZINC000006552207 569065281 /nfs/dbraw/zinc/06/52/81/569065281.db2.gz VIPVWGRBEZSTKS-LJQANCHMSA-N 0 3 417.502 2.829 50 0 HFAAHN COc1ccc(F)c(CN2CCC[C@]3(CCN(CC(=O)N(C)C(C)C)C3)C2=O)c1 ZINC000426409221 569072783 /nfs/dbraw/zinc/07/27/83/569072783.db2.gz FJATUQCKFTVERP-JOCHJYFZSA-N 0 3 405.514 2.516 50 0 HFAAHN CCN(CC)CC(=O)N1CC[C@@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000426526850 569073276 /nfs/dbraw/zinc/07/32/76/569073276.db2.gz JWCIDICIMWSXBG-JOCHJYFZSA-N 0 3 405.514 2.517 50 0 HFAAHN CN1CCC(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000006654328 569082776 /nfs/dbraw/zinc/08/27/76/569082776.db2.gz QGTHIEBRPLUYOS-UHFFFAOYSA-N 0 3 401.580 2.908 50 0 HFAAHN CCN1CCN(CCCNc2ccc(-c3nc(-c4ccc(OC)cc4)no3)nn2)CC1 ZINC000064838053 569106201 /nfs/dbraw/zinc/10/62/01/569106201.db2.gz QOLGYSGCLITHAJ-UHFFFAOYSA-N 0 3 423.521 2.642 50 0 HFAAHN CCOc1ccc(CNCc2cccn2-c2nnc(N3CCN(C)CC3)s2)cc1 ZINC000007002069 569198912 /nfs/dbraw/zinc/19/89/12/569198912.db2.gz OYOXICSXHXXULL-UHFFFAOYSA-N 0 3 412.563 2.769 50 0 HFAAHN CCNc1cc(N2CCC[C@@H](CCC(=O)N3CCN(CC(C)C)CC3)C2)ncn1 ZINC000065245077 569204927 /nfs/dbraw/zinc/20/49/27/569204927.db2.gz IJODZFLEPYUGJY-IBGZPJMESA-N 0 3 402.587 2.705 50 0 HFAAHN CCCCN1CCN(C(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)CC1 ZINC000065255990 569208072 /nfs/dbraw/zinc/20/80/72/569208072.db2.gz FBWNOQFPTPWMJB-JOCHJYFZSA-N 0 3 407.562 2.790 50 0 HFAAHN CCCCN1CCN(C(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)CC1 ZINC000065256321 569208420 /nfs/dbraw/zinc/20/84/20/569208420.db2.gz QJEAATIKEQMVMS-QFIPXVFZSA-N 0 3 407.562 2.790 50 0 HFAAHN Cc1ccc(-c2nccn3cc(C(=O)N4CCN(C5CCN(C)CC5)CC4)nc23)cc1 ZINC000065274550 569215267 /nfs/dbraw/zinc/21/52/67/569215267.db2.gz LQOSIRUYAOKPFB-UHFFFAOYSA-N 0 3 418.545 2.557 50 0 HFAAHN CC(C)Cn1c2ccccc2n2nc(C(=O)NCCN3CCC[C@@H](C)C3)cc2c1=O ZINC000065292430 569218151 /nfs/dbraw/zinc/21/81/51/569218151.db2.gz GBZUKZWBFIPAAH-QGZVFWFLSA-N 0 3 409.534 2.767 50 0 HFAAHN CCN1CCN(CCC(=O)N2CCc3cccc(NC(=O)OC(C)(C)C)c32)CC1 ZINC000170599566 569242842 /nfs/dbraw/zinc/24/28/42/569242842.db2.gz BPSNPEFFJLUZFI-UHFFFAOYSA-N 0 3 402.539 2.950 50 0 HFAAHN C[C@@H](NC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCCC1 ZINC000253406319 569366001 /nfs/dbraw/zinc/36/60/01/569366001.db2.gz YAYMLDODNYEWLD-JLSDUUJJSA-N 0 3 411.468 2.916 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000007960790 569420371 /nfs/dbraw/zinc/42/03/71/569420371.db2.gz UVDYXXVBHUZLOU-IBGZPJMESA-N 0 3 401.532 2.726 50 0 HFAAHN CN(C)[C@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000078985313 569422923 /nfs/dbraw/zinc/42/29/23/569422923.db2.gz JZPRYJKRGXQIGK-NRFANRHFSA-N 0 3 416.953 2.997 50 0 HFAAHN NC(=O)C1(N2CCCCC2)CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000067284974 571064019 /nfs/dbraw/zinc/06/40/19/571064019.db2.gz YLWBHZIHNIKPPL-UHFFFAOYSA-N 0 3 422.508 2.846 50 0 HFAAHN CCOC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@H]1c1ccccc1OCC ZINC000067286798 571065277 /nfs/dbraw/zinc/06/52/77/571065277.db2.gz AVKUQQPAVJOEHQ-FQEVSTJZSA-N 0 3 401.507 2.988 50 0 HFAAHN Cc1ccc(NC(=O)CN(C)C(=O)CN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000040040200 571142459 /nfs/dbraw/zinc/14/24/59/571142459.db2.gz XSLKYIAQCIESGV-UHFFFAOYSA-N 0 3 408.546 2.600 50 0 HFAAHN CN(C)C[C@@H](CNC(=O)Nc1ccccc1N1CCCC1=O)[C@H](O)c1ccccc1 ZINC000040104185 571164972 /nfs/dbraw/zinc/16/49/72/571164972.db2.gz WDWHNWKKIORFPD-XMSQKQJNSA-N 0 3 410.518 2.846 50 0 HFAAHN CCN1CCN(Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)CC1 ZINC000040107976 571167836 /nfs/dbraw/zinc/16/78/36/571167836.db2.gz QUKWVNXNIAZLJM-GDLZYMKVSA-N 0 3 413.587 2.633 50 0 HFAAHN CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000040130754 571182566 /nfs/dbraw/zinc/18/25/66/571182566.db2.gz IPVMWPQNXDLMAG-LJQANCHMSA-N 0 3 415.582 2.941 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)c1cn(C2CC2)c2c(cc(F)c(F)c2OC)c1=O ZINC000009048200 571215877 /nfs/dbraw/zinc/21/58/77/571215877.db2.gz SDWPSAAWQSGXEG-CYBMUJFWSA-N 0 3 405.445 2.837 50 0 HFAAHN CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000010283342 571299331 /nfs/dbraw/zinc/29/93/31/571299331.db2.gz IMIJDYZVABBJJH-UHFFFAOYSA-N 0 3 401.532 2.511 50 0 HFAAHN CN(C)CCNC(=O)c1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1 ZINC000034684423 571316392 /nfs/dbraw/zinc/31/63/92/571316392.db2.gz VPZZKSLKSXILHY-UHFFFAOYSA-N 0 3 400.954 2.954 50 0 HFAAHN CN1CCN(c2ccc(C(=O)N[C@@H]3CCCN(C4Cc5ccccc5C4)C3)cc2)CC1 ZINC000012437547 132359967 /nfs/dbraw/zinc/35/99/67/132359967.db2.gz GBFZFUHGTVCVGS-HSZRJFAPSA-N 0 3 418.585 2.800 50 0 HFAAHN c1csc(CNc2nc3nonc3nc2N2CCC(N3CCSCC3)CC2)c1 ZINC000012759011 132366733 /nfs/dbraw/zinc/36/67/33/132366733.db2.gz GKCPAMFGMZFLKL-UHFFFAOYSA-N 0 3 417.564 2.704 50 0 HFAAHN CN(C)CCNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Br ZINC000032593897 521789192 /nfs/dbraw/zinc/78/91/92/521789192.db2.gz QTQJCVXMVUKXKU-UHFFFAOYSA-N 0 3 413.316 2.962 50 0 HFAAHN Cc1ccc(CN2CC[C@H](CNC(=O)Cn3c4ccccc4nc(C)c3=O)C2)cc1 ZINC000032974636 524470014 /nfs/dbraw/zinc/47/00/14/524470014.db2.gz VDKJRIDVRCHYPV-HXUWFJFHSA-N 0 3 404.514 2.652 50 0 HFAAHN Cc1ccccc1N(CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)S(C)(=O)=O ZINC000040162017 525217234 /nfs/dbraw/zinc/21/72/34/525217234.db2.gz OJFMXMGDDAYBJH-NRFANRHFSA-N 0 3 415.559 2.714 50 0 HFAAHN CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000004726540 557587500 /nfs/dbraw/zinc/58/75/00/557587500.db2.gz IOZNYFFOOLOPHF-OAQYLSRUSA-N 0 3 421.497 2.612 50 0 HFAAHN O=C(NCCCN1CCCC[C@H]1CO)c1cc(COc2ccc3ncccc3c2)on1 ZINC000011668043 558269819 /nfs/dbraw/zinc/26/98/19/558269819.db2.gz PUPQCGIIOQSRRZ-SFHVURJKSA-N 0 3 424.501 2.769 50 0 HFAAHN COc1ccc(CNCc2cnn(C)c2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000011709711 558271180 /nfs/dbraw/zinc/27/11/80/558271180.db2.gz CYVWIBKRTRKKHH-QFIPXVFZSA-N 0 3 424.545 2.590 50 0 HFAAHN CCOc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cc1 ZINC000011813208 558278018 /nfs/dbraw/zinc/27/80/18/558278018.db2.gz IHIYLARYSIQVOG-NHCUHLMSSA-N 0 3 402.535 2.894 50 0 HFAAHN O=C(NCCc1nnc2n1CCN(CCCc1ccccc1)CC2)c1ccc(F)cc1 ZINC000011814353 558278773 /nfs/dbraw/zinc/27/87/73/558278773.db2.gz VPULVTDKQCTLKI-UHFFFAOYSA-N 0 3 421.520 2.881 50 0 HFAAHN COc1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000011866000 558289954 /nfs/dbraw/zinc/28/99/54/558289954.db2.gz HWLNIOKMHRFYQW-IBGZPJMESA-N 0 3 407.514 2.829 50 0 HFAAHN COCCCN1C(=O)C(CC(=O)Nc2cccc(OC)c2)n2c3ccccc3nc21 ZINC000020103414 558332590 /nfs/dbraw/zinc/33/25/90/558332590.db2.gz RVGHOZYAZDZZFW-IBGZPJMESA-N 0 3 408.458 2.998 50 0 HFAAHN COc1cc(C(=O)NCc2cn3nc(C)sc3n2)ccc1OC1CCN(C)CC1 ZINC000012207903 558353305 /nfs/dbraw/zinc/35/33/05/558353305.db2.gz YYYDVQLYBDAJHW-UHFFFAOYSA-N 0 3 415.519 2.511 50 0 HFAAHN CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccc(C)o3)c2)CC1 ZINC000020351652 558356684 /nfs/dbraw/zinc/35/66/84/558356684.db2.gz XUQGBLOZXXSHBD-NRFANRHFSA-N 0 3 401.551 2.597 50 0 HFAAHN COc1ccc(-c2n[nH]cc2CN2CCC[C@H](CN3CCOCC3)C2)c(OC)c1 ZINC000012432253 558406678 /nfs/dbraw/zinc/40/66/78/558406678.db2.gz ZGQQETLZBJLLTI-QGZVFWFLSA-N 0 3 400.523 2.638 50 0 HFAAHN COCCN1CCC[C@@H](CNC(=O)c2cc(COc3c(C)cccc3C)on2)C1 ZINC000012457170 558417784 /nfs/dbraw/zinc/41/77/84/558417784.db2.gz AZNZAYCJYPGXGQ-SFHVURJKSA-N 0 3 401.507 2.959 50 0 HFAAHN Cc1ccc(C)c(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1 ZINC000020905781 558420737 /nfs/dbraw/zinc/42/07/37/558420737.db2.gz AMUWAVNCUGJBRX-SFHVURJKSA-N 0 3 404.518 2.839 50 0 HFAAHN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(C)ccc2C)CC3)o1 ZINC000020906666 558421052 /nfs/dbraw/zinc/42/10/52/558421052.db2.gz GGJBZVNPGOSMOR-UHFFFAOYSA-N 0 3 423.517 2.623 50 0 HFAAHN Cc1cc(C)c(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1C ZINC000020910045 558421952 /nfs/dbraw/zinc/42/19/52/558421952.db2.gz ALRQIXCJEXXWHI-FQEVSTJZSA-N 0 3 419.595 2.508 50 0 HFAAHN Cc1cccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)c1 ZINC000020997377 558427153 /nfs/dbraw/zinc/42/71/53/558427153.db2.gz AABUPYYWHJKQFD-IBGZPJMESA-N 0 3 419.529 2.901 50 0 HFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000021795222 558449498 /nfs/dbraw/zinc/44/94/98/558449498.db2.gz JQCSJXIZPKEDHS-UHFFFAOYSA-N 0 3 416.913 2.629 50 0 HFAAHN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc3cccnc31)CC2 ZINC000023339836 558550661 /nfs/dbraw/zinc/55/06/61/558550661.db2.gz PXAYODPQMFZOTF-INIZCTEOSA-N 0 3 416.485 2.969 50 0 HFAAHN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@@H](NCc3ccc(Cl)cc3)C[C@@H]12 ZINC000014540886 558659972 /nfs/dbraw/zinc/65/99/72/558659972.db2.gz XLWSNHUJZGHVNO-YYWHXJBOSA-N 0 3 422.916 2.622 50 0 HFAAHN CCn1c2ccccc2n(CC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1=O ZINC000014701790 558664129 /nfs/dbraw/zinc/66/41/29/558664129.db2.gz BWYWUIPJZXCFCZ-QFIPXVFZSA-N 0 3 422.529 2.785 50 0 HFAAHN COc1cccc(CN[C@@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)c1OC ZINC000014741533 558667128 /nfs/dbraw/zinc/66/71/28/558667128.db2.gz HBAKULJGKXYAFZ-QGZVFWFLSA-N 0 3 412.534 2.711 50 0 HFAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc(F)cc1F)C2 ZINC000014743569 558668095 /nfs/dbraw/zinc/66/80/95/558668095.db2.gz ZCKCNRCEJPTPSL-HNNXBMFYSA-N 0 3 406.502 2.534 50 0 HFAAHN COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1 ZINC000014887268 558677874 /nfs/dbraw/zinc/67/78/74/558677874.db2.gz SIUINDDBPKQYEM-WOJBJXKFSA-N 0 3 418.534 2.513 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000015062890 558705700 /nfs/dbraw/zinc/70/57/00/558705700.db2.gz REVLEAQCELZTKU-SFHVURJKSA-N 0 3 411.550 2.796 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000034916410 558787540 /nfs/dbraw/zinc/78/75/40/558787540.db2.gz OENBOLKSHYLHKK-HXUWFJFHSA-N 0 3 409.505 2.955 50 0 HFAAHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H](c2ccccc2)N(C)C)C(C)C)cc1 ZINC000016599320 558796434 /nfs/dbraw/zinc/79/64/34/558796434.db2.gz PUPJYSSKEZZIHI-RTWAWAEBSA-N 0 3 417.575 2.717 50 0 HFAAHN O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NCCN1CCCCC1 ZINC000032995285 558809723 /nfs/dbraw/zinc/80/97/23/558809723.db2.gz FFKLVFQLUPMRHO-UHFFFAOYSA-N 0 3 401.536 2.715 50 0 HFAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc(NC(C)=O)cc4)C3=O)c2c1 ZINC000018088224 558830943 /nfs/dbraw/zinc/83/09/43/558830943.db2.gz XZPUAAXUNKTWKV-NRFANRHFSA-N 0 3 420.469 2.599 50 0 HFAAHN Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@@H]43)n2)cc1 ZINC000004594092 558831895 /nfs/dbraw/zinc/83/18/95/558831895.db2.gz TZMMNMNLKAIQRX-CTNGQTDRSA-N 0 3 402.502 2.791 50 0 HFAAHN NC(=O)c1cc(Cl)ccc1OCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000011115470 558836907 /nfs/dbraw/zinc/83/69/07/558836907.db2.gz FOPRCTUGFIINEM-UHFFFAOYSA-N 0 3 401.894 2.599 50 0 HFAAHN Cc1nnc(SCCNCc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)s1 ZINC000019113469 558841930 /nfs/dbraw/zinc/84/19/30/558841930.db2.gz JZKXZSUMJBIEJW-UHFFFAOYSA-N 0 3 410.956 2.731 50 0 HFAAHN CC(C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000071957196 558847326 /nfs/dbraw/zinc/84/73/26/558847326.db2.gz SPEKDUVULOSRPX-IINYFYTJSA-N 0 3 407.319 2.746 50 0 HFAAHN CN(Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1)Cc1cccc(Cl)c1 ZINC000019222756 558852195 /nfs/dbraw/zinc/85/21/95/558852195.db2.gz LLZFSLKGSYJBTQ-JOCHJYFZSA-N 0 3 417.981 2.959 50 0 HFAAHN O=C(NCCCN1CCN(c2ccccc2)CC1)C1CCN(c2ccncc2)CC1 ZINC000033129028 558882644 /nfs/dbraw/zinc/88/26/44/558882644.db2.gz OPSNWABRGUGRCA-UHFFFAOYSA-N 0 3 407.562 2.627 50 0 HFAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCc4cccnc4)c(C)c32)CC1 ZINC000033048387 558885606 /nfs/dbraw/zinc/88/56/06/558885606.db2.gz VAUKBHZYLZEYFL-UHFFFAOYSA-N 0 3 410.547 2.857 50 0 HFAAHN O[C@@H]1CN(c2ccc(Cl)cn2)CC[C@H]1N1CCN(CCc2ccccc2)CC1 ZINC000071751974 558909419 /nfs/dbraw/zinc/90/94/19/558909419.db2.gz KVMJRUWFYWUMGT-NHCUHLMSSA-N 0 3 400.954 2.535 50 0 HFAAHN CN(c1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1)S(C)(=O)=O ZINC000065362456 558973179 /nfs/dbraw/zinc/97/31/79/558973179.db2.gz QUSMKOFYLQPUOR-UHFFFAOYSA-N 0 3 417.531 2.808 50 0 HFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)n1 ZINC000067613026 558988980 /nfs/dbraw/zinc/98/89/80/558988980.db2.gz ACTAZKWWJKYQOW-UHFFFAOYSA-N 0 3 417.513 2.737 50 0 HFAAHN CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000067622241 558989852 /nfs/dbraw/zinc/98/98/52/558989852.db2.gz FMBQONHBUIVOLD-UHFFFAOYSA-N 0 3 413.971 2.729 50 0 HFAAHN CN1CCN([C@H]2CCN(Cc3c(F)ccc(Cl)c3F)C[C@H]2CCCO)CC1 ZINC000091694795 559073135 /nfs/dbraw/zinc/07/31/35/559073135.db2.gz YEGYREJSKPAUCR-BEFAXECRSA-N 0 3 401.929 2.829 50 0 HFAAHN COc1cccc(OCCN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1 ZINC000091694202 559073139 /nfs/dbraw/zinc/07/31/39/559073139.db2.gz KKLZYKSMLQNVCW-NRFANRHFSA-N 0 3 402.535 2.958 50 0 HFAAHN Cc1nnnn1-c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1 ZINC000092078975 559075429 /nfs/dbraw/zinc/07/54/29/559075429.db2.gz LURYKWTVXAZBGM-DENIHFKCSA-N 0 3 402.502 2.707 50 0 HFAAHN COc1ccc(CN(C)Cc2c(C)noc2C)c(OC[C@@H](O)CN2CCCC2)c1 ZINC000095509239 559083640 /nfs/dbraw/zinc/08/36/40/559083640.db2.gz WDSVIAFTVSIUAM-IBGZPJMESA-N 0 3 403.523 2.768 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000095527729 559086260 /nfs/dbraw/zinc/08/62/60/559086260.db2.gz HWMBCWHHUXCALQ-OAQYLSRUSA-N 0 3 400.567 2.989 50 0 HFAAHN O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCCCN3CCCCC3)ccc21 ZINC000004971546 559220564 /nfs/dbraw/zinc/22/05/64/559220564.db2.gz QULFVCAVNBPHFU-UHFFFAOYSA-N 0 3 405.564 2.530 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)CCc2ccncc2)CC1 ZINC000011817132 559260528 /nfs/dbraw/zinc/26/05/28/559260528.db2.gz ODCBJGZBAGWWLC-OAQYLSRUSA-N 0 3 400.567 2.634 50 0 HFAAHN O=C(Nc1ccccc1Cl)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000061719450 560536091 /nfs/dbraw/zinc/53/60/91/560536091.db2.gz SMOVIZOJCUNHNN-CYBMUJFWSA-N 0 3 424.844 2.952 50 0 HFAAHN O=S(=O)(c1ccc(CNCc2ccc(OC(F)F)cc2)cc1)N1CCOCC1 ZINC000017317390 560708816 /nfs/dbraw/zinc/70/88/16/560708816.db2.gz FGBDAIBPWYZNLH-UHFFFAOYSA-N 0 3 412.458 2.599 50 0 HFAAHN CN(C)C[C@@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)[C@@H](O)c1ccccc1 ZINC000047791042 568431234 /nfs/dbraw/zinc/43/12/34/568431234.db2.gz VVTIHQNPKPWGNT-WBVHZDCISA-N 0 3 412.519 2.633 50 0 HFAAHN Cc1ccc(CN2CCc3ncn(CC(=O)NCc4ccc(F)cc4)c(=O)c3C2)cc1 ZINC000049400908 568447655 /nfs/dbraw/zinc/44/76/55/568447655.db2.gz BNSPXWQMOKHZKW-UHFFFAOYSA-N 0 3 420.488 2.566 50 0 HFAAHN COc1ccc2c(ccn2CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000095351185 568601094 /nfs/dbraw/zinc/60/10/94/568601094.db2.gz IHQSVGYLSKZUJX-UHFFFAOYSA-N 0 3 407.514 2.923 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3ccccc3C)o2)CC1 ZINC000020514649 568622595 /nfs/dbraw/zinc/62/25/95/568622595.db2.gz OGSJYMQOSOGLAL-GDLZYMKVSA-N 0 3 417.575 2.653 50 0 HFAAHN CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCN3CCCC3)CC2)c2ccccc2O1 ZINC000020902402 568650316 /nfs/dbraw/zinc/65/03/16/568650316.db2.gz HFTSHMNSMZFRCA-LJQANCHMSA-N 0 3 414.550 2.708 50 0 HFAAHN CC(C)[C@@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000095973194 568672165 /nfs/dbraw/zinc/67/21/65/568672165.db2.gz ZXZVQPKQZOOLEO-CQSZACIVSA-N 0 3 405.503 2.789 50 0 HFAAHN CC(C)[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2nc[n-]n2)no1 ZINC000095973194 568672167 /nfs/dbraw/zinc/67/21/67/568672167.db2.gz ZXZVQPKQZOOLEO-CQSZACIVSA-N 0 3 405.503 2.789 50 0 HFAAHN CCOC(=O)c1ncc(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)s1 ZINC000225800587 568675562 /nfs/dbraw/zinc/67/55/62/568675562.db2.gz WNGYAFOPLFIJKS-UHFFFAOYSA-N 0 3 402.520 2.710 50 0 HFAAHN CC(C)[C@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000057473960 568839297 /nfs/dbraw/zinc/83/92/97/568839297.db2.gz KZCUHDGEUMRIEH-ICSRJNTNSA-N 0 3 401.894 2.906 50 0 HFAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1OC(F)F ZINC000670444508 568904833 /nfs/dbraw/zinc/90/48/33/568904833.db2.gz YTYVHOQJJWTENG-UKAYHFCDSA-N 0 3 413.468 2.585 50 0 HFAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1csc2c1CCCC2 ZINC000670448456 568919637 /nfs/dbraw/zinc/91/96/37/568919637.db2.gz XIFGDCMSROANBA-XAHYOPIXSA-N 0 3 407.583 2.924 50 0 HFAAHN O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012790431 568968027 /nfs/dbraw/zinc/96/80/27/568968027.db2.gz SPLNSQNMEMVZNR-UHFFFAOYSA-N 0 3 412.534 2.797 50 0 HFAAHN C[NH+](C)Cc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C3CC3)c2)cc1 ZINC000008133055 568976177 /nfs/dbraw/zinc/97/61/77/568976177.db2.gz ZZYSJHDDZMJWOU-UHFFFAOYSA-N 0 3 421.950 2.772 50 0 HFAAHN CCCN1CCN(c2ncc3c(n2)CCN(Cc2cccc(OC)c2OC)C3)CC1 ZINC000015779523 569002020 /nfs/dbraw/zinc/00/20/20/569002020.db2.gz JBLGNUAWDOAUMU-UHFFFAOYSA-N 0 3 411.550 2.584 50 0 HFAAHN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 ZINC000036314008 569133878 /nfs/dbraw/zinc/13/38/78/569133878.db2.gz RYUXICPEQWZTBL-FQEVSTJZSA-N 0 3 415.534 2.788 50 0 HFAAHN CCCCN(C)C(=O)c1cc(NC(=O)c2cccs2)cnc1N1CCNCC1 ZINC000065025396 569156364 /nfs/dbraw/zinc/15/63/64/569156364.db2.gz YJIPPSADRZXKHP-UHFFFAOYSA-N 0 3 401.536 2.677 50 0 HFAAHN Cc1nc(-c2cccnc2N2CCC(C(=O)NCCN3CCCC[C@H]3C)CC2)no1 ZINC000065227638 569200476 /nfs/dbraw/zinc/20/04/76/569200476.db2.gz YUUPSORQDHRPGQ-MRXNPFEDSA-N 0 3 412.538 2.647 50 0 HFAAHN CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCCN3CC)C2)ncn1 ZINC000065242443 569204705 /nfs/dbraw/zinc/20/47/05/569204705.db2.gz DBTVTGAUTCUXIL-OALUTQOASA-N 0 3 402.587 2.896 50 0 HFAAHN CCCCN1CCN(C(=O)CC[C@H]2CCCN(c3cc(NCC)ncn3)C2)CC1 ZINC000065245073 569204922 /nfs/dbraw/zinc/20/49/22/569204922.db2.gz IMXXDIDCBXPRNX-LJQANCHMSA-N 0 3 402.587 2.849 50 0 HFAAHN O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)NCCCN1CCc2ccccc2C1 ZINC000065255670 569207900 /nfs/dbraw/zinc/20/79/00/569207900.db2.gz SSYKCOKTZFJSEP-UHFFFAOYSA-N 0 3 409.461 2.812 50 0 HFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000252430818 569285475 /nfs/dbraw/zinc/28/54/75/569285475.db2.gz LYLUJBCWPARIDH-TZIWHRDSSA-N 0 3 402.502 2.791 50 0 HFAAHN CC(C)CC(=O)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819741 569320781 /nfs/dbraw/zinc/32/07/81/569320781.db2.gz GTLXNJRJDSULMK-HXUWFJFHSA-N 0 3 400.567 2.790 50 0 HFAAHN CCN1CCN(CCNC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)CC1 ZINC000065025775 569363768 /nfs/dbraw/zinc/36/37/68/569363768.db2.gz RKGNZTKFSFEXKF-UHFFFAOYSA-N 0 3 422.577 2.501 50 0 HFAAHN O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCCCC1)N1CCCC1 ZINC000008661792 571099630 /nfs/dbraw/zinc/09/96/30/571099630.db2.gz SIRVGBASKSCWFV-UHFFFAOYSA-N 0 3 414.575 2.987 50 0 HFAAHN COCCN(C[C@@H]1CN(Cc2ccco2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000245343463 571226176 /nfs/dbraw/zinc/22/61/76/571226176.db2.gz PLVKDHZHXBTYPY-RXVVDRJESA-N 0 3 404.482 2.756 50 0 HFAAHN COC(=O)c1ccc(CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 ZINC000077100636 571311391 /nfs/dbraw/zinc/31/13/91/571311391.db2.gz IFQUOPPGDCNVSP-UHFFFAOYSA-N 0 3 406.486 2.737 50 0 HFAAHN O=C(CCC(=O)N1CCOc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000006798475 132317281 /nfs/dbraw/zinc/31/72/81/132317281.db2.gz BCFTUYNDSLGGCO-UHFFFAOYSA-N 0 3 407.514 2.973 50 0 HFAAHN Cc1ccccc1CN1CCC(NC(=O)Cn2cc(Br)ccc2=O)CC1 ZINC000053968378 525137178 /nfs/dbraw/zinc/13/71/78/525137178.db2.gz TUAUBLJBTWOMDQ-UHFFFAOYSA-N 0 3 418.335 2.700 50 0 HFAAHN O=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000040266450 527414117 /nfs/dbraw/zinc/41/41/17/527414117.db2.gz IOWGFAIXCUGVPD-UHFFFAOYSA-N 0 3 402.498 2.691 50 0 HFAAHN CCN1C[C@@H](CN(C)C[C@H](O)COCc2ccccc2OC)Oc2ccccc21 ZINC000034884238 557479656 /nfs/dbraw/zinc/47/96/56/557479656.db2.gz YEQGQCMFKSOJFV-VQTJNVASSA-N 0 3 400.519 2.792 50 0 HFAAHN Cc1ccc([C@@H](C)CCN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)o1 ZINC000011868272 558290046 /nfs/dbraw/zinc/29/00/46/558290046.db2.gz JMRZWNUUYJBBMM-INIZCTEOSA-N 0 3 408.506 2.556 50 0 HFAAHN Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCC(N2CCNC(=O)CC2)CC1 ZINC000011874813 558292358 /nfs/dbraw/zinc/29/23/58/558292358.db2.gz XINYGZDMTLUOMN-UHFFFAOYSA-N 0 3 404.461 2.715 50 0 HFAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCc1cnn(C)c1 ZINC000019840823 558294010 /nfs/dbraw/zinc/29/40/10/558294010.db2.gz LNTOXGVKCJXKLP-UHFFFAOYSA-N 0 3 402.502 2.672 50 0 HFAAHN CCOc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000019848155 558294853 /nfs/dbraw/zinc/29/48/53/558294853.db2.gz RHXGUBKZDSTYRW-LJQANCHMSA-N 0 3 412.486 2.957 50 0 HFAAHN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000012158598 558341210 /nfs/dbraw/zinc/34/12/10/558341210.db2.gz UNDQUIIHOURTIB-OAHLLOKOSA-N 0 3 413.547 2.765 50 0 HFAAHN O=C1NCCN1c1ccc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020207225 558346879 /nfs/dbraw/zinc/34/68/79/558346879.db2.gz RJDOYZNLSAFNHC-DEOSSOPVSA-N 0 3 422.573 2.718 50 0 HFAAHN CN1Cc2ccccc2C[C@@H]1CNCc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000020364080 558358461 /nfs/dbraw/zinc/35/84/61/558358461.db2.gz BHRNUPTYGZIEPY-HXUWFJFHSA-N 0 3 403.530 2.717 50 0 HFAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000012430281 558405047 /nfs/dbraw/zinc/40/50/47/558405047.db2.gz GJJWYPZXPFCRFZ-KRWDZBQOSA-N 0 3 407.522 2.660 50 0 HFAAHN COc1ccc(CNC[C@H](O)COc2ccc3c(C)c(C)c(=O)oc3c2)cc1OC ZINC000020728265 558405414 /nfs/dbraw/zinc/40/54/14/558405414.db2.gz JGYPETXGAOMZJK-KRWDZBQOSA-N 0 3 413.470 2.957 50 0 HFAAHN CCN1CCC[C@@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2Cc2ccccc2)C1 ZINC000012433865 558407811 /nfs/dbraw/zinc/40/78/11/558407811.db2.gz FOOOMQOSADHZGM-FQEVSTJZSA-N 0 3 418.607 2.889 50 0 HFAAHN CSc1ncc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cn1 ZINC000012457924 558418022 /nfs/dbraw/zinc/41/80/22/558418022.db2.gz OJXOXMOMKUYOAJ-QGZVFWFLSA-N 0 3 405.612 2.743 50 0 HFAAHN Cc1ccc(C)c(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 ZINC000020993151 558426289 /nfs/dbraw/zinc/42/62/89/558426289.db2.gz NFFSAXHSJCXTSZ-UHFFFAOYSA-N 0 3 403.530 2.812 50 0 HFAAHN Cc1nn(CC(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)c(=O)c2ccccc12 ZINC000012580201 558432321 /nfs/dbraw/zinc/43/23/21/558432321.db2.gz QMDOLBOZNPUDRK-OAQYLSRUSA-N 0 3 418.541 2.918 50 0 HFAAHN Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c(C)c1 ZINC000023128711 558536368 /nfs/dbraw/zinc/53/63/68/558536368.db2.gz BYZFRZZJDMMFSM-UHFFFAOYSA-N 0 3 403.530 2.812 50 0 HFAAHN COc1ccc([C@H](CNC(=O)CCCn2c(C)csc2=O)N2CCCC2)cc1 ZINC000023487382 558559999 /nfs/dbraw/zinc/55/99/99/558559999.db2.gz DZYOTSXMZWPTPQ-IBGZPJMESA-N 0 3 403.548 2.960 50 0 HFAAHN CCN(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000024688129 558607622 /nfs/dbraw/zinc/60/76/22/558607622.db2.gz HZYLTKBZUXPAGW-SFHVURJKSA-N 0 3 404.532 2.689 50 0 HFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccccc1F)C2 ZINC000014539738 558659381 /nfs/dbraw/zinc/65/93/81/558659381.db2.gz FBUKSXSHFGPGLH-SFHVURJKSA-N 0 3 414.525 2.798 50 0 HFAAHN COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4ccc(O)cc4)CC3)C2=O)cc1 ZINC000014750863 558670880 /nfs/dbraw/zinc/67/08/80/558670880.db2.gz XRQDWLVBNOZCPN-UHFFFAOYSA-N 0 3 409.486 2.830 50 0 HFAAHN CCOC(=O)N1CCN(C(=O)[C@H]2CC23CCN(Cc2ccc(OC)cc2)CC3)CC1 ZINC000014951280 558681282 /nfs/dbraw/zinc/68/12/82/558681282.db2.gz ZMTZEJOCEUPSFX-HXUWFJFHSA-N 0 3 415.534 2.598 50 0 HFAAHN Cc1nnsc1C(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000014961135 558684157 /nfs/dbraw/zinc/68/41/57/558684157.db2.gz DTQPCTXZTXHBSB-KRWDZBQOSA-N 0 3 419.570 2.902 50 0 HFAAHN CCc1c(C(=O)N[C@H]2CCOC(C)(C)C2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014990429 558694133 /nfs/dbraw/zinc/69/41/33/558694133.db2.gz NALBRIINZYVSDD-SFHVURJKSA-N 0 3 403.567 2.892 50 0 HFAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN1CCCCC1=O ZINC000015077250 558717162 /nfs/dbraw/zinc/71/71/62/558717162.db2.gz QPRAECNJNMVHRZ-FQEVSTJZSA-N 0 3 403.542 2.941 50 0 HFAAHN CCOc1ccc(CCN[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1OCC ZINC000004573390 558744626 /nfs/dbraw/zinc/74/46/26/558744626.db2.gz RHXGUBKZDSTYRW-IBGZPJMESA-N 0 3 412.486 2.957 50 0 HFAAHN C[C@@H]1CN(CC2CCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CC2)C[C@H](C)O1 ZINC000072306965 558766397 /nfs/dbraw/zinc/76/63/97/558766397.db2.gz VWAYSZRXUXPMPQ-CALCHBBNSA-N 0 3 409.571 2.591 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2C)CC1 ZINC000016299823 558784688 /nfs/dbraw/zinc/78/46/88/558784688.db2.gz VMEAUEQPWORQTE-UHFFFAOYSA-N 0 3 419.529 2.945 50 0 HFAAHN COCc1nnc(C(=O)Nc2ccc(C(=O)NCCN3CCCC[C@@H]3C)cc2)s1 ZINC000033032147 558856615 /nfs/dbraw/zinc/85/66/15/558856615.db2.gz JRUYSWZCFZIINB-AWEZNQCLSA-N 0 3 417.535 2.541 50 0 HFAAHN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCCCN3CCN(C)CC3)C2)s1 ZINC000033174073 558902374 /nfs/dbraw/zinc/90/23/74/558902374.db2.gz XUEZDSQLAKDWFT-SFHVURJKSA-N 0 3 415.607 2.575 50 0 HFAAHN CN(Cc1ccccc1)C[C@@H](O)Cn1cnc2ccc(Br)cc2c1=O ZINC000058162703 558906224 /nfs/dbraw/zinc/90/62/24/558906224.db2.gz LCUUMKXMAASJKA-MRXNPFEDSA-N 0 3 402.292 2.652 50 0 HFAAHN Cc1nccn1-c1cc(CNC(=O)N(CCN(C)C)Cc2ccccc2F)ccn1 ZINC000058166499 558906961 /nfs/dbraw/zinc/90/69/61/558906961.db2.gz UFMFPZBQHPVZFS-UHFFFAOYSA-N 0 3 410.497 2.988 50 0 HFAAHN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(CCCN2CCCC2=O)C1 ZINC000058179513 558910028 /nfs/dbraw/zinc/91/00/28/558910028.db2.gz IONWAIRYGPLRSG-AWEZNQCLSA-N 0 3 409.328 2.507 50 0 HFAAHN Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)CCC3CCCCC3)CC2)n1 ZINC000072437325 558980780 /nfs/dbraw/zinc/98/07/80/558980780.db2.gz JUPJJRGTGFZIOQ-UHFFFAOYSA-N 0 3 414.598 2.546 50 0 HFAAHN CCNc1cc(N2CCN(C(=O)c3ccc(Oc4ncccn4)cc3)CC2)nc(C)n1 ZINC000072437577 558980917 /nfs/dbraw/zinc/98/09/17/558980917.db2.gz VSYBDXLLPBFPQD-UHFFFAOYSA-N 0 3 419.489 2.762 50 0 HFAAHN CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000067603820 558988221 /nfs/dbraw/zinc/98/82/21/558988221.db2.gz CQMZDOGZZULIEN-UHFFFAOYSA-N 0 3 403.504 2.919 50 0 HFAAHN NCC(=O)N1CCOc2c(O)cc(-c3ncc(C(F)(F)F)cc3Cl)cc2C1 ZINC000067880501 558994482 /nfs/dbraw/zinc/99/44/82/558994482.db2.gz CZKRPRWZWDQDCT-UHFFFAOYSA-N 0 3 401.772 2.806 50 0 HFAAHN COc1ccccc1N1CCN(c2ncccc2CN[C@H](C)Cn2ccnc2)CC1 ZINC000067954369 558994948 /nfs/dbraw/zinc/99/49/48/558994948.db2.gz BPPKJCWZFARRBM-LJQANCHMSA-N 0 3 406.534 2.792 50 0 HFAAHN COc1ccc(C(=O)N[C@@H](C)c2nncn2C)cc1OC1CCN(C(C)C)CC1 ZINC000095512456 559084248 /nfs/dbraw/zinc/08/42/48/559084248.db2.gz FZJHHNLXDANHOO-HNNXBMFYSA-N 0 3 401.511 2.566 50 0 HFAAHN COCCN(C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247828688 559142482 /nfs/dbraw/zinc/14/24/82/559142482.db2.gz KICQHJRPWYLXFG-UGKGYDQZSA-N 0 3 415.509 2.558 50 0 HFAAHN O=S(=O)(NCC1CCN([C@H]2CCSC2)CC1)c1ccccc1Br ZINC000225573990 559189220 /nfs/dbraw/zinc/18/92/20/559189220.db2.gz HOQUOZXQYAGFTE-AWEZNQCLSA-N 0 3 419.410 2.945 50 0 HFAAHN Cc1c(Cl)cccc1NC(=O)CSc1nc(=O)n(CCN(C)C)c2c1CCC2 ZINC000004851722 559191254 /nfs/dbraw/zinc/19/12/54/559191254.db2.gz VCDZHKMJLXCMHA-UHFFFAOYSA-N 0 3 420.966 2.986 50 0 HFAAHN COc1ccccc1-c1cc(C(=O)NCc2ccc(N3CCCN(C)CC3)nc2)no1 ZINC000048261260 568433522 /nfs/dbraw/zinc/43/35/22/568433522.db2.gz OILVEYHAAPXXEF-UHFFFAOYSA-N 0 3 421.501 2.817 50 0 HFAAHN CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000021052351 568661022 /nfs/dbraw/zinc/66/10/22/568661022.db2.gz CGXZKJSYGZZSDM-GOSISDBHSA-N 0 3 415.625 2.822 50 0 HFAAHN CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000021052351 568661024 /nfs/dbraw/zinc/66/10/24/568661024.db2.gz CGXZKJSYGZZSDM-GOSISDBHSA-N 0 3 415.625 2.822 50 0 HFAAHN CCCN1CCN(CCCNC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000021095857 568665033 /nfs/dbraw/zinc/66/50/33/568665033.db2.gz GTYDASUIHBBDJP-UHFFFAOYSA-N 0 3 422.367 2.759 50 0 HFAAHN O=C([C@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12)N1CCN(c2ccccc2)CC1 ZINC000096286766 568671817 /nfs/dbraw/zinc/67/18/17/568671817.db2.gz KUAUPPMPBWXYTF-DZRGJMJISA-N 0 3 416.525 2.667 50 0 HFAAHN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC000096099735 568690659 /nfs/dbraw/zinc/69/06/59/568690659.db2.gz RBMLKVJCTXSGJK-GFCCVEGCSA-N 0 3 412.861 2.579 50 0 HFAAHN COC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000242106201 568732249 /nfs/dbraw/zinc/73/22/49/568732249.db2.gz WHUXZCVIWYEWKZ-KRWDZBQOSA-N 0 3 402.438 2.873 50 0 HFAAHN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CNCCc1ccccc1 ZINC000002634935 568791832 /nfs/dbraw/zinc/79/18/32/568791832.db2.gz CVSYTEZSJMUXCW-UHFFFAOYSA-N 0 3 417.531 2.706 50 0 HFAAHN CN1CCCCC[C@@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000299758157 568872825 /nfs/dbraw/zinc/87/28/25/568872825.db2.gz NZPCKZGXAJHWOL-LEWJYISDSA-N 0 3 412.578 2.634 50 0 HFAAHN CN1CCCCC[C@@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000299758159 568872953 /nfs/dbraw/zinc/87/29/53/568872953.db2.gz NZPCKZGXAJHWOL-NHCUHLMSSA-N 0 3 412.578 2.634 50 0 HFAAHN COc1ccc(OC[C@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)cc1 ZINC000001240913 568907620 /nfs/dbraw/zinc/90/76/20/568907620.db2.gz DGODGIALPBBEFJ-LJQANCHMSA-N 0 3 424.545 2.857 50 0 HFAAHN COCCn1nc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)ccc1=O ZINC000031078487 568912093 /nfs/dbraw/zinc/91/20/93/568912093.db2.gz HFSAIJQEKGJCPU-UHFFFAOYSA-N 0 3 420.513 2.548 50 0 HFAAHN Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000012742297 568929346 /nfs/dbraw/zinc/92/93/46/568929346.db2.gz XSNNJEVCOVJOGX-LJQANCHMSA-N 0 3 407.543 2.933 50 0 HFAAHN O=C(NCCN1CCCC1)C1CCN(C(=O)c2ccnc(-c3ccccc3)c2)CC1 ZINC000015864375 569016225 /nfs/dbraw/zinc/01/62/25/569016225.db2.gz RBMMXAUQQYYZMH-UHFFFAOYSA-N 0 3 406.530 2.813 50 0 HFAAHN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000016031642 569027976 /nfs/dbraw/zinc/02/79/76/569027976.db2.gz SSKZODUQLBCJAM-UGCAPWQASA-N 0 3 415.493 2.528 50 0 biogenic HFAAHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000229722345 569040598 /nfs/dbraw/zinc/04/05/98/569040598.db2.gz XEHVGTSCNJTDLS-QUCCMNQESA-N 0 3 412.486 2.564 50 0 HFAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 ZINC000090593623 569041607 /nfs/dbraw/zinc/04/16/07/569041607.db2.gz PNJDALFXKAIMQJ-LRTDBIEQSA-N 0 3 421.409 2.951 50 0 HFAAHN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@@H](C(=O)NCCN(C)C)C2 ZINC000035871802 569064165 /nfs/dbraw/zinc/06/41/65/569064165.db2.gz BVDZRQLSHKDDIU-UPVQGACJSA-N 0 3 422.573 2.549 50 0 HFAAHN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000035882977 569064603 /nfs/dbraw/zinc/06/46/03/569064603.db2.gz SSKZODUQLBCJAM-HSGJQSDISA-N 0 3 415.493 2.528 50 0 HFAAHN CCN(CC)CC(=O)N1CC[C@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2=O ZINC000426526851 569073254 /nfs/dbraw/zinc/07/32/54/569073254.db2.gz JWCIDICIMWSXBG-QFIPXVFZSA-N 0 3 405.514 2.517 50 0 HFAAHN CN(CCCNC(=O)Cn1c2ccccc2n2cccc2c1=O)Cc1ccccc1 ZINC000006782323 569120519 /nfs/dbraw/zinc/12/05/19/569120519.db2.gz IYMBRDHRZPXFSS-UHFFFAOYSA-N 0 3 402.498 2.893 50 0 HFAAHN CCOc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)NC3CC3)cs2)cc1OC ZINC000036391640 569167125 /nfs/dbraw/zinc/16/71/25/569167125.db2.gz RTQQLOCUAIPNRS-LBPRGKRZSA-N 0 3 424.544 2.799 50 0 HFAAHN CCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(CC(C)C)CC3)C2)ncn1 ZINC000065245076 569204949 /nfs/dbraw/zinc/20/49/49/569204949.db2.gz IJODZFLEPYUGJY-LJQANCHMSA-N 0 3 402.587 2.705 50 0 HFAAHN CN(CCc1ccncc1)C(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256272 569208456 /nfs/dbraw/zinc/20/84/56/569208456.db2.gz PSGWUHILUIOJQM-JOCHJYFZSA-N 0 3 401.514 2.942 50 0 HFAAHN CCCN1CCN(c2ccc(NC(=O)CCSCC(=O)OC)c(OCC)c2)CC1 ZINC000170606081 569244359 /nfs/dbraw/zinc/24/43/59/569244359.db2.gz QDKXZQDUIDAUCT-UHFFFAOYSA-N 0 3 423.579 2.852 50 0 HFAAHN CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@H](CC)CN1CC(C)(C)O ZINC000170613513 569246892 /nfs/dbraw/zinc/24/68/92/569246892.db2.gz NLYBRWCUVSFPIP-HUUCEWRRSA-N 0 3 410.946 2.917 50 0 HFAAHN CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000007849909 569314622 /nfs/dbraw/zinc/31/46/22/569314622.db2.gz UPXBYZDCPDOKGK-UHFFFAOYSA-N 0 3 415.559 2.853 50 0 HFAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)c4ccncc4)CC3)C2)CC1 ZINC000581820217 569321074 /nfs/dbraw/zinc/32/10/74/569321074.db2.gz YMGRNMJFHJGIFM-OAQYLSRUSA-N 0 3 400.567 2.509 50 0 HFAAHN Cc1c(C)c2c(OCC(=O)NCCN(C)C)cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000008765407 571115433 /nfs/dbraw/zinc/11/54/33/571115433.db2.gz OAMCSHQCWDKVNG-UHFFFAOYSA-N 0 3 402.491 2.570 50 0 biogenic HFAAHN CCN(CC)[C@@H](CNC(=O)CCn1cnc2ccccc2c1=O)c1cccc(OC)c1 ZINC000040046941 571143126 /nfs/dbraw/zinc/14/31/26/571143126.db2.gz RZBUKLCWSUXZDY-QFIPXVFZSA-N 0 3 422.529 2.995 50 0 HFAAHN CC(=O)Nc1cc(NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)ccc1F ZINC000040104597 571165401 /nfs/dbraw/zinc/16/54/01/571165401.db2.gz OYJNNSUXMXLEOI-UZLBHIALSA-N 0 3 402.470 2.817 50 0 HFAAHN CCCC[C@H]1CN(CC(=O)NC[C@H]2CCN(CCOC)C2)Cc2ccccc2O1 ZINC000244758090 571206992 /nfs/dbraw/zinc/20/69/92/571206992.db2.gz OSFLDXAZVINGPV-CTNGQTDRSA-N 0 3 403.567 2.524 50 0 HFAAHN CN(C)C[C@@H](O)COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012206532 132356818 /nfs/dbraw/zinc/35/68/18/132356818.db2.gz FETKCSYQQSCCBL-OAQYLSRUSA-N 0 3 403.954 2.964 50 0 HFAAHN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N[C@H]2CCc3ccccc32)cc1 ZINC000024760844 519733284 /nfs/dbraw/zinc/73/32/84/519733284.db2.gz LJIMMWHXSRLXIY-YWZLYKJASA-N 0 3 401.532 2.977 50 0 HFAAHN CCN1CCN(Cc2ccc(CNC(=O)C[C@@H](C)NC(=O)c3ccccc3)cc2)CC1 ZINC000032932416 521688224 /nfs/dbraw/zinc/68/82/24/521688224.db2.gz NJKWOGOLWHZPDL-HXUWFJFHSA-N 0 3 422.573 2.649 50 0 HFAAHN O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCCN(Cc2ccccc2)CC1 ZINC000032848476 526466214 /nfs/dbraw/zinc/46/62/14/526466214.db2.gz RXFSAONPANIQBO-UHFFFAOYSA-N 0 3 404.514 2.980 50 0 HFAAHN Cc1nc2ccccc2n(CC(=O)NCCN2CCC(Cc3ccccc3)CC2)c1=O ZINC000032974630 527162602 /nfs/dbraw/zinc/16/26/02/527162602.db2.gz SVPONZFCZBNJBG-UHFFFAOYSA-N 0 3 418.541 2.776 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c2c(sc1-n1cnnn1)CCC2 ZINC000040286821 527530282 /nfs/dbraw/zinc/53/02/82/527530282.db2.gz XZFKIVUSQCILPV-UHFFFAOYSA-N 0 3 408.531 2.607 50 0 HFAAHN CN(C)C[C@H](O)COc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012206538 535955092 /nfs/dbraw/zinc/95/50/92/535955092.db2.gz FETKCSYQQSCCBL-NRFANRHFSA-N 0 3 403.954 2.964 50 0 HFAAHN CCOc1ccc(N2C(=O)C[C@@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000004996558 557622666 /nfs/dbraw/zinc/62/26/66/557622666.db2.gz MXDUXOYMQRHQOL-JOCHJYFZSA-N 0 3 407.514 2.971 50 0 HFAAHN Cc1ccc2[nH]c3c(cnn(CC(=O)N(CCN(C)C)Cc4ccccc4)c3=O)c2c1 ZINC000006998188 557733132 /nfs/dbraw/zinc/73/31/32/557733132.db2.gz ZFGOQWOSSZGDGP-UHFFFAOYSA-N 0 3 417.513 2.777 50 0 HFAAHN COc1cc(Cl)cc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)c1OC ZINC000011820891 558284192 /nfs/dbraw/zinc/28/41/92/558284192.db2.gz DIFCZOQIDKDBRL-WOJBJXKFSA-N 0 3 419.953 2.862 50 0 HFAAHN CCN(Cc1ccncc1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000011936840 558300831 /nfs/dbraw/zinc/30/08/31/558300831.db2.gz MUUAUYBXLYIADO-OAQYLSRUSA-N 0 3 401.576 2.892 50 0 HFAAHN COc1cccc(CN2C[C@@H](C(=O)N3CCCN(C4CCCC4)CC3)CCC2=O)c1 ZINC000020211684 558347890 /nfs/dbraw/zinc/34/78/90/558347890.db2.gz YFINRDRUBLJPIN-FQEVSTJZSA-N 0 3 413.562 2.911 50 0 HFAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1nonc1C ZINC000012229030 558357606 /nfs/dbraw/zinc/35/76/06/558357606.db2.gz MICPVXUWHFYADW-IBGZPJMESA-N 0 3 400.523 2.732 50 0 HFAAHN O=C(CCC1CCN(Cc2cccn2-c2ncccn2)CC1)NCc1cccnc1 ZINC000012448289 558415409 /nfs/dbraw/zinc/41/54/09/558415409.db2.gz HVIVQMAYKGSYMW-UHFFFAOYSA-N 0 3 404.518 2.971 50 0 HFAAHN Cc1nonc1CN(C)Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000012458952 558418468 /nfs/dbraw/zinc/41/84/68/558418468.db2.gz AWVTXLOXKHJSJW-OAQYLSRUSA-N 0 3 410.518 2.882 50 0 HFAAHN Cc1c(NC(=O)[C@@H](C)NC[C@@H](c2ccccc2)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000022037815 558459306 /nfs/dbraw/zinc/45/93/06/558459306.db2.gz BGLFCARUUVLGSQ-UTKZUKDTSA-N 0 3 421.545 2.704 50 0 HFAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)C1CCOCC1 ZINC000012757271 558460392 /nfs/dbraw/zinc/46/03/92/558460392.db2.gz STHUBCTYYWVXCV-UHFFFAOYSA-N 0 3 404.551 2.809 50 0 HFAAHN CCOC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000004384659 558482245 /nfs/dbraw/zinc/48/22/45/558482245.db2.gz JGJYVIGWLAJVFX-LAPQFRIASA-N 0 3 415.490 2.564 50 0 HFAAHN CCc1ccc([C@H](CNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)N(C)C)cc1 ZINC000022798731 558512401 /nfs/dbraw/zinc/51/24/01/558512401.db2.gz BXKLJFVCDJZMLG-IRLDBZIGSA-N 0 3 418.607 2.814 50 0 HFAAHN CC(=O)c1cccc(OC[C@@H](O)CN[C@H](CN2CCOCC2)c2ccc(C)cc2)c1 ZINC000022929704 558523728 /nfs/dbraw/zinc/52/37/28/558523728.db2.gz IYLAVAHZJRLPOM-LADGPHEKSA-N 0 3 412.530 2.600 50 0 HFAAHN O=C(NCCN1CCCCCC1)c1cnn2c1nccc2-c1ccc2c(c1)OCO2 ZINC000065026741 558593184 /nfs/dbraw/zinc/59/31/84/558593184.db2.gz LYKFNSGOTOKZHW-UHFFFAOYSA-N 0 3 407.474 2.731 50 0 HFAAHN CC(C)[C@H](NCC(=O)N1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000014124055 558622677 /nfs/dbraw/zinc/62/26/77/558622677.db2.gz PULZWGVOHFKJBB-DEOSSOPVSA-N 0 3 424.545 2.878 50 0 HFAAHN CN(C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000014247242 558648241 /nfs/dbraw/zinc/64/82/41/558648241.db2.gz XIJMXKJYTBICHY-JOCHJYFZSA-N 0 3 411.521 2.967 50 0 HFAAHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cccc(F)c1)C2 ZINC000014541088 558659883 /nfs/dbraw/zinc/65/98/83/558659883.db2.gz UOWLCUITRYTDKO-KRWDZBQOSA-N 0 3 402.539 2.878 50 0 HFAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cccc(F)c1F)C2 ZINC000014741513 558667251 /nfs/dbraw/zinc/66/72/51/558667251.db2.gz XTOQZNWFSOCCGW-AWEZNQCLSA-N 0 3 406.502 2.534 50 0 HFAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN([C@@H](C)CSC)CC2)C1=O ZINC000014744969 558668740 /nfs/dbraw/zinc/66/87/40/558668740.db2.gz JBQUZMOOIDYAJW-SFHVURJKSA-N 0 3 419.591 2.726 50 0 HFAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014755652 558671998 /nfs/dbraw/zinc/67/19/98/558671998.db2.gz SCADDPOZGJXHBF-UHFFFAOYSA-N 0 3 408.502 2.527 50 0 HFAAHN CN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCCN12 ZINC000014944833 558679813 /nfs/dbraw/zinc/67/98/13/558679813.db2.gz INAWKYYRGFLTDR-VKDGWMQASA-N 0 3 401.466 2.532 50 0 HFAAHN CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C(=O)c1ccccc1 ZINC000014959569 558683606 /nfs/dbraw/zinc/68/36/06/558683606.db2.gz ITJMJRGNTMGKJH-JOCHJYFZSA-N 0 3 415.578 2.541 50 0 HFAAHN CN(C)S(=O)(=O)c1ccc(NC(=O)CCN2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000028852745 558706210 /nfs/dbraw/zinc/70/62/10/558706210.db2.gz STGQPBRPCXQOBB-ZDUSSCGKSA-N 0 3 407.458 2.540 50 0 HFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN1CCCCC1=O ZINC000015077247 558717088 /nfs/dbraw/zinc/71/70/88/558717088.db2.gz QPRAECNJNMVHRZ-HXUWFJFHSA-N 0 3 403.542 2.941 50 0 HFAAHN CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000033318542 558766296 /nfs/dbraw/zinc/76/62/96/558766296.db2.gz PUSXTAFPTROIGV-UHFFFAOYSA-N 0 3 410.522 2.538 50 0 HFAAHN NC(=O)c1ccc(CN2CCN(Cc3ccc(C(N)=O)cc3)C3(CCCCC3)C2)cc1 ZINC000072308690 558769883 /nfs/dbraw/zinc/76/98/83/558769883.db2.gz HSUJFNDEJFKPDT-UHFFFAOYSA-N 0 3 420.557 2.905 50 0 HFAAHN Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(Cl)c1 ZINC000036708105 558801207 /nfs/dbraw/zinc/80/12/07/558801207.db2.gz ABBKHWLSXJBXAQ-UHFFFAOYSA-N 0 3 404.902 2.817 50 0 HFAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4cc(OC)cc(OC)c4)C3=O)c2c1 ZINC000018088229 558830947 /nfs/dbraw/zinc/83/09/47/558830947.db2.gz DIUKIFIMAAJMSG-OAQYLSRUSA-N 0 3 423.469 2.658 50 0 HFAAHN CC(C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000071957199 558847402 /nfs/dbraw/zinc/84/74/02/558847402.db2.gz SPEKDUVULOSRPX-YGRLFVJLSA-N 0 3 407.319 2.746 50 0 HFAAHN COCc1nnc(C(=O)Nc2ccc(C(=O)NCCN3CCCC[C@H]3C)cc2)s1 ZINC000033032149 558856643 /nfs/dbraw/zinc/85/66/43/558856643.db2.gz JRUYSWZCFZIINB-CQSZACIVSA-N 0 3 417.535 2.541 50 0 HFAAHN Cc1cc2nc(C)c(=O)n(CC(=O)NCCCN(C)Cc3ccccc3)c2cc1C ZINC000033254812 558921215 /nfs/dbraw/zinc/92/12/15/558921215.db2.gz OIKHLPXNBUDLOO-UHFFFAOYSA-N 0 3 406.530 2.960 50 0 HFAAHN Cc1sc2nc(CS[C@H](C)C(=O)N3CCC[C@@H](N(C)C)C3)[nH]c(=O)c2c1C ZINC000097000957 558987619 /nfs/dbraw/zinc/98/76/19/558987619.db2.gz IUOHSNOJCPKUSI-ZIAGYGMSSA-N 0 3 408.593 2.776 50 0 HFAAHN O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000097138914 558996717 /nfs/dbraw/zinc/99/67/17/558996717.db2.gz DSROKZMCLQNTQA-UHFFFAOYSA-N 0 3 424.520 2.844 50 0 HFAAHN O=S(=O)(NCC1CCN(Cc2cccs2)CC1)c1ccc2c(c1)OCCO2 ZINC000023127713 559015983 /nfs/dbraw/zinc/01/59/83/559015983.db2.gz ZJBFTLXTVOZMIX-UHFFFAOYSA-N 0 3 408.545 2.710 50 0 HFAAHN CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000023127550 559016007 /nfs/dbraw/zinc/01/60/07/559016007.db2.gz FEUWJYNZXDYQIA-UHFFFAOYSA-N 0 3 414.531 2.673 50 0 HFAAHN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000023127703 559016058 /nfs/dbraw/zinc/01/60/58/559016058.db2.gz IIMFOHFTVHTEJB-UHFFFAOYSA-N 0 3 407.561 2.897 50 0 HFAAHN CC(C)(N)c1cn(C[C@H]2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1 ZINC000082039521 559036080 /nfs/dbraw/zinc/03/60/80/559036080.db2.gz DTLUNBYKTSPNGG-BZSISCHUSA-N 0 3 400.571 2.862 50 0 HFAAHN COc1cccc(OCCN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1 ZINC000091694204 559073091 /nfs/dbraw/zinc/07/30/91/559073091.db2.gz KKLZYKSMLQNVCW-OAQYLSRUSA-N 0 3 402.535 2.958 50 0 HFAAHN Cc1ncc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)c(=O)[n-]1 ZINC000095528325 559086477 /nfs/dbraw/zinc/08/64/77/559086477.db2.gz VJTYCPGUSYRYFX-QGZVFWFLSA-N 0 3 402.926 2.758 50 0 HFAAHN Cc1ncc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c(=O)[n-]1 ZINC000095528325 559086479 /nfs/dbraw/zinc/08/64/79/559086479.db2.gz VJTYCPGUSYRYFX-QGZVFWFLSA-N 0 3 402.926 2.758 50 0 HFAAHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023740213 559179690 /nfs/dbraw/zinc/17/96/90/559179690.db2.gz LSXKFQJLMMZJDH-HNNXBMFYSA-N 0 3 420.307 2.725 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(Cc2cnc(SC)nc2)CC1 ZINC000011708945 559241458 /nfs/dbraw/zinc/24/14/58/559241458.db2.gz OOPFEMHRNYWOEP-IBGZPJMESA-N 0 3 405.612 2.791 50 0 HFAAHN CN(CCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)Cc1ccccc1 ZINC000005141242 559251734 /nfs/dbraw/zinc/25/17/34/559251734.db2.gz RBYYVDQEZBTLSX-UHFFFAOYSA-N 0 3 404.514 2.985 50 0 HFAAHN Cc1ccc(C)c(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c1 ZINC000005254206 560551978 /nfs/dbraw/zinc/55/19/78/560551978.db2.gz SGVVHTJVADTFMM-UHFFFAOYSA-N 0 3 400.548 2.641 50 0 HFAAHN COc1c2c(c(CNS(=O)(=O)c3ccc(Cl)cc3)c3c1CN(C)CC3)OCO2 ZINC000008765063 560638462 /nfs/dbraw/zinc/63/84/62/560638462.db2.gz UKFXESRDKVLPHY-UHFFFAOYSA-N 0 3 424.906 2.544 50 0 biogenic HFAAHN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CCN(CCO)C[C@@H]12 ZINC000025184726 560891411 /nfs/dbraw/zinc/89/14/11/560891411.db2.gz CPEUUJRXMVVMRW-FYYLOGMGSA-N 0 3 424.932 2.788 50 0 HFAAHN CN1CCN(C)c2cc(NC(=O)C[C@H]3CN(Cc4ccccc4)CCO3)ccc2C1 ZINC000108168957 560898217 /nfs/dbraw/zinc/89/82/17/560898217.db2.gz CLCVKFZGVHPEOX-QFIPXVFZSA-N 0 3 408.546 2.798 50 0 HFAAHN O=S(=O)(c1ccccc1)N1C[C@H](CNCc2ccc(Cl)s2)N2CC[C@H]1C2 ZINC000108367071 568418676 /nfs/dbraw/zinc/41/86/76/568418676.db2.gz AIGGFIVHZYYBBK-GJZGRUSLSA-N 0 3 411.980 2.639 50 0 HFAAHN CN(C)C[C@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)[C@H](O)c1ccccc1 ZINC000047791041 568431215 /nfs/dbraw/zinc/43/12/15/568431215.db2.gz VVTIHQNPKPWGNT-DOTOQJQBSA-N 0 3 412.519 2.633 50 0 HFAAHN CC(C)CCn1c(=O)[nH]c(=O)c2c1NC(=O)CC2C(=O)Nc1ccc(F)c(F)c1F ZINC000049551613 568452054 /nfs/dbraw/zinc/45/20/54/568452054.db2.gz GJSJEZZGBJRXKA-SECBINFHSA-N 0 3 424.379 2.714 50 0 HFAAHN CCOC(=O)[C@@H](Cc1ccc(C)cc1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000225483215 568641857 /nfs/dbraw/zinc/64/18/57/568641857.db2.gz VIMCKSCXDUMORR-HXUWFJFHSA-N 0 3 402.535 2.621 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000021529692 568710143 /nfs/dbraw/zinc/71/01/43/568710143.db2.gz WUIZDWKPUQBTOA-HNNXBMFYSA-N 0 3 420.535 2.588 50 0 HFAAHN CCN(CC)[C@H](CNC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC000239667703 568729862 /nfs/dbraw/zinc/72/98/62/568729862.db2.gz BRNKSIMEXWNEMR-RTBURBONSA-N 0 3 423.554 2.734 50 0 HFAAHN CCN1CCN(CCNc2ncccc2-c2nnc(-c3ccc(OC)cc3)o2)CC1 ZINC000096339078 568736689 /nfs/dbraw/zinc/73/66/89/568736689.db2.gz QDPHJEHJTLOQHX-UHFFFAOYSA-N 0 3 408.506 2.857 50 0 HFAAHN CSc1ccc(-c2noc(CN3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1 ZINC000057427622 568835724 /nfs/dbraw/zinc/83/57/24/568835724.db2.gz COYALJCCJFFQRH-UHFFFAOYSA-N 0 3 415.563 2.764 50 0 HFAAHN CC(C)[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000057473962 568839269 /nfs/dbraw/zinc/83/92/69/568839269.db2.gz KZCUHDGEUMRIEH-AZUAARDMSA-N 0 3 401.894 2.906 50 0 HFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cn(Cc3ccc(F)cc3)nn2)C1 ZINC000012571662 568862164 /nfs/dbraw/zinc/86/21/64/568862164.db2.gz IHBAKBRDJQLABU-IBGZPJMESA-N 0 3 407.493 2.993 50 0 HFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000003213656 568862193 /nfs/dbraw/zinc/86/21/93/568862193.db2.gz ZOPZNBBJXXJODP-TZIWHRDSSA-N 0 3 413.543 2.693 50 0 HFAAHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000058156240 568893450 /nfs/dbraw/zinc/89/34/50/568893450.db2.gz DRJGHVYWSSFLLY-QFIPXVFZSA-N 0 3 407.514 2.820 50 0 HFAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1conc1-c1ccccc1 ZINC000670459537 568945528 /nfs/dbraw/zinc/94/55/28/568945528.db2.gz DLGYBWPOZSQLMS-VMQIMYIWSA-N 0 3 414.509 2.639 50 0 HFAAHN O=C(NCCN1CCCCCC1)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000015731350 568981825 /nfs/dbraw/zinc/98/18/25/568981825.db2.gz IGTSALJOXBVFBU-UHFFFAOYSA-N 0 3 402.568 2.925 50 0 HFAAHN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000016031644 569027953 /nfs/dbraw/zinc/02/79/53/569027953.db2.gz SSKZODUQLBCJAM-PDFGSZSQSA-N 0 3 415.493 2.528 50 0 HFAAHN CN(CCNC(=O)c1ccc(CN2c3ccnn3CCC2=O)cc1)Cc1ccccc1 ZINC000035373745 569034226 /nfs/dbraw/zinc/03/42/26/569034226.db2.gz KWMGEJWRWPQNAC-UHFFFAOYSA-N 0 3 417.513 2.682 50 0 HFAAHN CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CCN(Cc2ccncc2)CC1 ZINC000089346581 569058635 /nfs/dbraw/zinc/05/86/35/569058635.db2.gz WCDJGMIRSOQDMH-UHFFFAOYSA-N 0 3 409.559 2.965 50 0 HFAAHN O=C(NCCN1CCCCCC1)c1csc(-c2ccnc(N3CCOCC3)c2)n1 ZINC000065062626 569166296 /nfs/dbraw/zinc/16/62/96/569166296.db2.gz YOEZZRDGBLIEFW-UHFFFAOYSA-N 0 3 415.563 2.648 50 0 HFAAHN COCCCN1CCC(NC(=O)c2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000065536313 569234483 /nfs/dbraw/zinc/23/44/83/569234483.db2.gz FLNHWXSOBWKRMH-UHFFFAOYSA-N 0 3 406.477 2.998 50 0 HFAAHN O=C(CCn1cc(Br)ccc1=O)NCCCN1CCc2ccccc2C1 ZINC000065552448 569235168 /nfs/dbraw/zinc/23/51/68/569235168.db2.gz XXEBPANIJFCAFO-UHFFFAOYSA-N 0 3 418.335 2.566 50 0 HFAAHN O=C(CN[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607324 569244516 /nfs/dbraw/zinc/24/45/16/569244516.db2.gz DXRXGRWYXJHXMC-URXFXBBRSA-N 0 3 422.573 2.698 50 0 HFAAHN O=C(CN[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607325 569244580 /nfs/dbraw/zinc/24/45/80/569244580.db2.gz DXRXGRWYXJHXMC-XUZZJYLKSA-N 0 3 422.573 2.698 50 0 HFAAHN O=C1CC(N(O)c2ccccc2)C(=O)N1c1ccccc1I ZINC000002261439 569325346 /nfs/dbraw/zinc/32/53/46/569325346.db2.gz ROFCNRMMPQQLCV-AWEZNQCLSA-N 0 3 408.195 2.819 50 0 HFAAHN CN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000030000723 569357839 /nfs/dbraw/zinc/35/78/39/569357839.db2.gz BLKBCYNOKZLOQH-JTHBVZDNSA-N 0 3 420.557 2.535 50 0 HFAAHN Cc1cccc(N2CCN(CCCNc3nn4nnnc4c4ccccc43)C[C@H]2C)c1 ZINC000013364319 569412116 /nfs/dbraw/zinc/41/21/16/569412116.db2.gz BNGSWBMWGUADEK-GOSISDBHSA-N 0 3 416.533 2.994 50 0 HFAAHN CN(C)[C@@H](C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000078985318 569422831 /nfs/dbraw/zinc/42/28/31/569422831.db2.gz JZPRYJKRGXQIGK-OAQYLSRUSA-N 0 3 416.953 2.997 50 0 HFAAHN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000079060999 569426314 /nfs/dbraw/zinc/42/63/14/569426314.db2.gz SSAVQQRKRQELKK-FGTMMUONSA-N 0 3 409.596 2.813 50 0 HFAAHN C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 ZINC000540634614 571317682 /nfs/dbraw/zinc/31/76/82/571317682.db2.gz SCKBOTGNFRIIMB-VQIMIIECSA-N 0 3 416.547 2.851 50 0 HFAAHN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)N[C@@H]2CCc3ccccc32)cc1 ZINC000024760829 519733261 /nfs/dbraw/zinc/73/32/61/519733261.db2.gz LJIMMWHXSRLXIY-MGPUTAFESA-N 0 3 401.532 2.977 50 0 HFAAHN Cc1ccc(-c2nnc3ccccc3c2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000032952924 525862451 /nfs/dbraw/zinc/86/24/51/525862451.db2.gz UMLBWQPEOJQMPO-UHFFFAOYSA-N 0 3 403.530 2.973 50 0 HFAAHN COc1cc(OC)cc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)c1 ZINC000005274579 557642936 /nfs/dbraw/zinc/64/29/36/557642936.db2.gz CDYPCQNWCSPDRR-NRFANRHFSA-N 0 3 407.470 2.958 50 0 HFAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CCOCC1 ZINC000011874629 558292306 /nfs/dbraw/zinc/29/23/06/558292306.db2.gz WXPFLWQTBYSCLW-LJQANCHMSA-N 0 3 405.558 2.855 50 0 HFAAHN O=C1C[C@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000019881070 558301037 /nfs/dbraw/zinc/30/10/37/558301037.db2.gz SKAURIYKRZYAOX-MHZGPWMTSA-N 0 3 409.530 2.714 50 0 HFAAHN Cc1nc(CC(=O)NC[C@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)cs1 ZINC000012097501 558325349 /nfs/dbraw/zinc/32/53/49/558325349.db2.gz JZXJBHDFMQLXGL-LJQANCHMSA-N 0 3 400.548 2.719 50 0 HFAAHN O=C(CCn1c(CO)nc2ccccc21)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012316310 558379654 /nfs/dbraw/zinc/37/96/54/558379654.db2.gz RZAMGTJVVYLRFC-HXUWFJFHSA-N 0 3 406.530 2.742 50 0 HFAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc1OC ZINC000012707757 558450572 /nfs/dbraw/zinc/45/05/72/558450572.db2.gz IYCZMDLABLHGKA-HXUWFJFHSA-N 0 3 419.566 2.587 50 0 HFAAHN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C)cc1 ZINC000229978723 558488334 /nfs/dbraw/zinc/48/83/34/558488334.db2.gz ZTJMAPIREAQVAV-SLYNCCJLSA-N 0 3 401.484 2.900 50 0 HFAAHN CCN1CCN(C[C@@H](O)COc2cccc(CNCc3ccc(C)s3)c2)CC1 ZINC000022851336 558516835 /nfs/dbraw/zinc/51/68/35/558516835.db2.gz UWPAJAQAMJEPGR-HXUWFJFHSA-N 0 3 403.592 2.724 50 0 HFAAHN NS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000010905835 558551126 /nfs/dbraw/zinc/55/11/26/558551126.db2.gz GXWJIRWPLHERCA-UHFFFAOYSA-N 0 3 424.526 2.733 50 0 HFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN1CCN(CC)CC1 ZINC000023374616 558553995 /nfs/dbraw/zinc/55/39/95/558553995.db2.gz DRVRPSRYLCFQJZ-JOCHJYFZSA-N 0 3 418.601 2.566 50 0 HFAAHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000014226764 558638830 /nfs/dbraw/zinc/63/88/30/558638830.db2.gz LECHTBYFTORLAH-HXUWFJFHSA-N 0 3 403.548 2.750 50 0 HFAAHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 ZINC000014535931 558658193 /nfs/dbraw/zinc/65/81/93/558658193.db2.gz VICMRQCQHFKQIS-KRWDZBQOSA-N 0 3 402.539 2.878 50 0 HFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 ZINC000014539739 558659434 /nfs/dbraw/zinc/65/94/34/558659434.db2.gz FBUKSXSHFGPGLH-GOSISDBHSA-N 0 3 414.525 2.798 50 0 HFAAHN Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccncc4)CC3)c2c1C ZINC000026758298 558664779 /nfs/dbraw/zinc/66/47/79/558664779.db2.gz XMMMLCVYDOIOMJ-UHFFFAOYSA-N 0 3 424.574 2.862 50 0 HFAAHN COc1cccc([C@H](CNC(=O)CCNC(=O)c2cccs2)N2CCCC2)c1 ZINC000027341138 558672073 /nfs/dbraw/zinc/67/20/73/558672073.db2.gz RUNXTLGNRDDUNG-SFHVURJKSA-N 0 3 401.532 2.830 50 0 HFAAHN COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1 ZINC000014887259 558677592 /nfs/dbraw/zinc/67/75/92/558677592.db2.gz SIUINDDBPKQYEM-PMACEKPBSA-N 0 3 418.534 2.513 50 0 HFAAHN CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc(OC)c(Cn3cncn3)c2)C1 ZINC000014956295 558682537 /nfs/dbraw/zinc/68/25/37/558682537.db2.gz FODVKBUECMNSQD-JOCHJYFZSA-N 0 3 416.522 2.517 50 0 HFAAHN COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C(=O)c3cc(C)n(C)n3)C2)cc1 ZINC000014981966 558692107 /nfs/dbraw/zinc/69/21/07/558692107.db2.gz KZBZDYJBQYWWPS-CTNGQTDRSA-N 0 3 410.518 2.642 50 0 HFAAHN O=C(CCCn1nnc(-c2ccccc2)n1)NC1CCN(Cc2ccccc2)CC1 ZINC000070036414 558702166 /nfs/dbraw/zinc/70/21/66/558702166.db2.gz FKRIYKXIHHACOD-UHFFFAOYSA-N 0 3 404.518 2.901 50 0 HFAAHN CN(Cc1cc(C2CC2)[nH]n1)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000015062141 558705133 /nfs/dbraw/zinc/70/51/33/558705133.db2.gz DUUNTZNUSCFNAS-NRFANRHFSA-N 0 3 404.461 2.551 50 0 HFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCN1CCCO1 ZINC000015075220 558715876 /nfs/dbraw/zinc/71/58/76/558715876.db2.gz NUFGJAHGNDZUQZ-OAQYLSRUSA-N 0 3 403.567 2.826 50 0 HFAAHN CC[C@H](C)[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000016020602 558767557 /nfs/dbraw/zinc/76/75/57/558767557.db2.gz BHKTUHAQVLFBBP-RJPVGMBJSA-N 0 3 421.472 2.792 50 0 HFAAHN Cc1cc(=O)[nH]c(C)c1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000072310200 558781667 /nfs/dbraw/zinc/78/16/67/558781667.db2.gz IJOZBTXGDXTHLV-UHFFFAOYSA-N 0 3 403.910 2.918 50 0 HFAAHN CCN1CCN(c2ccc(C(=O)NCCc3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000072311638 558788509 /nfs/dbraw/zinc/78/85/09/558788509.db2.gz XDLYOMRLKNQZLP-UHFFFAOYSA-N 0 3 405.502 2.851 50 0 HFAAHN O=C(CN1CCCCC1)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055131883 558873581 /nfs/dbraw/zinc/87/35/81/558873581.db2.gz VQJZUMPDCPLXOS-NRFANRHFSA-N 0 3 404.986 2.939 50 0 HFAAHN CN(C)CCNC(=O)c1cn2cc(-c3ccccc3Cl)n(CC3CC3)c(=O)c2n1 ZINC000072418479 558978248 /nfs/dbraw/zinc/97/82/48/558978248.db2.gz DDQYTLJOTMDTRU-UHFFFAOYSA-N 0 3 413.909 2.518 50 0 HFAAHN CN1CCN(C(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000065892510 558982662 /nfs/dbraw/zinc/98/26/62/558982662.db2.gz PAPUDYYWKXWMIJ-UHFFFAOYSA-N 0 3 420.557 2.925 50 0 HFAAHN O=C(Cn1nc(C(=O)N2CCCC2)c2ccccc21)N1CCN(C2CCCCC2)CC1 ZINC000033269365 559032108 /nfs/dbraw/zinc/03/21/08/559032108.db2.gz IPEJDEORALINGN-UHFFFAOYSA-N 0 3 423.561 2.749 50 0 HFAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(CC[C@H](C)c1ccc(C)o1)CC2 ZINC000095498902 559081924 /nfs/dbraw/zinc/08/19/24/559081924.db2.gz SPRYSVHIFDUCFH-INIZCTEOSA-N 0 3 400.523 2.827 50 0 HFAAHN O=C(Nc1ccccc1F)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061718100 559292843 /nfs/dbraw/zinc/29/28/43/559292843.db2.gz QXENDQYYYYXIBG-CQSZACIVSA-N 0 3 422.416 2.632 50 0 HFAAHN O=C(Nc1ccccc1F)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1 ZINC000061718101 559292853 /nfs/dbraw/zinc/29/28/53/559292853.db2.gz QXENDQYYYYXIBG-AWEZNQCLSA-N 0 3 422.416 2.632 50 0 HFAAHN Cc1cccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)c1 ZINC000005254441 560552132 /nfs/dbraw/zinc/55/21/32/560552132.db2.gz HAEVXMMKQPQKJM-UHFFFAOYSA-N 0 3 400.548 2.723 50 0 HFAAHN COc1cc(=O)n2c(c1C(=O)NC1CCN(Cc3ccccc3)CC1)CCCCC2 ZINC000583648742 560778935 /nfs/dbraw/zinc/77/89/35/560778935.db2.gz DJGQHCUTZWFRAJ-UHFFFAOYSA-N 0 3 409.530 2.978 50 0 HFAAHN Nc1nc(N2CCN(C3CCCCC3)CC2)ncc1C(=O)NCc1ccccc1F ZINC000049401528 568447732 /nfs/dbraw/zinc/44/77/32/568447732.db2.gz HTJXPVZYDWDGIC-UHFFFAOYSA-N 0 3 412.513 2.583 50 0 HFAAHN CCC(=O)N1[C@@H](C(=O)NCCc2ccc(Cl)cc2)CSC12CCN(C)CC2 ZINC000006943441 568465255 /nfs/dbraw/zinc/46/52/55/568465255.db2.gz DHDBDFYNNWGBGC-QGZVFWFLSA-N 0 3 409.983 2.775 50 0 HFAAHN CCN1CCN(CCNC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)CC1 ZINC000020514906 568622591 /nfs/dbraw/zinc/62/25/91/568622591.db2.gz GGKHCSIWQCLSSE-MUUNZHRXSA-N 0 3 423.966 2.608 50 0 HFAAHN CCOC(=O)CCNC(=O)NCc1c2c(sc1-n1cccc1)CN(CC)CC2 ZINC000020860269 568645918 /nfs/dbraw/zinc/64/59/18/568645918.db2.gz KXCQYGPOUULXJL-UHFFFAOYSA-N 0 3 404.536 2.669 50 0 HFAAHN CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000096000082 568680877 /nfs/dbraw/zinc/68/08/77/568680877.db2.gz XREJUWSEYXXXLM-OAHLLOKOSA-N 0 3 400.508 2.551 50 0 HFAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc2scnc2c1 ZINC000670442968 568902558 /nfs/dbraw/zinc/90/25/58/568902558.db2.gz DSKWDYCWDBTXDZ-VSZUSUSQSA-N 0 3 404.539 2.594 50 0 HFAAHN Cc1ccccc1CN1CCCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000031766604 568930741 /nfs/dbraw/zinc/93/07/41/568930741.db2.gz BGWNETAHXGUEKX-UHFFFAOYSA-N 0 3 400.544 2.888 50 0 HFAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1conc1-c1ccccc1 ZINC000670459536 568945536 /nfs/dbraw/zinc/94/55/36/568945536.db2.gz DLGYBWPOZSQLMS-UXVFNKRRSA-N 0 3 414.509 2.639 50 0 HFAAHN Cc1cc(=O)c(C(=O)NCc2cccc(OCCN(C)C)c2)nn1-c1ccccc1F ZINC000059350450 568951742 /nfs/dbraw/zinc/95/17/42/568951742.db2.gz HAOXJUZPHJCZSD-UHFFFAOYSA-N 0 3 424.476 2.550 50 0 HFAAHN CN(CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)Cc1ccccc1 ZINC000015677458 568964968 /nfs/dbraw/zinc/96/49/68/568964968.db2.gz BODBTYMKYNRJFE-UHFFFAOYSA-N 0 3 404.514 2.985 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000015731544 568981575 /nfs/dbraw/zinc/98/15/75/568981575.db2.gz DHJCVZCGYOBQIC-UHFFFAOYSA-N 0 3 413.543 2.621 50 0 HFAAHN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000038488373 568997648 /nfs/dbraw/zinc/99/76/48/568997648.db2.gz FHQFPNWQUYCFDQ-UHFFFAOYSA-N 0 3 423.546 2.881 50 0 HFAAHN O=C(CCn1cnc2ccccc2c1=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000015862561 569015962 /nfs/dbraw/zinc/01/59/62/569015962.db2.gz NWGZVJWDIGIJJA-UHFFFAOYSA-N 0 3 422.504 2.954 50 0 HFAAHN C[C@@H]1CCCCN1CCNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000035372389 569033850 /nfs/dbraw/zinc/03/38/50/569033850.db2.gz RDKWUPXFVLLDBR-QGZVFWFLSA-N 0 3 409.534 2.659 50 0 HFAAHN CCOC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000245231718 569055256 /nfs/dbraw/zinc/05/52/56/569055256.db2.gz JGJYVIGWLAJVFX-JZKQVHKSSA-N 0 3 415.490 2.564 50 0 HFAAHN O[C@@H](COCc1ccccc1)CN(CCN1CCOCC1)Cc1ccc(F)cc1 ZINC000036102442 569092003 /nfs/dbraw/zinc/09/20/03/569092003.db2.gz QKILSBUAJUJTBE-HSZRJFAPSA-N 0 3 402.510 2.538 50 0 HFAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4C)C2)cc1 ZINC000064858968 569109354 /nfs/dbraw/zinc/10/93/54/569109354.db2.gz FGVMFEKGLMSAOL-IBGZPJMESA-N 0 3 404.514 2.802 50 0 HFAAHN CC1CCC2(CC1)OC[C@@H](C(=O)NCCN(C)C)N2C(=O)c1ccc(Cl)cc1 ZINC000006833455 569148406 /nfs/dbraw/zinc/14/84/06/569148406.db2.gz LRYROLQEWBBYEB-GFBDMGBSSA-N 0 3 407.942 2.765 50 0 HFAAHN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000006840340 569151287 /nfs/dbraw/zinc/15/12/87/569151287.db2.gz YBUPFRFWFRHHAR-NRFANRHFSA-N 0 3 415.559 2.506 50 0 HFAAHN Cc1c(C(=O)NCCN(C)Cc2ccccc2)sc2nc3n(c(=O)c12)CCCC3 ZINC000006841106 569151754 /nfs/dbraw/zinc/15/17/54/569151754.db2.gz IFICQQLJBZKWMJ-UHFFFAOYSA-N 0 3 410.543 2.965 50 0 HFAAHN CN(C)Cc1cccc(CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 ZINC000036397846 569171047 /nfs/dbraw/zinc/17/10/47/569171047.db2.gz NDYDKYFACQSEJY-UHFFFAOYSA-N 0 3 421.588 2.914 50 0 HFAAHN CC(C)Cn1c2ccccc2n2nc(C(=O)NCCN3CCC[C@H](C)C3)cc2c1=O ZINC000065292431 569218341 /nfs/dbraw/zinc/21/83/41/569218341.db2.gz GBZUKZWBFIPAAH-KRWDZBQOSA-N 0 3 409.534 2.767 50 0 HFAAHN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000065329723 569224827 /nfs/dbraw/zinc/22/48/27/569224827.db2.gz LCGXGUQFTSBXQI-UHFFFAOYSA-N 0 3 400.479 2.751 50 0 HFAAHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCN(Cc1ccco1)C1CCCC1 ZINC000065329540 569224886 /nfs/dbraw/zinc/22/48/86/569224886.db2.gz DIDMIPLWCCEJSC-UHFFFAOYSA-N 0 3 412.490 2.993 50 0 HFAAHN CN1CCCN(c2ccc(NC(=O)NCc3ccc(-n4cccn4)nc3)cc2F)CC1 ZINC000065476415 569231442 /nfs/dbraw/zinc/23/14/42/569231442.db2.gz JXZOUWBWNPJRTO-UHFFFAOYSA-N 0 3 423.496 2.870 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252498837 569291117 /nfs/dbraw/zinc/29/11/17/569291117.db2.gz RNEWONJCLMSXPD-IEBWSBKVSA-N 0 3 408.502 2.850 50 0 HFAAHN C[C@@H]1C[C@](O)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C)CN1C ZINC000195777574 569314635 /nfs/dbraw/zinc/31/46/35/569314635.db2.gz URNGAGFSEVYAOW-DRLORSAXSA-N 0 3 401.626 2.787 50 0 HFAAHN Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000581819831 569320871 /nfs/dbraw/zinc/32/08/71/569320871.db2.gz NKGBTXWSQDENJB-HXUWFJFHSA-N 0 3 418.582 2.719 50 0 HFAAHN COc1ccc([C@@H](CNC(=O)CN2CCOc3ccc(Cl)cc32)N(C)C)cc1 ZINC000078902843 569421588 /nfs/dbraw/zinc/42/15/88/569421588.db2.gz BXXJZVRZBOXXNH-LJQANCHMSA-N 0 3 403.910 2.967 50 0 HFAAHN Cc1ccc(S(=O)(=O)c2cnc(N3CCC(N4CCCCC4)CC3)nc2N)cc1 ZINC000067336164 571079776 /nfs/dbraw/zinc/07/97/76/571079776.db2.gz UUZCPICOZSHIOE-UHFFFAOYSA-N 0 3 415.563 2.655 50 0 HFAAHN CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000040081490 571155995 /nfs/dbraw/zinc/15/59/95/571155995.db2.gz BLKBCYNOKZLOQH-GGAORHGYSA-N 0 3 420.557 2.535 50 0 HFAAHN CCN1CCN(Cc2ccc(CNC(=O)c3cc4ccccc4oc3=O)cc2)CC1 ZINC000040115681 571173353 /nfs/dbraw/zinc/17/33/53/571173353.db2.gz YQJFSFBGWOZDBQ-UHFFFAOYSA-N 0 3 405.498 2.861 50 0 HFAAHN CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2OCCN(C)C)c1 ZINC000040115957 571173669 /nfs/dbraw/zinc/17/36/69/571173669.db2.gz ZZTAQGUHSVGAQQ-UHFFFAOYSA-N 0 3 419.547 2.958 50 0 HFAAHN COCCN1CCc2c(cccc2-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)C1 ZINC000069966698 571251586 /nfs/dbraw/zinc/25/15/86/571251586.db2.gz ZHZCHCIAJJKKMI-UHFFFAOYSA-N 0 3 409.465 2.972 50 0 HFAAHN CC(C)[C@@H](NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)OCCCO2 ZINC000009513731 571264513 /nfs/dbraw/zinc/26/45/13/571264513.db2.gz IZIDPDBAEDVOHF-OAQYLSRUSA-N 0 3 410.474 2.943 50 0 HFAAHN O=C(NC1CCN(C2CC2)CC1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000009961775 571292764 /nfs/dbraw/zinc/29/27/64/571292764.db2.gz INOWPHCHUVQIDN-UHFFFAOYSA-N 0 3 417.509 2.882 50 0 HFAAHN CN1CCN(c2ccc(C(=O)N[C@@H]3CCCN(CCc4ccccc4)C3)cc2)CC1 ZINC000012449442 132360859 /nfs/dbraw/zinc/36/08/59/132360859.db2.gz ASKRDMROASVETA-HSZRJFAPSA-N 0 3 406.574 2.875 50 0 HFAAHN CCN(CC)CCSc1nnc(Cn2cnc3sc4c(c3c2=O)CCC4)o1 ZINC000031817202 520709534 /nfs/dbraw/zinc/70/95/34/520709534.db2.gz CSTDXIGDLATIHW-UHFFFAOYSA-N 0 3 405.549 2.812 50 0 HFAAHN COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccsc3)CC2)cc1 ZINC000043941026 522084994 /nfs/dbraw/zinc/08/49/94/522084994.db2.gz DZVFXQFUXSYXHG-UHFFFAOYSA-N 0 3 415.515 2.502 50 0 HFAAHN CC[C@@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 ZINC000032447359 522530861 /nfs/dbraw/zinc/53/08/61/522530861.db2.gz MEBVLTRHFYWJSD-FQEVSTJZSA-N 0 3 407.514 2.903 50 0 HFAAHN CC[C@@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)N1CCc2ccccc2C1 ZINC000032446347 522539974 /nfs/dbraw/zinc/53/99/74/522539974.db2.gz FQAABOAMQRECOY-NRFANRHFSA-N 0 3 400.544 2.798 50 0 HFAAHN COc1cc(OC)cc(C(=O)Nc2nc(C(=O)N(C)C3CCN(C)CC3)cs2)c1 ZINC000040356096 522858169 /nfs/dbraw/zinc/85/81/69/522858169.db2.gz GSCTUMVTZBFZKU-UHFFFAOYSA-N 0 3 418.519 2.579 50 0 HFAAHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1nccn1Cc1ccccc1 ZINC000097325557 557272975 /nfs/dbraw/zinc/27/29/75/557272975.db2.gz GSABTVYPLYXSNQ-TVRKMHQQSA-N 0 3 403.548 2.930 50 0 HFAAHN COCCN(C[C@@H]1CN(Cc2ccccn2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740560 557443965 /nfs/dbraw/zinc/44/39/65/557443965.db2.gz KICQHJRPWYLXFG-SIKLNZKXSA-N 0 3 415.509 2.558 50 0 HFAAHN CC1CCC2(CC1)OC[C@@H](C(=O)NCCN1CCCC1)N2C(=O)c1ccccc1F ZINC000034920938 557483561 /nfs/dbraw/zinc/48/35/61/557483561.db2.gz NMDGDCZQGIQEAJ-GTPZEUEISA-N 0 3 417.525 2.785 50 0 HFAAHN COc1cc(CNCCSc2nnnn2-c2ccccc2)cc(OC)c1OC ZINC000004993781 557622312 /nfs/dbraw/zinc/62/23/12/557622312.db2.gz DQNNJRGJIVBHST-UHFFFAOYSA-N 0 3 401.492 2.570 50 0 HFAAHN CN(C)CCNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010111667 557855423 /nfs/dbraw/zinc/85/54/23/557855423.db2.gz RZVHVLZLMNGCOU-UHFFFAOYSA-N 0 3 409.939 2.598 50 0 HFAAHN COc1cc(CN2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cnsn1 ZINC000012036751 558311895 /nfs/dbraw/zinc/31/18/95/558311895.db2.gz ITOHZAIVFXSSJE-HNNXBMFYSA-N 0 3 404.536 2.978 50 0 HFAAHN O=C(C1CCN(Cc2ccccc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000020100544 558331708 /nfs/dbraw/zinc/33/17/08/558331708.db2.gz OFWOBBJKWNKJDO-UHFFFAOYSA-N 0 3 421.541 2.972 50 0 HFAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000020103449 558332460 /nfs/dbraw/zinc/33/24/60/558332460.db2.gz UEULJZAFFPYMPG-QGZVFWFLSA-N 0 3 422.441 2.718 50 0 HFAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000012373434 558390771 /nfs/dbraw/zinc/39/07/71/558390771.db2.gz BZQMSECFIZQNTO-UHFFFAOYSA-N 0 3 408.506 2.925 50 0 HFAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNCCSc1nc[nH]n1 ZINC000020913043 558422430 /nfs/dbraw/zinc/42/24/30/558422430.db2.gz WEMKEVMFEXTQDA-UHFFFAOYSA-N 0 3 413.551 2.659 50 0 HFAAHN Cc1oc(-c2cc(F)ccc2F)nc1CN1CCC(N2CCNC(=O)CC2)CC1 ZINC000020997962 558427309 /nfs/dbraw/zinc/42/73/09/558427309.db2.gz GGVJHTFUGDWKAX-UHFFFAOYSA-N 0 3 404.461 2.715 50 0 HFAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)CC1 ZINC000020999525 558428194 /nfs/dbraw/zinc/42/81/94/558428194.db2.gz SCADZCVAVYBUJF-HXUWFJFHSA-N 0 3 412.534 2.982 50 0 HFAAHN CC1CCN([C@@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)c2cccs2)CC1 ZINC000012797430 558469859 /nfs/dbraw/zinc/46/98/59/558469859.db2.gz YQSYSDPEXPMQMG-SFHVURJKSA-N 0 3 411.527 2.934 50 0 HFAAHN O=C(NCCN1CCCCCC1)c1ccc(-c2ccnc(N3CCOCC3)n2)cc1 ZINC000064756005 558486749 /nfs/dbraw/zinc/48/67/49/558486749.db2.gz WYDCUCJUZOPGGC-UHFFFAOYSA-N 0 3 409.534 2.586 50 0 HFAAHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1ccccc1C ZINC000013039720 558506340 /nfs/dbraw/zinc/50/63/40/558506340.db2.gz UJFIEOQENZVQNN-OAHLLOKOSA-N 0 3 405.520 2.543 50 0 HFAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccccc1N1CCCC1=O ZINC000022808378 558514069 /nfs/dbraw/zinc/51/40/69/558514069.db2.gz XUQYYZNMBUORIK-UHFFFAOYSA-N 0 3 406.530 2.960 50 0 HFAAHN COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(C[C@@H](C)c1ccccc1)CC2 ZINC000023159583 558539802 /nfs/dbraw/zinc/53/98/02/558539802.db2.gz NDYXXQVRUPTBPU-GOSISDBHSA-N 0 3 409.530 2.755 50 0 HFAAHN O=c1c(CNCCN2CCOCC2)cc2ccc(F)cc2n1CCc1ccccc1 ZINC000023355380 558551121 /nfs/dbraw/zinc/55/11/21/558551121.db2.gz XUJPDEXSLMVNHY-UHFFFAOYSA-N 0 3 409.505 2.805 50 0 HFAAHN COc1ccc([C@@H](CNC(=O)CCCn2c(C)csc2=O)N2CCCC2)cc1 ZINC000023487378 558560003 /nfs/dbraw/zinc/56/00/03/558560003.db2.gz DZYOTSXMZWPTPQ-LJQANCHMSA-N 0 3 403.548 2.960 50 0 HFAAHN Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN(C)C2CCN(C)CC2)cc1 ZINC000023760891 558574178 /nfs/dbraw/zinc/57/41/78/558574178.db2.gz RLXZWWQSDRPGNB-UHFFFAOYSA-N 0 3 408.546 2.890 50 0 HFAAHN O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCC2)CN(Cc2ccncc2)C1 ZINC000014541687 558660358 /nfs/dbraw/zinc/66/03/58/558660358.db2.gz URLAGPJERAETEY-MOPGFXCFSA-N 0 3 410.493 2.920 50 0 HFAAHN Cc1ccc(C)c(CN[C@H]2C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)c1 ZINC000014542218 558660428 /nfs/dbraw/zinc/66/04/28/558660428.db2.gz YTYUXIPIAFHUKZ-VJBMBRPKSA-N 0 3 416.525 2.585 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccccc3OC)c(C)c2)CC1 ZINC000026909339 558666822 /nfs/dbraw/zinc/66/68/22/558666822.db2.gz JXOXFUROQZINKH-UHFFFAOYSA-N 0 3 410.518 2.514 50 0 HFAAHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1F)C2 ZINC000014743225 558667758 /nfs/dbraw/zinc/66/77/58/558667758.db2.gz PMMMGJSVRWFKOD-INIZCTEOSA-N 0 3 402.539 2.878 50 0 HFAAHN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 ZINC000014882176 558676372 /nfs/dbraw/zinc/67/63/72/558676372.db2.gz YHHJHFUUHUNTRK-QGZVFWFLSA-N 0 3 407.518 2.703 50 0 HFAAHN CCc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)cc1 ZINC000014882421 558676418 /nfs/dbraw/zinc/67/64/18/558676418.db2.gz HIOSEBJIEJHLJJ-UHFFFAOYSA-N 0 3 421.520 2.897 50 0 HFAAHN COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(OC)c1 ZINC000014887265 558677555 /nfs/dbraw/zinc/67/75/55/558677555.db2.gz SIUINDDBPKQYEM-VQTJNVASSA-N 0 3 418.534 2.513 50 0 HFAAHN CCC(CC)CN1CCN(c2cccc3c2C(=O)N(CCn2cccn2)C3=O)CC1 ZINC000014976811 558689505 /nfs/dbraw/zinc/68/95/05/558689505.db2.gz VDFLMGDSOWBMQF-UHFFFAOYSA-N 0 3 409.534 2.738 50 0 HFAAHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4ccc(F)cc4)nn3cnc1O2 ZINC000017082338 558814458 /nfs/dbraw/zinc/81/44/58/558814458.db2.gz TUKCIGRRABXPEN-OAHLLOKOSA-N 0 3 402.393 2.981 50 0 HFAAHN NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000004593561 558831386 /nfs/dbraw/zinc/83/13/86/558831386.db2.gz VZXYSALQMPDDOJ-UHFFFAOYSA-N 0 3 413.349 2.738 50 0 HFAAHN Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@H]43)n2)cc1 ZINC000004594098 558832055 /nfs/dbraw/zinc/83/20/55/558832055.db2.gz TZMMNMNLKAIQRX-PZJWPPBQSA-N 0 3 402.502 2.791 50 0 HFAAHN OCCOc1cccc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1 ZINC000019300056 558866141 /nfs/dbraw/zinc/86/61/41/558866141.db2.gz JTIOJIACOASSOA-QHCPKHFHSA-N 0 3 413.537 2.983 50 0 HFAAHN CN(Cc1ccccc1)C[C@H](O)Cn1cnc2ccc(Br)cc2c1=O ZINC000058162702 558906233 /nfs/dbraw/zinc/90/62/33/558906233.db2.gz LCUUMKXMAASJKA-INIZCTEOSA-N 0 3 402.292 2.652 50 0 HFAAHN C[C@H]1CCCCN1CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004710481 558916533 /nfs/dbraw/zinc/91/65/33/558916533.db2.gz CTKCVJWZTBWUHS-INIZCTEOSA-N 0 3 402.926 2.944 50 0 HFAAHN C[C@@H]1CCCCN1CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004710475 558916589 /nfs/dbraw/zinc/91/65/89/558916589.db2.gz CTKCVJWZTBWUHS-MRXNPFEDSA-N 0 3 402.926 2.944 50 0 HFAAHN Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCCCC3)s2)cc1 ZINC000033062028 558955639 /nfs/dbraw/zinc/95/56/39/558955639.db2.gz WHDXMPZHJOVTCH-UHFFFAOYSA-N 0 3 401.536 2.634 50 0 HFAAHN CCCCN1C(=O)C[C@@H](C(=O)NC2CCN(CC)CC2)[C@H]1c1ccc(OC)cc1 ZINC000022992168 558965366 /nfs/dbraw/zinc/96/53/66/558965366.db2.gz ZGMIUGPGIPEXQA-IFMALSPDSA-N 0 3 401.551 2.985 50 0 HFAAHN Cc1cccc(N(Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000065364258 558975301 /nfs/dbraw/zinc/97/53/01/558975301.db2.gz XXKNZUFVMHDYAW-UHFFFAOYSA-N 0 3 415.559 2.785 50 0 HFAAHN OCC[C@H]1CN(C2CCN(Cc3ccco3)CC2)CCN1Cc1ccccc1F ZINC000077397514 559003848 /nfs/dbraw/zinc/00/38/48/559003848.db2.gz UGSQTLAHKRLBSK-NRFANRHFSA-N 0 3 401.526 2.952 50 0 HFAAHN CN1CCN([C@H]2CCN(Cc3c(Cl)cncc3Cl)C[C@H]2CCCO)CC1 ZINC000095368706 559080173 /nfs/dbraw/zinc/08/01/73/559080173.db2.gz WJBFBEFPHOHEAP-BEFAXECRSA-N 0 3 401.382 2.599 50 0 HFAAHN C[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000096298551 559108862 /nfs/dbraw/zinc/10/88/62/559108862.db2.gz QRVTVRHQSMFYAM-KXBFYZLASA-N 0 3 400.910 2.975 50 0 HFAAHN COCCN(C[C@H]1CN(Cc2ccccn2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000247828685 559142556 /nfs/dbraw/zinc/14/25/56/559142556.db2.gz KICQHJRPWYLXFG-KNQAVFIVSA-N 0 3 415.509 2.558 50 0 HFAAHN O=C(NCCN1CCCCCC1)C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000005144142 559252229 /nfs/dbraw/zinc/25/22/29/559252229.db2.gz JXQWVRHQHDLKKD-UHFFFAOYSA-N 0 3 402.568 2.537 50 0 HFAAHN CN(CCNC(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Cc1ccccc1 ZINC000005201371 560537475 /nfs/dbraw/zinc/53/74/75/560537475.db2.gz YOHKIZKDEKYCOB-SFHVURJKSA-N 0 3 400.910 2.877 50 0 HFAAHN C[C@@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000215870880 560641981 /nfs/dbraw/zinc/64/19/81/560641981.db2.gz KWFNBTWRALAWBZ-DGCLKSJQSA-N 0 3 419.330 2.731 50 0 HFAAHN O=C1CC(N(O)c2ccccc2)C(=O)N1c1ccccc1I ZINC000101028133 560766743 /nfs/dbraw/zinc/76/67/43/560766743.db2.gz ROFCNRMMPQQLCV-CQSZACIVSA-N 0 3 408.195 2.819 50 0 HFAAHN Cc1nn(C)c2nc(C)c(C(=O)NCCCN3CCN(C)C[C@H]3c3ccccc3)cc12 ZINC000109025650 568420798 /nfs/dbraw/zinc/42/07/98/568420798.db2.gz LSIRFUOKGNYRAV-QFIPXVFZSA-N 0 3 420.561 2.694 50 0 HFAAHN CC(C)CCn1c(=O)[nH]c(=O)c2c1NC(=O)CC2C(=O)Nc1ccc(F)c(F)c1F ZINC000049551615 568452058 /nfs/dbraw/zinc/45/20/58/568452058.db2.gz GJSJEZZGBJRXKA-VIFPVBQESA-N 0 3 424.379 2.714 50 0 HFAAHN CS[C@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(C)cc2)C[C@H]1N1CCCC1 ZINC000095939715 568661542 /nfs/dbraw/zinc/66/15/42/568661542.db2.gz GFJHVVZRIUTWCG-SJORKVTESA-N 0 3 417.604 2.580 50 0 HFAAHN O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(N2CC[C@H](O)C2)CC1 ZINC000096099734 568690783 /nfs/dbraw/zinc/69/07/83/568690783.db2.gz RBMLKVJCTXSGJK-LBPRGKRZSA-N 0 3 412.861 2.579 50 0 HFAAHN C[C@@H]1C[C@](O)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](C)CN1C ZINC000226869847 568698358 /nfs/dbraw/zinc/69/83/58/568698358.db2.gz URNGAGFSEVYAOW-VRUMLPLGSA-N 0 3 401.626 2.787 50 0 HFAAHN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000229442319 568714218 /nfs/dbraw/zinc/71/42/18/568714218.db2.gz SSAVQQRKRQELKK-KZNAEPCWSA-N 0 3 409.596 2.813 50 0 HFAAHN COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCCN(C)C)c2c1 ZINC000215697725 568790974 /nfs/dbraw/zinc/79/09/74/568790974.db2.gz ZVGUQQDGIDAWLF-BKUYFWCQSA-N 0 3 406.486 2.625 50 0 HFAAHN CN1CCCCC[C@H]1C(=O)N1CCC2(C[C@@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000299758160 568873001 /nfs/dbraw/zinc/87/30/01/568873001.db2.gz NZPCKZGXAJHWOL-RTWAWAEBSA-N 0 3 412.578 2.634 50 0 HFAAHN COC(=O)c1cn(C[C@H](c2ccc(Cl)cc2)N2CCCC2)cc2c(=O)[nH]nc1-2 ZINC000263587846 568883392 /nfs/dbraw/zinc/88/33/92/568883392.db2.gz LXLBXTDHXSYSRR-QGZVFWFLSA-N 0 3 400.866 2.953 50 0 HFAAHN COc1ccc(Cl)cc1C(=O)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670440761 568890354 /nfs/dbraw/zinc/89/03/54/568890354.db2.gz DRKIRUPBPSRYKR-FCRSDJTPSA-N 0 3 411.933 2.646 50 0 HFAAHN O=S(=O)(c1cccnc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 ZINC000217591476 568895651 /nfs/dbraw/zinc/89/56/51/568895651.db2.gz QBBDEPAONKDGBW-UHFFFAOYSA-N 0 3 419.522 2.917 50 0 HFAAHN CC(C)(CNC(=O)CCNC(=O)c1ccc(Br)cc1)N1CCCCC1 ZINC000015624373 568955633 /nfs/dbraw/zinc/95/56/33/568955633.db2.gz QPLDJKWRJJPNQZ-UHFFFAOYSA-N 0 3 410.356 2.950 50 0 HFAAHN Cc1ccc([C@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCCC2)cc1 ZINC000007997273 568967632 /nfs/dbraw/zinc/96/76/32/568967632.db2.gz XOPVALWKPLEDAT-NRFANRHFSA-N 0 3 405.498 2.934 50 0 HFAAHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](c1ccccc1)C(C)C ZINC000008003218 568967862 /nfs/dbraw/zinc/96/78/62/568967862.db2.gz ACLLXSVBXKRHDW-NRFANRHFSA-N 0 3 419.547 2.871 50 0 HFAAHN CN1CCC2(CC1)C[C@H](NC(=O)Cc1n[nH]c(=O)c3ccccc13)c1ccccc1O2 ZINC000008131837 568975551 /nfs/dbraw/zinc/97/55/51/568975551.db2.gz WRBWKHPRQKOIJY-FQEVSTJZSA-N 0 3 418.497 2.570 50 0 HFAAHN COc1ccc([C@@H](NCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C(C)C)cc1 ZINC000012880773 569017888 /nfs/dbraw/zinc/01/78/88/569017888.db2.gz PSCLVMNOHDXZBT-WDALLZDZSA-N 0 3 416.522 2.514 50 0 HFAAHN COc1ccc([C@H](NCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C(C)C)cc1 ZINC000012880783 569018001 /nfs/dbraw/zinc/01/80/01/569018001.db2.gz PSCLVMNOHDXZBT-JOXBDYEASA-N 0 3 416.522 2.514 50 0 HFAAHN Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COCc2ccco2)c(C)c1 ZINC000036098860 569091049 /nfs/dbraw/zinc/09/10/49/569091049.db2.gz QXUNAOORYKABSS-QFIPXVFZSA-N 0 3 402.535 2.608 50 0 HFAAHN C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775951 569093774 /nfs/dbraw/zinc/09/37/74/569093774.db2.gz FLORGDLHWHZVGJ-QGZVFWFLSA-N 0 3 421.545 2.926 50 0 HFAAHN CCC(=O)N(CCN(C)C)Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1 ZINC000036312213 569132755 /nfs/dbraw/zinc/13/27/55/569132755.db2.gz PFLZNBJXAOQIDK-UHFFFAOYSA-N 0 3 417.529 2.533 50 0 HFAAHN CCN1CCN(CCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)CC1 ZINC000064968150 569137870 /nfs/dbraw/zinc/13/78/70/569137870.db2.gz WRYPQHPWXCMPLD-UHFFFAOYSA-N 0 3 406.530 2.980 50 0 HFAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN3C[C@H](C)C[C@H](C)C3)c(=O)c21 ZINC000006900163 569176215 /nfs/dbraw/zinc/17/62/15/569176215.db2.gz UTQQWYFXRRLGTN-HDICACEKSA-N 0 3 423.561 2.855 50 0 HFAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN3C[C@@H](C)C[C@H](C)C3)c(=O)c21 ZINC000006900165 569176237 /nfs/dbraw/zinc/17/62/37/569176237.db2.gz UTQQWYFXRRLGTN-ROUUACIJSA-N 0 3 423.561 2.855 50 0 HFAAHN O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006937292 569185202 /nfs/dbraw/zinc/18/52/02/569185202.db2.gz PUVTXYDNZGBQPV-UHFFFAOYSA-N 0 3 415.497 2.659 50 0 HFAAHN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000036589818 569204321 /nfs/dbraw/zinc/20/43/21/569204321.db2.gz WLSVWHPHNLEDAF-OAQYLSRUSA-N 0 3 420.513 2.948 50 0 HFAAHN CCCCOc1ccc(C(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1 ZINC000036708063 569222036 /nfs/dbraw/zinc/22/20/36/569222036.db2.gz HNNAJZFHADJDHW-UHFFFAOYSA-N 0 3 413.522 2.642 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000036713673 569224448 /nfs/dbraw/zinc/22/44/48/569224448.db2.gz AMLOOJURNWVGRS-UHFFFAOYSA-N 0 3 405.564 2.526 50 0 HFAAHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC000065329566 569224814 /nfs/dbraw/zinc/22/48/14/569224814.db2.gz WTVJNXNDTHORPK-UHFFFAOYSA-N 0 3 412.465 2.616 50 0 HFAAHN Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3O)CC1)CCCC2 ZINC000077292695 569283672 /nfs/dbraw/zinc/28/36/72/569283672.db2.gz JPJZOAXKSNJOGJ-UHFFFAOYSA-N 0 3 413.493 2.870 50 0 in-vitro HFAAHN CC[C@H](C)[C@@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000252694125 569320190 /nfs/dbraw/zinc/32/01/90/569320190.db2.gz IBXANRPQRNBPCR-JSFVJHESSA-N 0 3 403.482 2.653 50 0 biogenic HFAAHN COc1ccc([C@@H](CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)N(C)C)cc1 ZINC000017913245 569375202 /nfs/dbraw/zinc/37/52/02/569375202.db2.gz NJNWJRRXFDKSJT-QGZVFWFLSA-N 0 3 414.531 2.503 50 0 HFAAHN COc1ccc([C@H](CNC(=O)COc2ccc3c(C)cc(=O)oc3c2)N(C)C)cc1 ZINC000013041343 569408000 /nfs/dbraw/zinc/40/80/00/569408000.db2.gz AXFDYKKQLQYVIE-FQEVSTJZSA-N 0 3 410.470 2.908 50 0 HFAAHN CCc1ccccc1N1C[C@H](C(=O)N(C)CCCN(C)Cc2ccncc2)CC1=O ZINC000328591871 569415100 /nfs/dbraw/zinc/41/51/00/569415100.db2.gz ASOWYCJVOJHQLX-OAQYLSRUSA-N 0 3 408.546 2.977 50 0 HFAAHN COCCN(C)CC[C@H](NC(=O)C(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 ZINC000078751642 569420244 /nfs/dbraw/zinc/42/02/44/569420244.db2.gz FFEFZNILRFQXCA-NRFANRHFSA-N 0 3 411.502 2.654 50 0 HFAAHN COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000040018042 571139151 /nfs/dbraw/zinc/13/91/51/571139151.db2.gz XEHVGTSCNJTDLS-AZUAARDMSA-N 0 3 412.486 2.564 50 0 HFAAHN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000040070949 571151488 /nfs/dbraw/zinc/15/14/88/571151488.db2.gz DZPVJBIEXYLNNL-JOCHJYFZSA-N 0 3 420.561 2.873 50 0 HFAAHN CN(C)C[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H](O)c1ccccc1 ZINC000040103937 571164786 /nfs/dbraw/zinc/16/47/86/571164786.db2.gz ZIXUQTKFRRSBOV-AVRDEDQJSA-N 0 3 410.518 2.846 50 0 HFAAHN CCN1CCN(Cc2ccccc2CNC(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000040138944 571188862 /nfs/dbraw/zinc/18/88/62/571188862.db2.gz LSBCJIUKERUEKV-UHFFFAOYSA-N 0 3 424.545 2.610 50 0 HFAAHN O=C1C[C@@H](NCCc2ccccc2)C(=O)N1c1ccc(I)cc1 ZINC000009432067 571258465 /nfs/dbraw/zinc/25/84/65/571258465.db2.gz NDCWQGAGLYHFLR-MRXNPFEDSA-N 0 3 420.250 2.755 50 0 HFAAHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000010333510 571300520 /nfs/dbraw/zinc/30/05/20/571300520.db2.gz ULMRITQHRGEADF-IBGZPJMESA-N 0 3 405.454 2.926 50 0 HFAAHN Cc1ccccc1N(CC(=O)NC[C@H](c1ccccc1)N1CCCC1)S(C)(=O)=O ZINC000040162018 525217879 /nfs/dbraw/zinc/21/78/79/525217879.db2.gz OJFMXMGDDAYBJH-OAQYLSRUSA-N 0 3 415.559 2.714 50 0 HFAAHN CCCCNC(=O)N1C[C@@H](C(=O)NCCN2CCCC2)C[C@@H](c2ccccc2)C1 ZINC000034710430 557390370 /nfs/dbraw/zinc/39/03/70/557390370.db2.gz HOCZJKRAVBLSFU-RTWAWAEBSA-N 0 3 400.567 2.814 50 0 HFAAHN COc1ccc(CN2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000034916673 557482644 /nfs/dbraw/zinc/48/26/44/557482644.db2.gz KSNBRXQUNSPIEW-NRFANRHFSA-N 0 3 421.541 2.825 50 0 HFAAHN COc1ccc(OCC(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000004745848 557591936 /nfs/dbraw/zinc/59/19/36/557591936.db2.gz YOHQDYZWNJEKCU-UHFFFAOYSA-N 0 3 423.557 2.883 50 0 HFAAHN CCc1ccc(CN2CCc3nnc([C@H](CC(C)C)NC(=O)COC)n3CC2)cc1 ZINC000019744832 558265230 /nfs/dbraw/zinc/26/52/30/558265230.db2.gz MIIFBBWZSATLIT-FQEVSTJZSA-N 0 3 413.566 2.749 50 0 HFAAHN O=C(c1cccs1)N1CCC(N[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000019890116 558302786 /nfs/dbraw/zinc/30/27/86/558302786.db2.gz QHJMPFZHLMMEQB-MRXNPFEDSA-N 0 3 417.918 2.928 50 0 HFAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccc4c(c3)OCO4)CC2)O1)c1cccnc1 ZINC000011973383 558305403 /nfs/dbraw/zinc/30/54/03/558305403.db2.gz KEQQRGXBKAIQOD-IBGZPJMESA-N 0 3 409.486 2.754 50 0 HFAAHN CCC(CC)CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000012002435 558308414 /nfs/dbraw/zinc/30/84/14/558308414.db2.gz DFPRGAFHBJJCKL-UHFFFAOYSA-N 0 3 401.530 2.613 50 0 HFAAHN Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(F)cc4)n3CC2)s1 ZINC000020920218 558423470 /nfs/dbraw/zinc/42/34/70/558423470.db2.gz QLQDCYGKLADGLX-UHFFFAOYSA-N 0 3 413.522 2.818 50 0 HFAAHN O=C(CCC1CCN(Cc2cnn(-c3ccccc3F)c2)CC1)N1CCOCC1 ZINC000012597583 558438507 /nfs/dbraw/zinc/43/85/07/558438507.db2.gz NJUABDJATGPSJB-UHFFFAOYSA-N 0 3 400.498 2.862 50 0 HFAAHN O=C(c1cccs1)[C@@H]1CCCN(C(=O)c2cn(CCN3CCCCC3)nn2)C1 ZINC000012597540 558438542 /nfs/dbraw/zinc/43/85/42/558438542.db2.gz RKUBJLJPEOFHBM-MRXNPFEDSA-N 0 3 401.536 2.561 50 0 HFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 ZINC000021795277 558449479 /nfs/dbraw/zinc/44/94/79/558449479.db2.gz QRAYYLDDPVIJSL-UHFFFAOYSA-N 0 3 416.913 2.629 50 0 HFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1C ZINC000021795252 558449710 /nfs/dbraw/zinc/44/97/10/558449710.db2.gz CENDGWQFHZPTJS-UHFFFAOYSA-N 0 3 410.522 2.593 50 0 HFAAHN O=C(/C=C/c1ccccc1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000022851274 558516780 /nfs/dbraw/zinc/51/67/80/558516780.db2.gz UYHUBDXQYVWXPY-ZJVFBWDJSA-N 0 3 419.569 2.522 50 0 HFAAHN COC(=O)c1ccc(NC(=S)N2CCCC[C@@H]2CCN2CCN(C)CC2)cc1 ZINC000022936589 558527160 /nfs/dbraw/zinc/52/71/60/558527160.db2.gz CCIVYOOQKBGIJU-LJQANCHMSA-N 0 3 404.580 2.662 50 0 HFAAHN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3cccnc3c1)CC2 ZINC000023129088 558536619 /nfs/dbraw/zinc/53/66/19/558536619.db2.gz OXWOKIBBEVFBLT-INIZCTEOSA-N 0 3 416.485 2.969 50 0 HFAAHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641295 558555437 /nfs/dbraw/zinc/55/54/37/558555437.db2.gz LXDNDTOOCAGKBV-OAHLLOKOSA-N 0 3 406.442 2.847 50 0 HFAAHN CC(C)c1ccc(CN[C@H]2C[C@H]3C(=O)N[C@@H](COCc4ccccc4)C(=O)N3C2)cc1 ZINC000014742126 558667385 /nfs/dbraw/zinc/66/73/85/558667385.db2.gz LILAGOIKUOKVBM-VABKMULXSA-N 0 3 421.541 2.584 50 0 HFAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014748330 558669938 /nfs/dbraw/zinc/66/99/38/558669938.db2.gz FNWAZQKJXKTEAF-LJQANCHMSA-N 0 3 422.529 2.916 50 0 HFAAHN CN1CCCN(c2ccc(CNC(=O)CCC(=O)c3ccc4c(c3)CCC4)cn2)CC1 ZINC000070037567 558702808 /nfs/dbraw/zinc/70/28/08/558702808.db2.gz CJEMIGLNDYSYEK-UHFFFAOYSA-N 0 3 420.557 2.992 50 0 HFAAHN CCOC(=O)C1C(CN2CCCCC2)=NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000029594513 558717584 /nfs/dbraw/zinc/71/75/84/558717584.db2.gz UBXYHWYNDUEBAY-QGZVFWFLSA-N 0 3 409.433 2.945 50 0 HFAAHN CCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1 ZINC000029608885 558717893 /nfs/dbraw/zinc/71/78/93/558717893.db2.gz VJNVZKCZOODMFE-OAQYLSRUSA-N 0 3 417.575 2.743 50 0 HFAAHN CS(=O)(=O)Nc1cccc(C(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000060240412 558782692 /nfs/dbraw/zinc/78/26/92/558782692.db2.gz TVUIGGGFZWISID-UHFFFAOYSA-N 0 3 407.561 2.762 50 0 HFAAHN O=C(CNCCOc1ccccc1F)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016695487 558801041 /nfs/dbraw/zinc/80/10/41/558801041.db2.gz CLOAMGJHTVGZAF-GOSISDBHSA-N 0 3 400.450 2.929 50 0 HFAAHN COc1cc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc(OC)c1OC ZINC000018240829 558834227 /nfs/dbraw/zinc/83/42/27/558834227.db2.gz IPXPTPVHAXTHJQ-SFHVURJKSA-N 0 3 423.469 2.658 50 0 HFAAHN CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)cc2)C1 ZINC000048276257 558843724 /nfs/dbraw/zinc/84/37/24/558843724.db2.gz VQGJKZJBDDDBGT-FQEVSTJZSA-N 0 3 403.486 2.552 50 0 HFAAHN CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)cc2)C1 ZINC000048276257 558843727 /nfs/dbraw/zinc/84/37/27/558843727.db2.gz VQGJKZJBDDDBGT-FQEVSTJZSA-N 0 3 403.486 2.552 50 0 HFAAHN CCN1CCN(C[C@H](O)COc2cccc(CNC3(c4ccccc4)CC3)c2)CC1 ZINC000019340313 558871339 /nfs/dbraw/zinc/87/13/39/558871339.db2.gz WDQCDQZOEDHFHI-QHCPKHFHSA-N 0 3 409.574 2.843 50 0 HFAAHN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCCCN3CCN(C)CC3)C2)s1 ZINC000033174071 558902360 /nfs/dbraw/zinc/90/23/60/558902360.db2.gz XUEZDSQLAKDWFT-GOSISDBHSA-N 0 3 415.607 2.575 50 0 HFAAHN O[C@@H]1CN(c2ncccc2Cl)CC[C@H]1N1CCN(CCc2ccccc2)CC1 ZINC000071764479 558910613 /nfs/dbraw/zinc/91/06/13/558910613.db2.gz ZQPKNCBMDBVPLV-NHCUHLMSSA-N 0 3 400.954 2.535 50 0 HFAAHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000058343520 558920697 /nfs/dbraw/zinc/92/06/97/558920697.db2.gz BXYHFSVTTLPZRP-OALUTQOASA-N 0 3 408.502 2.509 50 0 HFAAHN C[C@H]1CCCCN1CCNC(=O)CCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000033061964 558955671 /nfs/dbraw/zinc/95/56/71/558955671.db2.gz NZPDXMGNRRXTRV-AWEZNQCLSA-N 0 3 419.526 2.853 50 0 HFAAHN Cc1cc(C)cc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000065362601 558973381 /nfs/dbraw/zinc/97/33/81/558973381.db2.gz IRHYAXWCUMUYGB-UHFFFAOYSA-N 0 3 415.559 2.709 50 0 HFAAHN CN(c1cccc(C(=O)NC2CCN(C)CC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067338922 558986302 /nfs/dbraw/zinc/98/63/02/558986302.db2.gz KFOUDKUYDWKBEC-UHFFFAOYSA-N 0 3 421.950 2.989 50 0 HFAAHN Cc1ccccc1CN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000067602213 558987989 /nfs/dbraw/zinc/98/79/89/558987989.db2.gz HZOPNEZLCQTSTD-UHFFFAOYSA-N 0 3 415.559 2.785 50 0 HFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000067604978 558988816 /nfs/dbraw/zinc/98/88/16/558988816.db2.gz HHGSFCDMUYVQMM-UHFFFAOYSA-N 0 3 417.513 2.737 50 0 HFAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)cc1OC ZINC000023127632 559015978 /nfs/dbraw/zinc/01/59/78/559015978.db2.gz VVAMISCRBVGBMA-UHFFFAOYSA-N 0 3 404.532 2.894 50 0 HFAAHN Cc1cc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)nc2ccc(F)cc12 ZINC000091665301 559073005 /nfs/dbraw/zinc/07/30/05/559073005.db2.gz XMTRLKJPTBSDGX-GCJKJVERSA-N 0 3 400.542 2.897 50 0 HFAAHN Cc1cccc(N2CCN(CCC(=O)NCc3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000095371307 559080266 /nfs/dbraw/zinc/08/02/66/559080266.db2.gz DOVWJBRRYWSXRH-UHFFFAOYSA-N 0 3 404.518 2.609 50 0 HFAAHN OCCC[C@@H]1CN(Cc2cnc(-c3cccs3)nc2)CC[C@@H]1N1CCOCC1 ZINC000095370202 559080280 /nfs/dbraw/zinc/08/02/80/559080280.db2.gz OGDNCJCFONCBIA-MOPGFXCFSA-N 0 3 402.564 2.500 50 0 HFAAHN Cc1cc(C)c(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCCN(C)C)C3)no2)c(C)c1 ZINC000096210827 559101569 /nfs/dbraw/zinc/10/15/69/559101569.db2.gz BXKKNQHAOPCBLB-GOSISDBHSA-N 0 3 412.534 2.797 50 0 HFAAHN Cn1c(=O)cc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000005066612 559239926 /nfs/dbraw/zinc/23/99/26/559239926.db2.gz GWWAWKRBJWCJMQ-UHFFFAOYSA-N 0 3 405.498 2.698 50 0 HFAAHN CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2c(s1)c(OC)ccc2OC ZINC000005122200 559248599 /nfs/dbraw/zinc/24/85/99/559248599.db2.gz SBDFILQFMPKKPA-UHFFFAOYSA-N 0 3 421.519 2.877 50 0 HFAAHN CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2nccs2)c2c1CCCC2 ZINC000005254382 560551964 /nfs/dbraw/zinc/55/19/64/560551964.db2.gz UIULCUFMQRSULY-UHFFFAOYSA-N 0 3 421.592 2.651 50 0 HFAAHN O=C(NCCN1CCCCC1)Nc1cccc(NC(=O)NCCN2CCCCC2)c1 ZINC000005512501 560601257 /nfs/dbraw/zinc/60/12/57/560601257.db2.gz QHEXMYACQRQXAZ-UHFFFAOYSA-N 0 3 416.570 2.901 50 0 HFAAHN COc1ccccc1N1CCN(Cc2coc([O-])c(C[NH+]3CCCCC3)c2=O)CC1 ZINC000101374420 560793566 /nfs/dbraw/zinc/79/35/66/560793566.db2.gz PPRGRCNVDGDXRO-UHFFFAOYSA-N 0 3 413.518 2.662 50 0 HFAAHN CS(=O)(=O)Nc1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000047750555 568431024 /nfs/dbraw/zinc/43/10/24/568431024.db2.gz ZXMGALYZRCNQRA-UHFFFAOYSA-N 0 3 413.293 2.839 50 0 HFAAHN O=C1NCCN1c1ccc([C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCCN24)cc1 ZINC000012307673 568464716 /nfs/dbraw/zinc/46/47/16/568464716.db2.gz GEMJIAKVBXMBNI-PTLVVNQVSA-N 0 3 417.513 2.549 50 0 HFAAHN CN1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(N4CCSCC4)cc3)C2)CC1 ZINC000095454987 568616689 /nfs/dbraw/zinc/61/66/89/568616689.db2.gz FEYMUZBSZGXZSO-OAQYLSRUSA-N 0 3 417.623 2.874 50 0 HFAAHN CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NCc1cccc(OC)c1OC)C2 ZINC000020992287 568656057 /nfs/dbraw/zinc/65/60/57/568656057.db2.gz FRQMHSYYKKNMOI-MRXNPFEDSA-N 0 3 400.523 2.659 50 0 HFAAHN O=C(Nc1cccc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c1)NC1CC1 ZINC000096007054 568683171 /nfs/dbraw/zinc/68/31/71/568683171.db2.gz HVUTYLVYAQLACY-JOCHJYFZSA-N 0 3 422.529 2.857 50 0 HFAAHN CN(C)c1cnnc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000096098682 568689938 /nfs/dbraw/zinc/68/99/38/568689938.db2.gz NFDYWOXTRPNCES-UHFFFAOYSA-N 0 3 423.542 2.721 50 0 HFAAHN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002631663 568791146 /nfs/dbraw/zinc/79/11/46/568791146.db2.gz JWZSDEGUKINEGK-WOJBJXKFSA-N 0 3 403.544 2.529 50 0 HFAAHN Cn1ncc2c3ccccc3n(CCCC(=O)NCCN3CCCCCC3)c2c1=O ZINC000035372383 569033844 /nfs/dbraw/zinc/03/38/44/569033844.db2.gz AVNDCERNZGRNAS-UHFFFAOYSA-N 0 3 409.534 2.661 50 0 HFAAHN CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000229540799 569040530 /nfs/dbraw/zinc/04/05/30/569040530.db2.gz BLKBCYNOKZLOQH-FYYLOGMGSA-N 0 3 420.557 2.535 50 0 HFAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c(OC)c1 ZINC000023127722 569047091 /nfs/dbraw/zinc/04/70/91/569047091.db2.gz ZRIYTWBNMXNRLJ-UHFFFAOYSA-N 0 3 410.561 2.956 50 0 HFAAHN Cc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)NCCN1CCCCCC1 ZINC000064817735 569101107 /nfs/dbraw/zinc/10/11/07/569101107.db2.gz BSCJSSUUEYHPEN-UHFFFAOYSA-N 0 3 409.534 2.587 50 0 HFAAHN CCS(=O)(=O)Oc1ccc(Cl)cc1CN(CCN(C)C)C(=O)C1CCC1 ZINC000006766308 569114715 /nfs/dbraw/zinc/11/47/15/569114715.db2.gz VFSFQLFQUNTLFO-UHFFFAOYSA-N 0 3 402.944 2.759 50 0 HFAAHN COC(=O)c1c(C)nsc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065564708 569234318 /nfs/dbraw/zinc/23/43/18/569234318.db2.gz XCLWVEZVRPPVTO-CHWSQXEVSA-N 0 3 410.540 2.591 50 0 HFAAHN Cc1ccc(CNC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1 ZINC000013579100 569256351 /nfs/dbraw/zinc/25/63/51/569256351.db2.gz PMWKXHJTIABNJF-IBGZPJMESA-N 0 3 406.515 2.798 50 0 HFAAHN Cc1ccncc1C(=O)N1CCC2(CC1)C[C@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000581820143 569320982 /nfs/dbraw/zinc/32/09/82/569320982.db2.gz UMZZNWDBXDHYJU-OAQYLSRUSA-N 0 3 414.594 2.817 50 0 HFAAHN CCCN1CCN([C@@H](C)CCCN(C(=O)CNC(=O)CCC(C)C)C2CC2)CC1 ZINC000078950827 569422061 /nfs/dbraw/zinc/42/20/61/569422061.db2.gz BWAZSNJYRTZHAD-FQEVSTJZSA-N 0 3 408.631 2.726 50 0 HFAAHN NC(=O)C1(N2CCCCC2)CCN(c2nccn3nc(-c4cccs4)cc23)CC1 ZINC000067285201 571063942 /nfs/dbraw/zinc/06/39/42/571063942.db2.gz AHEMUSFOEKPZBU-UHFFFAOYSA-N 0 3 410.547 2.768 50 0 HFAAHN CCOC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@@H]1c1ccccc1OCC ZINC000067286795 571064963 /nfs/dbraw/zinc/06/49/63/571064963.db2.gz AVKUQQPAVJOEHQ-HXUWFJFHSA-N 0 3 401.507 2.988 50 0 HFAAHN CN(C)C[C@@H](CNC(=O)Nc1ccccc1N1CCCC1=O)[C@@H](O)c1ccccc1 ZINC000040104187 571164992 /nfs/dbraw/zinc/16/49/92/571164992.db2.gz WDWHNWKKIORFPD-GCJKJVERSA-N 0 3 410.518 2.846 50 0 HFAAHN CCN1CCC(NC(=O)CSc2nnc(NCc3ccc(F)cc3)s2)CC1 ZINC000010344801 571301183 /nfs/dbraw/zinc/30/11/83/571301183.db2.gz HKJHSUWRYRAYIN-UHFFFAOYSA-N 0 3 409.556 2.982 50 0 HFAAHN CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3[nH]nc4ncccc43)c(F)cc2Cl)CCN1 ZINC000095585814 132227060 /nfs/dbraw/zinc/22/70/60/132227060.db2.gz HXWARSZQGAFXJM-MGPUTAFESA-N 0 3 418.904 2.998 50 0 HFAAHN CC(C)[C@@](C)(O)[C@@H]1CN(c2nc(-c3n[nH]c4ncccc43)c(F)cc2Cl)CCN1 ZINC000095585814 132227061 /nfs/dbraw/zinc/22/70/61/132227061.db2.gz HXWARSZQGAFXJM-MGPUTAFESA-N 0 3 418.904 2.998 50 0 HFAAHN CCNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2)CN1Cc1ccncc1 ZINC000032573482 521744820 /nfs/dbraw/zinc/74/48/20/521744820.db2.gz RBXDVFXYBRHUDP-MOPGFXCFSA-N 0 3 406.452 2.969 50 0 HFAAHN Cc1ccc(CN2CC[C@@H](CNC(=O)Cn3c4ccccc4nc(C)c3=O)C2)cc1 ZINC000032974635 524467932 /nfs/dbraw/zinc/46/79/32/524467932.db2.gz VDKJRIDVRCHYPV-FQEVSTJZSA-N 0 3 404.514 2.652 50 0 HFAAHN COCCN(C[C@H]1CN(Cc2ccco2)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740633 557444094 /nfs/dbraw/zinc/44/40/94/557444094.db2.gz YMXJBGWYBUVNLF-NQIIRXRSSA-N 0 3 416.518 2.625 50 0 HFAAHN COc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc(NC(C)=O)cc4)C3=O)c2c1 ZINC000010494305 558258513 /nfs/dbraw/zinc/25/85/13/558258513.db2.gz XZPUAAXUNKTWKV-OAQYLSRUSA-N 0 3 420.469 2.599 50 0 HFAAHN CN(C)CCN1C(=O)C[C@](CC(=O)N2CCCCCC2)(c2ccccc2Cl)C1=O ZINC000011783276 558274989 /nfs/dbraw/zinc/27/49/89/558274989.db2.gz ZKXVFYRRMQAGGO-JOCHJYFZSA-N 0 3 419.953 2.691 50 0 HFAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000019782424 558281713 /nfs/dbraw/zinc/28/17/13/558281713.db2.gz AUNMDPWWHUFEKV-GOSISDBHSA-N 0 3 400.862 2.981 50 0 HFAAHN O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000011954625 558303403 /nfs/dbraw/zinc/30/34/03/558303403.db2.gz IYOVLFUMEWCTFC-FQEVSTJZSA-N 0 3 404.514 2.610 50 0 HFAAHN COCCCN1C(=O)C(CC(=O)Nc2cccc(OC)c2)n2c3ccccc3nc21 ZINC000020103412 558332568 /nfs/dbraw/zinc/33/25/68/558332568.db2.gz RVGHOZYAZDZZFW-LJQANCHMSA-N 0 3 408.458 2.998 50 0 HFAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc(F)ccc3-n3cccn3)C2)CC1 ZINC000020363515 558358272 /nfs/dbraw/zinc/35/82/72/558358272.db2.gz NCRSEOPRTDDGBB-HXUWFJFHSA-N 0 3 415.513 2.750 50 0 HFAAHN COc1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)cc2c1OCO2 ZINC000020773939 558411484 /nfs/dbraw/zinc/41/14/84/558411484.db2.gz ZPLYXMYCHHHAMT-NRFANRHFSA-N 0 3 412.530 2.925 50 0 HFAAHN COC(=O)Cn1c2cc(C)ccc2cc(CN2CCN(C3CCCCC3)CC2)c1=O ZINC000020784418 558413413 /nfs/dbraw/zinc/41/34/13/558413413.db2.gz DBWAFJYIKXPABA-UHFFFAOYSA-N 0 3 411.546 2.933 50 0 HFAAHN O=C(Nc1ccnn1C1CCN(Cc2ccc3nonc3c2)CC1)c1cccnc1 ZINC000012454315 558416667 /nfs/dbraw/zinc/41/66/67/558416667.db2.gz VHZCMXWJGHWVNX-UHFFFAOYSA-N 0 3 403.446 2.904 50 0 HFAAHN COc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)cc1C ZINC000020996989 558427177 /nfs/dbraw/zinc/42/71/77/558427177.db2.gz LMSYKYOGOYMSSI-UHFFFAOYSA-N 0 3 423.517 2.527 50 0 HFAAHN Cc1cccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)c1 ZINC000020997375 558427213 /nfs/dbraw/zinc/42/72/13/558427213.db2.gz AABUPYYWHJKQFD-LJQANCHMSA-N 0 3 419.529 2.901 50 0 HFAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)CCN2CCCCO2)cc1 ZINC000012754878 558459923 /nfs/dbraw/zinc/45/99/23/558459923.db2.gz UCHKJBALWUCOTF-UHFFFAOYSA-N 0 3 403.567 2.826 50 0 HFAAHN CCCCc1ccc(-n2nnnc2SCC(=O)NC2CCN(CC)CC2)cc1 ZINC000012986629 558495507 /nfs/dbraw/zinc/49/55/07/558495507.db2.gz GJWPAEUVMGKVOQ-UHFFFAOYSA-N 0 3 402.568 2.698 50 0 HFAAHN C[C@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NCCc1ccc(F)cc1 ZINC000022793354 558512181 /nfs/dbraw/zinc/51/21/81/558512181.db2.gz NAZNBYUCIIUVBN-JTSKRJEESA-N 0 3 417.500 2.675 50 0 HFAAHN Cc1ccc(CN2CCCN(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000022832056 558515526 /nfs/dbraw/zinc/51/55/26/558515526.db2.gz DRZDBMAIBKVYEV-UHFFFAOYSA-N 0 3 415.559 2.545 50 0 HFAAHN COC(=O)c1ccc(NC(=S)N2CCCC[C@H]2CCN2CCN(C)CC2)cc1 ZINC000022936592 558527134 /nfs/dbraw/zinc/52/71/34/558527134.db2.gz CCIVYOOQKBGIJU-IBGZPJMESA-N 0 3 404.580 2.662 50 0 HFAAHN CCC[C@@H]1NC(=O)N(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000023256915 558546338 /nfs/dbraw/zinc/54/63/38/558546338.db2.gz IJWLCUOKSPWAKC-KRWDZBQOSA-N 0 3 412.456 2.891 50 0 HFAAHN COc1cccc(CN[C@H]2CCc3c(c(C(=O)N4CCCCC4)nn3C)C2)c1OC ZINC000014741534 558667201 /nfs/dbraw/zinc/66/72/01/558667201.db2.gz HBAKULJGKXYAFZ-KRWDZBQOSA-N 0 3 412.534 2.711 50 0 HFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N(C)Cc1ccco1)C2 ZINC000014750001 558670594 /nfs/dbraw/zinc/67/05/94/558670594.db2.gz HDKHKYXASQKAGU-QGZVFWFLSA-N 0 3 400.523 2.594 50 0 HFAAHN Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@@H](Cc1ccccc1)N(C)C)C2=O ZINC000027584317 558676371 /nfs/dbraw/zinc/67/63/71/558676371.db2.gz KFISQVVMBCWZHY-LJQANCHMSA-N 0 3 407.514 2.660 50 0 HFAAHN COCC(=O)N[C@@H](c1nnc2n1CCN(Cc1cccc3ccccc31)CC2)C(C)C ZINC000014882888 558676732 /nfs/dbraw/zinc/67/67/32/558676732.db2.gz GIKOHBGOYMCUHW-HSZRJFAPSA-N 0 3 421.545 2.949 50 0 HFAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCCN2CCCC2=O)C1 ZINC000014959718 558683654 /nfs/dbraw/zinc/68/36/54/558683654.db2.gz FCMTUNKNNRMJLB-HXUWFJFHSA-N 0 3 415.578 2.811 50 0 HFAAHN Cc1cc(CNC(=O)c2c(=O)cc(C)n(CCN(C)C)c2CCc2ccccc2)on1 ZINC000015000243 558697432 /nfs/dbraw/zinc/69/74/32/558697432.db2.gz WDLACSFSQFTTHE-UHFFFAOYSA-N 0 3 422.529 2.730 50 0 HFAAHN COc1cc(CN(C)Cc2cccnc2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000015070680 558712590 /nfs/dbraw/zinc/71/25/90/558712590.db2.gz ABZYDPZFFPYBQF-HXUWFJFHSA-N 0 3 417.575 2.511 50 0 HFAAHN Cc1nn2c(ncc(C(=O)NCCCN3CCN(C)CC3)c2C)c1-c1ccc(F)cc1 ZINC000022937384 558724883 /nfs/dbraw/zinc/72/48/83/558724883.db2.gz HFYKWCXQJPGJTP-UHFFFAOYSA-N 0 3 424.524 2.520 50 0 HFAAHN CN(C)CCNC(=O)Cn1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)n1 ZINC000072291522 558725103 /nfs/dbraw/zinc/72/51/03/558725103.db2.gz SVEBEKLBZBQCLJ-UHFFFAOYSA-N 0 3 419.485 2.642 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2C)CC1 ZINC000016299918 558784625 /nfs/dbraw/zinc/78/46/25/558784625.db2.gz NGEATWSWZONDLK-UHFFFAOYSA-N 0 3 405.502 2.555 50 0 HFAAHN CCn1nc(C)c([C@@H](C)NCc2ccc(OCC(=O)N3CCOCC3)cc2)c1C ZINC000055244954 558877325 /nfs/dbraw/zinc/87/73/25/558877325.db2.gz IIEDIYLTFIIGIH-MRXNPFEDSA-N 0 3 400.523 2.608 50 0 HFAAHN CN1CCCN(c2ccc(CNC(=O)Nc3ccc(-n4cccn4)c(F)c3)cn2)CC1 ZINC000058145806 558901871 /nfs/dbraw/zinc/90/18/71/558901871.db2.gz QUCNWPROKNVNBK-UHFFFAOYSA-N 0 3 423.496 2.870 50 0 HFAAHN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(CCCN2CCCC2=O)C1 ZINC000058179512 558910070 /nfs/dbraw/zinc/91/00/70/558910070.db2.gz IONWAIRYGPLRSG-CQSZACIVSA-N 0 3 409.328 2.507 50 0 HFAAHN O=C(NCc1cccnc1)C1CCN(C(=O)[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000060381622 558947983 /nfs/dbraw/zinc/94/79/83/558947983.db2.gz JCTRHUYONTXFSQ-QFIPXVFZSA-N 0 3 406.530 2.774 50 0 HFAAHN CCNc1cc(N2CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)nc(C)n1 ZINC000072433949 558979690 /nfs/dbraw/zinc/97/96/90/558979690.db2.gz MGGFFGYKXWGLAG-UHFFFAOYSA-N 0 3 400.483 2.588 50 0 HFAAHN CN1CCC(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000067603454 558988112 /nfs/dbraw/zinc/98/81/12/558988112.db2.gz SNSIHERVPWOBOM-UHFFFAOYSA-N 0 3 419.522 2.616 50 0 HFAAHN NC1(C(=O)N2CCN(c3nn4cc(-c5ccc(F)cc5)nc4s3)CC2)CCCC1 ZINC000097229017 559013253 /nfs/dbraw/zinc/01/32/53/559013253.db2.gz PPVIHBNATYVGDT-UHFFFAOYSA-N 0 3 414.510 2.517 50 0 HFAAHN CCCC[C@H]1CN(CC(=O)NC[C@@H]2CCN(CCOC)C2)Cc2ccccc2O1 ZINC000011870513 559264631 /nfs/dbraw/zinc/26/46/31/559264631.db2.gz OSFLDXAZVINGPV-FPOVZHCZSA-N 0 3 403.567 2.524 50 0 HFAAHN CCCC[C@@H]1CN(CC(=O)NC[C@@H]2CCN(CCOC)C2)Cc2ccccc2O1 ZINC000011870510 559264699 /nfs/dbraw/zinc/26/46/99/559264699.db2.gz OSFLDXAZVINGPV-PZJWPPBQSA-N 0 3 403.567 2.524 50 0 HFAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc(F)cc3)nc1=O)CCC2 ZINC000005254216 560551992 /nfs/dbraw/zinc/55/19/92/560551992.db2.gz XJWICLNCIDBOFA-UHFFFAOYSA-N 0 3 418.538 2.944 50 0 HFAAHN CN(C)CCN(Cc1cccnc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000047397841 560886646 /nfs/dbraw/zinc/88/66/46/560886646.db2.gz ZUTKGPCVDLUIGY-UHFFFAOYSA-N 0 3 406.494 2.666 50 0 HFAAHN CN(C)CCNC(=O)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000005207896 568417413 /nfs/dbraw/zinc/41/74/13/568417413.db2.gz ZMRMJOCGEVWGDQ-UHFFFAOYSA-N 0 3 401.816 2.860 50 0 HFAAHN CCCCN1C(=O)C[C@H](C(=O)NC2CCN(CC)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000022992163 568501040 /nfs/dbraw/zinc/50/10/40/568501040.db2.gz ZGMIUGPGIPEXQA-UNMCSNQZSA-N 0 3 401.551 2.985 50 0 HFAAHN C[C@@H]1C[C@@](O)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](C)CN1C ZINC000224777791 568596482 /nfs/dbraw/zinc/59/64/82/568596482.db2.gz URNGAGFSEVYAOW-VVZHRXSXSA-N 0 3 401.626 2.787 50 0 HFAAHN CCOc1cc(C(=O)N(C)C[C@H](O)CN2CCc3ccccc3CC2)ccc1OC ZINC000095446568 568612091 /nfs/dbraw/zinc/61/20/91/568612091.db2.gz SZCCVEYXGFOPIX-NRFANRHFSA-N 0 3 412.530 2.628 50 0 HFAAHN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000095461258 568620660 /nfs/dbraw/zinc/62/06/60/568620660.db2.gz XBAXIOADCZWVOV-UHFFFAOYSA-N 0 3 417.485 2.873 50 0 HFAAHN CO[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006413 568682598 /nfs/dbraw/zinc/68/25/98/568682598.db2.gz ATVZNUIDLGCRCU-OALUTQOASA-N 0 3 405.539 2.893 50 0 HFAAHN C[C@@H](NC1(CNC(=O)C2CN(C(=O)OC(C)(C)C)C2)CCOCC1)c1ccccc1 ZINC000096010507 568683756 /nfs/dbraw/zinc/68/37/56/568683756.db2.gz QWCWFLHKYGPRTL-QGZVFWFLSA-N 0 3 417.550 2.870 50 0 HFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000000970048 568758720 /nfs/dbraw/zinc/75/87/20/568758720.db2.gz LYLUJBCWPARIDH-FPOVZHCZSA-N 0 3 402.502 2.791 50 0 HFAAHN CC(C)[C@@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)N1CCc2ccccc2C1 ZINC000025539088 568775281 /nfs/dbraw/zinc/77/52/81/568775281.db2.gz ALHUZNVEFKTQCC-OAQYLSRUSA-N 0 3 415.559 2.871 50 0 HFAAHN CCCN(CCC)CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000058723440 568837004 /nfs/dbraw/zinc/83/70/04/568837004.db2.gz LXKZKMZRRZDWSM-UHFFFAOYSA-N 0 3 407.580 2.872 50 0 HFAAHN CC[C@H]1CN(CC(C)(C)O)[C@@H](CC)CN1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000230245769 568856514 /nfs/dbraw/zinc/85/65/14/568856514.db2.gz AYBBIUXAAWOESG-ROUUACIJSA-N 0 3 407.555 2.588 50 0 HFAAHN CCc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)N(C)C)cc1 ZINC000012749041 568935131 /nfs/dbraw/zinc/93/51/31/568935131.db2.gz LOGROYGKBQBHJL-GOSISDBHSA-N 0 3 423.966 2.843 50 0 HFAAHN COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)C3CCN(C)CC3)cc2)cc1 ZINC000006052002 568988157 /nfs/dbraw/zinc/98/81/57/568988157.db2.gz XREGFEJZPNCILH-UHFFFAOYSA-N 0 3 410.518 2.912 50 0 HFAAHN Cc1sc2ncn(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1C ZINC000016199617 569029754 /nfs/dbraw/zinc/02/97/54/569029754.db2.gz MUDHERXNZRVGPZ-UHFFFAOYSA-N 0 3 410.543 2.856 50 0 HFAAHN C[C@@H]1Sc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2NC1=O ZINC000006892807 569048719 /nfs/dbraw/zinc/04/87/19/569048719.db2.gz LNALZPIFEUIOAS-AWEZNQCLSA-N 0 3 409.577 2.758 50 0 HFAAHN CC[C@H](C)[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000245324871 569055746 /nfs/dbraw/zinc/05/57/46/569055746.db2.gz BHKTUHAQVLFBBP-VRZXOPLZSA-N 0 3 421.472 2.792 50 0 HFAAHN CN(Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(Cc3ccccc3)CC2)n1 ZINC000035926941 569066434 /nfs/dbraw/zinc/06/64/34/569066434.db2.gz QRJFXEXSJKUBPH-UHFFFAOYSA-N 0 3 403.530 2.724 50 0 HFAAHN CCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H](O)COCC ZINC000036151078 569100477 /nfs/dbraw/zinc/10/04/77/569100477.db2.gz ZKTBMICFAZJBFS-IBGZPJMESA-N 0 3 403.523 2.788 50 0 HFAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000006936773 569185076 /nfs/dbraw/zinc/18/50/76/569185076.db2.gz GUFWCNAWMMBOML-UHFFFAOYSA-N 0 3 422.485 2.534 50 0 HFAAHN CCc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(Cc1ccccc1)CC2 ZINC000065153490 569187510 /nfs/dbraw/zinc/18/75/10/569187510.db2.gz ARVPHSPPHGEPHB-UHFFFAOYSA-N 0 3 408.546 2.813 50 0 HFAAHN O=C(CN1N=C(c2ccccc2)CCC1=O)NCCCN1CCc2ccccc2C1 ZINC000004688143 569255518 /nfs/dbraw/zinc/25/55/18/569255518.db2.gz OKZBRMNNTXNDTN-UHFFFAOYSA-N 0 3 404.514 2.578 50 0 HFAAHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000089977217 569270417 /nfs/dbraw/zinc/27/04/17/569270417.db2.gz YJYREDMTHNNESK-MRXNPFEDSA-N 0 3 408.543 2.566 50 0 HFAAHN CC1CCN([C@@H](CNC(=O)N2CCN(c3ncccn3)CC2)c2cccs2)CC1 ZINC000017126291 569275208 /nfs/dbraw/zinc/27/52/08/569275208.db2.gz REKVFAWNSZPZLV-SFHVURJKSA-N 0 3 414.579 2.843 50 0 HFAAHN NC(=O)[C@@H]1CCCN(Cc2ccccc2NC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000252458359 569286577 /nfs/dbraw/zinc/28/65/77/569286577.db2.gz BXYHFSVTTLPZRP-RTBURBONSA-N 0 3 408.502 2.509 50 0 HFAAHN O=C(CN[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000252584940 569294522 /nfs/dbraw/zinc/29/45/22/569294522.db2.gz DXRXGRWYXJHXMC-ZJSXRUAMSA-N 0 3 422.573 2.698 50 0 HFAAHN C[C@@H](NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCCC1 ZINC000253406324 569365975 /nfs/dbraw/zinc/36/59/75/569365975.db2.gz YAYMLDODNYEWLD-OLMNPRSZSA-N 0 3 411.468 2.916 50 0 HFAAHN O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000039229364 571121897 /nfs/dbraw/zinc/12/18/97/571121897.db2.gz ZRVZAYCNPSNWPI-FQEVSTJZSA-N 0 3 416.481 2.891 50 0 HFAAHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000040018043 571139012 /nfs/dbraw/zinc/13/90/12/571139012.db2.gz XEHVGTSCNJTDLS-ICSRJNTNSA-N 0 3 412.486 2.564 50 0 HFAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H](O)c1ccccc1 ZINC000040103934 571164782 /nfs/dbraw/zinc/16/47/82/571164782.db2.gz ZIXUQTKFRRSBOV-XMSQKQJNSA-N 0 3 410.518 2.846 50 0 HFAAHN C[C@H]1CCCCN1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000035261157 571316652 /nfs/dbraw/zinc/31/66/52/571316652.db2.gz YWZNYNJDQGSVGC-HNNXBMFYSA-N 0 3 413.971 2.729 50 0 HFAAHN CCc1nn2c(nc(N3CCN(c4cc(C)nc5ccccc54)CC3)cc2=O)s1 ZINC000004178351 132272569 /nfs/dbraw/zinc/27/25/69/132272569.db2.gz YEUSJJGGEJOJAD-UHFFFAOYSA-N 0 3 406.515 2.897 50 0 HFAAHN Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000006802818 132317525 /nfs/dbraw/zinc/31/75/25/132317525.db2.gz QRBRYMOVCHQPKW-UHFFFAOYSA-N 0 3 424.570 2.918 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2C)CC1 ZINC000011323833 132347990 /nfs/dbraw/zinc/34/79/90/132347990.db2.gz KPAQQSUDNUDJER-UHFFFAOYSA-N 0 3 401.532 2.793 50 0 HFAAHN CN1CCN(c2ccc(C(=O)N[C@H]3CCCN(CCc4ccccc4)C3)cc2)CC1 ZINC000012449443 132360886 /nfs/dbraw/zinc/36/08/86/132360886.db2.gz ASKRDMROASVETA-QHCPKHFHSA-N 0 3 406.574 2.875 50 0 HFAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3ccc(OC)c(COC)c3)C2)CC1 ZINC000020600575 520962034 /nfs/dbraw/zinc/96/20/34/520962034.db2.gz YXUCNTVWBFPXCK-FQEVSTJZSA-N 0 3 405.539 2.580 50 0 HFAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(F)c2)CN1Cc1cccc(Cl)c1 ZINC000032565224 523914329 /nfs/dbraw/zinc/91/43/29/523914329.db2.gz XJZRWAPSQKVOTG-SFTDATJTSA-N 0 3 419.928 2.974 50 0 HFAAHN Cc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c(C)c1 ZINC000020600634 524476565 /nfs/dbraw/zinc/47/65/65/524476565.db2.gz BRVXGNANAGYNEA-UHFFFAOYSA-N 0 3 418.545 2.597 50 0 HFAAHN O=S(=O)(c1ccc(F)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000900261 557114257 /nfs/dbraw/zinc/11/42/57/557114257.db2.gz VFWJQQZEUARJDI-UHFFFAOYSA-N 0 3 417.550 2.797 50 0 HFAAHN NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000002349803 557339350 /nfs/dbraw/zinc/33/93/50/557339350.db2.gz AVUDCJNGPFWOHR-UHFFFAOYSA-N 0 3 413.349 2.738 50 0 HFAAHN CN(C)CCNC(=O)c1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000034668647 557362334 /nfs/dbraw/zinc/36/23/34/557362334.db2.gz ZVABCTFNCNPPDP-UHFFFAOYSA-N 0 3 400.954 2.954 50 0 HFAAHN CN(C)CCN(C[C@H]1CN(Cc2cccs2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691932 557372510 /nfs/dbraw/zinc/37/25/10/557372510.db2.gz RNEYKVNDBJWUST-LJQANCHMSA-N 0 3 405.539 2.792 50 0 HFAAHN COCCN(C[C@H]1CN(Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740549 557444064 /nfs/dbraw/zinc/44/40/64/557444064.db2.gz PLVKDHZHXBTYPY-WIYYLYMNSA-N 0 3 404.482 2.756 50 0 HFAAHN COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1 ZINC000003792990 557498767 /nfs/dbraw/zinc/49/87/67/557498767.db2.gz HJUAKZYKCANOOZ-OAHLLOKOSA-N 0 3 414.333 2.911 50 0 investigational HFAAHN Cc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 ZINC000019741066 558261797 /nfs/dbraw/zinc/26/17/97/558261797.db2.gz NHKRLBWZHJZZIL-LJQANCHMSA-N 0 3 419.529 2.901 50 0 HFAAHN Cc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCN(CCO)CC2)cc1 ZINC000019879856 558300543 /nfs/dbraw/zinc/30/05/43/558300543.db2.gz ANFADVVZWKNOQS-UHFFFAOYSA-N 0 3 403.530 2.874 50 0 HFAAHN C[C@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000019927504 558308148 /nfs/dbraw/zinc/30/81/48/558308148.db2.gz QRVTVRHQSMFYAM-HNAYVOBHSA-N 0 3 400.910 2.975 50 0 HFAAHN COc1ccccc1/C=C/CN1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1 ZINC000012034250 558311499 /nfs/dbraw/zinc/31/14/99/558311499.db2.gz INOZSPCKTNVZEK-JZLODUJNSA-N 0 3 421.501 2.942 50 0 HFAAHN COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3snnc3C)C2)cc1OC ZINC000012052674 558314610 /nfs/dbraw/zinc/31/46/10/558314610.db2.gz SDPAWRZMZCCVHY-MRXNPFEDSA-N 0 3 404.536 2.643 50 0 HFAAHN COCCNC(=O)CCC1CCN(Cc2cnn(-c3ccccc3OC)c2)CC1 ZINC000012076711 558320201 /nfs/dbraw/zinc/32/02/01/558320201.db2.gz DYRAHAGIRREXJW-UHFFFAOYSA-N 0 3 400.523 2.636 50 0 HFAAHN CN1CCCN(C(=O)c2nc3sccn3c2CNCC[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000020110063 558335334 /nfs/dbraw/zinc/33/53/34/558335334.db2.gz IZMGRFCBYIGYLQ-FGTMMUONSA-N 0 3 413.591 2.865 50 0 HFAAHN CC(C)[C@@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2 ZINC000012162020 558342090 /nfs/dbraw/zinc/34/20/90/558342090.db2.gz IFECHVVGWVEMHH-UYAOXDASSA-N 0 3 403.571 2.566 50 0 HFAAHN Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)s1 ZINC000020166965 558342945 /nfs/dbraw/zinc/34/29/45/558342945.db2.gz XUZIYTXDVCZTOG-VQIMIIECSA-N 0 3 417.579 2.556 50 0 HFAAHN C[C@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc3ncccc13)CC2 ZINC000020202858 558346037 /nfs/dbraw/zinc/34/60/37/558346037.db2.gz UHBVMLFFMFAQNI-INIZCTEOSA-N 0 3 416.485 2.969 50 0 HFAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc(F)ccc3-n3cccn3)C2)CC1 ZINC000020363517 558358206 /nfs/dbraw/zinc/35/82/06/558358206.db2.gz NCRSEOPRTDDGBB-FQEVSTJZSA-N 0 3 415.513 2.750 50 0 HFAAHN O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(C2CSCCSC2)C1 ZINC000012298927 558369090 /nfs/dbraw/zinc/36/90/90/558369090.db2.gz KEQQYIIGDCDSOQ-KRWDZBQOSA-N 0 3 400.635 2.667 50 0 HFAAHN COc1ccc(C(=O)NCCCn2ccnc2)cc1OC1CCN(C(C)C)CC1 ZINC000012301704 558371577 /nfs/dbraw/zinc/37/15/77/558371577.db2.gz ACIGXTODXSXKMG-UHFFFAOYSA-N 0 3 400.523 2.963 50 0 HFAAHN COCCN(C)Cc1c(C(=O)N2CCN(C3CCCCC3)CC2)nc2ccccn21 ZINC000012305156 558374310 /nfs/dbraw/zinc/37/43/10/558374310.db2.gz CVKJGLAKARHGMI-UHFFFAOYSA-N 0 3 413.566 2.503 50 0 HFAAHN COc1ccccc1OCC(=O)NC[C@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000012314150 558377847 /nfs/dbraw/zinc/37/78/47/558377847.db2.gz CRVJAVGYCFLXGC-MRXNPFEDSA-N 0 3 410.474 2.639 50 0 HFAAHN CCn1cc(CN2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)c(C)n1 ZINC000012440500 558411778 /nfs/dbraw/zinc/41/17/78/558411778.db2.gz PUDMUVNABBAMEZ-SFHVURJKSA-N 0 3 400.523 2.627 50 0 HFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000021793592 558448915 /nfs/dbraw/zinc/44/89/15/558448915.db2.gz YGTDYQUVPNZHKL-UHFFFAOYSA-N 0 3 404.312 2.576 50 0 HFAAHN COCCN1CCC(CN(C)C(=O)c2cc(COc3cccc(OC)c3)on2)CC1 ZINC000012709729 558451852 /nfs/dbraw/zinc/45/18/52/558451852.db2.gz KVFQZJGTGMJEBT-UHFFFAOYSA-N 0 3 417.506 2.693 50 0 HFAAHN Cc1c(NC(=O)[C@H](C)NC[C@@H](c2ccccc2)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000022037819 558459342 /nfs/dbraw/zinc/45/93/42/558459342.db2.gz BGLFCARUUVLGSQ-UWJYYQICSA-N 0 3 421.545 2.704 50 0 HFAAHN CC(=O)c1cccc(OC[C@H](O)CN[C@H](CN2CCOCC2)c2ccc(C)cc2)c1 ZINC000022929708 558523737 /nfs/dbraw/zinc/52/37/37/558523737.db2.gz IYLAVAHZJRLPOM-ISKFKSNPSA-N 0 3 412.530 2.600 50 0 HFAAHN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(C3CCCC3)CC1)C2 ZINC000023353708 558551139 /nfs/dbraw/zinc/55/11/39/558551139.db2.gz NLAYBSDNSLPXMT-HXUWFJFHSA-N 0 3 413.610 2.854 50 0 HFAAHN COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000023486703 558559920 /nfs/dbraw/zinc/55/99/20/558559920.db2.gz HSPHYQJDKGYQJT-FYYLOGMGSA-N 0 3 421.541 2.997 50 0 HFAAHN CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)C(C)C ZINC000024710237 558608447 /nfs/dbraw/zinc/60/84/47/558608447.db2.gz CDBGFVNQBYOKKE-KRWDZBQOSA-N 0 3 415.987 2.877 50 0 HFAAHN CCc1ccc([C@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)N(C)C)cc1 ZINC000025382999 558639348 /nfs/dbraw/zinc/63/93/48/558639348.db2.gz XVZSHETUZVZWLP-NRFANRHFSA-N 0 3 415.559 2.822 50 0 HFAAHN CCc1ccc([C@@H](CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)N(C)C)cc1 ZINC000025382995 558639376 /nfs/dbraw/zinc/63/93/76/558639376.db2.gz XVZSHETUZVZWLP-OAQYLSRUSA-N 0 3 415.559 2.822 50 0 HFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 ZINC000014531582 558656226 /nfs/dbraw/zinc/65/62/26/558656226.db2.gz GFBJCXUBKISHHN-LJQANCHMSA-N 0 3 414.525 2.798 50 0 HFAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C ZINC000014539932 558659400 /nfs/dbraw/zinc/65/94/00/558659400.db2.gz RKIMOFLZVKQOMT-IBGZPJMESA-N 0 3 416.566 2.804 50 0 HFAAHN Cc1ccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 ZINC000014989900 558693737 /nfs/dbraw/zinc/69/37/37/558693737.db2.gz SCAOANTYSWRDQM-UHFFFAOYSA-N 0 3 421.520 2.685 50 0 HFAAHN COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000015064479 558707297 /nfs/dbraw/zinc/70/72/97/558707297.db2.gz SMCJLNGYRMPHFK-HXUWFJFHSA-N 0 3 420.937 2.710 50 0 HFAAHN CCc1c(C(=O)NCC[C@@H]2CCCN2C)c(=O)cc(C)n1Cc1ccccc1OC ZINC000015071894 558713477 /nfs/dbraw/zinc/71/34/77/558713477.db2.gz ASAKIHBKHBYXPN-IBGZPJMESA-N 0 3 411.546 2.990 50 0 HFAAHN Cc1nn(Cc2ccccc2)c(C)c1CNCCCN1C(=O)NC2(CCCC2)C1=O ZINC000015184377 558727155 /nfs/dbraw/zinc/72/71/55/558727155.db2.gz SZXVCQNLZHNDEQ-UHFFFAOYSA-N 0 3 409.534 2.893 50 0 HFAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)n2c3ccccc3nc21 ZINC000030937505 558744595 /nfs/dbraw/zinc/74/45/95/558744595.db2.gz CAMFSFWKHKRFGN-IBGZPJMESA-N 0 3 408.458 2.998 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033018826 558834731 /nfs/dbraw/zinc/83/47/31/558834731.db2.gz DWCGKGBTYMZXMA-SFHVURJKSA-N 0 3 406.534 2.701 50 0 HFAAHN CN1CCC(CN(CCc2ccccc2)C(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000019299826 558866095 /nfs/dbraw/zinc/86/60/95/558866095.db2.gz NAQJLGAGLFPBCX-UHFFFAOYSA-N 0 3 404.514 2.950 50 0 HFAAHN Cc1cccc(CN2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)[C@@H](C)C2=O)c1 ZINC000055168717 558874983 /nfs/dbraw/zinc/87/49/83/558874983.db2.gz SZYBPBCJPPBLNY-KRWDZBQOSA-N 0 3 415.493 2.739 50 0 HFAAHN CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000004689440 558899328 /nfs/dbraw/zinc/89/93/28/558899328.db2.gz BSDFIWKZXGOOMK-LJQANCHMSA-N 0 3 401.463 2.509 50 0 HFAAHN CCN1CC(=O)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O ZINC000058213006 558912090 /nfs/dbraw/zinc/91/20/90/558912090.db2.gz OJDZYHPFVSVKOA-UHFFFAOYSA-N 0 3 412.456 2.892 50 0 HFAAHN O=C(NC[C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000058210836 558912237 /nfs/dbraw/zinc/91/22/37/558912237.db2.gz FOVLJFVOENWDEV-KRWDZBQOSA-N 0 3 417.550 2.938 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCN3CCCC[C@H]3C)CC2)cc1 ZINC000033254569 558918646 /nfs/dbraw/zinc/91/86/46/558918646.db2.gz RWVPLRGGDDTPFU-LJQANCHMSA-N 0 3 421.607 2.776 50 0 HFAAHN O=C1CCCN1c1ccc(S(=O)(=O)NC2(CN3CCCC3)CCCCC2)cc1 ZINC000004722279 558925748 /nfs/dbraw/zinc/92/57/48/558925748.db2.gz KRJXYSJXTBLMFO-UHFFFAOYSA-N 0 3 405.564 2.890 50 0 HFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000072139267 558929046 /nfs/dbraw/zinc/92/90/46/558929046.db2.gz DXDHLNTTXVLJSV-UHFFFAOYSA-N 0 3 419.327 2.968 50 0 HFAAHN CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000059850181 558939424 /nfs/dbraw/zinc/93/94/24/558939424.db2.gz UYULHYOIAZNEKC-KVDXNUTJSA-N 0 3 413.543 2.852 50 0 HFAAHN Cc1nn(CC(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000060169187 558941711 /nfs/dbraw/zinc/94/17/11/558941711.db2.gz DUYQQYILEYJZRN-UHFFFAOYSA-N 0 3 412.921 2.949 50 0 HFAAHN CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000019691204 558960450 /nfs/dbraw/zinc/96/04/50/558960450.db2.gz UIIIMQFYFTXLTD-MRXNPFEDSA-N 0 3 423.307 2.535 50 0 HFAAHN CN(C[C@@H]1CCCN(C)C1)C(=O)c1cc(-c2cnn(CCO)c2)nc2ccccc21 ZINC000063872561 558960475 /nfs/dbraw/zinc/96/04/75/558960475.db2.gz QXFVDOQFNMJBPP-QGZVFWFLSA-N 0 3 407.518 2.504 50 0 HFAAHN CN(C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)CN1Cc1ccc(F)cc1F ZINC000064131498 558962259 /nfs/dbraw/zinc/96/22/59/558962259.db2.gz VMEBJAPEADJESM-MJGOQNOKSA-N 0 3 420.529 2.773 50 0 HFAAHN COc1ccccc1N1CCN(c2ncccc2CN[C@H](C)Cn2cccn2)CC1 ZINC000067605257 558988748 /nfs/dbraw/zinc/98/87/48/558988748.db2.gz AOVXFPSCUGWBBR-LJQANCHMSA-N 0 3 406.534 2.792 50 0 HFAAHN COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000023127502 559015868 /nfs/dbraw/zinc/01/58/68/559015868.db2.gz LXYCITUTPVFPTH-UHFFFAOYSA-N 0 3 405.882 2.909 50 0 HFAAHN CC(C)(N)c1cn(C[C@@H]2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1 ZINC000082039520 559036115 /nfs/dbraw/zinc/03/61/15/559036115.db2.gz DTLUNBYKTSPNGG-NOCBQHASSA-N 0 3 400.571 2.862 50 0 HFAAHN COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(C3CCCCC3)CC2)c1 ZINC000004767778 559055238 /nfs/dbraw/zinc/05/52/38/559055238.db2.gz HUBJDBMGTOPWHY-UHFFFAOYSA-N 0 3 419.547 2.907 50 0 HFAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000095531207 559087103 /nfs/dbraw/zinc/08/71/03/559087103.db2.gz UQFAUZKHBPPTRI-FQEVSTJZSA-N 0 3 401.551 2.528 50 0 HFAAHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000050612289 559188662 /nfs/dbraw/zinc/18/86/62/559188662.db2.gz CSAHGKVEVDUFIQ-MRXNPFEDSA-N 0 3 403.523 2.722 50 0 HFAAHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3C[C@H](C)C[C@H](C)C3)ccc21 ZINC000004969213 559218926 /nfs/dbraw/zinc/21/89/26/559218926.db2.gz NPBLXSRNBIGGCO-CALCHBBNSA-N 0 3 407.580 2.632 50 0 HFAAHN O=C(c1ccccc1)N1C[C@@H](CNCc2cccc3c2OCCCO3)N2CC[C@H]1C2 ZINC000108455622 568419006 /nfs/dbraw/zinc/41/90/06/568419006.db2.gz YAVNECHBLAGAFF-LEWJYISDSA-N 0 3 407.514 2.536 50 0 HFAAHN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000109047140 568420908 /nfs/dbraw/zinc/42/09/08/568420908.db2.gz YFJKAOWTBVRELA-XHSDSOJGSA-N 0 3 415.625 2.982 50 0 HFAAHN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000109047140 568420910 /nfs/dbraw/zinc/42/09/10/568420910.db2.gz YFJKAOWTBVRELA-XHSDSOJGSA-N 0 3 415.625 2.982 50 0 HFAAHN CN1CCN(CCCNC(=O)Nc2cccnc2-n2cccn2)[C@H](c2ccccc2)C1 ZINC000048196559 568432331 /nfs/dbraw/zinc/43/23/31/568432331.db2.gz DKYMURWGBMPBJE-NRFANRHFSA-N 0 3 419.533 2.768 50 0 HFAAHN O=C(NC1CCN(C2CC2)CC1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000048189693 568432435 /nfs/dbraw/zinc/43/24/35/568432435.db2.gz UVBYWRMEAMTEBM-HNNXBMFYSA-N 0 3 409.452 2.797 50 0 HFAAHN COc1ccccc1-c1c(C)nn2c1nc(C)cc2SCC(=O)NCCN(C)C ZINC000006749964 568458349 /nfs/dbraw/zinc/45/83/49/568458349.db2.gz FJJPKLURAZTRBK-UHFFFAOYSA-N 0 3 413.547 2.792 50 0 HFAAHN COc1cc(CN2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)ccc1O ZINC000000819207 568496692 /nfs/dbraw/zinc/49/66/92/568496692.db2.gz MPSDINCJKVJKNX-UHFFFAOYSA-N 0 3 423.557 2.957 50 0 HFAAHN CCOc1cc(CN2CCC[C@@H](C(N)=O)C2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000095430331 568608829 /nfs/dbraw/zinc/60/88/29/568608829.db2.gz QPRHZUBIKWIECO-LJQANCHMSA-N 0 3 419.566 2.807 50 0 HFAAHN CS[C@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(C)cc2)C[C@@H]1N1CCCC1 ZINC000095939714 568661530 /nfs/dbraw/zinc/66/15/30/568661530.db2.gz GFJHVVZRIUTWCG-IRXDYDNUSA-N 0 3 417.604 2.580 50 0 HFAAHN O=C(CNC(=O)c1ccco1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057270788 568825517 /nfs/dbraw/zinc/82/55/17/568825517.db2.gz KHLLQYDVGAGLBM-UHFFFAOYSA-N 0 3 418.497 2.970 50 0 HFAAHN Cc1ccccc1CN1CCCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000052777203 568836375 /nfs/dbraw/zinc/83/63/75/568836375.db2.gz LNJWZCFERYXRLI-UHFFFAOYSA-N 0 3 416.525 2.953 50 0 HFAAHN CC[C@H]1CN(C(=O)Nc2ccc(-n3nccn3)cc2)[C@@H](CC)CN1CC(C)(C)O ZINC000230255721 568856870 /nfs/dbraw/zinc/85/68/70/568856870.db2.gz PJCJLBWSTCSOOH-ROUUACIJSA-N 0 3 400.527 2.745 50 0 HFAAHN O=C(Cc1c(F)cccc1Cl)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670448420 568919586 /nfs/dbraw/zinc/91/95/86/568919586.db2.gz ARINLJPOPIUHLY-AVBDTAHFSA-N 0 3 413.924 2.705 50 0 HFAAHN CCN(CC)[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1ccccc1 ZINC000012760398 568945194 /nfs/dbraw/zinc/94/51/94/568945194.db2.gz DDGHDQBPRXAIMV-GOSISDBHSA-N 0 3 409.939 2.800 50 0 HFAAHN COc1ccc([C@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)N(C)C)cc1 ZINC000012786380 568960219 /nfs/dbraw/zinc/96/02/19/568960219.db2.gz RFFQXTDUIVJMMR-QHCPKHFHSA-N 0 3 419.525 2.926 50 0 HFAAHN COc1cc(Nc2nc(C(=O)NCCN(C)C)cc3occc32)cc(OC)c1OC ZINC000085651322 569005868 /nfs/dbraw/zinc/00/58/68/569005868.db2.gz YAVMKJUEZQLBJU-UHFFFAOYSA-N 0 3 414.462 2.889 50 0 HFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)n1 ZINC000015838316 569013695 /nfs/dbraw/zinc/01/36/95/569013695.db2.gz KTIOYGWOGOQSNV-UHFFFAOYSA-N 0 3 420.311 2.703 50 0 HFAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 ZINC000090593636 569041640 /nfs/dbraw/zinc/04/16/40/569041640.db2.gz PNJDALFXKAIMQJ-YEJXKQKISA-N 0 3 421.409 2.951 50 0 HFAAHN CN(C)CCn1c2c3c(sc2c(=O)n(Cc2ccccc2)c1=O)CC(C)(C)OC3 ZINC000006759502 569113016 /nfs/dbraw/zinc/11/30/16/569113016.db2.gz BKANTUYVCGOOQW-UHFFFAOYSA-N 0 3 413.543 2.686 50 0 HFAAHN Cc1cc(-n2nnc(C(=O)NCCN3CCCCC3)c2-c2ccncc2)ccc1F ZINC000065083440 569172919 /nfs/dbraw/zinc/17/29/19/569172919.db2.gz BDHMZCIJUYZHNI-UHFFFAOYSA-N 0 3 408.481 2.993 50 0 HFAAHN CC[C@H]1CCCCN1CCNC(=O)Cn1c2cccnc2n(-c2ccccc2)c1=O ZINC000065202554 569195212 /nfs/dbraw/zinc/19/52/12/569195212.db2.gz XNMQXRBMJUIFDY-SFHVURJKSA-N 0 3 407.518 2.568 50 0 HFAAHN CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCCN3CC)C2)ncn1 ZINC000065242442 569204716 /nfs/dbraw/zinc/20/47/16/569204716.db2.gz DBTVTGAUTCUXIL-MOPGFXCFSA-N 0 3 402.587 2.896 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000065245228 569205106 /nfs/dbraw/zinc/20/51/06/569205106.db2.gz WAKNLWWSCDEJDY-PKOBYXMFSA-N 0 3 400.571 2.648 50 0 HFAAHN CN(CCc1ccncc1)C(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255940 569208000 /nfs/dbraw/zinc/20/80/00/569208000.db2.gz HQWQMFXYZWDPHK-JOCHJYFZSA-N 0 3 401.514 2.942 50 0 HFAAHN Cc1nn(C)c(C)c1CNC(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256342 569208382 /nfs/dbraw/zinc/20/83/82/569208382.db2.gz HVXAPAMWBXIHAF-OAQYLSRUSA-N 0 3 404.518 2.513 50 0 HFAAHN COc1cc2nc(C)c(NC[C@@H](O)CN3CCc4ccccc4C3)nc2cc1OC ZINC000170601986 569243404 /nfs/dbraw/zinc/24/34/04/569243404.db2.gz PYJADNQYVNGFSC-GOSISDBHSA-N 0 3 408.502 2.787 50 0 HFAAHN Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(C(C)C)CC2)CCO3)s1 ZINC000581819734 569320727 /nfs/dbraw/zinc/32/07/27/569320727.db2.gz GIXDIDSPUIVHAL-IBGZPJMESA-N 0 3 420.623 2.940 50 0 HFAAHN CN(CCCN1CCN(C)CC1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000078780603 569420438 /nfs/dbraw/zinc/42/04/38/569420438.db2.gz RSVGVOAUUQGYHY-UHFFFAOYSA-N 0 3 418.545 2.644 50 0 HFAAHN O=C(CCN1CCN(C[C@@H]2CCOC2)CC1)Nc1ccc(Br)cc1F ZINC000079020272 569424267 /nfs/dbraw/zinc/42/42/67/569424267.db2.gz ZMWCOKUJUOWCNM-AWEZNQCLSA-N 0 3 414.319 2.571 50 0 HFAAHN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCCN(C)C)cc1Cl ZINC000067245550 571053973 /nfs/dbraw/zinc/05/39/73/571053973.db2.gz LGDZNTFHAAFQDT-UHFFFAOYSA-N 0 3 415.968 2.826 50 0 HFAAHN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000067285875 571064732 /nfs/dbraw/zinc/06/47/32/571064732.db2.gz QWYSSANSESLCSU-FQEVSTJZSA-N 0 3 417.506 2.751 50 0 HFAAHN CCN1CCN(c2ccccc2NC(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1 ZINC000040103960 571164777 /nfs/dbraw/zinc/16/47/77/571164777.db2.gz JEDLRKTWPSAFLT-HXUWFJFHSA-N 0 3 417.598 2.697 50 0 HFAAHN CN1C(=O)N(CC(=O)N2C[C@H]3CCCN3Cc3ccccc32)C(=O)C12CCCCC2 ZINC000040146325 571196134 /nfs/dbraw/zinc/19/61/34/571196134.db2.gz WNJSGEDLVJQKNJ-GOSISDBHSA-N 0 3 410.518 2.595 50 0 HFAAHN O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000071846605 571303427 /nfs/dbraw/zinc/30/34/27/571303427.db2.gz UPOICJNSVKIVBZ-INIZCTEOSA-N 0 3 406.482 2.903 50 0 HFAAHN C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 ZINC000540634609 571317580 /nfs/dbraw/zinc/31/75/80/571317580.db2.gz SCKBOTGNFRIIMB-LPHOPBHVSA-N 0 3 416.547 2.851 50 0 HFAAHN CN(C)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000004823193 132289793 /nfs/dbraw/zinc/28/97/93/132289793.db2.gz SZZAFKXFAWHULP-UHFFFAOYSA-N 0 3 412.563 2.928 50 0 HFAAHN O=C(CCc1nnc(CCCc2ccccc2)o1)N1CCN(c2ccncc2)CC1 ZINC000012714768 132366177 /nfs/dbraw/zinc/36/61/77/132366177.db2.gz BYADOMLJFBNEIL-UHFFFAOYSA-N 0 3 405.502 2.921 50 0 HFAAHN CCOC(=O)[C@H]1CCCN(C2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)C1 ZINC000012716387 132366190 /nfs/dbraw/zinc/36/61/90/132366190.db2.gz JTURFYKVZJKCMU-KRWDZBQOSA-N 0 3 413.497 2.922 50 0 HFAAHN O=C([C@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCN(c2ccncc2)CC1 ZINC000012797909 132367385 /nfs/dbraw/zinc/36/73/85/132367385.db2.gz YWIDOCWYAQZAAB-IBGZPJMESA-N 0 3 400.482 2.937 50 0 HFAAHN CN1CCC(N2CCN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)CC1 ZINC000020536774 523771305 /nfs/dbraw/zinc/77/13/05/523771305.db2.gz XUKINPGAHZUJSA-FQEVSTJZSA-N 0 3 400.592 2.773 50 0 HFAAHN O=C(NCc1ccc(Cn2cncn2)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000032889766 526667371 /nfs/dbraw/zinc/66/73/71/526667371.db2.gz HTIVKCUKEBFYKM-UHFFFAOYSA-N 0 3 404.518 2.790 50 0 HFAAHN COc1cc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc(OC)c1OC ZINC000006754701 557719188 /nfs/dbraw/zinc/71/91/88/557719188.db2.gz IPXPTPVHAXTHJQ-GOSISDBHSA-N 0 3 423.469 2.658 50 0 HFAAHN CCOc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cc1 ZINC000011813205 558278029 /nfs/dbraw/zinc/27/80/29/558278029.db2.gz IHIYLARYSIQVOG-LEWJYISDSA-N 0 3 402.535 2.894 50 0 HFAAHN Cc1ccc([C@H](C)CCN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)o1 ZINC000011868274 558289963 /nfs/dbraw/zinc/28/99/63/558289963.db2.gz JMRZWNUUYJBBMM-MRXNPFEDSA-N 0 3 408.506 2.556 50 0 HFAAHN C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000019927495 558308079 /nfs/dbraw/zinc/30/80/79/558308079.db2.gz QRVTVRHQSMFYAM-BEFAXECRSA-N 0 3 400.910 2.975 50 0 HFAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)c3snnc3C)C2)cc1OC ZINC000012052677 558314616 /nfs/dbraw/zinc/31/46/16/558314616.db2.gz SDPAWRZMZCCVHY-INIZCTEOSA-N 0 3 404.536 2.643 50 0 HFAAHN CN1Cc2ccccc2C[C@H]1CNCc1c(C(=O)N2CCCC2)nc2ccccn21 ZINC000020364082 558358563 /nfs/dbraw/zinc/35/85/63/558358563.db2.gz BHRNUPTYGZIEPY-FQEVSTJZSA-N 0 3 403.530 2.717 50 0 HFAAHN COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4cnc(C)n4C)C3)C2=O)c1 ZINC000012307325 558375795 /nfs/dbraw/zinc/37/57/95/558375795.db2.gz JTSOFOPQPUJUQZ-QFIPXVFZSA-N 0 3 400.498 2.891 50 0 HFAAHN COc1cc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc2c1OCO2 ZINC000012465263 558420111 /nfs/dbraw/zinc/42/01/11/558420111.db2.gz TWEGTGDGYXIIQN-GOSISDBHSA-N 0 3 404.507 2.711 50 0 HFAAHN Cc1ccc(C)c(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c1 ZINC000020905779 558420792 /nfs/dbraw/zinc/42/07/92/558420792.db2.gz AMUWAVNCUGJBRX-GOSISDBHSA-N 0 3 404.518 2.839 50 0 HFAAHN Cc1cc(C)c(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1C ZINC000020910042 558422008 /nfs/dbraw/zinc/42/20/08/558422008.db2.gz ALRQIXCJEXXWHI-HXUWFJFHSA-N 0 3 419.595 2.508 50 0 HFAAHN COc1cccc2c1OCC(CN1CCC(CCC(=O)N3CCOCC3)CC1)=C2 ZINC000012612345 558438627 /nfs/dbraw/zinc/43/86/27/558438627.db2.gz PLTYOLOBODYPJE-UHFFFAOYSA-N 0 3 400.519 2.822 50 0 HFAAHN Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 ZINC000021795292 558449534 /nfs/dbraw/zinc/44/95/34/558449534.db2.gz OHCDVTBQBNYRTM-UHFFFAOYSA-N 0 3 410.522 2.593 50 0 HFAAHN CCc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)N(C)C)cc1 ZINC000012796727 558469305 /nfs/dbraw/zinc/46/93/05/558469305.db2.gz XZKMKCWTGREZQV-OAQYLSRUSA-N 0 3 417.575 2.840 50 0 HFAAHN CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 ZINC000023368036 558552830 /nfs/dbraw/zinc/55/28/30/558552830.db2.gz WAYITNZSRXLGMH-OAQYLSRUSA-N 0 3 400.567 2.593 50 0 HFAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014748331 558669980 /nfs/dbraw/zinc/66/99/80/558669980.db2.gz FNWAZQKJXKTEAF-IBGZPJMESA-N 0 3 422.529 2.916 50 0 HFAAHN CC(C)c1ccc(CN2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014958398 558683081 /nfs/dbraw/zinc/68/30/81/558683081.db2.gz OOVKUCMUSMVPRK-FQEVSTJZSA-N 0 3 419.595 2.706 50 0 HFAAHN NC(=O)[C@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000014967921 558686252 /nfs/dbraw/zinc/68/62/52/558686252.db2.gz SUKKHFVHJGQEET-KRWDZBQOSA-N 0 3 404.470 2.965 50 0 HFAAHN CN(CC12CC3CC(CC(C3)C1)C2)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000015068763 558711154 /nfs/dbraw/zinc/71/11/54/558711154.db2.gz FRUXCJLGZKDGEV-IXHQKZKNSA-N 0 3 404.576 2.569 50 0 HFAAHN CCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)CC1 ZINC000029608883 558717820 /nfs/dbraw/zinc/71/78/20/558717820.db2.gz VJNVZKCZOODMFE-NRFANRHFSA-N 0 3 417.575 2.743 50 0 HFAAHN C[C@H]1CN(CC2CCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CC2)C[C@H](C)O1 ZINC000072306966 558766316 /nfs/dbraw/zinc/76/63/16/558766316.db2.gz VWAYSZRXUXPMPQ-IRXDYDNUSA-N 0 3 409.571 2.591 50 0 HFAAHN O=C(NCCCN1CCc2ccccc2C1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000046239139 558770673 /nfs/dbraw/zinc/77/06/73/558770673.db2.gz MTQCTDHQTKLQJP-OAQYLSRUSA-N 0 3 409.555 2.766 50 0 HFAAHN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCN2CCCC2)s1 ZINC000032995383 558809495 /nfs/dbraw/zinc/80/94/95/558809495.db2.gz BSEGIJYSJKDMFE-UHFFFAOYSA-N 0 3 401.536 2.634 50 0 HFAAHN CCN(CC)c1ccc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(=N)oc2c1 ZINC000017089881 558818459 /nfs/dbraw/zinc/81/84/59/558818459.db2.gz QIHOGOVPZMYRGJ-UHFFFAOYSA-N 0 3 414.487 2.658 50 0 HFAAHN CCN1CCN(CC(=O)N[C@@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000039421036 558821012 /nfs/dbraw/zinc/82/10/12/558821012.db2.gz QCZIJXAQAUVFCU-HSZRJFAPSA-N 0 3 400.611 2.603 50 0 HFAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000018223085 558834257 /nfs/dbraw/zinc/83/42/57/558834257.db2.gz MQSLGXXTYFEZEA-FQEVSTJZSA-N 0 3 405.454 2.809 50 0 HFAAHN Cc1nnc(C(=O)Nc2cccc(C(=O)NCCN(C)Cc3ccccc3)c2)s1 ZINC000033022613 558837870 /nfs/dbraw/zinc/83/78/70/558837870.db2.gz YIVBAWRRNYAHGL-UHFFFAOYSA-N 0 3 409.515 2.961 50 0 HFAAHN COCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CCCC[C@@H]3C)c2)s1 ZINC000033027596 558850707 /nfs/dbraw/zinc/85/07/07/558850707.db2.gz KRBVOKIRCMNSAZ-AWEZNQCLSA-N 0 3 417.535 2.541 50 0 HFAAHN Cc1cc(N2CCC(C(=O)NCCN(C)C)CC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000033275014 559034549 /nfs/dbraw/zinc/03/45/49/559034549.db2.gz NGZKZPZRUBXOOZ-UHFFFAOYSA-N 0 3 424.524 2.738 50 0 HFAAHN COc1ccc(OCCN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1 ZINC000091807833 559073675 /nfs/dbraw/zinc/07/36/75/559073675.db2.gz SIJVSDFHFFLXTI-OAQYLSRUSA-N 0 3 402.535 2.958 50 0 HFAAHN Cc1cccc(-c2nn(Cc3ccccc3)cc2CNC[C@H](O)CN2CCOCC2)c1 ZINC000013987352 559130433 /nfs/dbraw/zinc/13/04/33/559130433.db2.gz SQDPZYNERKEELE-DEOSSOPVSA-N 0 3 420.557 2.690 50 0 HFAAHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN(C)Cc3ccccc3)ccc21 ZINC000004969197 559218884 /nfs/dbraw/zinc/21/88/84/559218884.db2.gz FCAQQDRFUHWDSK-UHFFFAOYSA-N 0 3 415.559 2.786 50 0 HFAAHN COCCN1CC[C@H](CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000078714427 560540397 /nfs/dbraw/zinc/54/03/97/560540397.db2.gz XZYWRDOKYHUVRZ-QGZVFWFLSA-N 0 3 400.523 2.877 50 0 HFAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3nc(C)cs3)nc1=O)CCC2 ZINC000005254249 560552033 /nfs/dbraw/zinc/55/20/33/560552033.db2.gz QIXIKAWEYGQFII-UHFFFAOYSA-N 0 3 421.592 2.570 50 0 HFAAHN CN(C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)C1CCN(C)CC1 ZINC000005304835 560563110 /nfs/dbraw/zinc/56/31/10/560563110.db2.gz BSNIHCZUPOQVFG-UHFFFAOYSA-N 0 3 408.477 2.750 50 0 HFAAHN C[C@H](NC[C@H](O)COc1c(Cl)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000215871007 560641932 /nfs/dbraw/zinc/64/19/32/560641932.db2.gz KWFNBTWRALAWBZ-AAEUAGOBSA-N 0 3 419.330 2.731 50 0 HFAAHN CN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCCN12 ZINC000033821720 568521405 /nfs/dbraw/zinc/52/14/05/568521405.db2.gz INAWKYYRGFLTDR-FDGPYGQJSA-N 0 3 401.466 2.532 50 0 HFAAHN COCO[C@@H]1CCN(Cc2ccccc2)[C@@H]1[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1 ZINC000601014253 568587398 /nfs/dbraw/zinc/58/73/98/568587398.db2.gz CTLIOWSDMFXLDV-MJCUULBUSA-N 0 3 421.534 2.922 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)CC1 ZINC000020237838 568595652 /nfs/dbraw/zinc/59/56/52/568595652.db2.gz ILKVNOVNKHJFNM-UHFFFAOYSA-N 0 3 412.559 2.511 50 0 HFAAHN O=S(=O)(CCc1ccccc1)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000095402883 568605435 /nfs/dbraw/zinc/60/54/35/568605435.db2.gz NFRKTSSEDMIDTK-JOCHJYFZSA-N 0 3 402.560 2.594 50 0 HFAAHN CN(C[C@@H](O)CN1CCc2ccccc2CC1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000095446571 568612082 /nfs/dbraw/zinc/61/20/82/568612082.db2.gz TZYHRQNHRRPWNH-OAQYLSRUSA-N 0 3 422.504 2.750 50 0 HFAAHN CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CC1 ZINC000225399593 568634337 /nfs/dbraw/zinc/63/43/37/568634337.db2.gz SCVXSFKSTHWECO-UHFFFAOYSA-N 0 3 401.532 2.678 50 0 HFAAHN COc1ccc(CC[C@@H](C)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000095945436 568663257 /nfs/dbraw/zinc/66/32/57/568663257.db2.gz ZQCWBJFFOHIOAX-MRXNPFEDSA-N 0 3 404.532 2.688 50 0 HFAAHN Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCCN(C)Cc1ccccc1 ZINC000021148416 568672147 /nfs/dbraw/zinc/67/21/47/568672147.db2.gz CSMWRSZITIUVFN-UHFFFAOYSA-N 0 3 412.559 2.775 50 0 HFAAHN CC[C@@H](O)CN1CCC(NC(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000095996529 568679138 /nfs/dbraw/zinc/67/91/38/568679138.db2.gz FJODBFLLYJXLFX-CYBMUJFWSA-N 0 3 400.317 2.815 50 0 HFAAHN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)N2CCC(N3CCCCC3)CC2)o1 ZINC000096379563 568741205 /nfs/dbraw/zinc/74/12/05/568741205.db2.gz NHFAPEWCRLXKFE-UHFFFAOYSA-N 0 3 407.540 2.629 50 0 HFAAHN CC1=C(C(=O)NCCCOC(C)C)C2(CCN(Cc3ccccc3)CC2)OC1=O ZINC000021868342 568756093 /nfs/dbraw/zinc/75/60/93/568756093.db2.gz OUFQBFAGEFYEDV-UHFFFAOYSA-N 0 3 400.519 2.826 50 0 biogenic HFAAHN COc1cc2c(cc1OC)CN(C(=O)CN1CCN(CCC(C)(C)C)CC1)CC2 ZINC000055935218 568784632 /nfs/dbraw/zinc/78/46/32/568784632.db2.gz MQDMAEQARPIXKA-UHFFFAOYSA-N 0 3 403.567 2.642 50 0 HFAAHN Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NC2CCN(C3CC3)CC2)c(C)c1C ZINC000029093660 568819174 /nfs/dbraw/zinc/81/91/74/568819174.db2.gz RVWJSFMHBZJRHL-UHFFFAOYSA-N 0 3 421.607 2.640 50 0 HFAAHN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ccccn2)CC1 ZINC000299798161 568876442 /nfs/dbraw/zinc/87/64/42/568876442.db2.gz QDQIAPOWXFWXOZ-QFIPXVFZSA-N 0 3 413.493 2.534 50 0 HFAAHN COC(=O)c1cn(C2CCN(Cc3ccccc3Cl)CC2)cc2c(=O)[nH]nc1-2 ZINC000263586956 568881397 /nfs/dbraw/zinc/88/13/97/568881397.db2.gz AENVESJOKGLFQE-UHFFFAOYSA-N 0 3 400.866 2.953 50 0 HFAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1OC(F)F ZINC000670444509 568904896 /nfs/dbraw/zinc/90/48/96/568904896.db2.gz YTYVHOQJJWTENG-VRVFXRSRSA-N 0 3 413.468 2.585 50 0 HFAAHN CCc1ccc([C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC)c2)N(C)C)cc1 ZINC000012749048 568935163 /nfs/dbraw/zinc/93/51/63/568935163.db2.gz LOGROYGKBQBHJL-SFHVURJKSA-N 0 3 423.966 2.843 50 0 HFAAHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000008130558 568975176 /nfs/dbraw/zinc/97/51/76/568975176.db2.gz RNAOMVJISVVYGV-KRWDZBQOSA-N 0 3 410.518 2.674 50 0 HFAAHN COc1cc(CNCCNC(C)=O)ccc1OC[C@@H](O)c1cc(C)c(C)cc1C ZINC000008395467 568999417 /nfs/dbraw/zinc/99/94/17/568999417.db2.gz DZLMWGTZHIFNCV-OAQYLSRUSA-N 0 3 400.519 2.959 50 0 HFAAHN COc1ccc(CN2CCN(CCC(C)C)[C@H](CCO)C2)cc1Cn1cccn1 ZINC000104509819 569008891 /nfs/dbraw/zinc/00/88/91/569008891.db2.gz RLIKPWCLXRAUBV-JOCHJYFZSA-N 0 3 400.567 2.855 50 0 HFAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000016259404 569030317 /nfs/dbraw/zinc/03/03/17/569030317.db2.gz NSASTICUGXFBQW-NRFANRHFSA-N 0 3 402.498 2.910 50 0 HFAAHN C[C@H]1CCCCN1CCNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000035372390 569033911 /nfs/dbraw/zinc/03/39/11/569033911.db2.gz RDKWUPXFVLLDBR-KRWDZBQOSA-N 0 3 409.534 2.659 50 0 HFAAHN C[C@@H]1CCCCN1CCNC(=O)CC1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459730 569038166 /nfs/dbraw/zinc/03/81/66/569038166.db2.gz QMLLONXRQDUNTE-MRXNPFEDSA-N 0 3 413.609 2.530 50 0 HFAAHN CS[C@@H]1CN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C[C@@H]1N(C)C ZINC000089314139 569058386 /nfs/dbraw/zinc/05/83/86/569058386.db2.gz PCKJRJTWFDURHN-FUHWJXTLSA-N 0 3 403.573 2.796 50 0 HFAAHN Cc1ccc(C)c(CN(CCN2CCOCC2)C[C@@H](O)COCc2ccco2)c1 ZINC000036103806 569092278 /nfs/dbraw/zinc/09/22/78/569092278.db2.gz WFVQFNWEZGPOON-JOCHJYFZSA-N 0 3 402.535 2.608 50 0 HFAAHN COc1ccc(OC[C@@H](O)CN(CCN2CCOCC2)Cc2ccccc2C)cc1 ZINC000036104382 569092380 /nfs/dbraw/zinc/09/23/80/569092380.db2.gz OZOPOBLTFPQHJO-QFIPXVFZSA-N 0 3 414.546 2.578 50 0 HFAAHN CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 ZINC000006840346 569151234 /nfs/dbraw/zinc/15/12/34/569151234.db2.gz YBUPFRFWFRHHAR-OAQYLSRUSA-N 0 3 415.559 2.506 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2nc(-c3oc4c(cccc4C)c3C)no2)CC1 ZINC000065010114 569153462 /nfs/dbraw/zinc/15/34/62/569153462.db2.gz QXNXABWAANNVIQ-UHFFFAOYSA-N 0 3 411.506 2.857 50 0 HFAAHN Cc1nn(C)c(C)c1CNC(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255846 569207996 /nfs/dbraw/zinc/20/79/96/569207996.db2.gz JLPIZEMVPPFLHJ-NRFANRHFSA-N 0 3 404.518 2.513 50 0 HFAAHN Cc1nn(C)c(C)c1CNC(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065256013 569208299 /nfs/dbraw/zinc/20/82/99/569208299.db2.gz JRJKOOJMASXVLM-NRFANRHFSA-N 0 3 404.518 2.513 50 0 HFAAHN Cc1nn(C)c(C)c1CNC(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256341 569208435 /nfs/dbraw/zinc/20/84/35/569208435.db2.gz HVXAPAMWBXIHAF-NRFANRHFSA-N 0 3 404.518 2.513 50 0 HFAAHN CCCNc1cc(N2CCC(CCC(=O)NCCN3CCCCC3)CC2)ncn1 ZINC000065274204 569214956 /nfs/dbraw/zinc/21/49/56/569214956.db2.gz UVCQDQHYMASGGF-UHFFFAOYSA-N 0 3 402.587 2.897 50 0 HFAAHN CCCCN1CCN(C(=O)CCC2CCN(c3cc(NCC)ncn3)CC2)CC1 ZINC000065274254 569215067 /nfs/dbraw/zinc/21/50/67/569215067.db2.gz XDFDYNNVMFBWGL-UHFFFAOYSA-N 0 3 402.587 2.849 50 0 HFAAHN Cc1nc(NCCNC(=O)Nc2cccc(C(F)(F)F)c2)cc(N2CCOCC2)n1 ZINC000036708100 569222161 /nfs/dbraw/zinc/22/21/61/569222161.db2.gz RYMOPJSCTLALPK-UHFFFAOYSA-N 0 3 424.427 2.874 50 0 HFAAHN Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H](N2CCN(C(C)C)CC2)CCO3)s1 ZINC000581819735 569320774 /nfs/dbraw/zinc/32/07/74/569320774.db2.gz GIXDIDSPUIVHAL-LJQANCHMSA-N 0 3 420.623 2.940 50 0 HFAAHN O=C(c1cc(COc2cncc(Cl)c2)on1)N1CCC(N2CCSCC2)CC1 ZINC000012469483 569382593 /nfs/dbraw/zinc/38/25/93/569382593.db2.gz YQHJUTSCAJDBEE-UHFFFAOYSA-N 0 3 422.938 2.955 50 0 HFAAHN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000079061004 569426331 /nfs/dbraw/zinc/42/63/31/569426331.db2.gz SSAVQQRKRQELKK-OKZBNKHCSA-N 0 3 409.596 2.813 50 0 HFAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000670473295 571100403 /nfs/dbraw/zinc/10/04/03/571100403.db2.gz OMJYQVYSLCQBPX-IBGZPJMESA-N 0 3 406.534 2.588 50 0 HFAAHN COc1c2c(c(CNC(=O)COc3ccc(Cl)cc3)c3c1CN(C)CC3)OCO2 ZINC000008765122 571115266 /nfs/dbraw/zinc/11/52/66/571115266.db2.gz ZDYKPJBMOINNMM-UHFFFAOYSA-N 0 3 418.877 2.760 50 0 biogenic HFAAHN NC(=O)CCN(Cc1ccccc1)C(=O)CN1CCC(CCc2ccc(O)cc2)CC1 ZINC000040050466 571144007 /nfs/dbraw/zinc/14/40/07/571144007.db2.gz BPUOJJZHCMLMBO-UHFFFAOYSA-N 0 3 423.557 2.941 50 0 HFAAHN CN(C)C[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H](O)c1ccccc1 ZINC000040103936 571164752 /nfs/dbraw/zinc/16/47/52/571164752.db2.gz ZIXUQTKFRRSBOV-GCJKJVERSA-N 0 3 410.518 2.846 50 0 HFAAHN COc1ccccc1-c1cc(C(=O)N2CCCN(CCn3nc(C)cc3C)CC2)n[nH]1 ZINC000077100061 571311167 /nfs/dbraw/zinc/31/11/67/571311167.db2.gz ZAOAFQRPMIJGJU-UHFFFAOYSA-N 0 3 422.533 2.747 50 0 HFAAHN CN1c2ccccc2[C@]2(C1=O)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)C[C@H]1CCCN12 ZINC000057992663 571315441 /nfs/dbraw/zinc/31/54/41/571315441.db2.gz ZRQWUSXRRDLUOM-BUKPSGGLSA-N 0 3 419.481 2.753 50 0 HFAAHN CN1CCN(c2ccc(C(=O)N[C@@H]3CCCN(Cc4ccccc4F)C3)cc2)CC1 ZINC000011820496 132351187 /nfs/dbraw/zinc/35/11/87/132351187.db2.gz RANQSXNRTFHOMZ-OAQYLSRUSA-N 0 3 410.537 2.972 50 0 HFAAHN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N[C@H]2CCc3ccccc32)cc1 ZINC000024760837 519733103 /nfs/dbraw/zinc/73/31/03/519733103.db2.gz LJIMMWHXSRLXIY-QRWLVFNGSA-N 0 3 401.532 2.977 50 0 HFAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2)CN1Cc1ccc(Cl)cc1 ZINC000032578162 523915252 /nfs/dbraw/zinc/91/52/52/523915252.db2.gz VZTRFNYPTCMNDR-SFTDATJTSA-N 0 3 419.928 2.974 50 0 HFAAHN CC(C(=O)NC1CCCC1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000032929828 524165963 /nfs/dbraw/zinc/16/59/63/524165963.db2.gz NLBRSSHPIMWMDL-LBPRGKRZSA-N 0 3 401.912 2.863 50 0 HFAAHN COc1ccc([C@H]2CCCN2CCC(=O)N2CCN(c3ccccn3)CC2)c(OC)c1 ZINC000032776774 525412033 /nfs/dbraw/zinc/41/20/33/525412033.db2.gz OUNHDKOTXKIIOB-OAQYLSRUSA-N 0 3 424.545 2.975 50 0 HFAAHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000022894693 557847919 /nfs/dbraw/zinc/84/79/19/557847919.db2.gz OUPHJXVVVIOSPY-QFIPXVFZSA-N 0 3 406.530 2.887 50 0 HFAAHN Cc1ccc(CN2CCc3nnc([C@H](C)NC(=O)COc4ccccc4)n3CC2)cc1 ZINC000019741068 558261856 /nfs/dbraw/zinc/26/18/56/558261856.db2.gz NHKRLBWZHJZZIL-IBGZPJMESA-N 0 3 419.529 2.901 50 0 HFAAHN CN(Cc1cnn(C)c1)Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O ZINC000011880941 558295058 /nfs/dbraw/zinc/29/50/58/558295058.db2.gz MPEWTDKKMKGORM-UHFFFAOYSA-N 0 3 411.525 2.992 50 0 HFAAHN CN(CCC1CCOCC1)Cc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000012092370 558324510 /nfs/dbraw/zinc/32/45/10/558324510.db2.gz CVDFPDBWJMDWRC-OAQYLSRUSA-N 0 3 408.608 2.724 50 0 HFAAHN COc1ccccc1C(=O)NCc1nnc2n1CCN(Cc1ccc(C)cc1C)CC2 ZINC000020201079 558345607 /nfs/dbraw/zinc/34/56/07/558345607.db2.gz ITWRXCQHENQNEP-UHFFFAOYSA-N 0 3 419.529 2.892 50 0 HFAAHN COc1ccc(C(=O)N(C)CCc2cnn(C)c2)cc1OC1CCN(C(C)C)CC1 ZINC000012373262 558390685 /nfs/dbraw/zinc/39/06/85/558390685.db2.gz AHYGMWXZROFMNQ-UHFFFAOYSA-N 0 3 414.550 2.995 50 0 HFAAHN COc1ccc(CN(C)C(=O)c2cn(CCN3CCCCC3)nn2)c2cccnc12 ZINC000012438425 558409981 /nfs/dbraw/zinc/40/99/81/558409981.db2.gz ONEGDDIZWIPZOK-UHFFFAOYSA-N 0 3 408.506 2.593 50 0 HFAAHN CN(CCO)[C@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c32)C1 ZINC000012513033 558424238 /nfs/dbraw/zinc/42/42/38/558424238.db2.gz FDXPZKPSNVNAFV-AWEZNQCLSA-N 0 3 403.935 2.941 50 0 HFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000021795226 558449537 /nfs/dbraw/zinc/44/95/37/558449537.db2.gz UCBDASHTIPWXNI-UHFFFAOYSA-N 0 3 416.913 2.629 50 0 HFAAHN CCc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 ZINC000021795263 558449702 /nfs/dbraw/zinc/44/97/02/558449702.db2.gz RLGLEYCEPBLIDA-UHFFFAOYSA-N 0 3 410.522 2.538 50 0 HFAAHN Cc1c(NC(=O)[C@H](C)NC[C@H](c2ccccc2)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000022037826 558459492 /nfs/dbraw/zinc/45/94/92/558459492.db2.gz BGLFCARUUVLGSQ-LAUBAEHRSA-N 0 3 421.545 2.704 50 0 HFAAHN Cc1ccc(CN2CCCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CC2)cc1 ZINC000022995721 558529758 /nfs/dbraw/zinc/52/97/58/558529758.db2.gz AOHPZOWPVHQVAH-INIZCTEOSA-N 0 3 400.548 2.690 50 0 HFAAHN CCCN1CCN(Cc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)[nH]2)CC1 ZINC000023359112 558551402 /nfs/dbraw/zinc/55/14/02/558551402.db2.gz VPMXTSKUJOOJOA-UHFFFAOYSA-N 0 3 412.578 2.601 50 0 HFAAHN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CNC[C@@H](C(=O)NCCOc2ccccc2)C1 ZINC000014541634 558660176 /nfs/dbraw/zinc/66/01/76/558660176.db2.gz XDIOVZZKYBFPHG-VQTJNVASSA-N 0 3 407.514 2.535 50 0 HFAAHN COc1cc(CNCc2ccc(C)s2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000014949339 558680595 /nfs/dbraw/zinc/68/05/95/558680595.db2.gz ASDYEDOKKBDRIM-IBGZPJMESA-N 0 3 420.575 2.551 50 0 HFAAHN Cc1ccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)s1 ZINC000015001164 558697929 /nfs/dbraw/zinc/69/79/29/558697929.db2.gz HTFFRVSQIAOGBI-UHFFFAOYSA-N 0 3 409.559 2.987 50 0 HFAAHN COc1ccccc1N(C[C@@H](O)CN1CCC(C)CC1)S(=O)(=O)c1ccccc1 ZINC000004552862 558720386 /nfs/dbraw/zinc/72/03/86/558720386.db2.gz YWZBWPMFJDKMRB-IBGZPJMESA-N 0 3 418.559 2.983 50 0 HFAAHN CN1CCN(CCCNC(=O)c2ccc(N3CCSc4ncccc43)s2)CC1 ZINC000022937532 558725483 /nfs/dbraw/zinc/72/54/83/558725483.db2.gz DMNAJFUNAJUREZ-UHFFFAOYSA-N 0 3 417.604 2.754 50 0 HFAAHN COc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2cccc(Cl)c2)cc1 ZINC000004569423 558737563 /nfs/dbraw/zinc/73/75/63/558737563.db2.gz SECPXUBTWXKCDB-INIZCTEOSA-N 0 3 408.907 2.932 50 0 HFAAHN O=C(CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCN1CCCC1 ZINC000032995230 558809674 /nfs/dbraw/zinc/80/96/74/558809674.db2.gz MDMHHJZQXRHWDE-UHFFFAOYSA-N 0 3 421.954 2.979 50 0 HFAAHN Cc1[nH]nc2c1C(c1cnn(C)c1)c1c3nc(-c4ccc(F)cc4)nn3cnc1O2 ZINC000017082337 558814449 /nfs/dbraw/zinc/81/44/49/558814449.db2.gz TUKCIGRRABXPEN-HNNXBMFYSA-N 0 3 402.393 2.981 50 0 HFAAHN CN(Cc1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1)Cc1cccc(Cl)c1 ZINC000019222760 558852371 /nfs/dbraw/zinc/85/23/71/558852371.db2.gz LLZFSLKGSYJBTQ-QFIPXVFZSA-N 0 3 417.981 2.959 50 0 HFAAHN COc1ccc(C2=NN(CC(=O)NCCCN(C)Cc3ccccc3)C(=O)CC2)cc1 ZINC000004712561 558917848 /nfs/dbraw/zinc/91/78/48/558917848.db2.gz QAXHHEGZCJCUAX-UHFFFAOYSA-N 0 3 422.529 2.660 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCN3CCCCCC3)CC2)cc1 ZINC000033254566 558918385 /nfs/dbraw/zinc/91/83/85/558918385.db2.gz AMTVDHQUEPHGAC-UHFFFAOYSA-N 0 3 421.607 2.778 50 0 HFAAHN O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000022999940 558984673 /nfs/dbraw/zinc/98/46/73/558984673.db2.gz MQCYOAVLFAFRFI-UHFFFAOYSA-N 0 3 402.516 2.648 50 0 HFAAHN CN1C[C@@H](c2nc(C3CC3)no2)C2(C1)CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000097096686 558992167 /nfs/dbraw/zinc/99/21/67/558992167.db2.gz CJXSJYCTIAPKFM-INIZCTEOSA-N 0 3 410.474 2.627 50 0 HFAAHN O=C([C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)N1CCCNCC1 ZINC000067867051 558994114 /nfs/dbraw/zinc/99/41/14/558994114.db2.gz RKLFQUDONUKZBI-IBGZPJMESA-N 0 3 405.546 2.671 50 0 HFAAHN CN(CCNC(=O)c1cn(C)c(=O)c2c1c1ccccc1n2C)Cc1ccccc1 ZINC000004787908 559064292 /nfs/dbraw/zinc/06/42/92/559064292.db2.gz JBBAFJSXCJTUBM-UHFFFAOYSA-N 0 3 402.498 2.892 50 0 HFAAHN COc1c(F)cc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)cc1Cl ZINC000091390880 559071401 /nfs/dbraw/zinc/07/14/01/559071401.db2.gz RWXQNJIHRZGLHI-APWZRJJASA-N 0 3 400.922 2.783 50 0 HFAAHN COCCN1CCC(C(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000095517271 559084626 /nfs/dbraw/zinc/08/46/26/559084626.db2.gz VDEZJYWTIBTYAM-HSZRJFAPSA-N 0 3 402.535 2.945 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000095527730 559086230 /nfs/dbraw/zinc/08/62/30/559086230.db2.gz HWMBCWHHUXCALQ-NRFANRHFSA-N 0 3 400.567 2.989 50 0 HFAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc(F)c3)nc1=O)CCC2 ZINC000005254266 559117206 /nfs/dbraw/zinc/11/72/06/559117206.db2.gz VXSVWKAGSIDHMH-UHFFFAOYSA-N 0 3 418.538 2.944 50 0 HFAAHN OCC[C@@H]1CN(C2CCN(Cc3ccco3)CC2)CCN1Cc1ccccc1F ZINC000107100697 559164585 /nfs/dbraw/zinc/16/45/85/559164585.db2.gz UGSQTLAHKRLBSK-OAQYLSRUSA-N 0 3 401.526 2.952 50 0 HFAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3ccc(Cl)cc3)nc1=O)CCC2 ZINC000004851679 559191251 /nfs/dbraw/zinc/19/12/51/559191251.db2.gz NFNKYZYJAKQSAZ-UHFFFAOYSA-N 0 3 406.939 2.678 50 0 HFAAHN C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)C1 ZINC000004971564 559220618 /nfs/dbraw/zinc/22/06/18/559220618.db2.gz QXVMKCCDNUPOGW-QGZVFWFLSA-N 0 3 419.591 2.776 50 0 HFAAHN COc1ccc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1O ZINC000011999648 559270571 /nfs/dbraw/zinc/27/05/71/559270571.db2.gz IEEBVOMNPRWQSE-SFHVURJKSA-N 0 3 403.567 2.946 50 0 HFAAHN COc1cccc([C@@H](CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)N2CCCC2)c1 ZINC000017702462 560721911 /nfs/dbraw/zinc/72/19/11/560721911.db2.gz PSKUYHZFEXRKRM-OAQYLSRUSA-N 0 3 420.513 2.818 50 0 HFAAHN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1)Cc1ccccc1 ZINC000024688173 568456690 /nfs/dbraw/zinc/45/66/90/568456690.db2.gz VETRIYPZUGDRHQ-HXUWFJFHSA-N 0 3 403.548 2.876 50 0 HFAAHN CCN1CCN(CCCNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)CC1 ZINC000020941430 568652687 /nfs/dbraw/zinc/65/26/87/568652687.db2.gz WKZCYDLTCVQJSD-UHFFFAOYSA-N 0 3 413.566 2.807 50 0 HFAAHN O=C(NCCN1CCCC1)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000096281078 568718380 /nfs/dbraw/zinc/71/83/80/568718380.db2.gz DZKLXINKBANOMO-UHFFFAOYSA-N 0 3 406.574 2.830 50 0 HFAAHN Cc1ccc(C)c(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 ZINC000021795713 568753871 /nfs/dbraw/zinc/75/38/71/568753871.db2.gz MBLUHCUQTZUZTM-UHFFFAOYSA-N 0 3 423.565 2.508 50 0 HFAAHN CC[C@@H]1CN(CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000230255725 568856880 /nfs/dbraw/zinc/85/68/80/568856880.db2.gz PJCJLBWSTCSOOH-ZWKOTPCHSA-N 0 3 400.527 2.745 50 0 HFAAHN COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)N(C)C)cc1 ZINC000003534389 568861949 /nfs/dbraw/zinc/86/19/49/568861949.db2.gz TZZFYRUWFIKEAF-UNMCSNQZSA-N 0 3 409.530 2.771 50 0 HFAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc2ncsc2c1 ZINC000670433758 568868824 /nfs/dbraw/zinc/86/88/24/568868824.db2.gz WMUIFKAZVVKZKD-VSZUSUSQSA-N 0 3 404.539 2.594 50 0 HFAAHN COc1ccc(OC)c(CN2CCC3(C[C@H]3C(=O)NCCCn3ccnc3)CC2)c1 ZINC000299786066 568875609 /nfs/dbraw/zinc/87/56/09/568875609.db2.gz PBFRLLGTWBEBEV-FQEVSTJZSA-N 0 3 412.534 2.709 50 0 HFAAHN O=C1CO[C@@H](COc2ccc(F)cc2)CN1C1CCN(CCc2ccccn2)CC1 ZINC000299798158 568876558 /nfs/dbraw/zinc/87/65/58/568876558.db2.gz QDQIAPOWXFWXOZ-JOCHJYFZSA-N 0 3 413.493 2.534 50 0 HFAAHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000058023152 568878165 /nfs/dbraw/zinc/87/81/65/568878165.db2.gz WMAXYZNBNMPAOY-OAHLLOKOSA-N 0 3 410.898 2.948 50 0 HFAAHN O=C(CN1CCCCCC1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000008132853 568976059 /nfs/dbraw/zinc/97/60/59/568976059.db2.gz LAIJBCROOPSCAE-UHFFFAOYSA-N 0 3 415.559 2.549 50 0 HFAAHN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012912261 569021803 /nfs/dbraw/zinc/02/18/03/569021803.db2.gz DDAJJQYXETXIEP-QHCPKHFHSA-N 0 3 420.557 2.728 50 0 HFAAHN C[C@@H](C(=O)NCCN(C)C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562040 569045062 /nfs/dbraw/zinc/04/50/62/569045062.db2.gz KEOJZDVTXZSPBR-CQSZACIVSA-N 0 3 404.942 2.987 50 0 HFAAHN O[C@H](COc1ccc(Cl)cc1)CN(CCN1CCOCC1)Cc1ccccc1 ZINC000036096723 569090332 /nfs/dbraw/zinc/09/03/32/569090332.db2.gz DTBXFVSFBACKQT-NRFANRHFSA-N 0 3 404.938 2.914 50 0 HFAAHN CN(CCCNC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21)Cc1ccccc1 ZINC000064775898 569093714 /nfs/dbraw/zinc/09/37/14/569093714.db2.gz KNBGPIBZBZMPDM-UHFFFAOYSA-N 0 3 417.513 2.527 50 0 HFAAHN CCc1nn(CC(=O)NCCN2CCCCCC2)c(=O)c2cc3sc(C)cc3n21 ZINC000006749451 569109104 /nfs/dbraw/zinc/10/91/04/569109104.db2.gz GERJFQVFCURTMJ-UHFFFAOYSA-N 0 3 415.563 2.574 50 0 HFAAHN CCN1CCN(CCNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)CC1 ZINC000065063025 569166866 /nfs/dbraw/zinc/16/68/66/569166866.db2.gz PUVHNSKZAUOFDO-UHFFFAOYSA-N 0 3 411.531 2.832 50 0 HFAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN3C[C@H](C)C[C@@H](C)C3)c(=O)c21 ZINC000006900167 569176206 /nfs/dbraw/zinc/17/62/06/569176206.db2.gz UTQQWYFXRRLGTN-QZTJIDSGSA-N 0 3 423.561 2.855 50 0 HFAAHN COc1ccc(COC[C@H](O)CN(C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000006936809 569185156 /nfs/dbraw/zinc/18/51/56/569185156.db2.gz RZZAXLRVMLRAID-GOSISDBHSA-N 0 3 405.491 2.731 50 0 HFAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O ZINC000065172610 569189829 /nfs/dbraw/zinc/18/98/29/569189829.db2.gz WVOHFKGADZVHIV-UHFFFAOYSA-N 0 3 409.534 2.650 50 0 HFAAHN CC[C@@H]1CCCCN1CCNC(=O)Cn1c2cccnc2n(-c2ccccc2)c1=O ZINC000065202550 569195258 /nfs/dbraw/zinc/19/52/58/569195258.db2.gz XNMQXRBMJUIFDY-GOSISDBHSA-N 0 3 407.518 2.568 50 0 HFAAHN CCc1nc2cc(N3CCC(C(=O)NCCN4CCCC4)CC3)cnc2nc1CC ZINC000065227533 569200442 /nfs/dbraw/zinc/20/04/42/569200442.db2.gz KGNZOZVSIKCDHT-UHFFFAOYSA-N 0 3 410.566 2.578 50 0 HFAAHN COc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCCC4)CC3)o2)cc1 ZINC000065229799 569200640 /nfs/dbraw/zinc/20/06/40/569200640.db2.gz KNNYZIMDUAPZGU-UHFFFAOYSA-N 0 3 413.522 2.564 50 0 HFAAHN Cc1nc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c(C)n1C1CCN(C)CC1 ZINC000065257311 569208718 /nfs/dbraw/zinc/20/87/18/569208718.db2.gz NNBSIIBUAMYGHT-UHFFFAOYSA-N 0 3 413.541 2.864 50 0 HFAAHN Cn1c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)ccc2n2nccc2c1=O ZINC000065270509 569214114 /nfs/dbraw/zinc/21/41/14/569214114.db2.gz RRGZDHVIPKFBJB-UHFFFAOYSA-N 0 3 415.497 2.581 50 0 HFAAHN CN1CCC[C@@H]1CNC(=O)CCCOc1ccc(I)cc1 ZINC000065553325 569235352 /nfs/dbraw/zinc/23/53/52/569235352.db2.gz QDVHQCAZSSOOQE-CQSZACIVSA-N 0 3 402.276 2.661 50 0 HFAAHN COc1cc2nc(C)c(NC[C@H](O)CN3CCc4ccccc4C3)nc2cc1OC ZINC000170601985 569243380 /nfs/dbraw/zinc/24/33/80/569243380.db2.gz PYJADNQYVNGFSC-SFHVURJKSA-N 0 3 408.502 2.787 50 0 HFAAHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000089977218 569270392 /nfs/dbraw/zinc/27/03/92/569270392.db2.gz YJYREDMTHNNESK-INIZCTEOSA-N 0 3 408.543 2.566 50 0 HFAAHN Cn1nc2nc(N3CCNCC3)nc(-c3cccc(Oc4ccccc4)c3)c2c1N ZINC000037377560 569288252 /nfs/dbraw/zinc/28/82/52/569288252.db2.gz VOCMDKMBIXEXDN-UHFFFAOYSA-N 0 3 401.474 2.814 50 0 HFAAHN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCCC1 ZINC000253406318 569365989 /nfs/dbraw/zinc/36/59/89/569365989.db2.gz YAYMLDODNYEWLD-FHLIZLRMSA-N 0 3 411.468 2.916 50 0 HFAAHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(c2ccc(F)cc2)CC1 ZINC000079495311 569432690 /nfs/dbraw/zinc/43/26/90/569432690.db2.gz OFNPKUVQNLWSQX-UHFFFAOYSA-N 0 3 414.525 2.538 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2csc(COc3ccc(C)cc3)n2)CC1 ZINC000032915222 521681639 /nfs/dbraw/zinc/68/16/39/521681639.db2.gz LMNXOLCXZJMXQC-UHFFFAOYSA-N 0 3 402.564 2.788 50 0 HFAAHN Cc1cccc(-n2cc(CN3CCN(CCC(N)=O)CC3)c(-c3cccc(F)c3)n2)c1 ZINC000020542994 524144355 /nfs/dbraw/zinc/14/43/55/524144355.db2.gz SLHCABCQUWZLRC-UHFFFAOYSA-N 0 3 421.520 2.980 50 0 HFAAHN Cc1ccccc1CN1CCC(NC(=O)CN2c3ccccc3O[C@H](C)C2=O)CC1 ZINC000042127252 525137221 /nfs/dbraw/zinc/13/72/21/525137221.db2.gz BATMMNGRRAUTKU-GOSISDBHSA-N 0 3 407.514 2.890 50 0 HFAAHN CN(C)CCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000000754370 557076196 /nfs/dbraw/zinc/07/61/96/557076196.db2.gz COQJAYXSIWTZHL-UHFFFAOYSA-N 0 3 409.515 2.951 50 0 HFAAHN CCCCNC(=O)N1C[C@@H](c2ccccc2)C[C@H](C(=O)NCCN2CCCC2)C1 ZINC000034710431 557390541 /nfs/dbraw/zinc/39/05/41/557390541.db2.gz HOCZJKRAVBLSFU-SFTDATJTSA-N 0 3 400.567 2.814 50 0 HFAAHN CC1=C(CCN2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)C(C)(C)CCC1 ZINC000011783026 558275124 /nfs/dbraw/zinc/27/51/24/558275124.db2.gz BYXZNNZHSLCPGE-SFHVURJKSA-N 0 3 415.582 2.706 50 0 HFAAHN C[C@H]1CCCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)C1 ZINC000011788297 558276679 /nfs/dbraw/zinc/27/66/79/558276679.db2.gz YHLKFHMELWFJJK-AOMKIAJQSA-N 0 3 419.953 2.547 50 0 HFAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccc4c(c3)OCO4)CC2)O1)c1cccnc1 ZINC000011973396 558305272 /nfs/dbraw/zinc/30/52/72/558305272.db2.gz KEQQRGXBKAIQOD-LJQANCHMSA-N 0 3 409.486 2.754 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)c1c(=O)cc(C)n(CCc2ccccc2OC)c1C ZINC000012159515 558341404 /nfs/dbraw/zinc/34/14/04/558341404.db2.gz CHFFXVJTLRKICA-HXUWFJFHSA-N 0 3 411.546 2.931 50 0 HFAAHN COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)CN2CCCCC2)CCO3)C1 ZINC000012162051 558341930 /nfs/dbraw/zinc/34/19/30/558341930.db2.gz QFZMVJIPHFJTFP-OAQYLSRUSA-N 0 3 415.578 2.752 50 0 HFAAHN COc1cccc(CN2C[C@H](C(=O)N3CCCN(C4CCCC4)CC3)CCC2=O)c1 ZINC000020211688 558347823 /nfs/dbraw/zinc/34/78/23/558347823.db2.gz YFINRDRUBLJPIN-HXUWFJFHSA-N 0 3 413.562 2.911 50 0 HFAAHN CCCN1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2[nH]c3=O)CC1 ZINC000022930204 558396913 /nfs/dbraw/zinc/39/69/13/558396913.db2.gz ZXRJVGGQCLOWOP-UHFFFAOYSA-N 0 3 412.559 2.890 50 0 HFAAHN CCN1CCC[C@H](CN(C)Cc2cnc(S(=O)(=O)CC)n2Cc2ccccc2)C1 ZINC000012433866 558407801 /nfs/dbraw/zinc/40/78/01/558407801.db2.gz FOOOMQOSADHZGM-HXUWFJFHSA-N 0 3 418.607 2.889 50 0 HFAAHN Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1C ZINC000020997598 558427081 /nfs/dbraw/zinc/42/70/81/558427081.db2.gz KVFXJBYHXAFQKI-UHFFFAOYSA-N 0 3 407.518 2.827 50 0 HFAAHN COc1cc(OC)c(OC)cc1CN1CCC(CCC(=O)NC[C@@H]2CCCO2)CC1 ZINC000012594035 558436797 /nfs/dbraw/zinc/43/67/97/558436797.db2.gz RJHZMVVTMMFTPF-IBGZPJMESA-N 0 3 420.550 3.000 50 0 HFAAHN O=C(C1=NNC(=O)CC1)N1CCC([C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000012760075 558460913 /nfs/dbraw/zinc/46/09/13/558460913.db2.gz YIPKDYJLAAVNSI-QGZVFWFLSA-N 0 3 402.926 2.667 50 0 HFAAHN CN(C)Cc1ccccc1CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000012995370 558498458 /nfs/dbraw/zinc/49/84/58/558498458.db2.gz OBODUFHNVAMWQL-UHFFFAOYSA-N 0 3 410.543 2.784 50 0 HFAAHN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCN2CCN(C)CC2)n3C)cc1 ZINC000022939882 558527660 /nfs/dbraw/zinc/52/76/60/558527660.db2.gz NQVSDSSQUUQXOE-UHFFFAOYSA-N 0 3 407.518 2.624 50 0 HFAAHN CN1CCN(C[C@H](O)COc2ccc(CNCc3ccccc3Cl)cc2)CC1 ZINC000023372970 558553202 /nfs/dbraw/zinc/55/32/02/558553202.db2.gz CXVRHAKDMOCXMR-FQEVSTJZSA-N 0 3 403.954 2.617 50 0 HFAAHN Nc1nonc1C(=O)NCCNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013942027 558604918 /nfs/dbraw/zinc/60/49/18/558604918.db2.gz DKZSQMVBGWORRS-UHFFFAOYSA-N 0 3 417.469 2.904 50 0 HFAAHN CN(C)[C@H](CNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccccc1 ZINC000024953268 558622157 /nfs/dbraw/zinc/62/21/57/558622157.db2.gz XPJOYRISDJVEGK-MRXNPFEDSA-N 0 3 410.543 2.825 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000022936549 558672998 /nfs/dbraw/zinc/67/29/98/558672998.db2.gz MYCNJSBQHQDICG-UHFFFAOYSA-N 0 3 424.524 2.560 50 0 HFAAHN CN(C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1)C1CCN(C)CC1 ZINC000014988737 558693508 /nfs/dbraw/zinc/69/35/08/558693508.db2.gz KNQQWKVKMJCUFF-UHFFFAOYSA-N 0 3 406.490 2.966 50 0 HFAAHN CCOC(=O)C1C(CN2CCCCC2)=NC(=O)N[C@H]1c1ccccc1OC(F)F ZINC000029594514 558717531 /nfs/dbraw/zinc/71/75/31/558717531.db2.gz UBXYHWYNDUEBAY-KRWDZBQOSA-N 0 3 409.433 2.945 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c(C)c1 ZINC000015671245 558748362 /nfs/dbraw/zinc/74/83/62/558748362.db2.gz LRJPSBBGFLRLKC-UHFFFAOYSA-N 0 3 415.563 2.513 50 0 HFAAHN O=C(Nc1cccc(CN2CCC(O)CC2)c1)Nc1cccc(N2CCNC2=O)c1 ZINC000072305844 558762115 /nfs/dbraw/zinc/76/21/15/558762115.db2.gz WGXCVSRYECBWLZ-UHFFFAOYSA-N 0 3 409.490 2.817 50 0 HFAAHN CCCOc1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018123292 558831647 /nfs/dbraw/zinc/83/16/47/558831647.db2.gz YJYWWSJLISLHTE-IBGZPJMESA-N 0 3 412.486 2.957 50 0 HFAAHN O=C(CN1CCCCC1)N1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055131880 558873423 /nfs/dbraw/zinc/87/34/23/558873423.db2.gz VQJZUMPDCPLXOS-OAQYLSRUSA-N 0 3 404.986 2.939 50 0 HFAAHN Cc1c(CN[C@H](CCn2cncn2)c2ccccc2)c2ccccc2n1CC(N)=O ZINC000055271596 558878037 /nfs/dbraw/zinc/87/80/37/558878037.db2.gz DBXZZWXAHOFUQT-OAQYLSRUSA-N 0 3 402.502 2.948 50 0 HFAAHN Cc1ccc(C)c(NC(=O)CC(=O)N2CCC([C@@H](C)N3CCN(C)CC3)CC2)c1 ZINC000055270733 558878055 /nfs/dbraw/zinc/87/80/55/558878055.db2.gz QZPYWGRPJBXCCU-LJQANCHMSA-N 0 3 400.567 2.507 50 0 HFAAHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@@H]([C@H]1CCOC1)N1CCOCC1 ZINC000058128596 558900090 /nfs/dbraw/zinc/90/00/90/558900090.db2.gz MIRJDHQUUNFFJQ-JTSKRJEESA-N 0 3 420.504 2.594 50 0 HFAAHN CCN(C(=O)c1cccc(S(N)(=O)=O)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000058294090 558917097 /nfs/dbraw/zinc/91/70/97/558917097.db2.gz MLXIEIZBMYYRPI-LPHOPBHVSA-N 0 3 401.532 2.632 50 0 HFAAHN COC(=O)C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000058342113 558920553 /nfs/dbraw/zinc/92/05/53/558920553.db2.gz IBVRTHXHMHYSSN-GOSISDBHSA-N 0 3 400.475 2.800 50 0 HFAAHN CN(CCNC(=O)c1nnc(C(=O)Nc2ccc(F)cc2)s1)Cc1ccccc1 ZINC000033060258 558954671 /nfs/dbraw/zinc/95/46/71/558954671.db2.gz JPWYUFXZDWTBIC-UHFFFAOYSA-N 0 3 413.478 2.791 50 0 HFAAHN O=C(CCc1nnc(C(=O)Nc2ccccc2)s1)NCCN1CCCCCC1 ZINC000033061687 558955292 /nfs/dbraw/zinc/95/52/92/558955292.db2.gz LOYFZRKPWXWCIH-UHFFFAOYSA-N 0 3 401.536 2.715 50 0 HFAAHN Cc1nc(NCCNC(=O)Nc2cccc(Cl)c2C)cc(N2CCOCC2)n1 ZINC000072434134 558979844 /nfs/dbraw/zinc/97/98/44/558979844.db2.gz YIBVQAWIUXOHMK-UHFFFAOYSA-N 0 3 404.902 2.817 50 0 HFAAHN COc1ccc(CN(C)Cc2nc(C)c[nH]2)cc1OC[C@H](O)CN1CCCCC1 ZINC000095518651 559084888 /nfs/dbraw/zinc/08/48/88/559084888.db2.gz AZMOMLPAKRHQMW-LJQANCHMSA-N 0 3 402.539 2.584 50 0 HFAAHN COc1ccc(CN(C)Cc2nc(C)c[nH]2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000095518652 559084956 /nfs/dbraw/zinc/08/49/56/559084956.db2.gz AZMOMLPAKRHQMW-IBGZPJMESA-N 0 3 402.539 2.584 50 0 HFAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3ccccc3Cl)nc1=O)CCC2 ZINC000004851724 559191218 /nfs/dbraw/zinc/19/12/18/559191218.db2.gz UGJKCZZEABGECU-UHFFFAOYSA-N 0 3 406.939 2.678 50 0 HFAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3)nc1=O)CCC2 ZINC000004851754 559191236 /nfs/dbraw/zinc/19/12/36/559191236.db2.gz CLMOZASZRWXNOF-UHFFFAOYSA-N 0 3 400.548 2.805 50 0 HFAAHN Cc1cc(C)c(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c(C)c1 ZINC000004851746 559191263 /nfs/dbraw/zinc/19/12/63/559191263.db2.gz YPPYOLRUHSQEKB-UHFFFAOYSA-N 0 3 414.575 2.950 50 0 HFAAHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)ccc21 ZINC000004969216 559218929 /nfs/dbraw/zinc/21/89/29/559218929.db2.gz NPBLXSRNBIGGCO-IRXDYDNUSA-N 0 3 407.580 2.632 50 0 HFAAHN CCCN(CCC)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971552 559220630 /nfs/dbraw/zinc/22/06/30/559220630.db2.gz IQVVLEKRFBQEDW-UHFFFAOYSA-N 0 3 407.580 2.776 50 0 HFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000005684669 560781779 /nfs/dbraw/zinc/78/17/79/560781779.db2.gz ZOPZNBBJXXJODP-FPOVZHCZSA-N 0 3 413.543 2.693 50 0 HFAAHN CCN1CCN(CCNC(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)CC1 ZINC000020514611 568622465 /nfs/dbraw/zinc/62/24/65/568622465.db2.gz FQQJKSKBGUDHJE-NDEPHWFRSA-N 0 3 423.966 2.608 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000095472818 568628070 /nfs/dbraw/zinc/62/80/70/568628070.db2.gz APPIQNWCIKBERB-LJQANCHMSA-N 0 3 404.514 2.588 50 0 HFAAHN CCN(CC)[C@H](CNC(=O)[C@H](COC)NC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC000239667702 568729801 /nfs/dbraw/zinc/72/98/01/568729801.db2.gz BRNKSIMEXWNEMR-RBUKOAKNSA-N 0 3 423.554 2.734 50 0 HFAAHN NC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCCC1 ZINC000002961989 568830562 /nfs/dbraw/zinc/83/05/62/568830562.db2.gz ZJMCPBPYFVTJJU-UHFFFAOYSA-N 0 3 402.545 2.675 50 0 HFAAHN O=C1CCCN1CCCNCc1cc2cc3c(cc2nc1N1CCOCC1)CCC3 ZINC000299796648 568876347 /nfs/dbraw/zinc/87/63/47/568876347.db2.gz PCJZESDGXYHWFW-UHFFFAOYSA-N 0 3 408.546 2.662 50 0 HFAAHN CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1CCN(C)CC1 ZINC000003367938 568889553 /nfs/dbraw/zinc/88/95/53/568889553.db2.gz SJYFKIYHHGLFIE-UHFFFAOYSA-N 0 3 413.971 2.681 50 0 HFAAHN COc1ccc(Cl)cc1C(=O)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670440762 568890176 /nfs/dbraw/zinc/89/01/76/568890176.db2.gz DRKIRUPBPSRYKR-JCVMYPOKSA-N 0 3 411.933 2.646 50 0 HFAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cc(-c2ccccc2)no1 ZINC000670441047 568891504 /nfs/dbraw/zinc/89/15/04/568891504.db2.gz QFZJBZJDRPNJSD-VMQIMYIWSA-N 0 3 414.509 2.639 50 0 HFAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc(-c2cnco2)cc1 ZINC000670451189 568926151 /nfs/dbraw/zinc/92/61/51/568926151.db2.gz VNHOLSTUWIVNRY-JKJRPBHFSA-N 0 3 414.509 2.639 50 0 HFAAHN CS(=O)(=O)N1CCc2cc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)ccc21 ZINC000012779684 568956682 /nfs/dbraw/zinc/95/66/82/568956682.db2.gz VIPIPSCUFOZZRJ-SFHVURJKSA-N 0 3 419.572 2.637 50 0 HFAAHN CN1CCN(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000022933341 569008075 /nfs/dbraw/zinc/00/80/75/569008075.db2.gz VRMVVJJBQZOJOR-UHFFFAOYSA-N 0 3 406.574 2.612 50 0 HFAAHN O=C(c1ccc(N2CCN3CCC[C@H]3C2)nc1)N1CCC(CCn2cccn2)CC1 ZINC000240163527 569054580 /nfs/dbraw/zinc/05/45/80/569054580.db2.gz JBNVNIZEWZLHCD-NRFANRHFSA-N 0 3 408.550 2.505 50 0 HFAAHN Cc1cccc(CN2CCCn3nc(C(=O)NCCN4CCCCCC4)cc3C2=O)c1 ZINC000064959754 569135427 /nfs/dbraw/zinc/13/54/27/569135427.db2.gz UTMFQTJPBOCRBW-UHFFFAOYSA-N 0 3 423.561 2.843 50 0 HFAAHN CCCCN(C)C(=O)c1cc(NC(=O)c2ccccc2C)cnc1N1CCNCC1 ZINC000065025365 569156314 /nfs/dbraw/zinc/15/63/14/569156314.db2.gz SLPJUSTWWBMELC-UHFFFAOYSA-N 0 3 409.534 2.924 50 0 HFAAHN O=C([C@@H]1CCCN(c2cnc3nccnc3c2)C1)N1CCN(C2CCCCC2)CC1 ZINC000065227106 569200242 /nfs/dbraw/zinc/20/02/42/569200242.db2.gz UHYDDRCQHDDOGW-GOSISDBHSA-N 0 3 408.550 2.718 50 0 HFAAHN Cc1nc(-c2cccnc2N2CCC(C(=O)NCCN3CCCC[C@@H]3C)CC2)no1 ZINC000065227636 569200468 /nfs/dbraw/zinc/20/04/68/569200468.db2.gz YUUPSORQDHRPGQ-INIZCTEOSA-N 0 3 412.538 2.647 50 0 HFAAHN CCCCN1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NCC)ncn3)C2)CC1 ZINC000065245072 569204804 /nfs/dbraw/zinc/20/48/04/569204804.db2.gz IMXXDIDCBXPRNX-IBGZPJMESA-N 0 3 402.587 2.849 50 0 HFAAHN CN(CCc1ccncc1)C(=O)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000065256109 569208157 /nfs/dbraw/zinc/20/81/57/569208157.db2.gz PVHZDSOKNWYMLJ-JOCHJYFZSA-N 0 3 401.514 2.942 50 0 HFAAHN O=C(NCc1ccc2c(c1)OCO2)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065256001 569208227 /nfs/dbraw/zinc/20/82/27/569208227.db2.gz IFKQDESKIQTJBC-FQEVSTJZSA-N 0 3 416.481 2.891 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000249698662 569255418 /nfs/dbraw/zinc/25/54/18/569255418.db2.gz WAKNLWWSCDEJDY-MJGOQNOKSA-N 0 3 400.571 2.648 50 0 HFAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)c4ccncc4)CC3)C2)CC1 ZINC000581820216 569321127 /nfs/dbraw/zinc/32/11/27/569321127.db2.gz YMGRNMJFHJGIFM-NRFANRHFSA-N 0 3 400.567 2.509 50 0 HFAAHN CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CN(CC)CC)c2ccccc2)cc1 ZINC000040049396 571143319 /nfs/dbraw/zinc/14/33/19/571143319.db2.gz MKVPNEQAAGNWLW-FQEVSTJZSA-N 0 3 403.548 2.798 50 0 HFAAHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1nc(-c2cccs2)no1 ZINC000040106287 571166892 /nfs/dbraw/zinc/16/68/92/571166892.db2.gz RRXFDHMMEZQJEZ-OLZOCXBDSA-N 0 3 405.501 2.979 50 0 HFAAHN Cc1noc(C)c1CSCC(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000040134772 571187819 /nfs/dbraw/zinc/18/78/19/571187819.db2.gz PPVCFHQUGUAJOV-UHFFFAOYSA-N 0 3 416.547 2.861 50 0 HFAAHN Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(nnn(CCN(C)C)c3=O)c21 ZINC000009477087 571261689 /nfs/dbraw/zinc/26/16/89/571261689.db2.gz AMVMLRGUQFSKQW-UHFFFAOYSA-N 0 3 400.895 2.987 50 0 HFAAHN C[C@@H]1CCCCN1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000035261155 571316666 /nfs/dbraw/zinc/31/66/66/571316666.db2.gz YWZNYNJDQGSVGC-OAHLLOKOSA-N 0 3 413.971 2.729 50 0 HFAAHN CC(=O)Nc1ccc2nc(N3CCC(C(=O)NCCN4CCCC4)CC3)cc(C)c2c1 ZINC000021704121 519734754 /nfs/dbraw/zinc/73/47/54/519734754.db2.gz XZLZKBJCLOWUAR-UHFFFAOYSA-N 0 3 423.561 2.930 50 0 HFAAHN CN(CCCNC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1)Cc1ccccc1 ZINC000032926763 522769474 /nfs/dbraw/zinc/76/94/74/522769474.db2.gz GDDKOGGALWCLJU-UHFFFAOYSA-N 0 3 418.497 2.879 50 0 HFAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(F)cc2)CN1Cc1ccccc1Cl ZINC000032590151 523913145 /nfs/dbraw/zinc/91/31/45/523913145.db2.gz NNUHIBRAMXSSGE-CTNGQTDRSA-N 0 3 419.928 2.974 50 0 HFAAHN C[NH+](C)CCCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000032105169 524055375 /nfs/dbraw/zinc/05/53/75/524055375.db2.gz DZLKDPHRQXPRGF-GOSISDBHSA-N 0 3 423.355 2.625 50 0 HFAAHN Cc1nnc(-c2ccc(NC(=O)C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)o1 ZINC000044900878 526317172 /nfs/dbraw/zinc/31/71/72/526317172.db2.gz IWCJNKYMIBJPPM-UHFFFAOYSA-N 0 3 419.485 2.764 50 0 HFAAHN O=C(CCn1c(=O)c2cccn2c2cccnc21)N1CCN(C2CCCCC2)CC1 ZINC000020512334 526667005 /nfs/dbraw/zinc/66/70/05/526667005.db2.gz WDSIILJDVLAPKC-UHFFFAOYSA-N 0 3 407.518 2.516 50 0 HFAAHN CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccccc3OCC)CC2)CC1 ZINC000000795499 557082883 /nfs/dbraw/zinc/08/28/83/557082883.db2.gz WCXATEZLFFAECI-UHFFFAOYSA-N 0 3 403.523 2.598 50 0 HFAAHN O=C(NCCN1CCCC1)c1cccc(CN2CCN(c3ccccc3F)CC2)c1 ZINC000034668399 557361910 /nfs/dbraw/zinc/36/19/10/557361910.db2.gz SEBFGEHHGYTUJT-UHFFFAOYSA-N 0 3 410.537 2.974 50 0 HFAAHN CC1=C(CCN2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)C(C)(C)CCC1 ZINC000011783025 558275019 /nfs/dbraw/zinc/27/50/19/558275019.db2.gz BYXZNNZHSLCPGE-GOSISDBHSA-N 0 3 415.582 2.706 50 0 HFAAHN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@H](N(C)CCc3ccccc3)C2)CC1 ZINC000011814282 558278471 /nfs/dbraw/zinc/27/84/71/558278471.db2.gz LCKFFERAUQANNC-NRFANRHFSA-N 0 3 400.567 2.546 50 0 HFAAHN CN(C(=O)Cn1c2ccccc2oc1=O)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000011933234 558297966 /nfs/dbraw/zinc/29/79/66/558297966.db2.gz HZQPILCBMSMGPI-IBGZPJMESA-N 0 3 405.498 2.685 50 0 HFAAHN CN(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 ZINC000011938032 558301526 /nfs/dbraw/zinc/30/15/26/558301526.db2.gz JMBJLHUQKWBFBS-IBGZPJMESA-N 0 3 414.594 2.938 50 0 HFAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnsn1 ZINC000011947355 558302401 /nfs/dbraw/zinc/30/24/01/558302401.db2.gz LOZVEKPLYJRKJR-MRXNPFEDSA-N 0 3 405.543 2.593 50 0 HFAAHN CN(C)CCN1C(=O)C[C@](CC(=O)N(C)C2CCCCC2)(c2ccccc2F)C1=O ZINC000012004291 558308962 /nfs/dbraw/zinc/30/89/62/558308962.db2.gz CVRXQRXZDDUJMK-HSZRJFAPSA-N 0 3 417.525 2.565 50 0 HFAAHN Cc1nc(CC(=O)NC[C@@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)cs1 ZINC000012097496 558325333 /nfs/dbraw/zinc/32/53/33/558325333.db2.gz JZXJBHDFMQLXGL-IBGZPJMESA-N 0 3 400.548 2.719 50 0 HFAAHN COc1ccccc1C(=O)NCc1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000020206755 558346749 /nfs/dbraw/zinc/34/67/49/558346749.db2.gz AWWMBERWQGYYEU-UHFFFAOYSA-N 0 3 419.529 2.892 50 0 HFAAHN O=C(NCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2)c1ccccn1 ZINC000020207139 558346776 /nfs/dbraw/zinc/34/67/76/558346776.db2.gz XQDKVVJHQBEJKK-UHFFFAOYSA-N 0 3 412.497 2.815 50 0 HFAAHN OCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CCN1CCCc1ccccc1 ZINC000020211097 558347513 /nfs/dbraw/zinc/34/75/13/558347513.db2.gz FNSPQNKXTCXQLK-JOCHJYFZSA-N 0 3 405.546 2.769 50 0 HFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cc1nonc1C ZINC000012229024 558357650 /nfs/dbraw/zinc/35/76/50/558357650.db2.gz MICPVXUWHFYADW-LJQANCHMSA-N 0 3 400.523 2.732 50 0 HFAAHN COc1ccc(C2(C(=O)NCc3nnc(SCCN(C)C)n3C)CCCC2)cc1 ZINC000012278478 558364683 /nfs/dbraw/zinc/36/46/83/558364683.db2.gz QYEYFEDAZPQDIY-UHFFFAOYSA-N 0 3 417.579 2.606 50 0 HFAAHN Cc1cccc2nc(CNC3CCN(c4cccc(N5CCNC5=O)c4)CC3)cn21 ZINC000020454079 558368100 /nfs/dbraw/zinc/36/81/00/558368100.db2.gz AWOGXTGHZOMKPM-UHFFFAOYSA-N 0 3 404.518 2.931 50 0 HFAAHN O=C(c1nc2ccc(Cl)cn2c1CNC[C@@H]1COCCO1)N1CCCCCCC1 ZINC000012299974 558369820 /nfs/dbraw/zinc/36/98/20/558369820.db2.gz HEJDAJVJNLMUEN-QGZVFWFLSA-N 0 3 420.941 2.899 50 0 HFAAHN Cn1cc(CN2CCC([C@@H](O)c3nccn3C)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012301568 558371174 /nfs/dbraw/zinc/37/11/74/558371174.db2.gz SMNPHYFNAFAMCL-JOCHJYFZSA-N 0 3 423.517 2.537 50 0 HFAAHN COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4cnc(C)n4C)C3)C2=O)c1 ZINC000012307326 558375895 /nfs/dbraw/zinc/37/58/95/558375895.db2.gz JTSOFOPQPUJUQZ-JOCHJYFZSA-N 0 3 400.498 2.891 50 0 HFAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)CN1CCCCC1 ZINC000012386740 558395529 /nfs/dbraw/zinc/39/55/29/558395529.db2.gz AJIBQIYOOKIURO-UHFFFAOYSA-N 0 3 417.594 2.868 50 0 HFAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CCCN1CCCC1=O ZINC000012458829 558418545 /nfs/dbraw/zinc/41/85/45/558418545.db2.gz RRDWGOVMHOPNAX-UHFFFAOYSA-N 0 3 403.542 2.941 50 0 HFAAHN COCCNC(=O)CCC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 ZINC000012594491 558437256 /nfs/dbraw/zinc/43/72/56/558437256.db2.gz BKUIATGNFGAILE-UHFFFAOYSA-N 0 3 412.534 2.907 50 0 HFAAHN O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cn(CCN3CCCCC3)nn2)C1 ZINC000012597542 558438560 /nfs/dbraw/zinc/43/85/60/558438560.db2.gz RKUBJLJPEOFHBM-INIZCTEOSA-N 0 3 401.536 2.561 50 0 HFAAHN CC(=O)c1cccc(OC[C@@H](O)CN[C@@H](CN2CCOCC2)c2ccc(C)cc2)c1 ZINC000022929696 558523695 /nfs/dbraw/zinc/52/36/95/558523695.db2.gz IYLAVAHZJRLPOM-UPVQGACJSA-N 0 3 412.530 2.600 50 0 HFAAHN Cc1cc(C)c(CN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C ZINC000023128693 558536324 /nfs/dbraw/zinc/53/63/24/558536324.db2.gz HDTVWMMNRCPVCD-UHFFFAOYSA-N 0 3 418.545 2.629 50 0 HFAAHN COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000023486699 558559951 /nfs/dbraw/zinc/55/99/51/558559951.db2.gz HSPHYQJDKGYQJT-GMAHTHKFSA-N 0 3 421.541 2.997 50 0 HFAAHN COc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000023486707 558560010 /nfs/dbraw/zinc/56/00/10/558560010.db2.gz HSPHYQJDKGYQJT-GGAORHGYSA-N 0 3 421.541 2.997 50 0 HFAAHN CN(C)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000014230975 558639813 /nfs/dbraw/zinc/63/98/13/558639813.db2.gz HTTIZZXXETVGJD-UHFFFAOYSA-N 0 3 415.559 2.853 50 0 HFAAHN CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC000014541994 558660312 /nfs/dbraw/zinc/66/03/12/558660312.db2.gz JVLQLTRHBDMOST-UHFFFAOYSA-N 0 3 403.486 2.992 50 0 HFAAHN Cc1nc2cc(N3CCC(C(=O)NCCN4CCCCCC4)CC3)cnc2nc1C ZINC000065227490 558665086 /nfs/dbraw/zinc/66/50/86/558665086.db2.gz PATHSVNQXZZLBX-UHFFFAOYSA-N 0 3 410.566 2.850 50 0 HFAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014748480 558669921 /nfs/dbraw/zinc/66/99/21/558669921.db2.gz AXKZDTDZZZVURM-UHFFFAOYSA-N 0 3 408.502 2.649 50 0 HFAAHN CCCN(CCC)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000027270191 558671628 /nfs/dbraw/zinc/67/16/28/558671628.db2.gz RROFPKGQUXGNCV-IAGOWNOFSA-N 0 3 411.568 2.545 50 0 HFAAHN COc1cccc([C@H](CNC(=O)CCNC(=O)c2ccsc2)N2CCCC2)c1 ZINC000027341410 558672117 /nfs/dbraw/zinc/67/21/17/558672117.db2.gz UJFBJTJFYUGHLA-IBGZPJMESA-N 0 3 401.532 2.830 50 0 HFAAHN C/C(=C\c1ccccc1)CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000014981662 558691950 /nfs/dbraw/zinc/69/19/50/558691950.db2.gz HNUZWBZVUHCUNK-OBGWFSINSA-N 0 3 405.502 2.805 50 0 HFAAHN CCOC(=O)CN(C)Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000015062293 558705311 /nfs/dbraw/zinc/70/53/11/558705311.db2.gz WCXNCKLAWLULFZ-OAQYLSRUSA-N 0 3 400.519 2.553 50 0 HFAAHN Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)c1 ZINC000015671276 558748490 /nfs/dbraw/zinc/74/84/90/558748490.db2.gz CFOIBGHWDQGHKT-UHFFFAOYSA-N 0 3 415.563 2.595 50 0 HFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000004580797 558766917 /nfs/dbraw/zinc/76/69/17/558766917.db2.gz FSCVDPOZJLMSOL-XLIONFOSSA-N 0 3 406.465 2.622 50 0 HFAAHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H](c2ccccc2)N(C)C)C(C)C)cc1 ZINC000016599321 558796461 /nfs/dbraw/zinc/79/64/61/558796461.db2.gz PUPJYSSKEZZIHI-SFTDATJTSA-N 0 3 417.575 2.717 50 0 HFAAHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H]([C@H]1CCOC1)N1CCOCC1 ZINC000058128600 558900145 /nfs/dbraw/zinc/90/01/45/558900145.db2.gz MIRJDHQUUNFFJQ-HTAPYJJXSA-N 0 3 420.504 2.594 50 0 HFAAHN O=C(NC[C@H]1CCN(CCN2CCOCC2)C1)c1ccc(-c2ccc(F)cc2)s1 ZINC000058210837 558912218 /nfs/dbraw/zinc/91/22/18/558912218.db2.gz FOVLJFVOENWDEV-QGZVFWFLSA-N 0 3 417.550 2.938 50 0 HFAAHN OCCOc1ccccc1CN1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000019607695 558946638 /nfs/dbraw/zinc/94/66/38/558946638.db2.gz ADVVUGZFQNECJE-OAQYLSRUSA-N 0 3 413.537 2.983 50 0 HFAAHN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(C)CC2)c1 ZINC000067339026 558986257 /nfs/dbraw/zinc/98/62/57/558986257.db2.gz FHJCEXZKDHUMQA-UHFFFAOYSA-N 0 3 401.532 2.644 50 0 HFAAHN CN(C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)C1CC[NH+](C)CC1 ZINC000091651172 559072798 /nfs/dbraw/zinc/07/27/98/559072798.db2.gz WDOVXTFQIKUGQK-UHFFFAOYSA-N 0 3 409.317 2.834 50 0 HFAAHN CC(C)Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cc1 ZINC000095379367 559080585 /nfs/dbraw/zinc/08/05/85/559080585.db2.gz WVGGCUCJNIPJMA-PKTZIBPZSA-N 0 3 401.595 2.736 50 0 HFAAHN COc1ccc(CN(C)Cc2cc(C)no2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000095496971 559081555 /nfs/dbraw/zinc/08/15/55/559081555.db2.gz MVOCCBUZTHPTOI-IBGZPJMESA-N 0 3 403.523 2.849 50 0 HFAAHN Cn1cc(-c2nc3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c3-c2c[nH][nH]c4=O)cn1 ZINC000100001820 559128336 /nfs/dbraw/zinc/12/83/36/559128336.db2.gz NDEXUOWTGYUVGA-LJQANCHMSA-N 0 3 419.489 2.651 50 0 investigational HFAAHN Cc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c(C)c1 ZINC000004851643 559191151 /nfs/dbraw/zinc/19/11/51/559191151.db2.gz HEHFKPCYUISMEC-UHFFFAOYSA-N 0 3 400.548 2.641 50 0 HFAAHN CN1C[C@H](c2nc(C3CC3)no2)C2(C1)CCN(C(=O)c1ccc3c(c1)OCO3)CC2 ZINC000097096684 560849246 /nfs/dbraw/zinc/84/92/46/560849246.db2.gz CJXSJYCTIAPKFM-MRXNPFEDSA-N 0 3 410.474 2.627 50 0 HFAAHN O=C(c1ccoc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575560368 560855597 /nfs/dbraw/zinc/85/55/97/560855597.db2.gz YRSNEQQSPLCLOC-HXUWFJFHSA-N 0 3 410.518 2.651 50 0 HFAAHN O=S(=O)(c1ccccc1)N1C[C@@H](CNCc2ccc(Cl)s2)N2CC[C@H]1C2 ZINC000108367067 568418667 /nfs/dbraw/zinc/41/86/67/568418667.db2.gz AIGGFIVHZYYBBK-LSDHHAIUSA-N 0 3 411.980 2.639 50 0 HFAAHN O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000047732904 568431092 /nfs/dbraw/zinc/43/10/92/568431092.db2.gz MLKWYWLWFGUSAF-NRFANRHFSA-N 0 3 403.486 2.688 50 0 HFAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000000780168 568474596 /nfs/dbraw/zinc/47/45/96/568474596.db2.gz WFRCAMGEBHKJFW-HXUWFJFHSA-N 0 3 408.502 2.870 50 0 HFAAHN CCOc1cc(CN[C@@H]2CCN(Cc3ccccc3)C2)ccc1OCC(=O)N(C)C ZINC000022804307 568499844 /nfs/dbraw/zinc/49/98/44/568499844.db2.gz JGCSBCFCSGRBAY-OAQYLSRUSA-N 0 3 411.546 2.916 50 0 HFAAHN CCCN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 ZINC000020214210 568594653 /nfs/dbraw/zinc/59/46/53/568594653.db2.gz YUUZJYZSUMWTQD-LJQANCHMSA-N 0 3 420.941 2.539 50 0 HFAAHN CCCN1CCN(CC2=NC(=O)N[C@H](c3ccc(Cl)cc3)C2C(=O)OCC)CC1 ZINC000020214210 568594654 /nfs/dbraw/zinc/59/46/54/568594654.db2.gz YUUZJYZSUMWTQD-LJQANCHMSA-N 0 3 420.941 2.539 50 0 HFAAHN O=C(Cn1c2ccccc2c2cn[nH]c(=O)c21)NC1CCN(Cc2ccccc2)CC1 ZINC000020416292 568606081 /nfs/dbraw/zinc/60/60/81/568606081.db2.gz BRZCSRAXNUYHSA-UHFFFAOYSA-N 0 3 415.497 2.659 50 0 HFAAHN CCN(Cc1ccc2c(c1)OCO2)CC(O)CN(CC)Cc1ccc2c(c1)OCO2 ZINC000095996048 568678758 /nfs/dbraw/zinc/67/87/58/568678758.db2.gz RSSSGRFOEVGVCI-UHFFFAOYSA-N 0 3 414.502 2.849 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096344293 568737256 /nfs/dbraw/zinc/73/72/56/568737256.db2.gz QXGKXLNMLAZTSJ-GOSISDBHSA-N 0 3 417.513 2.697 50 0 HFAAHN CN(CCCNS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)Cc1ccccc1 ZINC000021881041 568757163 /nfs/dbraw/zinc/75/71/63/568757163.db2.gz MSUCJXOFDZGHRL-UHFFFAOYSA-N 0 3 401.532 2.762 50 0 HFAAHN CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005868065 568827203 /nfs/dbraw/zinc/82/72/03/568827203.db2.gz JWZSDEGUKINEGK-PMACEKPBSA-N 0 3 403.544 2.529 50 0 HFAAHN CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000003313037 568853583 /nfs/dbraw/zinc/85/35/83/568853583.db2.gz CQGJIJBRQNBCQH-FQEVSTJZSA-N 0 3 403.548 2.750 50 0 HFAAHN CCC(CC)CN1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)N1CCCCCC1 ZINC000299756539 568872866 /nfs/dbraw/zinc/87/28/66/568872866.db2.gz GOWMJCLZPTYXRC-HKUYNNGSSA-N 0 3 405.543 2.519 50 0 HFAAHN CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)CS3)CC1 ZINC000015731136 568981639 /nfs/dbraw/zinc/98/16/39/568981639.db2.gz OZEWQWQILDKYPN-OAHLLOKOSA-N 0 3 411.593 2.767 50 0 HFAAHN Cc1ccc(C)c(CN2CCC(CNS(=O)(=O)c3csc(C(N)=O)c3)CC2)c1 ZINC000015731437 568981888 /nfs/dbraw/zinc/98/18/88/568981888.db2.gz RDDJQIVLMVRORT-UHFFFAOYSA-N 0 3 421.588 2.654 50 0 HFAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 ZINC000012918923 569022721 /nfs/dbraw/zinc/02/27/21/569022721.db2.gz PJBNESQGSHVAQZ-UHFFFAOYSA-N 0 3 421.607 2.613 50 0 HFAAHN C[C@H](C(=O)NCCN(C)C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562039 569045083 /nfs/dbraw/zinc/04/50/83/569045083.db2.gz KEOJZDVTXZSPBR-AWEZNQCLSA-N 0 3 404.942 2.987 50 0 HFAAHN Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000239025428 569053929 /nfs/dbraw/zinc/05/39/29/569053929.db2.gz BOYGSTOYJMINRC-QWRGUYRKSA-N 0 3 409.250 2.840 50 0 HFAAHN C[C@H](C(=O)NCCN(C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839592 569105239 /nfs/dbraw/zinc/10/52/39/569105239.db2.gz VGHSNBSYLTUHAB-QGZVFWFLSA-N 0 3 417.513 2.697 50 0 HFAAHN CCN(CC)C(=O)c1cc(NC(=O)c2cccc(Cl)c2)cnc1N1CCNCC1 ZINC000065025441 569156352 /nfs/dbraw/zinc/15/63/52/569156352.db2.gz MEDQPQGRESLOLV-UHFFFAOYSA-N 0 3 415.925 2.879 50 0 HFAAHN CN(C)c1ncncc1N1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000065226179 569199806 /nfs/dbraw/zinc/19/98/06/569199806.db2.gz DSUKAGSODRFVOQ-UHFFFAOYSA-N 0 3 422.577 2.540 50 0 HFAAHN CCc1nc2cc(N3CCC[C@H](C(=O)NCCN4CCCC4)C3)cnc2nc1CC ZINC000065227318 569200274 /nfs/dbraw/zinc/20/02/74/569200274.db2.gz SRLNCLFIQVAFTB-KRWDZBQOSA-N 0 3 410.566 2.578 50 0 HFAAHN O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCCN1CCCCC1 ZINC000065245361 569205121 /nfs/dbraw/zinc/20/51/21/569205121.db2.gz WYZHWQGJHWCBEV-SFHVURJKSA-N 0 3 400.571 2.650 50 0 HFAAHN CCCN1CCN(CCNc2nnc(-c3nnc(C4CC4)o3)c3ccccc32)CC1 ZINC000065258233 569210098 /nfs/dbraw/zinc/21/00/98/569210098.db2.gz ZSEPRYGVNNQHJJ-UHFFFAOYSA-N 0 3 407.522 2.997 50 0 HFAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000007065590 569217220 /nfs/dbraw/zinc/21/72/20/569217220.db2.gz CWURXMFBJROEIT-UHFFFAOYSA-N 0 3 421.950 2.772 50 0 HFAAHN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000249696525 569255358 /nfs/dbraw/zinc/25/53/58/569255358.db2.gz SSKZODUQLBCJAM-UKDJSQQHSA-N 0 3 415.493 2.528 50 0 HFAAHN N=C1NC(SCC(=O)N2CCc3ccccc32)=N[C@H](c2c[nH]c3ccccc32)N1 ZINC000013579257 569256502 /nfs/dbraw/zinc/25/65/02/569256502.db2.gz WPQZUWVPGNPVPG-LJQANCHMSA-N 0 3 404.499 2.763 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252498838 569387656 /nfs/dbraw/zinc/38/76/56/569387656.db2.gz RNEWONJCLMSXPD-MJGOQNOKSA-N 0 3 408.502 2.850 50 0 HFAAHN CCn1c(=O)[nH]c2cc(C(=O)N3c4ccccc4CC[C@H]3CN(C)C)ccc2c1=O ZINC000328596559 569416167 /nfs/dbraw/zinc/41/61/67/569416167.db2.gz CETYBKRYROMLTD-KRWDZBQOSA-N 0 3 406.486 2.645 50 0 HFAAHN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@@H](CC(C)C)CN(C)C ZINC000078702833 569417459 /nfs/dbraw/zinc/41/74/59/569417459.db2.gz JSEYGGYBHMMESG-KRWDZBQOSA-N 0 3 421.563 2.773 50 0 HFAAHN CCN(CC)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000079060991 569426266 /nfs/dbraw/zinc/42/62/66/569426266.db2.gz SSAVQQRKRQELKK-KSZLIROESA-N 0 3 409.596 2.813 50 0 HFAAHN CN(C)C[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H](O)c1ccccc1 ZINC000040103935 571164766 /nfs/dbraw/zinc/16/47/66/571164766.db2.gz ZIXUQTKFRRSBOV-PGRDOPGGSA-N 0 3 410.518 2.846 50 0 HFAAHN COc1ccc(CN2CCCN(c3cc(-c4cccnc4)nc4ncnn43)CC2)cc1 ZINC000040151426 571199396 /nfs/dbraw/zinc/19/93/96/571199396.db2.gz ZVMSVIMQFKZIRZ-UHFFFAOYSA-N 0 3 415.501 2.907 50 0 HFAAHN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000040157801 571204257 /nfs/dbraw/zinc/20/42/57/571204257.db2.gz YFJKAOWTBVRELA-HRCADAONSA-N 0 3 415.625 2.982 50 0 HFAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCCN1CCC(C)CC1 ZINC000069322066 571219942 /nfs/dbraw/zinc/21/99/42/571219942.db2.gz JXVBCAAHENNKCL-SFHVURJKSA-N 0 3 407.942 2.801 50 0 HFAAHN O=C([C@@H]1CC(=O)N(c2cccc3ccccc32)C1)N1CCN(c2ccncc2)CC1 ZINC000012797902 132367401 /nfs/dbraw/zinc/36/74/01/132367401.db2.gz YWIDOCWYAQZAAB-LJQANCHMSA-N 0 3 400.482 2.937 50 0 HFAAHN C[C@H](C(=O)NCCN1CCCCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944847 526051651 /nfs/dbraw/zinc/05/16/51/526051651.db2.gz FYEXAWGEKQFSJI-CQSZACIVSA-N 0 3 410.440 2.969 50 0 HFAAHN Cc1ccc2[nH]c3c(cnn(CC(=O)N4CCN(C5CCCCC5)CC4)c3=O)c2c1 ZINC000020574542 526110316 /nfs/dbraw/zinc/11/03/16/526110316.db2.gz NIAQAXWGMVLGJJ-UHFFFAOYSA-N 0 3 407.518 2.663 50 0 HFAAHN COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1 ZINC000000597739 557018721 /nfs/dbraw/zinc/01/87/21/557018721.db2.gz HJUAKZYKCANOOZ-HNNXBMFYSA-N 0 3 414.333 2.911 50 0 investigational HFAAHN Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000002771079 557760426 /nfs/dbraw/zinc/76/04/26/557760426.db2.gz BOYGSTOYJMINRC-MNOVXSKESA-N 0 3 409.250 2.840 50 0 HFAAHN Cc1ccc(-n2c(=O)c(C(=O)NCCCN(C)C)cc3c2CC(C)(C)CC3=O)cc1 ZINC000002809843 557767750 /nfs/dbraw/zinc/76/77/50/557767750.db2.gz RZHADMLEROJFMU-UHFFFAOYSA-N 0 3 409.530 2.983 50 0 HFAAHN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000019744691 558265184 /nfs/dbraw/zinc/26/51/84/558265184.db2.gz VYCKYCQVVNRZER-FQEVSTJZSA-N 0 3 413.566 2.803 50 0 HFAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000011765751 558273806 /nfs/dbraw/zinc/27/38/06/558273806.db2.gz UALWNMAKMJTNRI-QFIPXVFZSA-N 0 3 402.535 2.869 50 0 HFAAHN CN(C)CCN1C(=O)C[C@@](CC(=O)N2CCCCCC2)(c2ccccc2Cl)C1=O ZINC000011783275 558274983 /nfs/dbraw/zinc/27/49/83/558274983.db2.gz ZKXVFYRRMQAGGO-QFIPXVFZSA-N 0 3 419.953 2.691 50 0 HFAAHN Cn1ccc(C(=O)NC[C@@H]2CCC3(CCN(Cc4cn(C)c5ccccc45)CC3)O2)n1 ZINC000011784418 558275630 /nfs/dbraw/zinc/27/56/30/558275630.db2.gz SNZNPNKQMILPFJ-IBGZPJMESA-N 0 3 421.545 2.855 50 0 HFAAHN Cc1ccc([C@@H](C)CCN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1 ZINC000011869478 558290168 /nfs/dbraw/zinc/29/01/68/558290168.db2.gz HIZKWWSOKIZBNV-KRWDZBQOSA-N 0 3 422.533 2.599 50 0 HFAAHN COc1cc(CN2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)cc(OC)c1OC ZINC000011871067 558290193 /nfs/dbraw/zinc/29/01/93/558290193.db2.gz UANNWUGRBFAPRM-SFHVURJKSA-N 0 3 420.550 2.998 50 0 HFAAHN Cc1ccc([C@H](C)CCN2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)o1 ZINC000011869482 558290230 /nfs/dbraw/zinc/29/02/30/558290230.db2.gz HIZKWWSOKIZBNV-QGZVFWFLSA-N 0 3 422.533 2.599 50 0 HFAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)CCCN1CCCC1=O ZINC000011879761 558294516 /nfs/dbraw/zinc/29/45/16/558294516.db2.gz ZBSHZCIABCSHCZ-UHFFFAOYSA-N 0 3 403.542 2.941 50 0 HFAAHN C[C@@H]1CN(C(=O)[C@H](N)Cc2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000019927501 558308113 /nfs/dbraw/zinc/30/81/13/558308113.db2.gz QRVTVRHQSMFYAM-DNVCBOLYSA-N 0 3 400.910 2.975 50 0 HFAAHN C[C@@H](O)c1ccc(-c2ccc(CNCCc3ccc(S(N)(=O)=O)cc3)o2)cc1 ZINC000020018585 558320540 /nfs/dbraw/zinc/32/05/40/558320540.db2.gz GHFIMGMFQDZOPF-OAHLLOKOSA-N 0 3 400.500 2.980 50 0 HFAAHN Cc1ccccc1CN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000020786122 558413911 /nfs/dbraw/zinc/41/39/11/558413911.db2.gz YIMIOBFTYNVDFQ-IBGZPJMESA-N 0 3 419.529 2.901 50 0 HFAAHN Cc1nn(CC(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)c(=O)c2ccccc12 ZINC000012457783 558417963 /nfs/dbraw/zinc/41/79/63/558417963.db2.gz NMVLKTRSZUYCFN-HXUWFJFHSA-N 0 3 404.514 2.528 50 0 HFAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CSc2ncccn2)C1 ZINC000012459713 558418854 /nfs/dbraw/zinc/41/88/54/558418854.db2.gz SQVQCNIOUJAYRN-GOSISDBHSA-N 0 3 414.575 2.990 50 0 HFAAHN COc1ccc(CN(C)Cc2cn(C)nc2C)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012591930 558436144 /nfs/dbraw/zinc/43/61/44/558436144.db2.gz JLNUTBFPLYLVOM-NRFANRHFSA-N 0 3 416.566 2.595 50 0 HFAAHN COc1ccc(Cn2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nn2)cc1 ZINC000012703550 558448772 /nfs/dbraw/zinc/44/87/72/558448772.db2.gz WLRWVAJMDYTZSV-UHFFFAOYSA-N 0 3 405.502 2.729 50 0 HFAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(C(C)C)CC1)C2 ZINC000023354040 558551082 /nfs/dbraw/zinc/55/10/82/558551082.db2.gz KCBFYXNFUMFZBQ-IBGZPJMESA-N 0 3 401.599 2.803 50 0 HFAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CN1CCN(CC)CC1 ZINC000023374618 558553949 /nfs/dbraw/zinc/55/39/49/558553949.db2.gz DRVRPSRYLCFQJZ-QFIPXVFZSA-N 0 3 418.601 2.566 50 0 HFAAHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC[C@@H](c2ccccc2)N(C)C)C(C)C)cc1 ZINC000025063798 558629913 /nfs/dbraw/zinc/62/99/13/558629913.db2.gz PUPJYSSKEZZIHI-LEWJYISDSA-N 0 3 417.575 2.717 50 0 HFAAHN COc1ccc([C@H](CNC[C@@H](O)COc2ccc(CCC(C)=O)cc2)N(C)C)cc1 ZINC000025637852 558646388 /nfs/dbraw/zinc/64/63/88/558646388.db2.gz QPOVKMZOMXTZPS-QPPBQGQZSA-N 0 3 414.546 2.849 50 0 HFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 ZINC000014531581 558656235 /nfs/dbraw/zinc/65/62/35/558656235.db2.gz GFBJCXUBKISHHN-IBGZPJMESA-N 0 3 414.525 2.798 50 0 HFAAHN COc1ccccc1CNC(=O)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000014541383 558660103 /nfs/dbraw/zinc/66/01/03/558660103.db2.gz CFKLWVIMNSUJOA-VQTJNVASSA-N 0 3 407.514 2.665 50 0 HFAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3ccc(O)cc3)CC2)C1=O ZINC000014744287 558668299 /nfs/dbraw/zinc/66/82/99/558668299.db2.gz PMJSJOVBXKPXAF-UHFFFAOYSA-N 0 3 423.513 2.838 50 0 HFAAHN COc1ccc(CCN2C(=O)N(C)C(=O)C23CCN(Cc2cccc(O)c2)CC3)cc1 ZINC000014748881 558670138 /nfs/dbraw/zinc/67/01/38/558670138.db2.gz CEQYTAUOBDNBKI-UHFFFAOYSA-N 0 3 423.513 2.872 50 0 HFAAHN Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)N4CCOCC4)nn3CC(C)C)C2)o1 ZINC000014749262 558670407 /nfs/dbraw/zinc/67/04/07/558670407.db2.gz WYHWHJLAXZBUFL-QGZVFWFLSA-N 0 3 400.523 2.560 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000014979022 558690360 /nfs/dbraw/zinc/69/03/60/558690360.db2.gz IDPGZEHKSXHLNV-JOCHJYFZSA-N 0 3 414.594 2.986 50 0 HFAAHN CCCN1CCN([C@H](C)CCCN(C(=O)c2cnn3ccc(C)nc23)C2CC2)CC1 ZINC000072305490 558758055 /nfs/dbraw/zinc/75/80/55/558758055.db2.gz XYFRGFZPTWRKAG-LJQANCHMSA-N 0 3 412.582 2.839 50 0 HFAAHN Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@@H]4CN(C)CC[C@@H]43)n2)cc1 ZINC000004594094 558831901 /nfs/dbraw/zinc/83/19/01/558831901.db2.gz TZMMNMNLKAIQRX-FPOVZHCZSA-N 0 3 402.502 2.791 50 0 HFAAHN Cc1cccc(N2CCN(CCNC(=O)C3CCN(c4ccncc4)CC3)CC2)c1C ZINC000033129037 558882884 /nfs/dbraw/zinc/88/28/84/558882884.db2.gz NABDENDCLXWXLE-UHFFFAOYSA-N 0 3 421.589 2.853 50 0 HFAAHN CN1CCN(CCCNC(=O)CCCNC(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000033135568 558888176 /nfs/dbraw/zinc/88/81/76/558888176.db2.gz LZRJOVREYKCMMD-HSZRJFAPSA-N 0 3 422.573 2.692 50 0 HFAAHN CN1CCCN(c2ccc(NC(=O)NCc3noc(-c4ccco4)n3)cc2F)CC1 ZINC000058344545 558921094 /nfs/dbraw/zinc/92/10/94/558921094.db2.gz XBVCNRVYYVEMHV-UHFFFAOYSA-N 0 3 414.441 2.932 50 0 HFAAHN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000065362910 558973983 /nfs/dbraw/zinc/97/39/83/558973983.db2.gz DLSVBYKBJPTNDJ-UHFFFAOYSA-N 0 3 419.522 2.540 50 0 HFAAHN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCN(C)CC3)c2)CC1 ZINC000067602025 558987676 /nfs/dbraw/zinc/98/76/76/558987676.db2.gz USWOKYSQECYLFS-UHFFFAOYSA-N 0 3 413.971 2.585 50 0 HFAAHN Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1Cl ZINC000067604949 558988715 /nfs/dbraw/zinc/98/87/15/558988715.db2.gz JDADBHWRKKBSAJ-UHFFFAOYSA-N 0 3 404.902 2.817 50 0 HFAAHN COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000023127535 559015880 /nfs/dbraw/zinc/01/58/80/559015880.db2.gz ALLZVSNPZKXUJX-UHFFFAOYSA-N 0 3 415.515 2.502 50 0 HFAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3[C@H](C)CCC[C@H]3C)ccc2c1=O ZINC000004791765 559065519 /nfs/dbraw/zinc/06/55/19/559065519.db2.gz QZYOHMMGLQCTAQ-IAGOWNOFSA-N 0 3 414.550 2.873 50 0 HFAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000095498903 559081907 /nfs/dbraw/zinc/08/19/07/559081907.db2.gz SPRYSVHIFDUCFH-MRXNPFEDSA-N 0 3 400.523 2.827 50 0 HFAAHN Cc1cccc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512683 559084276 /nfs/dbraw/zinc/08/42/76/559084276.db2.gz PVEMXEDYAGBFPM-QFIPXVFZSA-N 0 3 408.546 2.901 50 0 HFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2nc3ccccc3o2)CC1 ZINC000095522256 559085499 /nfs/dbraw/zinc/08/54/99/559085499.db2.gz PGDWYFMFKCFSHH-GOSISDBHSA-N 0 3 401.507 2.807 50 0 HFAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000095531206 559086995 /nfs/dbraw/zinc/08/69/95/559086995.db2.gz UQFAUZKHBPPTRI-HXUWFJFHSA-N 0 3 401.551 2.528 50 0 HFAAHN CCOC(=O)c1cnn(-c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)c1 ZINC000095704766 559088086 /nfs/dbraw/zinc/08/80/86/559088086.db2.gz APOJMYHWQWPYGB-UHFFFAOYSA-N 0 3 401.467 2.501 50 0 HFAAHN COc1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCSC3)CC2)cc1Cl ZINC000225573876 559189307 /nfs/dbraw/zinc/18/93/07/559189307.db2.gz AGGBXHAPIAKQCF-CQSZACIVSA-N 0 3 404.985 2.844 50 0 HFAAHN Cc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1Cl ZINC000004851646 559191162 /nfs/dbraw/zinc/19/11/62/559191162.db2.gz NATYMDVIVZZTFP-UHFFFAOYSA-N 0 3 420.966 2.986 50 0 HFAAHN Cc1cc(C)cc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c1 ZINC000004851742 559191277 /nfs/dbraw/zinc/19/12/77/559191277.db2.gz KEZQJOVVZIFFIT-UHFFFAOYSA-N 0 3 400.548 2.641 50 0 HFAAHN C[C@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)C1 ZINC000004971565 559220553 /nfs/dbraw/zinc/22/05/53/559220553.db2.gz QXVMKCCDNUPOGW-KRWDZBQOSA-N 0 3 419.591 2.776 50 0 HFAAHN CCc1ccc(CN2CCc3c(C(=O)NC[C@@H]4C[C@H](F)CN4)csc3C2)nc1 ZINC000426571363 559274754 /nfs/dbraw/zinc/27/47/54/559274754.db2.gz COTFALIZLUIZEF-RDJZCZTQSA-N 0 3 402.539 2.694 50 0 HFAAHN CN(C)C[C@@H](CNC(=O)Nc1nnc(-c2ccccn2)s1)[C@H](O)c1ccccc1 ZINC000047791040 568431212 /nfs/dbraw/zinc/43/12/12/568431212.db2.gz VVTIHQNPKPWGNT-NVXWUHKLSA-N 0 3 412.519 2.633 50 0 HFAAHN CC[C@H]1CN(CC(=O)NCC2CCN(CCOC)CC2)Cc2ccc(Cl)cc2O1 ZINC000012282871 568457893 /nfs/dbraw/zinc/45/78/93/568457893.db2.gz YWJGEMULOKHVGA-FQEVSTJZSA-N 0 3 423.985 2.788 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3ccccc3C)o2)CC1 ZINC000020514645 568622581 /nfs/dbraw/zinc/62/25/81/568622581.db2.gz OGSJYMQOSOGLAL-LJAQVGFWSA-N 0 3 417.575 2.653 50 0 HFAAHN Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000095480512 568633215 /nfs/dbraw/zinc/63/32/15/568633215.db2.gz OBALFUYGOUTBNG-UHFFFAOYSA-N 0 3 408.477 2.625 50 0 HFAAHN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCCN1CCN(C)CC1 ZINC000020933797 568652159 /nfs/dbraw/zinc/65/21/59/568652159.db2.gz CVUOPPGRCPQRNA-UHFFFAOYSA-N 0 3 420.561 2.647 50 0 HFAAHN CC(C)[C@H](NCC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000095973193 568672110 /nfs/dbraw/zinc/67/21/10/568672110.db2.gz ZXZVQPKQZOOLEO-AWEZNQCLSA-N 0 3 405.503 2.789 50 0 HFAAHN CC(C)[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1nc(-c2nc[n-]n2)no1 ZINC000095973193 568672113 /nfs/dbraw/zinc/67/21/13/568672113.db2.gz ZXZVQPKQZOOLEO-AWEZNQCLSA-N 0 3 405.503 2.789 50 0 HFAAHN Cc1nc2ccccn2c(=O)c1CCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000225846603 568679889 /nfs/dbraw/zinc/67/98/89/568679889.db2.gz MBWMPEIQUJKFIA-SFHVURJKSA-N 0 3 406.534 2.743 50 0 HFAAHN O=C(NCCN1CCCC[C@@H]1CO)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000670439910 568889660 /nfs/dbraw/zinc/88/96/60/568889660.db2.gz RTGJEPZUNMKERY-XMMPIXPASA-N 0 3 407.558 2.822 50 0 HFAAHN CN(C)CCn1cc(NC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)cn1 ZINC000083851155 568919735 /nfs/dbraw/zinc/91/97/35/568919735.db2.gz MPFAQHLXFBYVFA-UHFFFAOYSA-N 0 3 411.437 2.953 50 0 HFAAHN Cc1ccc(-c2noc([C@@H](C)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)n2)cc1F ZINC000084185374 568943374 /nfs/dbraw/zinc/94/33/74/568943374.db2.gz OQEJKKOSLGLSTG-RDTXWAMCSA-N 0 3 401.486 2.659 50 0 HFAAHN CCN(CC)[C@H](CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1ccsc1 ZINC000084771079 568958712 /nfs/dbraw/zinc/95/87/12/568958712.db2.gz VIBMZUSQZLMIOF-ZMMAXQRCSA-N 0 3 424.636 2.973 50 0 HFAAHN CN1CCC(N2CCN(Cc3ccc4cc(Cl)ccc4n3)C[C@H]2CCO)CC1 ZINC000104487228 569008940 /nfs/dbraw/zinc/00/89/40/569008940.db2.gz QUSMPWLUHSTKSC-OAQYLSRUSA-N 0 3 402.970 2.851 50 0 HFAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000016259403 569030315 /nfs/dbraw/zinc/03/03/15/569030315.db2.gz NSASTICUGXFBQW-OAQYLSRUSA-N 0 3 402.498 2.910 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000053576130 569031574 /nfs/dbraw/zinc/03/15/74/569031574.db2.gz WRUIRRNXRDGFFO-QFIPXVFZSA-N 0 3 405.542 2.858 50 0 HFAAHN O=C(NCCN1CCCC1)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000035447383 569037342 /nfs/dbraw/zinc/03/73/42/569037342.db2.gz SUNMINXRHSKLJE-UHFFFAOYSA-N 0 3 403.914 2.818 50 0 HFAAHN COc1ccc(CCN(C)C[C@H](O)COc2ccc(C(C)=O)cc2OC)cc1OC ZINC000006552209 569065276 /nfs/dbraw/zinc/06/52/76/569065276.db2.gz VIPVWGRBEZSTKS-IBGZPJMESA-N 0 3 417.502 2.829 50 0 HFAAHN O=C(CN1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O)N1CCCCC1 ZINC000426444621 569073040 /nfs/dbraw/zinc/07/30/40/569073040.db2.gz OZXIXTGZRZKTSB-QFIPXVFZSA-N 0 3 405.489 2.792 50 0 HFAAHN Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COCc2ccco2)c(C)c1 ZINC000036098862 569091017 /nfs/dbraw/zinc/09/10/17/569091017.db2.gz QXUNAOORYKABSS-JOCHJYFZSA-N 0 3 402.535 2.608 50 0 HFAAHN CCCN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H](O)COCC ZINC000036151080 569100537 /nfs/dbraw/zinc/10/05/37/569100537.db2.gz ZKTBMICFAZJBFS-LJQANCHMSA-N 0 3 403.523 2.788 50 0 HFAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN3CCC(C)CC3)c(=O)c21 ZINC000006900162 569176202 /nfs/dbraw/zinc/17/62/02/569176202.db2.gz ODRUWZQFSPWVJA-UHFFFAOYSA-N 0 3 409.534 2.609 50 0 HFAAHN O=C(C1CCN(c2cnc3nccnc3c2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000065227393 569200363 /nfs/dbraw/zinc/20/03/63/569200363.db2.gz OGFWEQDJIAGQIY-UHFFFAOYSA-N 0 3 408.550 2.718 50 0 HFAAHN CN(CCc1ccccn1)C(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256266 569208210 /nfs/dbraw/zinc/20/82/10/569208210.db2.gz IUUJAZADILOTRS-JOCHJYFZSA-N 0 3 401.514 2.942 50 0 HFAAHN CN(CCc1ccccn1)C(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256265 569208264 /nfs/dbraw/zinc/20/82/64/569208264.db2.gz IUUJAZADILOTRS-QFIPXVFZSA-N 0 3 401.514 2.942 50 0 HFAAHN Cc1nn(C)cc1CN(C)C(=O)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256350 569208453 /nfs/dbraw/zinc/20/84/53/569208453.db2.gz ZOBBZUUTZHLLFT-OAQYLSRUSA-N 0 3 404.518 2.547 50 0 HFAAHN N=C1NC(SCC(=O)N2CCc3ccccc32)=N[C@@H](c2c[nH]c3ccccc32)N1 ZINC000013579256 569256441 /nfs/dbraw/zinc/25/64/41/569256441.db2.gz WPQZUWVPGNPVPG-IBGZPJMESA-N 0 3 404.499 2.763 50 0 HFAAHN O=C(CC1N=NC(=S)N1Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000014168481 569258745 /nfs/dbraw/zinc/25/87/45/569258745.db2.gz NWJZGZMUNJSJFM-UHFFFAOYSA-N 0 3 421.570 2.938 50 0 HFAAHN N=C1Nc2nc3cc4c(cc3n2C2(CCN(Cc3ccccc3)CC2)N1)OCCCO4 ZINC000007738310 569305173 /nfs/dbraw/zinc/30/51/73/569305173.db2.gz YIEDHLSORSDQBA-UHFFFAOYSA-N 0 3 418.501 2.696 50 0 HFAAHN Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000054969015 569372271 /nfs/dbraw/zinc/37/22/71/569372271.db2.gz BOYGSTOYJMINRC-WDEREUQCSA-N 0 3 409.250 2.840 50 0 HFAAHN O=C(NCCN1CCCCCC1)c1cccn2c(I)cnc12 ZINC000079021756 569424342 /nfs/dbraw/zinc/42/43/42/569424342.db2.gz YSIWQSDJKCNQTC-UHFFFAOYSA-N 0 3 412.275 2.545 50 0 HFAAHN CCCCc1ccc(C(=O)N[C@@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000008764769 571114999 /nfs/dbraw/zinc/11/49/99/571114999.db2.gz IGBJBLRTTQFEDU-KRWDZBQOSA-N 0 3 423.561 2.534 50 0 biogenic HFAAHN O=C(Cc1csc(NC(=O)Cc2cccs2)n1)NCCN1CCCCCC1 ZINC000040090333 571160759 /nfs/dbraw/zinc/16/07/59/571160759.db2.gz RYEZPUVMHFIFHT-UHFFFAOYSA-N 0 3 406.577 2.921 50 0 HFAAHN CN(C)C[C@H](CNC(=O)Nc1ccccc1N1CCCC1=O)[C@@H](O)c1ccccc1 ZINC000040104188 571165058 /nfs/dbraw/zinc/16/50/58/571165058.db2.gz WDWHNWKKIORFPD-AVRDEDQJSA-N 0 3 410.518 2.846 50 0 HFAAHN COCCN(C[C@H]1CN(Cc2ccco2)C[C@H]1c1cccc(F)c1)C(=O)COC ZINC000245343462 571226088 /nfs/dbraw/zinc/22/60/88/571226088.db2.gz PLVKDHZHXBTYPY-NQIIRXRSSA-N 0 3 404.482 2.756 50 0 HFAAHN COc1cccc(CCN2CCC(CNC(=O)Cn3c4ccccc4oc3=O)CC2)c1 ZINC000009688528 571280044 /nfs/dbraw/zinc/28/00/44/571280044.db2.gz RCYRCURHOTXZJB-UHFFFAOYSA-N 0 3 423.513 2.674 50 0 HFAAHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cc(Cl)ccc2C)cc1 ZINC000010111547 571295143 /nfs/dbraw/zinc/29/51/43/571295143.db2.gz BDRBTFXZRCCWKG-UHFFFAOYSA-N 0 3 423.966 2.830 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2CN(C)C)s1 ZINC000071795981 571301420 /nfs/dbraw/zinc/30/14/20/571301420.db2.gz FKMKYVGJPXZKEJ-GOSISDBHSA-N 0 3 421.588 2.588 50 0 HFAAHN CCN1CCN(Cc2ccc(CNS(=O)(=O)c3cc(F)cc(F)c3)cc2)CC1 ZINC000032932856 521688318 /nfs/dbraw/zinc/68/83/18/521688318.db2.gz YASNSFGVIYFDAF-UHFFFAOYSA-N 0 3 409.502 2.581 50 0 HFAAHN COc1ccccc1OCCNC[C@H](O)COc1cc(C)c(OC(C)=O)c(C)c1C ZINC000005679102 557668561 /nfs/dbraw/zinc/66/85/61/557668561.db2.gz YMKUKKPQJBECRH-IBGZPJMESA-N 0 3 417.502 2.954 50 0 HFAAHN Cc1ccc2[nH]c3c(cnn(CC(=O)NCCCN(C)Cc4ccccc4)c3=O)c2c1 ZINC000006997724 557732925 /nfs/dbraw/zinc/73/29/25/557732925.db2.gz BIVVHXRRHQUFRC-UHFFFAOYSA-N 0 3 417.513 2.825 50 0 HFAAHN C[C@H](CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)c1ccccc1 ZINC000011813102 558277716 /nfs/dbraw/zinc/27/77/16/558277716.db2.gz JGUKSTIKOZPTIO-GOSISDBHSA-N 0 3 421.520 2.938 50 0 HFAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1csnn1 ZINC000011844575 558289300 /nfs/dbraw/zinc/28/93/00/558289300.db2.gz MTJDEDQJMVXVPQ-INIZCTEOSA-N 0 3 405.543 2.593 50 0 HFAAHN OCCOc1ccc(CN2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000019836068 558292766 /nfs/dbraw/zinc/29/27/66/558292766.db2.gz SMIBBZBHIXASRZ-HSZRJFAPSA-N 0 3 413.537 2.983 50 0 HFAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)c1C ZINC000011937565 558301368 /nfs/dbraw/zinc/30/13/68/558301368.db2.gz UZTRXWXTYVYGIC-IBGZPJMESA-N 0 3 412.534 2.982 50 0 HFAAHN O[C@H](COc1ccccc1CNCCOc1ccccc1)CN1CCSCC1 ZINC000012073409 558318457 /nfs/dbraw/zinc/31/84/57/558318457.db2.gz NJAHAMFENUZHJD-FQEVSTJZSA-N 0 3 402.560 2.644 50 0 HFAAHN CN1CCC(N2CCN(Cc3ccc4cc(Cl)ccc4n3)C[C@@H]2CCO)CC1 ZINC000020166067 558342863 /nfs/dbraw/zinc/34/28/63/558342863.db2.gz QUSMPWLUHSTKSC-NRFANRHFSA-N 0 3 402.970 2.851 50 0 HFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2c(C)[nH]c(C(C)=O)c2C)CC1 ZINC000012386293 558395049 /nfs/dbraw/zinc/39/50/49/558395049.db2.gz IKKLFOUOEHLGFW-HXUWFJFHSA-N 0 3 419.566 2.814 50 0 HFAAHN CN(CCO)[C@@H]1CCc2c(sc3ncn(Cc4ccccc4Cl)c(=O)c32)C1 ZINC000012513030 558424283 /nfs/dbraw/zinc/42/42/83/558424283.db2.gz FDXPZKPSNVNAFV-CQSZACIVSA-N 0 3 403.935 2.941 50 0 HFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)n1 ZINC000021795864 558449669 /nfs/dbraw/zinc/44/96/69/558449669.db2.gz TZTUSLCHQSNQOC-UHFFFAOYSA-N 0 3 424.505 2.511 50 0 HFAAHN Cc1cc2ccccc2n1CCNCc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000013596591 558547377 /nfs/dbraw/zinc/54/73/77/558547377.db2.gz UYCJRPZVILVHKU-UHFFFAOYSA-N 0 3 417.513 2.860 50 0 HFAAHN COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000024362676 558596166 /nfs/dbraw/zinc/59/61/66/558596166.db2.gz ZJPPZGWPOYIDBH-UHFFFAOYSA-N 0 3 402.516 2.938 50 0 HFAAHN COc1ccc(CN(Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)Cc2cccs2)cc1 ZINC000014076977 558618031 /nfs/dbraw/zinc/61/80/31/558618031.db2.gz HBQYXHZNOLXGMF-MRXNPFEDSA-N 0 3 413.543 2.788 50 0 HFAAHN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000014534017 558657349 /nfs/dbraw/zinc/65/73/49/558657349.db2.gz GONTXVAAWUNARF-UHFFFAOYSA-N 0 3 408.502 2.909 50 0 HFAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cc(F)ccc1F)C2 ZINC000014744689 558668522 /nfs/dbraw/zinc/66/85/22/558668522.db2.gz YJDPCCOBRWNGCV-HNNXBMFYSA-N 0 3 406.502 2.534 50 0 HFAAHN COCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)CN(Cc2ccncc2)C1 ZINC000014745319 558668809 /nfs/dbraw/zinc/66/88/09/558668809.db2.gz IKFPMHJATAQRQU-VQTJNVASSA-N 0 3 415.509 2.891 50 0 HFAAHN COCCN1C(=O)N(C)C(=O)C12CCN(Cc1cnc(-c3ccccc3)s1)CC2 ZINC000014747310 558669529 /nfs/dbraw/zinc/66/95/29/558669529.db2.gz KUALRPHQLITMEJ-UHFFFAOYSA-N 0 3 414.531 2.685 50 0 HFAAHN COc1ccc(C(=O)NCc2cnn(C)c2C)cc1OC1CCN(C(C)C)CC1 ZINC000014963721 558684973 /nfs/dbraw/zinc/68/49/73/558684973.db2.gz RXWXOMFJRAEDCG-UHFFFAOYSA-N 0 3 400.523 2.919 50 0 HFAAHN CCCN1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 ZINC000014969360 558686953 /nfs/dbraw/zinc/68/69/53/558686953.db2.gz RNRFGYGHCJLBOY-KRWDZBQOSA-N 0 3 403.527 2.803 50 0 HFAAHN COc1cccc(CCNc2ncnc3sc(C(=O)NCCN(C)C)c(C)c32)c1 ZINC000015003442 558698673 /nfs/dbraw/zinc/69/86/73/558698673.db2.gz QFPVYEZSXWNNPN-UHFFFAOYSA-N 0 3 413.547 2.954 50 0 HFAAHN COc1ccccc1CN1C[C@@H](C(=O)N2CCN(C3CCCCC3)CC2)CCC1=O ZINC000015061508 558704789 /nfs/dbraw/zinc/70/47/89/558704789.db2.gz RUDVHOGVQUCTLT-FQEVSTJZSA-N 0 3 413.562 2.911 50 0 HFAAHN COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3ccsc3)cc2)CC1 ZINC000015062689 558705447 /nfs/dbraw/zinc/70/54/47/558705447.db2.gz SLKPUIUKKQWSPC-HXUWFJFHSA-N 0 3 418.559 2.663 50 0 HFAAHN CCc1c(C(=O)NCC[C@H]2CCCN2C)c(=O)cc(C)n1Cc1ccccc1OC ZINC000015071896 558713504 /nfs/dbraw/zinc/71/35/04/558713504.db2.gz ASAKIHBKHBYXPN-LJQANCHMSA-N 0 3 411.546 2.990 50 0 HFAAHN CCCC(=O)Nc1cccc(CNC(=O)CCC(=O)N(C)C2CCN(CC)CC2)c1 ZINC000072306948 558766423 /nfs/dbraw/zinc/76/64/23/558766423.db2.gz YCWRIPSKZYOXQN-UHFFFAOYSA-N 0 3 416.566 2.764 50 0 HFAAHN CC[C@H](C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000016020598 558767326 /nfs/dbraw/zinc/76/73/26/558767326.db2.gz BHKTUHAQVLFBBP-MTKRSLOGSA-N 0 3 421.472 2.792 50 0 HFAAHN CCN1CCN(CC(=O)N[C@H]2CCCN(Cc3ccc(CC(C)C)cc3)C2)CC1 ZINC000039421037 558821031 /nfs/dbraw/zinc/82/10/31/558821031.db2.gz QCZIJXAQAUVFCU-QHCPKHFHSA-N 0 3 400.611 2.603 50 0 HFAAHN Cn1c2ccccc2nc(SCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O ZINC000033006585 558827724 /nfs/dbraw/zinc/82/77/24/558827724.db2.gz IHSSIMXWRRDHJX-UHFFFAOYSA-N 0 3 422.554 2.806 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1N1CCC(=O)NC1=O ZINC000055413900 558881058 /nfs/dbraw/zinc/88/10/58/558881058.db2.gz TUYKGAUWYOBPKD-UHFFFAOYSA-N 0 3 406.486 2.527 50 0 HFAAHN CN1CCCN(c2ccc(CNC(=O)Nc3ccc(N4CCCCC4)nc3)cn2)CC1 ZINC000058279556 558916282 /nfs/dbraw/zinc/91/62/82/558916282.db2.gz RWFRFGMZBYSYCA-UHFFFAOYSA-N 0 3 423.565 2.931 50 0 HFAAHN C[C@@H]1CCCCN1CCNC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061694 558955226 /nfs/dbraw/zinc/95/52/26/558955226.db2.gz QWFJVTMKQWMPDI-OAHLLOKOSA-N 0 3 401.536 2.714 50 0 HFAAHN C/C(=C\c1ccco1)CN1CCc2nnc(CCNC(=O)c3ccc(F)cc3)n2CC1 ZINC000064074496 558961808 /nfs/dbraw/zinc/96/18/08/558961808.db2.gz SVIWNBCXNWNAGW-BMRADRMJSA-N 0 3 423.492 2.944 50 0 HFAAHN CCCCN1C(=O)C[C@H](C(=O)NC2CCN(CC)CC2)[C@H]1c1ccc(OC)cc1 ZINC000022992165 558965397 /nfs/dbraw/zinc/96/53/97/558965397.db2.gz ZGMIUGPGIPEXQA-RBBKRZOGSA-N 0 3 401.551 2.985 50 0 HFAAHN CSc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 ZINC000065362691 558973478 /nfs/dbraw/zinc/97/34/78/558973478.db2.gz CAKCYUXZPJRISP-UHFFFAOYSA-N 0 3 402.524 2.577 50 0 HFAAHN CCNc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc(C)n1 ZINC000065365033 558975947 /nfs/dbraw/zinc/97/59/47/558975947.db2.gz MBKGHZGPFQKOFO-UHFFFAOYSA-N 0 3 404.312 2.942 50 0 HFAAHN COCCN(C)CCN1CC2(CCN(Cc3ccc(Cl)c(F)c3)CC2)OC1=O ZINC000072426144 558978810 /nfs/dbraw/zinc/97/88/10/558978810.db2.gz RNXJXLRXFLRCDJ-UHFFFAOYSA-N 0 3 413.921 2.844 50 0 HFAAHN Cc1nc(C)c(C(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)s1 ZINC000067629803 558990209 /nfs/dbraw/zinc/99/02/09/558990209.db2.gz PXZHHXDAHNDJNQ-UHFFFAOYSA-N 0 3 400.552 2.811 50 0 HFAAHN Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@@H](C)CC4)[nH]c3=O)nc2s1 ZINC000077565005 559009308 /nfs/dbraw/zinc/00/93/08/559009308.db2.gz MCCMXWNTIIOCEH-CQSZACIVSA-N 0 3 413.547 2.945 50 0 HFAAHN COc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1Cl ZINC000023127487 559015898 /nfs/dbraw/zinc/01/58/98/559015898.db2.gz YRPDSXXOPDZBBB-UHFFFAOYSA-N 0 3 405.882 2.909 50 0 HFAAHN O=S(=O)(NCC1CCN([C@@H]2CCSC2)CC1)c1ccccc1Br ZINC000225574019 559189226 /nfs/dbraw/zinc/18/92/26/559189226.db2.gz HOQUOZXQYAGFTE-CQSZACIVSA-N 0 3 419.410 2.945 50 0 HFAAHN CN(CCCNC(=O)Cn1ncc2c1c1ccccc1oc2=O)Cc1ccccc1 ZINC000005004119 559226783 /nfs/dbraw/zinc/22/67/83/559226783.db2.gz XAOODYIAHGFJGM-UHFFFAOYSA-N 0 3 404.470 2.781 50 0 HFAAHN CC(C)NC(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCN(C)CC2)CC1 ZINC000037525231 559249554 /nfs/dbraw/zinc/24/95/54/559249554.db2.gz KWZIZODJDIEJNC-UHFFFAOYSA-N 0 3 415.582 2.529 50 0 HFAAHN COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000049400779 568447685 /nfs/dbraw/zinc/44/76/85/568447685.db2.gz IAVJLDZWDOQSKZ-UHFFFAOYSA-N 0 3 418.497 2.757 50 0 HFAAHN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(NC(C)=O)cc1)Cc1ccccc1 ZINC000024688176 568456667 /nfs/dbraw/zinc/45/66/67/568456667.db2.gz VETRIYPZUGDRHQ-FQEVSTJZSA-N 0 3 403.548 2.876 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2cc3c(s2)c2cc(C)ccc2[nH]c3=O)CC1 ZINC000020329267 568599082 /nfs/dbraw/zinc/59/90/82/568599082.db2.gz IWVVYLORFBKBLH-UHFFFAOYSA-N 0 3 412.559 2.809 50 0 HFAAHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000095407516 568606288 /nfs/dbraw/zinc/60/62/88/568606288.db2.gz KROSTEAXRXFXIJ-IAGOWNOFSA-N 0 3 406.552 2.562 50 0 HFAAHN C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000095459044 568619262 /nfs/dbraw/zinc/61/92/62/568619262.db2.gz GYSFYMGFMMZCDH-OAHLLOKOSA-N 0 3 403.914 2.779 50 0 HFAAHN CC1(C)CCc2ccccc2[C@@H]1NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000095462669 568621738 /nfs/dbraw/zinc/62/17/38/568621738.db2.gz HQFVUOHYWDFFJU-NRFANRHFSA-N 0 3 413.543 2.526 50 0 HFAAHN COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](CN(C)C)c2ccccc2)c1C ZINC000225434959 568637701 /nfs/dbraw/zinc/63/77/01/568637701.db2.gz GRPYPCSHCHPENR-SFHVURJKSA-N 0 3 401.507 2.510 50 0 HFAAHN CC[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](CC)CN1CC(C)(C)O ZINC000225524580 568647108 /nfs/dbraw/zinc/64/71/08/568647108.db2.gz FVMMINMOUJMXMZ-KGLIPLIRSA-N 0 3 405.465 2.923 50 0 HFAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)NC(=O)NC3CCCC3)c(C)c2)CC1 ZINC000012535618 568845449 /nfs/dbraw/zinc/84/54/49/568845449.db2.gz CGEMNNOAUGAXDG-QGZVFWFLSA-N 0 3 401.555 2.706 50 0 HFAAHN COC(=O)c1ccc(CN2CC[C@H]3[C@H](CCCN3C(=O)c3cc(C)nn3C)C2)cc1 ZINC000299799252 568876517 /nfs/dbraw/zinc/87/65/17/568876517.db2.gz RRNAKGZILMCGQP-UXHICEINSA-N 0 3 410.518 2.642 50 0 HFAAHN Cn1nc2cccc(S(=O)(=O)NC[C@H](c3ccccc3)N3CCCCCC3)c2n1 ZINC000670446533 568913200 /nfs/dbraw/zinc/91/32/00/568913200.db2.gz RMMSQWGXNZGVCH-LJQANCHMSA-N 0 3 413.547 2.864 50 0 HFAAHN CCN(CC)[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1ccccc1 ZINC000012760391 568945220 /nfs/dbraw/zinc/94/52/20/568945220.db2.gz DDGHDQBPRXAIMV-SFHVURJKSA-N 0 3 409.939 2.800 50 0 HFAAHN O=C1NCCN1c1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000020207221 569007914 /nfs/dbraw/zinc/00/79/14/569007914.db2.gz RJDOYZNLSAFNHC-XMMPIXPASA-N 0 3 422.573 2.718 50 0 HFAAHN CC[C@H](C)[C@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015959310 569024794 /nfs/dbraw/zinc/02/47/94/569024794.db2.gz IBXANRPQRNBPCR-BTRAQTFYSA-N 0 3 403.482 2.653 50 0 biogenic HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000053576127 569031601 /nfs/dbraw/zinc/03/16/01/569031601.db2.gz WRUIRRNXRDGFFO-JOCHJYFZSA-N 0 3 405.542 2.858 50 0 HFAAHN CCOc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)NC3CC3)cs2)cc1OC ZINC000036391641 569167210 /nfs/dbraw/zinc/16/72/10/569167210.db2.gz RTQQLOCUAIPNRS-GFCCVEGCSA-N 0 3 424.544 2.799 50 0 HFAAHN CCC(=O)N1[C@H](C(=O)NCCc2ccc(Cl)cc2)CSC12CCN(C)CC2 ZINC000006943433 569186958 /nfs/dbraw/zinc/18/69/58/569186958.db2.gz DHDBDFYNNWGBGC-KRWDZBQOSA-N 0 3 409.983 2.775 50 0 HFAAHN O=C(NCc1ccc2c(c1)OCO2)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255835 569207998 /nfs/dbraw/zinc/20/79/98/569207998.db2.gz ZLEUCDLDHRRZSM-HXUWFJFHSA-N 0 3 416.481 2.891 50 0 HFAAHN COc1ccc(NC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1 ZINC000013579093 569256354 /nfs/dbraw/zinc/25/63/54/569256354.db2.gz YGIHNLSJBXZQOJ-GOSISDBHSA-N 0 3 408.487 2.821 50 0 HFAAHN CCn1c(=O)[nH]c2cc(C(=O)N3c4ccccc4CC[C@@H]3CN(C)C)ccc2c1=O ZINC000328596560 569416184 /nfs/dbraw/zinc/41/61/84/569416184.db2.gz CETYBKRYROMLTD-QGZVFWFLSA-N 0 3 406.486 2.645 50 0 HFAAHN COc1cc2c(c3oc(=O)c(CCC(=O)NCCN(C)C)c(C)c13)CCC(C)(C)O2 ZINC000008765406 571115280 /nfs/dbraw/zinc/11/52/80/571115280.db2.gz ZKHZBHRJEBPRRH-UHFFFAOYSA-N 0 3 416.518 2.824 50 0 biogenic HFAAHN O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1 ZINC000039229365 571121987 /nfs/dbraw/zinc/12/19/87/571121987.db2.gz ZRVZAYCNPSNWPI-HXUWFJFHSA-N 0 3 416.481 2.891 50 0 HFAAHN CCN1CCN(Cc2ccccc2CNC(=O)CSCc2c(C)noc2C)CC1 ZINC000040089839 571159788 /nfs/dbraw/zinc/15/97/88/571159788.db2.gz YPGJBPMYIRFGKO-UHFFFAOYSA-N 0 3 416.591 2.979 50 0 HFAAHN CN(C)CCN(CCc1ccccc1)C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000040107794 571167753 /nfs/dbraw/zinc/16/77/53/571167753.db2.gz FFVWZNMUXMRQJO-UHFFFAOYSA-N 0 3 409.530 2.825 50 0 HFAAHN O=C(CCc1ccccc1)NC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000040120485 571176661 /nfs/dbraw/zinc/17/66/61/571176661.db2.gz OKRLNINPEVFNBD-UHFFFAOYSA-N 0 3 419.525 2.886 50 0 HFAAHN CCCC[C@@H]1CN(CC(=O)NC[C@H]2CCN(CCOC)C2)Cc2ccccc2O1 ZINC000244758091 571206936 /nfs/dbraw/zinc/20/69/36/571206936.db2.gz OSFLDXAZVINGPV-TZIWHRDSSA-N 0 3 403.567 2.524 50 0 HFAAHN CCCCc1ccc(C(=O)NCCC(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000009059664 571217258 /nfs/dbraw/zinc/21/72/58/571217258.db2.gz MFTVAQJBTJAKCF-UHFFFAOYSA-N 0 3 423.561 2.536 50 0 HFAAHN Cc1c(C(=O)N2CCOCC2)nnn1-c1cccc2c1CCN(Cc1ccccc1)C2 ZINC000069878040 571248074 /nfs/dbraw/zinc/24/80/74/571248074.db2.gz UPVVFKFKDMFSQB-UHFFFAOYSA-N 0 3 417.513 2.606 50 0 HFAAHN COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)N(C)C ZINC000010333717 571300685 /nfs/dbraw/zinc/30/06/85/571300685.db2.gz TXQLKAAIGGUDDQ-NRFANRHFSA-N 0 3 405.498 2.884 50 0 HFAAHN O=C1c2cccc(N3CCN(C[C@H]4CC=CCC4)CC3)c2C(=O)N1CCn1cccn1 ZINC000012152212 132355195 /nfs/dbraw/zinc/35/51/95/132355195.db2.gz KIIGJUWADWUONC-IBGZPJMESA-N 0 3 419.529 2.658 50 0 HFAAHN COC(=O)c1cc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)ccc1OC ZINC000032862513 521849670 /nfs/dbraw/zinc/84/96/70/521849670.db2.gz OJCNWTOCQSTYDX-UHFFFAOYSA-N 0 3 411.502 2.946 50 0 HFAAHN COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCC[C@@H](C)C1 ZINC000045744839 523506994 /nfs/dbraw/zinc/50/69/94/523506994.db2.gz RSDJLFMZGVKTPB-CYBMUJFWSA-N 0 3 405.358 2.858 50 0 HFAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000002318951 557336900 /nfs/dbraw/zinc/33/69/00/557336900.db2.gz AUNMDPWWHUFEKV-SFHVURJKSA-N 0 3 400.862 2.981 50 0 HFAAHN COc1cc(OC)c(OC)cc1CNCCSc1nnnn1-c1ccccc1 ZINC000004993783 557622273 /nfs/dbraw/zinc/62/22/73/557622273.db2.gz LYUBGAZHTMHXNY-UHFFFAOYSA-N 0 3 401.492 2.570 50 0 HFAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1 ZINC000006673257 557713614 /nfs/dbraw/zinc/71/36/14/557713614.db2.gz UEEQDNUYZNAEEG-UHFFFAOYSA-N 0 3 403.523 2.820 50 0 HFAAHN O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CCN2CCC[C@H]2C1 ZINC000002771122 557760405 /nfs/dbraw/zinc/76/04/05/557760405.db2.gz AXLNGJKWOCQWFB-LBPRGKRZSA-N 0 3 405.380 2.928 50 0 HFAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)NC[C@H]3CCCO3)co2)c(C)c1 ZINC000046175196 557820092 /nfs/dbraw/zinc/82/00/92/557820092.db2.gz CBKUOCHMNHAEGV-DOTOQJQBSA-N 0 3 406.504 2.557 50 0 HFAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000022894687 557847817 /nfs/dbraw/zinc/84/78/17/557847817.db2.gz OUPHJXVVVIOSPY-JOCHJYFZSA-N 0 3 406.530 2.887 50 0 HFAAHN O=C(NCCCN1CCCC[C@@H]1CO)c1cc(COc2ccc3ncccc3c2)on1 ZINC000011668042 558269864 /nfs/dbraw/zinc/26/98/64/558269864.db2.gz PUPQCGIIOQSRRZ-GOSISDBHSA-N 0 3 424.501 2.769 50 0 HFAAHN CCOc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cc1 ZINC000011813202 558277954 /nfs/dbraw/zinc/27/79/54/558277954.db2.gz IHIYLARYSIQVOG-SFTDATJTSA-N 0 3 402.535 2.894 50 0 HFAAHN OCCOc1ccc(CN2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000019836070 558292780 /nfs/dbraw/zinc/29/27/80/558292780.db2.gz SMIBBZBHIXASRZ-QHCPKHFHSA-N 0 3 413.537 2.983 50 0 HFAAHN Cc1ccc(CN2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)s1 ZINC000019836805 558293177 /nfs/dbraw/zinc/29/31/77/558293177.db2.gz XGIHJVPAIVBTAW-UHFFFAOYSA-N 0 3 401.580 2.945 50 0 HFAAHN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CC[C@H](N(C)C)C4)c3C3CC3)n2)o1 ZINC000012278998 558364891 /nfs/dbraw/zinc/36/48/91/558364891.db2.gz DUDAIWODOQPWTO-INIZCTEOSA-N 0 3 406.490 2.884 50 0 HFAAHN O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(C2CSCCSC2)C1 ZINC000012298928 558369023 /nfs/dbraw/zinc/36/90/23/558369023.db2.gz KEQQYIIGDCDSOQ-QGZVFWFLSA-N 0 3 400.635 2.667 50 0 HFAAHN O=C(c1cc(COc2ccccc2F)[nH]n1)N1CCC(N2CCSCC2)CC1 ZINC000012307363 558375864 /nfs/dbraw/zinc/37/58/64/558375864.db2.gz USRFQNASTPBIAA-UHFFFAOYSA-N 0 3 404.511 2.781 50 0 HFAAHN O=C(c1cc(COc2ccccc2F)n[nH]1)N1CCC(N2CCSCC2)CC1 ZINC000012307363 558375866 /nfs/dbraw/zinc/37/58/66/558375866.db2.gz USRFQNASTPBIAA-UHFFFAOYSA-N 0 3 404.511 2.781 50 0 HFAAHN COc1ccc(CN2CCN(CCC(C)C)[C@@H](CCO)C2)cc1Cn1cccn1 ZINC000020515027 558382577 /nfs/dbraw/zinc/38/25/77/558382577.db2.gz RLIKPWCLXRAUBV-QFIPXVFZSA-N 0 3 400.567 2.855 50 0 HFAAHN COc1cccc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)c1 ZINC000012389145 558396725 /nfs/dbraw/zinc/39/67/25/558396725.db2.gz BLXUNEQGRCFUSH-IBGZPJMESA-N 0 3 407.514 2.829 50 0 HFAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cnn(C)c3)C2)c(OC)c1 ZINC000012429480 558404528 /nfs/dbraw/zinc/40/45/28/558404528.db2.gz AWZDBJKBRMHIHB-QGZVFWFLSA-N 0 3 400.523 2.746 50 0 HFAAHN COc1ccc(CN(C)Cc2cc[nH]n2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012447518 558414953 /nfs/dbraw/zinc/41/49/53/558414953.db2.gz VIRBOKCCHCJWGA-JOCHJYFZSA-N 0 3 424.545 2.922 50 0 HFAAHN C/C(=C\c1ccccc1)CN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1 ZINC000012451410 558416092 /nfs/dbraw/zinc/41/60/92/558416092.db2.gz NIPRDWRMTMQHBW-OBGWFSINSA-N 0 3 402.502 2.565 50 0 HFAAHN CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1O[C@@H](C)C(=O)N(C)C ZINC000022770265 558508583 /nfs/dbraw/zinc/50/85/83/558508583.db2.gz ZGFWKPBOBYBUTE-HNNXBMFYSA-N 0 3 400.475 2.959 50 0 HFAAHN O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C1(N2CCOCC2)CCCCC1 ZINC000023339900 558550679 /nfs/dbraw/zinc/55/06/79/558550679.db2.gz ZEMQRPQQCAOMMH-JOCHJYFZSA-N 0 3 411.590 2.770 50 0 HFAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCN(C(C)C)CC1)C2 ZINC000023354041 558551077 /nfs/dbraw/zinc/55/10/77/558551077.db2.gz KCBFYXNFUMFZBQ-LJQANCHMSA-N 0 3 401.599 2.803 50 0 HFAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013683441 558568095 /nfs/dbraw/zinc/56/80/95/558568095.db2.gz LMKKIIAJCCZBEA-UHFFFAOYSA-N 0 3 407.514 2.969 50 0 HFAAHN CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000014226767 558638800 /nfs/dbraw/zinc/63/88/00/558638800.db2.gz LECHTBYFTORLAH-FQEVSTJZSA-N 0 3 403.548 2.750 50 0 HFAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 ZINC000014536925 558658583 /nfs/dbraw/zinc/65/85/83/558658583.db2.gz BJWRYUGKBLPAKJ-UHFFFAOYSA-N 0 3 421.545 2.515 50 0 HFAAHN COc1ccc(CNC(=O)[C@@H]2CNC[C@H](C(=O)Nc3ccc4c(c3)CCC4)C2)cc1 ZINC000014755332 558671739 /nfs/dbraw/zinc/67/17/39/558671739.db2.gz WLBRCCXNOREYJX-VQTJNVASSA-N 0 3 407.514 2.665 50 0 HFAAHN CCc1c(C(=O)NCCc2ccc(O)cc2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014878675 558675335 /nfs/dbraw/zinc/67/53/35/558675335.db2.gz DTJUWPJUQJWJHI-UHFFFAOYSA-N 0 3 411.546 2.883 50 0 HFAAHN Cc1ccc2c(c1)C(=O)N(CCCC(=O)NC[C@H](Cc1ccccc1)N(C)C)C2=O ZINC000027584324 558676460 /nfs/dbraw/zinc/67/64/60/558676460.db2.gz KFISQVVMBCWZHY-IBGZPJMESA-N 0 3 407.514 2.660 50 0 HFAAHN CC(=O)NCc1nnc2n1CCN(Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000014883842 558676979 /nfs/dbraw/zinc/67/69/79/558676979.db2.gz DLIPQISZMXGLQM-UHFFFAOYSA-N 0 3 404.518 2.740 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000014979025 558690384 /nfs/dbraw/zinc/69/03/84/558690384.db2.gz IDPGZEHKSXHLNV-QFIPXVFZSA-N 0 3 414.594 2.986 50 0 HFAAHN C/C(=C\c1ccco1)CN1CCc2nnc(CNC(=O)Cc3ccccc3)n2CC1 ZINC000014999374 558697031 /nfs/dbraw/zinc/69/70/31/558697031.db2.gz HITCXYGHMKDNMS-NBVRZTHBSA-N 0 3 405.502 2.692 50 0 HFAAHN CCc1ccc2nc(NC(=O)N3CCC(C(=O)NCCN(C)C)CC3)sc2c1 ZINC000072276861 558702300 /nfs/dbraw/zinc/70/23/00/558702300.db2.gz NLGFVMGFCJLSMJ-UHFFFAOYSA-N 0 3 403.552 2.780 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000029091128 558709882 /nfs/dbraw/zinc/70/98/82/558709882.db2.gz AJUKZDSIZBKALV-KRWDZBQOSA-N 0 3 419.591 2.915 50 0 HFAAHN C[C@@H]1CN(CC2CCN(C(=O)CC3CN(C(=O)OC(C)(C)C)C3)CC2)C[C@@H](C)O1 ZINC000072306967 558766349 /nfs/dbraw/zinc/76/63/49/558766349.db2.gz VWAYSZRXUXPMPQ-IAGOWNOFSA-N 0 3 409.571 2.591 50 0 HFAAHN CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(c2ccncc2)CC1 ZINC000019148767 558847064 /nfs/dbraw/zinc/84/70/64/558847064.db2.gz SGUOAOGXDOMSDT-UHFFFAOYSA-N 0 3 406.534 2.924 50 0 HFAAHN Cc1c(CN[C@@H](CCn2cncn2)c2ccccc2)c2ccccc2n1CC(N)=O ZINC000055271593 558878148 /nfs/dbraw/zinc/87/81/48/558878148.db2.gz DBXZZWXAHOFUQT-NRFANRHFSA-N 0 3 402.502 2.948 50 0 HFAAHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CCCCCC2)c1 ZINC000033131399 558887898 /nfs/dbraw/zinc/88/78/98/558887898.db2.gz VGFAPCCSSKDYDC-UHFFFAOYSA-N 0 3 415.987 2.976 50 0 HFAAHN CCCCN1CCCC[C@H]1CNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000058174756 558909031 /nfs/dbraw/zinc/90/90/31/558909031.db2.gz DXNRFZQYKOOXRV-HNNXBMFYSA-N 0 3 411.930 2.597 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000065312990 558946122 /nfs/dbraw/zinc/94/61/22/558946122.db2.gz KBCXBOSXTMVRAD-HNNXBMFYSA-N 0 3 424.471 2.567 50 0 HFAAHN C[C@H]1CCCCN1CCNC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061696 558955247 /nfs/dbraw/zinc/95/52/47/558955247.db2.gz QWFJVTMKQWMPDI-HNNXBMFYSA-N 0 3 401.536 2.714 50 0 HFAAHN COc1ccc(CC(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 ZINC000067620826 558989548 /nfs/dbraw/zinc/98/95/48/558989548.db2.gz PKDIDTONEZDCJX-UHFFFAOYSA-N 0 3 409.534 2.675 50 0 HFAAHN CN(CCCNC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O)Cc1ccccc1 ZINC000004916158 559204181 /nfs/dbraw/zinc/20/41/81/559204181.db2.gz DWESTZAEHSILSE-UHFFFAOYSA-N 0 3 417.513 2.527 50 0 HFAAHN O=C(Nc1cccc(OCCN2CCCCC2)c1)C1CCC(Cn2cnnn2)CC1 ZINC000409415168 559251184 /nfs/dbraw/zinc/25/11/84/559251184.db2.gz VYGMSMBMGRAYRW-UHFFFAOYSA-N 0 3 412.538 2.983 50 0 HFAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2ccc(F)cc2)c2c1CCCC2 ZINC000005254424 560552015 /nfs/dbraw/zinc/55/20/15/560552015.db2.gz IKFKAYSKOJGALB-UHFFFAOYSA-N 0 3 404.511 2.554 50 0 HFAAHN CN(C)C1(CNc2c(=O)c(=O)c2N2CCN(c3cccc(Cl)c3)CC2)CCCC1 ZINC000101701553 560798433 /nfs/dbraw/zinc/79/84/33/560798433.db2.gz IRTOFKBYYRUJCO-UHFFFAOYSA-N 0 3 416.953 2.549 50 0 HFAAHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000107053189 560895093 /nfs/dbraw/zinc/89/50/93/560895093.db2.gz RCJZEOFAUUSDOA-QGPMSJSTSA-N 0 3 411.468 2.853 50 0 HFAAHN O=C(Cn1cnc2c(c1=O)CN(Cc1ccccc1)CC2)NCCCc1ccccc1 ZINC000049400729 568447564 /nfs/dbraw/zinc/44/75/64/568447564.db2.gz JYQBCYBVEYNPLI-UHFFFAOYSA-N 0 3 416.525 2.551 50 0 HFAAHN CC(=O)NCCNCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O ZINC000012244606 568455869 /nfs/dbraw/zinc/45/58/69/568455869.db2.gz SVOOUQNKBPXHOE-UHFFFAOYSA-N 0 3 413.905 2.960 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000020102455 568587998 /nfs/dbraw/zinc/58/79/98/568587998.db2.gz MWHLPOUNVFDHRF-QGZVFWFLSA-N 0 3 408.527 2.889 50 0 HFAAHN O=S(=O)(CCc1ccccc1)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000095402882 568605499 /nfs/dbraw/zinc/60/54/99/568605499.db2.gz NFRKTSSEDMIDTK-QFIPXVFZSA-N 0 3 402.560 2.594 50 0 HFAAHN Cc1cc2c(cc3c(=O)n(CCCC(=O)NCCN4CCCC[C@H]4C)nc(C)n23)o1 ZINC000020862240 568646130 /nfs/dbraw/zinc/64/61/30/568646130.db2.gz MGCUVPCBRDGHSE-OAHLLOKOSA-N 0 3 413.522 2.630 50 0 HFAAHN CCOC(=O)c1noc2ncnc(Nc3ccc(CN4CCN(CC)CC4)cc3)c12 ZINC000020992328 568655966 /nfs/dbraw/zinc/65/59/66/568655966.db2.gz LQJQYUFTCPIHOF-UHFFFAOYSA-N 0 3 410.478 2.676 50 0 HFAAHN Cc1nc2ccccn2c(=O)c1CCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000225846626 568680013 /nfs/dbraw/zinc/68/00/13/568680013.db2.gz MBWMPEIQUJKFIA-GOSISDBHSA-N 0 3 406.534 2.743 50 0 HFAAHN CO[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006412 568682683 /nfs/dbraw/zinc/68/26/83/568682683.db2.gz ATVZNUIDLGCRCU-RTBURBONSA-N 0 3 405.539 2.893 50 0 HFAAHN CSc1ccccc1CN1CCC(CNS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000096025881 568686470 /nfs/dbraw/zinc/68/64/70/568686470.db2.gz YADCJORZNAZXCT-UHFFFAOYSA-N 0 3 422.620 2.949 50 0 HFAAHN CCN1CCN(CCNC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc32)CC1 ZINC000021934786 568761930 /nfs/dbraw/zinc/76/19/30/568761930.db2.gz MJERMKWBZGQZQT-UHFFFAOYSA-N 0 3 403.530 2.973 50 0 HFAAHN CCN1CCN(CCNC(=O)c2cc(-c3ccccn3)nc3ccc(C)cc32)CC1 ZINC000021934409 568761983 /nfs/dbraw/zinc/76/19/83/568761983.db2.gz JQKCTLQYAAGWDS-UHFFFAOYSA-N 0 3 403.530 2.973 50 0 HFAAHN O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN2CCC[C@@H]2C1 ZINC000002755752 568806746 /nfs/dbraw/zinc/80/67/46/568806746.db2.gz JAYCCZFGDAGENU-GFCCVEGCSA-N 0 3 405.380 2.928 50 0 HFAAHN CC(C)[C@@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000057473958 568839302 /nfs/dbraw/zinc/83/93/02/568839302.db2.gz KZCUHDGEUMRIEH-UYAOXDASSA-N 0 3 401.894 2.906 50 0 HFAAHN O=C(NC[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc2c(c1)OCCO2 ZINC000299765307 568873797 /nfs/dbraw/zinc/87/37/97/568873797.db2.gz FDSWWBNNVJEBGI-HXUWFJFHSA-N 0 3 423.513 2.796 50 0 HFAAHN CCN(CC)[C@@H](CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)c1ccsc1 ZINC000084771076 568958771 /nfs/dbraw/zinc/95/87/71/568958771.db2.gz VIBMZUSQZLMIOF-DWRORGKVSA-N 0 3 424.636 2.973 50 0 HFAAHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](c1ccccc1)C(C)C ZINC000008003220 568967885 /nfs/dbraw/zinc/96/78/85/568967885.db2.gz ACLLXSVBXKRHDW-OAQYLSRUSA-N 0 3 419.547 2.871 50 0 HFAAHN COc1ccc(CNC[C@@H](O)COc2ccc3c(C)c(C)c(=O)oc3c2)cc1OC ZINC000035686214 569050456 /nfs/dbraw/zinc/05/04/56/569050456.db2.gz JGYPETXGAOMZJK-QGZVFWFLSA-N 0 3 413.470 2.957 50 0 HFAAHN CC[C@H](C)[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]12 ZINC000245324872 569055744 /nfs/dbraw/zinc/05/57/44/569055744.db2.gz BHKTUHAQVLFBBP-XOWSPFIPSA-N 0 3 421.472 2.792 50 0 HFAAHN COc1ccc(CN(C[C@H](O)COCc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000036096059 569090251 /nfs/dbraw/zinc/09/02/51/569090251.db2.gz UROMPUZNUDCWCU-OALUTQOASA-N 0 3 405.491 2.856 50 0 HFAAHN COc1ccc(OC[C@H](O)CN(CCN2CCOCC2)Cc2ccccc2C)cc1 ZINC000036104383 569092371 /nfs/dbraw/zinc/09/23/71/569092371.db2.gz OZOPOBLTFPQHJO-JOCHJYFZSA-N 0 3 414.546 2.578 50 0 HFAAHN CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC[N@H+](C)C(C)C)c(Br)c1 ZINC000036393506 569168041 /nfs/dbraw/zinc/16/80/41/569168041.db2.gz WWOGBHIHWQTGGP-UHFFFAOYSA-N 0 3 421.357 2.634 50 0 HFAAHN CCOC(=O)c1ccc(S(=O)(=O)[N-]CCC[N@@H+](C)C(C)C)c(Br)c1 ZINC000036393506 569168043 /nfs/dbraw/zinc/16/80/43/569168043.db2.gz WWOGBHIHWQTGGP-UHFFFAOYSA-N 0 3 421.357 2.634 50 0 HFAAHN COc1ccc(COC[C@@H](O)CN(C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000006936805 569185161 /nfs/dbraw/zinc/18/51/61/569185161.db2.gz RZZAXLRVMLRAID-SFHVURJKSA-N 0 3 405.491 2.731 50 0 HFAAHN CCc1ccc(-c2cn3cc(C(=O)NCCN4CCN(CC)CC4)ccc3n2)cc1 ZINC000065229941 569200651 /nfs/dbraw/zinc/20/06/51/569200651.db2.gz IYASWTIXSDPFRP-UHFFFAOYSA-N 0 3 405.546 2.931 50 0 HFAAHN O=C(NCc1ccc2c(c1)OCO2)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065256002 569208166 /nfs/dbraw/zinc/20/81/66/569208166.db2.gz IFKQDESKIQTJBC-HXUWFJFHSA-N 0 3 416.481 2.891 50 0 HFAAHN O=C([C@H]1CCCO1)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252494578 569290751 /nfs/dbraw/zinc/29/07/51/569290751.db2.gz NYYVKNGYGZLUPZ-LJQANCHMSA-N 0 3 411.468 2.997 50 0 HFAAHN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCc3ccccc3C2)c1 ZINC000007782601 569310190 /nfs/dbraw/zinc/31/01/90/569310190.db2.gz WCMBEJXBGMIQBS-UHFFFAOYSA-N 0 3 421.950 2.977 50 0 HFAAHN CC(C)CC(=O)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819740 569320818 /nfs/dbraw/zinc/32/08/18/569320818.db2.gz GTLXNJRJDSULMK-FQEVSTJZSA-N 0 3 400.567 2.790 50 0 HFAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)c4cccnc4)CC3)C2)CC1 ZINC000581819836 569321009 /nfs/dbraw/zinc/32/10/09/569321009.db2.gz NVUZSKTYSDFLGR-NRFANRHFSA-N 0 3 400.567 2.509 50 0 HFAAHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000078870159 569421107 /nfs/dbraw/zinc/42/11/07/569421107.db2.gz RCJZEOFAUUSDOA-KYJSFNMBSA-N 0 3 411.468 2.853 50 0 HFAAHN Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1NS(C)(=O)=O ZINC000040058497 571146015 /nfs/dbraw/zinc/14/60/15/571146015.db2.gz GUPMDLOUBANAQJ-FQEVSTJZSA-N 0 3 401.532 2.933 50 0 HFAAHN Cc1cc(N2C[C@@H](C(=O)NC3CCN(C4CC4)CC3)CC2=O)ccc1Br ZINC000040069327 571149522 /nfs/dbraw/zinc/14/95/22/571149522.db2.gz RRUWSKJMKSVIMZ-AWEZNQCLSA-N 0 3 420.351 2.853 50 0 HFAAHN CN1CCCN(c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2F)CC1 ZINC000040145539 571195837 /nfs/dbraw/zinc/19/58/37/571195837.db2.gz GEPMKRRWQWHDPK-UHFFFAOYSA-N 0 3 424.476 2.592 50 0 HFAAHN CN1CCN(CCCNC(=O)CCCNC(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000070012543 571254211 /nfs/dbraw/zinc/25/42/11/571254211.db2.gz LZRJOVREYKCMMD-QHCPKHFHSA-N 0 3 422.573 2.692 50 0 HFAAHN CCN1CCN(CCNC(=O)c2sc(Nc3ccc(Cl)cn3)nc2C)CC1 ZINC000071326763 571291905 /nfs/dbraw/zinc/29/19/05/571291905.db2.gz MTXSZDKKBWRPAJ-UHFFFAOYSA-N 0 3 408.959 2.611 50 0 HFAAHN CC(=O)C1(c2ccccc2)CCN(Cc2nc(C(=O)NCCN3CCCC3)co2)CC1 ZINC000037600295 571317565 /nfs/dbraw/zinc/31/75/65/571317565.db2.gz WRLGOBPLWRGIEZ-UHFFFAOYSA-N 0 3 424.545 2.623 50 0 HFAAHN O=C(CCC(=O)N1CCOc2ccccc21)NCCCN1CCc2ccccc2C1 ZINC000006798519 132317221 /nfs/dbraw/zinc/31/72/21/132317221.db2.gz IOHOHQAHFCHSDQ-UHFFFAOYSA-N 0 3 407.514 2.757 50 0 HFAAHN CCN1CCN(Cc2ccccc2CNc2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000032916249 521688603 /nfs/dbraw/zinc/68/86/03/521688603.db2.gz FDRWVSSEINZWDJ-UHFFFAOYSA-N 0 3 419.455 2.893 50 0 HFAAHN COc1ccc(NC(=O)CN(CC2CC2)C(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000032913406 524491369 /nfs/dbraw/zinc/49/13/69/524491369.db2.gz WRPZVZVCXXQMIJ-UHFFFAOYSA-N 0 3 423.579 2.929 50 0 HFAAHN COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccsc2)N2CCCC2)cc1 ZINC000032731454 525182173 /nfs/dbraw/zinc/18/21/73/525182173.db2.gz MBZONGABBFVGHT-LJQANCHMSA-N 0 3 401.532 2.830 50 0 HFAAHN COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccsc2)N2CCCC2)cc1 ZINC000032731457 525355130 /nfs/dbraw/zinc/35/51/30/525355130.db2.gz MBZONGABBFVGHT-IBGZPJMESA-N 0 3 401.532 2.830 50 0 HFAAHN O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000044917365 527412927 /nfs/dbraw/zinc/41/29/27/527412927.db2.gz YIOGTKJHLDQOEC-UHFFFAOYSA-N 0 3 420.488 2.830 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000000872212 557107379 /nfs/dbraw/zinc/10/73/79/557107379.db2.gz BVAXYFGFDJWMEF-UHFFFAOYSA-N 0 3 413.587 2.966 50 0 HFAAHN COCCN(C[C@@H]1CN(Cc2ccco2)C[C@@H]1c1ccccc1OC)C(=O)COC ZINC000034740632 557444028 /nfs/dbraw/zinc/44/40/28/557444028.db2.gz YMXJBGWYBUVNLF-RXVVDRJESA-N 0 3 416.518 2.625 50 0 HFAAHN O=C(NCCN1CCCC1)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000034920796 557483528 /nfs/dbraw/zinc/48/35/28/557483528.db2.gz XQWRBIULARAFFU-LJQANCHMSA-N 0 3 403.498 2.539 50 0 HFAAHN O=S(=O)(c1cccc2nsnc21)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004537662 557564743 /nfs/dbraw/zinc/56/47/43/557564743.db2.gz ZSGPZTXQFOPZAL-UHFFFAOYSA-N 0 3 418.588 2.966 50 0 HFAAHN COc1cccc(CNCCSc2nnnn2C)c1OCc1ccccc1F ZINC000004998053 557622912 /nfs/dbraw/zinc/62/29/12/557622912.db2.gz BMWMOWGEHHCKBA-UHFFFAOYSA-N 0 3 403.483 2.819 50 0 HFAAHN COc1cccc(CNCCSc2nnnn2C)c1OCc1ccc(F)cc1 ZINC000004998054 557622920 /nfs/dbraw/zinc/62/29/20/557622920.db2.gz GZTCBAVNPDGWBI-UHFFFAOYSA-N 0 3 403.483 2.819 50 0 HFAAHN COc1ccccc1OCCNC[C@@H](O)COc1cc(C)c(OC(C)=O)c(C)c1C ZINC000005679097 557668644 /nfs/dbraw/zinc/66/86/44/557668644.db2.gz YMKUKKPQJBECRH-LJQANCHMSA-N 0 3 417.502 2.954 50 0 HFAAHN COc1ccc(CC(=O)NC[C@@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)cc1 ZINC000011789107 558276995 /nfs/dbraw/zinc/27/69/95/558276995.db2.gz KPLCOYFNZZGPQT-QFIPXVFZSA-N 0 3 409.530 2.963 50 0 HFAAHN Cc1c(C(=O)NC[C@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000012133032 558333179 /nfs/dbraw/zinc/33/31/79/558333179.db2.gz CTKUBTIPQGJRLN-QGZVFWFLSA-N 0 3 416.529 2.808 50 0 HFAAHN CC(C)=CCC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1 ZINC000012245618 558361465 /nfs/dbraw/zinc/36/14/65/558361465.db2.gz UDOUZIZIPVYVDW-LJQANCHMSA-N 0 3 410.566 2.886 50 0 HFAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2n[nH]c3ccccc32)CC1 ZINC000012317422 558380843 /nfs/dbraw/zinc/38/08/43/558380843.db2.gz KCOMGKJJAAFYGQ-SFHVURJKSA-N 0 3 400.523 2.543 50 0 HFAAHN COc1ccc(-c2n[nH]cc2CN2CCC[C@@H](CN3CCOCC3)C2)c(OC)c1 ZINC000012432252 558406487 /nfs/dbraw/zinc/40/64/87/558406487.db2.gz ZGQQETLZBJLLTI-KRWDZBQOSA-N 0 3 400.523 2.638 50 0 HFAAHN O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCC(N2CCSCC2)CC1 ZINC000012447378 558414904 /nfs/dbraw/zinc/41/49/04/558414904.db2.gz PSZHOKXXFSHJJB-UHFFFAOYSA-N 0 3 404.511 2.781 50 0 HFAAHN O=C(c1cc(COc2cccc(F)c2)n[nH]1)N1CCC(N2CCSCC2)CC1 ZINC000012447378 558414909 /nfs/dbraw/zinc/41/49/09/558414909.db2.gz PSZHOKXXFSHJJB-UHFFFAOYSA-N 0 3 404.511 2.781 50 0 HFAAHN Cc1nn(CC(=O)N[C@H]2CCCN(CCc3ccccc3)C2)c(=O)c2ccccc12 ZINC000012457785 558417979 /nfs/dbraw/zinc/41/79/79/558417979.db2.gz NMVLKTRSZUYCFN-FQEVSTJZSA-N 0 3 404.514 2.528 50 0 HFAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3cc(C)ccc3-n3cccn3)C2)CC1 ZINC000020905963 558420721 /nfs/dbraw/zinc/42/07/21/558420721.db2.gz IWECJVCUMHRYPR-NRFANRHFSA-N 0 3 411.550 2.919 50 0 HFAAHN CN(CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000012471491 558422073 /nfs/dbraw/zinc/42/20/73/558422073.db2.gz FRMANVAKSKGRGR-QFIPXVFZSA-N 0 3 404.518 2.501 50 0 HFAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCCN1CCCC1=O ZINC000012481159 558423413 /nfs/dbraw/zinc/42/34/13/558423413.db2.gz WZPLMKDDDWOFSV-IBGZPJMESA-N 0 3 403.542 2.941 50 0 HFAAHN COc1ccc(CCN(C)[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc1OC ZINC000012707762 558450599 /nfs/dbraw/zinc/45/05/99/558450599.db2.gz IYCZMDLABLHGKA-FQEVSTJZSA-N 0 3 419.566 2.587 50 0 HFAAHN COc1ccc(F)c(CN2CCC[C@@]3(CCN(Cc4cnn(C)c4C)C3)C2=O)c1 ZINC000012714025 558454107 /nfs/dbraw/zinc/45/41/07/558454107.db2.gz MUSBZDLDXRUCGU-QFIPXVFZSA-N 0 3 400.498 2.891 50 0 HFAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)CC1 ZINC000023374991 558554534 /nfs/dbraw/zinc/55/45/34/558554534.db2.gz LOLBOWJTTXQDQR-NRFANRHFSA-N 0 3 411.550 2.826 50 0 HFAAHN CC(C)(CNC(=O)CN1c2ccccc2OCCC1=O)N1CCc2ccccc2C1 ZINC000025462668 558641753 /nfs/dbraw/zinc/64/17/53/558641753.db2.gz YUWVGEZPBCNTEM-UHFFFAOYSA-N 0 3 407.514 2.755 50 0 HFAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000014745243 558668751 /nfs/dbraw/zinc/66/87/51/558668751.db2.gz ISIJJBVGOIJBQT-UHFFFAOYSA-N 0 3 414.531 2.589 50 0 HFAAHN CCCN(CCC)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000027270184 558671460 /nfs/dbraw/zinc/67/14/60/558671460.db2.gz RROFPKGQUXGNCV-IRXDYDNUSA-N 0 3 411.568 2.545 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000014901962 558678634 /nfs/dbraw/zinc/67/86/34/558678634.db2.gz HTJMEVWFOVKBFY-SFHVURJKSA-N 0 3 414.333 2.894 50 0 HFAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCCN2CCCC2=O)C1 ZINC000014959713 558683625 /nfs/dbraw/zinc/68/36/25/558683625.db2.gz FCMTUNKNNRMJLB-FQEVSTJZSA-N 0 3 415.578 2.811 50 0 HFAAHN CN(Cc1cc(C2CC2)[nH]n1)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000015062143 558705150 /nfs/dbraw/zinc/70/51/50/558705150.db2.gz DUUNTZNUSCFNAS-OAQYLSRUSA-N 0 3 404.461 2.551 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000029091123 558709683 /nfs/dbraw/zinc/70/96/83/558709683.db2.gz AJUKZDSIZBKALV-QGZVFWFLSA-N 0 3 419.591 2.915 50 0 HFAAHN O=c1c(CNCCn2ccnc2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 ZINC000015068952 558711438 /nfs/dbraw/zinc/71/14/38/558711438.db2.gz QSKBWDSXJCOIFU-UHFFFAOYSA-N 0 3 420.444 2.904 50 0 HFAAHN O=C(c1ccc(N2CCN3CCC[C@@H]3C2)nc1)N1CCC(CCn2cccn2)CC1 ZINC000015071115 558712949 /nfs/dbraw/zinc/71/29/49/558712949.db2.gz JBNVNIZEWZLHCD-OAQYLSRUSA-N 0 3 408.550 2.505 50 0 HFAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCC(=O)N(C)C ZINC000015075905 558716393 /nfs/dbraw/zinc/71/63/93/558716393.db2.gz KIZGYMLOMAWGQS-FQEVSTJZSA-N 0 3 403.567 2.667 50 0 HFAAHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000072304582 558757100 /nfs/dbraw/zinc/75/71/00/558757100.db2.gz UIQRYRCIHROICM-SFHVURJKSA-N 0 3 404.532 2.808 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000034916411 558787512 /nfs/dbraw/zinc/78/75/12/558787512.db2.gz OENBOLKSHYLHKK-FQEVSTJZSA-N 0 3 409.505 2.955 50 0 HFAAHN CC(=O)N1CCC(NCc2cccnc2N2CCN(c3ccccc3C)CC2)CC1 ZINC000019227888 558852925 /nfs/dbraw/zinc/85/29/25/558852925.db2.gz MRVYXTMTRCKJSJ-UHFFFAOYSA-N 0 3 407.562 2.817 50 0 HFAAHN Cc1cccc(CN2CC=C(c3noc(CCC(=O)NCCN4CCCC4)n3)CC2)c1 ZINC000033069246 558865862 /nfs/dbraw/zinc/86/58/62/558865862.db2.gz MAILNULYTWBYCK-UHFFFAOYSA-N 0 3 423.561 2.812 50 0 HFAAHN CN(C)CCN(C)C(=O)[C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000019300994 558866463 /nfs/dbraw/zinc/86/64/63/558866463.db2.gz UCUZGALXLYKNKG-LJQANCHMSA-N 0 3 407.562 2.869 50 0 HFAAHN COc1cc(CN2CCOc3ccc([C@](C)(O)CN(C)C)cc3C2)cc(OC)c1 ZINC000055060582 558871096 /nfs/dbraw/zinc/87/10/96/558871096.db2.gz JAUDVFAZECKTPP-HSZRJFAPSA-N 0 3 400.519 2.868 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000065312991 558946170 /nfs/dbraw/zinc/94/61/70/558946170.db2.gz KBCXBOSXTMVRAD-OAHLLOKOSA-N 0 3 424.471 2.567 50 0 HFAAHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc(-c2cnn(CCO)c2)nc2ccccc21 ZINC000063872558 558960503 /nfs/dbraw/zinc/96/05/03/558960503.db2.gz QXFVDOQFNMJBPP-KRWDZBQOSA-N 0 3 407.518 2.504 50 0 HFAAHN Cc1nc(NCCNC(=O)c2ccc(Cl)cc2Cl)cc(N2CCOCC2)n1 ZINC000065362048 558972809 /nfs/dbraw/zinc/97/28/09/558972809.db2.gz ULGHBMAUXNYQHS-UHFFFAOYSA-N 0 3 410.305 2.770 50 0 HFAAHN CCNc1cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)nc(C)n1 ZINC000065362676 558973412 /nfs/dbraw/zinc/97/34/12/558973412.db2.gz AXUQGEGBCXLNBD-UHFFFAOYSA-N 0 3 404.312 2.942 50 0 HFAAHN CCNc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)nc(C)n1 ZINC000065363905 558974899 /nfs/dbraw/zinc/97/48/99/558974899.db2.gz RTIWSJUEMLTFTL-UHFFFAOYSA-N 0 3 404.312 2.942 50 0 HFAAHN Cc1cc(C)c(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1C ZINC000065363964 558974964 /nfs/dbraw/zinc/97/49/64/558974964.db2.gz KKZMOBKYMXISPF-UHFFFAOYSA-N 0 3 403.552 2.701 50 0 HFAAHN CCNc1cc(N2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)nc(C)n1 ZINC000067603581 558988098 /nfs/dbraw/zinc/98/80/98/558988098.db2.gz CYGBJHXGGWTMAP-UHFFFAOYSA-N 0 3 400.483 2.588 50 0 HFAAHN CN(c1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1)S(C)(=O)=O ZINC000067604777 558988645 /nfs/dbraw/zinc/98/86/45/558988645.db2.gz QGOCJVMSJLQCDD-UHFFFAOYSA-N 0 3 417.531 2.808 50 0 HFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cc(C(C)=O)cn1C)C2 ZINC000095374631 559080388 /nfs/dbraw/zinc/08/03/88/559080388.db2.gz UXUNZBWVZRZIGT-XPNTWCBSSA-N 0 3 403.567 2.567 50 0 HFAAHN Cc1ccc2oc(=O)c3cnn(CC(=O)N(CCN(C)C)Cc4ccco4)c3c2c1 ZINC000004961887 559217860 /nfs/dbraw/zinc/21/78/60/559217860.db2.gz VDBBPQMURZMOSW-UHFFFAOYSA-N 0 3 408.458 2.635 50 0 HFAAHN O=C(Cn1ncc2c1c1ccccc1oc2=O)NC1CCN(Cc2ccccc2)CC1 ZINC000005004788 559226892 /nfs/dbraw/zinc/22/68/92/559226892.db2.gz CLKLYFNMDQEJAT-UHFFFAOYSA-N 0 3 416.481 2.924 50 0 HFAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000011816908 559260351 /nfs/dbraw/zinc/26/03/51/559260351.db2.gz BGGNVEFAJWGBKQ-QGZVFWFLSA-N 0 3 408.506 2.925 50 0 HFAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2ccc(F)cc2F)c2c1CCCC2 ZINC000005254475 560552113 /nfs/dbraw/zinc/55/21/13/560552113.db2.gz ZBYIXWWEDRMYAU-UHFFFAOYSA-N 0 3 422.501 2.693 50 0 HFAAHN CN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000105656701 560876762 /nfs/dbraw/zinc/87/67/62/560876762.db2.gz BLKBCYNOKZLOQH-GMAHTHKFSA-N 0 3 420.557 2.535 50 0 HFAAHN CNC(=O)c1cccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000108395240 568418814 /nfs/dbraw/zinc/41/88/14/568418814.db2.gz UHMUKDYRBGHICD-ZCNNSNEGSA-N 0 3 417.550 2.940 50 0 HFAAHN COc1ccccc1NC(=O)Cn1c(C)nc2c(c1=O)CN(Cc1ccccc1)CC2 ZINC000049400758 568447602 /nfs/dbraw/zinc/44/76/02/568447602.db2.gz RVFCIELMTAGLNS-UHFFFAOYSA-N 0 3 418.497 2.757 50 0 HFAAHN COc1ccccc1N(C[C@H](O)CN1CCC(C)CC1)S(=O)(=O)c1ccccc1 ZINC000000787222 568477453 /nfs/dbraw/zinc/47/74/53/568477453.db2.gz YWZBWPMFJDKMRB-LJQANCHMSA-N 0 3 418.559 2.983 50 0 HFAAHN O=C(NCCN1CCCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000033131367 568511328 /nfs/dbraw/zinc/51/13/28/568511328.db2.gz MLSUJKAEOJMPQZ-UHFFFAOYSA-N 0 3 413.971 2.730 50 0 HFAAHN CCCN1CCN(CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)CC1 ZINC000020925807 568651293 /nfs/dbraw/zinc/65/12/93/568651293.db2.gz CMQHOXZAXWRLIE-UHFFFAOYSA-N 0 3 418.513 2.531 50 0 HFAAHN CCOc1ccccc1CNCc1cccn1-c1nnc(N2CCN(C)CC2)s1 ZINC000020942847 568653002 /nfs/dbraw/zinc/65/30/02/568653002.db2.gz YVGXSWDUAOQILW-UHFFFAOYSA-N 0 3 412.563 2.769 50 0 HFAAHN Cc1noc2ncnc(N3CCC[C@@H](C(=O)N4CCN(C5CCCCC5)CC4)C3)c12 ZINC000020945220 568653225 /nfs/dbraw/zinc/65/32/25/568653225.db2.gz HBSWVKMBMOPKJI-QGZVFWFLSA-N 0 3 412.538 2.620 50 0 HFAAHN CC(C)[C@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1 ZINC000057473954 568839319 /nfs/dbraw/zinc/83/93/19/568839319.db2.gz KZCUHDGEUMRIEH-QUCCMNQESA-N 0 3 401.894 2.906 50 0 HFAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc2ncsc2c1 ZINC000670433757 568868915 /nfs/dbraw/zinc/86/89/15/568868915.db2.gz WMUIFKAZVVKZKD-QKTWPWEVSA-N 0 3 404.539 2.594 50 0 HFAAHN O=C(NCCN1CCCCC1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 ZINC000263616668 568911036 /nfs/dbraw/zinc/91/10/36/568911036.db2.gz JZNOMJZGTFRQQB-UHFFFAOYSA-N 0 3 407.514 2.824 50 0 HFAAHN Cc1ccc([C@@H](CNC(=O)CCN2C(=O)c3ccccc3C2=O)N2CCCC2)cc1 ZINC000007997270 568967540 /nfs/dbraw/zinc/96/75/40/568967540.db2.gz XOPVALWKPLEDAT-OAQYLSRUSA-N 0 3 405.498 2.934 50 0 HFAAHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000012924783 569023638 /nfs/dbraw/zinc/02/36/38/569023638.db2.gz VPLBRAPRPOXSTP-MRXNPFEDSA-N 0 3 401.532 2.811 50 0 HFAAHN C[C@H]1Sc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2NC1=O ZINC000006892806 569048686 /nfs/dbraw/zinc/04/86/86/569048686.db2.gz LNALZPIFEUIOAS-CQSZACIVSA-N 0 3 409.577 2.758 50 0 HFAAHN CS[C@H]1CN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C[C@@H]1N(C)C ZINC000089314135 569058382 /nfs/dbraw/zinc/05/83/82/569058382.db2.gz PCKJRJTWFDURHN-WMZOPIPTSA-N 0 3 403.573 2.796 50 0 HFAAHN Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COCc2ccccc2)s1 ZINC000036100895 569091331 /nfs/dbraw/zinc/09/13/31/569091331.db2.gz CRFPNDCPUMHYJJ-OAQYLSRUSA-N 0 3 404.576 2.768 50 0 HFAAHN CC[C@@H](C(=O)NCCN1CCCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787514 569094195 /nfs/dbraw/zinc/09/41/95/569094195.db2.gz IPNRDWZXLMWZML-IBGZPJMESA-N 0 3 409.534 2.832 50 0 HFAAHN CCN1CCN(CCNC(=O)c2ccc(-c3ccc4c(c3)CCN4C(C)=O)cc2)CC1 ZINC000065026999 569155898 /nfs/dbraw/zinc/15/58/98/569155898.db2.gz PBUGXKVTZFEFAY-UHFFFAOYSA-N 0 3 420.557 2.630 50 0 HFAAHN Cc1nn(C)cc1CN(C)C(=O)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255853 569208032 /nfs/dbraw/zinc/20/80/32/569208032.db2.gz NXACYPPDNNLYCI-OAQYLSRUSA-N 0 3 404.518 2.547 50 0 HFAAHN COc1ccc(-c2cc(C(=O)N3CCN4CCC[C@@H]4C3)c3c(C)nn(C)c3n2)cc1 ZINC000036613548 569209280 /nfs/dbraw/zinc/20/92/80/569209280.db2.gz OPXAMQYBALOPSN-QGZVFWFLSA-N 0 3 405.502 2.873 50 0 HFAAHN O=C(CCn1cc(Br)ccc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000065530228 569233923 /nfs/dbraw/zinc/23/39/23/569233923.db2.gz HMOPUJIZSLRYSV-UHFFFAOYSA-N 0 3 418.335 2.782 50 0 HFAAHN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@H]1CCCN12 ZINC000249696526 569255397 /nfs/dbraw/zinc/25/53/97/569255397.db2.gz SSKZODUQLBCJAM-VWEIPLKFSA-N 0 3 415.493 2.528 50 0 HFAAHN CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CCN1CCSCC1 ZINC000002254013 569326142 /nfs/dbraw/zinc/32/61/42/569326142.db2.gz QTCQMBKSFMAPFT-UHFFFAOYSA-N 0 3 421.519 2.739 50 0 HFAAHN COc1ccc([C@H](CNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)N(C)C)cc1 ZINC000017913247 569375188 /nfs/dbraw/zinc/37/51/88/569375188.db2.gz NJNWJRRXFDKSJT-KRWDZBQOSA-N 0 3 414.531 2.503 50 0 HFAAHN Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000040070948 571151398 /nfs/dbraw/zinc/15/13/98/571151398.db2.gz DZPVJBIEXYLNNL-QFIPXVFZSA-N 0 3 420.561 2.873 50 0 HFAAHN CCN1CCN(Cc2ccccc2CNC(=O)c2cccc(C[S@@](C)=O)c2)CC1 ZINC000040107977 571167874 /nfs/dbraw/zinc/16/78/74/571167874.db2.gz QUKWVNXNIAZLJM-LJAQVGFWSA-N 0 3 413.587 2.633 50 0 HFAAHN CN1C(=O)N(CC(=O)N2C[C@@H]3CCCN3Cc3ccccc32)C(=O)C12CCCCC2 ZINC000040146324 571196219 /nfs/dbraw/zinc/19/62/19/571196219.db2.gz WNJSGEDLVJQKNJ-SFHVURJKSA-N 0 3 410.518 2.595 50 0 HFAAHN COCCN1CCc2c(cccc2-n2nnc(C(=O)Nc3ccccc3F)c2C)C1 ZINC000069846499 571246953 /nfs/dbraw/zinc/24/69/53/571246953.db2.gz FXPGMTHMAWNUTF-UHFFFAOYSA-N 0 3 409.465 2.972 50 0 HFAAHN CC(C)[C@H](NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)OCCCO2 ZINC000009513730 571264571 /nfs/dbraw/zinc/26/45/71/571264571.db2.gz IZIDPDBAEDVOHF-NRFANRHFSA-N 0 3 410.474 2.943 50 0 HFAAHN COc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc3ccccc32)N(C)C)cc1 ZINC000010333559 571300564 /nfs/dbraw/zinc/30/05/64/571300564.db2.gz WNIOEMUCTFVFJN-JOCHJYFZSA-N 0 3 405.498 2.884 50 0 HFAAHN O=C1c2cccc(N3CCN(C[C@@H]4CC=CCC4)CC3)c2C(=O)N1CCn1cccn1 ZINC000012152213 132355439 /nfs/dbraw/zinc/35/54/39/132355439.db2.gz KIIGJUWADWUONC-LJQANCHMSA-N 0 3 419.529 2.658 50 0 HFAAHN CCN1CCN(CCNC(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)CC1 ZINC000020514614 521683872 /nfs/dbraw/zinc/68/38/72/521683872.db2.gz FQQJKSKBGUDHJE-MUUNZHRXSA-N 0 3 423.966 2.608 50 0 HFAAHN CCN1C[C@@H](CN(C)C[C@@H](O)COCc2ccccc2OC)Oc2ccccc21 ZINC000032814674 521727584 /nfs/dbraw/zinc/72/75/84/521727584.db2.gz YEQGQCMFKSOJFV-WOJBJXKFSA-N 0 3 400.519 2.792 50 0 HFAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2)CN1Cc1cccc(Cl)c1 ZINC000032519398 523914873 /nfs/dbraw/zinc/91/48/73/523914873.db2.gz UFSVOWDSSUZLOP-SFTDATJTSA-N 0 3 419.928 2.974 50 0 HFAAHN O=C(Cc1cccs1)Nc1nc(CC(=O)NC2CCN(C3CC3)CC2)cs1 ZINC000030687898 527304189 /nfs/dbraw/zinc/30/41/89/527304189.db2.gz LNYYRNFUAMPCSQ-UHFFFAOYSA-N 0 3 404.561 2.671 50 0 HFAAHN O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000040287463 527414500 /nfs/dbraw/zinc/41/45/00/527414500.db2.gz YDHYBGZOQMCCBR-UHFFFAOYSA-N 0 3 420.488 2.830 50 0 HFAAHN CCN(CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccccc2OC)c1=N ZINC000001235472 557250261 /nfs/dbraw/zinc/25/02/61/557250261.db2.gz QBTLXKVNYXGYLM-GOSISDBHSA-N 0 3 412.534 2.713 50 0 HFAAHN O=S(=O)(Cc1ccccc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 ZINC000004746101 557591944 /nfs/dbraw/zinc/59/19/44/557591944.db2.gz QHIWIBXLLHMXJS-UHFFFAOYSA-N 0 3 413.587 2.799 50 0 HFAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)NC[C@H]3CCCO3)co2)c(C)c1 ZINC000046175198 557820029 /nfs/dbraw/zinc/82/00/29/557820029.db2.gz CBKUOCHMNHAEGV-NVXWUHKLSA-N 0 3 406.504 2.557 50 0 HFAAHN CC(=O)NCCC(=O)N(C)CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000011815434 558279357 /nfs/dbraw/zinc/27/93/57/558279357.db2.gz PQLDFIKOPKFZAH-UHFFFAOYSA-N 0 3 413.484 2.945 50 0 HFAAHN Cc1ccccc1Cn1cc(C(=O)N(Cc2ccncc2)C2CCN(C)CC2)nn1 ZINC000011821970 558285175 /nfs/dbraw/zinc/28/51/75/558285175.db2.gz YJBVBGSONVYTDM-UHFFFAOYSA-N 0 3 404.518 2.766 50 0 HFAAHN O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000011954619 558303208 /nfs/dbraw/zinc/30/32/08/558303208.db2.gz IYOVLFUMEWCTFC-HXUWFJFHSA-N 0 3 404.514 2.610 50 0 HFAAHN CC(C)[C@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2 ZINC000012162036 558341975 /nfs/dbraw/zinc/34/19/75/558341975.db2.gz IFECHVVGWVEMHH-ICSRJNTNSA-N 0 3 403.571 2.566 50 0 HFAAHN NC(=O)C1(N2CCCCC2)CCN(Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000020204054 558346580 /nfs/dbraw/zinc/34/65/80/558346580.db2.gz XWVHNJKFVJOTHP-UHFFFAOYSA-N 0 3 403.914 2.696 50 0 HFAAHN OCC[C@@H]1CN(C2CCN(Cc3ccccn3)CC2)CCN1Cc1cccs1 ZINC000020204679 558346618 /nfs/dbraw/zinc/34/66/18/558346618.db2.gz YUVWROUGOGHZCQ-OAQYLSRUSA-N 0 3 400.592 2.676 50 0 HFAAHN OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CCN1CCCc1ccccc1 ZINC000020211101 558347520 /nfs/dbraw/zinc/34/75/20/558347520.db2.gz FNSPQNKXTCXQLK-QFIPXVFZSA-N 0 3 405.546 2.769 50 0 HFAAHN C[C@H](CCN1CCc2nnc(CNC(=O)c3ccncc3)n2CC1)c1ccccc1 ZINC000012200140 558351044 /nfs/dbraw/zinc/35/10/44/558351044.db2.gz ULIGTTFJDBDIRG-GOSISDBHSA-N 0 3 404.518 2.655 50 0 HFAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCSc1nc[nH]n1 ZINC000020450555 558365302 /nfs/dbraw/zinc/36/53/02/558365302.db2.gz XFEKISXUDYLKMT-UHFFFAOYSA-N 0 3 421.530 2.607 50 0 HFAAHN CC(C)NC(=O)C1CCN(C2CCN(C(=O)[C@H]3CC(=O)c4ccccc43)CC2)CC1 ZINC000012302476 558372046 /nfs/dbraw/zinc/37/20/46/558372046.db2.gz LARFIGDROKPRMI-NRFANRHFSA-N 0 3 411.546 2.584 50 0 HFAAHN O=C(CCn1c(CO)nc2ccccc21)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012316311 558379613 /nfs/dbraw/zinc/37/96/13/558379613.db2.gz RZAMGTJVVYLRFC-FQEVSTJZSA-N 0 3 406.530 2.742 50 0 HFAAHN COc1ccccc1CN1CCC(CN(CC(C)C)C(=O)C2=NNC(=O)CC2)CC1 ZINC000012373153 558390524 /nfs/dbraw/zinc/39/05/24/558390524.db2.gz PIIUPOQWAOYLIO-UHFFFAOYSA-N 0 3 414.550 2.658 50 0 HFAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2c(C)[nH]c(C(C)=O)c2C)CC1 ZINC000012386292 558395054 /nfs/dbraw/zinc/39/50/54/558395054.db2.gz IKKLFOUOEHLGFW-FQEVSTJZSA-N 0 3 419.566 2.814 50 0 HFAAHN CN(CC1CCN(CCc2cccc(C(F)(F)F)c2)CC1)C(=O)C1(C(N)=O)CC1 ZINC000012453643 558416363 /nfs/dbraw/zinc/41/63/63/558416363.db2.gz MJBMWPIPKUJCTL-UHFFFAOYSA-N 0 3 411.468 2.684 50 0 HFAAHN COc1ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc1OC1CCN(C(C)C)CC1 ZINC000012612948 558439274 /nfs/dbraw/zinc/43/92/74/558439274.db2.gz CMHKDXPVBAWPAE-SFHVURJKSA-N 0 3 405.539 2.577 50 0 HFAAHN Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1 ZINC000021795763 558449691 /nfs/dbraw/zinc/44/96/91/558449691.db2.gz GWMFZTATVCVBFI-UHFFFAOYSA-N 0 3 423.565 2.508 50 0 HFAAHN COCCNC(=O)c1ccc(OC2CCN(CCCn3cccn3)CC2)c(Cl)c1 ZINC000012713477 558453776 /nfs/dbraw/zinc/45/37/76/558453776.db2.gz RLLXQDVXPLZTEV-UHFFFAOYSA-N 0 3 420.941 2.846 50 0 HFAAHN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000012997086 558499015 /nfs/dbraw/zinc/49/90/15/558499015.db2.gz PYZAGXLIKJZUNT-UHFFFAOYSA-N 0 3 415.559 2.688 50 0 HFAAHN CCN1CCN(C[C@H](O)COc2cccc(CNCc3ccc(C)s3)c2)CC1 ZINC000022851335 558516959 /nfs/dbraw/zinc/51/69/59/558516959.db2.gz UWPAJAQAMJEPGR-FQEVSTJZSA-N 0 3 403.592 2.724 50 0 HFAAHN Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCN(C3CCCC3)CC1)C2 ZINC000023353705 558551104 /nfs/dbraw/zinc/55/11/04/558551104.db2.gz NLAYBSDNSLPXMT-FQEVSTJZSA-N 0 3 413.610 2.854 50 0 HFAAHN CN1CCN(C[C@@H](O)COc2ccc(CNCc3ccccc3Cl)cc2)CC1 ZINC000023372968 558553250 /nfs/dbraw/zinc/55/32/50/558553250.db2.gz CXVRHAKDMOCXMR-HXUWFJFHSA-N 0 3 403.954 2.617 50 0 HFAAHN CN1CCN(C[C@H](O)COc2ccc(CNCc3cccc(Cl)c3)cc2)CC1 ZINC000023374915 558554579 /nfs/dbraw/zinc/55/45/79/558554579.db2.gz SFERWGNCWISTDO-NRFANRHFSA-N 0 3 403.954 2.617 50 0 HFAAHN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN(C)C)c1 ZINC000024084347 558588158 /nfs/dbraw/zinc/58/81/58/558588158.db2.gz WIAONYHHSWGZFC-UHFFFAOYSA-N 0 3 403.548 2.709 50 0 HFAAHN CC1CCN([C@H](CNC(=O)Cn2c3ccccc3n(C)c2=O)c2cccs2)CC1 ZINC000024924990 558620623 /nfs/dbraw/zinc/62/06/23/558620623.db2.gz ZWMQQQGKEFRNRY-LJQANCHMSA-N 0 3 412.559 2.991 50 0 HFAAHN CC1CCN([C@@H](CNC(=O)Cn2c3ccccc3n(C)c2=O)c2cccs2)CC1 ZINC000024924986 558620660 /nfs/dbraw/zinc/62/06/60/558620660.db2.gz ZWMQQQGKEFRNRY-IBGZPJMESA-N 0 3 412.559 2.991 50 0 HFAAHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC[C@H](c2ccccc2)N(C)C)C(C)C)cc1 ZINC000025063791 558629934 /nfs/dbraw/zinc/62/99/34/558629934.db2.gz PUPJYSSKEZZIHI-NHCUHLMSSA-N 0 3 417.575 2.717 50 0 HFAAHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 ZINC000014535932 558658219 /nfs/dbraw/zinc/65/82/19/558658219.db2.gz VICMRQCQHFKQIS-QGZVFWFLSA-N 0 3 402.539 2.878 50 0 HFAAHN COCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 ZINC000014743914 558668046 /nfs/dbraw/zinc/66/80/46/558668046.db2.gz FVOXRBYWWGPFHJ-UHFFFAOYSA-N 0 3 412.534 2.832 50 0 HFAAHN CC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)nc1)N1CCc2ccccc2C1 ZINC000027347535 558672220 /nfs/dbraw/zinc/67/22/20/558672220.db2.gz BTEUBAJIMADFMM-QFIPXVFZSA-N 0 3 423.561 2.554 50 0 HFAAHN COCC(=O)N[C@H](c1nnc2n1CCN(Cc1cccc3ccccc31)CC2)C(C)C ZINC000014882887 558676715 /nfs/dbraw/zinc/67/67/15/558676715.db2.gz GIKOHBGOYMCUHW-QHCPKHFHSA-N 0 3 421.545 2.949 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000014901961 558678676 /nfs/dbraw/zinc/67/86/76/558678676.db2.gz HTJMEVWFOVKBFY-GOSISDBHSA-N 0 3 414.333 2.894 50 0 HFAAHN Cc1nnsc1C(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000014961131 558684123 /nfs/dbraw/zinc/68/41/23/558684123.db2.gz DTQPCTXZTXHBSB-QGZVFWFLSA-N 0 3 419.570 2.902 50 0 HFAAHN CCCn1nc(C(=O)NC[C@H](c2ccc(OC)cc2)N(C)C)c2ccccc2c1=O ZINC000015387812 558737221 /nfs/dbraw/zinc/73/72/21/558737221.db2.gz JZVWSKUWOWFDNT-HXUWFJFHSA-N 0 3 408.502 2.848 50 0 HFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000004577756 558754249 /nfs/dbraw/zinc/75/42/49/558754249.db2.gz LYLUJBCWPARIDH-CTNGQTDRSA-N 0 3 402.502 2.791 50 0 HFAAHN O=C(NCCN1CCCCCC1)C1CCN(c2ccc(N3CCCCC3)nn2)CC1 ZINC000032985046 558805549 /nfs/dbraw/zinc/80/55/49/558805549.db2.gz XUHHDPXOQGPOSQ-UHFFFAOYSA-N 0 3 414.598 2.676 50 0 HFAAHN CCN(Cc1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000065365298 558976423 /nfs/dbraw/zinc/97/64/23/558976423.db2.gz WYOBKFOSRBVJLO-UHFFFAOYSA-N 0 3 415.559 2.721 50 0 HFAAHN O=C(Cn1cnc2c3ccccc3[nH]c2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000023125937 559013950 /nfs/dbraw/zinc/01/39/50/559013950.db2.gz HJHJYNZNVLUHMF-UHFFFAOYSA-N 0 3 415.497 2.659 50 0 HFAAHN COc1ccc(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)cc1OC ZINC000023127537 559015908 /nfs/dbraw/zinc/01/59/08/559015908.db2.gz FHHMHUQRWQJBCZ-UHFFFAOYSA-N 0 3 417.531 2.732 50 0 HFAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)cc1OC ZINC000023127705 559016074 /nfs/dbraw/zinc/01/60/74/559016074.db2.gz UROFLSFVGVLKHN-UHFFFAOYSA-N 0 3 410.561 2.956 50 0 HFAAHN COCCN(C)C[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2F)C[C@@H]1CO ZINC000091872007 559074282 /nfs/dbraw/zinc/07/42/82/559074282.db2.gz OFJASKJMROIBNG-QZTJIDSGSA-N 0 3 400.494 2.751 50 0 HFAAHN CCOc1cc2c(cc1CN1CC[C@@]3(O)CCN(C(=O)N(C)C)C[C@H]3C1)CCC2 ZINC000095387665 559080687 /nfs/dbraw/zinc/08/06/87/559080687.db2.gz ZCRCOWNYBOFDIU-NFBKMPQASA-N 0 3 401.551 2.514 50 0 HFAAHN COc1ccc(C(=O)N[C@H](C)c2nncn2C)cc1OC1CCN(C(C)C)CC1 ZINC000095512457 559084308 /nfs/dbraw/zinc/08/43/08/559084308.db2.gz FZJHHNLXDANHOO-OAHLLOKOSA-N 0 3 401.511 2.566 50 0 HFAAHN Cc1cccc(-c2nn(Cc3ccccc3)cc2CNC[C@@H](O)CN2CCOCC2)c1 ZINC000013987349 559130422 /nfs/dbraw/zinc/13/04/22/559130422.db2.gz SQDPZYNERKEELE-XMMPIXPASA-N 0 3 420.557 2.690 50 0 HFAAHN CCCCN(CC)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971555 559220640 /nfs/dbraw/zinc/22/06/40/559220640.db2.gz FHKOGVRCCGEHDC-UHFFFAOYSA-N 0 3 407.580 2.776 50 0 HFAAHN CN(CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12)Cc1ccccc1 ZINC000005067869 559240263 /nfs/dbraw/zinc/24/02/63/559240263.db2.gz NIJRNSLXXFDTJY-UHFFFAOYSA-N 0 3 407.514 2.946 50 0 HFAAHN O=C(Nc1cccc(Cn2cccnc2=O)c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000047732907 568431110 /nfs/dbraw/zinc/43/11/10/568431110.db2.gz MLKWYWLWFGUSAF-OAQYLSRUSA-N 0 3 403.486 2.688 50 0 HFAAHN CCCn1c2ccccc2n(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1=O ZINC000048290801 568435201 /nfs/dbraw/zinc/43/52/01/568435201.db2.gz AWKKWPPLFVVFFL-HXUWFJFHSA-N 0 3 406.530 2.994 50 0 HFAAHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000048374619 568442419 /nfs/dbraw/zinc/44/24/19/568442419.db2.gz FBOJGXQUPNEIRT-UHFFFAOYSA-N 0 3 415.559 2.505 50 0 HFAAHN CN(C(=O)c1n[nH]c(=O)c2ccccc21)[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012302117 568464148 /nfs/dbraw/zinc/46/41/48/568464148.db2.gz YIVAJIZCHWSGAT-SFHVURJKSA-N 0 3 402.498 2.627 50 0 HFAAHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000095407517 568606378 /nfs/dbraw/zinc/60/63/78/568606378.db2.gz KROSTEAXRXFXIJ-DLBZAZTESA-N 0 3 406.552 2.562 50 0 HFAAHN CCOc1cc(CN2CCC[C@H](C(N)=O)C2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000095430330 568608980 /nfs/dbraw/zinc/60/89/80/568608980.db2.gz QPRHZUBIKWIECO-IBGZPJMESA-N 0 3 419.566 2.807 50 0 HFAAHN O=C(CCNC(=O)OCC(F)(F)F)O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000095456234 568617372 /nfs/dbraw/zinc/61/73/72/568617372.db2.gz PHLRJAWGADACIS-KRWDZBQOSA-N 0 3 414.424 2.971 50 0 HFAAHN CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC000040130756 568621508 /nfs/dbraw/zinc/62/15/08/568621508.db2.gz IPVMWPQNXDLMAG-IBGZPJMESA-N 0 3 415.582 2.941 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3cccc(C)c3)o2)CC1 ZINC000020514531 568622565 /nfs/dbraw/zinc/62/25/65/568622565.db2.gz XHLXSUPSGXZYMH-GDLZYMKVSA-N 0 3 417.575 2.653 50 0 HFAAHN COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H](CN(C)C)c2ccccc2)c1C ZINC000225434922 568637799 /nfs/dbraw/zinc/63/77/99/568637799.db2.gz GRPYPCSHCHPENR-GOSISDBHSA-N 0 3 401.507 2.510 50 0 HFAAHN Cc1cc2c(cc3c(=O)n(CCCC(=O)NCCN4CCCC[C@@H]4C)nc(C)n23)o1 ZINC000020862244 568646212 /nfs/dbraw/zinc/64/62/12/568646212.db2.gz MGCUVPCBRDGHSE-HNNXBMFYSA-N 0 3 413.522 2.630 50 0 HFAAHN CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000021052358 568660960 /nfs/dbraw/zinc/66/09/60/568660960.db2.gz CGXZKJSYGZZSDM-SFHVURJKSA-N 0 3 415.625 2.822 50 0 HFAAHN CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000021052358 568660964 /nfs/dbraw/zinc/66/09/64/568660964.db2.gz CGXZKJSYGZZSDM-SFHVURJKSA-N 0 3 415.625 2.822 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12 ZINC000096397394 568746385 /nfs/dbraw/zinc/74/63/85/568746385.db2.gz HTUYIYGLYUJHKG-UHFFFAOYSA-N 0 3 420.448 2.517 50 0 HFAAHN Cc1ccc(C)c(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 ZINC000021795248 568753880 /nfs/dbraw/zinc/75/38/80/568753880.db2.gz WMROGALQALDZMP-UHFFFAOYSA-N 0 3 410.522 2.593 50 0 HFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000001074150 568768563 /nfs/dbraw/zinc/76/85/63/568768563.db2.gz FSCVDPOZJLMSOL-YLJYHZDGSA-N 0 3 406.465 2.622 50 0 HFAAHN CCN(CC)CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccnc2)cc1 ZINC000003202256 568846176 /nfs/dbraw/zinc/84/61/76/568846176.db2.gz CZRRJVANFQJLPJ-UHFFFAOYSA-N 0 3 400.504 2.707 50 0 HFAAHN COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)N(C)C)cc1 ZINC000003534393 568861932 /nfs/dbraw/zinc/86/19/32/568861932.db2.gz TZZFYRUWFIKEAF-RBBKRZOGSA-N 0 3 409.530 2.771 50 0 HFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cn(Cc3ccc(F)cc3)nn2)C1 ZINC000012571651 568862220 /nfs/dbraw/zinc/86/22/20/568862220.db2.gz IHBAKBRDJQLABU-LJQANCHMSA-N 0 3 407.493 2.993 50 0 HFAAHN CSc1ccc2cc(CNCCCN3CCCC3=O)c(N3CCOCC3)nc2c1 ZINC000299758986 568873193 /nfs/dbraw/zinc/87/31/93/568873193.db2.gz MGHBBWOCUDKKHO-UHFFFAOYSA-N 0 3 414.575 2.895 50 0 HFAAHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000058156239 568893043 /nfs/dbraw/zinc/89/30/43/568893043.db2.gz DRJGHVYWSSFLLY-JOCHJYFZSA-N 0 3 407.514 2.820 50 0 HFAAHN O=C(Cc1c(F)cccc1Cl)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670448422 568919600 /nfs/dbraw/zinc/91/96/00/568919600.db2.gz ARINLJPOPIUHLY-HESYMAFGSA-N 0 3 413.924 2.705 50 0 HFAAHN O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)NCCN1CCCCCC1 ZINC000015679190 568966704 /nfs/dbraw/zinc/96/67/04/568966704.db2.gz SKFQEFAUHAJZHT-UHFFFAOYSA-N 0 3 401.463 2.579 50 0 HFAAHN O=S(=O)(NCc1ccccc1CN1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000008231946 568984287 /nfs/dbraw/zinc/98/42/87/568984287.db2.gz WVGRWZKHHWUOCO-UHFFFAOYSA-N 0 3 402.516 2.922 50 0 HFAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1scc2c1CCCC2 ZINC000670471134 568998189 /nfs/dbraw/zinc/99/81/89/568998189.db2.gz QXDBLTYGCVODLP-NBTXJNEHSA-N 0 3 407.583 2.924 50 0 HFAAHN Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)s1 ZINC000020166970 569007924 /nfs/dbraw/zinc/00/79/24/569007924.db2.gz XUZIYTXDVCZTOG-LPHOPBHVSA-N 0 3 417.579 2.556 50 0 HFAAHN COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000229722352 569040619 /nfs/dbraw/zinc/04/06/19/569040619.db2.gz XEHVGTSCNJTDLS-UYAOXDASSA-N 0 3 412.486 2.564 50 0 HFAAHN C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000241231054 569054706 /nfs/dbraw/zinc/05/47/06/569054706.db2.gz KROSTEAXRXFXIJ-IRXDYDNUSA-N 0 3 406.552 2.562 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCOC[C@H]12 ZINC000035894969 569065145 /nfs/dbraw/zinc/06/51/45/569065145.db2.gz DAJNLTLHXNSUHJ-PKOBYXMFSA-N 0 3 411.468 2.685 50 0 HFAAHN COc1ccc(OC[C@H](O)CN(CCN2CCOCC2)Cc2ccc(C)cc2)cc1 ZINC000036101704 569091618 /nfs/dbraw/zinc/09/16/18/569091618.db2.gz DNSUBAKPBUQCNI-JOCHJYFZSA-N 0 3 414.546 2.578 50 0 HFAAHN Cc1ccc(CN2CC[C@H](CNC(=O)c3ccc4c(c3)nc(C)c(=O)n4C)C2)cc1 ZINC000064858963 569109325 /nfs/dbraw/zinc/10/93/25/569109325.db2.gz FGVMFEKGLMSAOL-LJQANCHMSA-N 0 3 404.514 2.802 50 0 HFAAHN Cc1nc2cc(C(=O)NCCN3CCCCC3)ccc2n(Cc2ccccc2)c1=O ZINC000064859242 569109369 /nfs/dbraw/zinc/10/93/69/569109369.db2.gz DFERZZKELBXKKC-UHFFFAOYSA-N 0 3 404.514 2.969 50 0 HFAAHN CC(=O)Nc1ccc(-n2cnc(C(=O)NC3CCN(Cc4ccccc4)CC3)c2)nc1 ZINC000065196831 569194900 /nfs/dbraw/zinc/19/49/00/569194900.db2.gz LLQYCFDQKUGUGL-UHFFFAOYSA-N 0 3 418.501 2.620 50 0 HFAAHN O=C(NCc1ccc2c(c1)OCO2)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255834 569208008 /nfs/dbraw/zinc/20/80/08/569208008.db2.gz ZLEUCDLDHRRZSM-FQEVSTJZSA-N 0 3 416.481 2.891 50 0 HFAAHN CN(CCc1ccncc1)C(=O)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255939 569208029 /nfs/dbraw/zinc/20/80/29/569208029.db2.gz HQWQMFXYZWDPHK-QFIPXVFZSA-N 0 3 401.514 2.942 50 0 HFAAHN CN(CCc1ccncc1)C(=O)c1ccc(N2CCN[C@H](c3ccccc3)C2)nc1 ZINC000065256108 569208218 /nfs/dbraw/zinc/20/82/18/569208218.db2.gz PVHZDSOKNWYMLJ-QFIPXVFZSA-N 0 3 401.514 2.942 50 0 HFAAHN CCNc1cc(N2CCC(CCC(=O)NCCN3CCCCCC3)CC2)ncn1 ZINC000065274267 569215158 /nfs/dbraw/zinc/21/51/58/569215158.db2.gz YGEDAMXMIGBFSC-UHFFFAOYSA-N 0 3 402.587 2.897 50 0 HFAAHN COC(=O)c1c(C)nsc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000065564711 569234355 /nfs/dbraw/zinc/23/43/55/569234355.db2.gz XCLWVEZVRPPVTO-STQMWFEESA-N 0 3 410.540 2.591 50 0 HFAAHN CC[C@@H]1CN(CC(C)(C)O)[C@H](CC)CN1CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000170607314 569244603 /nfs/dbraw/zinc/24/46/03/569244603.db2.gz AYBBIUXAAWOESG-QZTJIDSGSA-N 0 3 407.555 2.588 50 0 HFAAHN CC[C@@H]1CN(C(=O)Nc2ccc(-n3nccn3)cc2)[C@@H](CC)CN1CC(C)(C)O ZINC000170619527 569248330 /nfs/dbraw/zinc/24/83/30/569248330.db2.gz PJCJLBWSTCSOOH-MSOLQXFVSA-N 0 3 400.527 2.745 50 0 HFAAHN COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000007728825 569303374 /nfs/dbraw/zinc/30/33/74/569303374.db2.gz ANPKPFLJHFGHHX-UHFFFAOYSA-N 0 3 405.358 2.858 50 0 HFAAHN CC[C@H](C)[C@H]1N[C@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000252694128 569320192 /nfs/dbraw/zinc/32/01/92/569320192.db2.gz IBXANRPQRNBPCR-RBLDQICESA-N 0 3 403.482 2.653 50 0 biogenic HFAAHN COc1ccc([C@@H](CNC(=O)COc2ccc3c(C)cc(=O)oc3c2)N(C)C)cc1 ZINC000013041342 569408010 /nfs/dbraw/zinc/40/80/10/569408010.db2.gz AXFDYKKQLQYVIE-HXUWFJFHSA-N 0 3 410.470 2.908 50 0 HFAAHN CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CN(CC)CC)c2ccccc2)cc1 ZINC000040049397 571143361 /nfs/dbraw/zinc/14/33/61/571143361.db2.gz MKVPNEQAAGNWLW-HXUWFJFHSA-N 0 3 403.548 2.798 50 0 HFAAHN CC(=O)Nc1cc(NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c2ccccc2)ccc1F ZINC000040104596 571165433 /nfs/dbraw/zinc/16/54/33/571165433.db2.gz OYJNNSUXMXLEOI-JXFKEZNVSA-N 0 3 402.470 2.817 50 0 HFAAHN C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000040154929 571202436 /nfs/dbraw/zinc/20/24/36/571202436.db2.gz ZFCUJLBNGOSOAR-UKRRQHHQSA-N 0 3 420.307 2.551 50 0 HFAAHN COc1ccc(CN(C[C@@H](O)COCc2ccco2)C[C@H]2CCCO2)cc1OC ZINC000245343630 571226111 /nfs/dbraw/zinc/22/61/11/571226111.db2.gz UROMPUZNUDCWCU-RTBURBONSA-N 0 3 405.491 2.856 50 0 HFAAHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 ZINC000540634611 571317594 /nfs/dbraw/zinc/31/75/94/571317594.db2.gz SCKBOTGNFRIIMB-QFBILLFUSA-N 0 3 416.547 2.851 50 0 HFAAHN COCCNC(=O)[C@@H]1C[C@H](NCc2cccc(Cl)c2)CN1Cc1ccccc1 ZINC000032511700 523914535 /nfs/dbraw/zinc/91/45/35/523914535.db2.gz BGIGUTFRPLCUIX-SFTDATJTSA-N 0 3 401.938 2.835 50 0 HFAAHN C[NH+](C)CCCN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000032105172 524055475 /nfs/dbraw/zinc/05/54/75/524055475.db2.gz DZLKDPHRQXPRGF-SFHVURJKSA-N 0 3 423.355 2.625 50 0 HFAAHN Cc1nc2ccccc2n(CC(=O)NCC2CCN(Cc3ccccc3F)CC2)c1=O ZINC000032974638 527162002 /nfs/dbraw/zinc/16/20/02/527162002.db2.gz CRVPEAVFAFWJRT-UHFFFAOYSA-N 0 3 422.504 2.872 50 0 HFAAHN CN(C)CCNC(=O)c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000034684566 557387623 /nfs/dbraw/zinc/38/76/23/557387623.db2.gz TUWFCKLLWYISAK-UHFFFAOYSA-N 0 3 400.954 2.954 50 0 HFAAHN CC1CCC2(CC1)OC[C@H](C(=O)NCCN1CCCC1)N2C(=O)c1ccccc1F ZINC000034920941 557483522 /nfs/dbraw/zinc/48/35/22/557483522.db2.gz NMDGDCZQGIQEAJ-WEQDKIBNSA-N 0 3 417.525 2.785 50 0 HFAAHN CC1CCC2(CC1)OC[C@H](C(=O)NC1CCN(C)CC1)N2C(=O)c1ccccc1F ZINC000034921037 557483550 /nfs/dbraw/zinc/48/35/50/557483550.db2.gz FFLXOGQMFGBYGF-VRVFXRSRSA-N 0 3 417.525 2.784 50 0 HFAAHN CC1CCC2(CC1)OC[C@@H](C(=O)NC1CCN(C)CC1)N2C(=O)c1ccccc1F ZINC000034921035 557483565 /nfs/dbraw/zinc/48/35/65/557483565.db2.gz FFLXOGQMFGBYGF-UKAYHFCDSA-N 0 3 417.525 2.784 50 0 HFAAHN COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccc(F)cc1 ZINC000004998051 557622938 /nfs/dbraw/zinc/62/29/38/557622938.db2.gz KXTOQDGNCVNGHV-UHFFFAOYSA-N 0 3 403.483 2.819 50 0 HFAAHN CCc1ccc(CN2CCc3nnc([C@@H](CC(C)C)NC(=O)COC)n3CC2)cc1 ZINC000019744830 558265205 /nfs/dbraw/zinc/26/52/05/558265205.db2.gz MIIFBBWZSATLIT-HXUWFJFHSA-N 0 3 413.566 2.749 50 0 HFAAHN COc1ccc(N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)cc1 ZINC000011866001 558290041 /nfs/dbraw/zinc/29/00/41/558290041.db2.gz HWLNIOKMHRFYQW-LJQANCHMSA-N 0 3 407.514 2.829 50 0 HFAAHN CCc1ccc(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)cc1 ZINC000019835679 558292863 /nfs/dbraw/zinc/29/28/63/558292863.db2.gz YKGGNNWOARGCQL-UHFFFAOYSA-N 0 3 418.545 2.543 50 0 HFAAHN CCOC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000011936327 558300288 /nfs/dbraw/zinc/30/02/88/558300288.db2.gz ASHUITJHAOQFGM-CQSZACIVSA-N 0 3 403.479 2.878 50 0 HFAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnsn1 ZINC000011947361 558302366 /nfs/dbraw/zinc/30/23/66/558302366.db2.gz LOZVEKPLYJRKJR-INIZCTEOSA-N 0 3 405.543 2.593 50 0 HFAAHN CC(C)[C@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000011976035 558305534 /nfs/dbraw/zinc/30/55/34/558305534.db2.gz RNIVPUQAMPQSDG-NRFANRHFSA-N 0 3 404.518 2.859 50 0 HFAAHN Cc1c(C(=O)N(C)C2CCN(C)CC2)sc2ncnc(NC[C@H]3CCCO3)c12 ZINC000012079877 558320621 /nfs/dbraw/zinc/32/06/21/558320621.db2.gz JLMGUCMMNQEZOL-OAHLLOKOSA-N 0 3 403.552 2.757 50 0 HFAAHN COc1cccc(N2C[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)c1 ZINC000012389146 558396636 /nfs/dbraw/zinc/39/66/36/558396636.db2.gz BLXUNEQGRCFUSH-LJQANCHMSA-N 0 3 407.514 2.829 50 0 HFAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2ccccc2OC)CC1 ZINC000012709766 558451912 /nfs/dbraw/zinc/45/19/12/558451912.db2.gz DWCZVDHZOBETRD-NRFANRHFSA-N 0 3 404.551 2.604 50 0 HFAAHN COC(=O)CCCC(=O)N(CCN(C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012746095 558458197 /nfs/dbraw/zinc/45/81/97/558458197.db2.gz JKSURTGOKNTPAJ-IBGZPJMESA-N 0 3 421.557 2.771 50 0 HFAAHN c1c(CNCCN2CCOCC2)c(-c2ccc3c(c2)OCCO3)nn1-c1ccccc1 ZINC000022025346 558458776 /nfs/dbraw/zinc/45/87/76/558458776.db2.gz YAWRDOVQHIACDY-UHFFFAOYSA-N 0 3 420.513 2.732 50 0 HFAAHN CCc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cnn1-c1ccc(OC)nn1 ZINC000024541640 558600857 /nfs/dbraw/zinc/60/08/57/558600857.db2.gz XUHHTVSHIYEUQR-UHFFFAOYSA-N 0 3 420.517 2.628 50 0 HFAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN([C@@H](C)CSC)CC2)C1=O ZINC000014533328 558656920 /nfs/dbraw/zinc/65/69/20/558656920.db2.gz CFBJAHHPBSEGIB-KRWDZBQOSA-N 0 3 405.564 2.683 50 0 HFAAHN C[C@@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014538739 558659011 /nfs/dbraw/zinc/65/90/11/558659011.db2.gz VHGSOLMCWZLTKB-FQEVSTJZSA-N 0 3 421.541 2.909 50 0 HFAAHN CCn1c2ccccc2n(CC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1=O ZINC000014701789 558664049 /nfs/dbraw/zinc/66/40/49/558664049.db2.gz BWYWUIPJZXCFCZ-JOCHJYFZSA-N 0 3 422.529 2.785 50 0 HFAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cc(F)ccc1F)C2 ZINC000014744690 558668458 /nfs/dbraw/zinc/66/84/58/558668458.db2.gz YJDPCCOBRWNGCV-OAHLLOKOSA-N 0 3 406.502 2.534 50 0 HFAAHN COCCN1C(=O)N(CCc2ccccc2)C2(CCN([C@H](C)CSC)CC2)C1=O ZINC000014744970 558668689 /nfs/dbraw/zinc/66/86/89/558668689.db2.gz JBQUZMOOIDYAJW-GOSISDBHSA-N 0 3 419.591 2.726 50 0 HFAAHN COc1cc(CNCc2ccc(C)s2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000014949342 558680554 /nfs/dbraw/zinc/68/05/54/558680554.db2.gz ASDYEDOKKBDRIM-LJQANCHMSA-N 0 3 420.575 2.551 50 0 HFAAHN CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)C(=O)c1ccccc1 ZINC000014959574 558683575 /nfs/dbraw/zinc/68/35/75/558683575.db2.gz ITJMJRGNTMGKJH-QFIPXVFZSA-N 0 3 415.578 2.541 50 0 HFAAHN COc1ccc2c(c1)C[C@@H](C(=O)NCCCN1CCN(Cc3ccccc3)CC1)CO2 ZINC000022937993 558728281 /nfs/dbraw/zinc/72/82/81/558728281.db2.gz GFCILEUKCFZGOA-JOCHJYFZSA-N 0 3 423.557 2.570 50 0 HFAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 ZINC000015671271 558748497 /nfs/dbraw/zinc/74/84/97/558748497.db2.gz URKWHXXXEWBJMH-UHFFFAOYSA-N 0 3 421.954 2.550 50 0 HFAAHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000072304581 558757004 /nfs/dbraw/zinc/75/70/04/558757004.db2.gz UIQRYRCIHROICM-GOSISDBHSA-N 0 3 404.532 2.808 50 0 HFAAHN CCN1CCC(N(C)C(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000072306833 558766058 /nfs/dbraw/zinc/76/60/58/558766058.db2.gz OEQVYUFWYZXZDY-UHFFFAOYSA-N 0 3 420.985 2.712 50 0 HFAAHN Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN3CCCC3)s2)cc1 ZINC000032995151 558809336 /nfs/dbraw/zinc/80/93/36/558809336.db2.gz DCKILRGQVGQPEU-UHFFFAOYSA-N 0 3 401.536 2.634 50 0 HFAAHN Cc1nc2ccccc2n(Cc2ccc(C(=O)NCCN3CCCCC3)cc2)c1=O ZINC000033005827 558827617 /nfs/dbraw/zinc/82/76/17/558827617.db2.gz XAONJKISVFKZJN-UHFFFAOYSA-N 0 3 404.514 2.969 50 0 HFAAHN CCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CCCC[C@H]3C)c2)s1 ZINC000033022466 558837563 /nfs/dbraw/zinc/83/75/63/558837563.db2.gz UKTCFTJWGKFTLD-CQSZACIVSA-N 0 3 401.536 2.957 50 0 HFAAHN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H](N(C)Cc1ccsc1)C2 ZINC000019143719 558846434 /nfs/dbraw/zinc/84/64/34/558846434.db2.gz KCDHGXGGGZZKIQ-SFHVURJKSA-N 0 3 415.607 2.732 50 0 HFAAHN O=C(c1ccc(-c2ccccc2)c(F)c1)[C@H]1CCCN(Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000071499071 558903448 /nfs/dbraw/zinc/90/34/48/558903448.db2.gz XZLZFSKYPUFKLU-KRWDZBQOSA-N 0 3 407.445 2.964 50 0 HFAAHN COCCN1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000058407693 558925011 /nfs/dbraw/zinc/92/50/11/558925011.db2.gz QBEAPBBHHUKVMI-UHFFFAOYSA-N 0 3 414.468 2.981 50 0 HFAAHN COc1ccc(F)cc1S(=O)(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000065363669 558974760 /nfs/dbraw/zinc/97/47/60/558974760.db2.gz UMKFOUYJWVELOZ-UHFFFAOYSA-N 0 3 408.495 2.786 50 0 HFAAHN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1 ZINC000067338806 558986216 /nfs/dbraw/zinc/98/62/16/558986216.db2.gz JBMPWQIXTBSDLD-UHFFFAOYSA-N 0 3 415.559 2.640 50 0 HFAAHN O=C([C@@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1)N1CCCNCC1 ZINC000067867053 558994084 /nfs/dbraw/zinc/99/40/84/558994084.db2.gz RKLFQUDONUKZBI-LJQANCHMSA-N 0 3 405.546 2.671 50 0 HFAAHN O=C(CN1CCN(Cc2ccccc2F)C1=O)N1CCN(C2CCCCC2)CC1 ZINC000097137914 558996568 /nfs/dbraw/zinc/99/65/68/558996568.db2.gz RTPPTXFOGYQZFM-UHFFFAOYSA-N 0 3 402.514 2.540 50 0 HFAAHN O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NCCN1CCCC1 ZINC000004735483 559034635 /nfs/dbraw/zinc/03/46/35/559034635.db2.gz JVSCRUDUOPEJEL-QHCPKHFHSA-N 0 3 402.498 2.925 50 0 HFAAHN COc1ccc(OCCN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cc1 ZINC000091807831 559073697 /nfs/dbraw/zinc/07/36/97/559073697.db2.gz SIJVSDFHFFLXTI-NRFANRHFSA-N 0 3 402.535 2.958 50 0 HFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1cnc(C(C)C)nc1)C2 ZINC000095364028 559080048 /nfs/dbraw/zinc/08/00/48/559080048.db2.gz ULBDUQQMTBHWPA-XPNTWCBSSA-N 0 3 402.583 2.939 50 0 HFAAHN Cc1cccc(CN2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512684 559084254 /nfs/dbraw/zinc/08/42/54/559084254.db2.gz PVEMXEDYAGBFPM-JOCHJYFZSA-N 0 3 408.546 2.901 50 0 HFAAHN O=C(CNC(=O)c1ccc(Br)o1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023740208 559179628 /nfs/dbraw/zinc/17/96/28/559179628.db2.gz LSXKFQJLMMZJDH-OAHLLOKOSA-N 0 3 420.307 2.725 50 0 HFAAHN COCCCn1c(CC2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC000252498719 559277649 /nfs/dbraw/zinc/27/76/49/559277649.db2.gz RJIZPUWHMJHXJC-UHFFFAOYSA-N 0 3 405.587 2.596 50 0 HFAAHN O=c1c(CN2CCN(c3ccc(Cl)cc3)CC2)coc([O-])c1C[NH+]1CCCC1 ZINC000101409607 560794362 /nfs/dbraw/zinc/79/43/62/560794362.db2.gz OUVXZKSCMNOGAT-UHFFFAOYSA-N 0 3 403.910 2.917 50 0 HFAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000005710468 560805100 /nfs/dbraw/zinc/80/51/00/560805100.db2.gz ZOPZNBBJXXJODP-CTNGQTDRSA-N 0 3 413.543 2.693 50 0 HFAAHN CN(C)CCNC(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccccc1F ZINC000012324913 568471961 /nfs/dbraw/zinc/47/19/61/568471961.db2.gz OFHNLODCFBTKQQ-ZHZULCJRSA-N 0 3 408.477 2.766 50 0 HFAAHN CCCN1CCN(CCCNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000020415967 568606144 /nfs/dbraw/zinc/60/61/44/568606144.db2.gz BMASEXMZAMIWRS-UHFFFAOYSA-N 0 3 420.561 2.811 50 0 HFAAHN COC[C@H](O)CN1CCC(NC(=O)c2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000095445006 568611532 /nfs/dbraw/zinc/61/15/32/568611532.db2.gz JGBRFKUILIKJLX-JOCHJYFZSA-N 0 3 403.567 2.657 50 0 HFAAHN CN1CCN([C@H]2CCCCN(C(=O)Nc3ccc(N4CCSCC4)cc3)C2)CC1 ZINC000095454988 568616706 /nfs/dbraw/zinc/61/67/06/568616706.db2.gz FEYMUZBSZGXZSO-NRFANRHFSA-N 0 3 417.623 2.874 50 0 HFAAHN C[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CCN1C1CCN(C)CC1 ZINC000095455888 568617338 /nfs/dbraw/zinc/61/73/38/568617338.db2.gz ZXZFNCDKTBRMMN-GOSISDBHSA-N 0 3 424.545 2.797 50 0 HFAAHN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cnn(CCN2CCCCC2)c1 ZINC000095459043 568619215 /nfs/dbraw/zinc/61/92/15/568619215.db2.gz GYSFYMGFMMZCDH-HNNXBMFYSA-N 0 3 403.914 2.779 50 0 HFAAHN CN1CCC(NC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000095482574 568634742 /nfs/dbraw/zinc/63/47/42/568634742.db2.gz TVTOOVWYHGNKQG-UHFFFAOYSA-N 0 3 419.522 2.616 50 0 HFAAHN CN(C)CCNC(=O)c1ccc(CN2c3cc(-c4ccccc4)nn3CCC2=O)cc1 ZINC000020938566 568652581 /nfs/dbraw/zinc/65/25/81/568652581.db2.gz AMRULHQXSLAFFN-UHFFFAOYSA-N 0 3 417.513 2.778 50 0 HFAAHN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000095971809 568671517 /nfs/dbraw/zinc/67/15/17/568671517.db2.gz YUKQJXLVUKMKKN-ZDUSSCGKSA-N 0 3 406.335 2.766 50 0 HFAAHN CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3CCCN3[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000096286777 568719287 /nfs/dbraw/zinc/71/92/87/568719287.db2.gz HLZSTDLPKDLCJV-DRMXPCRNSA-N 0 3 418.497 2.940 50 0 biogenic HFAAHN Cc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000021794632 568753533 /nfs/dbraw/zinc/75/35/33/568753533.db2.gz FLQLXQJCFKIKCQ-UHFFFAOYSA-N 0 3 417.579 2.794 50 0 HFAAHN CN(C)[C@@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002634959 568791856 /nfs/dbraw/zinc/79/18/56/568791856.db2.gz OEMURBNEOQRKIT-KRWDZBQOSA-N 0 3 404.308 2.598 50 0 HFAAHN Cc1nn(C)c2nc(C)c(C(=O)NCCCN3CCN(C)C[C@@H]3c3ccccc3)cc12 ZINC000030000854 568855275 /nfs/dbraw/zinc/85/52/75/568855275.db2.gz LSIRFUOKGNYRAV-JOCHJYFZSA-N 0 3 420.561 2.694 50 0 HFAAHN O=C(CNCCCN1CCOCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003237510 568865835 /nfs/dbraw/zinc/86/58/35/568865835.db2.gz CDGFXPBLGBKQKW-UHFFFAOYSA-N 0 3 415.921 2.821 50 0 HFAAHN COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000015360794 568882059 /nfs/dbraw/zinc/88/20/59/568882059.db2.gz YVBRCVAWRIOKJM-UHFFFAOYSA-N 0 3 402.516 2.938 50 0 HFAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cc(-c2ccccc2)no1 ZINC000670441046 568891562 /nfs/dbraw/zinc/89/15/62/568891562.db2.gz QFZJBZJDRPNJSD-UXVFNKRRSA-N 0 3 414.509 2.639 50 0 HFAAHN COc1ccc([C@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)N(C)C)cc1 ZINC000003534391 568913456 /nfs/dbraw/zinc/91/34/56/568913456.db2.gz TZZFYRUWFIKEAF-IRLDBZIGSA-N 0 3 409.530 2.771 50 0 HFAAHN CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCN(C(C)C)C(C)C ZINC000012742957 568930046 /nfs/dbraw/zinc/93/00/46/568930046.db2.gz FWRQXJQDAIKJRA-GOSISDBHSA-N 0 3 422.595 2.519 50 0 HFAAHN O=C(CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)NC(=O)NC1CCCC1 ZINC000012756378 568943069 /nfs/dbraw/zinc/94/30/69/568943069.db2.gz OCUBPIBQLJVKNM-UHFFFAOYSA-N 0 3 412.534 2.702 50 0 HFAAHN O=C(CCc1c[nH]c2ccccc12)N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670461900 568953244 /nfs/dbraw/zinc/95/32/44/568953244.db2.gz MHRXJNBNVSFXED-FQKSQLJCSA-N 0 3 414.553 2.784 50 0 HFAAHN CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000012815303 568989523 /nfs/dbraw/zinc/98/95/23/568989523.db2.gz RGBLFDCMMPSGLI-UHFFFAOYSA-N 0 3 405.495 2.841 50 0 HFAAHN Cc1onc2c1c(C)nn(CCCC(=O)NC1CCN(Cc3ccccc3)CC1)c2=O ZINC000085613755 569004488 /nfs/dbraw/zinc/00/44/88/569004488.db2.gz YBHSKSGCFIFUCV-UHFFFAOYSA-N 0 3 423.517 2.562 50 0 HFAAHN CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000012896993 569020377 /nfs/dbraw/zinc/02/03/77/569020377.db2.gz ZCSBJNUUGRDDII-UHFFFAOYSA-N 0 3 415.559 2.652 50 0 HFAAHN COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCN4CCCC4)CC3)[nH]c2c1 ZINC000035561997 569045094 /nfs/dbraw/zinc/04/50/94/569045094.db2.gz FYKASHCFQHKWLY-UHFFFAOYSA-N 0 3 412.534 2.631 50 0 HFAAHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000241231055 569054695 /nfs/dbraw/zinc/05/46/95/569054695.db2.gz KROSTEAXRXFXIJ-SJORKVTESA-N 0 3 406.552 2.562 50 0 HFAAHN CN(C)CCOc1cc(CNC(=O)c2cc(Cl)c3c(c2)OCCCO3)ccn1 ZINC000089314357 569058502 /nfs/dbraw/zinc/05/85/02/569058502.db2.gz JGEQEOPOLBHPQR-UHFFFAOYSA-N 0 3 405.882 2.767 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCOC[C@@H]12 ZINC000035894973 569065170 /nfs/dbraw/zinc/06/51/70/569065170.db2.gz DAJNLTLHXNSUHJ-HKUYNNGSSA-N 0 3 411.468 2.685 50 0 HFAAHN COc1ccc(F)c(CN2CCC[C@@]3(CCN(CC(=O)N(C)C(C)C)C3)C2=O)c1 ZINC000426409223 569072742 /nfs/dbraw/zinc/07/27/42/569072742.db2.gz FJATUQCKFTVERP-QFIPXVFZSA-N 0 3 405.514 2.516 50 0 HFAAHN COc1ccc(OC[C@@H](O)CN(CCN2CCOCC2)Cc2ccc(C)cc2)cc1 ZINC000036101702 569091599 /nfs/dbraw/zinc/09/15/99/569091599.db2.gz DNSUBAKPBUQCNI-QFIPXVFZSA-N 0 3 414.546 2.578 50 0 HFAAHN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NCCN1CCCC1 ZINC000006807780 569132059 /nfs/dbraw/zinc/13/20/59/569132059.db2.gz ALMWUMLEERLWJY-GOSISDBHSA-N 0 3 407.518 2.577 50 0 HFAAHN O=C(CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1)NCCN1CCCCC1 ZINC000065245360 569205076 /nfs/dbraw/zinc/20/50/76/569205076.db2.gz WYZHWQGJHWCBEV-GOSISDBHSA-N 0 3 400.571 2.650 50 0 HFAAHN O=S(=O)(c1cc(-c2nnc(C3CC3)o2)co1)N1CCC(N2CCCCC2)CC1 ZINC000065246645 569205665 /nfs/dbraw/zinc/20/56/65/569205665.db2.gz YLIGFILIJUKLMR-UHFFFAOYSA-N 0 3 406.508 2.846 50 0 HFAAHN CN1CCC(N2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)CC1 ZINC000065258300 569210228 /nfs/dbraw/zinc/21/02/28/569210228.db2.gz LUUVTHJXRMXAJY-UHFFFAOYSA-N 0 3 419.533 2.773 50 0 HFAAHN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCC2(CC1)OCCO2 ZINC000002377865 569389630 /nfs/dbraw/zinc/38/96/30/569389630.db2.gz PMFUIJUPQXGWRS-UHFFFAOYSA-N 0 3 421.881 2.775 50 0 HFAAHN COCCN(C)CC[C@@H](NC(=O)C(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 ZINC000078751649 569420311 /nfs/dbraw/zinc/42/03/11/569420311.db2.gz FFEFZNILRFQXCA-OAQYLSRUSA-N 0 3 411.502 2.654 50 0 HFAAHN COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000019554712 569423016 /nfs/dbraw/zinc/42/30/16/569423016.db2.gz MURJOXCCBPOZLD-KRWDZBQOSA-N 0 3 403.276 2.922 50 0 HFAAHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc3c(c2)nnn3C)cc1 ZINC000079093426 569427177 /nfs/dbraw/zinc/42/71/77/569427177.db2.gz WKSGTEUBSPOSCV-OAHLLOKOSA-N 0 3 401.536 2.850 50 0 HFAAHN CN(C)[C@H](CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000040068072 571148712 /nfs/dbraw/zinc/14/87/12/571148712.db2.gz KIJTXICOEQSGCH-SFHVURJKSA-N 0 3 406.486 2.751 50 0 HFAAHN COCCN(C[C@@H]1CN(Cc2ccco2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000245343744 571226275 /nfs/dbraw/zinc/22/62/75/571226275.db2.gz YMXJBGWYBUVNLF-GHTZIAJQSA-N 0 3 416.518 2.625 50 0 HFAAHN COCCCNC(=O)c1nnn(-c2cccc3c2CCN(Cc2ccccc2)C3)c1C ZINC000069656241 571237084 /nfs/dbraw/zinc/23/70/84/571237084.db2.gz ITYNGKKBPHMVSG-UHFFFAOYSA-N 0 3 419.529 2.900 50 0 HFAAHN COc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)cc1 ZINC000010333556 571300455 /nfs/dbraw/zinc/30/04/55/571300455.db2.gz WNIOEMUCTFVFJN-QFIPXVFZSA-N 0 3 405.498 2.884 50 0 HFAAHN CCc1nccn1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000011819396 132351216 /nfs/dbraw/zinc/35/12/16/132351216.db2.gz UIIBOQCGONNDKW-NRFANRHFSA-N 0 3 409.578 2.957 50 0 HFAAHN CCNc1cc(NCCNS(=O)(=O)c2ccccc2C(F)(F)F)nc(C)n1 ZINC000044213721 520274781 /nfs/dbraw/zinc/27/47/81/520274781.db2.gz ARHDYKCQXYEBBV-UHFFFAOYSA-N 0 3 403.430 2.626 50 0 HFAAHN CCN(CC)CCn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)sc1=S ZINC000032952406 520713992 /nfs/dbraw/zinc/71/39/92/520713992.db2.gz FCNSNKTUIKUUAL-UHFFFAOYSA-N 0 3 408.549 2.862 50 0 HFAAHN CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000040414458 521793816 /nfs/dbraw/zinc/79/38/16/521793816.db2.gz OQWZIAVXCYIZNN-NRFANRHFSA-N 0 3 408.458 2.796 50 0 in-vitro HFAAHN C[C@@H](C(=O)NCCN1CCCCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944846 524186999 /nfs/dbraw/zinc/18/69/99/524186999.db2.gz FYEXAWGEKQFSJI-AWEZNQCLSA-N 0 3 410.440 2.969 50 0 HFAAHN Cc1ccc(N2C(=O)N(CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C(=O)[C@H]2C)cc1 ZINC000032819941 524924832 /nfs/dbraw/zinc/92/48/32/524924832.db2.gz FHOXANYKJKSTFY-QUCCMNQESA-N 0 3 420.513 2.543 50 0 HFAAHN Cc1ccccc1CN1CCC(NC(=O)CN2c3ccccc3O[C@@H](C)C2=O)CC1 ZINC000042127253 525137817 /nfs/dbraw/zinc/13/78/17/525137817.db2.gz BATMMNGRRAUTKU-SFHVURJKSA-N 0 3 407.514 2.890 50 0 HFAAHN CCCOc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000004427821 557554493 /nfs/dbraw/zinc/55/44/93/557554493.db2.gz YJYWWSJLISLHTE-LJQANCHMSA-N 0 3 412.486 2.957 50 0 HFAAHN Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)c2c1 ZINC000005274583 557642976 /nfs/dbraw/zinc/64/29/76/557642976.db2.gz IWMMQAJWIIXBND-IBGZPJMESA-N 0 3 405.454 2.712 50 0 HFAAHN COc1ccc(CCc2nnc(CCC(=O)N3CCN(C4CCCC4)CC3)o2)cc1 ZINC000019791093 558282459 /nfs/dbraw/zinc/28/24/59/558282459.db2.gz SHAPIQKUTFTEGO-UHFFFAOYSA-N 0 3 412.534 2.883 50 0 HFAAHN CN(C)CCN1C(=O)C[C@@](CC(=O)N(C)C2CCCCC2)(c2ccccc2F)C1=O ZINC000012004286 558308997 /nfs/dbraw/zinc/30/89/97/558308997.db2.gz CVRXQRXZDDUJMK-QHCPKHFHSA-N 0 3 417.525 2.565 50 0 HFAAHN CN(C(=O)CCn1cnc2ccccc2c1=O)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012053406 558314889 /nfs/dbraw/zinc/31/48/89/558314889.db2.gz CYEQUSAJYINJTH-OAQYLSRUSA-N 0 3 418.541 2.952 50 0 HFAAHN O[C@@H](COc1ccccc1CNCCOc1ccccc1)CN1CCSCC1 ZINC000012073406 558318473 /nfs/dbraw/zinc/31/84/73/558318473.db2.gz NJAHAMFENUZHJD-HXUWFJFHSA-N 0 3 402.560 2.644 50 0 HFAAHN CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1 ZINC000020441393 558363558 /nfs/dbraw/zinc/36/35/58/558363558.db2.gz KLVIPMITYIMSLZ-UHFFFAOYSA-N 0 3 407.584 2.932 50 0 HFAAHN CCN(CCN(C)C)C(=O)c1cnn(-c2nccc(-c3cccc(OC)c3)n2)c1C ZINC000012278853 558364727 /nfs/dbraw/zinc/36/47/27/558364727.db2.gz NOFZSHIACLUSOK-UHFFFAOYSA-N 0 3 408.506 2.670 50 0 HFAAHN CC(C)NC(=O)C1CCN(C2CCN(C(=O)[C@@H]3CC(=O)c4ccccc43)CC2)CC1 ZINC000012302474 558372050 /nfs/dbraw/zinc/37/20/50/558372050.db2.gz LARFIGDROKPRMI-OAQYLSRUSA-N 0 3 411.546 2.584 50 0 HFAAHN COc1cc(C(=O)N(Cc2nccn2C)C(C)C)ccc1OC1CCN(C)CC1 ZINC000012437981 558409749 /nfs/dbraw/zinc/40/97/49/558409749.db2.gz LRUQTQVLGHQIOP-UHFFFAOYSA-N 0 3 400.523 2.953 50 0 HFAAHN Cc1cc(C)cc(CN2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1 ZINC000020785159 558413496 /nfs/dbraw/zinc/41/34/96/558413496.db2.gz DFSLNOJSSUOOQQ-SFHVURJKSA-N 0 3 404.518 2.839 50 0 HFAAHN Cc1nonc1CN(C)Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000012458953 558418451 /nfs/dbraw/zinc/41/84/51/558418451.db2.gz AWVTXLOXKHJSJW-NRFANRHFSA-N 0 3 410.518 2.882 50 0 HFAAHN COc1cc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)cc2c1OCO2 ZINC000012465259 558420241 /nfs/dbraw/zinc/42/02/41/558420241.db2.gz TWEGTGDGYXIIQN-SFHVURJKSA-N 0 3 404.507 2.711 50 0 HFAAHN O=C(NCCc1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2)C1CCC1 ZINC000020995113 558426506 /nfs/dbraw/zinc/42/65/06/558426506.db2.gz HAWQVQJYFSEDPU-UHFFFAOYSA-N 0 3 403.530 2.948 50 0 HFAAHN CN(C(=O)c1cccc(N2CCNC2=O)c1)[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000012576835 558430933 /nfs/dbraw/zinc/43/09/33/558430933.db2.gz VWTRQHCBGFIRLU-JOCHJYFZSA-N 0 3 406.530 2.995 50 0 HFAAHN Cc1nn(CC(=O)N[C@H]2CCCN(CCCc3ccccc3)C2)c(=O)c2ccccc12 ZINC000012580210 558432377 /nfs/dbraw/zinc/43/23/77/558432377.db2.gz QMDOLBOZNPUDRK-NRFANRHFSA-N 0 3 418.541 2.918 50 0 HFAAHN O=C(CNC[C@H](c1ccc(F)cc1)N1CCOCC1)NCc1ccccc1Cl ZINC000022038372 558459556 /nfs/dbraw/zinc/45/95/56/558459556.db2.gz BQUDCTSTBMTKOH-HXUWFJFHSA-N 0 3 405.901 2.758 50 0 HFAAHN CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccc(F)cc3)c2)CC1 ZINC000022852924 558517212 /nfs/dbraw/zinc/51/72/12/558517212.db2.gz WKGLPHKYIXGYTP-HSZRJFAPSA-N 0 3 415.553 2.835 50 0 HFAAHN CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccc(F)cc3)c2)CC1 ZINC000022852923 558517314 /nfs/dbraw/zinc/51/73/14/558517314.db2.gz WKGLPHKYIXGYTP-QHCPKHFHSA-N 0 3 415.553 2.835 50 0 HFAAHN O=C1C[C@H](NCCc2ccccc2)C(=O)N1c1ccc(I)cc1 ZINC000013601689 558547834 /nfs/dbraw/zinc/54/78/34/558547834.db2.gz NDCWQGAGLYHFLR-INIZCTEOSA-N 0 3 420.250 2.755 50 0 HFAAHN O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)C1(N2CCOCC2)CCCCC1 ZINC000023339902 558550586 /nfs/dbraw/zinc/55/05/86/558550586.db2.gz ZEMQRPQQCAOMMH-QFIPXVFZSA-N 0 3 411.590 2.770 50 0 HFAAHN CN1CCN(C[C@@H](O)COc2ccc(CNCc3cccc(Cl)c3)cc2)CC1 ZINC000023374913 558554613 /nfs/dbraw/zinc/55/46/13/558554613.db2.gz SFERWGNCWISTDO-OAQYLSRUSA-N 0 3 403.954 2.617 50 0 HFAAHN COc1ccc([C@H](CNC(=O)CN2c3ccccc3OCCC2=O)N2CCCC2)cc1 ZINC000024762920 558611003 /nfs/dbraw/zinc/61/10/03/558611003.db2.gz LWOFKECIXFEKSC-NRFANRHFSA-N 0 3 423.513 2.764 50 0 HFAAHN COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccccc1)CC2 ZINC000014744200 558668355 /nfs/dbraw/zinc/66/83/55/558668355.db2.gz JLMULIJTJZEIEI-UHFFFAOYSA-N 0 3 422.529 2.917 50 0 HFAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccc(C)cc2)CC3)cc1 ZINC000014887394 558677859 /nfs/dbraw/zinc/67/78/59/558677859.db2.gz PAUOKEUYUKGDBZ-UHFFFAOYSA-N 0 3 419.529 2.626 50 0 HFAAHN Cc1cccc(CN2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)c1 ZINC000014950567 558681025 /nfs/dbraw/zinc/68/10/25/558681025.db2.gz ICAGBRUZRVCGPX-UHFFFAOYSA-N 0 3 421.520 2.685 50 0 HFAAHN C[C@@H](NC1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1)c1nccs1 ZINC000014981556 558691957 /nfs/dbraw/zinc/69/19/57/558691957.db2.gz KSMIBZBPDNSHIQ-MRXNPFEDSA-N 0 3 400.548 2.935 50 0 HFAAHN CCc1c(C(=O)N[C@@H]2CCOC(C)(C)C2)c(=O)cc(C)n1CCN1CCCCC1 ZINC000014990427 558693991 /nfs/dbraw/zinc/69/39/91/558693991.db2.gz NALBRIINZYVSDD-GOSISDBHSA-N 0 3 403.567 2.892 50 0 HFAAHN CC(=O)Nc1ccc(CN2CCC[C@@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014994842 558695790 /nfs/dbraw/zinc/69/57/90/558695790.db2.gz LINHULXWTZYRQP-HXUWFJFHSA-N 0 3 410.522 2.746 50 0 HFAAHN COc1cc(CN(C)Cc2cccnc2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000015070678 558712531 /nfs/dbraw/zinc/71/25/31/558712531.db2.gz ABZYDPZFFPYBQF-FQEVSTJZSA-N 0 3 417.575 2.511 50 0 HFAAHN CCCn1nc(C(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)c2ccccc2c1=O ZINC000015387813 558737168 /nfs/dbraw/zinc/73/71/68/558737168.db2.gz JZVWSKUWOWFDNT-FQEVSTJZSA-N 0 3 408.502 2.848 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1C ZINC000015671246 558748244 /nfs/dbraw/zinc/74/82/44/558748244.db2.gz WWBMSRGOYTYIHP-UHFFFAOYSA-N 0 3 415.563 2.513 50 0 HFAAHN CN(C)CCn1cc(NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cn1 ZINC000072309716 558774002 /nfs/dbraw/zinc/77/40/02/558774002.db2.gz YEHVYDVTOMJORM-INIZCTEOSA-N 0 3 408.547 2.556 50 0 HFAAHN Cc1ccc(Oc2ncccc2CNC(=O)C[C@@H]2CN(C)CCN2C)c(F)c1F ZINC000039532527 558822091 /nfs/dbraw/zinc/82/20/91/558822091.db2.gz WRFJVTPJZPSQRH-MRXNPFEDSA-N 0 3 404.461 2.713 50 0 HFAAHN CCc1nnc(C(=O)Nc2ccc(C(=O)NCCN3CCCC[C@H]3C)cc2)s1 ZINC000033011442 558830849 /nfs/dbraw/zinc/83/08/49/558830849.db2.gz SPFSPZZKODZAMV-CQSZACIVSA-N 0 3 401.536 2.957 50 0 HFAAHN OCCOc1ccccc1CN1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000019607697 558946578 /nfs/dbraw/zinc/94/65/78/558946578.db2.gz ADVVUGZFQNECJE-NRFANRHFSA-N 0 3 413.537 2.983 50 0 HFAAHN CCCCN1C(=O)C[C@@H](C(=O)NC2CCN(CC)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000022992167 558965304 /nfs/dbraw/zinc/96/53/04/558965304.db2.gz ZGMIUGPGIPEXQA-IRLDBZIGSA-N 0 3 401.551 2.985 50 0 HFAAHN Cc1ccc(C)c(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000065362311 558973039 /nfs/dbraw/zinc/97/30/39/558973039.db2.gz PDVMQTAWZYCRQA-UHFFFAOYSA-N 0 3 415.559 2.709 50 0 HFAAHN COc1ccc(NC(=O)N2CCN(c3cc(N(C)C)nc(C)n3)CC2)cc1Cl ZINC000065362579 558973420 /nfs/dbraw/zinc/97/34/20/558973420.db2.gz NAUURMRLSCFIIJ-UHFFFAOYSA-N 0 3 404.902 2.867 50 0 HFAAHN Cc1cccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1C ZINC000065363230 558974119 /nfs/dbraw/zinc/97/41/19/558974119.db2.gz GEELQAXZIAJVSB-UHFFFAOYSA-N 0 3 415.559 2.709 50 0 HFAAHN CN(C)[C@H]1CN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C[C@@H]1O ZINC000072425883 558978763 /nfs/dbraw/zinc/97/87/63/558978763.db2.gz GREAPTIRAPNZAB-HOTGVXAUSA-N 0 3 419.407 2.929 50 0 HFAAHN Cc1sc2nc(CS[C@H](C)C(=O)N3CCC[C@H](N(C)C)C3)[nH]c(=O)c2c1C ZINC000097000953 558987648 /nfs/dbraw/zinc/98/76/48/558987648.db2.gz IUOHSNOJCPKUSI-KGLIPLIRSA-N 0 3 408.593 2.776 50 0 HFAAHN CN(CCc1ccccc1)CCN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OC1=O ZINC000077300411 559000820 /nfs/dbraw/zinc/00/08/20/559000820.db2.gz IKJKFIODOFLLDA-UHFFFAOYSA-N 0 3 410.518 2.616 50 0 HFAAHN CC(C)NC(=O)N1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095512569 559084267 /nfs/dbraw/zinc/08/42/67/559084267.db2.gz JCWUEQCILDNLFP-NRFANRHFSA-N 0 3 400.567 2.987 50 0 HFAAHN COCCN1CCC(C(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000095517272 559084641 /nfs/dbraw/zinc/08/46/41/559084641.db2.gz VDEZJYWTIBTYAM-QHCPKHFHSA-N 0 3 402.535 2.945 50 0 HFAAHN COc1cc(CN(C)Cc2c(C)noc2C)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095516499 559084668 /nfs/dbraw/zinc/08/46/68/559084668.db2.gz SGYTZTNBEZWEDT-IBGZPJMESA-N 0 3 403.523 2.768 50 0 HFAAHN CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccccc3F)nc1=O)CCC2 ZINC000004851758 559191248 /nfs/dbraw/zinc/19/12/48/559191248.db2.gz URZYHODDHZJOAH-UHFFFAOYSA-N 0 3 418.538 2.944 50 0 HFAAHN Cc1cccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c1C ZINC000004851729 559191280 /nfs/dbraw/zinc/19/12/80/559191280.db2.gz HFQMIAKJSANARH-UHFFFAOYSA-N 0 3 400.548 2.641 50 0 HFAAHN CN(CCN(CCN1CCCCC1)C(=O)[C@@H]1CCCS1)C(=O)[C@@H]1CCCS1 ZINC000408518049 559213092 /nfs/dbraw/zinc/21/30/92/559213092.db2.gz SJHAVQJMVTWJOL-ROUUACIJSA-N 0 3 413.653 2.551 50 0 HFAAHN COCCN1CC[C@@H](CNC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)C1 ZINC000078714422 560540349 /nfs/dbraw/zinc/54/03/49/560540349.db2.gz XZYWRDOKYHUVRZ-KRWDZBQOSA-N 0 3 400.523 2.877 50 0 HFAAHN COc1cccc([C@H](CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)N2CCCC2)c1 ZINC000017702465 560723582 /nfs/dbraw/zinc/72/35/82/560723582.db2.gz PSKUYHZFEXRKRM-NRFANRHFSA-N 0 3 420.513 2.818 50 0 HFAAHN CNC(=O)c1cccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000108395243 568418819 /nfs/dbraw/zinc/41/88/19/568418819.db2.gz UHMUKDYRBGHICD-AQNXPRMDSA-N 0 3 417.550 2.940 50 0 HFAAHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000048300209 568437245 /nfs/dbraw/zinc/43/72/45/568437245.db2.gz NXFPNOCDMWMQMC-UHFFFAOYSA-N 0 3 407.580 2.711 50 0 HFAAHN Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(C5CCCCC5)CC4)c3c2c1 ZINC000020321865 568598836 /nfs/dbraw/zinc/59/88/36/568598836.db2.gz AOOKQXDTKBNBHA-UHFFFAOYSA-N 0 3 408.502 2.928 50 0 HFAAHN Cc1cc(N2C[C@H](C(=O)NC3CCN(C4CC4)CC3)CC2=O)ccc1Br ZINC000040069326 568615118 /nfs/dbraw/zinc/61/51/18/568615118.db2.gz RRUWSKJMKSVIMZ-CQSZACIVSA-N 0 3 420.351 2.853 50 0 HFAAHN CC[C@@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@H](CC)CN1CC(C)(C)O ZINC000225524548 568646877 /nfs/dbraw/zinc/64/68/77/568646877.db2.gz FVMMINMOUJMXMZ-ZIAGYGMSSA-N 0 3 405.465 2.923 50 0 HFAAHN Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000021148393 568672176 /nfs/dbraw/zinc/67/21/76/568672176.db2.gz JDNWZHFGNHWLDJ-UHFFFAOYSA-N 0 3 402.564 2.614 50 0 HFAAHN CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cc1 ZINC000096006758 568682952 /nfs/dbraw/zinc/68/29/52/568682952.db2.gz ADUQLUNQTGAHBE-GOSISDBHSA-N 0 3 406.573 2.844 50 0 HFAAHN CCN(CC)[C@@H](CNC(=O)[C@H](COC)NC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC000239667701 568729748 /nfs/dbraw/zinc/72/97/48/568729748.db2.gz BRNKSIMEXWNEMR-OALUTQOASA-N 0 3 423.554 2.734 50 0 HFAAHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000230138055 568851237 /nfs/dbraw/zinc/85/12/37/568851237.db2.gz RCJZEOFAUUSDOA-HFTRVMKXSA-N 0 3 411.468 2.853 50 0 HFAAHN O=S1(=O)CC[C@H](NCc2cc3cc4c(cc3nc2-c2ccsc2)OCO4)C1 ZINC000299802857 568876658 /nfs/dbraw/zinc/87/66/58/568876658.db2.gz RFUWXGXDMOHFLM-HNNXBMFYSA-N 0 3 402.497 2.969 50 0 HFAAHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000058023153 568878157 /nfs/dbraw/zinc/87/81/57/568878157.db2.gz WMAXYZNBNMPAOY-HNNXBMFYSA-N 0 3 410.898 2.948 50 0 HFAAHN O=C(NCCN1CCCC[C@H]1CO)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000670439907 568889820 /nfs/dbraw/zinc/88/98/20/568889820.db2.gz RTGJEPZUNMKERY-DEOSSOPVSA-N 0 3 407.558 2.822 50 0 HFAAHN COCC1CCN(S(=O)(=O)NCC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000670444442 568903811 /nfs/dbraw/zinc/90/38/11/568903811.db2.gz YDMGDBWMCIRQCH-OAQYLSRUSA-N 0 3 409.596 2.624 50 0 HFAAHN COc1ccccc1OC[C@@H](O)Cn1c2ccccc2n(CCN2CCCCC2)c1=N ZINC000001274410 568910224 /nfs/dbraw/zinc/91/02/24/568910224.db2.gz WBUOOXNMVHIUJT-IBGZPJMESA-N 0 3 424.545 2.857 50 0 HFAAHN CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCN(C(C)C)C(C)C ZINC000012742960 568930009 /nfs/dbraw/zinc/93/00/09/568930009.db2.gz FWRQXJQDAIKJRA-SFHVURJKSA-N 0 3 422.595 2.519 50 0 HFAAHN COc1ccc([C@@H](CNC(=O)CNC(=O)Cc2cccc3ccccc32)N(C)C)cc1 ZINC000012786375 568960182 /nfs/dbraw/zinc/96/01/82/568960182.db2.gz RFFQXTDUIVJMMR-HSZRJFAPSA-N 0 3 419.525 2.926 50 0 HFAAHN COc1ccc(C(OC[C@H](O)CN2CCC(O)CC2)c2ccc(OC)cc2)cc1 ZINC000008188140 568980650 /nfs/dbraw/zinc/98/06/50/568980650.db2.gz NJNUBWLIMCVXJL-HXUWFJFHSA-N 0 3 401.503 2.627 50 0 HFAAHN CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)CC1 ZINC000015730924 568981469 /nfs/dbraw/zinc/98/14/69/568981469.db2.gz UWHXKKGVAHRNBT-HNNXBMFYSA-N 0 3 411.593 2.910 50 0 HFAAHN COc1ccc2c(c1)CCc1c(C(=O)N3CCC(CCN4CCOCC4)CC3)n[nH]c1-2 ZINC000015772883 568998871 /nfs/dbraw/zinc/99/88/71/568998871.db2.gz SJVTXJAHWREYAU-UHFFFAOYSA-N 0 3 424.545 2.758 50 0 HFAAHN O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012912255 569021795 /nfs/dbraw/zinc/02/17/95/569021795.db2.gz DDAJJQYXETXIEP-HSZRJFAPSA-N 0 3 420.557 2.728 50 0 HFAAHN CN(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1ccccc1 ZINC000012917694 569022602 /nfs/dbraw/zinc/02/26/02/569022602.db2.gz NZYISISOKSPTGG-NRFANRHFSA-N 0 3 415.559 2.940 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCOC[C@H]12 ZINC000035894971 569065139 /nfs/dbraw/zinc/06/51/39/569065139.db2.gz DAJNLTLHXNSUHJ-IEBWSBKVSA-N 0 3 411.468 2.685 50 0 HFAAHN O=C(CN1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O)N1CCCCC1 ZINC000426444619 569073063 /nfs/dbraw/zinc/07/30/63/569073063.db2.gz OZXIXTGZRZKTSB-JOCHJYFZSA-N 0 3 405.489 2.792 50 0 HFAAHN C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775950 569093656 /nfs/dbraw/zinc/09/36/56/569093656.db2.gz FLORGDLHWHZVGJ-KRWDZBQOSA-N 0 3 421.545 2.926 50 0 HFAAHN COc1ccc(CN(C[C@@H](O)COCc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000169678138 569126815 /nfs/dbraw/zinc/12/68/15/569126815.db2.gz UROMPUZNUDCWCU-MOPGFXCFSA-N 0 3 405.491 2.856 50 0 HFAAHN CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1 ZINC000036314007 569133874 /nfs/dbraw/zinc/13/38/74/569133874.db2.gz RYUXICPEQWZTBL-HXUWFJFHSA-N 0 3 415.534 2.788 50 0 HFAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN3CCCC[C@H]3C)c(=O)c21 ZINC000006900119 569176223 /nfs/dbraw/zinc/17/62/23/569176223.db2.gz WABOBCSRNZXLSF-QGZVFWFLSA-N 0 3 409.534 2.752 50 0 HFAAHN Cc1nn(C)cc1CN(C)C(=O)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256349 569208446 /nfs/dbraw/zinc/20/84/46/569208446.db2.gz ZOBBZUUTZHLLFT-NRFANRHFSA-N 0 3 404.518 2.547 50 0 HFAAHN O=C(CCC1CCN(c2cc(NC3CC3)ncn2)CC1)NCCN1CCCCC1 ZINC000065274298 569215046 /nfs/dbraw/zinc/21/50/46/569215046.db2.gz QPKOMRZQHCBWKF-UHFFFAOYSA-N 0 3 400.571 2.650 50 0 HFAAHN COc1ccc(CN(C)CC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000007730439 569303523 /nfs/dbraw/zinc/30/35/23/569303523.db2.gz DPQIMALHCCYDHR-UHFFFAOYSA-N 0 3 411.546 2.916 50 0 HFAAHN COc1c2c(c(CNC(=O)c3ccc4c(ccn4C)c3)c3c1CN(C)CC3)OCO2 ZINC000526052604 569317636 /nfs/dbraw/zinc/31/76/36/569317636.db2.gz SZFQHQNMUAHKND-UHFFFAOYSA-N 0 3 407.470 2.834 50 0 HFAAHN Cc1cccc(S(=O)(=O)c2cnc(N3CCC(N4CCCCC4)CC3)nc2N)c1 ZINC000067336359 571080159 /nfs/dbraw/zinc/08/01/59/571080159.db2.gz OYPJAKLWVCLFKM-UHFFFAOYSA-N 0 3 415.563 2.655 50 0 HFAAHN CC(=O)Nc1cc(NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)ccc1F ZINC000040104594 571165544 /nfs/dbraw/zinc/16/55/44/571165544.db2.gz OYJNNSUXMXLEOI-OXJNMPFZSA-N 0 3 402.470 2.817 50 0 HFAAHN CN1CCCN(c2ccc(NC(=O)N3CCC(C4OCCO4)CC3)cc2F)CC1 ZINC000069240048 571215216 /nfs/dbraw/zinc/21/52/16/571215216.db2.gz BXOQKDHHIQTDEC-UHFFFAOYSA-N 0 3 406.502 2.584 50 0 HFAAHN CN(C)[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000010333565 571300545 /nfs/dbraw/zinc/30/05/45/571300545.db2.gz HPKBGLSGZPBTOO-FQEVSTJZSA-N 0 3 419.481 2.604 50 0 HFAAHN CCN(CC)[C@H](CNS(=O)(=O)c1cc(OC)ccc1OC)Cc1ccccc1 ZINC000032824069 520868365 /nfs/dbraw/zinc/86/83/65/520868365.db2.gz QHNJZZGNVZDIFO-SFHVURJKSA-N 0 3 406.548 2.935 50 0 HFAAHN CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@H]1COc2ccccc2O1 ZINC000040414461 521795099 /nfs/dbraw/zinc/79/50/99/521795099.db2.gz OQWZIAVXCYIZNN-OAQYLSRUSA-N 0 3 408.458 2.796 50 0 in-vitro HFAAHN CC[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)cc1)N1CCc2ccccc2C1 ZINC000032446348 522185127 /nfs/dbraw/zinc/18/51/27/522185127.db2.gz FQAABOAMQRECOY-OAQYLSRUSA-N 0 3 400.544 2.798 50 0 HFAAHN Cc1ccc(N2C(=O)N(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C(=O)[C@H]2C)cc1 ZINC000032819937 524923997 /nfs/dbraw/zinc/92/39/97/524923997.db2.gz FHOXANYKJKSTFY-UYAOXDASSA-N 0 3 420.513 2.543 50 0 HFAAHN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCCN3CCC(C(N)=O)CC3)c12 ZINC000032931870 526677888 /nfs/dbraw/zinc/67/78/88/526677888.db2.gz OTHISRAJCQOTJS-UHFFFAOYSA-N 0 3 421.501 2.515 50 0 HFAAHN O=C(c1nc2sccn2c1CNCCCN1CCOCC1)N1CCCCCCC1 ZINC000020455387 526919179 /nfs/dbraw/zinc/91/91/79/526919179.db2.gz XKHFNOCCJUCWFR-UHFFFAOYSA-N 0 3 419.595 2.614 50 0 HFAAHN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032103292 527139263 /nfs/dbraw/zinc/13/92/63/527139263.db2.gz HAILDVPYZTWKRM-FQEVSTJZSA-N 0 3 406.486 2.558 50 0 HFAAHN OCCN(Cc1ccccc1)C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000002940365 557428768 /nfs/dbraw/zinc/42/87/68/557428768.db2.gz AJQMZRFUUSBXSX-HNNXBMFYSA-N 0 3 416.262 2.962 50 0 HFAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000004258255 557532716 /nfs/dbraw/zinc/53/27/16/557532716.db2.gz ZVCWSVGBOGFIQK-UHFFFAOYSA-N 0 3 418.588 2.721 50 0 HFAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000005352519 557646538 /nfs/dbraw/zinc/64/65/38/557646538.db2.gz MQSLGXXTYFEZEA-HXUWFJFHSA-N 0 3 405.454 2.809 50 0 HFAAHN CN(C)CCCNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O ZINC000002809839 557767657 /nfs/dbraw/zinc/76/76/57/557767657.db2.gz CUUMBMSJHRVRLG-UHFFFAOYSA-N 0 3 401.894 2.691 50 0 HFAAHN CCn1ccnc1CN1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000011819988 558283398 /nfs/dbraw/zinc/28/33/98/558283398.db2.gz TZSNIENNUAIYPV-UHFFFAOYSA-N 0 3 413.566 2.580 50 0 HFAAHN CN(C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)CN1Cc1ccc(F)c(F)c1 ZINC000011882131 558295521 /nfs/dbraw/zinc/29/55/21/558295521.db2.gz VOVWCYVXZCXFMR-APWZRJJASA-N 0 3 420.529 2.773 50 0 HFAAHN Cc1cnc(CNCc2ccc(OC[C@@H](O)CN(C)Cc3ccccc3)cc2)cn1 ZINC000012051370 558314180 /nfs/dbraw/zinc/31/41/80/558314180.db2.gz IMQUJJZIFWMHIX-QHCPKHFHSA-N 0 3 406.530 2.947 50 0 HFAAHN C[C@H](O)c1ccc(-c2ccc(CNCCc3ccc(S(N)(=O)=O)cc3)o2)cc1 ZINC000020018589 558320590 /nfs/dbraw/zinc/32/05/90/558320590.db2.gz GHFIMGMFQDZOPF-HNNXBMFYSA-N 0 3 400.500 2.980 50 0 HFAAHN Cc1ccc(CN2CCc3nnc([C@@H](NC(=O)[C@@H]4CCOC4)C(C)C)n3CC2)s1 ZINC000020166967 558342889 /nfs/dbraw/zinc/34/28/89/558342889.db2.gz XUZIYTXDVCZTOG-APWZRJJASA-N 0 3 417.579 2.556 50 0 HFAAHN CN(C)CCN1C(=O)C[C@](CC(=O)N2CCCCCCC2)(c2cccc(F)c2)C1=O ZINC000012205599 558352501 /nfs/dbraw/zinc/35/25/01/558352501.db2.gz OAZIWMPUHWRPKS-HSZRJFAPSA-N 0 3 417.525 2.567 50 0 HFAAHN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000012431439 558405933 /nfs/dbraw/zinc/40/59/33/558405933.db2.gz DRQOPDXOTFTBLV-NRFANRHFSA-N 0 3 420.561 2.887 50 0 HFAAHN COCCN1CCC[C@H](CNC(=O)c2cc(COc3c(C)cccc3C)on2)C1 ZINC000012457172 558417842 /nfs/dbraw/zinc/41/78/42/558417842.db2.gz AZNZAYCJYPGXGQ-GOSISDBHSA-N 0 3 401.507 2.959 50 0 HFAAHN CC(C)Cc1ccc(CN2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)cc1 ZINC000020917613 558423104 /nfs/dbraw/zinc/42/31/04/558423104.db2.gz MZIIYQDGIHWUPQ-UHFFFAOYSA-N 0 3 418.545 2.860 50 0 HFAAHN COc1ccccc1CN1C[C@@H](C(=O)NCCN(C)CCc2ccccc2)CCC1=O ZINC000012703139 558448451 /nfs/dbraw/zinc/44/84/51/558448451.db2.gz UMURCEOUBGGWFR-QFIPXVFZSA-N 0 3 423.557 2.725 50 0 HFAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1=NN(C)C(=O)CC1 ZINC000012719088 558456490 /nfs/dbraw/zinc/45/64/90/558456490.db2.gz ZTWGTTUOYWAKRO-SFHVURJKSA-N 0 3 402.514 2.537 50 0 HFAAHN CCN(CC)CCN(C(=O)CN1C(=O)CCC1=O)c1nc2c(cccc2Cl)s1 ZINC000004359484 558456643 /nfs/dbraw/zinc/45/66/43/558456643.db2.gz GBCBRISSOXAFMF-UHFFFAOYSA-N 0 3 422.938 2.774 50 0 HFAAHN CC(=O)N1CCc2cc(NC(=O)CN3CCCN(Cc4ccccc4)CC3)ccc21 ZINC000022912660 558520088 /nfs/dbraw/zinc/52/00/88/558520088.db2.gz BYMOWBDATSCAPB-UHFFFAOYSA-N 0 3 406.530 2.742 50 0 HFAAHN COc1ccc(-c2n[nH]cc2CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000023338796 558550298 /nfs/dbraw/zinc/55/02/98/558550298.db2.gz BKGSSXNCXLMFGM-DHIUTWEWSA-N 0 3 421.545 2.590 50 0 HFAAHN CC1(C)Cc2c(sc3nc(N4CCNCC4)n(Cc4ccccc4)c(=O)c32)CO1 ZINC000013629926 558551996 /nfs/dbraw/zinc/55/19/96/558551996.db2.gz HJGSAJYNGJIDET-UHFFFAOYSA-N 0 3 410.543 2.767 50 0 HFAAHN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(c3ccncc3)CC2)C1=O ZINC000023847860 558577846 /nfs/dbraw/zinc/57/78/46/558577846.db2.gz VEAJLDRKSFIWEI-DEOSSOPVSA-N 0 3 415.497 2.782 50 0 HFAAHN CN1CCC2(CC1)OCCN2C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000013727128 558584754 /nfs/dbraw/zinc/58/47/54/558584754.db2.gz GEBYGQOOUNKLRX-UHFFFAOYSA-N 0 3 406.280 2.998 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)CCNC(=O)c3cccs3)c(C)c2)CC1 ZINC000024990331 558625892 /nfs/dbraw/zinc/62/58/92/558625892.db2.gz QRPQDYXQGGNKKF-UHFFFAOYSA-N 0 3 400.548 2.957 50 0 HFAAHN CC(C)(CNC(=O)CSc1nnnn1C1CCCC1)N1CCc2ccccc2C1 ZINC000025898944 558651723 /nfs/dbraw/zinc/65/17/23/558651723.db2.gz NGGKTXNEGNPLLX-UHFFFAOYSA-N 0 3 414.579 2.833 50 0 HFAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C ZINC000014539931 558659446 /nfs/dbraw/zinc/65/94/46/558659446.db2.gz RKIMOFLZVKQOMT-LJQANCHMSA-N 0 3 416.566 2.804 50 0 HFAAHN Cc1c(CN2CCC3(CC2)C(=O)N(Cc2ccccn2)C(=O)N3CC(C)C)cnn1C ZINC000014542877 558660625 /nfs/dbraw/zinc/66/06/25/558660625.db2.gz NHEIQTTWLHBWGZ-UHFFFAOYSA-N 0 3 424.549 2.579 50 0 HFAAHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 ZINC000014743226 558667768 /nfs/dbraw/zinc/66/77/68/558667768.db2.gz PMMMGJSVRWFKOD-MRXNPFEDSA-N 0 3 402.539 2.878 50 0 HFAAHN COc1cccc([C@@H](CNC(=O)CCNC(=O)c2cccs2)N2CCCC2)c1 ZINC000027341136 558672052 /nfs/dbraw/zinc/67/20/52/558672052.db2.gz RUNXTLGNRDDUNG-GOSISDBHSA-N 0 3 401.532 2.830 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cn(Cc2c(F)cccc2F)nn1 ZINC000014961422 558684063 /nfs/dbraw/zinc/68/40/63/558684063.db2.gz BQNYAZPNQKWHIT-UHFFFAOYSA-N 0 3 411.456 2.999 50 0 HFAAHN COc1cc(CNCc2ccc(F)cc2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000014974654 558688818 /nfs/dbraw/zinc/68/88/18/558688818.db2.gz BZVRHOZBWHQLSM-FQEVSTJZSA-N 0 3 420.550 2.913 50 0 HFAAHN COc1cc(CNCc2ccc(F)cc2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000014974657 558688860 /nfs/dbraw/zinc/68/88/60/558688860.db2.gz BZVRHOZBWHQLSM-HXUWFJFHSA-N 0 3 420.550 2.913 50 0 HFAAHN O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]2CN(Cc3ccc(F)cc3)CC[C@H]21 ZINC000015000896 558697621 /nfs/dbraw/zinc/69/76/21/558697621.db2.gz PPIUXWGOIUAAOQ-WIYYLYMNSA-N 0 3 420.488 2.960 50 0 HFAAHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCN(c2ncccn2)CC1 ZINC000072289636 558722240 /nfs/dbraw/zinc/72/22/40/558722240.db2.gz NEFNIJUHKDNLHM-OAQYLSRUSA-N 0 3 422.577 2.781 50 0 HFAAHN CCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CCCCCC3)c2)s1 ZINC000033022457 558837597 /nfs/dbraw/zinc/83/75/97/558837597.db2.gz XZHGCXNAIHJXFK-UHFFFAOYSA-N 0 3 401.536 2.959 50 0 HFAAHN CCCCc1ccc(C(=O)N[C@H](C)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1 ZINC000013571524 558844640 /nfs/dbraw/zinc/84/46/40/558844640.db2.gz IGBJBLRTTQFEDU-QGZVFWFLSA-N 0 3 423.561 2.534 50 0 HFAAHN CC(C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000071957197 558847397 /nfs/dbraw/zinc/84/73/97/558847397.db2.gz SPEKDUVULOSRPX-QMTHXVAHSA-N 0 3 407.319 2.746 50 0 HFAAHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNC[C@H]([C@@H]1CCOC1)N1CCOCC1 ZINC000058128588 558900168 /nfs/dbraw/zinc/90/01/68/558900168.db2.gz MIRJDHQUUNFFJQ-VGOFRKELSA-N 0 3 420.504 2.594 50 0 HFAAHN CN1CCCN(c2ccc(CNC(=O)Nc3cccc(Cn4ccnc4)c3)cn2)CC1 ZINC000058283164 558916454 /nfs/dbraw/zinc/91/64/54/558916454.db2.gz PMRFIXNRRKUFBD-UHFFFAOYSA-N 0 3 419.533 2.790 50 0 HFAAHN COc1ccc(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)cc1 ZINC000035992968 558926122 /nfs/dbraw/zinc/92/61/22/558926122.db2.gz GJKRDOVPGLKHGH-UHFFFAOYSA-N 0 3 416.522 2.516 50 0 HFAAHN O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCN1CCCC1 ZINC000033062170 558955854 /nfs/dbraw/zinc/95/58/54/558955854.db2.gz FEOKEXLUIMWQMG-UHFFFAOYSA-N 0 3 407.927 2.588 50 0 HFAAHN Cc1nc(NCCNC(=O)c2ccccc2Br)cc(N2CCCC2)n1 ZINC000065364604 558975677 /nfs/dbraw/zinc/97/56/77/558975677.db2.gz AUVREBPWDXLDGM-UHFFFAOYSA-N 0 3 404.312 2.990 50 0 HFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 ZINC000067601825 558987489 /nfs/dbraw/zinc/98/74/89/558987489.db2.gz UCPNVUODHMZDHS-UHFFFAOYSA-N 0 3 404.518 2.758 50 0 HFAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3[C@H](C)CCC[C@@H]3C)ccc2c1=O ZINC000004791759 559065556 /nfs/dbraw/zinc/06/55/56/559065556.db2.gz QZYOHMMGLQCTAQ-CALCHBBNSA-N 0 3 414.550 2.873 50 0 HFAAHN O=C(Cn1cnc2ccccc2c1=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095387181 559080661 /nfs/dbraw/zinc/08/06/61/559080661.db2.gz MZQMDMYTZHBXEU-VQTJNVASSA-N 0 3 402.498 2.520 50 0 HFAAHN CC(C)NC(=O)N1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095512568 559084326 /nfs/dbraw/zinc/08/43/26/559084326.db2.gz JCWUEQCILDNLFP-OAQYLSRUSA-N 0 3 400.567 2.987 50 0 HFAAHN COc1cc(CN(C)Cc2c(C)noc2C)ccc1OC[C@H](O)CN1CCCC1 ZINC000095516498 559084435 /nfs/dbraw/zinc/08/44/35/559084435.db2.gz SGYTZTNBEZWEDT-LJQANCHMSA-N 0 3 403.523 2.768 50 0 HFAAHN COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1sc2[nH]cnc(=O)c2c1C ZINC000409414731 559250191 /nfs/dbraw/zinc/25/01/91/559250191.db2.gz VTOAFDGYVUMYFC-JKSUJKDBSA-N 0 3 418.563 2.646 50 0 biogenic HFAAHN CN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H]1CCCCN12 ZINC000252430762 559277132 /nfs/dbraw/zinc/27/71/32/559277132.db2.gz INAWKYYRGFLTDR-XHOYROJHSA-N 0 3 401.466 2.532 50 0 HFAAHN CC[C@@H]1CN(CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000252533102 559278188 /nfs/dbraw/zinc/27/81/88/559278188.db2.gz FVMMINMOUJMXMZ-UONOGXRCSA-N 0 3 405.465 2.923 50 0 HFAAHN O=C(Nc1ccccc1Cl)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000061719451 560536106 /nfs/dbraw/zinc/53/61/06/560536106.db2.gz SMOVIZOJCUNHNN-ZDUSSCGKSA-N 0 3 424.844 2.952 50 0 HFAAHN CCN1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3OC)c(=O)c2C1 ZINC000062007134 560566356 /nfs/dbraw/zinc/56/63/56/560566356.db2.gz REPHCGZNSNXNHS-UHFFFAOYSA-N 0 3 418.497 2.936 50 0 HFAAHN CCCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000017317474 560708829 /nfs/dbraw/zinc/70/88/29/560708829.db2.gz BVSLLWXUMCULAF-UHFFFAOYSA-N 0 3 404.532 2.786 50 0 HFAAHN CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000104210160 560849943 /nfs/dbraw/zinc/84/99/43/560849943.db2.gz UYULHYOIAZNEKC-YXAHYSCSSA-N 0 3 413.543 2.852 50 0 HFAAHN CCN1CCN(Cc2ccccc2CNC(=O)COc2ccc(F)cc2F)CC1 ZINC000046940863 560879599 /nfs/dbraw/zinc/87/95/99/560879599.db2.gz QDOWGBUZRCUTRU-UHFFFAOYSA-N 0 3 403.473 2.798 50 0 HFAAHN CCN(C(=O)c1cccc(S(N)(=O)=O)c1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106152740 560885000 /nfs/dbraw/zinc/88/50/00/560885000.db2.gz MLXIEIZBMYYRPI-APWZRJJASA-N 0 3 401.532 2.632 50 0 HFAAHN O=C(c1ccccc1)N1C[C@H](CNCc2ccc(OC(F)F)cc2)N2CC[C@H]1C2 ZINC000108367048 568418669 /nfs/dbraw/zinc/41/86/69/568418669.db2.gz WIEQWZTWMQIQHX-OALUTQOASA-N 0 3 401.457 2.977 50 0 HFAAHN O=C(c1ccccc1)N1C[C@H](CNCc2cccc3c2OCCCO3)N2CC[C@H]1C2 ZINC000108455625 568419014 /nfs/dbraw/zinc/41/90/14/568419014.db2.gz YAVNECHBLAGAFF-SFTDATJTSA-N 0 3 407.514 2.536 50 0 HFAAHN O=S(=O)(c1ccc(OCCN2CCC[C@@H]2c2ccsc2)cc1)N1CCOCC1 ZINC000048291101 568435384 /nfs/dbraw/zinc/43/53/84/568435384.db2.gz XNVYIVANNCTDGF-HXUWFJFHSA-N 0 3 422.572 2.985 50 0 HFAAHN Cc1ccc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1F ZINC000049400720 568447598 /nfs/dbraw/zinc/44/75/98/568447598.db2.gz AFMSOQGLBZAXIS-UHFFFAOYSA-N 0 3 406.461 2.888 50 0 HFAAHN Cc1nc2c(c(=O)n1CC(=O)NCc1ccccc1F)CN(Cc1ccccc1)CC2 ZINC000049400874 568447638 /nfs/dbraw/zinc/44/76/38/568447638.db2.gz UFGGFUSALNBNAG-UHFFFAOYSA-N 0 3 420.488 2.566 50 0 HFAAHN CC(C)(c1ccccc1)c1ccc(OC[C@H](O)CN[C@H]2CCS(=O)(=O)C2)cc1 ZINC000005868056 568454286 /nfs/dbraw/zinc/45/42/86/568454286.db2.gz JWZSDEGUKINEGK-VQTJNVASSA-N 0 3 403.544 2.529 50 0 HFAAHN Cc1n[nH]cc1CCCNC(=O)[C@@H](C)CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000095400399 568604894 /nfs/dbraw/zinc/60/48/94/568604894.db2.gz YEYGAUIDPCWDSX-ZDUSSCGKSA-N 0 3 406.914 2.617 50 0 HFAAHN COC[C@@H](O)CN1CCC(NC(=O)c2ccc(N(C)C3CCCCC3)cc2)CC1 ZINC000095445005 568611600 /nfs/dbraw/zinc/61/16/00/568611600.db2.gz JGBRFKUILIKJLX-QFIPXVFZSA-N 0 3 403.567 2.657 50 0 HFAAHN CN(CCCNC(=O)CCn1c(=O)c2cccn2c2cccnc21)Cc1ccccc1 ZINC000020512686 568621953 /nfs/dbraw/zinc/62/19/53/568621953.db2.gz YYTLAEGKERBULB-UHFFFAOYSA-N 0 3 417.513 2.678 50 0 HFAAHN CN(C)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526671 568709431 /nfs/dbraw/zinc/70/94/31/568709431.db2.gz YTGFYBYWAXVYOA-JOCHJYFZSA-N 0 3 400.523 2.849 50 0 HFAAHN COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)C1S(=O)(=O)c1ccc(C)cc1 ZINC000012437984 568723135 /nfs/dbraw/zinc/72/31/35/568723135.db2.gz ZTJMAPIREAQVAV-YFVAEKQCSA-N 0 3 401.484 2.900 50 0 HFAAHN CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21 ZINC000021702653 568741990 /nfs/dbraw/zinc/74/19/90/568741990.db2.gz YKMGYBRKVDITGP-UHFFFAOYSA-N 0 3 419.591 2.970 50 0 HFAAHN CN(C)[C@H](CNC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002634960 568791889 /nfs/dbraw/zinc/79/18/89/568791889.db2.gz OEMURBNEOQRKIT-QGZVFWFLSA-N 0 3 404.308 2.598 50 0 HFAAHN O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCCN1CCCCCC1 ZINC000003006280 568837279 /nfs/dbraw/zinc/83/72/79/568837279.db2.gz DISAQVYJAAUHIP-UHFFFAOYSA-N 0 3 402.926 2.946 50 0 HFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000012562759 568858839 /nfs/dbraw/zinc/85/88/39/568858839.db2.gz ZOPZNBBJXXJODP-PZJWPPBQSA-N 0 3 413.543 2.693 50 0 HFAAHN COc1ccc(OC)c(CN2CCC3(C[C@@H]3C(=O)NCCCn3ccnc3)CC2)c1 ZINC000299786072 568875598 /nfs/dbraw/zinc/87/55/98/568875598.db2.gz PBFRLLGTWBEBEV-HXUWFJFHSA-N 0 3 412.534 2.709 50 0 HFAAHN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299791774 568876039 /nfs/dbraw/zinc/87/60/39/568876039.db2.gz FTRFQHXPGRTBDK-GOSISDBHSA-N 0 3 421.969 2.963 50 0 HFAAHN NC(=O)c1csc(S(=O)(=O)NCC[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000670440181 568892039 /nfs/dbraw/zinc/89/20/39/568892039.db2.gz FXDSSDBKYLDRAR-QGZVFWFLSA-N 0 3 407.561 2.570 50 0 HFAAHN NC(=O)c1csc(S(=O)(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000670440180 568892099 /nfs/dbraw/zinc/89/20/99/568892099.db2.gz FXDSSDBKYLDRAR-KRWDZBQOSA-N 0 3 407.561 2.570 50 0 HFAAHN COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)N(C)C)cc1 ZINC000003534395 568913461 /nfs/dbraw/zinc/91/34/61/568913461.db2.gz TZZFYRUWFIKEAF-IFMALSPDSA-N 0 3 409.530 2.771 50 0 HFAAHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000012924788 569023629 /nfs/dbraw/zinc/02/36/29/569023629.db2.gz VPLBRAPRPOXSTP-INIZCTEOSA-N 0 3 401.532 2.811 50 0 HFAAHN CCC(CC)C(=O)N(CCN(C)C)Cc1cc(NC(=O)COC)ccc1N(C)C ZINC000006722972 569099912 /nfs/dbraw/zinc/09/99/12/569099912.db2.gz VKEUVCMQSXHBNU-UHFFFAOYSA-N 0 3 406.571 2.664 50 0 HFAAHN C[C@@H](C(=O)NCCN(C)Cc1ccccc1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839589 569105245 /nfs/dbraw/zinc/10/52/45/569105245.db2.gz VGHSNBSYLTUHAB-KRWDZBQOSA-N 0 3 417.513 2.697 50 0 HFAAHN Cc1ccc(-c2ccc(NCCN(C)C)nn2)cc1S(=O)(=O)N1CCCCC1 ZINC000065009246 569153438 /nfs/dbraw/zinc/15/34/38/569153438.db2.gz VFVTYGJRFORSIO-UHFFFAOYSA-N 0 3 403.552 2.600 50 0 HFAAHN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000036391211 569166321 /nfs/dbraw/zinc/16/63/21/569166321.db2.gz FETOAJUYUDCXHW-YADHBBJMSA-N 0 3 408.546 2.901 50 0 HFAAHN CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000036391213 569166330 /nfs/dbraw/zinc/16/63/30/569166330.db2.gz FETOAJUYUDCXHW-VXKWHMMOSA-N 0 3 408.546 2.901 50 0 HFAAHN COc1cccc(CN2CCc3c(cc(C(=O)NCCN4CCCCC4)n3C)C2)c1 ZINC000065211020 569196186 /nfs/dbraw/zinc/19/61/86/569196186.db2.gz XOEVUIDFKPQXCV-UHFFFAOYSA-N 0 3 410.562 2.808 50 0 HFAAHN CCCN1CCN(CCNc2nnc(-c3nc(C4CC4)no3)c3ccccc32)CC1 ZINC000065258315 569210197 /nfs/dbraw/zinc/21/01/97/569210197.db2.gz DRRXMSFHHZMXCG-UHFFFAOYSA-N 0 3 407.522 2.997 50 0 HFAAHN CC(C)Cn1c(=O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)nc2cccnc21 ZINC000065282827 569216387 /nfs/dbraw/zinc/21/63/87/569216387.db2.gz MUZOPZLOMREFGC-UHFFFAOYSA-N 0 3 419.529 2.842 50 0 HFAAHN Cc1cccc2nnc(N3CCC[C@H](C(=O)N4CCN(C5CCCCC5)CC4)C3)n21 ZINC000065312876 569222359 /nfs/dbraw/zinc/22/23/59/569222359.db2.gz GZRYWWRFKIXEKS-IBGZPJMESA-N 0 3 410.566 2.731 50 0 HFAAHN CN(C)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 ZINC000002442061 569400738 /nfs/dbraw/zinc/40/07/38/569400738.db2.gz ZUMVSVQFFLJYLK-GFCCVEGCSA-N 0 3 400.552 2.781 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000007960789 569420360 /nfs/dbraw/zinc/42/03/60/569420360.db2.gz UVDYXXVBHUZLOU-LJQANCHMSA-N 0 3 401.532 2.726 50 0 HFAAHN CCCN1CCN([C@H](C)CCCN(C(=O)CNC(=O)CCC(C)C)C2CC2)CC1 ZINC000078950831 569422104 /nfs/dbraw/zinc/42/21/04/569422104.db2.gz BWAZSNJYRTZHAD-HXUWFJFHSA-N 0 3 408.631 2.726 50 0 HFAAHN CN(C(=O)c1ccc(NS(=O)(=O)CCc2ccccc2)cc1)[C@H]1CCCN(C)C1 ZINC000079001541 569423462 /nfs/dbraw/zinc/42/34/62/569423462.db2.gz VQEGKMVDWHSJCL-NRFANRHFSA-N 0 3 415.559 2.837 50 0 HFAAHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc3c(c2)nnn3C)cc1 ZINC000079093431 569427130 /nfs/dbraw/zinc/42/71/30/569427130.db2.gz WKSGTEUBSPOSCV-HNNXBMFYSA-N 0 3 401.536 2.850 50 0 HFAAHN COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1 ZINC000040061779 571147382 /nfs/dbraw/zinc/14/73/82/571147382.db2.gz RIDNDPZMBGFXDV-UHFFFAOYSA-N 0 3 402.516 2.856 50 0 HFAAHN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC(C)(C)CC ZINC000009483028 571262123 /nfs/dbraw/zinc/26/21/23/571262123.db2.gz FDSPWROGOHTPOG-UHFFFAOYSA-N 0 3 411.568 2.977 50 0 HFAAHN NS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000010281972 571299290 /nfs/dbraw/zinc/29/92/90/571299290.db2.gz AQLSLLGXDMYZNQ-UHFFFAOYSA-N 0 3 415.559 2.569 50 0 HFAAHN CN1CCN(c2ccc(C(=O)N[C@H]3CCCN(Cc4ccccc4F)C3)cc2)CC1 ZINC000011820497 132351075 /nfs/dbraw/zinc/35/10/75/132351075.db2.gz RANQSXNRTFHOMZ-NRFANRHFSA-N 0 3 410.537 2.972 50 0 HFAAHN CCc1nccn1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3C)CC2)C1 ZINC000011819395 132351093 /nfs/dbraw/zinc/35/10/93/132351093.db2.gz UIIBOQCGONNDKW-OAQYLSRUSA-N 0 3 409.578 2.957 50 0 HFAAHN CCN1CCN(Cc2ccc(CNC(=O)C[C@H](C)NC(=O)c3ccccc3)cc2)CC1 ZINC000032932417 521687507 /nfs/dbraw/zinc/68/75/07/521687507.db2.gz NJKWOGOLWHZPDL-FQEVSTJZSA-N 0 3 422.573 2.649 50 0 HFAAHN Cc1ccc2nnc(-c3ccccc3)c(C(=O)NCCCN3CCN(C)CC3)c2c1 ZINC000032953369 524086164 /nfs/dbraw/zinc/08/61/64/524086164.db2.gz ZIQGHRPKEFJWOW-UHFFFAOYSA-N 0 3 403.530 2.973 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(NC(=O)N2CCOCC2)cc1 ZINC000040268207 527530910 /nfs/dbraw/zinc/53/09/10/527530910.db2.gz WYRQVYLPUADWTC-UHFFFAOYSA-N 0 3 422.529 2.945 50 0 HFAAHN COc1cc(CNCCO)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000002861721 557410280 /nfs/dbraw/zinc/41/02/80/557410280.db2.gz QLJHMUHQQSCXHS-UHFFFAOYSA-N 0 3 409.280 2.557 50 0 HFAAHN CCN1C[C@H](CN(C)C[C@H](O)COCc2ccccc2OC)Oc2ccccc21 ZINC000034884236 557479649 /nfs/dbraw/zinc/47/96/49/557479649.db2.gz YEQGQCMFKSOJFV-PMACEKPBSA-N 0 3 400.519 2.792 50 0 HFAAHN COc1cccc(CN2C[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)CC2=O)c1 ZINC000034916778 557482766 /nfs/dbraw/zinc/48/27/66/557482766.db2.gz SLUCHURXDZRNRT-NRFANRHFSA-N 0 3 421.541 2.825 50 0 HFAAHN COc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4cc(OC)cc(OC)c4)C3=O)c2c1 ZINC000004744814 557591642 /nfs/dbraw/zinc/59/16/42/557591642.db2.gz DIUKIFIMAAJMSG-NRFANRHFSA-N 0 3 423.469 2.658 50 0 HFAAHN Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N1CCN2CCC[C@@H]2C1 ZINC000002777633 557761129 /nfs/dbraw/zinc/76/11/29/557761129.db2.gz DQDRMGNXMWVQSW-LLVKDONJSA-N 0 3 409.250 2.670 50 0 HFAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC(Oc2ccccc2F)CC1 ZINC000011873300 558290971 /nfs/dbraw/zinc/29/09/71/558290971.db2.gz VEQXZHZNYNDRNJ-UHFFFAOYSA-N 0 3 401.486 2.587 50 0 HFAAHN COC(=O)C1CCN(C[C@H](O)COc2cccc(CNCc3ccccc3)c2)CC1 ZINC000011879366 558293866 /nfs/dbraw/zinc/29/38/66/558293866.db2.gz VNSOZHZYBIMMQN-QFIPXVFZSA-N 0 3 412.530 2.601 50 0 HFAAHN O=C(c1nc2sccn2c1CNCCCN1CCCC1=O)N1CCCCCCC1 ZINC000011935979 558300028 /nfs/dbraw/zinc/30/00/28/558300028.db2.gz LIWCVSQCFLHMGA-UHFFFAOYSA-N 0 3 417.579 2.904 50 0 HFAAHN Cc1c(C(=O)NC[C@@H]2CCCN(C)C2)cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000012133026 558333290 /nfs/dbraw/zinc/33/32/90/558333290.db2.gz CTKUBTIPQGJRLN-KRWDZBQOSA-N 0 3 416.529 2.808 50 0 HFAAHN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cc3ccccc3s1)CC2 ZINC000012158592 558341136 /nfs/dbraw/zinc/34/11/36/558341136.db2.gz UNDQUIIHOURTIB-HNNXBMFYSA-N 0 3 413.547 2.765 50 0 HFAAHN COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)CN2CCCCC2)CCO3)C1 ZINC000012162059 558342017 /nfs/dbraw/zinc/34/20/17/558342017.db2.gz QFZMVJIPHFJTFP-NRFANRHFSA-N 0 3 415.578 2.752 50 0 HFAAHN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1cccc3ncccc13)CC2 ZINC000020202855 558345971 /nfs/dbraw/zinc/34/59/71/558345971.db2.gz UHBVMLFFMFAQNI-MRXNPFEDSA-N 0 3 416.485 2.969 50 0 HFAAHN CC(C)=CCC[C@H](C)CN1CCc2nnc(CCNC(=O)c3cccnc3)n2CC1 ZINC000012245617 558361444 /nfs/dbraw/zinc/36/14/44/558361444.db2.gz UDOUZIZIPVYVDW-IBGZPJMESA-N 0 3 410.566 2.886 50 0 HFAAHN O=C(c1nc2ccc(Cl)cn2c1CNC[C@H]1COCCO1)N1CCCCCCC1 ZINC000012299975 558369792 /nfs/dbraw/zinc/36/97/92/558369792.db2.gz HEJDAJVJNLMUEN-KRWDZBQOSA-N 0 3 420.941 2.899 50 0 HFAAHN Cn1cc(CN2CCC([C@H](O)c3nccn3C)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012301570 558371266 /nfs/dbraw/zinc/37/12/66/558371266.db2.gz SMNPHYFNAFAMCL-QFIPXVFZSA-N 0 3 423.517 2.537 50 0 HFAAHN COc1ccc(C(=O)NCc2cc(C)n(C)n2)cc1OC1CCN(C(C)C)CC1 ZINC000012302972 558372678 /nfs/dbraw/zinc/37/26/78/558372678.db2.gz GJPFZJGHXVFJQY-UHFFFAOYSA-N 0 3 400.523 2.919 50 0 HFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCN1CCCC1=O ZINC000012304097 558373423 /nfs/dbraw/zinc/37/34/23/558373423.db2.gz DNEXSHTYGNPOBR-HXUWFJFHSA-N 0 3 403.542 2.941 50 0 HFAAHN COC(=O)CC[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000020776371 558412039 /nfs/dbraw/zinc/41/20/39/558412039.db2.gz FQHQRXFDIJMBFS-OXJNMPFZSA-N 0 3 411.949 2.870 50 0 HFAAHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000012802479 558472288 /nfs/dbraw/zinc/47/22/88/558472288.db2.gz SOEGCMCROZDEGL-UHFFFAOYSA-N 0 3 402.516 2.922 50 0 HFAAHN CCc1ccc([C@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)N(C)C)cc1 ZINC000022798745 558512490 /nfs/dbraw/zinc/51/24/90/558512490.db2.gz BXKLJFVCDJZMLG-UNMCSNQZSA-N 0 3 418.607 2.814 50 0 HFAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2ccccc2)CN1Cc1ccccc1Cl ZINC000022915883 558521452 /nfs/dbraw/zinc/52/14/52/558521452.db2.gz IULSMXQWBQTVCS-CTNGQTDRSA-N 0 3 401.938 2.835 50 0 HFAAHN CN(C)CCNC(=O)COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1 ZINC000013729701 558585884 /nfs/dbraw/zinc/58/58/84/558585884.db2.gz KOCGZPZIJTYGSH-UHFFFAOYSA-N 0 3 402.397 2.795 50 0 HFAAHN Cn1nc(C(=O)NCc2ccncc2)c2c1CC[C@@H](NCc1cc(F)ccc1F)C2 ZINC000014747058 558669534 /nfs/dbraw/zinc/66/95/34/558669534.db2.gz YSEJIRROXLIJCW-QGZVFWFLSA-N 0 3 411.456 2.670 50 0 HFAAHN CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N(C)Cc1ccco1)C2 ZINC000014749999 558670701 /nfs/dbraw/zinc/67/07/01/558670701.db2.gz HDKHKYXASQKAGU-KRWDZBQOSA-N 0 3 400.523 2.594 50 0 HFAAHN COc1ccccc1CN1C[C@H](C(=O)N2CCN(C3CCCCC3)CC2)CCC1=O ZINC000015061509 558704784 /nfs/dbraw/zinc/70/47/84/558704784.db2.gz RUDVHOGVQUCTLT-HXUWFJFHSA-N 0 3 413.562 2.911 50 0 HFAAHN CCc1[nH]nc(C(=O)N2CCC(CCC(=O)NC[C@@H]3CCCN3CC)CC2)c1C ZINC000015078583 558717600 /nfs/dbraw/zinc/71/76/00/558717600.db2.gz LPBRKBUNONUPNA-SFHVURJKSA-N 0 3 403.571 2.513 50 0 HFAAHN CCc1[nH]nc(C(=O)N2CCC(CCC(=O)NC[C@H]3CCCN3CC)CC2)c1C ZINC000015078581 558717693 /nfs/dbraw/zinc/71/76/93/558717693.db2.gz LPBRKBUNONUPNA-GOSISDBHSA-N 0 3 403.571 2.513 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@@H]1CCCN(c2nc3ncccc3n3cccc23)C1 ZINC000033018823 558834749 /nfs/dbraw/zinc/83/47/49/558834749.db2.gz DWCGKGBTYMZXMA-GOSISDBHSA-N 0 3 406.534 2.701 50 0 HFAAHN C[C@H]1CN(c2ccc(CNCc3c[nH]nc3-c3ccc4c(c3)OCCO4)cn2)CCO1 ZINC000071947102 558834921 /nfs/dbraw/zinc/83/49/21/558834921.db2.gz KAGOYPFOCOAUCL-INIZCTEOSA-N 0 3 421.501 2.758 50 0 HFAAHN CN1CCCN(c2ccc(NC(=O)NCc3ccnc(-n4cccn4)c3)cc2F)CC1 ZINC000058214544 558912319 /nfs/dbraw/zinc/91/23/19/558912319.db2.gz VTBJBRHNEKFKEP-UHFFFAOYSA-N 0 3 423.496 2.870 50 0 HFAAHN CN(C)CCNC(=O)c1cccc(CNC(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000058309079 558918725 /nfs/dbraw/zinc/91/87/25/558918725.db2.gz OMTNNPKNSLTWBW-UHFFFAOYSA-N 0 3 406.433 2.901 50 0 HFAAHN O=C(CN1CCSc2ccccc21)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000033059136 558943393 /nfs/dbraw/zinc/94/33/93/558943393.db2.gz LBUSVIZHLQYFKV-UHFFFAOYSA-N 0 3 424.614 2.923 50 0 HFAAHN CCNc1cc(N2CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)nc(C)n1 ZINC000065364151 558975191 /nfs/dbraw/zinc/97/51/91/558975191.db2.gz SASZUENPVYPEJB-UHFFFAOYSA-N 0 3 400.483 2.588 50 0 HFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c(C)c1 ZINC000067601869 558987574 /nfs/dbraw/zinc/98/75/74/558987574.db2.gz VKGGGGSNSKYFME-UHFFFAOYSA-N 0 3 410.522 2.593 50 0 HFAAHN COc1ccc(OC)c(NC(=O)C(=O)NCC2CCN(Cc3cccs3)CC2)c1 ZINC000023127508 559015883 /nfs/dbraw/zinc/01/58/83/559015883.db2.gz VEDKRSUYWHYZOT-UHFFFAOYSA-N 0 3 417.531 2.732 50 0 HFAAHN CN(C)CCn1cc(NC(=O)c2cc3cc(I)ccc3[nH]2)cn1 ZINC000089319379 559065116 /nfs/dbraw/zinc/06/51/16/559065116.db2.gz LLWHPPFOSUNPTI-UHFFFAOYSA-N 0 3 423.258 2.783 50 0 HFAAHN COc1ccc(/C=C/CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cc1 ZINC000095520640 559085144 /nfs/dbraw/zinc/08/51/44/559085144.db2.gz OQXVPPHYPWZGJB-HMGUJAMWSA-N 0 3 401.551 2.511 50 0 HFAAHN COc1ccc(/C=C/C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cc1 ZINC000095520640 559085146 /nfs/dbraw/zinc/08/51/46/559085146.db2.gz OQXVPPHYPWZGJB-HMGUJAMWSA-N 0 3 401.551 2.511 50 0 HFAAHN COc1ccc(/C=C/C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)cc1 ZINC000095520640 559085147 /nfs/dbraw/zinc/08/51/47/559085147.db2.gz OQXVPPHYPWZGJB-HMGUJAMWSA-N 0 3 401.551 2.511 50 0 HFAAHN Cc1cc(C)c(-c2cc(C(=O)N3CCC[C@H](C(=O)NCCN(C)C)C3)no2)c(C)c1 ZINC000096210826 559101491 /nfs/dbraw/zinc/10/14/91/559101491.db2.gz BXKKNQHAOPCBLB-SFHVURJKSA-N 0 3 412.534 2.797 50 0 HFAAHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000050612290 559188673 /nfs/dbraw/zinc/18/86/73/559188673.db2.gz CSAHGKVEVDUFIQ-INIZCTEOSA-N 0 3 403.523 2.722 50 0 HFAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000011816909 559260300 /nfs/dbraw/zinc/26/03/00/559260300.db2.gz BGGNVEFAJWGBKQ-KRWDZBQOSA-N 0 3 408.506 2.925 50 0 HFAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2ccc(F)c(F)c2)c2c1CCCC2 ZINC000005254513 560552124 /nfs/dbraw/zinc/55/21/24/560552124.db2.gz SJQTZGPUWMNUQO-UHFFFAOYSA-N 0 3 422.501 2.693 50 0 HFAAHN C[C@H]1CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCO1 ZINC000008728705 560638027 /nfs/dbraw/zinc/63/80/27/560638027.db2.gz DPPXTJKGHFDFFN-FQEVSTJZSA-N 0 3 408.546 2.668 50 0 HFAAHN O=c1c(CN2CCN(c3cccc(Cl)c3)CC2)coc([O-])c1C[NH+]1CCCC1 ZINC000101407869 560794354 /nfs/dbraw/zinc/79/43/54/560794354.db2.gz NKLNQOVWDOCDKU-UHFFFAOYSA-N 0 3 403.910 2.917 50 0 HFAAHN CS(=O)(=O)Nc1ccc(/C=C\C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000104210165 560849925 /nfs/dbraw/zinc/84/99/25/560849925.db2.gz UYULHYOIAZNEKC-SZRHCGQDSA-N 0 3 413.543 2.852 50 0 HFAAHN CN1CCN(Cc2ccc(CNC(=O)CCc3nnc(-c4ccccc4)o3)cc2)CC1 ZINC000047255267 560885613 /nfs/dbraw/zinc/88/56/13/560885613.db2.gz DLLANBWIQYMHAD-UHFFFAOYSA-N 0 3 419.529 2.733 50 0 HFAAHN Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CCN(CC1CC1)C2 ZINC000106870729 560894010 /nfs/dbraw/zinc/89/40/10/560894010.db2.gz BOEQXJRTKLBDRR-HOTGVXAUSA-N 0 3 409.534 2.593 50 0 HFAAHN Cc1cccc(CN2CCC(NC(=O)Cn3cc(Br)ccc3=O)CC2)c1 ZINC000048300084 568437336 /nfs/dbraw/zinc/43/73/36/568437336.db2.gz MBYOKWVULKXTKO-UHFFFAOYSA-N 0 3 418.335 2.700 50 0 HFAAHN CCOc1cc(C(=O)N(C)C[C@@H](O)CN2CCc3ccccc3CC2)ccc1OC ZINC000095446569 568612063 /nfs/dbraw/zinc/61/20/63/568612063.db2.gz SZCCVEYXGFOPIX-OAQYLSRUSA-N 0 3 412.530 2.628 50 0 HFAAHN C[C@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CCN1C1CCN(C)CC1 ZINC000095455889 568617476 /nfs/dbraw/zinc/61/74/76/568617476.db2.gz ZXZFNCDKTBRMMN-SFHVURJKSA-N 0 3 424.545 2.797 50 0 HFAAHN CN1CCN(C)c2cc(NC(=O)C[C@@H]3CN(Cc4ccccc4)CCO3)ccc2C1 ZINC000095464822 568622716 /nfs/dbraw/zinc/62/27/16/568622716.db2.gz CLCVKFZGVHPEOX-JOCHJYFZSA-N 0 3 408.546 2.798 50 0 HFAAHN COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)CNC1CC1 ZINC000005914818 568829373 /nfs/dbraw/zinc/82/93/73/568829373.db2.gz BDOHMSUREKOZLD-UHFFFAOYSA-N 0 3 419.528 2.956 50 0 HFAAHN CN(C)CCNC(=O)c1cc(Cl)cn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000003041669 568847964 /nfs/dbraw/zinc/84/79/64/568847964.db2.gz DRBVMLRBSUZNOH-UHFFFAOYSA-N 0 3 401.816 2.860 50 0 HFAAHN CC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H](CC)CN1CC(C)(C)O ZINC000230288687 568857675 /nfs/dbraw/zinc/85/76/75/568857675.db2.gz NLYBRWCUVSFPIP-GJZGRUSLSA-N 0 3 410.946 2.917 50 0 HFAAHN COC(=O)c1cn(C[C@@H](c2ccc(Cl)cc2)N2CCCC2)cc2c(=O)[nH]nc1-2 ZINC000263587845 568883267 /nfs/dbraw/zinc/88/32/67/568883267.db2.gz LXLBXTDHXSYSRR-KRWDZBQOSA-N 0 3 400.866 2.953 50 0 HFAAHN COC(=O)c1ccc(C(=O)N(C)CC2CCN(C[C@H](O)c3ccccc3)CC2)cc1 ZINC000083859194 568921485 /nfs/dbraw/zinc/92/14/85/568921485.db2.gz KFZRUADEHLFRSG-QFIPXVFZSA-N 0 3 410.514 2.991 50 0 HFAAHN COc1cc(NC(=O)C2=C(C)OCCS2)c(Cl)cc1C(=O)NCCN(C)C ZINC000012730286 568922602 /nfs/dbraw/zinc/92/26/02/568922602.db2.gz LZIZMCUGBWUQKL-UHFFFAOYSA-N 0 3 413.927 2.573 50 0 HFAAHN CCN(CC)[C@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1cccc(OC)c1 ZINC000012751271 568940587 /nfs/dbraw/zinc/94/05/87/568940587.db2.gz KOIZRBIYMJXOSK-HXUWFJFHSA-N 0 3 409.486 2.734 50 0 HFAAHN O=C(COc1ccc(-n2cnnn2)cc1)NC[C@H](c1ccccc1)N1CCCCCC1 ZINC000670465124 568968765 /nfs/dbraw/zinc/96/87/65/568968765.db2.gz XFEXXKFGCQSPCE-JOCHJYFZSA-N 0 3 420.517 2.775 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)CCNC(=O)c3ccccc3OC)cc2)CC1 ZINC000008194184 568982053 /nfs/dbraw/zinc/98/20/53/568982053.db2.gz YYTJPJGGXVNKFE-UHFFFAOYSA-N 0 3 410.518 2.596 50 0 HFAAHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 ZINC000090593637 569041598 /nfs/dbraw/zinc/04/15/98/569041598.db2.gz PNJDALFXKAIMQJ-ASSNKEHSSA-N 0 3 421.409 2.951 50 0 HFAAHN CS[C@@H]1CN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C[C@H]1N(C)C ZINC000089314137 569058432 /nfs/dbraw/zinc/05/84/32/569058432.db2.gz PCKJRJTWFDURHN-SJLPKXTDSA-N 0 3 403.573 2.796 50 0 HFAAHN O[C@H](COCc1ccccc1)CN(CCN1CCOCC1)Cc1ccc(F)cc1 ZINC000036102444 569091921 /nfs/dbraw/zinc/09/19/21/569091921.db2.gz QKILSBUAJUJTBE-QHCPKHFHSA-N 0 3 402.510 2.538 50 0 HFAAHN CC1CCC2(CC1)OC[C@H](C(=O)NCCN(C)C)N2C(=O)c1ccc(Cl)cc1 ZINC000006833456 569148385 /nfs/dbraw/zinc/14/83/85/569148385.db2.gz LRYROLQEWBBYEB-BPVAQJAMSA-N 0 3 407.942 2.765 50 0 HFAAHN O=C([C@H]1CCCN(c2cnc3nccnc3c2)C1)N1CCN(C2CCCCC2)CC1 ZINC000065227104 569200259 /nfs/dbraw/zinc/20/02/59/569200259.db2.gz UHYDDRCQHDDOGW-SFHVURJKSA-N 0 3 408.550 2.718 50 0 HFAAHN O=C(COc1ccc(NC(=O)C2CC2)cn1)NC1CCN(Cc2ccccc2)CC1 ZINC000065245687 569205300 /nfs/dbraw/zinc/20/53/00/569205300.db2.gz CEDXBKMCRIJXEK-UHFFFAOYSA-N 0 3 408.502 2.590 50 0 HFAAHN Cc1nn(C)c(C)c1CNC(=O)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255847 569208135 /nfs/dbraw/zinc/20/81/35/569208135.db2.gz JLPIZEMVPPFLHJ-OAQYLSRUSA-N 0 3 404.518 2.513 50 0 HFAAHN CC[C@@H]1CN(C(=O)Nc2ccc(-n3nccn3)cc2)[C@H](CC)CN1CC(C)(C)O ZINC000170619526 569248294 /nfs/dbraw/zinc/24/82/94/569248294.db2.gz PJCJLBWSTCSOOH-QZTJIDSGSA-N 0 3 400.527 2.745 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252498839 569291035 /nfs/dbraw/zinc/29/10/35/569291035.db2.gz RNEWONJCLMSXPD-PKOBYXMFSA-N 0 3 408.502 2.850 50 0 HFAAHN O=C(C1CCCC1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819815 569320906 /nfs/dbraw/zinc/32/09/06/569320906.db2.gz MPKVEMIXVIMPFK-OAQYLSRUSA-N 0 3 412.578 2.934 50 0 HFAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)c4cccnc4)CC3)C2)CC1 ZINC000581819837 569320941 /nfs/dbraw/zinc/32/09/41/569320941.db2.gz NVUZSKTYSDFLGR-OAQYLSRUSA-N 0 3 400.567 2.509 50 0 HFAAHN COc1ccc([C@H](CNC(=O)CN2CCOc3ccc(Cl)cc32)N(C)C)cc1 ZINC000078902839 569421566 /nfs/dbraw/zinc/42/15/66/569421566.db2.gz BXXJZVRZBOXXNH-IBGZPJMESA-N 0 3 403.910 2.967 50 0 HFAAHN CCN(CC)[C@H](CNC(=O)CCn1cnc2ccccc2c1=O)c1cccc(OC)c1 ZINC000040046943 571143014 /nfs/dbraw/zinc/14/30/14/571143014.db2.gz RZBUKLCWSUXZDY-JOCHJYFZSA-N 0 3 422.529 2.995 50 0 HFAAHN O=C(CSc1nnnn1C1CCCC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000040087098 571157645 /nfs/dbraw/zinc/15/76/45/571157645.db2.gz AOXOHGMJKVLPBK-GOSISDBHSA-N 0 3 400.552 2.834 50 0 HFAAHN Cc1cccc(NC(=O)C2CCN(CCCc3nnnn3-c3ccccc3)CC2)n1 ZINC000040154625 571201791 /nfs/dbraw/zinc/20/17/91/571201791.db2.gz SWVZTMOJKIVOLH-UHFFFAOYSA-N 0 3 405.506 2.649 50 0 HFAAHN COCCN1CCc2c(cccc2-n2nnc(C(=O)NCC3CCCCC3)c2C)C1 ZINC000069948501 571250865 /nfs/dbraw/zinc/25/08/65/571250865.db2.gz FQGUICASKRBSNE-UHFFFAOYSA-N 0 3 411.550 2.890 50 0 HFAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000010282189 571299347 /nfs/dbraw/zinc/29/93/47/571299347.db2.gz XGUMWFDRJXNTBM-UHFFFAOYSA-N 0 3 420.513 2.654 50 0 HFAAHN O=C(CCN1C(=O)COc2ccccc21)NCCN1CCC(Cc2ccccc2)CC1 ZINC000004687617 132283421 /nfs/dbraw/zinc/28/34/21/132283421.db2.gz ZYKILMARIYMTPB-UHFFFAOYSA-N 0 3 421.541 2.873 50 0 HFAAHN Cc1cccc(CNC2CCN(c3ccc(C(=O)N4CCC[C@H](O)C4)cc3)CC2)n1 ZINC000011912409 132352263 /nfs/dbraw/zinc/35/22/63/132352263.db2.gz QNJJQKUCFNMVSR-QHCPKHFHSA-N 0 3 408.546 2.746 50 0 HFAAHN CN1CCN(c2ccc(C(=O)N[C@H]3CCCN(C4Cc5ccccc5C4)C3)cc2)CC1 ZINC000012437549 132359932 /nfs/dbraw/zinc/35/99/32/132359932.db2.gz GBFZFUHGTVCVGS-QHCPKHFHSA-N 0 3 418.585 2.800 50 0 HFAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3ccc(OC)c(COC)c3)C2)CC1 ZINC000020600574 520960078 /nfs/dbraw/zinc/96/00/78/520960078.db2.gz YXUCNTVWBFPXCK-HXUWFJFHSA-N 0 3 405.539 2.580 50 0 HFAAHN CN1CCN(CCCNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)CC1 ZINC000040451191 523898614 /nfs/dbraw/zinc/89/86/14/523898614.db2.gz ZENDSWBRZPVXJL-UHFFFAOYSA-N 0 3 410.493 2.925 50 0 HFAAHN CCN(CC)CCn1c2ccccc2n(C[C@H](O)COc2ccc(OC)cc2)c1=N ZINC000000789761 557081072 /nfs/dbraw/zinc/08/10/72/557081072.db2.gz WXRNCFBNFDNYST-SFHVURJKSA-N 0 3 412.534 2.713 50 0 HFAAHN Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CCN(CC1CC1)C2 ZINC000071890453 557315477 /nfs/dbraw/zinc/31/54/77/557315477.db2.gz BOEQXJRTKLBDRR-HZPDHXFCSA-N 0 3 409.534 2.593 50 0 HFAAHN CN(C)CCN(C[C@@H]1CN(Cc2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691929 557371951 /nfs/dbraw/zinc/37/19/51/557371951.db2.gz VXYOTOZJAQZNIC-QFIPXVFZSA-N 0 3 417.500 2.870 50 0 HFAAHN O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCC(N2CCSCC2)CC1 ZINC000011663027 558266721 /nfs/dbraw/zinc/26/67/21/558266721.db2.gz NZQPAMUMTOWJMH-UHFFFAOYSA-N 0 3 405.955 2.633 50 0 HFAAHN C[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)C1 ZINC000011788298 558276708 /nfs/dbraw/zinc/27/67/08/558276708.db2.gz YHLKFHMELWFJJK-OPAMFIHVSA-N 0 3 419.953 2.547 50 0 HFAAHN C[C@@H](CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1)c1ccccc1 ZINC000011813099 558277676 /nfs/dbraw/zinc/27/76/76/558277676.db2.gz JGUKSTIKOZPTIO-SFHVURJKSA-N 0 3 421.520 2.938 50 0 HFAAHN Cc1nn(CC(=O)N2CCC[C@@H](N(C)Cc3ccccc3)C2)c(=O)c2ccccc12 ZINC000011816456 558279848 /nfs/dbraw/zinc/27/98/48/558279848.db2.gz HDJJXFOUSBBPPG-HXUWFJFHSA-N 0 3 404.514 2.828 50 0 HFAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1csnn1 ZINC000011844574 558289315 /nfs/dbraw/zinc/28/93/15/558289315.db2.gz MTJDEDQJMVXVPQ-MRXNPFEDSA-N 0 3 405.543 2.593 50 0 HFAAHN COc1cccc(C(=O)NC[C@H]2CCCN(Cc3cccc4nonc43)C2)c1OC ZINC000011878161 558292426 /nfs/dbraw/zinc/29/24/26/558292426.db2.gz DPHYSPONRSCZAQ-OAHLLOKOSA-N 0 3 410.474 2.882 50 0 HFAAHN CCOc1ccc(N2C(=O)C[C@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000019889610 558302473 /nfs/dbraw/zinc/30/24/73/558302473.db2.gz MXDUXOYMQRHQOL-QFIPXVFZSA-N 0 3 407.514 2.971 50 0 HFAAHN Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cccc(C)c2)CC3)cc1 ZINC000012020844 558309470 /nfs/dbraw/zinc/30/94/70/558309470.db2.gz BDGTYQBIUHLDSW-UHFFFAOYSA-N 0 3 403.530 2.926 50 0 HFAAHN COc1cc(CN2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cnsn1 ZINC000012036748 558311947 /nfs/dbraw/zinc/31/19/47/558311947.db2.gz ITOHZAIVFXSSJE-OAHLLOKOSA-N 0 3 404.536 2.978 50 0 HFAAHN COC(=O)[C@@H](NC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1)C(C)C ZINC000012073846 558318705 /nfs/dbraw/zinc/31/87/05/558318705.db2.gz MLNSIHYLVNVTGM-FQEVSTJZSA-N 0 3 406.523 2.874 50 0 HFAAHN Cc1c(C(=O)N(C)C2CCN(C)CC2)sc2ncnc(NC[C@@H]3CCCO3)c12 ZINC000012079876 558320549 /nfs/dbraw/zinc/32/05/49/558320549.db2.gz JLMGUCMMNQEZOL-HNNXBMFYSA-N 0 3 403.552 2.757 50 0 HFAAHN CC(C)[C@H](NC(=O)[C@@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2 ZINC000012162026 558342100 /nfs/dbraw/zinc/34/21/00/558342100.db2.gz IFECHVVGWVEMHH-QUCCMNQESA-N 0 3 403.571 2.566 50 0 HFAAHN CN(C)CCn1ccc(-c2cccc(-c3ccc(C(=O)N4CCOCC4)cn3)c2)n1 ZINC000020201901 558346013 /nfs/dbraw/zinc/34/60/13/558346013.db2.gz XLEFZEWIIPXFKA-UHFFFAOYSA-N 0 3 405.502 2.646 50 0 HFAAHN CN(C)CCN1C(=O)C[C@@](CC(=O)N2CCCCCCC2)(c2cccc(F)c2)C1=O ZINC000012205592 558352547 /nfs/dbraw/zinc/35/25/47/558352547.db2.gz OAZIWMPUHWRPKS-QHCPKHFHSA-N 0 3 417.525 2.567 50 0 HFAAHN Cc1ccc(-c2ccnc(-n3ncc(C(=O)N4CC[C@@H](N(C)C)C4)c3C3CC3)n2)o1 ZINC000012278997 558364910 /nfs/dbraw/zinc/36/49/10/558364910.db2.gz DUDAIWODOQPWTO-MRXNPFEDSA-N 0 3 406.490 2.884 50 0 HFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2n[nH]c3ccccc32)CC1 ZINC000012317423 558380764 /nfs/dbraw/zinc/38/07/64/558380764.db2.gz KCOMGKJJAAFYGQ-GOSISDBHSA-N 0 3 400.523 2.543 50 0 HFAAHN CCn1cc(CN2CCC[C@H](CNC(=O)COc3ccccc3OC)C2)c(C)n1 ZINC000012440502 558411753 /nfs/dbraw/zinc/41/17/53/558411753.db2.gz PUDMUVNABBAMEZ-GOSISDBHSA-N 0 3 400.523 2.627 50 0 HFAAHN COc1ccc(-c2nn(-c3ccccc3F)cc2CNCCN2CCNC2=O)cc1 ZINC000012471543 558422040 /nfs/dbraw/zinc/42/20/40/558422040.db2.gz ISKUFEDAGZHGFR-UHFFFAOYSA-N 0 3 409.465 2.802 50 0 HFAAHN COc1cc(OC)c(OC)cc1CN1CCC(CCC(=O)NC[C@H]2CCCO2)CC1 ZINC000012594039 558436844 /nfs/dbraw/zinc/43/68/44/558436844.db2.gz RJHZMVVTMMFTPF-LJQANCHMSA-N 0 3 420.550 3.000 50 0 HFAAHN O=C(CN1CCOc2ccccc2C1)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012594459 558437099 /nfs/dbraw/zinc/43/70/99/558437099.db2.gz LYVXVNSNJQHPLD-JOCHJYFZSA-N 0 3 405.542 2.629 50 0 HFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2ccccc2OC)CC1 ZINC000012709772 558451892 /nfs/dbraw/zinc/45/18/92/558451892.db2.gz DWCZVDHZOBETRD-OAQYLSRUSA-N 0 3 404.551 2.604 50 0 HFAAHN COc1ccc(F)c(CN2CCC[C@]3(CCN(Cc4cnn(C)c4C)C3)C2=O)c1 ZINC000012714030 558454112 /nfs/dbraw/zinc/45/41/12/558454112.db2.gz MUSBZDLDXRUCGU-JOCHJYFZSA-N 0 3 400.498 2.891 50 0 HFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C1=NN(C)C(=O)CC1 ZINC000012719087 558456467 /nfs/dbraw/zinc/45/64/67/558456467.db2.gz ZTWGTTUOYWAKRO-GOSISDBHSA-N 0 3 402.514 2.537 50 0 HFAAHN CCN1CCN(CCNC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)CC1 ZINC000022936538 558673021 /nfs/dbraw/zinc/67/30/21/558673021.db2.gz DKMXGQBNPCGVSV-UHFFFAOYSA-N 0 3 420.561 2.647 50 0 HFAAHN CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(OC)c(Cn3cncn3)c2)C1 ZINC000014956299 558682463 /nfs/dbraw/zinc/68/24/63/558682463.db2.gz FODVKBUECMNSQD-QFIPXVFZSA-N 0 3 416.522 2.517 50 0 HFAAHN C[C@H](NC1CCN(c2ccc(C(=O)N3CCOCC3)cc2)CC1)c1nccs1 ZINC000014981558 558691898 /nfs/dbraw/zinc/69/18/98/558691898.db2.gz KSMIBZBPDNSHIQ-INIZCTEOSA-N 0 3 400.548 2.935 50 0 HFAAHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCN(c2ncccn2)CC1 ZINC000072289637 558722205 /nfs/dbraw/zinc/72/22/05/558722205.db2.gz NEFNIJUHKDNLHM-NRFANRHFSA-N 0 3 422.577 2.781 50 0 HFAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)n2c3ccccc3nc21 ZINC000030937502 558744685 /nfs/dbraw/zinc/74/46/85/558744685.db2.gz CAMFSFWKHKRFGN-LJQANCHMSA-N 0 3 408.458 2.998 50 0 HFAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000015671251 558748329 /nfs/dbraw/zinc/74/83/29/558748329.db2.gz CAQYMASKQPFBNX-UHFFFAOYSA-N 0 3 421.954 2.550 50 0 HFAAHN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000015671249 558748376 /nfs/dbraw/zinc/74/83/76/558748376.db2.gz ONSSHDSXCKCYKB-UHFFFAOYSA-N 0 3 415.563 2.513 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)n3)CC2)cc1 ZINC000015671277 558748471 /nfs/dbraw/zinc/74/84/71/558748471.db2.gz QBIPTVWHPLUKQX-UHFFFAOYSA-N 0 3 415.563 2.595 50 0 HFAAHN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCN3CCCC3)s2)cc1 ZINC000032987098 558807059 /nfs/dbraw/zinc/80/70/59/558807059.db2.gz MWUQXINLZRAJOH-UHFFFAOYSA-N 0 3 419.576 2.544 50 0 HFAAHN CC(C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000071957198 558847419 /nfs/dbraw/zinc/84/74/19/558847419.db2.gz SPEKDUVULOSRPX-HZMBPMFUSA-N 0 3 407.319 2.746 50 0 HFAAHN COCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CCCC[C@H]3C)c2)s1 ZINC000033027598 558850694 /nfs/dbraw/zinc/85/06/94/558850694.db2.gz KRBVOKIRCMNSAZ-CQSZACIVSA-N 0 3 417.535 2.541 50 0 HFAAHN COC(=O)c1ccc(C)c(NC(=O)NCc2ccc(N3CCCN(C)CC3)nc2)c1 ZINC000058407159 558924889 /nfs/dbraw/zinc/92/48/89/558924889.db2.gz JWWGGOFLHHYHOB-UHFFFAOYSA-N 0 3 411.506 2.640 50 0 HFAAHN CN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000060859459 558943812 /nfs/dbraw/zinc/94/38/12/558943812.db2.gz XWYKWOXBQAWXGS-UHFFFAOYSA-N 0 3 413.971 2.729 50 0 HFAAHN O=C(CCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCN1CCCCCC1 ZINC000033061958 558955661 /nfs/dbraw/zinc/95/56/61/558955661.db2.gz FGYMLJIYWVCNDI-UHFFFAOYSA-N 0 3 419.526 2.854 50 0 HFAAHN CN1CCC(Oc2ccc(NC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000065364084 558975181 /nfs/dbraw/zinc/97/51/81/558975181.db2.gz GZIJFZRVIIUOQV-UHFFFAOYSA-N 0 3 417.531 2.564 50 0 HFAAHN Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NC3CCN(C)CC3)c2)cc1 ZINC000067338921 558986211 /nfs/dbraw/zinc/98/62/11/558986211.db2.gz UTZZJEAETFURND-UHFFFAOYSA-N 0 3 401.532 2.644 50 0 HFAAHN COc1ccccc1N1CCN(c2ncccc2CN[C@@H](C)Cn2ccnc2)CC1 ZINC000067954367 558994892 /nfs/dbraw/zinc/99/48/92/558994892.db2.gz BPPKJCWZFARRBM-IBGZPJMESA-N 0 3 406.534 2.792 50 0 HFAAHN Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@H](C)CC4)[nH]c3=O)nc2s1 ZINC000077564995 559009320 /nfs/dbraw/zinc/00/93/20/559009320.db2.gz MCCMXWNTIIOCEH-AWEZNQCLSA-N 0 3 413.547 2.945 50 0 HFAAHN COCCN1CCC(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC1 ZINC000091964923 559074796 /nfs/dbraw/zinc/07/47/96/559074796.db2.gz OEZYDPKOFAQFGF-HSZRJFAPSA-N 0 3 402.535 2.945 50 0 HFAAHN O=C(CN1CCN(Cc2ccccc2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000023290920 559078924 /nfs/dbraw/zinc/07/89/24/559078924.db2.gz DOWMSSYSBVUUIS-UHFFFAOYSA-N 0 3 406.574 2.585 50 0 HFAAHN Cc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 ZINC000005254480 560552108 /nfs/dbraw/zinc/55/21/08/560552108.db2.gz LLROOQFLJYNIBV-UHFFFAOYSA-N 0 3 400.548 2.723 50 0 HFAAHN C[C@@H](NC[C@H](O)COc1c(Cl)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000215870963 560641988 /nfs/dbraw/zinc/64/19/88/560641988.db2.gz KWFNBTWRALAWBZ-YPMHNXCESA-N 0 3 419.330 2.731 50 0 HFAAHN CCn1cc(CNCc2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cn1 ZINC000012303642 568464939 /nfs/dbraw/zinc/46/49/39/568464939.db2.gz OIZXIMDHAYLGQN-XMMPIXPASA-N 0 3 420.557 2.991 50 0 HFAAHN COCO[C@@H]1CCN(Cc2ccccc2)[C@@H]1[C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000601014255 568587301 /nfs/dbraw/zinc/58/73/01/568587301.db2.gz CTLIOWSDMFXLDV-SYAJIYQZSA-N 0 3 421.534 2.922 50 0 HFAAHN COCO[C@@H]1CCN(Cc2ccccc2)[C@@H]1[C@@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1 ZINC000601014246 568587451 /nfs/dbraw/zinc/58/74/51/568587451.db2.gz CTLIOWSDMFXLDV-ADAARDCZSA-N 0 3 421.534 2.922 50 0 HFAAHN O=C(CN[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000225352434 568631083 /nfs/dbraw/zinc/63/10/83/568631083.db2.gz DXRXGRWYXJHXMC-QPPBQGQZSA-N 0 3 422.573 2.698 50 0 HFAAHN COCCN1C[C@@H](CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1=O ZINC000299787647 568875602 /nfs/dbraw/zinc/87/56/02/568875602.db2.gz YALJQSFXRLSSFL-MRXNPFEDSA-N 0 3 400.350 2.606 50 0 HFAAHN CN(C(=O)c1ccc2c(c1)NC(=O)CS2)C1CCN(CCc2ccncc2)CC1 ZINC000058166676 568895255 /nfs/dbraw/zinc/89/52/55/568895255.db2.gz LEMZQMDOMFWMOY-UHFFFAOYSA-N 0 3 410.543 2.905 50 0 HFAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc(-c2cnco2)cc1 ZINC000670451190 568926110 /nfs/dbraw/zinc/92/61/10/568926110.db2.gz VNHOLSTUWIVNRY-KOXWRSSLSA-N 0 3 414.509 2.639 50 0 HFAAHN CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000012774208 568953397 /nfs/dbraw/zinc/95/33/97/568953397.db2.gz CXTVXTAVUDKCMQ-UHFFFAOYSA-N 0 3 415.559 2.652 50 0 HFAAHN CNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000012785942 568960022 /nfs/dbraw/zinc/96/00/22/568960022.db2.gz NAQSVDFMSOKWIJ-UHFFFAOYSA-N 0 3 415.559 2.819 50 0 HFAAHN Cc1oc2ncn(CCC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1C ZINC000035378496 569034288 /nfs/dbraw/zinc/03/42/88/569034288.db2.gz HHSZHNQYPMEFHN-UHFFFAOYSA-N 0 3 408.502 2.777 50 0 HFAAHN COc1ccc(CN(C[C@H](O)COCc2ccco2)C[C@H]2CCCO2)cc1OC ZINC000036096061 569090321 /nfs/dbraw/zinc/09/03/21/569090321.db2.gz UROMPUZNUDCWCU-RBUKOAKNSA-N 0 3 405.491 2.856 50 0 HFAAHN Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COCc2ccccc2)s1 ZINC000036100892 569091418 /nfs/dbraw/zinc/09/14/18/569091418.db2.gz CRFPNDCPUMHYJJ-NRFANRHFSA-N 0 3 404.576 2.768 50 0 HFAAHN CN(C)CCN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C(=O)C1CC1 ZINC000036249268 569118123 /nfs/dbraw/zinc/11/81/23/569118123.db2.gz JBMSEWUVKVTTFY-UHFFFAOYSA-N 0 3 416.497 2.618 50 0 HFAAHN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@@H](C(=O)NCCN(C)C)C2 ZINC000169679990 569126773 /nfs/dbraw/zinc/12/67/73/569126773.db2.gz BVDZRQLSHKDDIU-LADGPHEKSA-N 0 3 422.573 2.549 50 0 HFAAHN CCCn1c2ccccc2c2cnn(CC(=O)NCCN3CCCC[C@@H]3C)c(=O)c21 ZINC000006900118 569176189 /nfs/dbraw/zinc/17/61/89/569176189.db2.gz WABOBCSRNZXLSF-KRWDZBQOSA-N 0 3 409.534 2.752 50 0 HFAAHN CCc1nc2c(c(=O)n1CC(=O)NCc1cccs1)CN(Cc1ccccc1)CC2 ZINC000065153581 569187542 /nfs/dbraw/zinc/18/75/42/569187542.db2.gz XUZLVTOWQFMPEZ-UHFFFAOYSA-N 0 3 422.554 2.742 50 0 HFAAHN CCc1nc2cc(N3CCC[C@@H](C(=O)NCCN4CCCC4)C3)cnc2nc1CC ZINC000065227321 569200366 /nfs/dbraw/zinc/20/03/66/569200366.db2.gz SRLNCLFIQVAFTB-QGZVFWFLSA-N 0 3 410.566 2.578 50 0 HFAAHN CCCCN1CCN(C(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)CC1 ZINC000065255989 569208045 /nfs/dbraw/zinc/20/80/45/569208045.db2.gz FBWNOQFPTPWMJB-QFIPXVFZSA-N 0 3 407.562 2.790 50 0 HFAAHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)NCCN1CCCCC1 ZINC000253406329 569366045 /nfs/dbraw/zinc/36/60/45/569366045.db2.gz YAYMLDODNYEWLD-ZTFGCOKTSA-N 0 3 411.468 2.916 50 0 HFAAHN COCCn1nc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)ccc1=O ZINC000078879452 569421415 /nfs/dbraw/zinc/42/14/15/569421415.db2.gz WOCSPRBVUSMQFK-UHFFFAOYSA-N 0 3 424.545 2.551 50 0 HFAAHN CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCN(C)CC2)c1 ZINC000039976694 571135686 /nfs/dbraw/zinc/13/56/86/571135686.db2.gz KIEUKHNLTYDQMV-UHFFFAOYSA-N 0 3 401.532 2.726 50 0 HFAAHN Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1NS(C)(=O)=O ZINC000040058499 571146036 /nfs/dbraw/zinc/14/60/36/571146036.db2.gz GUPMDLOUBANAQJ-HXUWFJFHSA-N 0 3 401.532 2.933 50 0 HFAAHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1nc(-c2cccs2)no1 ZINC000040106286 571166959 /nfs/dbraw/zinc/16/69/59/571166959.db2.gz RRXFDHMMEZQJEZ-STQMWFEESA-N 0 3 405.501 2.979 50 0 HFAAHN CC(C(=O)N[C@@H](C)c1ccccc1)S(=O)(=O)Cc1nc(-c2cccs2)no1 ZINC000040106284 571166995 /nfs/dbraw/zinc/16/69/95/571166995.db2.gz RRXFDHMMEZQJEZ-QWHCGFSZSA-N 0 3 405.501 2.979 50 0 HFAAHN Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000010283202 571299282 /nfs/dbraw/zinc/29/92/82/571299282.db2.gz ADQBJPKAZJEMJO-UHFFFAOYSA-N 0 3 401.532 2.558 50 0 HFAAHN CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H]2CCc3ccccc32)cc1 ZINC000024760822 519733296 /nfs/dbraw/zinc/73/32/96/519733296.db2.gz LJIMMWHXSRLXIY-FOIQADDNSA-N 0 3 401.532 2.977 50 0 HFAAHN CC1=C(CCN2CCN(CCn3cc(C(=O)NC(C)C)nn3)CC2)C(C)(C)CCC1 ZINC000020599405 520841288 /nfs/dbraw/zinc/84/12/88/520841288.db2.gz WLKQUZXAJSNIEG-UHFFFAOYSA-N 0 3 416.614 2.951 50 0 HFAAHN CCN1C[C@H](CN(C)C[C@@H](O)COCc2ccccc2OC)Oc2ccccc21 ZINC000032814677 521729905 /nfs/dbraw/zinc/72/99/05/521729905.db2.gz YEQGQCMFKSOJFV-UXHICEINSA-N 0 3 400.519 2.792 50 0 HFAAHN CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)Cc1nccn1Cc1ccccc1 ZINC000097325558 557272960 /nfs/dbraw/zinc/27/29/60/557272960.db2.gz GSABTVYPLYXSNQ-HFCFLWKCSA-N 0 3 403.548 2.930 50 0 HFAAHN CN(C)CCN(C[C@@H]1CN(Cc2cccs2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691931 557372561 /nfs/dbraw/zinc/37/25/61/557372561.db2.gz RNEYKVNDBJWUST-IBGZPJMESA-N 0 3 405.539 2.792 50 0 HFAAHN COCCN(C[C@@H]1CN(Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740548 557444184 /nfs/dbraw/zinc/44/41/84/557444184.db2.gz PLVKDHZHXBTYPY-GHTZIAJQSA-N 0 3 404.482 2.756 50 0 HFAAHN CN(C)CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O ZINC000004957877 557617302 /nfs/dbraw/zinc/61/73/02/557617302.db2.gz DBWIYXLNKGIGDI-UKTHLTGXSA-N 0 3 413.293 2.590 50 0 HFAAHN O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CCN2CCC[C@@H]2C1 ZINC000002771123 557760391 /nfs/dbraw/zinc/76/03/91/557760391.db2.gz AXLNGJKWOCQWFB-GFCCVEGCSA-N 0 3 405.380 2.928 50 0 HFAAHN COc1ccc(CNCc2cnn(C)c2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000011709702 558271200 /nfs/dbraw/zinc/27/12/00/558271200.db2.gz CYVWIBKRTRKKHH-JOCHJYFZSA-N 0 3 424.545 2.590 50 0 HFAAHN Cc1nc(C)c(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)s1 ZINC000011817456 558280742 /nfs/dbraw/zinc/28/07/42/558280742.db2.gz FDQKASOZQLSRQR-QGZVFWFLSA-N 0 3 406.596 2.945 50 0 HFAAHN COc1ccc(CCCN2C(=O)O[C@@H]3CN(C4CSCCSC4)C[C@@H]32)cc1 ZINC000020407099 558360529 /nfs/dbraw/zinc/36/05/29/558360529.db2.gz GFDUJCOGNZLZNY-RBUKOAKNSA-N 0 3 408.589 2.981 50 0 HFAAHN Cc1nc(CCNCc2c(C(=O)N(C)C)nc3ccc(Cl)cn32)nc2c1CCC2 ZINC000020451599 558366054 /nfs/dbraw/zinc/36/60/54/558366054.db2.gz ZWTZTBRXRASXTP-UHFFFAOYSA-N 0 3 412.925 2.609 50 0 HFAAHN COC(=O)CC[C@@H](C)N1CCC(Oc2cc(OC)ccc2C(=O)NC2CC2)CC1 ZINC000012429639 558404417 /nfs/dbraw/zinc/40/44/17/558404417.db2.gz UGEVUGZQQRFGJB-OAHLLOKOSA-N 0 3 404.507 2.772 50 0 HFAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000012430280 558404942 /nfs/dbraw/zinc/40/49/42/558404942.db2.gz GJJWYPZXPFCRFZ-QGZVFWFLSA-N 0 3 407.522 2.660 50 0 HFAAHN CSc1ncc(CN2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cn1 ZINC000012457922 558418029 /nfs/dbraw/zinc/41/80/29/558418029.db2.gz OJXOXMOMKUYOAJ-KRWDZBQOSA-N 0 3 405.612 2.743 50 0 HFAAHN COc1ccc(CN(C)Cc2cn(C)nc2C)cc1OC[C@H](O)CN1CCCCC1 ZINC000012591936 558436090 /nfs/dbraw/zinc/43/60/90/558436090.db2.gz JLNUTBFPLYLVOM-OAQYLSRUSA-N 0 3 416.566 2.595 50 0 HFAAHN COc1ccccc1CN1C[C@H](C(=O)NCCN(C)CCc2ccccc2)CCC1=O ZINC000012703144 558448435 /nfs/dbraw/zinc/44/84/35/558448435.db2.gz UMURCEOUBGGWFR-JOCHJYFZSA-N 0 3 423.557 2.725 50 0 HFAAHN CCN(CC)CCN(C(=O)CN1C(=O)CCC1=O)c1nc2ccc(Cl)cc2s1 ZINC000004359454 558456347 /nfs/dbraw/zinc/45/63/47/558456347.db2.gz MVQRACMWLSTRGI-UHFFFAOYSA-N 0 3 422.938 2.774 50 0 HFAAHN COC(=O)CCCC(=O)N(CCN(C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012746092 558458025 /nfs/dbraw/zinc/45/80/25/558458025.db2.gz JKSURTGOKNTPAJ-LJQANCHMSA-N 0 3 421.557 2.771 50 0 HFAAHN Cc1c(NC(=O)[C@@H](C)NC[C@H](c2ccccc2)N(C)C)c(=O)n(-c2ccccc2)n1C ZINC000022037823 558459518 /nfs/dbraw/zinc/45/95/18/558459518.db2.gz BGLFCARUUVLGSQ-DYESRHJHSA-N 0 3 421.545 2.704 50 0 HFAAHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000012942424 558487132 /nfs/dbraw/zinc/48/71/32/558487132.db2.gz DUVYBGSITSGLHX-UHFFFAOYSA-N 0 3 415.559 2.853 50 0 HFAAHN C[C@@H](NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NCCc1ccc(F)cc1 ZINC000022793361 558512134 /nfs/dbraw/zinc/51/21/34/558512134.db2.gz NAZNBYUCIIUVBN-VGSWGCGISA-N 0 3 417.500 2.675 50 0 HFAAHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641298 558555538 /nfs/dbraw/zinc/55/55/38/558555538.db2.gz LXDNDTOOCAGKBV-HNNXBMFYSA-N 0 3 406.442 2.847 50 0 HFAAHN COc1ccc(NC(=O)c2ccccc2NC(=O)CN(C)C2CCN(C)CC2)cc1 ZINC000025422019 558640420 /nfs/dbraw/zinc/64/04/20/558640420.db2.gz FTPHYSQOTXEJPL-UHFFFAOYSA-N 0 3 410.518 2.912 50 0 HFAAHN C[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014538740 558659126 /nfs/dbraw/zinc/65/91/26/558659126.db2.gz VHGSOLMCWZLTKB-HXUWFJFHSA-N 0 3 421.541 2.909 50 0 HFAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014540745 558659879 /nfs/dbraw/zinc/65/98/79/558659879.db2.gz VGUMLWJYHIORCO-GOSISDBHSA-N 0 3 417.550 2.780 50 0 HFAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(F)cc1F)C2 ZINC000014743570 558668029 /nfs/dbraw/zinc/66/80/29/558668029.db2.gz ZCKCNRCEJPTPSL-OAHLLOKOSA-N 0 3 406.502 2.534 50 0 HFAAHN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 ZINC000014882175 558676380 /nfs/dbraw/zinc/67/63/80/558676380.db2.gz YHHJHFUUHUNTRK-KRWDZBQOSA-N 0 3 407.518 2.703 50 0 HFAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCC(=O)N(C)C ZINC000015075903 558716278 /nfs/dbraw/zinc/71/62/78/558716278.db2.gz KIZGYMLOMAWGQS-HXUWFJFHSA-N 0 3 403.567 2.667 50 0 HFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000015240657 558729449 /nfs/dbraw/zinc/72/94/49/558729449.db2.gz LYLUJBCWPARIDH-PZJWPPBQSA-N 0 3 402.502 2.791 50 0 HFAAHN CN(c1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1)S(C)(=O)=O ZINC000016607045 558796673 /nfs/dbraw/zinc/79/66/73/558796673.db2.gz RHRKENVJVHYOPT-UHFFFAOYSA-N 0 3 401.532 2.933 50 0 HFAAHN Cn1c2ccccc2nc(C(=O)NCC2CCN(Cc3ccccc3F)CC2)c1=O ZINC000033085898 558870518 /nfs/dbraw/zinc/87/05/18/558870518.db2.gz SACAKHKGAQDGPU-UHFFFAOYSA-N 0 3 408.477 2.715 50 0 HFAAHN NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000058343519 558920707 /nfs/dbraw/zinc/92/07/07/558920707.db2.gz BXYHFSVTTLPZRP-RBUKOAKNSA-N 0 3 408.502 2.509 50 0 HFAAHN CCCCN1CCCC[C@@H]1CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000058434778 558926877 /nfs/dbraw/zinc/92/68/77/558926877.db2.gz GEGGTOPAMAFVNJ-CYBMUJFWSA-N 0 3 415.943 2.604 50 0 HFAAHN CN1CCC(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000065364240 558975278 /nfs/dbraw/zinc/97/52/78/558975278.db2.gz AQBQLRDNERWUFO-UHFFFAOYSA-N 0 3 421.950 2.746 50 0 HFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 ZINC000065364406 558975614 /nfs/dbraw/zinc/97/56/14/558975614.db2.gz HHUQGGFCMKKHRB-UHFFFAOYSA-N 0 3 424.505 2.858 50 0 HFAAHN Cc1sc2nc(CS[C@@H](C)C(=O)N3CCC[C@H](N(C)C)C3)[nH]c(=O)c2c1C ZINC000097000948 558987628 /nfs/dbraw/zinc/98/76/28/558987628.db2.gz IUOHSNOJCPKUSI-KBPBESRZSA-N 0 3 408.593 2.776 50 0 HFAAHN COc1ccccc1N1CCN(c2ncccc2CN[C@@H](C)Cn2cccn2)CC1 ZINC000067605256 558988810 /nfs/dbraw/zinc/98/88/10/558988810.db2.gz AOVXFPSCUGWBBR-IBGZPJMESA-N 0 3 406.534 2.792 50 0 HFAAHN CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2csc3nc(-c4ccccc4Cl)cn23)C1 ZINC000067908918 558994533 /nfs/dbraw/zinc/99/45/33/558994533.db2.gz CSWUTQFHBRSADJ-OLZOCXBDSA-N 0 3 404.923 2.853 50 0 HFAAHN O=C(CN1CCN(Cc2ccccc2F)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000097123658 558995775 /nfs/dbraw/zinc/99/57/75/558995775.db2.gz JFVZDSJRKXCVQF-UHFFFAOYSA-N 0 3 424.520 2.844 50 0 HFAAHN COc1ccc(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000023127647 559016046 /nfs/dbraw/zinc/01/60/46/559016046.db2.gz KCBPNRSJFQAMOI-UHFFFAOYSA-N 0 3 404.532 2.894 50 0 HFAAHN CN(CCN(CCN1CCCCC1)C(=O)[C@H]1CCCS1)C(=O)[C@@H]1CCCS1 ZINC000408518050 559213032 /nfs/dbraw/zinc/21/30/32/559213032.db2.gz SJHAVQJMVTWJOL-ZWKOTPCHSA-N 0 3 413.653 2.551 50 0 HFAAHN CN(CCN(CCN1CCCCC1)C(=O)[C@H]1CCCS1)C(=O)[C@H]1CCCS1 ZINC000408518048 559213046 /nfs/dbraw/zinc/21/30/46/559213046.db2.gz SJHAVQJMVTWJOL-QZTJIDSGSA-N 0 3 413.653 2.551 50 0 HFAAHN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CCN(CCO)C[C@H]12 ZINC000247995006 559275075 /nfs/dbraw/zinc/27/50/75/559275075.db2.gz CPEUUJRXMVVMRW-GMAHTHKFSA-N 0 3 424.932 2.788 50 0 HFAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2ccccc2F)c2c1CCCC2 ZINC000005254417 560552009 /nfs/dbraw/zinc/55/20/09/560552009.db2.gz ZNVJXLMWDZDKMS-UHFFFAOYSA-N 0 3 404.511 2.554 50 0 HFAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2cccc(F)c2)c2c1CCCC2 ZINC000005254483 560552111 /nfs/dbraw/zinc/55/21/11/560552111.db2.gz DFOMLUXUDZDOMV-UHFFFAOYSA-N 0 3 404.511 2.554 50 0 HFAAHN COc1ccc(-n2c(SCCNCCO)nnc2-c2cccc(OC)c2)cc1 ZINC000003359387 560592892 /nfs/dbraw/zinc/59/28/92/560592892.db2.gz RNXIHRVWEYOLNO-UHFFFAOYSA-N 0 3 400.504 2.626 50 0 HFAAHN COc1ccc(NC(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1 ZINC000049401544 568447806 /nfs/dbraw/zinc/44/78/06/568447806.db2.gz DPHHKZPZJVXRLE-UHFFFAOYSA-N 0 3 410.522 2.774 50 0 HFAAHN CCOc1cc(CN[C@H]2CCN(Cc3ccccc3)C2)ccc1OCC(=O)N(C)C ZINC000022804313 568499813 /nfs/dbraw/zinc/49/98/13/568499813.db2.gz JGCSBCFCSGRBAY-NRFANRHFSA-N 0 3 411.546 2.916 50 0 HFAAHN CNC(=O)[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2C)CN1C1Cc2ccccc2C1 ZINC000020323264 568599190 /nfs/dbraw/zinc/59/91/90/568599190.db2.gz CNQQZTNXWDDJPP-GGAORHGYSA-N 0 3 407.558 2.758 50 0 HFAAHN O=C(CCNC(=O)OCC(F)(F)F)O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000095456235 568617804 /nfs/dbraw/zinc/61/78/04/568617804.db2.gz PHLRJAWGADACIS-QGZVFWFLSA-N 0 3 414.424 2.971 50 0 HFAAHN Cc1noc2ncnc(N3CCC(C(=O)N4CCN(C5CCCCC5)CC4)CC3)c12 ZINC000020944954 568653112 /nfs/dbraw/zinc/65/31/12/568653112.db2.gz GNGMVUMVODULFZ-UHFFFAOYSA-N 0 3 412.538 2.620 50 0 HFAAHN CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000021052286 568660997 /nfs/dbraw/zinc/66/09/97/568660997.db2.gz XTUXZAQWAMJWOP-IBGZPJMESA-N 0 3 423.604 2.689 50 0 HFAAHN CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000021052286 568661001 /nfs/dbraw/zinc/66/10/01/568661001.db2.gz XTUXZAQWAMJWOP-IBGZPJMESA-N 0 3 423.604 2.689 50 0 HFAAHN CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(C(=O)NCCN3CCCCC3)o2)C1 ZINC000096281081 568671699 /nfs/dbraw/zinc/67/16/99/568671699.db2.gz DTQAEKNWJBZCGI-LJQANCHMSA-N 0 3 418.582 2.576 50 0 HFAAHN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(C(=O)NCCN3CCCCC3)o2)C1 ZINC000096281082 568671871 /nfs/dbraw/zinc/67/18/71/568671871.db2.gz DTQAEKNWJBZCGI-IBGZPJMESA-N 0 3 418.582 2.576 50 0 HFAAHN Cc1ccc(C(=O)/N=c2\sccn2Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000096096072 568688947 /nfs/dbraw/zinc/68/89/47/568688947.db2.gz OGHZCLVCKDYPJX-BZZOAKBMSA-N 0 3 422.554 2.939 50 0 HFAAHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2nn(C)c(=O)c3ccccc32)cc1 ZINC000002625587 568789085 /nfs/dbraw/zinc/78/90/85/568789085.db2.gz VINZVKTXCKSHEI-UHFFFAOYSA-N 0 3 422.485 2.684 50 0 HFAAHN CN1CCCCC[C@H]1C(=O)N1CCC2(C[C@H]2C(=O)NCCCc2ccncc2)CC1 ZINC000299758161 568872980 /nfs/dbraw/zinc/87/29/80/568872980.db2.gz NZPCKZGXAJHWOL-SFTDATJTSA-N 0 3 412.578 2.634 50 0 HFAAHN COc1ccccc1OC[C@H](O)Cn1c2ccccc2n(CCN2CCCCC2)c1=N ZINC000001274409 568910148 /nfs/dbraw/zinc/91/01/48/568910148.db2.gz WBUOOXNMVHIUJT-LJQANCHMSA-N 0 3 424.545 2.857 50 0 HFAAHN O=C(CCC(=O)N1CCN(C2CCCCC2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000001278936 568910164 /nfs/dbraw/zinc/91/01/64/568910164.db2.gz JKONCDDIMRJEAZ-UHFFFAOYSA-N 0 3 419.473 2.753 50 0 HFAAHN O=C(CCc1c[nH]c2ccccc12)N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000670461901 568953111 /nfs/dbraw/zinc/95/31/11/568953111.db2.gz MHRXJNBNVSFXED-XXBILOIISA-N 0 3 414.553 2.784 50 0 HFAAHN CCN1CCN(c2ccc(N[C@H](C)C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000008130561 568975044 /nfs/dbraw/zinc/97/50/44/568975044.db2.gz RNAOMVJISVVYGV-QGZVFWFLSA-N 0 3 410.518 2.674 50 0 HFAAHN COc1ccc(C(OC[C@@H](O)CN2CCC(O)CC2)c2ccc(OC)cc2)cc1 ZINC000008188144 568980832 /nfs/dbraw/zinc/98/08/32/568980832.db2.gz NJNUBWLIMCVXJL-FQEVSTJZSA-N 0 3 401.503 2.627 50 0 HFAAHN CCN1CCN(CCNC(=O)c2cc3occc3c(Nc3ccc(OC)cc3)n2)CC1 ZINC000085651152 569005848 /nfs/dbraw/zinc/00/58/48/569005848.db2.gz NRYUKBVKTHMNSE-UHFFFAOYSA-N 0 3 423.517 2.947 50 0 HFAAHN CC[C@@H]1CN(CC(=O)Nc2cc(OC)cc(OC)c2)[C@@H](CC)CN1CC(C)(C)O ZINC000225409021 569039857 /nfs/dbraw/zinc/03/98/57/569039857.db2.gz AYBBIUXAAWOESG-ZWKOTPCHSA-N 0 3 407.555 2.588 50 0 HFAAHN O=C(NCc1ccc(Br)cc1)c1ccc(=O)n(CCN2CCCC2)c1 ZINC000064760523 569091197 /nfs/dbraw/zinc/09/11/97/569091197.db2.gz PFWFZRIJYWQHKP-UHFFFAOYSA-N 0 3 404.308 2.637 50 0 HFAAHN CCN(CCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O)Cc1ccccc1 ZINC000006937540 569185175 /nfs/dbraw/zinc/18/51/75/569185175.db2.gz INOMWPQUDQMBPJ-UHFFFAOYSA-N 0 3 403.486 2.516 50 0 HFAAHN CC(C)CN1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)CC1 ZINC000065245295 569205068 /nfs/dbraw/zinc/20/50/68/569205068.db2.gz VMVTUUYEYGOCHC-LJQANCHMSA-N 0 3 414.598 2.848 50 0 HFAAHN Cc1nn(C)c(C)c1CNC(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065256014 569208235 /nfs/dbraw/zinc/20/82/35/569208235.db2.gz JRJKOOJMASXVLM-OAQYLSRUSA-N 0 3 404.518 2.513 50 0 HFAAHN COc1ccc(-c2cc(C(=O)N3CCN4CCC[C@H]4C3)c3c(C)nn(C)c3n2)cc1 ZINC000036613549 569209329 /nfs/dbraw/zinc/20/93/29/569209329.db2.gz OPXAMQYBALOPSN-KRWDZBQOSA-N 0 3 405.502 2.873 50 0 HFAAHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000065329570 569224805 /nfs/dbraw/zinc/22/48/05/569224805.db2.gz VSKODPNADNOZKB-UHFFFAOYSA-N 0 3 412.465 2.616 50 0 HFAAHN COC(=O)c1c(C)nsc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065564706 569234206 /nfs/dbraw/zinc/23/42/06/569234206.db2.gz XCLWVEZVRPPVTO-BETUJISGSA-N 0 3 410.540 2.591 50 0 HFAAHN COc1ccc(NC(=O)CSC2=N[C@@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1 ZINC000013579092 569256371 /nfs/dbraw/zinc/25/63/71/569256371.db2.gz YGIHNLSJBXZQOJ-SFHVURJKSA-N 0 3 408.487 2.821 50 0 HFAAHN Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000054969016 569372263 /nfs/dbraw/zinc/37/22/63/569372263.db2.gz BOYGSTOYJMINRC-GHMZBOCLSA-N 0 3 409.250 2.840 50 0 HFAAHN CCc1ccccc1N1C[C@@H](C(=O)N(C)CCCN(C)Cc2ccncc2)CC1=O ZINC000328591870 569415147 /nfs/dbraw/zinc/41/51/47/569415147.db2.gz ASOWYCJVOJHQLX-NRFANRHFSA-N 0 3 408.546 2.977 50 0 HFAAHN CN(C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000040068075 571148644 /nfs/dbraw/zinc/14/86/44/571148644.db2.gz KIJTXICOEQSGCH-GOSISDBHSA-N 0 3 406.486 2.751 50 0 HFAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000040098451 571162475 /nfs/dbraw/zinc/16/24/75/571162475.db2.gz OYFRMRGPKWWNDA-UHFFFAOYSA-N 0 3 404.536 2.629 50 0 HFAAHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCCN1CCC(C)CC1 ZINC000069322071 571220127 /nfs/dbraw/zinc/22/01/27/571220127.db2.gz JXVBCAAHENNKCL-GOSISDBHSA-N 0 3 407.942 2.801 50 0 HFAAHN O=C(CC1SC(c2cc3ccccc3oc2=O)=NC1=O)NCCc1ccccc1 ZINC000009218095 571237669 /nfs/dbraw/zinc/23/76/69/571237669.db2.gz UMVRFBVCKWEZCE-GOSISDBHSA-N 0 3 406.463 2.931 50 0 HFAAHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000010333513 571300451 /nfs/dbraw/zinc/30/04/51/571300451.db2.gz ULMRITQHRGEADF-LJQANCHMSA-N 0 3 405.454 2.926 50 0 HFAAHN COCCCN1C(=O)C(CC(=O)Nc2ccccc2OC)n2c3ccccc3nc21 ZINC000032581138 523292983 /nfs/dbraw/zinc/29/29/83/523292983.db2.gz GZOHNEJZPORSFV-SFHVURJKSA-N 0 3 408.458 2.998 50 0 HFAAHN CN1CCC2(CC1)C[C@@H](NC(=O)CN1C(=O)COc3ccccc31)c1ccccc1O2 ZINC000032676312 523786566 /nfs/dbraw/zinc/78/65/66/523786566.db2.gz ANAWEWYOLIEBSO-GOSISDBHSA-N 0 3 421.497 2.516 50 0 HFAAHN CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCN3CCCC3)CC2)c2ccccc2O1 ZINC000020902404 536117430 /nfs/dbraw/zinc/11/74/30/536117430.db2.gz HFTSHMNSMZFRCA-IBGZPJMESA-N 0 3 414.550 2.708 50 0 HFAAHN COCCN(C[C@H]1CN(Cc2ccccn2)C[C@@H]1c1cccc(F)c1)C(=O)COC ZINC000034740561 557444175 /nfs/dbraw/zinc/44/41/75/557444175.db2.gz KICQHJRPWYLXFG-DENIHFKCSA-N 0 3 415.509 2.558 50 0 HFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@@H](NC3CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000004649059 557575427 /nfs/dbraw/zinc/57/54/27/557575427.db2.gz ZLDPEZBSLSJDPH-JOCHJYFZSA-N 0 3 420.513 2.531 50 0 HFAAHN COCCCN(C(=O)c1cn(Cc2ccc(Cl)cc2)nn1)C1CCN(C)CC1 ZINC000019741090 558261774 /nfs/dbraw/zinc/26/17/74/558261774.db2.gz VVBAPCYEICTXDY-UHFFFAOYSA-N 0 3 405.930 2.553 50 0 HFAAHN C[C@@H]1CCCN(C(=O)C[C@@]2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)C1 ZINC000011788296 558276717 /nfs/dbraw/zinc/27/67/17/558276717.db2.gz YHLKFHMELWFJJK-ZHRRBRCNSA-N 0 3 419.953 2.547 50 0 HFAAHN COc1ccc(-c2cn3c4ccccc4nc3n2CCN2CCN(CCO)CC2)cc1 ZINC000019789923 558282239 /nfs/dbraw/zinc/28/22/39/558282239.db2.gz WMIPFXNEDSTMIL-UHFFFAOYSA-N 0 3 419.529 2.575 50 0 HFAAHN CCN(Cc1ccncc1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000011936839 558300766 /nfs/dbraw/zinc/30/07/66/558300766.db2.gz MUUAUYBXLYIADO-NRFANRHFSA-N 0 3 401.576 2.892 50 0 HFAAHN COc1ccccc1/C=C/CN1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1 ZINC000012034247 558311562 /nfs/dbraw/zinc/31/15/62/558311562.db2.gz INOZSPCKTNVZEK-ZGRWHYIRSA-N 0 3 421.501 2.942 50 0 HFAAHN COc1cc(C(=O)N(CCO)Cc2cccs2)ccc1OC1CCN(C)CC1 ZINC000012058146 558316651 /nfs/dbraw/zinc/31/66/51/558316651.db2.gz FFQGXENFJIFXSY-UHFFFAOYSA-N 0 3 404.532 2.864 50 0 HFAAHN CN(CCC1CCOCC1)Cc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000012092367 558324531 /nfs/dbraw/zinc/32/45/31/558324531.db2.gz CVDFPDBWJMDWRC-NRFANRHFSA-N 0 3 408.608 2.724 50 0 HFAAHN CC(C)[C@@H](NC(=O)[C@H]1CCOC1)c1nnc2n1CCN(CC1CCCCC1)CC2 ZINC000012162030 558341939 /nfs/dbraw/zinc/34/19/39/558341939.db2.gz IFECHVVGWVEMHH-AZUAARDMSA-N 0 3 403.571 2.566 50 0 HFAAHN OCC[C@H]1CN(C2CCN(Cc3ccccn3)CC2)CCN1Cc1cccs1 ZINC000020204681 558346526 /nfs/dbraw/zinc/34/65/26/558346526.db2.gz YUVWROUGOGHZCQ-NRFANRHFSA-N 0 3 400.592 2.676 50 0 HFAAHN CCN1CCN(CCc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)CC1 ZINC000020503515 558381427 /nfs/dbraw/zinc/38/14/27/558381427.db2.gz ZGQGCOOIMCWOEU-UHFFFAOYSA-N 0 3 421.545 2.771 50 0 HFAAHN COc1ccccc1N1C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC1=O ZINC000012409267 558399864 /nfs/dbraw/zinc/39/98/64/558399864.db2.gz JUMOCSASHVMAAI-LJQANCHMSA-N 0 3 407.514 2.829 50 0 HFAAHN COc1cc(-c2nc(CN3CCC(N4CCNC(=O)CC4)CC3)c(C)o2)ccc1F ZINC000020706506 558400619 /nfs/dbraw/zinc/40/06/19/558400619.db2.gz LTPAPZHIXJPAAU-UHFFFAOYSA-N 0 3 416.497 2.584 50 0 HFAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNCCCn1cccn1 ZINC000012429912 558404625 /nfs/dbraw/zinc/40/46/25/558404625.db2.gz OZRGHZWTKIBOSU-UHFFFAOYSA-N 0 3 402.502 2.983 50 0 HFAAHN Cc1c(C(=O)N(C)C2CCN(C)CC2)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012456681 558417586 /nfs/dbraw/zinc/41/75/86/558417586.db2.gz IKUUKAAAUHNYCU-UHFFFAOYSA-N 0 3 408.481 2.943 50 0 HFAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCCN1CCCC1=O ZINC000012481168 558423506 /nfs/dbraw/zinc/42/35/06/558423506.db2.gz WZPLMKDDDWOFSV-LJQANCHMSA-N 0 3 403.542 2.941 50 0 HFAAHN CCc1ccc(CN2CCc3nnc([C@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000020998275 558427274 /nfs/dbraw/zinc/42/72/74/558427274.db2.gz XZIKZCNVXBNGNH-KRWDZBQOSA-N 0 3 411.550 2.503 50 0 HFAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c1C ZINC000021795750 558449529 /nfs/dbraw/zinc/44/95/29/558449529.db2.gz ATEXOLXSYICUHN-UHFFFAOYSA-N 0 3 423.565 2.508 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000012710667 558452271 /nfs/dbraw/zinc/45/22/71/558452271.db2.gz KNEROWNZFXBVPQ-SFHVURJKSA-N 0 3 406.958 2.968 50 0 HFAAHN CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359489 558456677 /nfs/dbraw/zinc/45/66/77/558456677.db2.gz WEBYEKQIQHFBIB-UHFFFAOYSA-N 0 3 405.476 2.588 50 0 HFAAHN C[C@H](NC[C@H](c1ccc(F)cc1)N1CCOCC1)C(=O)NCCc1ccc(F)cc1 ZINC000022793369 558512251 /nfs/dbraw/zinc/51/22/51/558512251.db2.gz NAZNBYUCIIUVBN-HTAPYJJXSA-N 0 3 417.500 2.675 50 0 HFAAHN CCc1ccc([C@@H](CNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)N(C)C)cc1 ZINC000023248604 558545605 /nfs/dbraw/zinc/54/56/05/558545605.db2.gz BXKLJFVCDJZMLG-IFMALSPDSA-N 0 3 418.607 2.814 50 0 HFAAHN CN(C)C(=O)c1nc2ccc(Cl)cn2c1CNCCCn1nnc2ccccc21 ZINC000023337291 558549709 /nfs/dbraw/zinc/54/97/09/558549709.db2.gz PLFQCCDWFMRMKH-UHFFFAOYSA-N 0 3 411.897 2.614 50 0 HFAAHN C[C@@H]1CN(C(=O)c2nc3sccn3c2CN(C)CCN2CCCCC2)C[C@H](C)O1 ZINC000023374674 558554538 /nfs/dbraw/zinc/55/45/38/558554538.db2.gz QZORAYIZJBXZRQ-CALCHBBNSA-N 0 3 419.595 2.563 50 0 HFAAHN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(c3ccncc3)CC2)C1=O ZINC000023847863 558577986 /nfs/dbraw/zinc/57/79/86/558577986.db2.gz VEAJLDRKSFIWEI-XMMPIXPASA-N 0 3 415.497 2.782 50 0 HFAAHN CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)C(C)C ZINC000024710241 558608470 /nfs/dbraw/zinc/60/84/70/558608470.db2.gz CDBGFVNQBYOKKE-QGZVFWFLSA-N 0 3 415.987 2.877 50 0 HFAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(C)c1)CC2 ZINC000014531514 558656269 /nfs/dbraw/zinc/65/62/69/558656269.db2.gz BDXRNHFCKUIXRO-UHFFFAOYSA-N 0 3 422.529 2.835 50 0 HFAAHN COCCSc1nnc(C2CCN(Cc3ccc(C(=O)OC)cc3)CC2)n1C ZINC000014888137 558677884 /nfs/dbraw/zinc/67/78/84/558677884.db2.gz RGYYLRBSTDPPTC-UHFFFAOYSA-N 0 3 404.536 2.720 50 0 HFAAHN CC(=O)NCCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000014954582 558681913 /nfs/dbraw/zinc/68/19/13/558681913.db2.gz BRVDVQOKQFRUST-UHFFFAOYSA-N 0 3 409.530 2.638 50 0 HFAAHN CN(C)CCSc1nnc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)n1C ZINC000014978881 558690476 /nfs/dbraw/zinc/69/04/76/558690476.db2.gz KWEPFZLFBHSTBE-UHFFFAOYSA-N 0 3 407.971 2.860 50 0 HFAAHN COCc1ccc(C(=O)NCc2nnc3n2CCN(Cc2cc(C)cc(C)c2)CC3)o1 ZINC000014990276 558694081 /nfs/dbraw/zinc/69/40/81/558694081.db2.gz YHCZFRFMNTUNTD-UHFFFAOYSA-N 0 3 423.517 2.623 50 0 HFAAHN CCOC(=O)CN(C)Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000015062291 558705289 /nfs/dbraw/zinc/70/52/89/558705289.db2.gz WCXNCKLAWLULFZ-NRFANRHFSA-N 0 3 400.519 2.553 50 0 HFAAHN O=C1CCCN1CCCN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000015069726 558711836 /nfs/dbraw/zinc/71/18/36/558711836.db2.gz ITOHRPBHOCWLNO-MRXNPFEDSA-N 0 3 421.925 2.552 50 0 HFAAHN CN(C)CCn1cc(NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cn1 ZINC000072309717 558773963 /nfs/dbraw/zinc/77/39/63/558773963.db2.gz YEHVYDVTOMJORM-MRXNPFEDSA-N 0 3 408.547 2.556 50 0 HFAAHN Cc1cccc(Nc2nc(C(=O)N(CCC(=O)NCCN(C)C)C3CC3)cs2)c1 ZINC000037426107 558805238 /nfs/dbraw/zinc/80/52/38/558805238.db2.gz QZAXGOKTWSZKPJ-UHFFFAOYSA-N 0 3 415.563 2.868 50 0 HFAAHN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)cc2)C1 ZINC000048276254 558843820 /nfs/dbraw/zinc/84/38/20/558843820.db2.gz VQGJKZJBDDDBGT-HXUWFJFHSA-N 0 3 403.486 2.552 50 0 HFAAHN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nc(-c4cccnc4)cc(=O)[n-]3)cc2)C1 ZINC000048276254 558843821 /nfs/dbraw/zinc/84/38/21/558843821.db2.gz VQGJKZJBDDDBGT-HXUWFJFHSA-N 0 3 403.486 2.552 50 0 HFAAHN Cc1ncsc1CCCNCc1c(C(=O)N2CCOCC2)nc2c(C)cccn12 ZINC000019145973 558846684 /nfs/dbraw/zinc/84/66/84/558846684.db2.gz HSTHFRQIKGKZNN-UHFFFAOYSA-N 0 3 413.547 2.602 50 0 HFAAHN CCCCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000058174755 558908961 /nfs/dbraw/zinc/90/89/61/558908961.db2.gz DXNRFZQYKOOXRV-OAHLLOKOSA-N 0 3 411.930 2.597 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCC(CC(=O)NCCN3CCCC[C@@H]3C)CC2)cc1 ZINC000033254570 558918665 /nfs/dbraw/zinc/91/86/65/558918665.db2.gz RWVPLRGGDDTPFU-IBGZPJMESA-N 0 3 421.607 2.776 50 0 HFAAHN C/C(=C\c1ccco1)CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000059314206 558933805 /nfs/dbraw/zinc/93/38/05/558933805.db2.gz NZRFJEKSCXNTNK-SFQUDFHCSA-N 0 3 423.492 2.831 50 0 HFAAHN Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2F)cc1 ZINC000067601841 558987514 /nfs/dbraw/zinc/98/75/14/558987514.db2.gz DFISZCPMUDAPMP-UHFFFAOYSA-N 0 3 419.522 2.540 50 0 HFAAHN CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2csc3nc(-c4cccc(Cl)c4)cn23)C1 ZINC000067689088 558991474 /nfs/dbraw/zinc/99/14/74/558991474.db2.gz SKNPXCUYEAFMEU-CABCVRRESA-N 0 3 404.923 2.853 50 0 HFAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3[C@@H](C)CCC[C@@H]3C)ccc2c1=O ZINC000004791763 559065539 /nfs/dbraw/zinc/06/55/39/559065539.db2.gz QZYOHMMGLQCTAQ-IRXDYDNUSA-N 0 3 414.550 2.873 50 0 HFAAHN COCCN1CCC(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC1 ZINC000091964926 559074823 /nfs/dbraw/zinc/07/48/23/559074823.db2.gz OEZYDPKOFAQFGF-QHCPKHFHSA-N 0 3 402.535 2.945 50 0 HFAAHN COc1cccc(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)c1 ZINC000096210466 559101457 /nfs/dbraw/zinc/10/14/57/559101457.db2.gz SIJLLRWQWNMIKP-UHFFFAOYSA-N 0 3 416.522 2.516 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCOC[C@@H]12 ZINC000035894975 559188787 /nfs/dbraw/zinc/18/87/87/559188787.db2.gz DAJNLTLHXNSUHJ-MJGOQNOKSA-N 0 3 411.468 2.685 50 0 HFAAHN Cc1nn(CC(=O)NCCCN(C)Cc2ccccc2)c(=O)c2cc3sccc3n21 ZINC000005108785 559246555 /nfs/dbraw/zinc/24/65/55/559246555.db2.gz UNSXPIIEUSISRD-UHFFFAOYSA-N 0 3 423.542 2.657 50 0 HFAAHN CN(CCNC(=O)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)Cc1ccccc1 ZINC000005201370 560537492 /nfs/dbraw/zinc/53/74/92/560537492.db2.gz YOHKIZKDEKYCOB-GOSISDBHSA-N 0 3 400.910 2.877 50 0 HFAAHN Cc1ccccc1NC(=O)CSc1nc(=O)n(CCN(C)C)c2c1CCCC2 ZINC000005254421 560551967 /nfs/dbraw/zinc/55/19/67/560551967.db2.gz XKCZACJKLXCLOV-UHFFFAOYSA-N 0 3 400.548 2.723 50 0 HFAAHN CCn1cc(CNCc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cn1 ZINC000012303641 568464842 /nfs/dbraw/zinc/46/48/42/568464842.db2.gz OIZXIMDHAYLGQN-DEOSSOPVSA-N 0 3 420.557 2.991 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000020102458 568587903 /nfs/dbraw/zinc/58/79/03/568587903.db2.gz MWHLPOUNVFDHRF-KRWDZBQOSA-N 0 3 408.527 2.889 50 0 HFAAHN CCN1CCC(n2nccc2NC(=O)C(=O)NCC(C)(C)c2ccc(F)cc2)CC1 ZINC000095444222 568611372 /nfs/dbraw/zinc/61/13/72/568611372.db2.gz XPRWHPHRSULLMG-UHFFFAOYSA-N 0 3 415.513 2.712 50 0 HFAAHN Cc1ccc(C(C)C)c(OCc2nnc(SCCCN3CCN(C)CC3)n2N)c1 ZINC000225566893 568651853 /nfs/dbraw/zinc/65/18/53/568651853.db2.gz YLORFASPWKRNPM-UHFFFAOYSA-N 0 3 418.611 2.732 50 0 HFAAHN CC[C@H](O)CN1CCC(NC(=O)Nc2ccc(OC)cc2Br)CC1 ZINC000095996528 568679226 /nfs/dbraw/zinc/67/92/26/568679226.db2.gz FJODBFLLYJXLFX-ZDUSSCGKSA-N 0 3 400.317 2.815 50 0 HFAAHN CSc1ccc(S(=O)(=O)NCc2ccccc2CN2CCC[C@H]2CO)cc1 ZINC000096006759 568682986 /nfs/dbraw/zinc/68/29/86/568682986.db2.gz ADUQLUNQTGAHBE-SFHVURJKSA-N 0 3 406.573 2.844 50 0 HFAAHN O=C(Nc1cccc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)c1)NC1CC1 ZINC000096007055 568683239 /nfs/dbraw/zinc/68/32/39/568683239.db2.gz HVUTYLVYAQLACY-QFIPXVFZSA-N 0 3 422.529 2.857 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CSCc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000021529690 568710031 /nfs/dbraw/zinc/71/00/31/568710031.db2.gz WUIZDWKPUQBTOA-OAHLLOKOSA-N 0 3 420.535 2.588 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000096344295 568737311 /nfs/dbraw/zinc/73/73/11/568737311.db2.gz QXGKXLNMLAZTSJ-SFHVURJKSA-N 0 3 417.513 2.697 50 0 HFAAHN Cc1ccc(-c2ccc(=O)n(CCC(=O)NCCN(C)Cc3ccccc3)n2)cc1 ZINC000002941336 568819437 /nfs/dbraw/zinc/81/94/37/568819437.db2.gz LZCCSYXKDWMZKP-UHFFFAOYSA-N 0 3 404.514 2.857 50 0 HFAAHN COCC1CCN(S(=O)(=O)NCC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000670444435 568903821 /nfs/dbraw/zinc/90/38/21/568903821.db2.gz YDMGDBWMCIRQCH-NRFANRHFSA-N 0 3 409.596 2.624 50 0 HFAAHN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015954443 569024560 /nfs/dbraw/zinc/02/45/60/569024560.db2.gz AFSZZUJLALSTFP-PBQROFAYSA-N 0 3 415.493 2.730 50 0 biogenic HFAAHN O=C(CN1c2cc(-c3cccc(Cl)c3)nn2CCC1=O)NCCN1CCCCC1 ZINC000035374746 569033940 /nfs/dbraw/zinc/03/39/40/569033940.db2.gz RGZKRMWPHQQLGM-UHFFFAOYSA-N 0 3 415.925 2.542 50 0 HFAAHN CCCN(CCC)CCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCCS2 ZINC000035504670 569040819 /nfs/dbraw/zinc/04/08/19/569040819.db2.gz VLFBIIIHNJVIFW-UHFFFAOYSA-N 0 3 413.609 2.936 50 0 HFAAHN O=c1cc(CN2CCCCC2)nc(N2CCN(Cc3ccccc3Cl)CC2)[nH]1 ZINC000035925340 569066362 /nfs/dbraw/zinc/06/63/62/569066362.db2.gz KUYXNIFHEUYBBT-UHFFFAOYSA-N 0 3 401.942 2.731 50 0 HFAAHN Cc1ccc(-c2nn(C)cc2CCC(=O)N2CCN(C3CCN(C)CC3)CC2)cc1 ZINC000064861124 569109483 /nfs/dbraw/zinc/10/94/83/569109483.db2.gz WYLQPVJLOVWUHQ-UHFFFAOYSA-N 0 3 409.578 2.567 50 0 HFAAHN CN1CCC(N2CCN(C(=O)Cc3cccn3-c3cccc(Cl)c3)CC2)CC1 ZINC000065170942 569189191 /nfs/dbraw/zinc/18/91/91/569189191.db2.gz HYBIZNFFHXKDLU-UHFFFAOYSA-N 0 3 400.954 2.912 50 0 HFAAHN CC(C)CN1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)ncn3)C2)CC1 ZINC000065245294 569205094 /nfs/dbraw/zinc/20/50/94/569205094.db2.gz VMVTUUYEYGOCHC-IBGZPJMESA-N 0 3 414.598 2.848 50 0 HFAAHN CC(C)CN1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)CC1 ZINC000065274157 569214921 /nfs/dbraw/zinc/21/49/21/569214921.db2.gz SMAZMVXDPWLWNY-UHFFFAOYSA-N 0 3 414.598 2.848 50 0 HFAAHN C[C@@H]1C[C@@](O)([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C)CN1C ZINC000195777567 569314654 /nfs/dbraw/zinc/31/46/54/569314654.db2.gz URNGAGFSEVYAOW-XLGIIRLISA-N 0 3 401.626 2.787 50 0 HFAAHN Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(CC(C)C)CC2)CCO3)cn1 ZINC000581820175 569321022 /nfs/dbraw/zinc/32/10/22/569321022.db2.gz WPIWWFFTGYSTLG-JOCHJYFZSA-N 0 3 414.594 2.817 50 0 HFAAHN COc1cc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)cc(OC)c1O ZINC000019841733 569431053 /nfs/dbraw/zinc/43/10/53/569431053.db2.gz IUPGIWDYFGKKFV-NRFANRHFSA-N 0 3 414.546 2.911 50 0 HFAAHN CN(C)CCNC(=O)c1sccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000067245566 571054098 /nfs/dbraw/zinc/05/40/98/571054098.db2.gz ICVIZJBDLIBZLR-UHFFFAOYSA-N 0 3 401.941 2.518 50 0 HFAAHN CCOC(=O)c1ccc(NC(=O)C2=C(C)C(=O)OC23CCN(C(C)C)CC3)cc1 ZINC000008600207 571089920 /nfs/dbraw/zinc/08/99/20/571089920.db2.gz YOOJNABIXLVMGL-UHFFFAOYSA-N 0 3 400.475 2.918 50 0 HFAAHN CCN1CCN(CCCNC(=O)CSc2ccc(Br)cc2)CC1 ZINC000040089510 571159408 /nfs/dbraw/zinc/15/94/08/571159408.db2.gz AODARUMVJYOFBO-UHFFFAOYSA-N 0 3 400.386 2.685 50 0 HFAAHN CNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000010283131 571299337 /nfs/dbraw/zinc/29/93/37/571299337.db2.gz QPMCQHLZXAYRJO-UHFFFAOYSA-N 0 3 401.532 2.511 50 0 HFAAHN COc1ccccc1CNC(=O)C(=O)NC[C@H](c1cccc2ccccc21)N(C)C ZINC000010333722 571300671 /nfs/dbraw/zinc/30/06/71/571300671.db2.gz TXQLKAAIGGUDDQ-OAQYLSRUSA-N 0 3 405.498 2.884 50 0 HFAAHN CN1CCCN(c2ccc(CNC(=O)CCCc3nc4ccccc4[nH]3)cn2)CC1 ZINC000071808662 571301806 /nfs/dbraw/zinc/30/18/06/571301806.db2.gz LDHKJZRMBRDFOK-UHFFFAOYSA-N 0 3 406.534 2.739 50 0 HFAAHN O=C(NC[C@H]1CCN(C2CC2)C1)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000071846606 571303365 /nfs/dbraw/zinc/30/33/65/571303365.db2.gz UPOICJNSVKIVBZ-MRXNPFEDSA-N 0 3 406.482 2.903 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)CSc3nnnn3C3CCCC3)cc2)CC1 ZINC000009465954 132234086 /nfs/dbraw/zinc/23/40/86/132234086.db2.gz FHCTUJWLNJFNBZ-UHFFFAOYSA-N 0 3 415.567 2.661 50 0 HFAAHN COCCCN1C(=O)C(CC(=O)Nc2ccccc2OC)n2c3ccccc3nc21 ZINC000032581137 523290037 /nfs/dbraw/zinc/29/00/37/523290037.db2.gz GZOHNEJZPORSFV-GOSISDBHSA-N 0 3 408.458 2.998 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1c2c(sc1-n1cnnn1)CCCC2 ZINC000032094809 527531569 /nfs/dbraw/zinc/53/15/69/527531569.db2.gz AZHRHTZZAAIPLE-UHFFFAOYSA-N 0 3 422.558 2.997 50 0 HFAAHN CCN(CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccc(OC)cc2)c1=N ZINC000000789765 557081036 /nfs/dbraw/zinc/08/10/36/557081036.db2.gz WXRNCFBNFDNYST-GOSISDBHSA-N 0 3 412.534 2.713 50 0 HFAAHN CN(C)CCN(C[C@H]1CN(Cc2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691930 557372096 /nfs/dbraw/zinc/37/20/96/557372096.db2.gz VXYOTOZJAQZNIC-JOCHJYFZSA-N 0 3 417.500 2.870 50 0 HFAAHN CCCCNC(=O)N1C[C@H](C(=O)NCCN2CCCC2)C[C@H](c2ccccc2)C1 ZINC000034710433 557390476 /nfs/dbraw/zinc/39/04/76/557390476.db2.gz HOCZJKRAVBLSFU-LEWJYISDSA-N 0 3 400.567 2.814 50 0 HFAAHN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000019744693 558265242 /nfs/dbraw/zinc/26/52/42/558265242.db2.gz VYCKYCQVVNRZER-HXUWFJFHSA-N 0 3 413.566 2.803 50 0 HFAAHN CS(=O)(=O)c1ncc(CN2CCC(N3CCCC3)CC2)n1CC1CCCCC1 ZINC000012304753 558373830 /nfs/dbraw/zinc/37/38/30/558373830.db2.gz YSTLRLGDJFXHDV-UHFFFAOYSA-N 0 3 408.612 2.927 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000012710660 558452148 /nfs/dbraw/zinc/45/21/48/558452148.db2.gz KNEROWNZFXBVPQ-GOSISDBHSA-N 0 3 406.958 2.968 50 0 HFAAHN COc1cccc(CNCCCC2CCCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000023338049 558549956 /nfs/dbraw/zinc/54/99/56/558549956.db2.gz LWYIFWBPDJLXPX-OAQYLSRUSA-N 0 3 406.567 2.827 50 0 HFAAHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cccc(F)c1)C2 ZINC000014541089 558659864 /nfs/dbraw/zinc/65/98/64/558659864.db2.gz UOWLCUITRYTDKO-QGZVFWFLSA-N 0 3 402.539 2.878 50 0 HFAAHN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000014741789 558667413 /nfs/dbraw/zinc/66/74/13/558667413.db2.gz UYRVOBWUJLDQQZ-UHFFFAOYSA-N 0 3 420.513 2.835 50 0 HFAAHN CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H](N(CCO)Cc1ccccc1)C2 ZINC000014745420 558668884 /nfs/dbraw/zinc/66/88/84/558668884.db2.gz RPHXGEWPZXPHOU-HXUWFJFHSA-N 0 3 410.562 2.881 50 0 HFAAHN CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N(CCO)Cc1ccccc1)C2 ZINC000014745419 558668896 /nfs/dbraw/zinc/66/88/96/558668896.db2.gz RPHXGEWPZXPHOU-FQEVSTJZSA-N 0 3 410.562 2.881 50 0 HFAAHN CN1C(=O)N(CCCc2ccncc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014754611 558671856 /nfs/dbraw/zinc/67/18/56/558671856.db2.gz NAIWNHKQOTWCDO-UHFFFAOYSA-N 0 3 408.502 2.649 50 0 HFAAHN CC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)nc1)N1CCc2ccccc2C1 ZINC000027347539 558672259 /nfs/dbraw/zinc/67/22/59/558672259.db2.gz BTEUBAJIMADFMM-JOCHJYFZSA-N 0 3 423.561 2.554 50 0 HFAAHN Cc1ccccc1CN1CCc2nnc(CNC(=O)Cc3cccc(F)c3)n2CC1 ZINC000014951693 558681268 /nfs/dbraw/zinc/68/12/68/558681268.db2.gz BFDQJROWDTXANN-UHFFFAOYSA-N 0 3 407.493 2.643 50 0 HFAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCc3nnc(CNC(=O)Cc4ccccc4)n3CC1)=CC2 ZINC000014958269 558683068 /nfs/dbraw/zinc/68/30/68/558683068.db2.gz OPWUIBOCODMACJ-SFTDATJTSA-N 0 3 419.573 2.988 50 0 HFAAHN COc1cc(CNCc2ccc(Cl)cc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000015064478 558707213 /nfs/dbraw/zinc/70/72/13/558707213.db2.gz SMCJLNGYRMPHFK-FQEVSTJZSA-N 0 3 420.937 2.710 50 0 HFAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cn1nnc(-c2ccccc2F)n1 ZINC000004580796 558766991 /nfs/dbraw/zinc/76/69/91/558766991.db2.gz FSCVDPOZJLMSOL-PXNSSMCTSA-N 0 3 406.465 2.622 50 0 HFAAHN COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc2c1OCO2 ZINC000039399062 558820877 /nfs/dbraw/zinc/82/08/77/558820877.db2.gz ZPLYXMYCHHHAMT-OAQYLSRUSA-N 0 3 412.530 2.925 50 0 HFAAHN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](N(C)Cc1ccsc1)C2 ZINC000019143724 558846468 /nfs/dbraw/zinc/84/64/68/558846468.db2.gz KCDHGXGGGZZKIQ-GOSISDBHSA-N 0 3 415.607 2.732 50 0 HFAAHN O=C(Cn1nc(-c2cccs2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000049549203 558850162 /nfs/dbraw/zinc/85/01/62/558850162.db2.gz HWGLBHVXKJZDIZ-UHFFFAOYSA-N 0 3 408.527 2.753 50 0 HFAAHN CC(C)N1C[C@H](CCN(CCO)CCO)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769356 558911161 /nfs/dbraw/zinc/91/11/61/558911161.db2.gz NMZZSJNIVHAGIM-QHCPKHFHSA-N 0 3 410.558 2.516 50 0 HFAAHN Cc1cc(=O)c(C(=O)N2CCC[C@H](N(C)C)C2)nn1-c1ccccc1C(F)(F)F ZINC000058394348 558924029 /nfs/dbraw/zinc/92/40/29/558924029.db2.gz NTTKQWLZEWYFCU-AWEZNQCLSA-N 0 3 408.424 2.726 50 0 HFAAHN CCCCN1CCCC[C@H]1CNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000058434779 558926883 /nfs/dbraw/zinc/92/68/83/558926883.db2.gz GEGGTOPAMAFVNJ-ZDUSSCGKSA-N 0 3 415.943 2.604 50 0 HFAAHN CCn1c2ccccc2nc(SCC(=O)NCCN(C)Cc2ccccc2)c1=O ZINC000033259821 558928591 /nfs/dbraw/zinc/92/85/91/558928591.db2.gz QIVPFURCQNPXDY-UHFFFAOYSA-N 0 3 410.543 2.757 50 0 HFAAHN Cc1ccc(NC(=O)c2nnc(C(=O)NCCN(C)Cc3ccccc3)s2)cc1 ZINC000033060427 558954922 /nfs/dbraw/zinc/95/49/22/558954922.db2.gz SEQFHGDEEBDUSV-UHFFFAOYSA-N 0 3 409.515 2.961 50 0 HFAAHN CCN1CCN(CCN2CC3(CCN(C/C=C/c4ccccc4)CC3)OC2=O)CC1 ZINC000072411568 558977819 /nfs/dbraw/zinc/97/78/19/558977819.db2.gz BDYQFVUIDXFVBC-RMKNXTFCSA-N 0 3 412.578 2.624 50 0 HFAAHN COc1ccc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)c(Cl)c1OC ZINC000067757389 558992445 /nfs/dbraw/zinc/99/24/45/558992445.db2.gz OMUDBPAVWKXLDJ-RTBURBONSA-N 0 3 419.953 2.862 50 0 HFAAHN Cc1cn2cc(CNC(=O)c3ccc(CN(C)CC4CCCC4)[nH]c3=O)nc2s1 ZINC000077503824 559007474 /nfs/dbraw/zinc/00/74/74/559007474.db2.gz DHDNWEJZGAMFLC-UHFFFAOYSA-N 0 3 413.547 2.945 50 0 HFAAHN CSc1ccc2c(C)cc(N3C[C@H](CO)[C@H](CN4CCN(C)CC4)C3)nc2c1 ZINC000091593705 559072346 /nfs/dbraw/zinc/07/23/46/559072346.db2.gz BDZXGFMDQXMDKT-QZTJIDSGSA-N 0 3 400.592 2.557 50 0 HFAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1nccc(NC(C)C)n1)C2 ZINC000095356613 559079849 /nfs/dbraw/zinc/07/98/49/559079849.db2.gz QMCZWZULWFOLQV-KNKQGSTJSA-N 0 3 403.571 2.641 50 0 HFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1c(C)nn(-c3ccc(F)cc3)c1C)C2 ZINC000095383195 559080608 /nfs/dbraw/zinc/08/06/08/559080608.db2.gz HCWONIGJAGEWIO-YLJYHZDGSA-N 0 3 400.498 2.811 50 0 HFAAHN COc1ccccc1NC(=O)N1CCC2(CCC(=O)N([C@@H]3CCN(C)C3)C2)CC1 ZINC000095515389 559084516 /nfs/dbraw/zinc/08/45/16/559084516.db2.gz WKPDREOHNQDLII-QGZVFWFLSA-N 0 3 400.523 2.636 50 0 HFAAHN Cc1ncc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)c(=O)[n-]1 ZINC000095528324 559086465 /nfs/dbraw/zinc/08/64/65/559086465.db2.gz VJTYCPGUSYRYFX-KRWDZBQOSA-N 0 3 402.926 2.758 50 0 HFAAHN Cc1ncc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c(=O)[n-]1 ZINC000095528324 559086466 /nfs/dbraw/zinc/08/64/66/559086466.db2.gz VJTYCPGUSYRYFX-KRWDZBQOSA-N 0 3 402.926 2.758 50 0 HFAAHN Cc1oc2c(c1C(=O)NC[C@@H]1CCN(Cc3ccc(C)cc3)C1)C1=NCCN1C=N2 ZINC000100696326 559257076 /nfs/dbraw/zinc/25/70/76/559257076.db2.gz OHGXSKWSVFLVSM-SFHVURJKSA-N 0 3 405.502 2.884 50 0 HFAAHN COc1ccc(CN2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1O ZINC000011999651 559270556 /nfs/dbraw/zinc/27/05/56/559270556.db2.gz IEEBVOMNPRWQSE-GOSISDBHSA-N 0 3 403.567 2.946 50 0 HFAAHN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@@H]1[C@H](C(=O)NCCN(C)C)C2 ZINC000104915912 560856476 /nfs/dbraw/zinc/85/64/76/560856476.db2.gz BVDZRQLSHKDDIU-ISKFKSNPSA-N 0 3 422.573 2.549 50 0 HFAAHN CC(C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)Cc1nc(-c2cccs2)no1 ZINC000040106285 568617649 /nfs/dbraw/zinc/61/76/49/568617649.db2.gz RRXFDHMMEZQJEZ-CHWSQXEVSA-N 0 3 405.501 2.979 50 0 HFAAHN CC1(C)CCc2ccccc2[C@H]1NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000095462670 568621736 /nfs/dbraw/zinc/62/17/36/568621736.db2.gz HQFVUOHYWDFFJU-OAQYLSRUSA-N 0 3 413.543 2.526 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000095472819 568628080 /nfs/dbraw/zinc/62/80/80/568628080.db2.gz APPIQNWCIKBERB-IBGZPJMESA-N 0 3 404.514 2.588 50 0 HFAAHN CCOC(=O)c1noc2nc(C)nc(Nc3ccc(CN4CCN(CC)CC4)cc3)c12 ZINC000020992414 568656067 /nfs/dbraw/zinc/65/60/67/568656067.db2.gz UREXEOPZWLFNAB-UHFFFAOYSA-N 0 3 424.505 2.984 50 0 HFAAHN CS[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(C)cc2)C[C@@H]1N1CCCC1 ZINC000095939712 568661492 /nfs/dbraw/zinc/66/14/92/568661492.db2.gz GFJHVVZRIUTWCG-DLBZAZTESA-N 0 3 417.604 2.580 50 0 HFAAHN CN(C)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526669 568709459 /nfs/dbraw/zinc/70/94/59/568709459.db2.gz YTGFYBYWAXVYOA-QFIPXVFZSA-N 0 3 400.523 2.849 50 0 HFAAHN Cc1nn(CC(=O)N2CCN(C3CCCCC3)CC2)c(=O)c2nc(C(C)C)sc21 ZINC000096400134 568749474 /nfs/dbraw/zinc/74/94/74/568749474.db2.gz AACLFKOFYDZTRQ-UHFFFAOYSA-N 0 3 417.579 2.762 50 0 HFAAHN COC(=O)CC[C@H]1CN(C/C=C/c2ccccc2OC)CC[C@H]1N1CCOCC1 ZINC000299788360 568875587 /nfs/dbraw/zinc/87/55/87/568875587.db2.gz RYIMGSWGZCMNCW-HEMPXHLYSA-N 0 3 402.535 2.684 50 0 HFAAHN O=S1(=O)CC[C@@H](NCc2cc3cc4c(cc3nc2-c2ccsc2)OCO4)C1 ZINC000299802859 568876743 /nfs/dbraw/zinc/87/67/43/568876743.db2.gz RFUWXGXDMOHFLM-OAHLLOKOSA-N 0 3 402.497 2.969 50 0 HFAAHN Cc1ccccc1Cn1cc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)nn1 ZINC000012717633 568918097 /nfs/dbraw/zinc/91/80/97/568918097.db2.gz IWGHBFJOKVUHEP-UHFFFAOYSA-N 0 3 415.541 2.950 50 0 HFAAHN O=C(NCCCN1CCc2ccccc2C1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000046239141 568936499 /nfs/dbraw/zinc/93/64/99/568936499.db2.gz MTQCTDHQTKLQJP-NRFANRHFSA-N 0 3 409.555 2.766 50 0 HFAAHN CC1CCN(CCCNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)CC1 ZINC000015731137 568981687 /nfs/dbraw/zinc/98/16/87/568981687.db2.gz OZEWQWQILDKYPN-HNNXBMFYSA-N 0 3 411.593 2.767 50 0 HFAAHN O[C@@H](COc1ccc(Cl)cc1)CN(CCN1CCOCC1)Cc1ccccc1 ZINC000036096725 569090264 /nfs/dbraw/zinc/09/02/64/569090264.db2.gz DTBXFVSFBACKQT-OAQYLSRUSA-N 0 3 404.938 2.914 50 0 HFAAHN Cc1ccc(C)c(CN(CCN2CCOCC2)C[C@H](O)COCc2ccco2)c1 ZINC000036103804 569092335 /nfs/dbraw/zinc/09/23/35/569092335.db2.gz WFVQFNWEZGPOON-QFIPXVFZSA-N 0 3 402.535 2.608 50 0 HFAAHN COc1ccc(CN(CCN(C)C)C(=O)CC(C)C)cc1OS(=O)(=O)C(C)C ZINC000006766472 569114824 /nfs/dbraw/zinc/11/48/24/569114824.db2.gz SRBRDSFANBYTCL-UHFFFAOYSA-N 0 3 414.568 2.749 50 0 HFAAHN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)NCCN1CCCC1 ZINC000006807779 569132064 /nfs/dbraw/zinc/13/20/64/569132064.db2.gz ALMWUMLEERLWJY-SFHVURJKSA-N 0 3 407.518 2.577 50 0 HFAAHN CN1CCN(CCCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)CC1 ZINC000064968127 569137914 /nfs/dbraw/zinc/13/79/14/569137914.db2.gz VCONTBCSIIFHBR-UHFFFAOYSA-N 0 3 406.530 2.980 50 0 HFAAHN CCCN1CCN(CCNC(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)CC1 ZINC000064989165 569145729 /nfs/dbraw/zinc/14/57/29/569145729.db2.gz DTBMYDOBQWFJSG-UHFFFAOYSA-N 0 3 422.577 2.501 50 0 HFAAHN O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NCCN1CCCCCC1 ZINC000065061723 569165849 /nfs/dbraw/zinc/16/58/49/569165849.db2.gz TXFMJXDWYSBLEK-UHFFFAOYSA-N 0 3 413.609 2.531 50 0 HFAAHN Cc1ccc(-c2cc3c(=O)n(CCC(=O)NCCN4CCCCC4)ccn3n2)c(C)c1 ZINC000065184265 569191359 /nfs/dbraw/zinc/19/13/59/569191359.db2.gz IODJZHLECNXYDY-UHFFFAOYSA-N 0 3 421.545 2.772 50 0 HFAAHN O=C(NCCN1CCCCCC1)C1CCN(c2cncnc2N2CCCCC2)CC1 ZINC000065226577 569199951 /nfs/dbraw/zinc/19/99/51/569199951.db2.gz ZEQHBMNNJUYDLU-UHFFFAOYSA-N 0 3 414.598 2.676 50 0 HFAAHN C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000007486451 569240946 /nfs/dbraw/zinc/24/09/46/569240946.db2.gz KEDCOBLAHOOKIM-GOSISDBHSA-N 0 3 415.559 2.547 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000249698661 569255437 /nfs/dbraw/zinc/25/54/37/569255437.db2.gz WAKNLWWSCDEJDY-IEBWSBKVSA-N 0 3 400.571 2.648 50 0 HFAAHN Cc1ccc(-c2noc([C@H](C)N3CCC(N4CCC[C@H]4C(N)=O)CC3)n2)cc1F ZINC000252679591 569319830 /nfs/dbraw/zinc/31/98/30/569319830.db2.gz OQEJKKOSLGLSTG-KSSFIOAISA-N 0 3 401.486 2.659 50 0 HFAAHN O=c1[nH]c2ccccc2n1C1CCN(C2=NCc3cnn(-c4ccccc4)c3N2)CC1 ZINC000078822839 569420753 /nfs/dbraw/zinc/42/07/53/569420753.db2.gz ZIPMPRLOCMDZFH-UHFFFAOYSA-N 0 3 413.485 2.943 50 0 HFAAHN CN(C)C[C@H](CNC(=O)Nc1ccccc1N1CCCC1=O)[C@H](O)c1ccccc1 ZINC000040104186 571164958 /nfs/dbraw/zinc/16/49/58/571164958.db2.gz WDWHNWKKIORFPD-PGRDOPGGSA-N 0 3 410.518 2.846 50 0 HFAAHN CC(=O)Nc1cc(NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)ccc1F ZINC000040104595 571165478 /nfs/dbraw/zinc/16/54/78/571165478.db2.gz OYJNNSUXMXLEOI-OXQOHEQNSA-N 0 3 402.470 2.817 50 0 HFAAHN CCN1CCN(Cc2ccc(CNC(=O)c3cncc(Br)c3)cc2)CC1 ZINC000040115271 571173124 /nfs/dbraw/zinc/17/31/24/571173124.db2.gz YBXGVGBSGJGQOR-UHFFFAOYSA-N 0 3 417.351 2.912 50 0 HFAAHN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000040157800 571204187 /nfs/dbraw/zinc/20/41/87/571204187.db2.gz YFJKAOWTBVRELA-OWCLPIDISA-N 0 3 415.625 2.982 50 0 HFAAHN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000040157800 571204188 /nfs/dbraw/zinc/20/41/88/571204188.db2.gz YFJKAOWTBVRELA-OWCLPIDISA-N 0 3 415.625 2.982 50 0 HFAAHN CN(C)[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)c1cccc2ccccc21 ZINC000010333573 571300487 /nfs/dbraw/zinc/30/04/87/571300487.db2.gz HPKBGLSGZPBTOO-HXUWFJFHSA-N 0 3 419.481 2.604 50 0 HFAAHN CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)c1 ZINC000032733331 520055299 /nfs/dbraw/zinc/05/52/99/520055299.db2.gz WIPRYPZJMRCSDH-HXUWFJFHSA-N 0 3 403.548 2.580 50 0 HFAAHN CCOC(=O)C1(CCOC)CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000020601374 520457259 /nfs/dbraw/zinc/45/72/59/520457259.db2.gz BGNXXABLWXFACC-UHFFFAOYSA-N 0 3 415.534 2.666 50 0 HFAAHN CN(C)CCNC(=O)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684595 557387709 /nfs/dbraw/zinc/38/77/09/557387709.db2.gz ACKFOXFIURATAD-UHFFFAOYSA-N 0 3 400.954 2.954 50 0 HFAAHN O=C(c1cccs1)N1CCC(N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000004727878 557587681 /nfs/dbraw/zinc/58/76/81/557587681.db2.gz QHJMPFZHLMMEQB-INIZCTEOSA-N 0 3 417.918 2.928 50 0 HFAAHN COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccccc1F ZINC000004998052 557622995 /nfs/dbraw/zinc/62/29/95/557622995.db2.gz ZVLAYBLJMJZUAC-UHFFFAOYSA-N 0 3 403.483 2.819 50 0 HFAAHN CCOc1c(Br)cc(CNCCCSc2nnnn2C)cc1OC ZINC000006767747 557720510 /nfs/dbraw/zinc/72/05/10/557720510.db2.gz IATNEHYDIUNSNZ-UHFFFAOYSA-N 0 3 416.345 2.652 50 0 HFAAHN COc1ccc(CNCCSc2nnnn2-c2ccccc2)c(OC)c1OC ZINC000009249994 557832667 /nfs/dbraw/zinc/83/26/67/557832667.db2.gz RRDXDOONLCJMKU-UHFFFAOYSA-N 0 3 401.492 2.570 50 0 HFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000011765758 558273828 /nfs/dbraw/zinc/27/38/28/558273828.db2.gz UALWNMAKMJTNRI-JOCHJYFZSA-N 0 3 402.535 2.869 50 0 HFAAHN CC1(C)[C@@H]2C[C@H]1C(CN1CCc3nnc(CCNC(=O)c4ccoc4)n3CC1)=CC2 ZINC000011788405 558276672 /nfs/dbraw/zinc/27/66/72/558276672.db2.gz SWWIPZORWPBDJM-OALUTQOASA-N 0 3 409.534 2.694 50 0 HFAAHN C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2CN(C)C2CCOCC2)C[C@H](C)O1 ZINC000011818960 558282083 /nfs/dbraw/zinc/28/20/83/558282083.db2.gz FREXCWHEPCHBED-GASCZTMLSA-N 0 3 420.941 2.848 50 0 HFAAHN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](N(C)CCc3ccccn3)C2)c1C ZINC000011937564 558301332 /nfs/dbraw/zinc/30/13/32/558301332.db2.gz UZTRXWXTYVYGIC-LJQANCHMSA-N 0 3 412.534 2.982 50 0 HFAAHN Cc1cnc(CNCc2ccc(OC[C@H](O)CN(C)Cc3ccccc3)cc2)cn1 ZINC000012051366 558314162 /nfs/dbraw/zinc/31/41/62/558314162.db2.gz IMQUJJZIFWMHIX-HSZRJFAPSA-N 0 3 406.530 2.947 50 0 HFAAHN CN(C(=O)CCn1cnc2ccccc2c1=O)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012053410 558314883 /nfs/dbraw/zinc/31/48/83/558314883.db2.gz CYEQUSAJYINJTH-NRFANRHFSA-N 0 3 418.541 2.952 50 0 HFAAHN CC[C@@H](C)CN1CCc2c(C(=O)N3CCc4ccccc4C3)c(OC)cc(=O)n2CC1 ZINC000012099178 558325596 /nfs/dbraw/zinc/32/55/96/558325596.db2.gz YDNHWLQREYOTIU-GOSISDBHSA-N 0 3 423.557 2.960 50 0 HFAAHN COc1ccccc1OCC(=O)NC[C@@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000012314149 558377882 /nfs/dbraw/zinc/37/78/82/558377882.db2.gz CRVJAVGYCFLXGC-INIZCTEOSA-N 0 3 410.474 2.639 50 0 HFAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cc(C)n[nH]1 ZINC000012315217 558378593 /nfs/dbraw/zinc/37/85/93/558378593.db2.gz HMMPLOAKJGRWHA-UHFFFAOYSA-N 0 3 400.523 2.728 50 0 HFAAHN COCCN(CC1CCN(Cc2ccccc2OC)CC1)C(=O)c1cc(C)[nH]n1 ZINC000012315217 558378595 /nfs/dbraw/zinc/37/85/95/558378595.db2.gz HMMPLOAKJGRWHA-UHFFFAOYSA-N 0 3 400.523 2.728 50 0 HFAAHN COC(=O)CC[C@H](C)N1CCC(Oc2cc(OC)ccc2C(=O)NC2CC2)CC1 ZINC000012429640 558404520 /nfs/dbraw/zinc/40/45/20/558404520.db2.gz UGEVUGZQQRFGJB-HNNXBMFYSA-N 0 3 404.507 2.772 50 0 HFAAHN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 ZINC000012431438 558405975 /nfs/dbraw/zinc/40/59/75/558405975.db2.gz DRQOPDXOTFTBLV-OAQYLSRUSA-N 0 3 420.561 2.887 50 0 HFAAHN COc1ccc(C(=O)NCCN(C)C)cc1OC1CCN(C(=O)C2CCCC2)CC1 ZINC000020782576 558413101 /nfs/dbraw/zinc/41/31/01/558413101.db2.gz JRUWEMZMUZIUNT-UHFFFAOYSA-N 0 3 417.550 2.547 50 0 HFAAHN CCOC(=O)N1CCC(NC(=O)c2ccc(OC3CCN(C)CC3)c(OC)c2)CC1 ZINC000012581130 558432694 /nfs/dbraw/zinc/43/26/94/558432694.db2.gz HAPXTFWKMQZWFX-UHFFFAOYSA-N 0 3 419.522 2.519 50 0 HFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1C ZINC000021795719 558449652 /nfs/dbraw/zinc/44/96/52/558449652.db2.gz YQXGAGPSDKCCAE-UHFFFAOYSA-N 0 3 423.565 2.508 50 0 HFAAHN COCCNC(=O)CCC1CCN(Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000012758356 558460350 /nfs/dbraw/zinc/46/03/50/558460350.db2.gz DZSTVZGNUALREB-UHFFFAOYSA-N 0 3 414.550 2.695 50 0 HFAAHN O=C(C1=NNC(=O)CC1)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC000012760080 558460790 /nfs/dbraw/zinc/46/07/90/558460790.db2.gz YIPKDYJLAAVNSI-KRWDZBQOSA-N 0 3 402.926 2.667 50 0 HFAAHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@@H](C)c1ccccc1C ZINC000013039719 558506282 /nfs/dbraw/zinc/50/62/82/558506282.db2.gz UJFIEOQENZVQNN-HNNXBMFYSA-N 0 3 405.520 2.543 50 0 HFAAHN CCc1ccc([C@@H](CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)N(C)C)cc1 ZINC000022798738 558512539 /nfs/dbraw/zinc/51/25/39/558512539.db2.gz BXKLJFVCDJZMLG-RBBKRZOGSA-N 0 3 418.607 2.814 50 0 HFAAHN CCC[C@H]1NC(=O)N(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1=O ZINC000023256918 558546463 /nfs/dbraw/zinc/54/64/63/558546463.db2.gz IJWLCUOKSPWAKC-QGZVFWFLSA-N 0 3 412.456 2.891 50 0 HFAAHN COc1cccc(CNCCCC2CCCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000023338047 558549945 /nfs/dbraw/zinc/54/99/45/558549945.db2.gz LWYIFWBPDJLXPX-NRFANRHFSA-N 0 3 406.567 2.827 50 0 HFAAHN COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)N2CCCC2)cc1 ZINC000023486695 558559898 /nfs/dbraw/zinc/55/98/98/558559898.db2.gz HSPHYQJDKGYQJT-JTHBVZDNSA-N 0 3 421.541 2.997 50 0 HFAAHN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000024688126 558607699 /nfs/dbraw/zinc/60/76/99/558607699.db2.gz HZYLTKBZUXPAGW-GOSISDBHSA-N 0 3 404.532 2.689 50 0 HFAAHN O=C(CCNC(=O)c1ccc(F)cc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000025134310 558632195 /nfs/dbraw/zinc/63/21/95/558632195.db2.gz HVNLSHZBUIIJBM-UHFFFAOYSA-N 0 3 401.457 2.866 50 0 HFAAHN COc1ccc([C@@H](CNC[C@@H](O)COc2ccc(CCC(C)=O)cc2)N(C)C)cc1 ZINC000025637845 558646339 /nfs/dbraw/zinc/64/63/39/558646339.db2.gz QPOVKMZOMXTZPS-ZJSXRUAMSA-N 0 3 414.546 2.849 50 0 HFAAHN COCCN1C(=O)N(Cc2ccccc2)C2(CCN([C@H](C)CSC)CC2)C1=O ZINC000014533329 558657171 /nfs/dbraw/zinc/65/71/71/558657171.db2.gz CFBJAHHPBSEGIB-QGZVFWFLSA-N 0 3 405.564 2.683 50 0 HFAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C ZINC000014733586 558666336 /nfs/dbraw/zinc/66/63/36/558666336.db2.gz OFLXZHIRWPKOGW-GOSISDBHSA-N 0 3 417.550 2.985 50 0 HFAAHN CCCN(CCC)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000027270181 558671581 /nfs/dbraw/zinc/67/15/81/558671581.db2.gz RROFPKGQUXGNCV-CALCHBBNSA-N 0 3 411.568 2.545 50 0 HFAAHN CCCN1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccc(COC)o3)n2CC1 ZINC000014969356 558686879 /nfs/dbraw/zinc/68/68/79/558686879.db2.gz RNRFGYGHCJLBOY-QGZVFWFLSA-N 0 3 403.527 2.803 50 0 HFAAHN Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 ZINC000015671272 558748559 /nfs/dbraw/zinc/74/85/59/558748559.db2.gz DSRVBNXUJIFXJW-UHFFFAOYSA-N 0 3 421.954 2.550 50 0 HFAAHN Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3=O)c2c1 ZINC000018088259 558830982 /nfs/dbraw/zinc/83/09/82/558830982.db2.gz IWMMQAJWIIXBND-LJQANCHMSA-N 0 3 405.454 2.712 50 0 HFAAHN CCc1nnc(C(=O)Nc2cccc(C(=O)NCCN3CCCC[C@@H]3C)c2)s1 ZINC000033022463 558837532 /nfs/dbraw/zinc/83/75/32/558837532.db2.gz UKTCFTJWGKFTLD-AWEZNQCLSA-N 0 3 401.536 2.957 50 0 HFAAHN COc1cc(CN2CCOc3ccc([C@@](C)(O)CN(C)C)cc3C2)cc(OC)c1 ZINC000055060583 558871270 /nfs/dbraw/zinc/87/12/70/558871270.db2.gz JAUDVFAZECKTPP-QHCPKHFHSA-N 0 3 400.519 2.868 50 0 HFAAHN CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2ccccc2OC)CC1 ZINC000004669447 558877172 /nfs/dbraw/zinc/87/71/72/558877172.db2.gz MQQGDDBAOFZOIC-UHFFFAOYSA-N 0 3 408.568 2.877 50 0 HFAAHN Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000058101417 558898918 /nfs/dbraw/zinc/89/89/18/558898918.db2.gz MTXBAALGHPORPO-UHFFFAOYSA-N 0 3 422.558 2.980 50 0 HFAAHN CN(Cc1ccccc1)C1(CNC(=O)CCCn2cncn2)Cc2ccccc2C1 ZINC000019534925 558913519 /nfs/dbraw/zinc/91/35/19/558913519.db2.gz IXHHCDIBMWYGRL-UHFFFAOYSA-N 0 3 403.530 2.844 50 0 HFAAHN O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCN1CCCCC1 ZINC000033062132 558955912 /nfs/dbraw/zinc/95/59/12/558955912.db2.gz HTAGRZFABZZDCA-UHFFFAOYSA-N 0 3 421.954 2.979 50 0 HFAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)c(C)c1 ZINC000067630248 558990492 /nfs/dbraw/zinc/99/04/92/558990492.db2.gz NBZAHLNHIFGALB-UHFFFAOYSA-N 0 3 423.565 2.508 50 0 HFAAHN O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCCNCC1 ZINC000067713507 558991940 /nfs/dbraw/zinc/99/19/40/558991940.db2.gz DMWUDJMTRDNSIK-UHFFFAOYSA-N 0 3 405.546 2.671 50 0 HFAAHN COc1cc2c(cc1OC)CN(Cc1coc([O-])c(C[NH+]3CCCCC3)c1=O)CC2 ZINC000100797115 559268172 /nfs/dbraw/zinc/26/81/72/559268172.db2.gz JRYMQDYTPCYGTP-UHFFFAOYSA-N 0 3 414.502 2.907 50 0 biogenic HFAAHN C[C@@H]1CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCO1 ZINC000008728700 560638023 /nfs/dbraw/zinc/63/80/23/560638023.db2.gz DPPXTJKGHFDFFN-HXUWFJFHSA-N 0 3 408.546 2.668 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000012093256 560888933 /nfs/dbraw/zinc/88/89/33/560888933.db2.gz LHUKTCVGAAHQMS-GOSISDBHSA-N 0 3 406.596 2.993 50 0 HFAAHN O=S(=O)(c1ccc(OCCN2CCC[C@H]2c2ccsc2)cc1)N1CCOCC1 ZINC000048291102 568435345 /nfs/dbraw/zinc/43/53/45/568435345.db2.gz XNVYIVANNCTDGF-FQEVSTJZSA-N 0 3 422.572 2.985 50 0 HFAAHN Cc1cccc(CNC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000049400862 568447543 /nfs/dbraw/zinc/44/75/43/568447543.db2.gz YRHRSWYQEYIRCZ-UHFFFAOYSA-N 0 3 416.525 2.735 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3cccc(C)c3)o2)CC1 ZINC000020514527 568622500 /nfs/dbraw/zinc/62/25/00/568622500.db2.gz XHLXSUPSGXZYMH-LJAQVGFWSA-N 0 3 417.575 2.653 50 0 HFAAHN CN1CCN(CCCNC(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)CC1 ZINC000020514607 568622549 /nfs/dbraw/zinc/62/25/49/568622549.db2.gz KWMZEYPNNYBDLC-MUUNZHRXSA-N 0 3 423.966 2.608 50 0 HFAAHN CO[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006411 568682587 /nfs/dbraw/zinc/68/25/87/568682587.db2.gz ATVZNUIDLGCRCU-RBUKOAKNSA-N 0 3 405.539 2.893 50 0 HFAAHN CCN(CC)[C@@H](CNC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)c1cccc(OC)c1 ZINC000239667700 568729857 /nfs/dbraw/zinc/72/98/57/568729857.db2.gz BRNKSIMEXWNEMR-MOPGFXCFSA-N 0 3 423.554 2.734 50 0 HFAAHN Cc1ccccc1N1CCN(Cc2nc(C(=O)NCCN3CCCC3)cs2)CC1 ZINC000034685202 568733973 /nfs/dbraw/zinc/73/39/73/568733973.db2.gz IKWAJCXZYFBHOJ-UHFFFAOYSA-N 0 3 413.591 2.599 50 0 HFAAHN CCc1nc2cc(N3CCC(C(=O)NCCN4CCCCC4)CC3)cnc2nc1CC ZINC000096387436 568744449 /nfs/dbraw/zinc/74/44/49/568744449.db2.gz MZYPJESKOHZRIF-UHFFFAOYSA-N 0 3 424.593 2.968 50 0 HFAAHN COc1ccc2c(c1)N1CCN(c3ccc(C)cc3)C[C@H]1[C@H](C(=O)NCCN(C)C)C2 ZINC000230129363 568849572 /nfs/dbraw/zinc/84/95/72/568849572.db2.gz BVDZRQLSHKDDIU-VWNXMTODSA-N 0 3 422.573 2.549 50 0 HFAAHN Cc1c(C(=O)NCCN2CCCC2)cnn1-c1ncc2c(n1)-c1ccccc1CCC2 ZINC000299759247 568873102 /nfs/dbraw/zinc/87/31/02/568873102.db2.gz DEJDQUXJUQTORB-UHFFFAOYSA-N 0 3 416.529 2.952 50 0 HFAAHN CN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C1CCN(C)CC1 ZINC000003304220 568877306 /nfs/dbraw/zinc/87/73/06/568877306.db2.gz DRTARTHRDNUWEN-UHFFFAOYSA-N 0 3 413.543 2.604 50 0 HFAAHN Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000012742299 568929436 /nfs/dbraw/zinc/92/94/36/568929436.db2.gz XSNNJEVCOVJOGX-IBGZPJMESA-N 0 3 407.543 2.933 50 0 HFAAHN CCOC(=O)c1sc2nc(C)nc(NC[C@H](C)N3CCN(CC)CC3)c2c1C ZINC000059389336 568952934 /nfs/dbraw/zinc/95/29/34/568952934.db2.gz VJBVVKOTRYRPKC-ZDUSSCGKSA-N 0 3 405.568 2.923 50 0 HFAAHN Cc1ccc(CN2CCc3nnc([C@H](NC(=O)[C@H]4CCOC4)C(C)C)n3CC2)s1 ZINC000020166969 569007966 /nfs/dbraw/zinc/00/79/66/569007966.db2.gz XUZIYTXDVCZTOG-QFBILLFUSA-N 0 3 417.579 2.556 50 0 HFAAHN CN1CCN(CCCNC(=O)Nc2cccnc2-n2cccn2)[C@@H](c2ccccc2)C1 ZINC000229753921 569040737 /nfs/dbraw/zinc/04/07/37/569040737.db2.gz DKYMURWGBMPBJE-OAQYLSRUSA-N 0 3 419.533 2.768 50 0 HFAAHN COc1cc(-c2cc(CN(CCN(C)C)C(=O)NC(C)C)no2)cc(OC)c1OC ZINC000036012827 569077443 /nfs/dbraw/zinc/07/74/43/569077443.db2.gz KZLPTGGMNGYMPK-UHFFFAOYSA-N 0 3 420.510 2.849 50 0 HFAAHN CN1CCN(CCCNC(=O)c2ccc(-c3noc(-c4ccccc4)n3)s2)CC1 ZINC000065063020 569166893 /nfs/dbraw/zinc/16/68/93/569166893.db2.gz XCMATCUGAODSOH-UHFFFAOYSA-N 0 3 411.531 2.832 50 0 HFAAHN CCc1nc2c(c(=O)n1CC(=O)NCc1ccccc1)CN(Cc1ccccc1)CC2 ZINC000065153487 569187504 /nfs/dbraw/zinc/18/75/04/569187504.db2.gz FPJXHFMTMRAXHV-UHFFFAOYSA-N 0 3 416.525 2.680 50 0 HFAAHN O=C(CCc1ccnc(N2CCOCC2)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000065269725 569213937 /nfs/dbraw/zinc/21/39/37/569213937.db2.gz OEAFULFLRQLJTF-UHFFFAOYSA-N 0 3 408.546 2.632 50 0 HFAAHN C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000007486452 569240950 /nfs/dbraw/zinc/24/09/50/569240950.db2.gz KEDCOBLAHOOKIM-SFHVURJKSA-N 0 3 415.559 2.547 50 0 HFAAHN CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H](CC)CN1CC(C)(C)O ZINC000170613514 569246945 /nfs/dbraw/zinc/24/69/45/569246945.db2.gz NLYBRWCUVSFPIP-CABCVRRESA-N 0 3 410.946 2.917 50 0 HFAAHN CC[C@H]1CN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](CC)CN1CC(C)(C)O ZINC000252533101 569292740 /nfs/dbraw/zinc/29/27/40/569292740.db2.gz FVMMINMOUJMXMZ-KBPBESRZSA-N 0 3 405.465 2.923 50 0 HFAAHN CN(C)CCNC(=O)c1ccccc1N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000037525126 569304040 /nfs/dbraw/zinc/30/40/40/569304040.db2.gz JOASHMUJZPNNOB-UHFFFAOYSA-N 0 3 422.573 2.696 50 0 HFAAHN CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000007850195 569314665 /nfs/dbraw/zinc/31/46/65/569314665.db2.gz ZEAGUVQSVVSOCG-UHFFFAOYSA-N 0 3 415.559 2.853 50 0 HFAAHN Cc1cccc(N2CCN(CCCNc3nn4nnnc4c4ccccc43)C[C@@H]2C)c1 ZINC000013364321 569412130 /nfs/dbraw/zinc/41/21/30/569412130.db2.gz BNGSWBMWGUADEK-SFHVURJKSA-N 0 3 416.533 2.994 50 0 HFAAHN COc1ccccc1-c1cc(C(=O)N2CCN(CCn3c(C)ccc3C)CC2)n[nH]1 ZINC000013366665 569412381 /nfs/dbraw/zinc/41/23/81/569412381.db2.gz ZTVRUKZLOGFXEW-UHFFFAOYSA-N 0 3 407.518 2.962 50 0 HFAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)CCc2c(C)nc3ncnn3c2C)C1 ZINC000670473296 571103588 /nfs/dbraw/zinc/10/35/88/571103588.db2.gz OMJYQVYSLCQBPX-LJQANCHMSA-N 0 3 406.534 2.588 50 0 HFAAHN C[C@H](NC(=O)c1ccc(Br)o1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000040154928 571202334 /nfs/dbraw/zinc/20/23/34/571202334.db2.gz ZFCUJLBNGOSOAR-DZGCQCFKSA-N 0 3 420.307 2.551 50 0 HFAAHN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000040157802 571204238 /nfs/dbraw/zinc/20/42/38/571204238.db2.gz YFJKAOWTBVRELA-BZUAXINKSA-N 0 3 415.625 2.982 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)c1cn(C2CC2)c2c(cc(F)c(F)c2OC)c1=O ZINC000009048204 571215837 /nfs/dbraw/zinc/21/58/37/571215837.db2.gz SDWPSAAWQSGXEG-ZDUSSCGKSA-N 0 3 405.445 2.837 50 0 HFAAHN COCCN1CCc2c(cccc2-n2nnc(C(=O)NC3CCC(C)CC3)c2C)C1 ZINC000069872202 571247840 /nfs/dbraw/zinc/24/78/40/571247840.db2.gz UXORNCMGFLTJSY-UHFFFAOYSA-N 0 3 411.550 2.889 50 0 HFAAHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 ZINC000540634608 571317550 /nfs/dbraw/zinc/31/75/50/571317550.db2.gz SCKBOTGNFRIIMB-APWZRJJASA-N 0 3 416.547 2.851 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(CN4C(=O)CCC4=O)cc3)cc2)CC1 ZINC000011948972 132352592 /nfs/dbraw/zinc/35/25/92/132352592.db2.gz BPJCTXRPFKLFPL-UHFFFAOYSA-N 0 3 420.513 2.730 50 0 HFAAHN Cc1noc2ncnc(N3CCC[C@H](C(=O)N4CCN(C5CCCCC5)CC4)C3)c12 ZINC000020945225 132471710 /nfs/dbraw/zinc/47/17/10/132471710.db2.gz HBSWVKMBMOPKJI-KRWDZBQOSA-N 0 3 412.538 2.620 50 0 HFAAHN CCN(CC)[C@@H](CNS(=O)(=O)c1cc(OC)ccc1OC)Cc1ccccc1 ZINC000032824068 520839406 /nfs/dbraw/zinc/83/94/06/520839406.db2.gz QHNJZZGNVZDIFO-GOSISDBHSA-N 0 3 406.548 2.935 50 0 HFAAHN CCOc1ccc(S(=O)(=O)NCc2ccccc2CN2CCN(CC)CC2)cc1 ZINC000032916507 521204426 /nfs/dbraw/zinc/20/44/26/521204426.db2.gz TZFJNFUQCYJOAY-UHFFFAOYSA-N 0 3 417.575 2.701 50 0 HFAAHN COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCC[C@H](C)C1 ZINC000045744840 523507497 /nfs/dbraw/zinc/50/74/97/523507497.db2.gz RSDJLFMZGVKTPB-ZDUSSCGKSA-N 0 3 405.358 2.858 50 0 HFAAHN Cc1ccc(N2C(=O)N(CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)C(=O)[C@@H]2C)cc1 ZINC000032819939 524924321 /nfs/dbraw/zinc/92/43/21/524924321.db2.gz FHOXANYKJKSTFY-ICSRJNTNSA-N 0 3 420.513 2.543 50 0 HFAAHN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032090209 526563905 /nfs/dbraw/zinc/56/39/05/526563905.db2.gz WLSVWHPHNLEDAF-NRFANRHFSA-N 0 3 420.513 2.948 50 0 HFAAHN CCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OCC ZINC000008253831 557778103 /nfs/dbraw/zinc/77/81/03/557778103.db2.gz DLYIJNCVLVXFAE-UHFFFAOYSA-N 0 3 416.345 2.652 50 0 HFAAHN Cc1nn(CC(=O)N2CCC[C@H](N(C)Cc3ccccc3)C2)c(=O)c2ccccc12 ZINC000011816455 558279829 /nfs/dbraw/zinc/27/98/29/558279829.db2.gz HDJJXFOUSBBPPG-FQEVSTJZSA-N 0 3 404.514 2.828 50 0 HFAAHN CC[C@H](C)CN1CCc2c(C(=O)N3CCc4ccccc4C3)c(OC)cc(=O)n2CC1 ZINC000012099179 558325622 /nfs/dbraw/zinc/32/56/22/558325622.db2.gz YDNHWLQREYOTIU-SFHVURJKSA-N 0 3 423.557 2.960 50 0 HFAAHN Cc1cc(C)cc(CN2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)c1 ZINC000020785155 558413432 /nfs/dbraw/zinc/41/34/32/558413432.db2.gz DFSLNOJSSUOOQQ-GOSISDBHSA-N 0 3 404.518 2.839 50 0 HFAAHN COc1ccc(CN2CCC(O)CC2)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012463898 558419901 /nfs/dbraw/zinc/41/99/01/558419901.db2.gz DFNOKCSPYOFKSG-QFIPXVFZSA-N 0 3 414.546 2.524 50 0 HFAAHN COC(=O)C1CCN(C[C@@H](O)COc2ccc(CNCc3ccccc3)cc2)CC1 ZINC000012708755 558451081 /nfs/dbraw/zinc/45/10/81/558451081.db2.gz YFVOYXBEGUSUKX-JOCHJYFZSA-N 0 3 412.530 2.601 50 0 HFAAHN CCc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)N(C)C)cc1 ZINC000012796731 558469330 /nfs/dbraw/zinc/46/93/30/558469330.db2.gz XZKMKCWTGREZQV-NRFANRHFSA-N 0 3 417.575 2.840 50 0 HFAAHN COc1cc(=O)n2c(c1C(=O)N1CCCC1)CCN(C[C@H](C)c1ccccc1)CC2 ZINC000023159586 558540134 /nfs/dbraw/zinc/54/01/34/558540134.db2.gz NDYXXQVRUPTBPU-SFHVURJKSA-N 0 3 409.530 2.755 50 0 HFAAHN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000023739574 558572601 /nfs/dbraw/zinc/57/26/01/558572601.db2.gz VPMMWAZWHJVFMQ-IBGZPJMESA-N 0 3 412.534 2.585 50 0 HFAAHN CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000014533568 558657210 /nfs/dbraw/zinc/65/72/10/558657210.db2.gz JFNBTJXUNCPRIA-UHFFFAOYSA-N 0 3 421.497 2.887 50 0 HFAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014540746 558659896 /nfs/dbraw/zinc/65/98/96/558659896.db2.gz VGUMLWJYHIORCO-SFHVURJKSA-N 0 3 417.550 2.780 50 0 HFAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccs1)CC2 ZINC000014733565 558666111 /nfs/dbraw/zinc/66/61/11/558666111.db2.gz XZUMSHFIEZTKAC-UHFFFAOYSA-N 0 3 414.531 2.589 50 0 HFAAHN CN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000014747622 558669732 /nfs/dbraw/zinc/66/97/32/558669732.db2.gz FKNVHVNHLAXKAV-UHFFFAOYSA-N 0 3 421.497 2.887 50 0 HFAAHN COc1cccc([C@@H](CNC(=O)CCNC(=O)c2ccsc2)N2CCCC2)c1 ZINC000027341408 558672031 /nfs/dbraw/zinc/67/20/31/558672031.db2.gz UJFBJTJFYUGHLA-LJQANCHMSA-N 0 3 401.532 2.830 50 0 HFAAHN CCOC(=O)N1CCN(C(=O)[C@@H]2CC23CCN(Cc2ccc(OC)cc2)CC3)CC1 ZINC000014951274 558680980 /nfs/dbraw/zinc/68/09/80/558680980.db2.gz ZMTZEJOCEUPSFX-FQEVSTJZSA-N 0 3 415.534 2.598 50 0 HFAAHN NC(=O)[C@@H]1CCCN(Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000014967918 558686243 /nfs/dbraw/zinc/68/62/43/558686243.db2.gz SUKKHFVHJGQEET-QGZVFWFLSA-N 0 3 404.470 2.965 50 0 HFAAHN CC(=O)Nc1ccc(CN2CCC[C@H](n3cc(C(=O)NC4CCCC4)nn3)C2)cc1 ZINC000014994844 558695760 /nfs/dbraw/zinc/69/57/60/558695760.db2.gz LINHULXWTZYRQP-FQEVSTJZSA-N 0 3 410.522 2.746 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000015062887 558705608 /nfs/dbraw/zinc/70/56/08/558705608.db2.gz REVLEAQCELZTKU-GOSISDBHSA-N 0 3 411.550 2.796 50 0 HFAAHN CN(C)S(=O)(=O)c1ccc(NC(=O)CCN2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000028852743 558706159 /nfs/dbraw/zinc/70/61/59/558706159.db2.gz STGQPBRPCXQOBB-CYBMUJFWSA-N 0 3 407.458 2.540 50 0 HFAAHN COc1nc2ccccc2cc1CN1CC[C@@H](N(C)CCc2ccccn2)[C@H](O)C1 ZINC000015070653 558712584 /nfs/dbraw/zinc/71/25/84/558712584.db2.gz QWIZDTPCGMYRGM-DHIUTWEWSA-N 0 3 406.530 2.748 50 0 HFAAHN CC(C)C(=O)NCCc1nnc2n1CCN(Cc1cccc(-c3ccco3)c1)CC2 ZINC000015072178 558713551 /nfs/dbraw/zinc/71/35/51/558713551.db2.gz OJPNYHUMIUXGNP-UHFFFAOYSA-N 0 3 407.518 2.911 50 0 HFAAHN CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Br)c1OCC(N)=O ZINC000016651612 558798028 /nfs/dbraw/zinc/79/80/28/558798028.db2.gz UIIIMQFYFTXLTD-INIZCTEOSA-N 0 3 423.307 2.535 50 0 HFAAHN O=C(CSc1nnc(C(=O)Nc2ccccc2)s1)NCCN1CCCCCC1 ZINC000033011986 558831607 /nfs/dbraw/zinc/83/16/07/558831607.db2.gz CTNLDOGUKVZQPC-UHFFFAOYSA-N 0 3 419.576 2.875 50 0 HFAAHN O=C(NCCN1CCCC1)c1cccc(Cn2c(=O)c3cccn3c3cccnc32)c1 ZINC000033018546 558834770 /nfs/dbraw/zinc/83/47/70/558834770.db2.gz XJKUFCOWRMBMCI-UHFFFAOYSA-N 0 3 415.497 2.523 50 0 HFAAHN Cn1ncc(Br)c1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004689292 558899300 /nfs/dbraw/zinc/89/93/00/558899300.db2.gz GCXMMFKKIBENMA-UHFFFAOYSA-N 0 3 407.356 2.909 50 0 HFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000082230568 559042942 /nfs/dbraw/zinc/04/29/42/559042942.db2.gz SOFIQDOMKVHSST-UHFFFAOYSA-N 0 3 415.925 2.766 50 0 HFAAHN Cc1c2cc(S(=O)(=O)N3CCCCCC3)ccc2oc1C(=O)NCCN(C)C ZINC000004826845 559155498 /nfs/dbraw/zinc/15/54/98/559155498.db2.gz KBEZJOSSQJPPAQ-UHFFFAOYSA-N 0 3 407.536 2.597 50 0 HFAAHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)ccc21 ZINC000004969218 559218845 /nfs/dbraw/zinc/21/88/45/559218845.db2.gz NPBLXSRNBIGGCO-IAGOWNOFSA-N 0 3 407.580 2.632 50 0 HFAAHN O=C(CC[C@H]1NC(=O)N(c2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000252507912 559278079 /nfs/dbraw/zinc/27/80/79/559278079.db2.gz WWQXYAPUQTUDAZ-OAQYLSRUSA-N 0 3 420.513 2.877 50 0 HFAAHN CN(C)CCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000008876737 560640338 /nfs/dbraw/zinc/64/03/38/560640338.db2.gz VFDULGJYLLKKAO-OAQYLSRUSA-N 0 3 408.502 2.683 50 0 HFAAHN C[C@H](NC[C@@H](O)COc1c(Cl)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000215870917 560641939 /nfs/dbraw/zinc/64/19/39/560641939.db2.gz KWFNBTWRALAWBZ-WCQYABFASA-N 0 3 419.330 2.731 50 0 HFAAHN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccccc1N1CCN(CCO)C[C@H]12 ZINC000103405442 560841689 /nfs/dbraw/zinc/84/16/89/560841689.db2.gz CPEUUJRXMVVMRW-JTHBVZDNSA-N 0 3 424.932 2.788 50 0 HFAAHN O=C(CN1CCN(c2ccccc2F)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000049381391 568447268 /nfs/dbraw/zinc/44/72/68/568447268.db2.gz MEVDWHYYDSQSAP-UHFFFAOYSA-N 0 3 410.493 2.849 50 0 HFAAHN CC[C@@H]1CN(CC(=O)NCC2CCN(CCOC)CC2)Cc2ccc(Cl)cc2O1 ZINC000012282868 568457851 /nfs/dbraw/zinc/45/78/51/568457851.db2.gz YWJGEMULOKHVGA-HXUWFJFHSA-N 0 3 423.985 2.788 50 0 HFAAHN CCCN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 ZINC000020214214 568594590 /nfs/dbraw/zinc/59/45/90/568594590.db2.gz YUUZJYZSUMWTQD-IBGZPJMESA-N 0 3 420.941 2.539 50 0 HFAAHN CCCN1CCN(CC2=NC(=O)N[C@@H](c3ccc(Cl)cc3)C2C(=O)OCC)CC1 ZINC000020214214 568594592 /nfs/dbraw/zinc/59/45/92/568594592.db2.gz YUUZJYZSUMWTQD-IBGZPJMESA-N 0 3 420.941 2.539 50 0 HFAAHN CCOC(=O)[C@H](Cc1ccc(C)cc1)NC(=O)CC1(N2CCOCC2)CCCC1 ZINC000225483245 568641812 /nfs/dbraw/zinc/64/18/12/568641812.db2.gz VIMCKSCXDUMORR-FQEVSTJZSA-N 0 3 402.535 2.621 50 0 HFAAHN CCCn1nc(C(=O)N(C)C)c2c1CC[C@H](NCc1cccc(OC)c1OC)C2 ZINC000020992284 568656070 /nfs/dbraw/zinc/65/60/70/568656070.db2.gz FRQMHSYYKKNMOI-INIZCTEOSA-N 0 3 400.523 2.659 50 0 HFAAHN Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21 ZINC000143215481 568714709 /nfs/dbraw/zinc/71/47/09/568714709.db2.gz VPJXPDLMACOGIZ-UHFFFAOYSA-N 0 3 410.909 2.977 50 0 in-vitro HFAAHN O=C(NCCCN1CCc2ccccc2C1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000021647562 568728337 /nfs/dbraw/zinc/72/83/37/568728337.db2.gz PWJMSQUGLFAGJG-UHFFFAOYSA-N 0 3 422.554 2.813 50 0 HFAAHN CC[C@@H]1CN(CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000230288693 568857701 /nfs/dbraw/zinc/85/77/01/568857701.db2.gz NLYBRWCUVSFPIP-LSDHHAIUSA-N 0 3 410.946 2.917 50 0 HFAAHN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCC(=O)N(CCN2CCCCC2)CC1 ZINC000299791779 568876100 /nfs/dbraw/zinc/87/61/00/568876100.db2.gz FTRFQHXPGRTBDK-SFHVURJKSA-N 0 3 421.969 2.963 50 0 HFAAHN Cn1nc2cccc(S(=O)(=O)NC[C@@H](c3ccccc3)N3CCCCCC3)c2n1 ZINC000670446532 568913164 /nfs/dbraw/zinc/91/31/64/568913164.db2.gz RMMSQWGXNZGVCH-IBGZPJMESA-N 0 3 413.547 2.864 50 0 HFAAHN Cc1ccc(-c2noc([C@H](C)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)n2)cc1F ZINC000084185378 568943510 /nfs/dbraw/zinc/94/35/10/568943510.db2.gz OQEJKKOSLGLSTG-KBXCAEBGSA-N 0 3 401.486 2.659 50 0 HFAAHN O=C1CCSc2ccc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)cc2N1 ZINC000015728406 568979262 /nfs/dbraw/zinc/97/92/62/568979262.db2.gz NDKIJMQRNCRUAI-UHFFFAOYSA-N 0 3 409.577 2.760 50 0 HFAAHN CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000006046180 568981214 /nfs/dbraw/zinc/98/12/14/568981214.db2.gz CQGJIJBRQNBCQH-HXUWFJFHSA-N 0 3 403.548 2.750 50 0 HFAAHN O=C(CSc1nnnn1C1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000008313403 568989258 /nfs/dbraw/zinc/98/92/58/568989258.db2.gz MMNDOKRNJIXEHL-UHFFFAOYSA-N 0 3 400.552 2.661 50 0 HFAAHN CN(C)Cc1ccc(CNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000012855134 569010937 /nfs/dbraw/zinc/01/09/37/569010937.db2.gz LZCRKCKJHRYMNX-UHFFFAOYSA-N 0 3 409.511 2.727 50 0 HFAAHN CN(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)c1ccccc1 ZINC000012917690 569022611 /nfs/dbraw/zinc/02/26/11/569022611.db2.gz NZYISISOKSPTGG-OAQYLSRUSA-N 0 3 415.559 2.940 50 0 HFAAHN CC[C@H](C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000015959308 569024768 /nfs/dbraw/zinc/02/47/68/569024768.db2.gz IBXANRPQRNBPCR-FXQNUBSFSA-N 0 3 403.482 2.653 50 0 biogenic HFAAHN CS[C@H]1CN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C[C@H]1N(C)C ZINC000089314134 569058405 /nfs/dbraw/zinc/05/84/05/569058405.db2.gz PCKJRJTWFDURHN-AEFFLSMTSA-N 0 3 403.573 2.796 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cnn2c1ncc1c2CCCC1=O ZINC000064987360 569145065 /nfs/dbraw/zinc/14/50/65/569145065.db2.gz GYBJUPKZTBWFQD-UHFFFAOYSA-N 0 3 403.486 2.643 50 0 HFAAHN Cc1nc2cc(N3CCC[C@@H](C(=O)NCCN4CCCCCC4)C3)cnc2nc1C ZINC000065227274 569200248 /nfs/dbraw/zinc/20/02/48/569200248.db2.gz YOZZZBGJBNJIJE-LJQANCHMSA-N 0 3 410.566 2.850 50 0 HFAAHN CN1CCC(NC(=O)c2ccc3c(c2)n(Cc2ccccc2)c(=O)c2ccnn23)CC1 ZINC000065270876 569213476 /nfs/dbraw/zinc/21/34/76/569213476.db2.gz BTOPOCXTBREJBY-UHFFFAOYSA-N 0 3 415.497 2.522 50 0 HFAAHN CN(C)CCNC(=O)C1CCN(c2nc3ccc(-c4cccnc4)nc3s2)CC1 ZINC000065272156 569215652 /nfs/dbraw/zinc/21/56/52/569215652.db2.gz IWAIXACQVNVKDS-UHFFFAOYSA-N 0 3 410.547 2.648 50 0 HFAAHN Cc1ccccc1-n1ccnc1SCC(=O)N1CCCN(CC(C)(C)O)CC1 ZINC000170602441 569243690 /nfs/dbraw/zinc/24/36/90/569243690.db2.gz QIHWEYXJPCWMJZ-UHFFFAOYSA-N 0 3 402.564 2.578 50 0 HFAAHN CC(C)CN1CCN([C@H]2CCOC3(CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000581820111 569320970 /nfs/dbraw/zinc/32/09/70/569320970.db2.gz RJIRBNFSSCGLCU-FQEVSTJZSA-N 0 3 400.567 2.509 50 0 HFAAHN O=C(C1CCCC1)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000581819814 569321013 /nfs/dbraw/zinc/32/10/13/569321013.db2.gz MPKVEMIXVIMPFK-NRFANRHFSA-N 0 3 412.578 2.934 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000252498836 569387713 /nfs/dbraw/zinc/38/77/13/569387713.db2.gz RNEWONJCLMSXPD-HKUYNNGSSA-N 0 3 408.502 2.850 50 0 HFAAHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000116785827 569399911 /nfs/dbraw/zinc/39/99/11/569399911.db2.gz YQTDNBMNJIMTOJ-HNNXBMFYSA-N 0 3 411.568 2.974 50 0 HFAAHN CN(C)CCNC(=O)c1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 ZINC000002442059 569400775 /nfs/dbraw/zinc/40/07/75/569400775.db2.gz ZUMVSVQFFLJYLK-LBPRGKRZSA-N 0 3 400.552 2.781 50 0 HFAAHN Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCN(Cc2ccccc2)CC1 ZINC000079478639 569431579 /nfs/dbraw/zinc/43/15/79/569431579.db2.gz CAQKZFLUIOFING-UHFFFAOYSA-N 0 3 424.589 2.785 50 0 HFAAHN O=C(N[C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cc2cc(F)ccc2[nH]1 ZINC000670473381 571105453 /nfs/dbraw/zinc/10/54/53/571105453.db2.gz XAZAGHQRPRQSFA-XAHYOPIXSA-N 0 3 404.489 2.604 50 0 HFAAHN CCOC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000008815934 571121385 /nfs/dbraw/zinc/12/13/85/571121385.db2.gz JGJYVIGWLAJVFX-MNVSYLFESA-N 0 3 415.490 2.564 50 0 HFAAHN Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)NCCN(C)C)c2ccccc2n1C ZINC000009095125 571220800 /nfs/dbraw/zinc/22/08/00/571220800.db2.gz PRWCNTUEVOSJHS-HSZRJFAPSA-N 0 3 404.514 2.710 50 0 HFAAHN CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCCN3CC)C2)ncn1 ZINC000245326089 571225133 /nfs/dbraw/zinc/22/51/33/571225133.db2.gz DBTVTGAUTCUXIL-RBUKOAKNSA-N 0 3 402.587 2.896 50 0 HFAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000022927429 132476621 /nfs/dbraw/zinc/47/66/21/132476621.db2.gz QSCYQCKIOLNBCZ-UHFFFAOYSA-N 0 3 408.546 2.670 50 0 HFAAHN CC(C(=O)NC1CCCC1)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000032929829 526030334 /nfs/dbraw/zinc/03/03/34/526030334.db2.gz NLBRSSHPIMWMDL-GFCCVEGCSA-N 0 3 401.912 2.863 50 0 HFAAHN O=C(CCn1nc(-c2cccs2)oc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000032820102 526689335 /nfs/dbraw/zinc/68/93/35/526689335.db2.gz BMAYKRSEPXZKGP-UHFFFAOYSA-N 0 3 412.515 2.736 50 0 HFAAHN O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)N1CCN(C2CCCCC2)CC1 ZINC000041252908 526690144 /nfs/dbraw/zinc/69/01/44/526690144.db2.gz DFBKNGIJCOESGS-UHFFFAOYSA-N 0 3 412.509 2.916 50 0 HFAAHN COc1ccc(CC(=O)NC[C@H]2CCC3(CCN(Cc4cccnc4)CC3)O2)cc1 ZINC000011789108 558276931 /nfs/dbraw/zinc/27/69/31/558276931.db2.gz KPLCOYFNZZGPQT-JOCHJYFZSA-N 0 3 409.530 2.963 50 0 HFAAHN CCOc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cc1 ZINC000011813203 558277959 /nfs/dbraw/zinc/27/79/59/558277959.db2.gz IHIYLARYSIQVOG-RTWAWAEBSA-N 0 3 402.535 2.894 50 0 HFAAHN CN(C)C(=O)N1CCC(C(=O)N2CCC[C@@H](N(C)CCc3ccccc3)C2)CC1 ZINC000011814284 558278521 /nfs/dbraw/zinc/27/85/21/558278521.db2.gz LCKFFERAUQANNC-OAQYLSRUSA-N 0 3 400.567 2.546 50 0 HFAAHN Cc1nc(C)c(C(=O)N2CCC[C@@H](CCC(=O)N(C)C3CCN(C)CC3)C2)s1 ZINC000011817455 558280720 /nfs/dbraw/zinc/28/07/20/558280720.db2.gz FDQKASOZQLSRQR-KRWDZBQOSA-N 0 3 406.596 2.945 50 0 HFAAHN CN(C(=O)Cn1c2ccccc2oc1=O)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000011933233 558297882 /nfs/dbraw/zinc/29/78/82/558297882.db2.gz HZQPILCBMSMGPI-LJQANCHMSA-N 0 3 405.498 2.685 50 0 HFAAHN CC(C)[C@@H](NC(=O)c1ccccn1)c1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000011976031 558305618 /nfs/dbraw/zinc/30/56/18/558305618.db2.gz RNIVPUQAMPQSDG-OAQYLSRUSA-N 0 3 404.518 2.859 50 0 HFAAHN Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2ccccc2)CC3)c(C)c1 ZINC000011995862 558306686 /nfs/dbraw/zinc/30/66/86/558306686.db2.gz PQCADSKQSITGTM-UHFFFAOYSA-N 0 3 403.530 2.926 50 0 HFAAHN COc1ccc(CN2CCC(O)CC2)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012463901 558419920 /nfs/dbraw/zinc/41/99/20/558419920.db2.gz DFNOKCSPYOFKSG-JOCHJYFZSA-N 0 3 414.546 2.524 50 0 HFAAHN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cc(C)ccc3-n3cccn3)C2)CC1 ZINC000020905961 558420705 /nfs/dbraw/zinc/42/07/05/558420705.db2.gz IWECJVCUMHRYPR-OAQYLSRUSA-N 0 3 411.550 2.919 50 0 HFAAHN CN(C(=O)c1cccc(N2CCNC2=O)c1)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012576843 558431041 /nfs/dbraw/zinc/43/10/41/558431041.db2.gz VWTRQHCBGFIRLU-QFIPXVFZSA-N 0 3 406.530 2.995 50 0 HFAAHN O=C(CNC[C@@H](c1ccc(F)cc1)N1CCOCC1)NCc1ccccc1Cl ZINC000022038369 558459506 /nfs/dbraw/zinc/45/95/06/558459506.db2.gz BQUDCTSTBMTKOH-FQEVSTJZSA-N 0 3 405.901 2.758 50 0 HFAAHN CC1CCN([C@H](CNC(=O)CN2C(=O)c3ccccc3C2=O)c2cccs2)CC1 ZINC000012797434 558470078 /nfs/dbraw/zinc/47/00/78/558470078.db2.gz YQSYSDPEXPMQMG-GOSISDBHSA-N 0 3 411.527 2.934 50 0 HFAAHN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(C)CC2)n3C)cc1 ZINC000022920559 558522606 /nfs/dbraw/zinc/52/26/06/558522606.db2.gz JNNKXIDSGRXAII-UHFFFAOYSA-N 0 3 421.545 2.689 50 0 HFAAHN CC(=O)c1cccc(OC[C@H](O)CN[C@@H](CN2CCOCC2)c2ccc(C)cc2)c1 ZINC000022929700 558523726 /nfs/dbraw/zinc/52/37/26/558523726.db2.gz IYLAVAHZJRLPOM-VWNXMTODSA-N 0 3 412.530 2.600 50 0 HFAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C ZINC000014733587 558666288 /nfs/dbraw/zinc/66/62/88/558666288.db2.gz OFLXZHIRWPKOGW-SFHVURJKSA-N 0 3 417.550 2.985 50 0 HFAAHN CCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000027606113 558677353 /nfs/dbraw/zinc/67/73/53/558677353.db2.gz KAIPLOUNNSYVDL-SFHVURJKSA-N 0 3 401.532 2.830 50 0 HFAAHN COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(OC)c1 ZINC000014887262 558677549 /nfs/dbraw/zinc/67/75/49/558677549.db2.gz SIUINDDBPKQYEM-UXHICEINSA-N 0 3 418.534 2.513 50 0 HFAAHN O=C1CCCN1CCCN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000015069724 558711813 /nfs/dbraw/zinc/71/18/13/558711813.db2.gz ITOHRPBHOCWLNO-INIZCTEOSA-N 0 3 421.925 2.552 50 0 HFAAHN Cc1ccc(C(=O)Nc2ccc(C)n(CC(=O)NCCN3CCCCCC3)c2=O)cc1 ZINC000097938381 558824732 /nfs/dbraw/zinc/82/47/32/558824732.db2.gz JVRASTIVOHWIPS-UHFFFAOYSA-N 0 3 424.545 2.710 50 0 HFAAHN COc1cc(OC)cc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)c1 ZINC000018088257 558830978 /nfs/dbraw/zinc/83/09/78/558830978.db2.gz CDYPCQNWCSPDRR-OAQYLSRUSA-N 0 3 407.470 2.958 50 0 HFAAHN Cc1ccc(-c2nnn(CC(=O)N3c4ccc(C)cc4[C@H]4CN(C)CC[C@H]43)n2)cc1 ZINC000004594097 558831872 /nfs/dbraw/zinc/83/18/72/558831872.db2.gz TZMMNMNLKAIQRX-TZIWHRDSSA-N 0 3 402.502 2.791 50 0 HFAAHN CN(C)CCN(C)C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 ZINC000019300995 558866515 /nfs/dbraw/zinc/86/65/15/558866515.db2.gz UCUZGALXLYKNKG-IBGZPJMESA-N 0 3 407.562 2.869 50 0 HFAAHN CS(=O)(=O)Nc1ccc(/C=C/C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000059850180 558939413 /nfs/dbraw/zinc/93/94/13/558939413.db2.gz UYULHYOIAZNEKC-QGFLDLQWSA-N 0 3 413.543 2.852 50 0 HFAAHN O=C(NCc1cccnc1)C1CCN(C(=O)[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000060381623 558947872 /nfs/dbraw/zinc/94/78/72/558947872.db2.gz JCTRHUYONTXFSQ-JOCHJYFZSA-N 0 3 406.530 2.774 50 0 HFAAHN Cc1cccc(C(C)C)c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000065468226 558977872 /nfs/dbraw/zinc/97/78/72/558977872.db2.gz RUHAWROOCQLKBP-UHFFFAOYSA-N 0 3 400.567 2.863 50 0 HFAAHN Cn1c2ccccc2nc(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O ZINC000072404541 558978758 /nfs/dbraw/zinc/97/87/58/558978758.db2.gz ADEDZSHTNAMYJC-UHFFFAOYSA-N 0 3 404.514 2.647 50 0 HFAAHN CC[C@H](N)C(=O)Nc1nn(-c2ccc(OC)cc2)c2cccc(N3CCOCC3)c12 ZINC000077353712 559001988 /nfs/dbraw/zinc/00/19/88/559001988.db2.gz MJPMIUPRNVPXPI-KRWDZBQOSA-N 0 3 409.490 2.547 50 0 HFAAHN COc1ccccc1NC(=O)N1CCC2(CCC(=O)N([C@H]3CCN(C)C3)C2)CC1 ZINC000095515388 559084500 /nfs/dbraw/zinc/08/45/00/559084500.db2.gz WKPDREOHNQDLII-KRWDZBQOSA-N 0 3 400.523 2.636 50 0 HFAAHN COc1ccc(S(=O)(=O)NCC2CCN([C@H]3CCSC3)CC2)cc1Cl ZINC000225573850 559189276 /nfs/dbraw/zinc/18/92/76/559189276.db2.gz AGGBXHAPIAKQCF-AWEZNQCLSA-N 0 3 404.985 2.844 50 0 HFAAHN CN(CCN(CCN1CCCCC1)C(=O)[C@@H]1CCCS1)C(=O)[C@H]1CCCS1 ZINC000408518047 559213028 /nfs/dbraw/zinc/21/30/28/559213028.db2.gz SJHAVQJMVTWJOL-MSOLQXFVSA-N 0 3 413.653 2.551 50 0 HFAAHN CCOC(=O)C1CCN(CCC(=O)Nc2c3cc(F)ccc3[nH]c2C(=O)OC)CC1 ZINC000005092924 559244017 /nfs/dbraw/zinc/24/40/17/559244017.db2.gz DIQKBANTAJRHMQ-UHFFFAOYSA-N 0 3 419.453 2.697 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)CCc2ccncc2)CC1 ZINC000011817133 559260548 /nfs/dbraw/zinc/26/05/48/559260548.db2.gz ODCBJGZBAGWWLC-NRFANRHFSA-N 0 3 400.567 2.634 50 0 HFAAHN COc1cc2c(cc1OC)CN(Cc1coc([O-])c(C[NH+]3CCCC3)c1=O)CC2 ZINC000100796321 559268199 /nfs/dbraw/zinc/26/81/99/559268199.db2.gz ZCWWCOUUUKADOI-UHFFFAOYSA-N 0 3 400.475 2.517 50 0 biogenic HFAAHN CN(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000008876741 560640314 /nfs/dbraw/zinc/64/03/14/560640314.db2.gz VFDULGJYLLKKAO-NRFANRHFSA-N 0 3 408.502 2.683 50 0 HFAAHN O=C(NC1CCN(C2CC2)CC1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000048189690 568432482 /nfs/dbraw/zinc/43/24/82/568432482.db2.gz UVBYWRMEAMTEBM-OAHLLOKOSA-N 0 3 409.452 2.797 50 0 HFAAHN CCCn1c2ccccc2n(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1=O ZINC000048290802 568435179 /nfs/dbraw/zinc/43/51/79/568435179.db2.gz AWKKWPPLFVVFFL-FQEVSTJZSA-N 0 3 406.530 2.994 50 0 HFAAHN O=C(CSc1nnnn1C1CCCC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000040087099 568615204 /nfs/dbraw/zinc/61/52/04/568615204.db2.gz AOXOHGMJKVLPBK-SFHVURJKSA-N 0 3 400.552 2.834 50 0 HFAAHN O=C(CCCn1c(=O)c2cccn2c2cccnc21)N1CCN(C2CCCCC2)CC1 ZINC000020512809 568622177 /nfs/dbraw/zinc/62/21/77/568622177.db2.gz HVNITLVOUVAYQL-UHFFFAOYSA-N 0 3 421.545 2.906 50 0 HFAAHN CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCCN(Cc2c[nH]nc2-c2ccccc2)C1 ZINC000096000083 568680819 /nfs/dbraw/zinc/68/08/19/568680819.db2.gz XREJUWSEYXXXLM-HNNXBMFYSA-N 0 3 400.508 2.551 50 0 HFAAHN COC[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000242106202 568732274 /nfs/dbraw/zinc/73/22/74/568732274.db2.gz WHUXZCVIWYEWKZ-QGZVFWFLSA-N 0 3 402.438 2.873 50 0 HFAAHN CC(C)[C@H](CNC(=O)c1cccc(NS(C)(=O)=O)c1)N1CCc2ccccc2C1 ZINC000025539092 568775246 /nfs/dbraw/zinc/77/52/46/568775246.db2.gz ALHUZNVEFKTQCC-NRFANRHFSA-N 0 3 415.559 2.871 50 0 HFAAHN CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)CN[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000002631664 568791204 /nfs/dbraw/zinc/79/12/04/568791204.db2.gz JWZSDEGUKINEGK-UXHICEINSA-N 0 3 403.544 2.529 50 0 HFAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccc2scnc2c1 ZINC000670442967 568902594 /nfs/dbraw/zinc/90/25/94/568902594.db2.gz DSKWDYCWDBTXDZ-QKTWPWEVSA-N 0 3 404.539 2.594 50 0 HFAAHN CS(=O)(=O)N1CCc2cc(C(=O)NC[C@H](c3cccs3)N3CCCC3)ccc21 ZINC000012779680 568956675 /nfs/dbraw/zinc/95/66/75/568956675.db2.gz VIPIPSCUFOZZRJ-GOSISDBHSA-N 0 3 419.572 2.637 50 0 HFAAHN CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000015679429 568966305 /nfs/dbraw/zinc/96/63/05/568966305.db2.gz LHBSWUCGVXUYNG-UHFFFAOYSA-N 0 3 417.937 2.716 50 0 biogenic HFAAHN O=C(COc1ccc(-n2cnnn2)cc1)NC[C@@H](c1ccccc1)N1CCCCCC1 ZINC000670465125 568968785 /nfs/dbraw/zinc/96/87/85/568968785.db2.gz XFEXXKFGCQSPCE-QFIPXVFZSA-N 0 3 420.517 2.775 50 0 HFAAHN COc1ccccc1-n1cnnc1SCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000006082099 568996024 /nfs/dbraw/zinc/99/60/24/568996024.db2.gz IOMQBSUKUFZBML-GOSISDBHSA-N 0 3 411.531 2.787 50 0 HFAAHN COc1ccccc1-n1cnnc1SCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000006082098 568996071 /nfs/dbraw/zinc/99/60/71/568996071.db2.gz IOMQBSUKUFZBML-SFHVURJKSA-N 0 3 411.531 2.787 50 0 HFAAHN CN1CCC(N2CCN(Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)CC1 ZINC000104516453 569008820 /nfs/dbraw/zinc/00/88/20/569008820.db2.gz XUKINPGAHZUJSA-HXUWFJFHSA-N 0 3 400.592 2.773 50 0 HFAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc3ccc4cccnc4c3[nH]2)CC1 ZINC000035373889 569034222 /nfs/dbraw/zinc/03/42/22/569034222.db2.gz RECCTAMRDZXMTL-UHFFFAOYSA-N 0 3 405.502 2.662 50 0 HFAAHN C[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000227058282 569040010 /nfs/dbraw/zinc/04/00/10/569040010.db2.gz GAPJEHCZNLQGOM-MGPUTAFESA-N 0 3 404.898 2.720 50 0 HFAAHN C[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)[N-]C(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000227058282 569040011 /nfs/dbraw/zinc/04/00/11/569040011.db2.gz GAPJEHCZNLQGOM-MGPUTAFESA-N 0 3 404.898 2.720 50 0 HFAAHN COc1cc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)cc(OC)c1O ZINC000036379411 569154557 /nfs/dbraw/zinc/15/45/57/569154557.db2.gz IUPGIWDYFGKKFV-OAQYLSRUSA-N 0 3 414.546 2.911 50 0 HFAAHN O=C(Nc1cnc(N2CCNCC2)c(C(=O)N2CCCCCC2)c1)c1ccccc1 ZINC000065025408 569156321 /nfs/dbraw/zinc/15/63/21/569156321.db2.gz ZZYGLEXMMUIVIA-UHFFFAOYSA-N 0 3 407.518 2.760 50 0 HFAAHN CC(C)CC[NH+]1CCC(C[N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 ZINC000006974134 569193035 /nfs/dbraw/zinc/19/30/35/569193035.db2.gz TXZBABKHMYXDRS-UHFFFAOYSA-N 0 3 424.592 2.535 50 0 HFAAHN CCNc1cc(N2CCC[C@H](CCC(=O)NCCN3CCCCCC3)C2)ncn1 ZINC000065245124 569204963 /nfs/dbraw/zinc/20/49/63/569204963.db2.gz FHHWIAZHLCPTOW-LJQANCHMSA-N 0 3 402.587 2.897 50 0 HFAAHN Cc1nn(C)cc1CN(C)C(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255852 569208128 /nfs/dbraw/zinc/20/81/28/569208128.db2.gz NXACYPPDNNLYCI-NRFANRHFSA-N 0 3 404.518 2.547 50 0 HFAAHN Cc1oc2c(c1C(=O)NCCCN1CCN(C)CC1)CN(Cc1ccc(C)cc1)CC2 ZINC000065289696 569218031 /nfs/dbraw/zinc/21/80/31/569218031.db2.gz XICDLQNRPWVPPS-UHFFFAOYSA-N 0 3 424.589 2.822 50 0 HFAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2nnc3ccccn32)C1 ZINC000065312201 569221214 /nfs/dbraw/zinc/22/12/14/569221214.db2.gz JCICOJAPUDWOFR-HXUWFJFHSA-N 0 3 418.545 2.727 50 0 HFAAHN CC[C@H](C)N(CCCNC(=O)c1c(C)oc2ncn(C)c(=O)c21)Cc1ccco1 ZINC000065329547 569224766 /nfs/dbraw/zinc/22/47/66/569224766.db2.gz PIODIUUXSISJIG-AWEZNQCLSA-N 0 3 400.479 2.849 50 0 HFAAHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC000065329571 569224835 /nfs/dbraw/zinc/22/48/35/569224835.db2.gz JIJIGVDJTXJGPZ-UHFFFAOYSA-N 0 3 412.465 2.616 50 0 HFAAHN Cc1ccc(CNC(=O)CSC2=N[C@H](c3c[nH]c4ccccc43)NC(=N)N2)cc1 ZINC000013579101 569256308 /nfs/dbraw/zinc/25/63/08/569256308.db2.gz PMWKXHJTIABNJF-LJQANCHMSA-N 0 3 406.515 2.798 50 0 HFAAHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000252506163 569291270 /nfs/dbraw/zinc/29/12/70/569291270.db2.gz RCJZEOFAUUSDOA-UWWQBHOKSA-N 0 3 411.468 2.853 50 0 HFAAHN Cc1ccncc1C(=O)N1CCC2(CC1)C[C@@H](N1CCN(CC(C)C)CC1)CCO2 ZINC000581820141 569320961 /nfs/dbraw/zinc/32/09/61/569320961.db2.gz UMZZNWDBXDHYJU-NRFANRHFSA-N 0 3 414.594 2.817 50 0 HFAAHN O=C(CC[C@@H]1NC(=O)N(c2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000252507911 569387767 /nfs/dbraw/zinc/38/77/67/569387767.db2.gz WWQXYAPUQTUDAZ-NRFANRHFSA-N 0 3 420.513 2.877 50 0 HFAAHN Cn1nc(CC(=O)NCc2ccccc2CN2CCCCC2)c2ccccc2c1=O ZINC000007941317 569401871 /nfs/dbraw/zinc/40/18/71/569401871.db2.gz JTLLVRUBDBALHZ-UHFFFAOYSA-N 0 3 404.514 2.778 50 0 HFAAHN COc1ccc(-c2cc(C(=O)N3CCN(CCn4c(C)ccc4C)CC3)n[nH]2)cc1 ZINC000013366607 569412180 /nfs/dbraw/zinc/41/21/80/569412180.db2.gz OUPGGOAMJKIIIH-UHFFFAOYSA-N 0 3 407.518 2.962 50 0 HFAAHN CCn1cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c(=O)c2cc3c(cc21)OCO3 ZINC000079189231 569429179 /nfs/dbraw/zinc/42/91/79/569429179.db2.gz PIOBESFKYOPPQX-MAUKXSAKSA-N 0 3 411.502 2.744 50 0 biogenic HFAAHN CCOC(=O)C1C(CN2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285873 571064621 /nfs/dbraw/zinc/06/46/21/571064621.db2.gz QWYSSANSESLCSU-HXUWFJFHSA-N 0 3 417.506 2.751 50 0 HFAAHN COc1ccc(C(=O)C2CCN(CCC(=O)NC(=O)NC3CCCC3)CC2)cc1 ZINC000040051380 571145195 /nfs/dbraw/zinc/14/51/95/571145195.db2.gz CEFYZMQXLFGLLW-UHFFFAOYSA-N 0 3 401.507 2.748 50 0 HFAAHN CNC(=O)c1cccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000241930306 521888750 /nfs/dbraw/zinc/88/87/50/521888750.db2.gz UHMUKDYRBGHICD-VAMGGRTRSA-N 0 3 417.550 2.940 50 0 HFAAHN CNC(=O)c1cccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC000241930307 521889026 /nfs/dbraw/zinc/88/90/26/521889026.db2.gz UHMUKDYRBGHICD-XUVXKRRUSA-N 0 3 417.550 2.940 50 0 HFAAHN CC[C@H](CNC(=O)COc1ccc2c(c1)CCC(=O)N2)N1CCc2ccccc2C1 ZINC000032447360 522174234 /nfs/dbraw/zinc/17/42/34/522174234.db2.gz MEBVLTRHFYWJSD-HXUWFJFHSA-N 0 3 407.514 2.903 50 0 HFAAHN CN1CCC2(CC1)C[C@H](NC(=O)CN1C(=O)COc3ccccc31)c1ccccc1O2 ZINC000032676314 523785726 /nfs/dbraw/zinc/78/57/26/523785726.db2.gz ANAWEWYOLIEBSO-SFHVURJKSA-N 0 3 421.497 2.516 50 0 HFAAHN Cc1ccc(Oc2ncccc2CNC(=O)C[C@H]2CN(C)CCN2C)c(F)c1F ZINC000020540083 525478749 /nfs/dbraw/zinc/47/87/49/525478749.db2.gz WRFJVTPJZPSQRH-INIZCTEOSA-N 0 3 404.461 2.713 50 0 HFAAHN O=C(NCCN1CCCC1)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000034920794 557483570 /nfs/dbraw/zinc/48/35/70/557483570.db2.gz XQWRBIULARAFFU-IBGZPJMESA-N 0 3 403.498 2.539 50 0 HFAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)C1CCOCC1 ZINC000011874630 558292288 /nfs/dbraw/zinc/29/22/88/558292288.db2.gz WXPFLWQTBYSCLW-IBGZPJMESA-N 0 3 405.558 2.855 50 0 HFAAHN COCCCN1C(=O)C(CC(=O)Nc2ccc3c(c2)OCO3)n2c3ccccc3nc21 ZINC000020103452 558332525 /nfs/dbraw/zinc/33/25/25/558332525.db2.gz UEULJZAFFPYMPG-KRWDZBQOSA-N 0 3 422.441 2.718 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)c1c(=O)cc(C)n(CCc2ccccc2OC)c1C ZINC000012159518 558341383 /nfs/dbraw/zinc/34/13/83/558341383.db2.gz CHFFXVJTLRKICA-FQEVSTJZSA-N 0 3 411.546 2.931 50 0 HFAAHN CCOc1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 ZINC000020176544 558343916 /nfs/dbraw/zinc/34/39/16/558343916.db2.gz IOZNYFFOOLOPHF-NRFANRHFSA-N 0 3 421.497 2.612 50 0 HFAAHN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)CCN1CCCC1=O ZINC000012304099 558373327 /nfs/dbraw/zinc/37/33/27/558373327.db2.gz DNEXSHTYGNPOBR-FQEVSTJZSA-N 0 3 403.542 2.941 50 0 HFAAHN COc1ccccc1N1C[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)CC1=O ZINC000012409266 558399838 /nfs/dbraw/zinc/39/98/38/558399838.db2.gz JUMOCSASHVMAAI-IBGZPJMESA-N 0 3 407.514 2.829 50 0 HFAAHN CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000012471480 558422090 /nfs/dbraw/zinc/42/20/90/558422090.db2.gz FRMANVAKSKGRGR-JOCHJYFZSA-N 0 3 404.518 2.501 50 0 HFAAHN CCc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CCOCC4)n3CC2)cc1 ZINC000020998273 558427473 /nfs/dbraw/zinc/42/74/73/558427473.db2.gz XZIKZCNVXBNGNH-QGZVFWFLSA-N 0 3 411.550 2.503 50 0 HFAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)CC1 ZINC000020999526 558428203 /nfs/dbraw/zinc/42/82/03/558428203.db2.gz SCADZCVAVYBUJF-FQEVSTJZSA-N 0 3 412.534 2.982 50 0 HFAAHN CN(C(=O)C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)[C@H]1CCOC1 ZINC000012716066 558455394 /nfs/dbraw/zinc/45/53/94/558455394.db2.gz IVYTWININMFZPJ-IBGZPJMESA-N 0 3 412.534 2.756 50 0 HFAAHN Cc1nn(C)cc1CNCc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000013596785 558547353 /nfs/dbraw/zinc/54/73/53/558547353.db2.gz YBAVFJACUUJXRI-QHCPKHFHSA-N 0 3 408.546 2.890 50 0 HFAAHN CC(C)[C@@H](NCC(=O)N1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCCCO2 ZINC000014124052 558622659 /nfs/dbraw/zinc/62/26/59/558622659.db2.gz PULZWGVOHFKJBB-XMMPIXPASA-N 0 3 424.545 2.878 50 0 HFAAHN CN(C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000014247244 558648214 /nfs/dbraw/zinc/64/82/14/558648214.db2.gz XIJMXKJYTBICHY-QFIPXVFZSA-N 0 3 411.521 2.967 50 0 HFAAHN CC(C)c1ccc(CN2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014958394 558683182 /nfs/dbraw/zinc/68/31/82/558683182.db2.gz OOVKUCMUSMVPRK-HXUWFJFHSA-N 0 3 419.595 2.706 50 0 HFAAHN Cc1ccc(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)s1 ZINC000014977645 558690002 /nfs/dbraw/zinc/69/00/02/558690002.db2.gz AHUPLYUUTWMREM-UHFFFAOYSA-N 0 3 413.522 2.704 50 0 HFAAHN CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CC1 ZINC000029606183 558717879 /nfs/dbraw/zinc/71/78/79/558717879.db2.gz URECQWZJIHHPTH-UHFFFAOYSA-N 0 3 421.607 2.811 50 0 HFAAHN CCN1CCC(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)CC1 ZINC000029607670 558717912 /nfs/dbraw/zinc/71/79/12/558717912.db2.gz XEEOSQQPECPPIZ-UHFFFAOYSA-N 0 3 408.424 2.774 50 0 HFAAHN CCc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 ZINC000033326819 558767011 /nfs/dbraw/zinc/76/70/11/558767011.db2.gz ZLWWQJFQZFSCGC-UHFFFAOYSA-N 0 3 410.522 2.538 50 0 HFAAHN O=C(CNCCOc1ccccc1F)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016695488 558800975 /nfs/dbraw/zinc/80/09/75/558800975.db2.gz CLOAMGJHTVGZAF-SFHVURJKSA-N 0 3 400.450 2.929 50 0 HFAAHN COc1ccccc1/C=C1/Oc2ccc(C(=O)NCCN3CCCC3)cc2NC1=O ZINC000032983749 558804687 /nfs/dbraw/zinc/80/46/87/558804687.db2.gz ZYPCUTKMPNOLBG-RCCKNPSSSA-N 0 3 407.470 2.893 50 0 HFAAHN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(C)CC2)n3C)c1 ZINC000019369050 558877701 /nfs/dbraw/zinc/87/77/01/558877701.db2.gz MYAZFJGERDNGPR-UHFFFAOYSA-N 0 3 421.545 2.689 50 0 HFAAHN Cc1ccc(C)c(NC(=O)CC(=O)N2CCC([C@H](C)N3CCN(C)CC3)CC2)c1 ZINC000055270734 558878044 /nfs/dbraw/zinc/87/80/44/558878044.db2.gz QZPYWGRPJBXCCU-IBGZPJMESA-N 0 3 400.567 2.507 50 0 HFAAHN CC(C)N1C[C@@H](CCN(CCO)CCO)C(c2ccccc2)(c2ccccc2)C1=O ZINC000071769357 558911093 /nfs/dbraw/zinc/91/10/93/558911093.db2.gz NMZZSJNIVHAGIM-HSZRJFAPSA-N 0 3 410.558 2.516 50 0 HFAAHN COC(=O)C[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc(OC)c(OC)c1 ZINC000058342112 558920505 /nfs/dbraw/zinc/92/05/05/558920505.db2.gz IBVRTHXHMHYSSN-SFHVURJKSA-N 0 3 400.475 2.800 50 0 HFAAHN Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000065363871 558974943 /nfs/dbraw/zinc/97/49/43/558974943.db2.gz XWRKKDWKOVKOBL-UHFFFAOYSA-N 0 3 415.559 2.709 50 0 HFAAHN COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000067602084 558987822 /nfs/dbraw/zinc/98/78/22/558987822.db2.gz DEKLACHYLMYLAA-UHFFFAOYSA-N 0 3 404.902 2.867 50 0 HFAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2cnc(SC)nc2)CC1 ZINC000011708935 559241507 /nfs/dbraw/zinc/24/15/07/559241507.db2.gz OOPFEMHRNYWOEP-LJQANCHMSA-N 0 3 405.612 2.791 50 0 HFAAHN CN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCCN12 ZINC000252430763 559277137 /nfs/dbraw/zinc/27/71/37/559277137.db2.gz INAWKYYRGFLTDR-XUJKJYMVSA-N 0 3 401.466 2.532 50 0 HFAAHN Cn1c2nc(CNC3CCCCCCC3)n(Cc3ccccc3)c2c(=O)n(C)c1=O ZINC000005635096 560635392 /nfs/dbraw/zinc/63/53/92/560635392.db2.gz GGQZEKDEEWOMPE-UHFFFAOYSA-N 0 3 409.534 2.685 50 0 HFAAHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1CCC(Cn2cnnn2)CC1 ZINC000583652565 560779331 /nfs/dbraw/zinc/77/93/31/560779331.db2.gz SASZEINZYRVCFT-UHFFFAOYSA-N 0 3 412.538 2.983 50 0 HFAAHN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccccc1N1CCN(CCO)C[C@@H]12 ZINC000025184719 560891371 /nfs/dbraw/zinc/89/13/71/560891371.db2.gz CPEUUJRXMVVMRW-GGAORHGYSA-N 0 3 424.932 2.788 50 0 HFAAHN COCO[C@@H]1CCN(Cc2ccccc2)[C@@H]1[C@@H]1OC(C)(C)O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000601014249 568587458 /nfs/dbraw/zinc/58/74/58/568587458.db2.gz CTLIOWSDMFXLDV-IFLJBQAJSA-N 0 3 421.534 2.922 50 0 HFAAHN CCn1c2ccccc2c2sc(C(=O)NCCCN3CCN(C)CC3)cc2c1=O ZINC000020286318 568596957 /nfs/dbraw/zinc/59/69/57/568596957.db2.gz XPRHGLQCXMGRND-UHFFFAOYSA-N 0 3 412.559 2.603 50 0 HFAAHN CN(C[C@H](O)CN1CCc2ccccc2CC1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000095446570 568611915 /nfs/dbraw/zinc/61/19/15/568611915.db2.gz TZYHRQNHRRPWNH-NRFANRHFSA-N 0 3 422.504 2.750 50 0 HFAAHN CN1CCN(CCCNC(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)CC1 ZINC000020514602 568622606 /nfs/dbraw/zinc/62/26/06/568622606.db2.gz KWMZEYPNNYBDLC-NDEPHWFRSA-N 0 3 423.966 2.608 50 0 HFAAHN COc1ccc(CC[C@H](C)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 ZINC000095945435 568663290 /nfs/dbraw/zinc/66/32/90/568663290.db2.gz ZQCWBJFFOHIOAX-INIZCTEOSA-N 0 3 404.532 2.688 50 0 HFAAHN CCc1ccc(N2C[C@H](C(=O)OCCCN3CCN(C(C)C)CC3)CC2=O)cc1 ZINC000225842748 568679655 /nfs/dbraw/zinc/67/96/55/568679655.db2.gz AAXMNGQHLMQMSM-HXUWFJFHSA-N 0 3 401.551 2.561 50 0 HFAAHN CO[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006414 568682604 /nfs/dbraw/zinc/68/26/04/568682604.db2.gz ATVZNUIDLGCRCU-MOPGFXCFSA-N 0 3 405.539 2.893 50 0 HFAAHN CO[C@]12CCN(Cc3ccc(C)cc3F)[C@H]1C[C@H](NC(=O)Cn1cccn1)CC2 ZINC000534652357 568878937 /nfs/dbraw/zinc/87/89/37/568878937.db2.gz YMRSAKXNQPDQFR-KAGYGMCKSA-N 0 3 400.498 2.659 50 0 HFAAHN COc1ccc(OC[C@@H](O)Cn2c3ccccc3n(CCN3CCCCC3)c2=N)cc1 ZINC000001240914 568907634 /nfs/dbraw/zinc/90/76/34/568907634.db2.gz DGODGIALPBBEFJ-IBGZPJMESA-N 0 3 424.545 2.857 50 0 HFAAHN CCOC(=O)c1sc2nc(C)nc(NC[C@@H](C)N3CCN(CC)CC3)c2c1C ZINC000059389338 568952835 /nfs/dbraw/zinc/95/28/35/568952835.db2.gz VJBVVKOTRYRPKC-CYBMUJFWSA-N 0 3 405.568 2.923 50 0 HFAAHN CN1CCC2(CC1)C[C@@H](NC(=O)Cc1n[nH]c(=O)c3ccccc13)c1ccccc1O2 ZINC000008131838 568975506 /nfs/dbraw/zinc/97/55/06/568975506.db2.gz WRBWKHPRQKOIJY-HXUWFJFHSA-N 0 3 418.497 2.570 50 0 HFAAHN COc1cc(CNCCNC(C)=O)ccc1OC[C@H](O)c1cc(C)c(C)cc1C ZINC000008395468 568999384 /nfs/dbraw/zinc/99/93/84/568999384.db2.gz DZLMWGTZHIFNCV-NRFANRHFSA-N 0 3 400.519 2.959 50 0 HFAAHN C[C@H]1CCCCN1CCNC(=O)CC1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000035459734 569038140 /nfs/dbraw/zinc/03/81/40/569038140.db2.gz QMLLONXRQDUNTE-INIZCTEOSA-N 0 3 413.609 2.530 50 0 HFAAHN CCN1CCN(CCNC(=O)c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)CC1 ZINC000064989203 569145872 /nfs/dbraw/zinc/14/58/72/569145872.db2.gz XLVJWSZPCUCBJA-UHFFFAOYSA-N 0 3 422.577 2.501 50 0 HFAAHN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000036391212 569166316 /nfs/dbraw/zinc/16/63/16/569166316.db2.gz FETOAJUYUDCXHW-FGZHOGPDSA-N 0 3 408.546 2.901 50 0 HFAAHN CC(C)N(CCNC(=O)Cn1ncc2c3ccccc3[nH]c2c1=O)Cc1ccccc1 ZINC000006937535 569185206 /nfs/dbraw/zinc/18/52/06/569185206.db2.gz HQFIXTWIXSQBKQ-UHFFFAOYSA-N 0 3 417.513 2.905 50 0 HFAAHN COC(=O)c1cc(S(=O)(=O)NCC2CCN(Cc3cc(C)ccc3C)CC2)c[nH]1 ZINC000007007027 569199922 /nfs/dbraw/zinc/19/99/22/569199922.db2.gz ISAGSEBUXLKOQY-UHFFFAOYSA-N 0 3 419.547 2.609 50 0 HFAAHN CCn1c2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2n2nccc2c1=O ZINC000065270736 569213392 /nfs/dbraw/zinc/21/33/92/569213392.db2.gz PVQZKTDYZXLMBJ-UHFFFAOYSA-N 0 3 407.518 2.760 50 0 HFAAHN Cc1cccc2nnc(N3CCC[C@@H](C(=O)N4CCN(C5CCCCC5)CC4)C3)n21 ZINC000065312877 569222368 /nfs/dbraw/zinc/22/23/68/569222368.db2.gz GZRYWWRFKIXEKS-LJQANCHMSA-N 0 3 410.566 2.731 50 0 HFAAHN CC(C)CN1CCN([C@@H]2CCOC3(CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000581820112 569320974 /nfs/dbraw/zinc/32/09/74/569320974.db2.gz RJIRBNFSSCGLCU-HXUWFJFHSA-N 0 3 400.567 2.509 50 0 HFAAHN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](CC(C)C)CN(C)C ZINC000078702839 569417464 /nfs/dbraw/zinc/41/74/64/569417464.db2.gz JSEYGGYBHMMESG-QGZVFWFLSA-N 0 3 421.563 2.773 50 0 HFAAHN CN(C(=O)c1ccc(NS(=O)(=O)CCc2ccccc2)cc1)[C@@H]1CCCN(C)C1 ZINC000079001545 569423537 /nfs/dbraw/zinc/42/35/37/569423537.db2.gz VQEGKMVDWHSJCL-OAQYLSRUSA-N 0 3 415.559 2.837 50 0 HFAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1cc2cc(F)ccc2[nH]1 ZINC000670473380 571105408 /nfs/dbraw/zinc/10/54/08/571105408.db2.gz XAZAGHQRPRQSFA-NZAVSEOKSA-N 0 3 404.489 2.604 50 0 HFAAHN CCN1CCN(c2ccccc2NC(=O)NC[C@H](CC(C)C)N2CCOCC2)CC1 ZINC000040103961 571164771 /nfs/dbraw/zinc/16/47/71/571164771.db2.gz JEDLRKTWPSAFLT-FQEVSTJZSA-N 0 3 417.598 2.697 50 0 HFAAHN Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)NCCN(C)C)c2ccccc2n1C ZINC000009095124 571220744 /nfs/dbraw/zinc/22/07/44/571220744.db2.gz PRWCNTUEVOSJHS-QHCPKHFHSA-N 0 3 404.514 2.710 50 0 HFAAHN COCCN(C[C@H]1CN(Cc2ccco2)C[C@H]1c1ccccc1OC)C(=O)COC ZINC000245343745 571226256 /nfs/dbraw/zinc/22/62/56/571226256.db2.gz YMXJBGWYBUVNLF-WIYYLYMNSA-N 0 3 416.518 2.625 50 0 HFAAHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccccc2CN(C)C)s1 ZINC000071795982 571301404 /nfs/dbraw/zinc/30/14/04/571301404.db2.gz FKMKYVGJPXZKEJ-SFHVURJKSA-N 0 3 421.588 2.588 50 0 HFAAHN O=C1C[C@@H](NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000004335127 132275692 /nfs/dbraw/zinc/27/56/92/132275692.db2.gz SKAURIYKRZYAOX-WWKNUYBVSA-N 0 3 409.530 2.714 50 0 HFAAHN O=C(CN1C(=O)/C(=C/c2ccccc2F)Oc2ccccc21)NCCN1CCCC1 ZINC000004932514 132295785 /nfs/dbraw/zinc/29/57/85/132295785.db2.gz OTVIRXVSFSPXEZ-QNGOZBTKSA-N 0 3 409.461 2.804 50 0 HFAAHN CCN1CCN(c2ccc(NC(=O)c3cccc4c3C(=O)N(CCOC)C4)cc2)CC1 ZINC000006746068 132314618 /nfs/dbraw/zinc/31/46/18/132314618.db2.gz GMOLLGKGRKUHMF-UHFFFAOYSA-N 0 3 422.529 2.683 50 0 HFAAHN CCn1c2ccccc2n(CC(=O)NC2CCN(Cc3ccccc3C)CC2)c1=O ZINC000042127183 523279187 /nfs/dbraw/zinc/27/91/87/523279187.db2.gz VUSPPHJPUVPNCX-UHFFFAOYSA-N 0 3 406.530 2.912 50 0 HFAAHN COc1ccccc1CNC(=O)C(=O)NCC1CCN(Cc2cc(C)oc2C)CC1 ZINC000043941113 524458498 /nfs/dbraw/zinc/45/84/98/524458498.db2.gz GBGYRYISAJERRC-UHFFFAOYSA-N 0 3 413.518 2.550 50 0 HFAAHN Cc1ccc(N2C(=O)N(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C(=O)[C@@H]2C)cc1 ZINC000032819936 524924910 /nfs/dbraw/zinc/92/49/10/524924910.db2.gz FHOXANYKJKSTFY-AZUAARDMSA-N 0 3 420.513 2.543 50 0 HFAAHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000032400619 527674727 /nfs/dbraw/zinc/67/47/27/527674727.db2.gz LUTHSYMDHZIDGQ-UHFFFAOYSA-N 0 3 408.470 2.861 50 0 HFAAHN CCOC(=O)[C@@H]1CCCN(C2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)C1 ZINC000012716383 535521402 /nfs/dbraw/zinc/52/14/02/535521402.db2.gz JTURFYKVZJKCMU-QGZVFWFLSA-N 0 3 413.497 2.922 50 0 HFAAHN COc1ccccc1CCNC(=O)c1coc(CN2CCN(CCC(C)C)CC2)n1 ZINC000034678324 557366607 /nfs/dbraw/zinc/36/66/07/557366607.db2.gz BLLLFUYHYPHLLU-UHFFFAOYSA-N 0 3 414.550 2.819 50 0 HFAAHN OCCN(Cc1ccccc1)C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000002940369 557428807 /nfs/dbraw/zinc/42/88/07/557428807.db2.gz AJQMZRFUUSBXSX-OAHLLOKOSA-N 0 3 416.262 2.962 50 0 HFAAHN O=C(NCCN1CCCCC1)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000034920798 557483585 /nfs/dbraw/zinc/48/35/85/557483585.db2.gz DOQMASJCTJPJIW-FQEVSTJZSA-N 0 3 417.525 2.929 50 0 HFAAHN COc1cc(CNCCSc2nnnn2C)ccc1OCc1ccc(Cl)nc1 ZINC000005303624 557644203 /nfs/dbraw/zinc/64/42/03/557644203.db2.gz ICSTWBSKDRWZOF-UHFFFAOYSA-N 0 3 420.926 2.728 50 0 HFAAHN Cc1ccc(-c2nc(CS(=O)(=O)C(C)C(=O)NC[C@@H]3CCCO3)co2)c(C)c1 ZINC000046175193 557820149 /nfs/dbraw/zinc/82/01/49/557820149.db2.gz CBKUOCHMNHAEGV-WBVHZDCISA-N 0 3 406.504 2.557 50 0 HFAAHN C[C@H]1CCCN(C(=O)C[C@]2(c3ccccc3Cl)CC(=O)N(CCN(C)C)C2=O)C1 ZINC000011788299 558276730 /nfs/dbraw/zinc/27/67/30/558276730.db2.gz YHLKFHMELWFJJK-KSFYIVLOSA-N 0 3 419.953 2.547 50 0 HFAAHN CN(C)c1ccc(C(=O)N2CCC[C@H](CCC(=O)N(C)C3CCN(C)CC3)C2)cc1 ZINC000011938033 558301585 /nfs/dbraw/zinc/30/15/85/558301585.db2.gz JMBJLHUQKWBFBS-LJQANCHMSA-N 0 3 414.594 2.938 50 0 HFAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cnn(C)c3)C2)c(OC)c1 ZINC000012429479 558404554 /nfs/dbraw/zinc/40/45/54/558404554.db2.gz AWZDBJKBRMHIHB-KRWDZBQOSA-N 0 3 400.523 2.746 50 0 HFAAHN O=C(NCc1nnc2n1CCN(Cc1cccc3cccnc31)CC2)c1ccccc1 ZINC000020775584 558411654 /nfs/dbraw/zinc/41/16/54/558411654.db2.gz MVBWYLOEGAQFHJ-UHFFFAOYSA-N 0 3 412.497 2.815 50 0 HFAAHN Cc1ccccc1CN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000020786117 558413768 /nfs/dbraw/zinc/41/37/68/558413768.db2.gz YIMIOBFTYNVDFQ-LJQANCHMSA-N 0 3 419.529 2.901 50 0 HFAAHN Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)c1 ZINC000020999135 558427884 /nfs/dbraw/zinc/42/78/84/558427884.db2.gz RAYMQNUZQSBPHN-UHFFFAOYSA-N 0 3 403.530 2.812 50 0 HFAAHN O=C(CN1CCOc2ccccc2C1)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012594462 558437161 /nfs/dbraw/zinc/43/71/61/558437161.db2.gz LYVXVNSNJQHPLD-QFIPXVFZSA-N 0 3 405.542 2.629 50 0 HFAAHN Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000021793801 558449432 /nfs/dbraw/zinc/44/94/32/558449432.db2.gz NXDCSLJYSQZDKA-UHFFFAOYSA-N 0 3 423.561 2.882 50 0 HFAAHN COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3ccccc3)cc2)CC1 ZINC000012708760 558451091 /nfs/dbraw/zinc/45/10/91/558451091.db2.gz YFVOYXBEGUSUKX-QFIPXVFZSA-N 0 3 412.530 2.601 50 0 HFAAHN CCOC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000013135552 558520965 /nfs/dbraw/zinc/52/09/65/558520965.db2.gz JGJYVIGWLAJVFX-ARGWCVDVSA-N 0 3 415.490 2.564 50 0 HFAAHN Brc1ccc(OCc2cccnc2)c(CNCCN2CCOCC2)c1 ZINC000023114587 558534750 /nfs/dbraw/zinc/53/47/50/558534750.db2.gz QJBRNJJFMGWHAZ-UHFFFAOYSA-N 0 3 406.324 2.845 50 0 HFAAHN C[C@@H](NC(=O)c1ccco1)c1nnc2n1CCN(Cc1ccc3cccnc3c1)CC2 ZINC000023129087 558536585 /nfs/dbraw/zinc/53/65/85/558536585.db2.gz OXWOKIBBEVFBLT-MRXNPFEDSA-N 0 3 416.485 2.969 50 0 HFAAHN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023739570 558572671 /nfs/dbraw/zinc/57/26/71/558572671.db2.gz VPMMWAZWHJVFMQ-LJQANCHMSA-N 0 3 412.534 2.585 50 0 HFAAHN COc1ccc([C@@H](CNC(=O)CN2c3ccccc3OCCC2=O)N2CCCC2)cc1 ZINC000024762912 558611040 /nfs/dbraw/zinc/61/10/40/558611040.db2.gz LWOFKECIXFEKSC-OAQYLSRUSA-N 0 3 423.513 2.764 50 0 HFAAHN COCCN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc(C)cc1)CC2 ZINC000014531157 558656027 /nfs/dbraw/zinc/65/60/27/558656027.db2.gz NXFLNHYMFMTROP-UHFFFAOYSA-N 0 3 422.529 2.835 50 0 HFAAHN CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1c[nH]c3ccccc13)CC2 ZINC000014543369 558661066 /nfs/dbraw/zinc/66/10/66/558661066.db2.gz VCCLJRHXQPLAJZ-UHFFFAOYSA-N 0 3 403.486 2.992 50 0 HFAAHN COC(=O)C1CCN(C[C@H](O)COc2ccc(CNCc3ccsc3)cc2)CC1 ZINC000015062691 558705257 /nfs/dbraw/zinc/70/52/57/558705257.db2.gz SLKPUIUKKQWSPC-FQEVSTJZSA-N 0 3 418.559 2.663 50 0 HFAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCN1CCCO1 ZINC000015075221 558715871 /nfs/dbraw/zinc/71/58/71/558715871.db2.gz NUFGJAHGNDZUQZ-NRFANRHFSA-N 0 3 403.567 2.826 50 0 HFAAHN Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCCN1CCCC1)nnc2C ZINC000015724505 558750061 /nfs/dbraw/zinc/75/00/61/558750061.db2.gz SAVLOFWLVJEBMQ-UHFFFAOYSA-N 0 3 410.547 2.736 50 0 HFAAHN CCCN1CCN([C@@H](C)CCCN(C(=O)c2cnn3ccc(C)nc23)C2CC2)CC1 ZINC000072305489 558760233 /nfs/dbraw/zinc/76/02/33/558760233.db2.gz XYFRGFZPTWRKAG-IBGZPJMESA-N 0 3 412.582 2.839 50 0 HFAAHN CCc1nnc(C(=O)Nc2ccc(C(=O)NCCN3CCCC[C@@H]3C)cc2)s1 ZINC000033011440 558830823 /nfs/dbraw/zinc/83/08/23/558830823.db2.gz SPFSPZZKODZAMV-AWEZNQCLSA-N 0 3 401.536 2.957 50 0 HFAAHN C[C@@H]1CN(c2ccc(CNCc3c[nH]nc3-c3ccc4c(c3)OCCO4)cn2)CCO1 ZINC000071947101 558834864 /nfs/dbraw/zinc/83/48/64/558834864.db2.gz KAGOYPFOCOAUCL-MRXNPFEDSA-N 0 3 421.501 2.758 50 0 HFAAHN Cn1c2ccccc2nc(C(=O)NCC2CCN(Cc3ccc(F)cc3)CC2)c1=O ZINC000033085897 558870576 /nfs/dbraw/zinc/87/05/76/558870576.db2.gz VWGQPEAVQLWIGN-UHFFFAOYSA-N 0 3 408.477 2.715 50 0 HFAAHN CCn1nc(C)c([C@H](C)NCc2ccc(OCC(=O)N3CCOCC3)cc2)c1C ZINC000055244956 558877298 /nfs/dbraw/zinc/87/72/98/558877298.db2.gz IIEDIYLTFIIGIH-INIZCTEOSA-N 0 3 400.523 2.608 50 0 HFAAHN CC(C)N1CCN(c2ccc(C(=O)N3CCN(Cc4ccncc4)CC3)cc2)CC1 ZINC000058081343 558898032 /nfs/dbraw/zinc/89/80/32/558898032.db2.gz LEBVKMZADXASNI-UHFFFAOYSA-N 0 3 407.562 2.570 50 0 HFAAHN CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000004689441 558899321 /nfs/dbraw/zinc/89/93/21/558899321.db2.gz BSDFIWKZXGOOMK-IBGZPJMESA-N 0 3 401.463 2.509 50 0 HFAAHN O=C(c1ccc(-c2ccccc2)c(F)c1)[C@@H]1CCCN(Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000071499066 558903429 /nfs/dbraw/zinc/90/34/29/558903429.db2.gz XZLZFSKYPUFKLU-QGZVFWFLSA-N 0 3 407.445 2.964 50 0 HFAAHN CCN(C(=O)C(=O)NCCCN1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000058426480 558926255 /nfs/dbraw/zinc/92/62/55/558926255.db2.gz YAUDFAAVVCOCHR-UHFFFAOYSA-N 0 3 401.457 2.882 50 0 HFAAHN O=C(CCNC(=O)Cc1ccccc1)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000060021085 558940349 /nfs/dbraw/zinc/94/03/49/558940349.db2.gz XZTMRVAUOYKDAB-UHFFFAOYSA-N 0 3 420.557 2.906 50 0 HFAAHN Cc1ccc(CN(c2ccc(C(=O)NC3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000067604633 558988649 /nfs/dbraw/zinc/98/86/49/558988649.db2.gz MARYHVGBPGGLAF-UHFFFAOYSA-N 0 3 415.559 2.785 50 0 HFAAHN O=C(CN1CCN(Cc2ccccc2)C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000097111145 558995298 /nfs/dbraw/zinc/99/52/98/558995298.db2.gz GMPSMDUXWMZJIS-UHFFFAOYSA-N 0 3 406.530 2.705 50 0 HFAAHN COCCN(C)CCN1CC2(CCN(c3nc4ccccc4s3)CC2)OC1=O ZINC000077339224 559001670 /nfs/dbraw/zinc/00/16/70/559001670.db2.gz YFWXYROUIBPVIB-UHFFFAOYSA-N 0 3 404.536 2.666 50 0 HFAAHN CC(C)n1c(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)nc2ccccc21 ZINC000095383474 559080705 /nfs/dbraw/zinc/08/07/05/559080705.db2.gz UJAKKVCYKBKUSE-CTNGQTDRSA-N 0 3 400.567 2.912 50 0 HFAAHN CC(=O)c1c(C)nn(CC(=O)N(C)CC2CCN(Cc3ccc(C)o3)CC2)c1C ZINC000095530967 559086909 /nfs/dbraw/zinc/08/69/09/559086909.db2.gz RCLPDJUJBUPQKB-UHFFFAOYSA-N 0 3 400.523 2.975 50 0 HFAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3cccc(Cl)c3)nc1=O)CCC2 ZINC000004851675 559191271 /nfs/dbraw/zinc/19/12/71/559191271.db2.gz JQMBXKVBWZRTKF-UHFFFAOYSA-N 0 3 406.939 2.678 50 0 HFAAHN Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN(C)Cc4ccccc4)c3c2c1 ZINC000004961820 559217902 /nfs/dbraw/zinc/21/79/02/559217902.db2.gz CNTOLNBLKYBNSO-UHFFFAOYSA-N 0 3 404.470 2.699 50 0 HFAAHN O=C(c1ccoc1)N1CCC2(CC1)C[C@@H](N1CCN(c3ccccn3)CC1)CCO2 ZINC000575560366 560855634 /nfs/dbraw/zinc/85/56/34/560855634.db2.gz YRSNEQQSPLCLOC-FQEVSTJZSA-N 0 3 410.518 2.651 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000012093261 560888936 /nfs/dbraw/zinc/88/89/36/560888936.db2.gz LHUKTCVGAAHQMS-SFHVURJKSA-N 0 3 406.596 2.993 50 0 HFAAHN O=C(c1ccccc1)N1C[C@@H](CNCc2ccc(OC(F)F)cc2)N2CC[C@H]1C2 ZINC000108367044 568418673 /nfs/dbraw/zinc/41/86/73/568418673.db2.gz WIEQWZTWMQIQHX-RBUKOAKNSA-N 0 3 401.457 2.977 50 0 HFAAHN CN1CCCN(c2ccc(CNC(=O)c3cccc(Nc4ncccn4)c3)cn2)CC1 ZINC000048290369 568435176 /nfs/dbraw/zinc/43/51/76/568435176.db2.gz ABWMRIHEWXDHIN-UHFFFAOYSA-N 0 3 417.517 2.687 50 0 HFAAHN COc1ccc(NC(=O)Cn2cnc3c(c2=O)CN(Cc2ccc(C)cc2)CC3)cc1 ZINC000049400905 568447699 /nfs/dbraw/zinc/44/76/99/568447699.db2.gz JEALTGHTROEFSC-UHFFFAOYSA-N 0 3 418.497 2.757 50 0 HFAAHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Br)o3)c2)CC1 ZINC000049770647 568453342 /nfs/dbraw/zinc/45/33/42/568453342.db2.gz OXYZNVCXWCKTSN-UHFFFAOYSA-N 0 3 406.280 2.992 50 0 HFAAHN CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000021052279 568455558 /nfs/dbraw/zinc/45/55/58/568455558.db2.gz XTUXZAQWAMJWOP-LJQANCHMSA-N 0 3 423.604 2.689 50 0 HFAAHN CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000021052279 568455559 /nfs/dbraw/zinc/45/55/59/568455559.db2.gz XTUXZAQWAMJWOP-LJQANCHMSA-N 0 3 423.604 2.689 50 0 HFAAHN N=c1n(CCN2CCCCC2)c2ccccc2n1C[C@H](O)c1ccc2c(c1)OCO2 ZINC000000780167 568474682 /nfs/dbraw/zinc/47/46/82/568474682.db2.gz WFRCAMGEBHKJFW-FQEVSTJZSA-N 0 3 408.502 2.870 50 0 HFAAHN Cc1n[nH]cc1CCCNC(=O)[C@H](C)CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000095400400 568604917 /nfs/dbraw/zinc/60/49/17/568604917.db2.gz YEYGAUIDPCWDSX-CYBMUJFWSA-N 0 3 406.914 2.617 50 0 HFAAHN CCN1CCN(CCCNC(=O)c2cnn(-c3cccc(C)c3)c2-n2cccc2)CC1 ZINC000020980146 568654659 /nfs/dbraw/zinc/65/46/59/568654659.db2.gz GEBSPOPOSFAWGD-UHFFFAOYSA-N 0 3 420.561 2.729 50 0 HFAAHN CS[C@@H]1CN(C(=O)CN2C(=S)N=NC2c2ccc(C)cc2)C[C@H]1N1CCCC1 ZINC000095939713 568661584 /nfs/dbraw/zinc/66/15/84/568661584.db2.gz GFJHVVZRIUTWCG-IAGOWNOFSA-N 0 3 417.604 2.580 50 0 HFAAHN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000095971808 568671513 /nfs/dbraw/zinc/67/15/13/568671513.db2.gz YUKQJXLVUKMKKN-CYBMUJFWSA-N 0 3 406.335 2.766 50 0 HFAAHN C[C@H](NC1(CNC(=O)C2CN(C(=O)OC(C)(C)C)C2)CCOCC1)c1ccccc1 ZINC000096010506 568683764 /nfs/dbraw/zinc/68/37/64/568683764.db2.gz QWCWFLHKYGPRTL-KRWDZBQOSA-N 0 3 417.550 2.870 50 0 HFAAHN COc1ccc(Cl)cc1C(=O)N1CCN(c2cnnc(N3CCCC3)c2)CC1 ZINC000096121055 568699470 /nfs/dbraw/zinc/69/94/70/568699470.db2.gz MOJXOTPOTQPUQD-UHFFFAOYSA-N 0 3 401.898 2.701 50 0 HFAAHN COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000000855381 568712853 /nfs/dbraw/zinc/71/28/53/568712853.db2.gz MURJOXCCBPOZLD-QGZVFWFLSA-N 0 3 403.276 2.922 50 0 HFAAHN O=C(NC[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1)c1ccc2c(c1)OCCO2 ZINC000299765305 568873587 /nfs/dbraw/zinc/87/35/87/568873587.db2.gz FDSWWBNNVJEBGI-FQEVSTJZSA-N 0 3 423.513 2.796 50 0 HFAAHN COCCN1C[C@H](CN2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1=O ZINC000299787646 568875559 /nfs/dbraw/zinc/87/55/59/568875559.db2.gz YALJQSFXRLSSFL-INIZCTEOSA-N 0 3 400.350 2.606 50 0 HFAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1csc2c1CCCC2 ZINC000670448455 568919655 /nfs/dbraw/zinc/91/96/55/568919655.db2.gz XIFGDCMSROANBA-NZAVSEOKSA-N 0 3 407.583 2.924 50 0 HFAAHN COC(=O)c1ccc(C(=O)N(C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000083859197 568921302 /nfs/dbraw/zinc/92/13/02/568921302.db2.gz KFZRUADEHLFRSG-JOCHJYFZSA-N 0 3 410.514 2.991 50 0 HFAAHN CCN(CC)[C@@H](CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1cccc(OC)c1 ZINC000012751267 568940558 /nfs/dbraw/zinc/94/05/58/568940558.db2.gz KOIZRBIYMJXOSK-FQEVSTJZSA-N 0 3 409.486 2.734 50 0 HFAAHN O=C(N[C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3)c1scc2c1CCCC2 ZINC000670471133 568998210 /nfs/dbraw/zinc/99/82/10/568998210.db2.gz QXDBLTYGCVODLP-IGSLEHJCSA-N 0 3 407.583 2.924 50 0 HFAAHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1cc(OCc2ccc3c(c2)OCO3)ncn1 ZINC000090593643 569041579 /nfs/dbraw/zinc/04/15/79/569041579.db2.gz PNJDALFXKAIMQJ-ZSEKCTLFSA-N 0 3 421.409 2.951 50 0 HFAAHN O=C(Cn1ncc2ccsc2c1=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC000006804609 569131425 /nfs/dbraw/zinc/13/14/25/569131425.db2.gz MHOQLOZXKFNQMW-UHFFFAOYSA-N 0 3 410.543 2.529 50 0 HFAAHN CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000036391214 569166300 /nfs/dbraw/zinc/16/63/00/569166300.db2.gz FETOAJUYUDCXHW-FCHUYYIVSA-N 0 3 408.546 2.901 50 0 HFAAHN Cc1nc2cc(N3CCC[C@H](C(=O)NCCN4CCCCCC4)C3)cnc2nc1C ZINC000065227272 569200256 /nfs/dbraw/zinc/20/02/56/569200256.db2.gz YOZZZBGJBNJIJE-IBGZPJMESA-N 0 3 410.566 2.850 50 0 HFAAHN CCN1CCC[C@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000065245229 569205164 /nfs/dbraw/zinc/20/51/64/569205164.db2.gz WAKNLWWSCDEJDY-HKUYNNGSSA-N 0 3 400.571 2.648 50 0 HFAAHN CCNc1cc(N2CCC(CCC(=O)N3CCN(CC(C)C)CC3)CC2)ncn1 ZINC000065274054 569214990 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