smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000002212344 132249664 /nfs/dbraw/zinc/24/96/64/132249664.db2.gz NSPWPTIBAVZHHZ-UHFFFAOYSA-N 0 1 417.922 2.836 50 0 HFAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(C)cc2)CC1 ZINC000004711696 132285241 /nfs/dbraw/zinc/28/52/41/132285241.db2.gz FINIMWKYIBETHC-UHFFFAOYSA-N 0 1 411.502 2.941 50 0 HFAAMN Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)n1 ZINC000009620687 132341824 /nfs/dbraw/zinc/34/18/24/132341824.db2.gz ROARIYRZWYUWQS-IBGZPJMESA-N 0 1 409.534 2.891 50 0 HFAAMN COc1ccc(CC(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 ZINC000011697951 132349942 /nfs/dbraw/zinc/34/99/42/132349942.db2.gz HCWRRFSCJIVWKI-UHFFFAOYSA-N 0 1 404.474 2.515 50 0 HFAAMN C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012766967 132366851 /nfs/dbraw/zinc/36/68/51/132366851.db2.gz KXBMMOPPXYMVMV-KRWDZBQOSA-N 0 1 423.561 2.888 50 0 HFAAMN CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)CC1 ZINC000020600025 520959174 /nfs/dbraw/zinc/95/91/74/520959174.db2.gz QXOZWPLWSWGTOT-QGZVFWFLSA-N 0 1 403.552 2.672 50 0 HFAAMN COC(=O)c1ccc(OC)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccncc2)c1 ZINC000040309866 522142003 /nfs/dbraw/zinc/14/20/03/522142003.db2.gz SWZWWZGDLOQYNY-IBGZPJMESA-N 0 1 407.430 2.780 50 0 biogenic HFAAMN Cc1cc(C)c(S(=O)(=O)N(CCC(=O)N2CCNCC2)C2CCCCC2)c(C)c1 ZINC000045944663 524313281 /nfs/dbraw/zinc/31/32/81/524313281.db2.gz ZYHCOSRPBDOUGY-UHFFFAOYSA-N 0 1 421.607 2.757 50 0 HFAAMN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCNCC2)C2CCCCCC2)c(C)c1 ZINC000045974192 524314334 /nfs/dbraw/zinc/31/43/34/524314334.db2.gz XNARRPYOBUMCGJ-UHFFFAOYSA-N 0 1 421.607 2.757 50 0 HFAAMN Cc1cccc(CN(CCC(=O)N2CCNCC2)C(=O)c2ccc(F)c(F)c2)c1 ZINC000045966961 524382866 /nfs/dbraw/zinc/38/28/66/524382866.db2.gz ZHZABMFEGAJIDP-UHFFFAOYSA-N 0 1 401.457 2.738 50 0 HFAAMN Cc1ccc(CN2CCCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)cc1 ZINC000032827628 524445270 /nfs/dbraw/zinc/44/52/70/524445270.db2.gz APFPXGONGFFKDN-UHFFFAOYSA-N 0 1 404.514 2.748 50 0 HFAAMN C[C@@H]1CN(CCCNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)C[C@@H](C)O1 ZINC000032899248 524945198 /nfs/dbraw/zinc/94/51/98/524945198.db2.gz JMPJPGNWFCTEGN-XNJGSVPQSA-N 0 1 411.955 2.758 50 0 HFAAMN COc1ccc([C@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(OC)cc2)cc1 ZINC000032768833 525413717 /nfs/dbraw/zinc/41/37/17/525413717.db2.gz MCWAPWFXVMMBLE-OAQYLSRUSA-N 0 1 411.502 2.749 50 0 HFAAMN Cc1cc(=O)c(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)nn1-c1ccccc1 ZINC000032921816 526133788 /nfs/dbraw/zinc/13/37/88/526133788.db2.gz HKAUNTQXXALFEH-UHFFFAOYSA-N 0 1 417.513 2.541 50 0 HFAAMN O=C(CN1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCN(c2ncccn2)CC1 ZINC000025457577 526823170 /nfs/dbraw/zinc/82/31/70/526823170.db2.gz XLAPYHHJHWVUTI-HSZRJFAPSA-N 0 1 413.525 2.773 50 0 HFAAMN CCOC(=O)CN1c2ccccc2CC[C@H](Sc2nc(-c3ccncc3)n[nH]2)C1=O ZINC000000684924 557058330 /nfs/dbraw/zinc/05/83/30/557058330.db2.gz RGOWDQMFTDZFSH-KRWDZBQOSA-N 0 1 423.498 2.870 50 0 HFAAMN COc1ccc(N(C[C@@H](O)CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000787400 557080712 /nfs/dbraw/zinc/08/07/12/557080712.db2.gz GWYAIDQEXHNEOY-IBGZPJMESA-N 0 1 404.532 2.737 50 0 HFAAMN Cc1c(NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)c(=O)n(-c2ccccc2)n1C ZINC000000948517 557123706 /nfs/dbraw/zinc/12/37/06/557123706.db2.gz PAUPSGFIYPXNHI-QVKFZJNVSA-N 0 1 417.531 2.622 50 0 HFAAMN COC(=O)C1C(COc2ccc(C=O)cc2OC)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000008682920 557799866 /nfs/dbraw/zinc/79/98/66/557799866.db2.gz JHDYRECMUOTJIX-NRFANRHFSA-N 0 1 424.453 2.985 50 0 HFAAMN CN1CCN([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2ccc(F)cc2)CC1 ZINC000022794554 557821993 /nfs/dbraw/zinc/82/19/93/557821993.db2.gz DRSWOBDJCMJGSW-FQEVSTJZSA-N 0 1 405.901 2.963 50 0 HFAAMN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3cc(C)[nH]n3)C2)c(OC)c1 ZINC000011935480 558299447 /nfs/dbraw/zinc/29/94/47/558299447.db2.gz AWDXNIVVWKVCKC-MRXNPFEDSA-N 0 1 414.506 2.684 50 0 HFAAMN COc1ccc(CN2CCN(Cc3ccc4c(c3)OCCO4)C[C@@H]2CCO)cc1C ZINC000020363694 558358423 /nfs/dbraw/zinc/35/84/23/558358423.db2.gz MLIDYSFHDCCXGU-NRFANRHFSA-N 0 1 412.530 2.844 50 0 HFAAMN CSc1ccccc1OCc1cc(C(=O)NCCN2CCCC[C@@H]2CO)no1 ZINC000012303357 558372891 /nfs/dbraw/zinc/37/28/91/558372891.db2.gz RATYULYSXFFSRP-OAHLLOKOSA-N 0 1 405.520 2.552 50 0 HFAAMN S=C(NCCCN1CCOCC1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000020664847 558398071 /nfs/dbraw/zinc/39/80/71/558398071.db2.gz AEXZDVNIEVOQMC-UHFFFAOYSA-N 0 1 412.603 2.554 50 0 HFAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000020723897 558404158 /nfs/dbraw/zinc/40/41/58/558404158.db2.gz LJWIGFTUPIHQJP-LWLIDHTLSA-N 0 1 418.469 2.802 50 0 HFAAMN COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 ZINC000020732263 558406831 /nfs/dbraw/zinc/40/68/31/558406831.db2.gz TWLJBJAHDVIYFH-PZJWPPBQSA-N 0 1 422.460 2.990 50 0 HFAAMN COc1ccc(NC(=O)CC2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)c(OC)c1 ZINC000020733324 558407132 /nfs/dbraw/zinc/40/71/32/558407132.db2.gz HQRYQLFVMZRBTF-MRXNPFEDSA-N 0 1 407.430 2.793 50 0 HFAAMN COc1ccccc1N1CCN(C(=O)CSc2n[nH]c(CC3CCCC3)n2)CC1 ZINC000021824398 558451214 /nfs/dbraw/zinc/45/12/14/558451214.db2.gz YHZYZTXHSPSJDA-UHFFFAOYSA-N 0 1 415.563 2.987 50 0 HFAAMN COc1ccccc1N1CCN(C(=O)CSc2nc(CC3CCCC3)n[nH]2)CC1 ZINC000021824398 558451216 /nfs/dbraw/zinc/45/12/16/558451216.db2.gz YHZYZTXHSPSJDA-UHFFFAOYSA-N 0 1 415.563 2.987 50 0 HFAAMN COC(=O)c1ccc(-c2noc(CN3CCCC[C@@H]3CCN3CCOCC3)n2)cc1 ZINC000012713781 558454174 /nfs/dbraw/zinc/45/41/74/558454174.db2.gz SDEWYLQFUJWZEI-LJQANCHMSA-N 0 1 414.506 2.600 50 0 HFAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)[C@H](C)N1CCCC1=O ZINC000012748315 558458732 /nfs/dbraw/zinc/45/87/32/558458732.db2.gz MIDMFLBHZCIDGH-SFHVURJKSA-N 0 1 419.541 2.524 50 0 HFAAMN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022917203 558522004 /nfs/dbraw/zinc/52/20/04/558522004.db2.gz XGFVGMOLKOKPNE-SFHVURJKSA-N 0 1 417.561 2.988 50 0 HFAAMN COc1ccc(CCNC(=O)[C@H]2CCCN(c3nc(Cl)nc4[nH]cnc43)C2)cc1 ZINC000013551799 558539188 /nfs/dbraw/zinc/53/91/88/558539188.db2.gz RKSNTNBZOUPFOI-AWEZNQCLSA-N 0 1 414.897 2.590 50 0 HFAAMN CCCCN1C(=O)NC(=O)/C(=C2\C[C@@H](c3ccc(C(C)C)cc3)N(C(C)=O)N2)C1=O ZINC000013570499 558541950 /nfs/dbraw/zinc/54/19/50/558541950.db2.gz VGHCBBKULHSCEA-VZCCSQPZSA-N 0 1 412.490 2.741 50 0 HFAAMN C[C@]1(c2ccco2)NC(=O)N(CN2CCN(Cc3cccc4ccccc43)CC2)C1=O ZINC000023257560 558546579 /nfs/dbraw/zinc/54/65/79/558546579.db2.gz CQAIDGJRYNPICB-XMMPIXPASA-N 0 1 418.497 2.975 50 0 HFAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000013660183 558559517 /nfs/dbraw/zinc/55/95/17/558559517.db2.gz DRUJHQOWURWOAJ-OKILXGFUSA-N 0 1 403.479 2.791 50 0 HFAAMN CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1 ZINC000023818578 558576795 /nfs/dbraw/zinc/57/67/95/558576795.db2.gz OWZVFLZHMJGPHN-KRWDZBQOSA-N 0 1 407.561 2.565 50 0 HFAAMN COc1ccc([C@@H](CNC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)N2CCCC2)cc1 ZINC000014023479 558614599 /nfs/dbraw/zinc/61/45/99/558614599.db2.gz PHQMNWJWWBSWLP-FYYLOGMGSA-N 0 1 423.513 2.762 50 0 HFAAMN CN(C)[C@H](CNC(=O)CCCN(C)S(=O)(=O)c1cccs1)c1cccs1 ZINC000025385666 558639646 /nfs/dbraw/zinc/63/96/46/558639646.db2.gz JIAIEJIDGLLZDM-CQSZACIVSA-N 0 1 415.606 2.629 50 0 HFAAMN Cc1ccc(C)n1CCN1CCN(C(=S)NC(=O)[C@]2(C)CC2(Cl)Cl)CC1 ZINC000025389259 558639736 /nfs/dbraw/zinc/63/97/36/558639736.db2.gz YLWDVCLAHAKNLU-KRWDZBQOSA-N 0 1 417.406 2.708 50 0 HFAAMN Cc1ccc(C)n1CCN1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1 ZINC000025463303 558641767 /nfs/dbraw/zinc/64/17/67/558641767.db2.gz QHWINWQODNWSSF-UHFFFAOYSA-N 0 1 400.548 2.526 50 0 HFAAMN CC(=O)CCc1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000025720306 558648634 /nfs/dbraw/zinc/64/86/34/558648634.db2.gz LUZIRABUKKADOB-JOCHJYFZSA-N 0 1 400.494 2.909 50 0 HFAAMN CN1CCN(c2ccc(CNC(=O)NCCOc3ccc4ccccc4c3)cn2)CC1 ZINC000026284350 558658322 /nfs/dbraw/zinc/65/83/22/558658322.db2.gz SGSYXQTUESIGKU-UHFFFAOYSA-N 0 1 419.529 2.865 50 0 HFAAMN O=C(NCc1n[nH]c2c1CCC2)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000015066967 558709945 /nfs/dbraw/zinc/70/99/45/558709945.db2.gz XHUVOGGACYIHAB-AWEZNQCLSA-N 0 1 420.435 2.972 50 0 HFAAMN O=C(c1cn(Cc2ccccc2Cl)nn1)N1CCc2nc[nH]c2[C@@H]1c1cccnc1 ZINC000015074062 558714774 /nfs/dbraw/zinc/71/47/74/558714774.db2.gz JCGUSNZDBCEYEI-FQEVSTJZSA-N 0 1 419.876 2.886 50 0 HFAAMN COc1cccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)c1 ZINC000035422072 558791824 /nfs/dbraw/zinc/79/18/24/558791824.db2.gz XPTGUSLGMOXJFF-UHFFFAOYSA-N 0 1 415.921 2.813 50 0 HFAAMN CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4cccc(C)c4)n3)c(C)n2)CC1 ZINC000036235719 558798406 /nfs/dbraw/zinc/79/84/06/558798406.db2.gz YJBNFASSNFDGBK-UHFFFAOYSA-N 0 1 405.506 2.729 50 0 HFAAMN CCc1ccc(NS(=O)(=O)c2cccnc2N2CCC3(CC2)OCCO3)cc1 ZINC000049402320 558848926 /nfs/dbraw/zinc/84/89/26/558848926.db2.gz QLTNFMCXUGRAQJ-UHFFFAOYSA-N 0 1 403.504 2.788 50 0 HFAAMN Cc1ccn(CC(=O)N2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)n1 ZINC000055108234 558872875 /nfs/dbraw/zinc/87/28/75/558872875.db2.gz NSHJCGKHYALLPX-HXUWFJFHSA-N 0 1 401.942 2.658 50 0 HFAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCN2CCN(C)CC2)cc1 ZINC000058421664 558925814 /nfs/dbraw/zinc/92/58/14/558925814.db2.gz BQLVJCMWQVJVOL-UHFFFAOYSA-N 0 1 403.530 2.825 50 0 HFAAMN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)c1 ZINC000065362814 558973682 /nfs/dbraw/zinc/97/36/82/558973682.db2.gz UNOUUKZBNDODIG-UHFFFAOYSA-N 0 1 415.563 2.513 50 0 HFAAMN Cc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc(N2CCCC2)n1 ZINC000065364386 558975526 /nfs/dbraw/zinc/97/55/26/558975526.db2.gz LJYDQGJYKNWZOH-UHFFFAOYSA-N 0 1 415.563 2.513 50 0 HFAAMN O=C(Cc1nn[nH]n1)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067851466 558994106 /nfs/dbraw/zinc/99/41/06/558994106.db2.gz AGIGOBJNLOXCBS-UHFFFAOYSA-N 0 1 407.455 2.751 50 0 HFAAMN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1CCN1CCCC1 ZINC000033331874 559062893 /nfs/dbraw/zinc/06/28/93/559062893.db2.gz FBBNDEVPQQWJQR-HSZRJFAPSA-N 0 1 412.534 2.994 50 0 HFAAMN CCNS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 ZINC000098086778 559065126 /nfs/dbraw/zinc/06/51/26/559065126.db2.gz XSMLNQSCVKEDCL-UHFFFAOYSA-N 0 1 404.517 2.900 50 0 HFAAMN CC1(C)Cc2nc(N3CCOCC3)ncc2[C@@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000091794148 559073662 /nfs/dbraw/zinc/07/36/62/559073662.db2.gz LYYPFEYTGFXEEB-KRWDZBQOSA-N 0 1 406.490 2.633 50 0 HFAAMN CCc1cc(C(=O)N2CCC3(CC(=O)N(Cc4cc(F)cc(F)c4)C3)CC2)n[nH]1 ZINC000095374549 559080363 /nfs/dbraw/zinc/08/03/63/559080363.db2.gz YTUUQDDWRMIWKR-UHFFFAOYSA-N 0 1 402.445 2.905 50 0 HFAAMN COc1ccccc1-c1ncc(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)s1 ZINC000095382410 559080596 /nfs/dbraw/zinc/08/05/96/559080596.db2.gz WWAAVUKTPVIFRT-NRFANRHFSA-N 0 1 400.548 2.605 50 0 HFAAMN COCCN1C[C@@]2(CCCN(C(=O)c3cc(-c4ccsc4)[nH]n3)C2)CCC1=O ZINC000095521139 559085347 /nfs/dbraw/zinc/08/53/47/559085347.db2.gz WBZXPIOITNOLPG-HXUWFJFHSA-N 0 1 402.520 2.629 50 0 HFAAMN COc1ccccc1[C@H](CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCCC1 ZINC000023980717 559186963 /nfs/dbraw/zinc/18/69/63/559186963.db2.gz DKFXBRXFZJLLHM-UNMCSNQZSA-N 0 1 421.541 2.997 50 0 HFAAMN CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)cc2OC)n2ncnc2N1 ZINC000004945074 559213871 /nfs/dbraw/zinc/21/38/71/559213871.db2.gz NQSRYBNIPJFUNY-SFHVURJKSA-N 0 1 402.451 2.936 50 0 HFAAMN COc1ccc(-c2nc(CN3CCC(C(=O)NCC(OC)OC)CC3)c(C)o2)cc1 ZINC000005043022 559236093 /nfs/dbraw/zinc/23/60/93/559236093.db2.gz RUUJQJZKOZHDNQ-UHFFFAOYSA-N 0 1 417.506 2.606 50 0 HFAAMN COC(CNC(=O)[C@H]1CCCN(Cc2nc(-c3ccccc3C)oc2C)C1)OC ZINC000005044323 559236434 /nfs/dbraw/zinc/23/64/34/559236434.db2.gz CUJWYVPMTFORDM-KRWDZBQOSA-N 0 1 401.507 2.906 50 0 HFAAMN CC(C)(C)c1ccc(-n2c3nc(-c4ccccc4O)nc(C(N)=O)c3[nH]c2=O)cc1 ZINC000005143494 559251566 /nfs/dbraw/zinc/25/15/66/559251566.db2.gz OQSQPYAXSSNPRY-UHFFFAOYSA-N 0 1 403.442 2.878 50 0 HFAAMN Cc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(NS(=O)(=O)N(C)C)nc3N2)cc1 ZINC000005178517 559289263 /nfs/dbraw/zinc/28/92/63/559289263.db2.gz OSKWTBJCZUDSRF-QZTJIDSGSA-N 0 1 412.519 2.951 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@H]2O)ccc1C ZINC000078933488 560541039 /nfs/dbraw/zinc/54/10/39/560541039.db2.gz DMDBXIKAZZFOTD-FUHWJXTLSA-N 0 1 418.515 2.695 50 0 HFAAMN COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(OC)c(OC)c1 ZINC000005342985 560567968 /nfs/dbraw/zinc/56/79/68/560567968.db2.gz GXNVUSIMBMDDPM-OAQYLSRUSA-N 0 1 409.442 2.991 50 0 HFAAMN CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000005351870 560569114 /nfs/dbraw/zinc/56/91/14/560569114.db2.gz MKWRXDXVAYYBCH-TYTKBFJVSA-N 0 1 403.910 2.905 50 0 HFAAMN Cc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(NS(=O)(=O)N(C)C)nn32)cc1 ZINC000005574091 560623437 /nfs/dbraw/zinc/62/34/37/560623437.db2.gz FHIMTFZKQYZSNY-ZWKOTPCHSA-N 0 1 412.519 2.951 50 0 HFAAMN O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000409414695 560723305 /nfs/dbraw/zinc/72/33/05/560723305.db2.gz USAOLYDGVDLKLW-AWEZNQCLSA-N 0 1 417.347 2.661 50 0 HFAAMN 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/nfs/dbraw/zinc/10/79/34/569107934.db2.gz SVMMEUSBLSEEFV-JOCHJYFZSA-N 0 1 423.469 2.954 50 0 HFAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)c1 ZINC000065194064 569192699 /nfs/dbraw/zinc/19/26/99/569192699.db2.gz CVIKGZVFMQRLHT-UHFFFAOYSA-N 0 1 418.475 2.978 50 0 HFAAMN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000007006909 569199741 /nfs/dbraw/zinc/19/97/41/569199741.db2.gz XJQPDENIYZISRH-UHFFFAOYSA-N 0 1 423.535 2.592 50 0 HFAAMN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F ZINC000036579838 569202732 /nfs/dbraw/zinc/20/27/32/569202732.db2.gz QBKNAORVSQLSHK-AEFFLSMTSA-N 0 1 406.433 2.933 50 0 HFAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC)C(=O)OC ZINC000036601907 569205329 /nfs/dbraw/zinc/20/53/29/569205329.db2.gz HUGIRZIBRUGHOD-IXDGSTSKSA-N 0 1 400.479 2.663 50 0 HFAAMN CCCCN1CCN(C(=O)[C@H]2CCCN(c3nnc4ccc(Cl)cn43)C2)CC1 ZINC000065312957 569222373 /nfs/dbraw/zinc/22/23/73/569222373.db2.gz KZZHKWGQPYNODH-INIZCTEOSA-N 0 1 404.946 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568755648 /nfs/dbraw/zinc/75/56/48/568755648.db2.gz WKNHHZCFGZYRRP-GOSISDBHSA-N 0 1 421.588 2.568 50 0 HFAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)[nH]n2)c(OC)c1 ZINC000057413096 568833318 /nfs/dbraw/zinc/83/33/18/568833318.db2.gz BUVMJLPNMHHQES-UHFFFAOYSA-N 0 1 401.444 2.750 50 0 HFAAMN CCN(Cc1ccccc1)CC1=NC(=O)N[C@@H](c2cccc(OC)c2)C1C(=O)OC ZINC000057414551 568833532 /nfs/dbraw/zinc/83/35/32/568833532.db2.gz ORDHDACPYQIEMT-NRFANRHFSA-N 0 1 409.486 2.998 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccn(C)n2)ccc1C ZINC000012521068 568841570 /nfs/dbraw/zinc/84/15/70/568841570.db2.gz IPTAENWLRXNGJE-UHFFFAOYSA-N 0 1 400.460 2.790 50 0 HFAAMN CSc1ccc(CN(C)C(=O)c2nc(C)n(-c3nnc(C(F)(F)F)[nH]3)n2)cc1 ZINC000078253996 568883475 /nfs/dbraw/zinc/88/34/75/568883475.db2.gz NXCQGBNTBOLRNM-UHFFFAOYSA-N 0 1 411.413 2.707 50 0 HFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1ccc(F)c(F)c1)SCC(=O)N2 ZINC000031810529 568932493 /nfs/dbraw/zinc/93/24/93/568932493.db2.gz ZOAIAUHGLBJGPK-HNNXBMFYSA-N 0 1 413.413 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ZINC000064969536 569138005 /nfs/dbraw/zinc/13/80/05/569138005.db2.gz QMIIXLLORXDNHG-UHFFFAOYSA-N 0 1 422.894 2.663 50 0 HFAAMN CC(C)C(=O)NCc1cnn(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)c1 ZINC000065213275 569197388 /nfs/dbraw/zinc/19/73/88/569197388.db2.gz KSQGXWNJIYZNTP-UHFFFAOYSA-N 0 1 423.561 2.845 50 0 HFAAMN CCc1nc2cc(N3CCC[C@@H](C(=O)N4CCCN(C)CC4)C3)cnc2nc1CC ZINC000065227288 569200189 /nfs/dbraw/zinc/20/01/89/569200189.db2.gz HFECFXCNSARIMQ-QGZVFWFLSA-N 0 1 410.566 2.530 50 0 HFAAMN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F ZINC000036585259 569203119 /nfs/dbraw/zinc/20/31/19/569203119.db2.gz ISJPDBLNCOUTHU-AEFFLSMTSA-N 0 1 406.433 2.933 50 0 HFAAMN CN(C[C@H]1COc2ccccc2O1)C(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000009954673 569252576 /nfs/dbraw/zinc/25/25/76/569252576.db2.gz QZAXTCIZNGCXIK-LBPRGKRZSA-N 0 1 402.501 2.924 50 0 HFAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2 ZINC000013696720 569257310 /nfs/dbraw/zinc/25/73/10/569257310.db2.gz 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C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(CCCCO)CC1 ZINC000072308788 559161961 /nfs/dbraw/zinc/16/19/61/559161961.db2.gz IDAUQNFVRBJXPU-FQEVSTJZSA-N 0 1 411.546 2.983 50 0 HFAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3ccccc3NC2=O)c(C)c1 ZINC000033912462 559292138 /nfs/dbraw/zinc/29/21/38/559292138.db2.gz QHPCWZAHQVUYBV-CMCWBKRRSA-N 0 1 401.466 2.735 50 0 biogenic HFAAMN Nc1c2nc(-c3ccc(Cl)cc3Cl)[nH]c(=O)c2nc(=O)n1-c1ccccc1 ZINC000100916289 560763096 /nfs/dbraw/zinc/76/30/96/560763096.db2.gz AOHWZHIOVACTLY-UHFFFAOYSA-N 0 1 400.225 2.855 50 0 HFAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cc3c4c(c2)CCCN4C(=O)[C@H]3C)c1 ZINC000101078719 560771235 /nfs/dbraw/zinc/77/12/35/560771235.db2.gz SAYBWUJWHLOBCD-LBPRGKRZSA-N 0 1 402.472 2.901 50 0 HFAAMN O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1ccc(Br)o1 ZINC000011697807 560773948 /nfs/dbraw/zinc/77/39/48/560773948.db2.gz IDVYXOMMJYUADW-UHFFFAOYSA-N 0 1 403.240 2.813 50 0 HFAAMN CCN1C(=O)C[C@@H](N2CCC(C3CCN(C(=O)c4ccc(F)cc4)CC3)CC2)C1=O ZINC000101330177 560791815 /nfs/dbraw/zinc/79/18/15/560791815.db2.gz ZWDREAPFPAIXCF-HXUWFJFHSA-N 0 1 415.509 2.537 50 0 HFAAMN CCCCn1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(C(C)C)cc3)C2)c1=O ZINC000101456174 560795383 /nfs/dbraw/zinc/79/53/83/560795383.db2.gz XBRZOOPTIJXJIP-GOSISDBHSA-N 0 1 412.490 2.863 50 0 HFAAMN Cc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)cc1 ZINC000085690482 560853093 /nfs/dbraw/zinc/85/30/93/560853093.db2.gz SSIKMUPEBQLJLR-IBGZPJMESA-N 0 1 403.486 2.949 50 0 HFAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F)C(=O)OC ZINC000036575425 560881977 /nfs/dbraw/zinc/88/19/77/560881977.db2.gz ODNIKYXMQGDJFM-PBQZTSCYSA-N 0 1 406.433 2.933 50 0 HFAAMN C[N@H+]1CCN2c3c(F)cccc3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000025185517 560891398 /nfs/dbraw/zinc/89/13/98/560891398.db2.gz TVMRODHVKUWYIA-JTSKRJEESA-N 0 1 408.433 2.612 50 0 HFAAMN CN1CC[NH+](C)Cc2ccc(NC(=O)C[C@H]3C[N@H+](Cc4ccccc4)CCO3)cc21 ZINC000108168957 560898214 /nfs/dbraw/zinc/89/82/14/560898214.db2.gz CLCVKFZGVHPEOX-QFIPXVFZSA-N 0 1 408.546 2.798 50 0 HFAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(I)c1 ZINC000048344644 568440922 /nfs/dbraw/zinc/44/09/22/568440922.db2.gz LRRXTMIBUQHNLR-UHFFFAOYSA-N 0 1 416.240 2.915 50 0 HFAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC)C(=O)OC ZINC000020763519 568458778 /nfs/dbraw/zinc/45/87/78/568458778.db2.gz HUGIRZIBRUGHOD-FMEYXAORSA-N 0 1 400.479 2.663 50 0 biogenic HFAAMN Cc1ccc(CCC2CCN(CC(=O)NCC(C)(C)N3CCOCC3)CC2)cc1 ZINC000012332461 568473009 /nfs/dbraw/zinc/47/30/09/568473009.db2.gz MGULSSASUWNSEV-UHFFFAOYSA-N 0 1 401.595 2.867 50 0 HFAAMN COc1ccc(CCNC(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1 ZINC000022766990 568499159 /nfs/dbraw/zinc/49/91/59/568499159.db2.gz RPQNBSMTPSCSHJ-FQEVSTJZSA-N 0 1 402.564 2.587 50 0 HFAAMN COc1ccccc1[C@H](CNC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)N1CCCC1 ZINC000040007809 568608181 /nfs/dbraw/zinc/60/81/81/568608181.db2.gz MDENRXITEDIZGJ-NZQKXSOJSA-N 0 1 423.513 2.762 50 0 HFAAMN COc1ccc(S(=O)(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)c(Cl)c1Cl ZINC000095447940 568612446 /nfs/dbraw/zinc/61/24/46/568612446.db2.gz GWHFTYYJUIGYGG-UHFFFAOYSA-N 0 1 415.258 2.778 50 0 HFAAMN Cc1cccc(OCCNC(=O)CN(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000225408114 568634766 /nfs/dbraw/zinc/63/47/66/568634766.db2.gz MSTWLOHBKNQEAV-LJQANCHMSA-N 0 1 405.539 2.725 50 0 HFAAMN O=C1Nc2ccccc2[C@@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020611411 568637222 /nfs/dbraw/zinc/63/72/22/568637222.db2.gz QBDRECKUDUUQCL-PDFGSZSQSA-N 0 1 415.493 2.592 50 0 biogenic HFAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000020723900 568640701 /nfs/dbraw/zinc/64/07/01/568640701.db2.gz LJWIGFTUPIHQJP-JLBUNGTFSA-N 0 1 418.469 2.802 50 0 HFAAMN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000225827293 568678578 /nfs/dbraw/zinc/67/85/78/568678578.db2.gz ZDWAIQFVARNWRI-DVECYGJZSA-N 0 1 421.497 2.507 50 0 HFAAMN Cc1cc(C)cc(CCC(=O)N2CCC[C@@H](c3[nH]ncc3NS(C)(=O)=O)C2)c1 ZINC000095998646 568679877 /nfs/dbraw/zinc/67/98/77/568679877.db2.gz BVQIMJNLRNRQJQ-QGZVFWFLSA-N 0 1 404.536 2.737 50 0 HFAAMN CC(C)Cc1nc2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2[nH]1 ZINC000096115648 568695286 /nfs/dbraw/zinc/69/52/86/568695286.db2.gz WJUKFFCYQVRBLI-SFHVURJKSA-N 0 1 405.458 2.841 50 0 biogenic HFAAMN COc1ccccc1OCCN1C[C@@H](C(=O)Nc2ccc3nc(C)[nH]c3c2)CC1=O ZINC000096223095 568706054 /nfs/dbraw/zinc/70/60/54/568706054.db2.gz RTKIYSZSRKYSGO-HNNXBMFYSA-N 0 1 408.458 2.746 50 0 HFAAMN O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000096324855 568734634 /nfs/dbraw/zinc/73/46/34/568734634.db2.gz PVGSLUKIDNJLKY-UHFFFAOYSA-N 0 1 409.877 2.652 50 0 HFAAMN CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708785 568738788 /nfs/dbraw/zinc/73/87/88/568738788.db2.gz LZBGTMPVXFKPEY-STXHMFSFSA-N 0 1 401.507 2.844 50 0 HFAAMN CCOC(=O)C1C(CN2C[C@H](C)C[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708785 568738790 /nfs/dbraw/zinc/73/87/90/568738790.db2.gz LZBGTMPVXFKPEY-STXHMFSFSA-N 0 1 401.507 2.844 50 0 HFAAMN CC(C)CN1CCN(C(=O)[C@@H]2CCc3sc(C(=O)N4CCCC4)cc3C2)CC1 ZINC000096398347 568746937 /nfs/dbraw/zinc/74/69/37/568746937.db2.gz AJCCBLVRWUASAW-QGZVFWFLSA-N 0 1 403.592 2.889 50 0 HFAAMN Cc1cccc(N2C(=O)c3ccccc3/C(=C\NCCCN3CCOCC3)C2=O)c1 ZINC000086062899 568755581 /nfs/dbraw/zinc/75/55/81/568755581.db2.gz NMUHVKOTBQIVGB-OQKWZONESA-N 0 1 405.498 2.835 50 0 HFAAMN C[C@@H]1CN(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)C[C@@H](C)O1 ZINC000002726181 568803967 /nfs/dbraw/zinc/80/39/67/568803967.db2.gz DSUGWXSHEITCCH-GHMZBOCLSA-N 0 1 411.325 2.962 50 0 HFAAMN CCOc1ccc([C@H]2NC(=O)NC(CN(C)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415321 568833640 /nfs/dbraw/zinc/83/36/40/568833640.db2.gz BZBLISIJEGWCKW-OAQYLSRUSA-N 0 1 409.486 2.998 50 0 HFAAMN CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCCN(C)CC2)ccc1Cl ZINC000003237301 568847730 /nfs/dbraw/zinc/84/77/30/568847730.db2.gz RYWAEEMWNUMPFJ-UHFFFAOYSA-N 0 1 421.950 2.943 50 0 HFAAMN CNC(=O)NC(=O)CCN1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000029980267 568854461 /nfs/dbraw/zinc/85/44/61/568854461.db2.gz LWMPUIWCVSAVEB-IBGZPJMESA-N 0 1 403.504 2.559 50 0 HFAAMN Cc1cccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299770833 568874173 /nfs/dbraw/zinc/87/41/73/568874173.db2.gz MVSBLFWJSOFHFA-QFIPXVFZSA-N 0 1 413.493 2.800 50 0 HFAAMN Cc1cnccc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299769660 568874223 /nfs/dbraw/zinc/87/42/23/568874223.db2.gz OZUUWABGEKVUHB-QFIPXVFZSA-N 0 1 413.493 2.800 50 0 HFAAMN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000003422967 568900230 /nfs/dbraw/zinc/90/02/30/568900230.db2.gz KKOYNUSWTVIWJW-UHFFFAOYSA-N 0 1 422.528 2.865 50 0 HFAAMN COC(=O)CCCNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000031807560 568931721 /nfs/dbraw/zinc/93/17/21/568931721.db2.gz QMHRFUQMQODKKP-QGZVFWFLSA-N 0 1 421.295 2.783 50 0 HFAAMN COc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c21 ZINC000031810490 568932383 /nfs/dbraw/zinc/93/23/83/568932383.db2.gz HRZHWRYYWRWKGA-MRXNPFEDSA-N 0 1 407.459 2.630 50 0 HFAAMN CN1C(=O)c2ccc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc2C1=O ZINC000012755135 568942658 /nfs/dbraw/zinc/94/26/58/568942658.db2.gz ZWJODSSMTLDHMD-UHFFFAOYSA-N 0 1 411.889 2.960 50 0 HFAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1 ZINC000004270258 568956599 /nfs/dbraw/zinc/95/65/99/568956599.db2.gz OKQCKHNMJZEXJU-UHFFFAOYSA-N 0 1 411.443 2.609 50 0 HFAAMN CCN1CCN([C@@H]2CCN(C(=O)Nc3cccc(OCc4cscn4)c3)C2)CC1 ZINC000084789297 568959466 /nfs/dbraw/zinc/95/94/66/568959466.db2.gz ADNIKIQTSRAXRR-LJQANCHMSA-N 0 1 415.563 2.966 50 0 HFAAMN CN1CCN(c2ccccc2NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCC2)CC1 ZINC000015677539 568965782 /nfs/dbraw/zinc/96/57/82/568965782.db2.gz MGBOCKXLOUNRMN-UHFFFAOYSA-N 0 1 417.513 2.737 50 0 HFAAMN COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)n[nH]2)c1 ZINC000015680710 568967572 /nfs/dbraw/zinc/96/75/72/568967572.db2.gz MLDWBNMBMCYVCF-UHFFFAOYSA-N 0 1 408.433 2.823 50 0 HFAAMN O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc2c(c1)OCCCO2 ZINC000008053156 568970851 /nfs/dbraw/zinc/97/08/51/568970851.db2.gz HMGXSJUYKZVPOI-UHFFFAOYSA-N 0 1 406.851 2.883 50 0 HFAAMN CCc1nn2c(nc(CSc3nc(-c4ccccc4OC)n[nH]3)cc2=O)s1 ZINC000015731843 568982084 /nfs/dbraw/zinc/98/20/84/568982084.db2.gz LDNPJUJBAJAIPC-UHFFFAOYSA-N 0 1 400.489 2.799 50 0 HFAAMN COc1cc(C)c(C)cc1S(=O)(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C ZINC000015780553 569002251 /nfs/dbraw/zinc/00/22/51/569002251.db2.gz ZXZZKTMRLWMBBA-UHFFFAOYSA-N 0 1 424.544 2.961 50 0 HFAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000015825145 569011393 /nfs/dbraw/zinc/01/13/93/569011393.db2.gz HCRWIULVKVJOQM-UHFFFAOYSA-N 0 1 416.913 2.629 50 0 HFAAMN COc1ccc(CNC(=O)[C@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012910515 569021472 /nfs/dbraw/zinc/02/14/72/569021472.db2.gz QSXSRYIHRJDMBC-INIZCTEOSA-N 0 1 411.502 2.756 50 0 HFAAMN C[C@@H]1CN(CCCNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)C[C@H](C)O1 ZINC000013007561 569049806 /nfs/dbraw/zinc/04/98/06/569049806.db2.gz IALFPIZALYMNLN-HDICACEKSA-N 0 1 420.513 2.615 50 0 HFAAMN Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@H]2C1=O ZINC000247856611 569057593 /nfs/dbraw/zinc/05/75/93/569057593.db2.gz DANMZDFCDJOVND-IPRDPGLQSA-N 0 1 401.466 2.735 50 0 HFAAMN COCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(OC)cc1 ZINC000036095698 569089979 /nfs/dbraw/zinc/08/99/79/569089979.db2.gz DLHXQSMJOAKFOS-GOSISDBHSA-N 0 1 405.491 2.601 50 0 HFAAMN CCNc1nc(C)cc(N2CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)n1 ZINC000064800048 569097361 /nfs/dbraw/zinc/09/73/61/569097361.db2.gz SFUVMRIWLJZNIT-UHFFFAOYSA-N 0 1 400.483 2.588 50 0 HFAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2CCO)cc1OC ZINC000006743230 569107941 /nfs/dbraw/zinc/10/79/41/569107941.db2.gz SVMMEUSBLSEEFV-QFIPXVFZSA-N 0 1 423.469 2.954 50 0 HFAAMN O=C(Nc1ccc(F)cc1)c1nnc(CNS(=O)(=O)c2ccccc2F)s1 ZINC000064991572 569149092 /nfs/dbraw/zinc/14/90/92/569149092.db2.gz APZGZNGILQAVNK-UHFFFAOYSA-N 0 1 410.427 2.547 50 0 HFAAMN CCc1nc2cc(N3CCC[C@H](C(=O)N4CCCN(C)CC4)C3)cnc2nc1CC ZINC000065227286 569200215 /nfs/dbraw/zinc/20/02/15/569200215.db2.gz HFECFXCNSARIMQ-KRWDZBQOSA-N 0 1 410.566 2.530 50 0 HFAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F ZINC000036569560 569200778 /nfs/dbraw/zinc/20/07/78/569200778.db2.gz PXKGLXDDNDEGSI-NVXWUHKLSA-N 0 1 424.473 2.640 50 0 HFAAMN COc1ccc(CCC(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)c(OC)c1OC ZINC000170601776 569243300 /nfs/dbraw/zinc/24/33/00/569243300.db2.gz FTUIHNDKIDVQIV-KRWDZBQOSA-N 0 1 410.474 2.863 50 0 HFAAMN Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000017012714 569271530 /nfs/dbraw/zinc/27/15/30/569271530.db2.gz KJPUKRFHMXLLDZ-UHFFFAOYSA-N 0 1 421.954 2.550 50 0 HFAAMN Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3cc(C(C)C)ccc3C)CC2)n1 ZINC000017121345 569275118 /nfs/dbraw/zinc/27/51/18/569275118.db2.gz UIMDWOVVQVBBAM-UHFFFAOYSA-N 0 1 417.579 2.794 50 0 HFAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000252517554 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CC(=O)c1ccc(OC[C@H](O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012797667 558470056 /nfs/dbraw/zinc/47/00/56/558470056.db2.gz WBSLFQRVRZUJQN-LJQANCHMSA-N 0 1 412.486 2.685 50 0 HFAAMN O=C1C(=O)N(C2CCCC2)C(=O)N1CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000022786009 558510978 /nfs/dbraw/zinc/51/09/78/558510978.db2.gz AKVFWJKZOUSYSR-UHFFFAOYSA-N 0 1 420.513 2.648 50 0 HFAAMN COc1ccc([C@H](CNC(=O)Cn2c3ccccc3oc2=O)N2CCCCC2)cc1 ZINC000014246623 558647517 /nfs/dbraw/zinc/64/75/17/558647517.db2.gz UBVHYQUUCQJYCW-FQEVSTJZSA-N 0 1 409.486 2.947 50 0 HFAAMN COc1ccc([C@@H](CNC(=O)Cn2c3ccccc3oc2=O)N2CCCCC2)cc1 ZINC000014246622 558647625 /nfs/dbraw/zinc/64/76/25/558647625.db2.gz UBVHYQUUCQJYCW-HXUWFJFHSA-N 0 1 409.486 2.947 50 0 HFAAMN CNC(=O)c1nn(CCc2ccccc2)c2c1C[C@H](N(C)Cc1cc(C)no1)CC2 ZINC000014534601 558657588 /nfs/dbraw/zinc/65/75/88/558657588.db2.gz FCVUIGJFDPZNAB-GOSISDBHSA-N 0 1 407.518 2.771 50 0 HFAAMN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1c(F)cccc1F)C2 ZINC000014540071 558659717 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O=C(c1[nH]nc2ccccc21)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000015557592 558743730 /nfs/dbraw/zinc/74/37/30/558743730.db2.gz VCDUGHJSTQSGMD-UHFFFAOYSA-N 0 1 424.526 2.588 50 0 HFAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016010346 558766457 /nfs/dbraw/zinc/76/64/57/558766457.db2.gz BUPCYOAOQQHOCU-CMCWBKRRSA-N 0 1 401.466 2.680 50 0 HFAAMN CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]21 ZINC000016013037 558766722 /nfs/dbraw/zinc/76/67/22/558766722.db2.gz ISYMOTIRLZPECD-ORGXJRBJSA-N 0 1 409.873 2.921 50 0 HFAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000016022122 558767964 /nfs/dbraw/zinc/76/79/64/558767964.db2.gz SGNGLVARWSWUSU-COXOKUMDSA-N 0 1 403.910 2.905 50 0 HFAAMN COCCCN1C(=O)NC(=O)C(=C2C[C@@H](c3c(Cl)cccc3Cl)NN2)C1=O ZINC000017027987 558812223 /nfs/dbraw/zinc/81/22/23/558812223.db2.gz QOGQQCVXDVFMDW-CDZMIXDFSA-N 0 1 413.261 2.742 50 0 HFAAMN COc1ccccc1CNC(=O)c1nc[nH]c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000033003691 558826874 /nfs/dbraw/zinc/82/68/74/558826874.db2.gz PMLMIZGFCKADBC-UHFFFAOYSA-N 0 1 417.469 2.802 50 0 biogenic HFAAMN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN[C@H](C)c1ccc(F)c(F)c1 ZINC000058146528 558902086 /nfs/dbraw/zinc/90/20/86/558902086.db2.gz GOFARWICFFJOPH-CYBMUJFWSA-N 0 1 411.474 2.813 50 0 HFAAMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)cc1 ZINC000058162518 558906294 /nfs/dbraw/zinc/90/62/94/558906294.db2.gz AGQVKBUIKVGAQP-UHFFFAOYSA-N 0 1 424.525 2.926 50 0 HFAAMN CCCn1c2ccccc2n(CCC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)c1=O ZINC000058313780 558919090 /nfs/dbraw/zinc/91/90/90/558919090.db2.gz MXBBPSVCHDYXRF-NRFANRHFSA-N 0 1 418.501 2.935 50 0 HFAAMN O=C(C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)NCc1ccoc1 ZINC000072161209 558930219 /nfs/dbraw/zinc/93/02/19/558930219.db2.gz YODUCLPLMDMTEI-QHCPKHFHSA-N 0 1 417.509 2.918 50 0 HFAAMN Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2cc3ccccc3oc2=O)n1 ZINC000072441471 558981820 /nfs/dbraw/zinc/98/18/20/558981820.db2.gz TUZJJNYUPRMUPS-UHFFFAOYSA-N 0 1 407.474 2.724 50 0 HFAAMN Cc1ccc(S(=O)(=O)N2CCC3(CN(C)C[C@@H]3c3noc(C4CC4)n3)CC2)cc1 ZINC000097086772 558990856 /nfs/dbraw/zinc/99/08/56/558990856.db2.gz IYJCCBIRTZGMDJ-GOSISDBHSA-N 0 1 416.547 2.756 50 0 HFAAMN CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@H](c2cccnc2)[N@H+]1C ZINC000067674758 558991279 /nfs/dbraw/zinc/99/12/79/558991279.db2.gz VENNJWKYLQUDDZ-MHRUYAEQSA-N 0 1 403.523 2.580 50 0 HFAAMN Cc1cc(CNC(=O)[C@H]2C[C@@](CC(C)C)(C(=O)[O-])[N@H+](C)[C@H]2c2cccnc2)on1 ZINC000067946395 558994921 /nfs/dbraw/zinc/99/49/21/558994921.db2.gz JNNPCLPTMIKOOX-WFXMLNOXSA-N 0 1 400.479 2.557 50 0 HFAAMN C[C@@H](COC[C@@H](O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000022465291 558996206 /nfs/dbraw/zinc/99/62/06/558996206.db2.gz ZLRXENRVYNACMC-UGKGYDQZSA-N 0 1 412.530 2.714 50 0 HFAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc(F)cc2)CC1 ZINC000033278754 559042295 /nfs/dbraw/zinc/04/22/95/559042295.db2.gz UXMLWDHXTAFVCC-UHFFFAOYSA-N 0 1 415.465 2.772 50 0 HFAAMN CCc1nnn(-c2ccc(NC(=O)CSc3nc4ccc(OC)cc4[nH]3)cc2)n1 ZINC000098086799 559065099 /nfs/dbraw/zinc/06/50/99/559065099.db2.gz GIPXSOCTMSFZAK-UHFFFAOYSA-N 0 1 409.475 2.840 50 0 HFAAMN O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095499558 559081970 /nfs/dbraw/zinc/08/19/70/559081970.db2.gz DWJNFCZAKHNRKQ-UHFFFAOYSA-N 0 1 403.486 2.817 50 0 HFAAMN O=C([C@H]1Cc2ccccc2CN1)N1CCC2(CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000095503237 559082794 /nfs/dbraw/zinc/08/27/94/559082794.db2.gz SIOPUVGLTLRGKV-JOCHJYFZSA-N 0 1 403.526 2.742 50 0 HFAAMN O=C(CC[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1)NCc1ccc(F)c(F)c1 ZINC000095512899 559084462 /nfs/dbraw/zinc/08/44/62/559084462.db2.gz IWOJODZVXFNDTG-ZDUSSCGKSA-N 0 1 400.433 2.944 50 0 HFAAMN COc1ccc(N2C(=O)C[C@H](N3CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000096900607 559112614 /nfs/dbraw/zinc/11/26/14/559112614.db2.gz BWNOUZJRXJKPTO-GMAHTHKFSA-N 0 1 419.525 2.502 50 0 HFAAMN COC(=O)C1C(COc2ccc(F)cc2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000005018256 559228862 /nfs/dbraw/zinc/22/88/62/559228862.db2.gz PSKGEIWTXROOHN-LJQANCHMSA-N 0 1 416.405 2.703 50 0 HFAAMN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)c(OC)c1 ZINC000005150816 559253727 /nfs/dbraw/zinc/25/37/27/559253727.db2.gz WEYQQCOZRZWPJT-UHFFFAOYSA-N 0 1 411.443 2.609 50 0 HFAAMN Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)N1CCCCCC1 ZINC000011898731 559265492 /nfs/dbraw/zinc/26/54/92/559265492.db2.gz ZKKWXKJLHFCSRZ-HXUWFJFHSA-N 0 1 400.498 2.514 50 0 HFAAMN CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000005342104 560567889 /nfs/dbraw/zinc/56/78/89/560567889.db2.gz IKGQDFUZZJEFNF-PBQROFAYSA-N 0 1 415.493 2.676 50 0 HFAAMN NC(=O)C1CCN([C@@H]2CC(=O)N(CCC(c3ccccc3)c3ccccc3)C2=O)CC1 ZINC000004177980 560602502 /nfs/dbraw/zinc/60/25/02/560602502.db2.gz IHLMUVZOPPIBKB-JOCHJYFZSA-N 0 1 419.525 2.533 50 0 HFAAMN O=C1C[C@@H](NCc2ccccc2)C(=O)N1c1ccc(I)cc1 ZINC000100932686 560763480 /nfs/dbraw/zinc/76/34/80/560763480.db2.gz NTVYDMHUJPMPSJ-OAHLLOKOSA-N 0 1 406.223 2.713 50 0 HFAAMN COc1cc(NC(=O)CSc2nc(O)cc(=O)n2C2CCCC2)cc(OC)c1 ZINC000101044427 560767481 /nfs/dbraw/zinc/76/74/81/560767481.db2.gz OWHQFUUVSDRGOH-UHFFFAOYSA-N 0 1 405.476 2.812 50 0 HFAAMN COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C2CCCC2)cc1OC ZINC000101046226 560767658 /nfs/dbraw/zinc/76/76/58/560767658.db2.gz CZRALUIQKWDRNG-UHFFFAOYSA-N 0 1 405.476 2.812 50 0 HFAAMN O=C(c1ccc2c(c1)OCO2)N1CCC(O)([C@@H]2CCN3Cc4ccccc4N=C23)CC1 ZINC000101514164 560796905 /nfs/dbraw/zinc/79/69/05/560796905.db2.gz AAZGVISJEQDCKF-GOSISDBHSA-N 0 1 419.481 2.948 50 0 biogenic HFAAMN COc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000085690418 560852898 /nfs/dbraw/zinc/85/28/98/560852898.db2.gz PRBAJXAPNGOAPH-MRXNPFEDSA-N 0 1 405.458 2.971 50 0 HFAAMN Cc1nc(CSCC(=O)NCc2ccccc2CN2CCN(C)CC2)cs1 ZINC000046935221 560879486 /nfs/dbraw/zinc/87/94/86/560879486.db2.gz AOAAOERUCKRQHZ-UHFFFAOYSA-N 0 1 404.605 2.749 50 0 HFAAMN CN(C)[C@H](CNC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)c1cccs1 ZINC000048160858 568432183 /nfs/dbraw/zinc/43/21/83/568432183.db2.gz ISHPNUKUYDIYIR-GOSISDBHSA-N 0 1 416.547 2.574 50 0 HFAAMN O[C@@H](Cn1cccn1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000048234763 568432692 /nfs/dbraw/zinc/43/26/92/568432692.db2.gz KKIWQRDQAWSIQR-JOCHJYFZSA-N 0 1 412.484 2.929 50 0 HFAAMN CN(CCNS(=O)(=O)c1cc(Br)ccc1Br)C1CC1 ZINC000048288019 568434713 /nfs/dbraw/zinc/43/47/13/568434713.db2.gz ZKWVKCNTRQTNDU-UHFFFAOYSA-N 0 1 412.147 2.584 50 0 HFAAMN CN(C)[C@H](CNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cn(C)c2ccccc12 ZINC000021696160 568466986 /nfs/dbraw/zinc/46/69/86/568466986.db2.gz PWSIEUWFOQDGDA-LJQANCHMSA-N 0 1 415.515 2.531 50 0 HFAAMN CCOc1ccccc1OCC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000095464055 568622374 /nfs/dbraw/zinc/62/23/74/568622374.db2.gz RXKWGVFIOOWYAK-QHCPKHFHSA-N 0 1 412.486 2.700 50 0 HFAAMN COc1cn(CC(=O)N[C@@H](C)CCc2ccccc2)c(CN2CCCCC2)cc1=O ZINC000095478900 568631954 /nfs/dbraw/zinc/63/19/54/568631954.db2.gz KYWQITRCBAKKDX-IBGZPJMESA-N 0 1 411.546 2.980 50 0 HFAAMN COc1cn(CC(=O)N[C@H](C)CCc2ccccc2)c(CN2CCCCC2)cc1=O ZINC000095478901 568632011 /nfs/dbraw/zinc/63/20/11/568632011.db2.gz KYWQITRCBAKKDX-LJQANCHMSA-N 0 1 411.546 2.980 50 0 HFAAMN O=C1Nc2ccccc2[C@]12N[C@@H](Cc1ccccc1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020611413 568637258 /nfs/dbraw/zinc/63/72/58/568637258.db2.gz QBDRECKUDUUQCL-UGCAPWQASA-N 0 1 415.493 2.592 50 0 biogenic HFAAMN CC(C)(C(=O)N1CCC[C@@H](c2[nH]ncc2NS(C)(=O)=O)C1)c1ccc(F)cc1 ZINC000095998650 568679839 /nfs/dbraw/zinc/67/98/39/568679839.db2.gz VQZXDKNORFNKDU-CYBMUJFWSA-N 0 1 408.499 2.604 50 0 HFAAMN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1cc(-c2ccccc2)n[nH]1 ZINC000096113817 568693270 /nfs/dbraw/zinc/69/32/70/568693270.db2.gz CJCKHGATFDSVOG-IBGZPJMESA-N 0 1 401.426 2.886 50 0 biogenic HFAAMN COc1ccc(OC)c(COC[C@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000012420235 568719371 /nfs/dbraw/zinc/71/93/71/568719371.db2.gz LXWIQDALDDOVDN-LJQANCHMSA-N 0 1 417.502 2.657 50 0 HFAAMN COc1ccc(OC)c(COC[C@H](O)CN2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000012420235 568719374 /nfs/dbraw/zinc/71/93/74/568719374.db2.gz LXWIQDALDDOVDN-LJQANCHMSA-N 0 1 417.502 2.657 50 0 HFAAMN CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CC[NH+](CC)CC3)c([O-])n2n1 ZINC000022578127 568770038 /nfs/dbraw/zinc/77/00/38/568770038.db2.gz UMRVLEMXRKIHRV-QGZVFWFLSA-N 0 1 401.536 2.794 50 0 HFAAMN COc1ccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)c(OC)c1 ZINC000057477180 568839466 /nfs/dbraw/zinc/83/94/66/568839466.db2.gz ANMGIVTVKJQTAI-UHFFFAOYSA-N 0 1 416.478 2.787 50 0 HFAAMN CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000012520957 568841559 /nfs/dbraw/zinc/84/15/59/568841559.db2.gz ZSIYQGWZOZHNJT-UHFFFAOYSA-N 0 1 405.295 2.621 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000012521440 568841905 /nfs/dbraw/zinc/84/19/05/568841905.db2.gz VGSCDEIIOFAFAI-HUUCEWRRSA-N 0 1 404.488 2.745 50 0 HFAAMN COC(=O)c1ccc(C)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000029939673 568853282 /nfs/dbraw/zinc/85/32/82/568853282.db2.gz GLUJEDKVKAPUTQ-UHFFFAOYSA-N 0 1 402.516 2.725 50 0 HFAAMN COC(=O)c1cn([C@H](Cc2ccccc2)c2n[nH]c(C(C)C)n2)cc2c(=O)[nH]nc1-2 ZINC000263588832 568884522 /nfs/dbraw/zinc/88/45/22/568884522.db2.gz YZLACKYXXVVKAG-MRXNPFEDSA-N 0 1 406.446 2.536 50 0 HFAAMN Cc1[nH]ncc1CNC(=O)[C@H](Cc1cn(C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000263588885 568884534 /nfs/dbraw/zinc/88/45/34/568884534.db2.gz ZLUJCYVYRQDIOV-SFHVURJKSA-N 0 1 411.506 2.962 50 0 HFAAMN COC(=O)c1cn([C@@H](Cc2ccccc2)c2n[nH]c(C(C)C)n2)cc2c(=O)[nH]nc1-2 ZINC000263588831 568884558 /nfs/dbraw/zinc/88/45/58/568884558.db2.gz YZLACKYXXVVKAG-INIZCTEOSA-N 0 1 406.446 2.536 50 0 HFAAMN CC[NH+](CC)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000012744149 568930301 /nfs/dbraw/zinc/93/03/01/568930301.db2.gz ZIKURQLNPLPEGU-UHFFFAOYSA-N 0 1 405.520 2.568 50 0 HFAAMN Cc1cc(N(C)C)nc(NCCNS(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000038488330 568997556 /nfs/dbraw/zinc/99/75/56/568997556.db2.gz OEVWAMVTCMDYMO-UHFFFAOYSA-N 0 1 404.323 2.548 50 0 HFAAMN CCN1CCN(c2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)CC1 ZINC000015779402 569001652 /nfs/dbraw/zinc/00/16/52/569001652.db2.gz LBMXHFZRTQIWBL-UHFFFAOYSA-N 0 1 416.367 2.939 50 0 HFAAMN COc1ccc(CN2CCN(Cc3cc(CC(C)C)[nH]n3)C[C@H]2CCO)cc1C ZINC000104468029 569008836 /nfs/dbraw/zinc/00/88/36/569008836.db2.gz RAYCSIYHBFXWGA-JOCHJYFZSA-N 0 1 400.567 2.994 50 0 HFAAMN Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016000587 569025442 /nfs/dbraw/zinc/02/54/42/569025442.db2.gz QDMNMWPJLHBOTO-UAKAABGRSA-N 0 1 419.456 2.874 50 0 HFAAMN O=C(c1cc(-c2ccc(F)cc2F)[nH]n1)N1CCN(c2cc3c(nn2)CCC3)CC1 ZINC000575621421 569039007 /nfs/dbraw/zinc/03/90/07/569039007.db2.gz WWFAWSHHQTXICY-UHFFFAOYSA-N 0 1 410.428 2.596 50 0 HFAAMN CC(C)C[C@H](C(=O)NC[C@H](c1cccs1)N(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245264200 569055613 /nfs/dbraw/zinc/05/56/13/569055613.db2.gz BZXBUIDYQNGCMI-BRSBDYLESA-N 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50 0 HFAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1F)C(=O)OC ZINC000252517779 569292245 /nfs/dbraw/zinc/29/22/45/569292245.db2.gz RAVLGLKZXXZFLT-LIXBPZJASA-N 0 1 406.433 2.933 50 0 HFAAMN COc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n[nH]2)cc1OC ZINC000225414832 569395078 /nfs/dbraw/zinc/39/50/78/569395078.db2.gz LKPHQANQHCIRMC-ZBFHGGJFSA-N 0 1 420.469 2.515 50 0 biogenic HFAAMN Cc1cc(=O)c(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000079057434 569426054 /nfs/dbraw/zinc/42/60/54/569426054.db2.gz VPCSRBPMWHSJJO-SWLSCSKDSA-N 0 1 420.435 2.915 50 0 HFAAMN Cc1cc(=O)c(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000079057442 569426072 /nfs/dbraw/zinc/42/60/72/569426072.db2.gz VPCSRBPMWHSJJO-IUODEOHRSA-N 0 1 420.435 2.915 50 0 HFAAMN CCS(=O)(=O)c1ncc(CN(C)CCN2CCCC2)n1CCCc1ccccc1 ZINC000019841963 569431075 /nfs/dbraw/zinc/43/10/75/569431075.db2.gz JPQLIZRWQWUIFN-UHFFFAOYSA-N 0 1 418.607 2.837 50 0 HFAAMN 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CCCCCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000045966668 520160989 /nfs/dbraw/zinc/16/09/89/520160989.db2.gz IQWADEBNMNXBRA-UHFFFAOYSA-N 0 1 410.356 2.903 50 0 HFAAMN CCOc1ccccc1NC(=O)CC1C(=O)Nc2nc(-c3ccc(OC)cc3)nn21 ZINC000031813623 521533589 /nfs/dbraw/zinc/53/35/89/521533589.db2.gz IPKAENIPNATMOF-MRXNPFEDSA-N 0 1 407.430 2.874 50 0 HFAAMN COC(=O)c1ccc(OC)c(NC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c1 ZINC000040309446 522142821 /nfs/dbraw/zinc/14/28/21/522142821.db2.gz BVMQYBQHYOGNRZ-IBGZPJMESA-N 0 1 407.430 2.780 50 0 biogenic HFAAMN COc1ccc(C(=O)O[C@@H]2C[C@H](C)OC2=O)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000032895374 523772243 /nfs/dbraw/zinc/77/22/43/523772243.db2.gz IXBRDQJGRQMESK-SUMWQHHRSA-N 0 1 419.455 2.665 50 0 HFAAMN Cc1cccc(CN2c3cc(C(=O)NCCN4CCN(C)CC4)ccc3OC[C@@H]2C)c1 ZINC000040455637 524409759 /nfs/dbraw/zinc/40/97/59/524409759.db2.gz JHZZMUCERAKZJI-FQEVSTJZSA-N 0 1 422.573 2.760 50 0 HFAAMN COc1cccc(CN(CCC(=O)N2CCNCC2)C(=O)c2cccc(Cl)c2)c1 ZINC000045966708 525919987 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COc1ccc2cc([C@@H](C)C(=O)OCC(=O)Nc3nc(SC)n[nH]3)ccc2c1 ZINC000008561659 571081912 /nfs/dbraw/zinc/08/19/12/571081912.db2.gz KTAFRTYVMXWKSY-LLVKDONJSA-N 0 1 400.460 2.974 50 0 HFAAMN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000008607731 571092957 /nfs/dbraw/zinc/09/29/57/571092957.db2.gz IKSOFXIUUUOROE-HSZRJFAPSA-N 0 1 420.557 2.683 50 0 HFAAMN CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000008607735 571093029 /nfs/dbraw/zinc/09/30/29/571093029.db2.gz IKSOFXIUUUOROE-QHCPKHFHSA-N 0 1 420.557 2.683 50 0 HFAAMN CCCN(C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000008725529 571108197 /nfs/dbraw/zinc/10/81/97/571108197.db2.gz IXLWTIJGGZPGNZ-KRWDZBQOSA-N 0 1 421.588 2.827 50 0 HFAAMN COc1ccc2nc(SCC(=O)NCC(=O)Nc3cc(C)ccc3OC)[nH]c2c1 ZINC000008760020 571114036 /nfs/dbraw/zinc/11/40/36/571114036.db2.gz SFMMRIDMIMVNNE-UHFFFAOYSA-N 0 1 414.487 2.736 50 0 HFAAMN COc1ccc([C@H](CNC(=O)c2ccc(-n3cnnn3)cc2)N2CCCCC2)cc1 ZINC000008937602 571165073 /nfs/dbraw/zinc/16/50/73/571165073.db2.gz HMBGUHSZHXKEAC-NRFANRHFSA-N 0 1 406.490 2.628 50 0 HFAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(C2CCCCCC2)c1=O ZINC000009319818 571247897 /nfs/dbraw/zinc/24/78/97/571247897.db2.gz HQECRVLCHNZMNR-FQEVSTJZSA-N 0 1 424.501 2.863 50 0 biogenic HFAAMN CCOc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(CCC4=CCCCC4)C3=O)NN2)cc1 ZINC000009330666 571248652 /nfs/dbraw/zinc/24/86/52/571248652.db2.gz VSBHPLLMYKGZFT-PXBNPBHZSA-N 0 1 424.501 2.847 50 0 HFAAMN Cc1cccc(OCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000009338461 571249497 /nfs/dbraw/zinc/24/94/97/571249497.db2.gz IILDYUTVXOSSSV-UHFFFAOYSA-N 0 1 412.471 2.993 50 0 HFAAMN CSc1nc2nc(C)c(CC(=O)NC[C@@H](c3ccco3)N3CCCC3)c(C)n2n1 ZINC000009514866 571264811 /nfs/dbraw/zinc/26/48/11/571264811.db2.gz HHCHZKFOLQRPOJ-INIZCTEOSA-N 0 1 414.535 2.552 50 0 HFAAMN CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)c1 ZINC000009684075 571279318 /nfs/dbraw/zinc/27/93/18/571279318.db2.gz 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CN1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3F)cn2)CC1 ZINC000012612846 536423226 /nfs/dbraw/zinc/42/32/26/536423226.db2.gz VFIHEVQXFOBUIX-UHFFFAOYSA-N 0 1 423.286 2.753 50 0 HFAAMN Cc1ccc(NC(=O)c2coc(CN3CCN(C[C@@H](O)C(C)C)CC3)n2)cc1F ZINC000034677457 557364840 /nfs/dbraw/zinc/36/48/40/557364840.db2.gz SHTCSPPUXLSSME-LJQANCHMSA-N 0 1 404.486 2.509 50 0 HFAAMN CCCC[C@@H](O)CN1CCN(Cc2nc(C(=O)NCC3CCCCC3)co2)CC1 ZINC000034677497 557365223 /nfs/dbraw/zinc/36/52/23/557365223.db2.gz SXSROKSXNLDDNF-LJQANCHMSA-N 0 1 406.571 2.653 50 0 HFAAMN CCOC(=O)[C@](NC(=O)c1ccccc1Cl)(Nc1ncccn1)C(F)(F)F ZINC000003103405 557446779 /nfs/dbraw/zinc/44/67/79/557446779.db2.gz SEPGRUHGERDJLQ-HNNXBMFYSA-N 0 1 402.760 2.794 50 0 HFAAMN COc1ccc(OC)c(N2C(=O)C[C@@H]([C@@H]3CCCC=C3N3CCOCC3)C2=O)c1 ZINC000005015814 557626155 /nfs/dbraw/zinc/62/61/55/557626155.db2.gz MEEMMDQFRGTIMD-IRXDYDNUSA-N 0 1 400.475 2.600 50 0 HFAAMN Cc1cc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)ccc1F ZINC000022795119 557822295 /nfs/dbraw/zinc/82/22/95/557822295.db2.gz KLXXNIUHCZKAEW-FQEVSTJZSA-N 0 1 409.502 2.540 50 0 HFAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)c2ccc(F)cc2)CC1 ZINC000022796016 557822766 /nfs/dbraw/zinc/82/27/66/557822766.db2.gz UTBNOTSDWFHQAD-IBGZPJMESA-N 0 1 418.900 2.523 50 0 HFAAMN Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCN(C)CC2)n3C)c1 ZINC000022822061 557832895 /nfs/dbraw/zinc/83/28/95/557832895.db2.gz YTGMPDYSTSIKRY-UHFFFAOYSA-N 0 1 407.518 2.647 50 0 HFAAMN COCc1ccc(CN2CCC[C@@H](CNC(=O)COc3ccccc3OC)C2)o1 ZINC000011813563 558278191 /nfs/dbraw/zinc/27/81/91/558278191.db2.gz BTNOVGQXYVHUKA-KRWDZBQOSA-N 0 1 402.491 2.842 50 0 HFAAMN O=C(Nc1ccnn1C1CCN(Cc2ccc3nsnc3c2)CC1)[C@H]1CCOC1 ZINC000011817368 558280578 /nfs/dbraw/zinc/28/05/78/558280578.db2.gz IFXIZMNLPDVMHD-HNNXBMFYSA-N 0 1 412.519 2.700 50 0 HFAAMN COc1ccc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3sccn23)cc1 ZINC000011819623 558282654 /nfs/dbraw/zinc/28/26/54/558282654.db2.gz LBRLNPWXTNFQAS-GASCZTMLSA-N 0 1 414.531 2.944 50 0 HFAAMN Cc1oc(-c2ccc(F)cc2F)nc1CN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000011879209 558293886 /nfs/dbraw/zinc/29/38/86/558293886.db2.gz OGEHAQOFMSRTIY-HNNXBMFYSA-N 0 1 405.445 2.999 50 0 HFAAMN COc1ccc(N2C(=O)C[C@@H](N3CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000019889680 558302791 /nfs/dbraw/zinc/30/27/91/558302791.db2.gz BWNOUZJRXJKPTO-JTHBVZDNSA-N 0 1 419.525 2.502 50 0 HFAAMN CCOC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000020283966 558353656 /nfs/dbraw/zinc/35/36/56/558353656.db2.gz LKEWSKKVWDIGFR-JOCHJYFZSA-N 0 1 420.513 2.680 50 0 HFAAMN CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000020331601 558355953 /nfs/dbraw/zinc/35/59/53/558355953.db2.gz WUAQQLKZLBTOKE-HNENSFHCSA-N 0 1 415.490 2.869 50 0 HFAAMN Cc1ccccc1CN1CCN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000022024809 558458755 /nfs/dbraw/zinc/45/87/55/558458755.db2.gz BWOXDXWGKLGZKK-OAQYLSRUSA-N 0 1 422.573 2.976 50 0 HFAAMN COC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000024259101 558593354 /nfs/dbraw/zinc/59/33/54/558593354.db2.gz PXEVUNBZJZWRPU-UHFFFAOYSA-N 0 1 410.879 2.764 50 0 HFAAMN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1ccccn1)CC2 ZINC000014543080 558660874 /nfs/dbraw/zinc/66/08/74/558660874.db2.gz MHMFJODYLLPLSL-UHFFFAOYSA-N 0 1 408.502 2.909 50 0 HFAAMN CC(=O)N1c2ccc(S(=O)(=O)NNc3ccc(C(F)(F)F)cn3)cc2C[C@H]1C ZINC000028686714 558703610 /nfs/dbraw/zinc/70/36/10/558703610.db2.gz ZJQGUNOIMVDBTK-SNVBAGLBSA-N 0 1 414.409 2.703 50 0 HFAAMN C[C@H]1C[C@H]1C(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F ZINC000072280906 558705963 /nfs/dbraw/zinc/70/59/63/558705963.db2.gz YPUGYUCHBASETK-WMLDXEAASA-N 0 1 412.347 2.820 50 0 HFAAMN O=C(CCc1cnccn1)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000015078468 558717681 /nfs/dbraw/zinc/71/76/81/558717681.db2.gz LETFWXKHGSLFDV-NRFANRHFSA-N 0 1 413.953 2.876 50 0 HFAAMN Cc1cc(C)n(C[C@H](C)CNC(=O)C2(NC(=O)c3n[nH]c4ccccc43)CCCC2)n1 ZINC000072301582 558751669 /nfs/dbraw/zinc/75/16/69/558751669.db2.gz VNWUUXQZYSJQIH-OAHLLOKOSA-N 0 1 422.533 2.871 50 0 HFAAMN Cc1ccc2c(c1)[C@]1(N[C@H](Cc3ccccc3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 ZINC000016024800 558768634 /nfs/dbraw/zinc/76/86/34/558768634.db2.gz UOQXEJGQAWLTSH-MVOHMCPASA-N 0 1 417.509 2.757 50 0 HFAAMN CCOC(=O)[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000058337787 558920296 /nfs/dbraw/zinc/92/02/96/558920296.db2.gz XXAIABKDWYDYHF-PXNSSMCTSA-N 0 1 421.969 2.868 50 0 HFAAMN Cc1nc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cs1 ZINC000021785502 558950134 /nfs/dbraw/zinc/95/01/34/558950134.db2.gz ONPNVTADDGKJOU-UHFFFAOYSA-N 0 1 403.489 2.532 50 0 HFAAMN Cc1cc(C)cc(NC(=O)N2CCN(c3nc(C)cc(N4CCOCC4)n3)CC2)c1 ZINC000065364465 558975620 /nfs/dbraw/zinc/97/56/20/558975620.db2.gz LIMJZZAZFMBHPG-UHFFFAOYSA-N 0 1 410.522 2.593 50 0 HFAAMN CCN1CCN([C@@H](c2cccnc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000023086558 558999937 /nfs/dbraw/zinc/99/99/37/558999937.db2.gz YYVOGISQJWHQLE-QFIPXVFZSA-N 0 1 408.502 2.626 50 0 HFAAMN CCS[C@@H](C)C(=O)N1CCc2ccc(S(=O)(=O)Nc3cccnc3)cc2C1 ZINC000077379630 559003028 /nfs/dbraw/zinc/00/30/28/559003028.db2.gz OQAGXPARISMFEZ-AWEZNQCLSA-N 0 1 405.545 2.909 50 0 HFAAMN O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000091713135 559073163 /nfs/dbraw/zinc/07/31/63/559073163.db2.gz NNENLFUDGYFQEB-AEFFLSMTSA-N 0 1 400.441 2.641 50 0 HFAAMN O=C(c1cnon1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095524053 559085733 /nfs/dbraw/zinc/08/57/33/559085733.db2.gz NFFZSVADNLGBQE-GOSISDBHSA-N 0 1 402.470 2.742 50 0 HFAAMN Cc1cc(NC(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)n(-c2ccncc2)n1 ZINC000072303448 559124190 /nfs/dbraw/zinc/12/41/90/559124190.db2.gz LZPWYEUHEGYCBT-KRWDZBQOSA-N 0 1 408.481 2.864 50 0 HFAAMN Cc1ccc(N2C(=O)C[C@H](N3CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000100427120 559135197 /nfs/dbraw/zinc/13/51/97/559135197.db2.gz QNPPOHQNSDTRLK-PKTZIBPZSA-N 0 1 403.526 2.802 50 0 HFAAMN COC(=O)C1C(CN2CCc3ccccc32)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000004934911 559210032 /nfs/dbraw/zinc/21/00/32/559210032.db2.gz QSMWGSUIMIUBAD-NRFANRHFSA-N 0 1 423.469 2.548 50 0 HFAAMN COC(CNC(=O)C1CCN(Cc2nc(-c3ccccc3C)oc2C)CC1)OC ZINC000005043359 559236186 /nfs/dbraw/zinc/23/61/86/559236186.db2.gz GXPNUNFHURYNGS-UHFFFAOYSA-N 0 1 401.507 2.906 50 0 HFAAMN Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[nH]2)c1 ZINC000005078240 559241965 /nfs/dbraw/zinc/24/19/65/559241965.db2.gz ZWIJZKVNQTXCCJ-UHFFFAOYSA-N 0 1 409.471 2.644 50 0 HFAAMN COc1c2c(cc3c1[C@@H](CC(=O)C=C([O-])c1c(C)nn(C)c1C)[N@H+](C)CC3)OCO2 ZINC000100769165 559265159 /nfs/dbraw/zinc/26/51/59/559265159.db2.gz LBGBFARVOLIROP-MRXNPFEDSA-N 0 1 413.474 2.535 50 0 biogenic HFAAMN COc1c2c(cc3c1[C@@H](CC(=O)C=C([O-])c1c(C)nn(C)c1C)[N@@H+](C)CC3)OCO2 ZINC000100769165 559265161 /nfs/dbraw/zinc/26/51/61/559265161.db2.gz LBGBFARVOLIROP-MRXNPFEDSA-N 0 1 413.474 2.535 50 0 biogenic HFAAMN COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCCC[C@H]43)C2=O)cc1 ZINC000248149598 559275167 /nfs/dbraw/zinc/27/51/67/559275167.db2.gz VFSPTJATRPQFKQ-CVDCTZTESA-N 0 1 405.454 2.880 50 0 HFAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc(OC)nn3)c2)c1 ZINC000005204175 560538515 /nfs/dbraw/zinc/53/85/15/560538515.db2.gz HZGTYLRCOMEKMY-UHFFFAOYSA-N 0 1 401.444 2.970 50 0 HFAAMN O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCc2ccccc2C1 ZINC000585148687 560741827 /nfs/dbraw/zinc/74/18/27/560741827.db2.gz AVSQBFNMUPAHSS-GOSISDBHSA-N 0 1 404.495 2.720 50 0 HFAAMN COc1ccccc1N1C(=O)[C@@H]2ON=C(c3ccc(Br)cc3)C2=C1O ZINC000101344145 560793146 /nfs/dbraw/zinc/79/31/46/560793146.db2.gz KYZPXRYVJLYDBS-GOEBONIOSA-N 0 1 401.216 2.750 50 0 HFAAMN O=c1occ(C[NH+]2CCCCC2)c([O-])c1CN1CCN(c2ccc(F)cc2)CC1 ZINC000101374880 560793518 /nfs/dbraw/zinc/79/35/18/560793518.db2.gz JOGLIJJQSPULBO-UHFFFAOYSA-N 0 1 401.482 2.793 50 0 HFAAMN COc1cccc(N2CCN(Cc3coc(=O)c(C[NH+]4CCCCC4)c3[O-])CC2)c1 ZINC000101410655 560794493 /nfs/dbraw/zinc/79/44/93/560794493.db2.gz OUHCTDOFIOVMCC-UHFFFAOYSA-N 0 1 413.518 2.662 50 0 HFAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=NN[C@@H](c2c[nH]c3ccccc32)C1 ZINC000101763214 560800943 /nfs/dbraw/zinc/80/09/43/560800943.db2.gz IGVBCHZKDXKIIP-MRXNPFEDSA-N 0 1 421.844 2.805 50 0 HFAAMN Cc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1 ZINC000085690653 560853357 /nfs/dbraw/zinc/85/33/57/560853357.db2.gz VWVOJKVYISWOAA-LJQANCHMSA-N 0 1 403.486 2.949 50 0 HFAAMN COc1ccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)cc1OC ZINC000012149130 560890378 /nfs/dbraw/zinc/89/03/78/560890378.db2.gz UPDGRPDBDLWHCK-UHFFFAOYSA-N 0 1 401.511 2.518 50 0 HFAAMN Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000106535313 560892268 /nfs/dbraw/zinc/89/22/68/560892268.db2.gz QAJZBSFVLUGAKL-ORQYLMBXSA-N 0 1 405.429 2.565 50 0 HFAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000107178740 560895948 /nfs/dbraw/zinc/89/59/48/560895948.db2.gz VGALMWHJMZRZSC-XMODTWTHSA-N 0 1 419.456 2.874 50 0 HFAAMN Cc1ccc(-c2n[nH]c(SCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000048326259 568437981 /nfs/dbraw/zinc/43/79/81/568437981.db2.gz 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COC(=O)C[C@H](c1ccc2nccnc2c1)c1c(O)nc2ccc(Cl)cn2c1=O ZINC000096117227 568696736 /nfs/dbraw/zinc/69/67/36/568696736.db2.gz UOCVVCNJFSKGAE-CYBMUJFWSA-N 0 1 410.817 2.692 50 0 HFAAMN COC(=O)C[C@H](c1cccc(Oc2ncccn2)c1)c1c(O)nc2ccccn2c1=O ZINC000096118384 568698136 /nfs/dbraw/zinc/69/81/36/568698136.db2.gz WWBAOJFWQUDPTM-MRXNPFEDSA-N 0 1 418.409 2.677 50 0 HFAAMN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)CC2)cc1 ZINC000096324574 568733855 /nfs/dbraw/zinc/73/38/55/568733855.db2.gz NUQLHIOHWCJWTA-UHFFFAOYSA-N 0 1 403.486 2.949 50 0 HFAAMN Cc1cc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)ccc1F ZINC000022579331 568770321 /nfs/dbraw/zinc/77/03/21/568770321.db2.gz KLXXNIUHCZKAEW-HXUWFJFHSA-N 0 1 409.502 2.540 50 0 HFAAMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000225730243 568780011 /nfs/dbraw/zinc/78/00/11/568780011.db2.gz PNPJBFYEHWLBDJ-UHFFFAOYSA-N 0 1 408.409 2.909 50 0 HFAAMN COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414561 568833739 /nfs/dbraw/zinc/83/37/39/568833739.db2.gz VVFQTCVTHPTBKG-OAQYLSRUSA-N 0 1 407.470 2.535 50 0 HFAAMN NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NC[C@H](c3ccco3)N3CCCCC3)cc2)C1 ZINC000230080759 568834368 /nfs/dbraw/zinc/83/43/68/568834368.db2.gz APEHPHJHKLAIIZ-TZIWHRDSSA-N 0 1 424.545 2.938 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000012521439 568841884 /nfs/dbraw/zinc/84/18/84/568841884.db2.gz VGSCDEIIOFAFAI-GJZGRUSLSA-N 0 1 404.488 2.745 50 0 HFAAMN Cc1ccc(-c2cc(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)n[nH]2)s1 ZINC000012544719 568849411 /nfs/dbraw/zinc/84/94/11/568849411.db2.gz DZSDXJVFGGMONH-UHFFFAOYSA-N 0 1 415.563 2.607 50 0 HFAAMN Cn1cc(S(=O)(=O)[N-]c2ccccc2C[N@H+](C)C2CCCCC2)cc1C(N)=O ZINC000029966352 568854017 /nfs/dbraw/zinc/85/40/17/568854017.db2.gz MLBBQDDXHDNUQK-UHFFFAOYSA-N 0 1 404.536 2.689 50 0 HFAAMN Cn1cc(S(=O)(=O)[N-]c2ccccc2C[N@@H+](C)C2CCCCC2)cc1C(N)=O ZINC000029966352 568854020 /nfs/dbraw/zinc/85/40/20/568854020.db2.gz MLBBQDDXHDNUQK-UHFFFAOYSA-N 0 1 404.536 2.689 50 0 HFAAMN CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1O ZINC000003984827 568931223 /nfs/dbraw/zinc/93/12/23/568931223.db2.gz XVXHKSUNKDKOLL-OAQYLSRUSA-N 0 1 419.481 2.651 50 0 biogenic HFAAMN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000012745634 568931343 /nfs/dbraw/zinc/93/13/43/568931343.db2.gz MYJOMJNOBSZKEC-FQEVSTJZSA-N 0 1 419.522 2.608 50 0 HFAAMN CCN(C(=O)Nc1ccccc1N1CCN(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000084761224 568958421 /nfs/dbraw/zinc/95/84/21/568958421.db2.gz XSWJXSVNOHZTOT-UHFFFAOYSA-N 0 1 417.554 2.912 50 0 HFAAMN O=C(Nc1nc[nH]n1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006147060 569014632 /nfs/dbraw/zinc/01/46/32/569014632.db2.gz KVBFHDWSLSRSKB-UHFFFAOYSA-N 0 1 422.264 2.620 50 0 HFAAMN C[C@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc2c(c1)OCO2 ZINC000025061949 569033178 /nfs/dbraw/zinc/03/31/78/569033178.db2.gz MGAZOXRGCDNTAJ-FUHWJXTLSA-N 0 1 409.486 2.943 50 0 HFAAMN O=C(c1cc(-c2ccncc2)[nH]n1)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 ZINC000035508014 569041038 /nfs/dbraw/zinc/04/10/38/569041038.db2.gz DPNABNSYRDXOTR-HXUWFJFHSA-N 0 1 415.497 2.909 50 0 HFAAMN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCCN2[C@]32c3ccccc3NC2=O)c1C ZINC000035779869 569047990 /nfs/dbraw/zinc/04/79/90/569047990.db2.gz GVWZADMWGSTISR-CMCWBKRRSA-N 0 1 401.466 2.735 50 0 biogenic HFAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035851818 569063056 /nfs/dbraw/zinc/06/30/56/569063056.db2.gz JGNGGJRBZOPUSD-MTXNFPGFSA-N 0 1 419.456 2.819 50 0 HFAAMN CCC(NCc1cc(OC)cc(OC)c1)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000006620558 569074890 /nfs/dbraw/zinc/07/48/90/569074890.db2.gz TWFZULOJKNFFFT-FMQUCBEESA-N 0 1 423.469 2.736 50 0 HFAAMN CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC[NH+](CC)CC)cc2)cc1 ZINC000006623326 569075122 /nfs/dbraw/zinc/07/51/22/569075122.db2.gz XCEZWTDBUVZPJY-UHFFFAOYSA-N 0 1 419.547 2.958 50 0 HFAAMN Cc1cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)nc(N2CCCC2)n1 ZINC000064799746 569097263 /nfs/dbraw/zinc/09/72/63/569097263.db2.gz AISODIQXTVABMM-UHFFFAOYSA-N 0 1 420.311 2.703 50 0 HFAAMN CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)n1 ZINC000064800688 569097355 /nfs/dbraw/zinc/09/73/55/569097355.db2.gz LXINHBCHIOCPST-UHFFFAOYSA-N 0 1 403.552 2.653 50 0 HFAAMN CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)n1 ZINC000064800682 569097471 /nfs/dbraw/zinc/09/74/71/569097471.db2.gz LEPZSHCSJCKFBE-UHFFFAOYSA-N 0 1 403.552 2.653 50 0 HFAAMN CCOc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2OC)cc1 ZINC000064837065 569105000 /nfs/dbraw/zinc/10/50/00/569105000.db2.gz CHGBTYHGCAXOEA-UHFFFAOYSA-N 0 1 401.444 2.645 50 0 HFAAMN COc1ccc2nc(SCC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 ZINC000006930914 569184237 /nfs/dbraw/zinc/18/42/37/569184237.db2.gz AMNLCSYSKNHASB-AWEZNQCLSA-N 0 1 423.560 2.622 50 0 HFAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 ZINC000036585428 569203152 /nfs/dbraw/zinc/20/31/52/569203152.db2.gz JMLOYIXDCGQZOK-NVXWUHKLSA-N 0 1 406.483 2.501 50 0 HFAAMN COc1ccccc1[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc21)N1CCCC1 ZINC000009954787 569252587 /nfs/dbraw/zinc/25/25/87/569252587.db2.gz YMWNTYULZAHPAL-LJQANCHMSA-N 0 1 406.486 2.509 50 0 HFAAMN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000252536758 569293017 /nfs/dbraw/zinc/29/30/17/569293017.db2.gz JMWWCDKFTJTNGL-MRXNPFEDSA-N 0 1 410.478 2.581 50 0 HFAAMN O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000252536758 569293019 /nfs/dbraw/zinc/29/30/19/569293019.db2.gz JMWWCDKFTJTNGL-MRXNPFEDSA-N 0 1 410.478 2.581 50 0 HFAAMN C[C@H](C(=O)NCCN(C)C)n1ccs/c1=N\C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037428303 569298783 /nfs/dbraw/zinc/29/87/83/569298783.db2.gz VYAPOZXYIOEVNC-ROUHYJKNSA-N 0 1 415.346 2.836 50 0 HFAAMN C[C@H](N[C@@H](CO)c1ccccc1F)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000253396879 569365291 /nfs/dbraw/zinc/36/52/91/569365291.db2.gz VKHUFDWODBUPNP-NDXORKPFSA-N 0 1 402.466 2.875 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@]2(C)CCCO2)cc1 ZINC000079070825 569426679 /nfs/dbraw/zinc/42/66/79/569426679.db2.gz MOLWWKWDKVDPFH-FQEVSTJZSA-N 0 1 404.488 2.795 50 0 HFAAMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)n1 ZINC000079479203 569431644 /nfs/dbraw/zinc/43/16/44/569431644.db2.gz DWOBGBBAFLNTJF-OAHLLOKOSA-N 0 1 407.478 2.742 50 0 HFAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040079679 571154986 /nfs/dbraw/zinc/15/49/86/571154986.db2.gz USPZDHBGILRZQR-CQSZACIVSA-N 0 1 417.859 2.831 50 0 HFAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)c[nH]1)N1CCCC1 ZINC000040082760 571156539 /nfs/dbraw/zinc/15/65/39/571156539.db2.gz LDLDCJPIJSHBCF-UHFFFAOYSA-N 0 1 416.503 2.568 50 0 HFAAMN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1 ZINC000009257139 571243759 /nfs/dbraw/zinc/24/37/59/571243759.db2.gz XJRQIPOESAUWQG-UHFFFAOYSA-N 0 1 417.878 2.848 50 0 HFAAMN COc1ccc([C@@H](CNC(=O)c2n[nH]c(=O)c3ccccc32)N2CCCCC2)cc1 ZINC000009477716 571261799 /nfs/dbraw/zinc/26/17/99/571261799.db2.gz SBELJSTXEXPMHF-HXUWFJFHSA-N 0 1 406.486 2.889 50 0 HFAAMN CN(C)CCNC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccccc1Cl ZINC000037427666 571317443 /nfs/dbraw/zinc/31/74/43/571317443.db2.gz DVJFQHPXFDPPFA-ATJXCDBQSA-N 0 1 416.934 2.775 50 0 HFAAMN CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3Cl)cc21 ZINC000005136874 132302985 /nfs/dbraw/zinc/30/29/85/132302985.db2.gz ZJUJHRLXLUBBQW-UHFFFAOYSA-N 0 1 400.909 2.853 50 0 HFAAMN C[C@@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000012743166 132366406 /nfs/dbraw/zinc/36/64/06/132366406.db2.gz JJUCWEIPJXDQGK-PIGZYNQJSA-N 0 1 408.285 2.924 50 0 HFAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000020567162 520561785 /nfs/dbraw/zinc/56/17/85/520561785.db2.gz PPUUHCPSRAJZOU-GXNBUGAJSA-N 0 1 421.950 2.614 50 0 HFAAMN CN(C)[C@@H](CNC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccs1 ZINC000043948658 522018989 /nfs/dbraw/zinc/01/89/89/522018989.db2.gz WQTSGYWJCZZGCG-INIZCTEOSA-N 0 1 408.549 2.712 50 0 HFAAMN COC(=O)[C@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC(F)(F)F ZINC000031811431 523882185 /nfs/dbraw/zinc/88/21/85/523882185.db2.gz IPAVPKRJBGQTJI-ZUZCIYMTSA-N 0 1 412.368 2.527 50 0 HFAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F ZINC000040287920 523893304 /nfs/dbraw/zinc/89/33/04/523893304.db2.gz RWDRNZDLDDQQNZ-PKOBYXMFSA-N 0 1 418.469 2.802 50 0 HFAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000040309346 523893888 /nfs/dbraw/zinc/89/38/88/523893888.db2.gz UGFQWXLMBJOLCZ-HKUYNNGSSA-N 0 1 400.479 2.663 50 0 biogenic HFAAMN COc1ccc([C@@H]2CCCN2CC(=O)N(CCC(N)=O)c2ccc(OC)cc2)cc1 ZINC000032768831 525250045 /nfs/dbraw/zinc/25/00/45/525250045.db2.gz MCWAPWFXVMMBLE-NRFANRHFSA-N 0 1 411.502 2.749 50 0 HFAAMN O=C(CCCn1c(=O)oc2ccccc21)NCC1(N2CCOCC2)CCCCC1 ZINC000032967419 526469930 /nfs/dbraw/zinc/46/99/30/526469930.db2.gz QEXXHODXCGUOJY-UHFFFAOYSA-N 0 1 401.507 2.526 50 0 HFAAMN O=C(CSc1nnnn1C1CCCC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000032762732 527094898 /nfs/dbraw/zinc/09/48/98/527094898.db2.gz CPIWNQHWABJHCD-OAHLLOKOSA-N 0 1 406.581 2.895 50 0 HFAAMN CCNc1cc(C)nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000009620341 535519949 /nfs/dbraw/zinc/51/99/49/535519949.db2.gz BBDHTISSUGTIIA-UHFFFAOYSA-N 0 1 404.312 2.942 50 0 HFAAMN COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1C ZINC000011906638 536672736 /nfs/dbraw/zinc/67/27/36/536672736.db2.gz BKYIDKZNWLJXCH-UHFFFAOYSA-N 0 1 410.517 2.734 50 0 HFAAMN CCOC(=O)C1C(Cn2cnc3ccccc32)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000001422486 557260818 /nfs/dbraw/zinc/26/08/18/557260818.db2.gz OJZQMTWBXHWRFR-HXUWFJFHSA-N 0 1 420.425 2.636 50 0 HFAAMN CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677527 557365338 /nfs/dbraw/zinc/36/53/38/557365338.db2.gz IRRKHJDVQKAZPG-QGZVFWFLSA-N 0 1 406.914 2.859 50 0 HFAAMN COc1ccc(CC(=O)N2CCc3[nH]nc(C(=O)NCc4cccc(C)c4)c3C2)cc1 ZINC000034789975 557469677 /nfs/dbraw/zinc/46/96/77/557469677.db2.gz KYHDNMZROPGMSP-UHFFFAOYSA-N 0 1 418.497 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COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)[nH]n2)cc1S(N)(=O)=O ZINC000021806141 558951935 /nfs/dbraw/zinc/95/19/35/558951935.db2.gz VZBIAAVTFFFLBF-UHFFFAOYSA-N 0 1 400.460 2.602 50 0 HFAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)n1 ZINC000065362892 558973696 /nfs/dbraw/zinc/97/36/96/558973696.db2.gz KJTASSPHAVALGB-UHFFFAOYSA-N 0 1 410.522 2.593 50 0 HFAAMN O=C(NCc1ccccc1C(F)(F)F)c1nc[nH]c1C(=O)NCc1ccccn1 ZINC000033327545 559060325 /nfs/dbraw/zinc/06/03/25/559060325.db2.gz YWNMZLMMZHMYLY-UHFFFAOYSA-N 0 1 403.364 2.684 50 0 HFAAMN COCCC[N@@H+]1CCc2nc(SCC(=O)Nc3cc(C)cc(C)c3)[n-]c(=O)c2C1 ZINC000033331759 559062531 /nfs/dbraw/zinc/06/25/31/559062531.db2.gz JUEQOQJDVVNNQN-UHFFFAOYSA-N 0 1 416.547 2.924 50 0 HFAAMN COCCC[N@H+]1CCc2nc(SCC(=O)Nc3cc(C)cc(C)c3)[n-]c(=O)c2C1 ZINC000033331759 559062532 /nfs/dbraw/zinc/06/25/32/559062532.db2.gz JUEQOQJDVVNNQN-UHFFFAOYSA-N 0 1 416.547 2.924 50 0 HFAAMN CCOc1ccc(N2C(=O)C[C@@H](NCc3ccc(N4CCCC4=O)cc3)C2=O)cc1 ZINC000095482833 559081297 /nfs/dbraw/zinc/08/12/97/559081297.db2.gz IKEDYNSZFNTMOT-HXUWFJFHSA-N 0 1 407.470 2.634 50 0 HFAAMN O=C(c1ccc(F)cc1F)N1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095507083 559083365 /nfs/dbraw/zinc/08/33/65/559083365.db2.gz WOHYIGJAZOUUDL-UHFFFAOYSA-N 0 1 400.429 2.614 50 0 HFAAMN COc1ccc(OC)c(N2C(=O)C[C@H]([C@H]3CCCC=C3N3CCOCC3)C2=O)c1 ZINC000101130282 559143535 /nfs/dbraw/zinc/14/35/35/559143535.db2.gz MEEMMDQFRGTIMD-IAGOWNOFSA-N 0 1 400.475 2.600 50 0 HFAAMN CCN(CC)C(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O ZINC000004928626 559208437 /nfs/dbraw/zinc/20/84/37/559208437.db2.gz JFOVKOLHQGOEJZ-UHFFFAOYSA-N 0 1 417.462 2.950 50 0 HFAAMN COc1cc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)cc(OC)c1OC ZINC000005128710 559249043 /nfs/dbraw/zinc/24/90/43/559249043.db2.gz ITNIOTGCFOWVPK-UHFFFAOYSA-N 0 1 400.460 2.886 50 0 HFAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCCO)cc1OC ZINC000005343473 560568106 /nfs/dbraw/zinc/56/81/06/560568106.db2.gz VODJVQIQDNSKRY-NRFANRHFSA-N 0 1 409.442 2.727 50 0 HFAAMN CC(C)C[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000005346513 560570477 /nfs/dbraw/zinc/57/04/77/560570477.db2.gz RMWIRSJSFLILQE-YUWJWYLASA-N 0 1 403.910 2.905 50 0 HFAAMN Cc1c(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(=O)oc2cc(O)cc([O-])c12 ZINC000005347830 560570783 /nfs/dbraw/zinc/57/07/83/560570783.db2.gz LSBIINDGOIAPDB-UHFFFAOYSA-N 0 1 422.481 2.836 50 0 HFAAMN COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(O)=C23)c(OC)c1 ZINC000101359075 560792487 /nfs/dbraw/zinc/79/24/87/560792487.db2.gz YETXCUBKAZIXHB-NVXWUHKLSA-N 0 1 404.781 2.789 50 0 HFAAMN O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1C1=NN[C@H](c2c[nH]c3ccccc32)C1 ZINC000101763210 560800796 /nfs/dbraw/zinc/80/07/96/560800796.db2.gz IGVBCHZKDXKIIP-INIZCTEOSA-N 0 1 421.844 2.805 50 0 HFAAMN CCOc1ccccc1N1CCN(C(=O)c2c[nH]c3cc(OC)ccc3c2=O)CC1 ZINC000046762926 560869577 /nfs/dbraw/zinc/86/95/77/560869577.db2.gz SFDFSZFIAWYPHP-UHFFFAOYSA-N 0 1 407.470 2.898 50 0 HFAAMN O[C@H](COC[C@H]1COc2ccccc2O1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000022298848 560890963 /nfs/dbraw/zinc/89/09/63/560890963.db2.gz PQHNHESRVGOBCN-PMACEKPBSA-N 0 1 418.921 2.680 50 0 HFAAMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000048312667 568438990 /nfs/dbraw/zinc/43/89/90/568438990.db2.gz SRPGCCMANVQDTC-UHFFFAOYSA-N 0 1 415.406 2.780 50 0 HFAAMN CCOC(=O)C1C(CN2CCc3ccccc3C2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000049547204 568451460 /nfs/dbraw/zinc/45/14/60/568451460.db2.gz IYCDARYABIARPI-JOCHJYFZSA-N 0 1 421.497 2.925 50 0 HFAAMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 ZINC000005210986 568455379 /nfs/dbraw/zinc/45/53/79/568455379.db2.gz BDLYQRVPWURVET-LBPRGKRZSA-N 0 1 417.516 2.547 50 0 HFAAMN O=C(c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c1=O)N1CCOCC1 ZINC000214976326 568459095 /nfs/dbraw/zinc/45/90/95/568459095.db2.gz JGOOGJIKUUCMIQ-UHFFFAOYSA-N 0 1 421.297 2.947 50 0 HFAAMN COC(=O)C[C@H](c1ccc(OC)cc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604403878 568492166 /nfs/dbraw/zinc/49/21/66/568492166.db2.gz BJUXYJGODRGQTO-GOSISDBHSA-N 0 1 411.458 2.532 50 0 biogenic HFAAMN COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccc(C)c(C)c1)N1CCCC1 ZINC000022680270 568497350 /nfs/dbraw/zinc/49/73/50/568497350.db2.gz GARAGBDDGQEKAZ-OAQYLSRUSA-N 0 1 409.530 2.995 50 0 HFAAMN Cc1ccc2nc(N3CCC[C@H](C(=O)N4CCN(c5ccccn5)CC4)C3)[nH]c2c1 ZINC000033071957 568511126 /nfs/dbraw/zinc/51/11/26/568511126.db2.gz CTNQKAHANOWKDO-SFHVURJKSA-N 0 1 404.518 2.832 50 0 HFAAMN CN1CCN([C@H](CNS(=O)(=O)Cc2ccc(Cl)cc2)c2ccsc2)CC1 ZINC000020953662 568653708 /nfs/dbraw/zinc/65/37/08/568653708.db2.gz FQXHOLBZCBYYJF-GOSISDBHSA-N 0 1 413.996 2.810 50 0 HFAAMN O=C(CN[C@]1(CO)CCCc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000225648830 568660066 /nfs/dbraw/zinc/66/00/66/568660066.db2.gz DLCXMHNXOTUKBT-BWKNWUBXSA-N 0 1 422.525 2.935 50 0 HFAAMN COc1ccccc1CN(C)C(=O)CN1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000095995471 568678523 /nfs/dbraw/zinc/67/85/23/568678523.db2.gz MQXJSIPYOYMMMI-SJORKVTESA-N 0 1 405.539 2.889 50 0 HFAAMN CCN(CC)c1ncc2c(n1)CC[C@@H](C(=O)NCCN1CCc3ccccc3C1)C2 ZINC000096310535 568724485 /nfs/dbraw/zinc/72/44/85/568724485.db2.gz TWEFLZOALQTOIT-LJQANCHMSA-N 0 1 407.562 2.602 50 0 HFAAMN CN(C)[C@@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1cn(C)c2ccccc12 ZINC000021698405 568741173 /nfs/dbraw/zinc/74/11/73/568741173.db2.gz GZRCBLVBEFVTPU-FQEVSTJZSA-N 0 1 412.921 2.867 50 0 HFAAMN CN1CCN([C@@H](CNC(=O)c2ccc(Br)o2)c2ccc(F)cc2)CC1 ZINC000022579382 568770406 /nfs/dbraw/zinc/77/04/06/568770406.db2.gz CWHRWFMWDOFCAH-HNNXBMFYSA-N 0 1 410.287 2.900 50 0 HFAAMN CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1 ZINC000022582748 568770814 /nfs/dbraw/zinc/77/08/14/568770814.db2.gz HJMSNBALNOBOPJ-QFIPXVFZSA-N 0 1 408.546 2.601 50 0 HFAAMN CCOc1ccc([C@H]2NC(=O)NC(CN3CCc4ccccc4C3)=C2C(=O)OC)cc1 ZINC000057415336 568833473 /nfs/dbraw/zinc/83/34/73/568833473.db2.gz SMVPKMUKKMTDGA-JOCHJYFZSA-N 0 1 421.497 2.925 50 0 HFAAMN CCN(Cc1ccccc1)CC1=NC(=O)N[C@H](c2cccc(OC)c2)C1C(=O)OC ZINC000057414554 568833486 /nfs/dbraw/zinc/83/34/86/568833486.db2.gz ORDHDACPYQIEMT-OAQYLSRUSA-N 0 1 409.486 2.998 50 0 HFAAMN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000052804106 568879319 /nfs/dbraw/zinc/87/93/19/568879319.db2.gz SUIXVCYZXCAEKA-PMUMKWKESA-N 0 1 407.561 2.798 50 0 HFAAMN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)NCCCN1CCC[C@H](O)C1 ZINC000670438231 568883454 /nfs/dbraw/zinc/88/34/54/568883454.db2.gz WLHUUPFRESKHAL-AWEZNQCLSA-N 0 1 402.969 2.988 50 0 HFAAMN COc1ccccc1CNC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012754036 568942112 /nfs/dbraw/zinc/94/21/12/568942112.db2.gz PDTPOJGFEWVHBX-INIZCTEOSA-N 0 1 411.502 2.756 50 0 HFAAMN O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@H](c1cccnc1)N1CCOCC1 ZINC000670462253 568952563 /nfs/dbraw/zinc/95/25/63/568952563.db2.gz TVFSBPBZWWWELQ-FQEVSTJZSA-N 0 1 413.909 2.734 50 0 HFAAMN C[C@@H](C(=O)NCCc1nc(-c2cccnc2)n[nH]1)N1c2cccc3cccc(c23)C1=O ZINC000670467077 568972978 /nfs/dbraw/zinc/97/29/78/568972978.db2.gz HXAIICDXWJAXLB-AWEZNQCLSA-N 0 1 412.453 2.728 50 0 HFAAMN C[C@@H](C(=O)NCCc1n[nH]c(-c2cccnc2)n1)N1c2cccc3cccc(c23)C1=O ZINC000670467077 568972979 /nfs/dbraw/zinc/97/29/79/568972979.db2.gz HXAIICDXWJAXLB-AWEZNQCLSA-N 0 1 412.453 2.728 50 0 HFAAMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008391363 568998364 /nfs/dbraw/zinc/99/83/64/568998364.db2.gz PVUPIHGWJSLIJT-LJQANCHMSA-N 0 1 417.531 2.631 50 0 HFAAMN COc1cccc(CN2CCN(Cc3cccc(-n4cccn4)c3)C[C@H]2CCO)c1 ZINC000104512382 569008954 /nfs/dbraw/zinc/00/89/54/569008954.db2.gz PTEUXMGFGQKMQY-HSZRJFAPSA-N 0 1 406.530 2.950 50 0 HFAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](O)C3)ccc2Cl)cc1 ZINC000006142008 569014302 /nfs/dbraw/zinc/01/43/02/569014302.db2.gz IUJBAMXGVXYVJI-HNNXBMFYSA-N 0 1 424.906 2.746 50 0 HFAAMN Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@@]32c3ccccc3NC2=O)c1C ZINC000015959039 569024735 /nfs/dbraw/zinc/02/47/35/569024735.db2.gz QDGZLXJZNQRODW-XHOYROJHSA-N 0 1 403.482 2.884 50 0 biogenic HFAAMN Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000016032503 569027973 /nfs/dbraw/zinc/02/79/73/569027973.db2.gz SGNVRPAVEXMAJM-PBQROFAYSA-N 0 1 415.493 2.730 50 0 biogenic HFAAMN Cc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)c(C)c1 ZINC000006309320 569038636 /nfs/dbraw/zinc/03/86/36/569038636.db2.gz LOYQCIYPKHQVME-UHFFFAOYSA-N 0 1 413.459 2.545 50 0 HFAAMN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000090607288 569041970 /nfs/dbraw/zinc/04/19/70/569041970.db2.gz NZCAULADTAPZSB-KRWDZBQOSA-N 0 1 405.857 2.772 50 0 HFAAMN O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc2c(c1)OCCO2 ZINC000090607759 569042059 /nfs/dbraw/zinc/04/20/59/569042059.db2.gz ZZJHAGYRCQPSQL-UHFFFAOYSA-N 0 1 403.391 2.980 50 0 HFAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000035851824 569063016 /nfs/dbraw/zinc/06/30/16/569063016.db2.gz BUPCYOAOQQHOCU-MTXNFPGFSA-N 0 1 401.466 2.680 50 0 HFAAMN COCCNC(=O)[C@H]1Cc2ccccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035869945 569063976 /nfs/dbraw/zinc/06/39/76/569063976.db2.gz CLCKCIAJLHHRPT-RBBKRZOGSA-N 0 1 413.949 2.966 50 0 HFAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000035991276 569074615 /nfs/dbraw/zinc/07/46/15/569074615.db2.gz LRHCSXTYFJLKBE-OAQYLSRUSA-N 0 1 414.550 2.571 50 0 HFAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CCNC(=O)c2ccco2)CC1 ZINC000006651603 569082395 /nfs/dbraw/zinc/08/23/95/569082395.db2.gz WGTWKNWWOCQQMA-UHFFFAOYSA-N 0 1 404.898 2.834 50 0 HFAAMN CCCCN1c2ncccc2O[C@@](C)(C(=O)N2CCN(C3CCCCC3)CC2)C1=O ZINC000064759717 569091003 /nfs/dbraw/zinc/09/10/03/569091003.db2.gz VQLBZVOLSZHBLT-QHCPKHFHSA-N 0 1 414.550 2.843 50 0 HFAAMN Cc1ccc(C)c(NC(=O)N2CCN(c3cc(C)nc(N4CCOCC4)n3)CC2)c1 ZINC000064800400 569097400 /nfs/dbraw/zinc/09/74/00/569097400.db2.gz XFOISJPNYITAOC-UHFFFAOYSA-N 0 1 410.522 2.593 50 0 HFAAMN Cn1c2c(C(=O)NC3CCCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064836072 569104487 /nfs/dbraw/zinc/10/44/87/569104487.db2.gz YJXYQULUTURXKJ-UHFFFAOYSA-N 0 1 419.529 2.654 50 0 HFAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2CCO)ccc1O ZINC000006753191 569111832 /nfs/dbraw/zinc/11/18/32/569111832.db2.gz SJDXBJOOCNFZIG-OAQYLSRUSA-N 0 1 409.442 2.733 50 0 HFAAMN CCN1CCN(c2ncc(-c3cc(=O)[nH]c(Nc4ccc(C)cc4)n3)c(C)n2)CC1 ZINC000036235707 569115222 /nfs/dbraw/zinc/11/52/22/569115222.db2.gz ZCOGXMMTLFKPKY-UHFFFAOYSA-N 0 1 405.506 2.729 50 0 HFAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2cccn2C)CC1 ZINC000036341919 569142191 /nfs/dbraw/zinc/14/21/91/569142191.db2.gz FWLBEKHQVJGDJY-OAQYLSRUSA-N 0 1 413.953 2.994 50 0 HFAAMN CC(C)c1nnc(NC(=O)[C@@H]2CCCN(c3nc(Cl)nc4[nH]cnc43)C2)s1 ZINC000036360650 569151862 /nfs/dbraw/zinc/15/18/62/569151862.db2.gz WBVOODILCFNGJU-SECBINFHSA-N 0 1 406.903 2.836 50 0 HFAAMN COc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 ZINC000006919240 569181643 /nfs/dbraw/zinc/18/16/43/569181643.db2.gz RDDPQQVKANMOFK-UHFFFAOYSA-N 0 1 407.455 2.848 50 0 HFAAMN COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC(F)(F)F ZINC000036575696 569200996 /nfs/dbraw/zinc/20/09/96/569200996.db2.gz IPAVPKRJBGQTJI-BMIGLBTASA-N 0 1 412.368 2.527 50 0 HFAAMN COC(=O)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(F)c1F)C(C)C ZINC000036597386 569201499 /nfs/dbraw/zinc/20/14/99/569201499.db2.gz BHWRUQCCRZMJQY-WBVHZDCISA-N 0 1 410.396 2.682 50 0 HFAAMN CC(C)CN1CCN(C(=O)c2cc3c(=O)n(CC(C)C)c4ccccc4n3n2)CC1 ZINC000065292387 569218157 /nfs/dbraw/zinc/21/81/57/569218157.db2.gz DZIUHVOHGBUDSF-UHFFFAOYSA-N 0 1 409.534 2.719 50 0 HFAAMN O=C([N-]S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000065593984 569236912 /nfs/dbraw/zinc/23/69/12/569236912.db2.gz QIEYOOYOCWEZKT-UHFFFAOYSA-N 0 1 409.511 2.632 50 0 HFAAMN CC[C@H]1CN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CCN1C[C@@H](C)O ZINC000089949210 569269769 /nfs/dbraw/zinc/26/97/69/569269769.db2.gz HDSOXDPYPAULHB-AEFFLSMTSA-N 0 1 418.538 2.521 50 0 HFAAMN COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC[N@@H+](Cc1ccco1)C(C)C)c2=O ZINC000017113367 569274873 /nfs/dbraw/zinc/27/48/73/569274873.db2.gz NJVRUKYINIUSLQ-UHFFFAOYSA-N 0 1 401.488 2.975 50 0 HFAAMN COc1ccc(COC[C@H](O)CN2CCN(C)C[C@H]2c2ccccc2)cc1OC ZINC000253370805 569364696 /nfs/dbraw/zinc/36/46/96/569364696.db2.gz WOAXSUWVDASJRO-RTWAWAEBSA-N 0 1 400.519 2.570 50 0 HFAAMN Cc1cc(=O)c(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000079057441 569426051 /nfs/dbraw/zinc/42/60/51/569426051.db2.gz VPCSRBPMWHSJJO-WFASDCNBSA-N 0 1 420.435 2.915 50 0 HFAAMN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCN(c2ncccn2)CC1 ZINC000008709260 571104493 /nfs/dbraw/zinc/10/44/93/571104493.db2.gz WLUYEJMMZJIOOH-QGZVFWFLSA-N 0 1 422.558 2.615 50 0 HFAAMN Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCc5nc[nH]c5C4)c12)OC(C)(C)CC3 ZINC000008791926 571120106 /nfs/dbraw/zinc/12/01/06/571120106.db2.gz UTPZCMLVVJIVCR-UHFFFAOYSA-N 0 1 423.469 2.892 50 0 biogenic HFAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccccc2)N1[C@@H]1CCS(=O)(=O)C1 ZINC000008845782 571125493 /nfs/dbraw/zinc/12/54/93/571125493.db2.gz XVEQFVFMFIXUMX-JLTOFOAXSA-N 0 1 409.467 2.515 50 0 HFAAMN Cc1ccc(CN2CCCN(C(=O)CSc3nnnn3C3CCCC3)CC2)cc1 ZINC000040087011 571157614 /nfs/dbraw/zinc/15/76/14/571157614.db2.gz WCIBIHYPFVAZFN-UHFFFAOYSA-N 0 1 414.579 2.923 50 0 HFAAMN Cc1cccc(N2CCN(CCCCNS(=O)(=O)N(C)C3CCCCC3)CC2)c1 ZINC000040091337 571161183 /nfs/dbraw/zinc/16/11/83/571161183.db2.gz FDEAVMUZIITSKO-UHFFFAOYSA-N 0 1 422.639 2.996 50 0 HFAAMN CC(C)[C@H](CNC(=O)c1ccccc1SC[C@@H]1CCCO1)N1CCN(C)CC1 ZINC000040092522 571161510 /nfs/dbraw/zinc/16/15/10/571161510.db2.gz SUCZNMDOZTWQSD-ICSRJNTNSA-N 0 1 405.608 2.960 50 0 HFAAMN CCOc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccco3)N3CCCC3)CC2=O)cc1 ZINC000040159798 571205667 /nfs/dbraw/zinc/20/56/67/571205667.db2.gz LBHSBLIAEALIIB-FXAWDEMLSA-N 0 1 411.502 2.985 50 0 HFAAMN Cc1cccc(NC(=O)CNC(=O)CSc2nc(-c3cccs3)n[nH]2)c1C ZINC000009255380 571243496 /nfs/dbraw/zinc/24/34/96/571243496.db2.gz OQNNYQUSHDUEDD-UHFFFAOYSA-N 0 1 401.517 2.997 50 0 HFAAMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)[nH]1 ZINC000069870949 571247313 /nfs/dbraw/zinc/24/73/13/571247313.db2.gz BMQUDWDGRGFDCE-UHFFFAOYSA-N 0 1 411.483 2.747 50 0 HFAAMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000009714869 571281650 /nfs/dbraw/zinc/28/16/50/571281650.db2.gz MCJPKYKGWYBQGU-UHFFFAOYSA-N 0 1 424.544 2.979 50 0 HFAAMN COc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004703432 132283849 /nfs/dbraw/zinc/28/38/49/132283849.db2.gz RWSXGSYTZYLNNX-UHFFFAOYSA-N 0 1 415.559 2.671 50 0 HFAAMN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000008791965 132333518 /nfs/dbraw/zinc/33/35/18/132333518.db2.gz RQITUIITBXXSDS-CABCVRRESA-N 0 1 403.490 2.798 50 0 biogenic HFAAMN COc1ccccc1NC(=O)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697984 132350022 /nfs/dbraw/zinc/35/00/22/132350022.db2.gz UQRQPLMITZOAHS-UHFFFAOYSA-N 0 1 405.462 2.978 50 0 HFAAMN COc1cc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000011853272 132351352 /nfs/dbraw/zinc/35/13/52/132351352.db2.gz LZOHIGIJXUNGMV-UHFFFAOYSA-N 0 1 413.518 2.655 50 0 HFAAMN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012752551 132366625 /nfs/dbraw/zinc/36/66/25/132366625.db2.gz OCASNVWFXOHWCZ-UTKZUKDTSA-N 0 1 409.534 2.617 50 0 HFAAMN CCC(CC)[C@@H](CNC(=O)CCc1nc(-c2ccccc2)no1)N1CCOCC1 ZINC000032908474 521602810 /nfs/dbraw/zinc/60/28/10/521602810.db2.gz RRJXDCNYJQLUPO-LJQANCHMSA-N 0 1 400.523 2.922 50 0 HFAAMN COC(=O)CCNC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC(F)(F)F ZINC000031811195 523094858 /nfs/dbraw/zinc/09/48/58/523094858.db2.gz FXGDHLZQDVSYEC-MRXNPFEDSA-N 0 1 412.368 2.529 50 0 HFAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC ZINC000040312721 523893675 /nfs/dbraw/zinc/89/36/75/523893675.db2.gz IYSAUJKPQMUFPV-QFBILLFUSA-N 0 1 400.479 2.663 50 0 biogenic HFAAMN Cc1cccc(CN2c3cc(C(=O)NCCN4CCN(C)CC4)ccc3OC[C@H]2C)c1 ZINC000040455640 524410800 /nfs/dbraw/zinc/41/08/00/524410800.db2.gz JHZZMUCERAKZJI-HXUWFJFHSA-N 0 1 422.573 2.760 50 0 HFAAMN CSCC[C@@H]1NC(=S)N(Cc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)C1=O ZINC000032831174 525558525 /nfs/dbraw/zinc/55/85/25/525558525.db2.gz PVHDTNKTRRJBMQ-MPGHIAIKSA-N 0 1 407.605 2.634 50 0 HFAAMN Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)n[nH]1 ZINC000020537471 526249838 /nfs/dbraw/zinc/24/98/38/526249838.db2.gz KBDXJIPKGQHJAS-OAQYLSRUSA-N 0 1 423.561 2.695 50 0 HFAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000032761036 526313221 /nfs/dbraw/zinc/31/32/21/526313221.db2.gz NOOIERZDYRJOOC-UHFFFAOYSA-N 0 1 402.336 2.997 50 0 HFAAMN S=C(NCCCN1CCOCC1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000032903081 526384188 /nfs/dbraw/zinc/38/41/88/526384188.db2.gz AUWCSPBIOPWNCY-NRFANRHFSA-N 0 1 409.559 2.839 50 0 HFAAMN O=C(NCCc1cnc[nH]1)c1ccc2c(c1)C(=O)N(CCCc1ccccc1)C2=O ZINC000031812287 526396631 /nfs/dbraw/zinc/39/66/31/526396631.db2.gz WQWQWGCLGLGXMR-UHFFFAOYSA-N 0 1 402.454 2.611 50 0 HFAAMN CN1CCN(c2ccc(CNC(=O)c3ccc(NC(=O)c4ccco4)cc3)cn2)CC1 ZINC000023318451 536421220 /nfs/dbraw/zinc/42/12/20/536421220.db2.gz NPUMXHMZOFQZED-UHFFFAOYSA-N 0 1 419.485 2.609 50 0 HFAAMN CN1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cn2)CC1 ZINC000012613418 536423234 /nfs/dbraw/zinc/42/32/34/536423234.db2.gz FAGXFNYTWMGYMV-UHFFFAOYSA-N 0 1 405.296 2.613 50 0 HFAAMN COc1ccc(S(=O)(=O)Nc2ccc(I)cn2)cc1OC ZINC000001441123 557264194 /nfs/dbraw/zinc/26/41/94/557264194.db2.gz XLLSJCSWJILLQG-UHFFFAOYSA-N 0 1 420.228 2.504 50 0 HFAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)n1 ZINC000002136440 557317596 /nfs/dbraw/zinc/31/75/96/557317596.db2.gz UYKWDBOHRKLBOJ-UHFFFAOYSA-N 0 1 421.548 2.753 50 0 HFAAMN Cc1cccc(-c2cc(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1O ZINC000008995510 557818120 /nfs/dbraw/zinc/81/81/20/557818120.db2.gz KKXRBWMLOPPMKD-CQSZACIVSA-N 0 1 415.471 2.513 50 0 HFAAMN COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022794166 557821911 /nfs/dbraw/zinc/82/19/11/557821911.db2.gz NUSHRIQOYOBWIQ-OAQYLSRUSA-N 0 1 417.937 2.832 50 0 HFAAMN CCN1CCN(C[C@@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000022918098 558260991 /nfs/dbraw/zinc/26/09/91/558260991.db2.gz DAFKUBZUCXPZNN-CYBMUJFWSA-N 0 1 422.161 2.589 50 0 HFAAMN O=C(c1ccccc1OC1CCN(Cc2ccccn2)CC1)N1CCC(CO)CC1 ZINC000011874488 558292320 /nfs/dbraw/zinc/29/23/20/558292320.db2.gz HIRWOQMEZLXKTN-UHFFFAOYSA-N 0 1 409.530 2.970 50 0 HFAAMN COc1ccccc1-n1cc(CN2CCC[C@@H](CNC(=O)c3cc(C)on3)C2)cn1 ZINC000011933454 558298227 /nfs/dbraw/zinc/29/82/27/558298227.db2.gz DTTZARNHKHROLI-KRWDZBQOSA-N 0 1 409.490 2.819 50 0 HFAAMN COCCNC(=O)c1ccc(OC)cc1OC1CCN(Cc2cccc(O)c2)CC1 ZINC000011934154 558298678 /nfs/dbraw/zinc/29/86/78/558298678.db2.gz QCIYMDQOCPESOW-UHFFFAOYSA-N 0 1 414.502 2.820 50 0 HFAAMN CC(C)Cc1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)n[nH]1 ZINC000012301294 558370849 /nfs/dbraw/zinc/37/08/49/558370849.db2.gz VWBYQEIERFMASX-SFHVURJKSA-N 0 1 418.563 2.580 50 0 HFAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F ZINC000020715839 558401296 /nfs/dbraw/zinc/40/12/96/558401296.db2.gz PXKGLXDDNDEGSI-RDJZCZTQSA-N 0 1 424.473 2.640 50 0 HFAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F ZINC000020745951 558411020 /nfs/dbraw/zinc/41/10/20/558411020.db2.gz LEQYEYCENSRTNN-RDJZCZTQSA-N 0 1 424.473 2.640 50 0 HFAAMN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4snnc4C)C3)C2)c1OC ZINC000012581557 558432564 /nfs/dbraw/zinc/43/25/64/558432564.db2.gz GAVJICDNADQKTL-NRFANRHFSA-N 0 1 416.547 2.992 50 0 HFAAMN Cc1nn2c(nc(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)c3ccccc32)c1Cl ZINC000024204552 558591923 /nfs/dbraw/zinc/59/19/23/558591923.db2.gz FDGNHQHVRKDROC-YJBOKZPZSA-N 0 1 415.925 2.994 50 0 HFAAMN COc1ccc([C@H](CNC(=O)Cn2c3ccccc3n(C)c2=O)N2CCCCC2)cc1 ZINC000024926280 558620696 /nfs/dbraw/zinc/62/06/96/558620696.db2.gz DPOBEUHFCIVRGY-QFIPXVFZSA-N 0 1 422.529 2.692 50 0 HFAAMN CCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccc(COC)o1)CC2 ZINC000014743746 558668067 /nfs/dbraw/zinc/66/80/67/558668067.db2.gz AWTLUUJTTSWIAM-UHFFFAOYSA-N 0 1 412.490 2.640 50 0 HFAAMN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc(CO)o1)CC2 ZINC000014754735 558671765 /nfs/dbraw/zinc/67/17/65/558671765.db2.gz IAGSNLRHPYLMHL-UHFFFAOYSA-N 0 1 423.513 2.558 50 0 HFAAMN CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 ZINC000014962599 558684504 /nfs/dbraw/zinc/68/45/04/558684504.db2.gz RMEKNBIXAXUILE-UHFFFAOYSA-N 0 1 423.517 2.875 50 0 HFAAMN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NCCN1CCc2ccccc2C1 ZINC000030319152 558728821 /nfs/dbraw/zinc/72/88/21/558728821.db2.gz VWBCTIRMADRZIW-UHFFFAOYSA-N 0 1 409.574 2.884 50 0 HFAAMN COCCN1CCc2nc3sc(SC/C=C/c4ccccc4)nn3c(=O)c2C1 ZINC000015414168 558738756 /nfs/dbraw/zinc/73/87/56/558738756.db2.gz ZKUNNDGORAYBKA-VMPITWQZSA-N 0 1 414.556 2.961 50 0 HFAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000016025172 558768937 /nfs/dbraw/zinc/76/89/37/558768937.db2.gz PPUUHCPSRAJZOU-YYQBIWNASA-N 0 1 421.950 2.614 50 0 HFAAMN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCN(CCCCO)CC1 ZINC000072308789 558770997 /nfs/dbraw/zinc/77/09/97/558770997.db2.gz IDAUQNFVRBJXPU-HXUWFJFHSA-N 0 1 411.546 2.983 50 0 HFAAMN CC1CCC2(CC1)OC[C@@H](C(=O)N1CCCN(C)CC1)N2C(=O)c1ccccc1F ZINC000034921039 558787813 /nfs/dbraw/zinc/78/78/13/558787813.db2.gz ABGGBVFQZCQRCJ-GTPZEUEISA-N 0 1 417.525 2.737 50 0 HFAAMN CCCCCN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Br)c1 ZINC000035421723 558791101 /nfs/dbraw/zinc/79/11/01/558791101.db2.gz CGLRRRDVIDWLBQ-UHFFFAOYSA-N 0 1 410.356 2.903 50 0 HFAAMN COc1ccc(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc1C ZINC000019227462 558852816 /nfs/dbraw/zinc/85/28/16/558852816.db2.gz AGAAGNAKTOPIEP-UHFFFAOYSA-N 0 1 423.517 2.793 50 0 HFAAMN O=C(Cn1cccn1)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055282246 558878435 /nfs/dbraw/zinc/87/84/35/558878435.db2.gz MGROXOQHEJWFCD-LJQANCHMSA-N 0 1 421.467 2.715 50 0 HFAAMN Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2cc(F)ccc2C)n1 ZINC000072117802 558927708 /nfs/dbraw/zinc/92/77/08/558927708.db2.gz HWFGIFNSOHECTE-UHFFFAOYSA-N 0 1 407.515 2.613 50 0 HFAAMN COc1ccc(-c2ccc(=O)n(CN3CCN(Cc4ccccc4)CC3)n2)cc1OC ZINC000072403486 558964008 /nfs/dbraw/zinc/96/40/08/558964008.db2.gz DFACCTZXTWJEOB-UHFFFAOYSA-N 0 1 420.513 2.703 50 0 HFAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 ZINC000065364789 558976027 /nfs/dbraw/zinc/97/60/27/558976027.db2.gz WCKOXEPZASXJJU-UHFFFAOYSA-N 0 1 416.913 2.629 50 0 HFAAMN CCOC(=O)C1C(COC(=O)c2cc(F)cc(F)c2)=NC(=O)N[C@H]1c1ccccc1 ZINC000011522561 559087430 /nfs/dbraw/zinc/08/74/30/559087430.db2.gz AKPHXJNIGZXXCA-SFHVURJKSA-N 0 1 416.380 2.993 50 0 HFAAMN COc1ccc(N2C(=O)C[C@H](N3CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000096900606 559112632 /nfs/dbraw/zinc/11/26/32/559112632.db2.gz BWNOUZJRXJKPTO-GGAORHGYSA-N 0 1 419.525 2.502 50 0 HFAAMN CCc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1 ZINC000005075817 559241047 /nfs/dbraw/zinc/24/10/47/559241047.db2.gz XGJTWNZYAFIYGB-UHFFFAOYSA-N 0 1 410.517 2.598 50 0 HFAAMN Nc1c(Cl)cc(S(=O)(=O)Nc2cccnc2N2CCOCC2)cc1Cl ZINC000079001511 560540869 /nfs/dbraw/zinc/54/08/69/560540869.db2.gz HUJJLQTUYOQOHS-UHFFFAOYSA-N 0 1 403.291 2.608 50 0 HFAAMN O=C(CCNC(=O)c1ccc2[nH]nnc2c1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000079097239 560541235 /nfs/dbraw/zinc/54/12/35/560541235.db2.gz WWDKFVYBEWPWAY-UHFFFAOYSA-N 0 1 423.864 2.615 50 0 HFAAMN O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCc2ccccc2C1 ZINC000585148689 560741804 /nfs/dbraw/zinc/74/18/04/560741804.db2.gz AVSQBFNMUPAHSS-SFHVURJKSA-N 0 1 404.495 2.720 50 0 HFAAMN O=S(=O)(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000047032999 560879912 /nfs/dbraw/zinc/87/99/12/560879912.db2.gz FAENCYKPNFRFHL-IBGZPJMESA-N 0 1 402.516 2.963 50 0 HFAAMN C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1C[C@H](C)C[C@@H](C)C1 ZINC000108972948 568420663 /nfs/dbraw/zinc/42/06/63/568420663.db2.gz YDABSCSTZGPFIA-MGPQQGTHSA-N 0 1 401.960 2.895 50 0 HFAAMN O[C@H](Cn1cccn1)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000048234764 568432729 /nfs/dbraw/zinc/43/27/29/568432729.db2.gz KKIWQRDQAWSIQR-QFIPXVFZSA-N 0 1 412.484 2.929 50 0 HFAAMN Cc1cc(C)cc(NS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1 ZINC000085808810 568442467 /nfs/dbraw/zinc/44/24/67/568442467.db2.gz RIZMEKCFSMBGER-UHFFFAOYSA-N 0 1 415.475 2.718 50 0 HFAAMN COc1cc(NC(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc(OC)c1 ZINC000022767013 568499189 /nfs/dbraw/zinc/49/91/89/568499189.db2.gz BLHWITXLGUFGOA-LJQANCHMSA-N 0 1 404.536 2.876 50 0 HFAAMN COc1ccc([C@@H]2[C@@H](C(=O)NCCc3cnc[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479283 568632640 /nfs/dbraw/zinc/63/26/40/568632640.db2.gz WNEHNKWMYHWEQZ-LEWJYISDSA-N 0 1 404.470 2.688 50 0 HFAAMN CC(C)Cc1nc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)n[nH]1 ZINC000095479641 568632866 /nfs/dbraw/zinc/63/28/66/568632866.db2.gz AVQCJQYZHXSHHJ-UHFFFAOYSA-N 0 1 411.915 2.839 50 0 HFAAMN CC(C)Cc1n[nH]c(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)n1 ZINC000095479641 568632869 /nfs/dbraw/zinc/63/28/69/568632869.db2.gz AVQCJQYZHXSHHJ-UHFFFAOYSA-N 0 1 411.915 2.839 50 0 HFAAMN CCOC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000020618527 568638323 /nfs/dbraw/zinc/63/83/23/568638323.db2.gz CYUVVXATRIPPQD-UHFFFAOYSA-N 0 1 419.484 2.705 50 0 HFAAMN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000225827354 568678355 /nfs/dbraw/zinc/67/83/55/568678355.db2.gz ZDWAIQFVARNWRI-YADARESESA-N 0 1 421.497 2.507 50 0 HFAAMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(S(N)(=O)=O)cc3F)[nH]c2c1 ZINC000095993672 568678585 /nfs/dbraw/zinc/67/85/85/568678585.db2.gz HRQPNEMQROKNBZ-QGZVFWFLSA-N 0 1 402.451 2.635 50 0 HFAAMN O=C(C1CCN(c2ncnc3[nH]cnc32)CC1)N1CCc2c3ccccc3[nH]c2C1 ZINC000096114431 568694013 /nfs/dbraw/zinc/69/40/13/568694013.db2.gz PPBOTSJJZVIYIV-UHFFFAOYSA-N 0 1 401.474 2.636 50 0 biogenic HFAAMN COc1ccc(-c2cc(C(=O)Nc3ccc4ncn(C)c(=O)c4c3)[nH]n2)cc1OC ZINC000096224220 568706528 /nfs/dbraw/zinc/70/65/28/568706528.db2.gz XLUYGNZJMXBDBF-UHFFFAOYSA-N 0 1 405.414 2.593 50 0 HFAAMN CCOC(=O)C1=C(CN2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708784 568738804 /nfs/dbraw/zinc/73/88/04/568738804.db2.gz LZBGTMPVXFKPEY-QEEYODRMSA-N 0 1 401.507 2.844 50 0 HFAAMN CCOC(=O)C1C(CN2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000018708784 568738807 /nfs/dbraw/zinc/73/88/07/568738807.db2.gz LZBGTMPVXFKPEY-QEEYODRMSA-N 0 1 401.507 2.844 50 0 HFAAMN O=C(CSc1nc(O)cc(=O)n1C1CCCC1)Nc1cccc2nsnc21 ZINC000019080206 568752614 /nfs/dbraw/zinc/75/26/14/568752614.db2.gz YZDOAZFLGCGRET-UHFFFAOYSA-N 0 1 403.489 2.800 50 0 HFAAMN CCc1nc2sc([C@H](c3cccc(OC)c3)N3CC[NH+](CC)CC3)c([O-])n2n1 ZINC000022578121 568770258 /nfs/dbraw/zinc/77/02/58/568770258.db2.gz NWYSWDAQHOYDRP-KRWDZBQOSA-N 0 1 401.536 2.794 50 0 HFAAMN O=S(=O)(Nc1ccccc1-n1cnnn1)c1ccc(OC(F)F)c(Cl)c1 ZINC000055601800 568780394 /nfs/dbraw/zinc/78/03/94/568780394.db2.gz DBPZXQMLPQVGDN-UHFFFAOYSA-N 0 1 401.782 2.718 50 0 HFAAMN CCN(Cc1ccccc1)CC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)NC(=O)N1 ZINC000057414814 568833599 /nfs/dbraw/zinc/83/35/99/568833599.db2.gz IWQKVWMVLSNGKY-NRFANRHFSA-N 0 1 409.486 2.998 50 0 HFAAMN COC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000057414339 568833724 /nfs/dbraw/zinc/83/37/24/568833724.db2.gz NCFVVBRRIMJTTI-JOCHJYFZSA-N 0 1 420.513 2.598 50 0 HFAAMN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000003334310 568882649 /nfs/dbraw/zinc/88/26/49/568882649.db2.gz VDIFNHPYBSDTGL-UHFFFAOYSA-N 0 1 412.471 2.857 50 0 HFAAMN O=C(Cn1c(=O)[nH]n(-c2ccccc2)c1=O)Nc1ccccc1Oc1ccccc1 ZINC000003348600 568885109 /nfs/dbraw/zinc/88/51/09/568885109.db2.gz ZRCZXMCDEMHVTJ-UHFFFAOYSA-N 0 1 402.410 2.758 50 0 HFAAMN O=C(NCCCc1nc2ccc(Cl)cc2[nH]1)[C@@H](c1cccnc1)N1CCOCC1 ZINC000670462254 568952455 /nfs/dbraw/zinc/95/24/55/568952455.db2.gz TVFSBPBZWWWELQ-HXUWFJFHSA-N 0 1 413.909 2.734 50 0 HFAAMN O=S(=O)(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Cl)nc1 ZINC000007988665 568965985 /nfs/dbraw/zinc/96/59/85/568965985.db2.gz VQIJIEHNUPEPCR-UHFFFAOYSA-N 0 1 410.908 2.982 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NC2=NCCS2)c1 ZINC000008185110 568980304 /nfs/dbraw/zinc/98/03/04/568980304.db2.gz NTJFOAVXLZPMGQ-UHFFFAOYSA-N 0 1 405.501 2.637 50 0 HFAAMN Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000012816846 568989932 /nfs/dbraw/zinc/98/99/32/568989932.db2.gz QHCDSGHPFGZTHP-FQEVSTJZSA-N 0 1 421.538 2.854 50 0 HFAAMN CCOC(=O)C1C(COC(=O)[C@@H]2CC=CCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000008388833 568996631 /nfs/dbraw/zinc/99/66/31/568996631.db2.gz VZEOZXJEBXSRDB-BEFAXECRSA-N 0 1 414.458 2.766 50 0 HFAAMN O=C(Nc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000006147668 569014752 /nfs/dbraw/zinc/01/47/52/569014752.db2.gz JVPCQQJCJWDOLL-UHFFFAOYSA-N 0 1 418.478 2.989 50 0 HFAAMN CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000012908341 569021640 /nfs/dbraw/zinc/02/16/40/569021640.db2.gz NZMDGQKRARQZAS-UHFFFAOYSA-N 0 1 405.495 2.841 50 0 HFAAMN O=C(c1n[nH]c2c1CCc1ccccc1-2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000015942599 569024232 /nfs/dbraw/zinc/02/42/32/569024232.db2.gz QTZBAQKHKZFAFU-UHFFFAOYSA-N 0 1 416.481 2.862 50 0 HFAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21 ZINC000015954315 569024546 /nfs/dbraw/zinc/02/45/46/569024546.db2.gz XMHASTDXUCNSKX-UAKAABGRSA-N 0 1 401.466 2.735 50 0 biogenic HFAAMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000015999113 569025480 /nfs/dbraw/zinc/02/54/80/569025480.db2.gz MEEKKTRFOXYBCC-CMCWBKRRSA-N 0 1 419.456 2.671 50 0 HFAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 ZINC000016097351 569028846 /nfs/dbraw/zinc/02/88/46/569028846.db2.gz YKQIUTJTWNOOHN-UHFFFAOYSA-N 0 1 424.486 2.633 50 0 HFAAMN CN1CCN(CCNC(=O)Cc2cnn(-c3ccccc3)c2)[C@@H](c2ccccc2)C1 ZINC000026156285 569035917 /nfs/dbraw/zinc/03/59/17/569035917.db2.gz UIDDPIOPFZAQNE-HSZRJFAPSA-N 0 1 403.530 2.520 50 0 HFAAMN Cc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)c1C ZINC000006309506 569038669 /nfs/dbraw/zinc/03/86/69/569038669.db2.gz RKMDRKPYUUCUNY-UHFFFAOYSA-N 0 1 413.459 2.545 50 0 HFAAMN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(c5cc(C)ccc5NC4=O)[C@H]3C2=O)cc1 ZINC000245242220 569055290 /nfs/dbraw/zinc/05/52/90/569055290.db2.gz KHJADHKTWFJFGG-UECWXEIQSA-N 0 1 401.466 2.735 50 0 HFAAMN COc1ccccc1[C@H](CNC(=O)CCc1nc2ccccc2c(=O)[nH]1)N1CCCC1 ZINC000006607038 569071529 /nfs/dbraw/zinc/07/15/29/569071529.db2.gz VLNDCZKGTKQOQH-FQEVSTJZSA-N 0 1 420.513 2.818 50 0 HFAAMN COCCN1C(=O)c2n[nH]c(-c3cc(C)ccc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000006753217 569111821 /nfs/dbraw/zinc/11/18/21/569111821.db2.gz LNGVKPADXMFTTG-OAQYLSRUSA-N 0 1 409.442 2.997 50 0 HFAAMN CCOC[C@@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C1CC1 ZINC000036313389 569133567 /nfs/dbraw/zinc/13/35/67/569133567.db2.gz CNAJVUSMIWGXLL-KRWDZBQOSA-N 0 1 419.497 2.679 50 0 HFAAMN COc1ccc(Cl)cc1S(=O)(=O)NCCc1n[nH]c(Cc2ccc(C)cc2)n1 ZINC000064969651 569138442 /nfs/dbraw/zinc/13/84/42/569138442.db2.gz BSPPEXUGLJAPJG-UHFFFAOYSA-N 0 1 420.922 2.887 50 0 HFAAMN O=S(=O)(NCCc1n[nH]c(Cc2ccccc2)n1)c1ccccc1Br ZINC000064969908 569138538 /nfs/dbraw/zinc/13/85/38/569138538.db2.gz SPEXOZXZESAWEI-UHFFFAOYSA-N 0 1 421.320 2.679 50 0 HFAAMN O=C(c1cc(C(=O)N2CCOCC2)c2nc3ccccc3n2c1)c1ccccc1O ZINC000006909215 569178767 /nfs/dbraw/zinc/17/87/67/569178767.db2.gz DHECUJXWESDSMT-UHFFFAOYSA-N 0 1 401.422 2.897 50 0 HFAAMN Cc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)C)c(=O)c2c1 ZINC000006920250 569181727 /nfs/dbraw/zinc/18/17/27/569181727.db2.gz MUCRWIIVWTUSGU-UHFFFAOYSA-N 0 1 413.499 2.800 50 0 HFAAMN COC(=O)[C@@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F ZINC000036569559 569200795 /nfs/dbraw/zinc/20/07/95/569200795.db2.gz PXKGLXDDNDEGSI-WBVHZDCISA-N 0 1 424.473 2.640 50 0 HFAAMN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(F)c1F ZINC000036569647 569200837 /nfs/dbraw/zinc/20/08/37/569200837.db2.gz PDDDBRXNJCXHCA-QAPCUYQASA-N 0 1 406.433 2.933 50 0 HFAAMN CCCNc1cc(N2CCC[C@H](CCC(=O)N3CCN(C(C)C)CC3)C2)ncn1 ZINC000065244836 569204665 /nfs/dbraw/zinc/20/46/65/569204665.db2.gz GKLLXYVUZSVSAX-LJQANCHMSA-N 0 1 402.587 2.848 50 0 HFAAMN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1 ZINC000036638505 569214669 /nfs/dbraw/zinc/21/46/69/569214669.db2.gz CAQXBVPFDMWKQB-FQEVSTJZSA-N 0 1 400.454 2.775 50 0 HFAAMN CC[C@H](C)N1CCN(C(=O)c2cc3c(=O)n(CC(C)C)c4ccccc4n3n2)CC1 ZINC000065292402 569218163 /nfs/dbraw/zinc/21/81/63/569218163.db2.gz QPBXWQYDJIBVGU-KRWDZBQOSA-N 0 1 409.534 2.862 50 0 HFAAMN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1nnc[nH]1 ZINC000007111852 569221555 /nfs/dbraw/zinc/22/15/55/569221555.db2.gz XWMUUIZHEUXSOE-UHFFFAOYSA-N 0 1 406.471 2.851 50 0 HFAAMN Cc1cccc(NC(=O)N2CCC(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)CC2)c1 ZINC000170602676 569243772 /nfs/dbraw/zinc/24/37/72/569243772.db2.gz DVXDRHZJOJMVSH-GOSISDBHSA-N 0 1 416.566 2.543 50 0 HFAAMN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000170617022 569247781 /nfs/dbraw/zinc/24/77/81/569247781.db2.gz SFUCJBKNWUHLAS-UHFFFAOYSA-N 0 1 417.466 2.520 50 0 HFAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)[C@@H]1CCCO1)CC2 ZINC000013696719 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O=S(=O)(NCCc1n[nH]c(Cc2ccccc2)n1)c1ccc(Br)cc1 ZINC000064969907 569138613 /nfs/dbraw/zinc/13/86/13/569138613.db2.gz GHTATPGBVCYBAJ-UHFFFAOYSA-N 0 1 421.320 2.679 50 0 HFAAMN Cc1nc(N2CCC(NC(=O)c3[nH]nc4c3CCCC4)CC2)cc(C(F)(F)F)n1 ZINC000169772448 569171770 /nfs/dbraw/zinc/17/17/70/569171770.db2.gz NSIFHSYWMUGCOX-UHFFFAOYSA-N 0 1 408.428 2.805 50 0 HFAAMN CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2c1=O ZINC000006920272 569181782 /nfs/dbraw/zinc/18/17/82/569181782.db2.gz OJDSOASLISCJAK-HUUCEWRRSA-N 0 1 419.547 2.725 50 0 HFAAMN C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1C[C@H](C)C[C@H](C)C1 ZINC000036437867 569182451 /nfs/dbraw/zinc/18/24/51/569182451.db2.gz YDABSCSTZGPFIA-HZSPNIEDSA-N 0 1 401.960 2.895 50 0 HFAAMN CC(C)n1c(-c2cccc(C(=O)NCCN3CCN(C)CC3)c2)nc2cccnc21 ZINC000065172744 569189939 /nfs/dbraw/zinc/18/99/39/569189939.db2.gz NFNODVCVBPEVRS-UHFFFAOYSA-N 0 1 406.534 2.656 50 0 HFAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000036584764 569202967 /nfs/dbraw/zinc/20/29/67/569202967.db2.gz LJWIGFTUPIHQJP-KHDYIWLOSA-N 0 1 418.469 2.802 50 0 HFAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F)C(=O)OC ZINC000036589897 569204364 /nfs/dbraw/zinc/20/43/64/569204364.db2.gz UBWJAGVBILKOBT-PBQZTSCYSA-N 0 1 406.433 2.933 50 0 HFAAMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000007141022 569225516 /nfs/dbraw/zinc/22/55/16/569225516.db2.gz GWDDWALVWGWSQD-UHFFFAOYSA-N 0 1 410.517 2.671 50 0 HFAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000007149387 569226511 /nfs/dbraw/zinc/22/65/11/569226511.db2.gz GPEUKFQPWBQPLW-INIZCTEOSA-N 0 1 420.560 2.522 50 0 HFAAMN Cc1nc([C@H](NC(=O)c2nn(CC(C)C)c(=O)c3ccccc32)c2ccccc2)n[nH]1 ZINC000065565335 569234334 /nfs/dbraw/zinc/23/43/34/569234334.db2.gz QIJGHUGXFKJHRV-LJQANCHMSA-N 0 1 416.485 2.998 50 0 HFAAMN Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000007363362 569235482 /nfs/dbraw/zinc/23/54/82/569235482.db2.gz AVHNSDRIWGMATA-UHFFFAOYSA-N 0 1 405.379 2.764 50 0 HFAAMN CC(C)(C)OC(=O)c1cccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccc(F)c(F)c2)c1 ZINC000170595721 569241682 /nfs/dbraw/zinc/24/16/82/569241682.db2.gz GYMFCZSFNISMRM-MRXNPFEDSA-N 0 1 415.400 2.953 50 0 HFAAMN O=C(CNc1nc(Cl)nc2[nH]cnc21)Nc1nnc(CCc2ccccc2)s1 ZINC000071283630 569251970 /nfs/dbraw/zinc/25/19/70/569251970.db2.gz AZFRJMZGWLDEDQ-UHFFFAOYSA-N 0 1 414.882 2.694 50 0 HFAAMN FC(F)(F)CN1CC[C@@H](CNCc2ncc(I)s2)C1 ZINC000241371382 569281801 /nfs/dbraw/zinc/28/18/01/569281801.db2.gz MNCZPFZHNVAAET-QMMMGPOBSA-N 0 1 405.227 2.722 50 0 HFAAMN COc1cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(Br)c1O ZINC000002126271 569286204 /nfs/dbraw/zinc/28/62/04/569286204.db2.gz CFDBOLQTHZTVLZ-UONOGXRCSA-N 0 1 405.292 2.944 50 0 biogenic HFAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1F)C(=O)OC ZINC000043735315 569358220 /nfs/dbraw/zinc/35/82/20/569358220.db2.gz ODNIKYXMQGDJFM-SDDDUWNISA-N 0 1 406.433 2.933 50 0 HFAAMN COC(=O)c1ccc2c(c1)nc(SCc1c[nH]nn1)n(CCc1ccccc1)c2=O 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CC(=O)N1CCc2[nH]c3ccc(C(=O)NCC[N@H+]4CCc5ccccc5C4)cc3c2C1 ZINC000101447984 571317821 /nfs/dbraw/zinc/31/78/21/571317821.db2.gz MZUNZBFJGOOCAN-UHFFFAOYSA-N 0 1 416.525 2.861 50 0 HFAAMN CC(=O)N1CCc2[nH]c3ccc(C(=O)NCCN4CCc5ccccc5C4)cc3c2C1 ZINC000101447984 571317822 /nfs/dbraw/zinc/31/78/22/571317822.db2.gz MZUNZBFJGOOCAN-UHFFFAOYSA-N 0 1 416.525 2.861 50 0 HFAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 ZINC000004270489 132274212 /nfs/dbraw/zinc/27/42/12/132274212.db2.gz TYFBXRZIZUHSSM-UHFFFAOYSA-N 0 1 402.472 2.730 50 0 HFAAMN C[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000012743160 132366388 /nfs/dbraw/zinc/36/63/88/132366388.db2.gz JJUCWEIPJXDQGK-DIFFPNOSSA-N 0 1 408.285 2.924 50 0 HFAAMN NC(=O)NCc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000032781186 526937566 /nfs/dbraw/zinc/93/75/66/526937566.db2.gz OXYYDXJQYDXSMV-UHFFFAOYSA-N 0 1 400.910 2.903 50 0 HFAAMN CCN1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000023025053 535756126 /nfs/dbraw/zinc/75/61/26/535756126.db2.gz DTWKEMLOEXWYBG-GOSISDBHSA-N 0 1 422.529 2.829 50 0 HFAAMN CN1CCN(c2ccc(NC(=O)CCN3C(=O)CSc4ccccc43)cc2)CC1 ZINC000007985094 536422745 /nfs/dbraw/zinc/42/27/45/536422745.db2.gz IIZPWXPWHCSDTA-UHFFFAOYSA-N 0 1 410.543 2.906 50 0 HFAAMN COc1ccc(N(C[C@H](O)CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000000787396 557080703 /nfs/dbraw/zinc/08/07/03/557080703.db2.gz GWYAIDQEXHNEOY-LJQANCHMSA-N 0 1 404.532 2.737 50 0 HFAAMN O=C([O-])[C@@H]1[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@H]2CC[C@@H]1O2 ZINC000004179718 557525336 /nfs/dbraw/zinc/52/53/36/557525336.db2.gz XAHTVKKXHADIMC-MLNNCEHLSA-N 0 1 420.509 2.798 50 0 HFAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)n1 ZINC000005557821 557661939 /nfs/dbraw/zinc/66/19/39/557661939.db2.gz BYTKBRKZHWMDNJ-UHFFFAOYSA-N 0 1 409.682 2.895 50 0 HFAAMN COc1cc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nn[nH]n2)ccc1O ZINC000005670170 557667678 /nfs/dbraw/zinc/66/76/78/557667678.db2.gz YDQFNABJYNXWLR-ZDUSSCGKSA-N 0 1 407.352 2.898 50 0 HFAAMN COc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022794181 557822048 /nfs/dbraw/zinc/82/20/48/557822048.db2.gz DDDZZKPMMRTJKF-OAQYLSRUSA-N 0 1 401.938 2.996 50 0 HFAAMN COc1cc(CN2CCC3(C[C@@H]3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1O ZINC000011840628 558286697 /nfs/dbraw/zinc/28/66/97/558286697.db2.gz UDAQKEQMUYGIBP-SOLBZPMBSA-N 0 1 418.534 2.647 50 0 HFAAMN CCOc1cc(CN2CCc3nnc([C@@H](NC(=O)CC)C(C)C)n3CC2)ccc1O ZINC000012131453 558332828 /nfs/dbraw/zinc/33/28/28/558332828.db2.gz LYXSJNIWOLJDMQ-NRFANRHFSA-N 0 1 415.538 2.664 50 0 HFAAMN O=C1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CCN1 ZINC000012315368 558378875 /nfs/dbraw/zinc/37/88/75/558378875.db2.gz APAVGOIMLMEGNQ-UHFFFAOYSA-N 0 1 404.470 2.649 50 0 HFAAMN COC(=O)[C@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F ZINC000020716125 558401392 /nfs/dbraw/zinc/40/13/92/558401392.db2.gz ISJPDBLNCOUTHU-WMZOPIPTSA-N 0 1 406.433 2.933 50 0 HFAAMN COc1ccc(CCNC(=O)C2CCN(c3nc(Cl)nc4[nH]cnc43)CC2)cc1 ZINC000013571121 558542167 /nfs/dbraw/zinc/54/21/67/558542167.db2.gz KCTLEXRMNRJVIR-UHFFFAOYSA-N 0 1 414.897 2.590 50 0 HFAAMN Cc1ccccc1CN1CCN([C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 ZINC000023332358 558549513 /nfs/dbraw/zinc/54/95/13/558549513.db2.gz GIWJNKLBCYXZIA-OAQYLSRUSA-N 0 1 422.573 2.873 50 0 HFAAMN O=C(CCNC(=O)c1ccccc1Cl)NCC1(N2CCOCC2)CCCCC1 ZINC000023736991 558572400 /nfs/dbraw/zinc/57/24/00/558572400.db2.gz SITQJRCEMFHSFE-UHFFFAOYSA-N 0 1 407.942 2.611 50 0 HFAAMN COc1ccc([C@H](CNC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)N2CCCC2)cc1 ZINC000014023476 558614541 /nfs/dbraw/zinc/61/45/41/558614541.db2.gz PHQMNWJWWBSWLP-GMAHTHKFSA-N 0 1 423.513 2.762 50 0 HFAAMN COc1ccc([C@@H](CNC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)N2CCCC2)cc1 ZINC000014023473 558614590 /nfs/dbraw/zinc/61/45/90/558614590.db2.gz PHQMNWJWWBSWLP-GGAORHGYSA-N 0 1 423.513 2.762 50 0 HFAAMN COc1ccc([C@@H](CNC(=O)Cn2c3ccccc3n(C)c2=O)N2CCCCC2)cc1 ZINC000024926276 558620805 /nfs/dbraw/zinc/62/08/05/558620805.db2.gz DPOBEUHFCIVRGY-JOCHJYFZSA-N 0 1 422.529 2.692 50 0 HFAAMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3nc(C4CC4)n[nH]3)nc2c1 ZINC000025078879 558630574 /nfs/dbraw/zinc/63/05/74/558630574.db2.gz FXWOBBHRZVCHKG-UHFFFAOYSA-N 0 1 406.537 2.881 50 0 HFAAMN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3n[nH]c(C4CC4)n3)nc2c1 ZINC000025078879 558630577 /nfs/dbraw/zinc/63/05/77/558630577.db2.gz FXWOBBHRZVCHKG-UHFFFAOYSA-N 0 1 406.537 2.881 50 0 HFAAMN O=C([C@H](NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1)N1CCCCC1 ZINC000025689291 558647791 /nfs/dbraw/zinc/64/77/91/558647791.db2.gz WDGGRQNKVVBUHX-LJQANCHMSA-N 0 1 412.534 2.585 50 0 HFAAMN COC(=O)c1ccc2c(c1)nc(CN1CCCN(Cc3ccc(F)cc3)CC1)[nH]c2=O ZINC000025934743 558652650 /nfs/dbraw/zinc/65/26/50/558652650.db2.gz QOLZJCDPKMIQJP-UHFFFAOYSA-N 0 1 424.476 2.557 50 0 HFAAMN Cc1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@H](OCc3ccccc3)C2)n[nH]1 ZINC000014542929 558660838 /nfs/dbraw/zinc/66/08/38/558660838.db2.gz XKTZODXDEDUACR-HXUWFJFHSA-N 0 1 410.518 2.921 50 0 HFAAMN O=C(c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c[nH]1)N1CCCC1 ZINC000026528324 558662317 /nfs/dbraw/zinc/66/23/17/558662317.db2.gz BHRWQGATRMFEKC-UHFFFAOYSA-N 0 1 403.382 2.950 50 0 HFAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000026567759 558663152 /nfs/dbraw/zinc/66/31/52/558663152.db2.gz QWOHYUXEPYXJSF-QGZVFWFLSA-N 0 1 401.536 2.547 50 0 HFAAMN CNS(=O)(=O)c1cc(NC(=O)CSc2nc3ccc(OC)cc3[nH]2)ccc1C ZINC000027214815 558671084 /nfs/dbraw/zinc/67/10/84/558671084.db2.gz UYSOKAKCGWBRJS-UHFFFAOYSA-N 0 1 420.516 2.519 50 0 HFAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cc(C)n(C)n1 ZINC000014965633 558685627 /nfs/dbraw/zinc/68/56/27/558685627.db2.gz RSGOEFIYSCUBRZ-UHFFFAOYSA-N 0 1 402.514 2.868 50 0 HFAAMN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccnc(-n4cnnn4)c3)C2)cc1 ZINC000015071709 558713353 /nfs/dbraw/zinc/71/33/53/558713353.db2.gz OYWWYMPTUQFCNH-OAQYLSRUSA-N 0 1 419.533 2.650 50 0 HFAAMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O ZINC000072293461 558735850 /nfs/dbraw/zinc/73/58/50/558735850.db2.gz CBCMFBRSCVFZIH-UHFFFAOYSA-N 0 1 416.908 2.596 50 0 HFAAMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)CCNC(=O)c1cccs1 ZINC000072304587 558757058 /nfs/dbraw/zinc/75/70/58/558757058.db2.gz VBICYBLXDWIBIX-UHFFFAOYSA-N 0 1 416.547 2.657 50 0 HFAAMN CC(C)(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016025037 558768916 /nfs/dbraw/zinc/76/89/16/558768916.db2.gz RPZQGNHZAVXXSV-YDLHNXBPSA-N 0 1 421.472 2.587 50 0 HFAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]21 ZINC000016025205 558769146 /nfs/dbraw/zinc/76/91/46/558769146.db2.gz YOQDNMMJGUOMEP-YYQBIWNASA-N 0 1 421.950 2.612 50 0 HFAAMN Cc1ccc(N2C(=O)C[C@@H](N3CCN([C@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000019889702 558777633 /nfs/dbraw/zinc/77/76/33/558777633.db2.gz QNPPOHQNSDTRLK-XZOQPEGZSA-N 0 1 403.526 2.802 50 0 HFAAMN CCCSc1nnc(NC(=O)c2nc(S(=O)(=O)CC)ncc2Cl)s1 ZINC000016751598 558804928 /nfs/dbraw/zinc/80/49/28/558804928.db2.gz QEVFDSZOZLQQIY-UHFFFAOYSA-N 0 1 407.930 2.530 50 0 HFAAMN CCCSc1nnc(NC(=O)c2nc(S(=O)(=O)CCC)ncc2Cl)s1 ZINC000016753806 558805397 /nfs/dbraw/zinc/80/53/97/558805397.db2.gz HOEVTSCCQZLCPP-UHFFFAOYSA-N 0 1 421.957 2.920 50 0 HFAAMN COc1ccc(-c2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)cc1OC ZINC000054274501 558867209 /nfs/dbraw/zinc/86/72/09/558867209.db2.gz ZKGXUYKWCNSGLR-UHFFFAOYSA-N 0 1 406.486 2.776 50 0 HFAAMN CN(CCNS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000060357476 558869098 /nfs/dbraw/zinc/86/90/98/558869098.db2.gz OCWFZVCMIGZXNO-UHFFFAOYSA-N 0 1 416.366 2.945 50 0 HFAAMN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000058082904 558898090 /nfs/dbraw/zinc/89/80/90/558898090.db2.gz DYRHFZZAVBSYHG-UHFFFAOYSA-N 0 1 404.518 2.566 50 0 HFAAMN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)CNCc1ccccc1 ZINC000058447197 558927802 /nfs/dbraw/zinc/92/78/02/558927802.db2.gz CHOZEKIJSKKNLY-UHFFFAOYSA-N 0 1 403.504 2.663 50 0 HFAAMN CCS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1C(=O)[O-] ZINC000033259919 558928709 /nfs/dbraw/zinc/92/87/09/558928709.db2.gz NWFUGEGJJHJQHA-UHFFFAOYSA-N 0 1 421.494 2.608 50 0 HFAAMN CC(=O)N1c2ccc(S(=O)(=O)N(CCN(C)C)Cc3ccc(C)o3)cc2C[C@H]1C ZINC000059747294 558938810 /nfs/dbraw/zinc/93/88/10/558938810.db2.gz WAUJQOBLYPWZMT-OAHLLOKOSA-N 0 1 419.547 2.638 50 0 HFAAMN CCNS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(C)c3)[nH]n2)ccc1OC ZINC000021806393 558952182 /nfs/dbraw/zinc/95/21/82/558952182.db2.gz YSEGMAONENHSAR-UHFFFAOYSA-N 0 1 414.487 2.944 50 0 HFAAMN Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(N2CCOCC2)n1 ZINC000064799832 558965800 /nfs/dbraw/zinc/96/58/00/558965800.db2.gz IDDHHFONDRVGGT-UHFFFAOYSA-N 0 1 423.561 2.882 50 0 HFAAMN Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)nc(N2CCOCC2)n1 ZINC000064800397 558965966 /nfs/dbraw/zinc/96/59/66/558965966.db2.gz AGPDTASBFCXSKO-UHFFFAOYSA-N 0 1 410.522 2.593 50 0 HFAAMN Cc1ccc(CN(CCC(=O)N2CCNCC2)C(=O)c2ccc(F)c(F)c2)cc1 ZINC000065314934 558970870 /nfs/dbraw/zinc/97/08/70/558970870.db2.gz KNJQTMGDZDEUIA-UHFFFAOYSA-N 0 1 401.457 2.738 50 0 HFAAMN Cc1cc(O)c([C@@H](c2cccnc2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1 ZINC000023086445 558999914 /nfs/dbraw/zinc/99/99/14/558999914.db2.gz XIMXQUODASEDNT-HSZRJFAPSA-N 0 1 404.514 2.642 50 0 HFAAMN COc1ccc(C(=O)N2CCc3ccc(S(=O)(=O)Nc4cccnc4)cc3C2)o1 ZINC000077320258 559001211 /nfs/dbraw/zinc/00/12/11/559001211.db2.gz YSIPPPMAAOSUTP-UHFFFAOYSA-N 0 1 413.455 2.683 50 0 HFAAMN COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)c1cnc(C)nc1 ZINC000095527859 559086236 /nfs/dbraw/zinc/08/62/36/559086236.db2.gz AJEZBMPDDYJDJO-UHFFFAOYSA-N 0 1 400.498 2.925 50 0 HFAAMN O=C(NCCNc1ccc(Nc2ccncc2)nn1)c1cc2ccccc2oc1=O ZINC000011697813 559189803 /nfs/dbraw/zinc/18/98/03/559189803.db2.gz PXVGTNUCEBTXJM-UHFFFAOYSA-N 0 1 402.414 2.564 50 0 HFAAMN CC[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971560 559220611 /nfs/dbraw/zinc/22/06/11/559220611.db2.gz YASRMUUFPVOXRN-LJQANCHMSA-N 0 1 419.591 2.919 50 0 HFAAMN Cc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1 ZINC000005078239 559241982 /nfs/dbraw/zinc/24/19/82/559241982.db2.gz NMDMUMGOHGQOFV-UHFFFAOYSA-N 0 1 409.471 2.644 50 0 HFAAMN COc1ccc(OC)c(S(=O)(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)c1 ZINC000005154097 559254360 /nfs/dbraw/zinc/25/43/60/559254360.db2.gz KANZNKMYSLFWLB-UHFFFAOYSA-N 0 1 402.472 2.730 50 0 HFAAMN NC(=O)c1nc(-c2ccccc2O)nc2c1[nH]c(=O)n2-c1ccc(Cl)c(Cl)c1 ZINC000011758697 559258047 /nfs/dbraw/zinc/25/80/47/559258047.db2.gz CZFIAEQYRUEAKO-UHFFFAOYSA-N 0 1 416.224 2.887 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)CCC(C)=O)c1 ZINC000005602271 560629117 /nfs/dbraw/zinc/62/91/17/560629117.db2.gz HKZZISWGNZLEEJ-UHFFFAOYSA-N 0 1 406.460 2.812 50 0 HFAAMN CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000206733545 560740319 /nfs/dbraw/zinc/74/03/19/560740319.db2.gz BRVHLCWUAKAJBJ-UHFFFAOYSA-N 0 1 415.441 2.962 50 0 HFAAMN COC(=O)c1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000101078988 560771259 /nfs/dbraw/zinc/77/12/59/560771259.db2.gz IFVAWFGIHIQXBD-LBPRGKRZSA-N 0 1 400.456 2.670 50 0 HFAAMN COc1ccccc1N1C(=O)c2ccccc2/C(=C/NCCCN2CCOCC2)C1=O ZINC000101189130 560789050 /nfs/dbraw/zinc/78/90/50/560789050.db2.gz CUZMVIKXSVLWDV-JZJYNLBNSA-N 0 1 421.497 2.535 50 0 HFAAMN O=c1occ(CN2CCN(c3ccc(Cl)cc3)CC2)c([O-])c1C[NH+]1CCCC1 ZINC000101409607 560794359 /nfs/dbraw/zinc/79/43/59/560794359.db2.gz OUVXZKSCMNOGAT-UHFFFAOYSA-N 0 1 403.910 2.917 50 0 HFAAMN COc1ccc2[nH]c3c([nH]c(=S)n(CC(=O)NCc4cccc(OC)c4)c3=O)c2c1 ZINC000101497659 560796433 /nfs/dbraw/zinc/79/64/33/560796433.db2.gz ZNQNBYIMZPXISK-UHFFFAOYSA-N 0 1 424.482 2.874 50 0 HFAAMN Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1cccnc1 ZINC000102288424 560809646 /nfs/dbraw/zinc/80/96/46/560809646.db2.gz OZGCFEZHQXYZAK-HDICACEKSA-N 0 1 413.499 2.866 50 0 HFAAMN COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1 ZINC000085690551 560853186 /nfs/dbraw/zinc/85/31/86/560853186.db2.gz QNHTYJQDFYWZDR-SFHVURJKSA-N 0 1 419.485 2.649 50 0 HFAAMN CC[C@@H]1CN(C(=O)Nc2ccc(OC)c(N3CCCCC3=O)c2)CCN1C[C@H](C)O ZINC000107510247 560896478 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CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1)C(=O)OC ZINC000036589940 569204275 /nfs/dbraw/zinc/20/42/75/569204275.db2.gz PLYWYHNJVHERHO-IRWQIABSSA-N 0 1 400.479 2.663 50 0 HFAAMN O=C(CCN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007341389 569234601 /nfs/dbraw/zinc/23/46/01/569234601.db2.gz ZGVGSCKXMYNVGZ-UHFFFAOYSA-N 0 1 408.502 2.670 50 0 HFAAMN c1c(NCCCO[C@@H]2CCOC2)nc(NCCCO[C@H]2CCOC2)nc1C1CC1 ZINC000170613123 569246679 /nfs/dbraw/zinc/24/66/79/569246679.db2.gz XMKUAWVQXIKNBN-MSOLQXFVSA-N 0 1 406.527 2.569 50 0 HFAAMN Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 ZINC000017012260 569271603 /nfs/dbraw/zinc/27/16/03/569271603.db2.gz RTWNEBQXOKKGMJ-UHFFFAOYSA-N 0 1 404.312 2.576 50 0 HFAAMN CCOC(=O)c1sc(NC(=O)N2C[C@@H](C)N(C)C[C@H]2C)c(C(=O)OCC)c1C ZINC000252476981 569288416 /nfs/dbraw/zinc/28/84/16/569288416.db2.gz FYYXKKLOKNZOFL-VXGBXAGGSA-N 0 1 411.524 2.966 50 0 HFAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2F)cc1 ZINC000007671040 569300076 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421.866 2.755 50 0 HFAAMN CC[C@H]1CN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCN1C[C@H](C)O ZINC000108089284 560897939 /nfs/dbraw/zinc/89/79/39/560897939.db2.gz OTJSLRTUMMSBFO-LPHOPBHVSA-N 0 1 405.539 2.880 50 0 HFAAMN CCOc1cc([C@@H]2C(C(=O)OC)C(C)=Nc3ncnn32)c(Br)cc1O ZINC000044973334 560898317 /nfs/dbraw/zinc/89/83/17/560898317.db2.gz RLOVQLICRJSQCD-CQSZACIVSA-N 0 1 409.240 2.607 50 0 HFAAMN CCN1CCN([C@H](c2ccc(OC)c(OC)c2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000022697313 568415512 /nfs/dbraw/zinc/41/55/12/568415512.db2.gz CTWQXBRFDJNZIJ-JOCHJYFZSA-N 0 1 415.534 2.626 50 0 HFAAMN CN(C)[C@@H](CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cccs1 ZINC000048301234 568437479 /nfs/dbraw/zinc/43/74/79/568437479.db2.gz LRNWGSZWMSVUKE-INIZCTEOSA-N 0 1 421.954 2.762 50 0 HFAAMN COc1ccc(CCS(=O)(=O)NC[C@H](c2cn(C)c3ccccc23)N(C)C)cc1 ZINC000021696196 568466989 /nfs/dbraw/zinc/46/69/89/568466989.db2.gz HJJJDIOXOZDQMD-JOCHJYFZSA-N 0 1 415.559 2.952 50 0 HFAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1)C(=O)OC 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/nfs/dbraw/zinc/73/43/20/568734320.db2.gz MQFOJENRTNRWHV-SFHVURJKSA-N 0 1 419.485 2.649 50 0 HFAAMN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C ZINC000000942846 568753756 /nfs/dbraw/zinc/75/37/56/568753756.db2.gz LAKSWHLQJSTLDS-UHFFFAOYSA-N 0 1 412.471 2.912 50 0 HFAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Br)o1 ZINC000001019088 568762618 /nfs/dbraw/zinc/76/26/18/568762618.db2.gz CIKJNLYXGYBAPI-UHFFFAOYSA-N 0 1 423.248 2.885 50 0 HFAAMN O=C1C[C@H](N2CCN(CCc3cccs3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000096900166 568764955 /nfs/dbraw/zinc/76/49/55/568764955.db2.gz LAIRAXBAPWXSTE-SFHVURJKSA-N 0 1 403.935 2.894 50 0 HFAAMN CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CC[NH+](CC)CC3)c([O-])n2n1 ZINC000022578115 568770282 /nfs/dbraw/zinc/77/02/82/568770282.db2.gz NWYSWDAQHOYDRP-QGZVFWFLSA-N 0 1 401.536 2.794 50 0 HFAAMN Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C)c2C)N2CCN(C)CC2)cc1 ZINC000022582771 568770659 /nfs/dbraw/zinc/77/06/59/568770659.db2.gz YWPBADOSUZNRFE-QFIPXVFZSA-N 0 1 408.546 2.655 50 0 HFAAMN O=C(CCCn1c(=O)c2ccccc2[nH]c1=S)N1CCN(c2ccccn2)CC1 ZINC000002972107 568831945 /nfs/dbraw/zinc/83/19/45/568831945.db2.gz LHVZXDKNUAHFKP-UHFFFAOYSA-N 0 1 409.515 2.583 50 0 HFAAMN Cc1ccc(CN2CCC(N3C[C@@H](COc4ccc(F)cc4)OCC3=O)CC2)o1 ZINC000299763851 568873543 /nfs/dbraw/zinc/87/35/43/568873543.db2.gz FPPKRPBKAXRWFZ-NRFANRHFSA-N 0 1 402.466 2.998 50 0 HFAAMN O=C1CO[C@H](COc2ccc(F)cc2)CN1C1CCN(Cc2cccc(O)c2)CC1 ZINC000299773876 568874592 /nfs/dbraw/zinc/87/45/92/568874592.db2.gz GOCDHNOOSHBOFT-QFIPXVFZSA-N 0 1 414.477 2.802 50 0 HFAAMN Cc1cccnc1CN1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299785729 568875365 /nfs/dbraw/zinc/87/53/65/568875365.db2.gz LLMNXQXIAOFDMD-NRFANRHFSA-N 0 1 413.493 2.800 50 0 HFAAMN Cc1oc(-c2ccccc2C)nc1CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000004177862 568948945 /nfs/dbraw/zinc/94/89/45/568948945.db2.gz LKLQITQKAUDLKQ-UHFFFAOYSA-N 0 1 424.545 2.894 50 0 HFAAMN CCc1nn2c(nc(CSc3nc(-c4cccc(OC)c4)n[nH]3)cc2=O)s1 ZINC000015731844 568982132 /nfs/dbraw/zinc/98/21/32/568982132.db2.gz LPBQSZKRMQAFKZ-UHFFFAOYSA-N 0 1 400.489 2.799 50 0 HFAAMN CCOC(=O)C1C(COC(=O)[C@H]2CC=CCC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000008388826 568996398 /nfs/dbraw/zinc/99/63/98/568996398.db2.gz VZEOZXJEBXSRDB-HNAYVOBHSA-N 0 1 414.458 2.766 50 0 HFAAMN COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000015772883 568998869 /nfs/dbraw/zinc/99/88/69/568998869.db2.gz SJVTXJAHWREYAU-UHFFFAOYSA-N 0 1 424.545 2.758 50 0 HFAAMN Cc1cc(N(C)C)nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000015824961 569011341 /nfs/dbraw/zinc/01/13/41/569011341.db2.gz SZESQVIONBOJDZ-UHFFFAOYSA-N 0 1 404.312 2.576 50 0 HFAAMN CC(C)CN1CCO[C@H](CNC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868146 569012315 /nfs/dbraw/zinc/01/23/15/569012315.db2.gz WCWKQZNOTWERFQ-MRXNPFEDSA-N 0 1 402.366 2.898 50 0 HFAAMN COCCNC(=O)NC(=O)CN[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000012910060 569021406 /nfs/dbraw/zinc/02/14/06/569021406.db2.gz YWYYRAQPWLAIJE-HXUWFJFHSA-N 0 1 401.532 2.778 50 0 HFAAMN Cc1nn2c(nc(N3CCCN(CC(=O)NC(C)C)CC3)c3ccccc32)c1Cl ZINC000012929838 569024418 /nfs/dbraw/zinc/02/44/18/569024418.db2.gz TYRPQKSQCGLYHU-UHFFFAOYSA-N 0 1 414.941 2.881 50 0 HFAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375274 569033964 /nfs/dbraw/zinc/03/39/64/569033964.db2.gz NJGAUVRUGGJWAC-YAQJADAMSA-N 0 1 421.472 2.587 50 0 HFAAMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C)Cc1ccccc1C ZINC000089274506 569053882 /nfs/dbraw/zinc/05/38/82/569053882.db2.gz VRTMWXRLHZTDFH-UHFFFAOYSA-N 0 1 412.533 2.586 50 0 HFAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000245242203 569055305 /nfs/dbraw/zinc/05/53/05/569055305.db2.gz JGNGGJRBZOPUSD-AZXNSQLWSA-N 0 1 419.456 2.819 50 0 HFAAMN CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000064800476 569097499 /nfs/dbraw/zinc/09/74/99/569097499.db2.gz YOUVTMPZVHILKW-UHFFFAOYSA-N 0 1 411.531 2.881 50 0 HFAAMN CCOC[C@H](O)CN(CCOC)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036249774 569119235 /nfs/dbraw/zinc/11/92/35/569119235.db2.gz NPBWTLNOUDVJPN-LJQANCHMSA-N 0 1 403.523 2.788 50 0 HFAAMN COc1ccc(-c2nnc(CCNS(=O)(=O)c3cc(Cl)ccc3OC)[nH]2)cc1 ZINC000064969509 569138045 /nfs/dbraw/zinc/13/80/45/569138045.db2.gz SFMGPJADPKTDGT-UHFFFAOYSA-N 0 1 422.894 2.663 50 0 HFAAMN COc1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3cccc(C)c3)n2)cc1Cl ZINC000064969861 569138527 /nfs/dbraw/zinc/13/85/27/569138527.db2.gz AJVDGSBDMRGJNE-UHFFFAOYSA-N 0 1 420.922 2.887 50 0 HFAAMN COC(=O)[C@@H](CC(C)C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F ZINC000036585262 569203147 /nfs/dbraw/zinc/20/31/47/569203147.db2.gz ISJPDBLNCOUTHU-SJLPKXTDSA-N 0 1 406.433 2.933 50 0 HFAAMN CCN1CCN(c2nc3cc(C(=O)OC)ccc3c(=O)n2-c2cccc(C)c2)CC1 ZINC000065306630 569220673 /nfs/dbraw/zinc/22/06/73/569220673.db2.gz JEAIPBYRQWYKTA-UHFFFAOYSA-N 0 1 406.486 2.623 50 0 HFAAMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000170607721 569244673 /nfs/dbraw/zinc/24/46/73/569244673.db2.gz NCAPUCKCACBPSR-FQEVSTJZSA-N 0 1 403.486 2.757 50 0 HFAAMN c1c(NCCCO[C@@H]2CCOC2)nc(NCCCO[C@@H]2CCOC2)nc1C1CC1 ZINC000170613121 569246664 /nfs/dbraw/zinc/24/66/64/569246664.db2.gz XMKUAWVQXIKNBN-QZTJIDSGSA-N 0 1 406.527 2.569 50 0 HFAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)c1 ZINC000013696927 569256991 /nfs/dbraw/zinc/25/69/91/569256991.db2.gz JBQCAGPAYRKOGD-UHFFFAOYSA-N 0 1 402.472 2.804 50 0 HFAAMN C[C@@H](c1ccccc1)n1c(=O)[nH]c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000017029293 569272095 /nfs/dbraw/zinc/27/20/95/569272095.db2.gz NUSXXRAVVHGQJG-RNODOKPDSA-N 0 1 402.454 2.568 50 0 biogenic HFAAMN Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(N4CCCCC4)n3)CC2)cc1 ZINC000017050796 569272511 /nfs/dbraw/zinc/27/25/11/569272511.db2.gz LDKXXBIGXCDFBP-UHFFFAOYSA-N 0 1 415.563 2.595 50 0 HFAAMN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000252549968 569294190 /nfs/dbraw/zinc/29/41/90/569294190.db2.gz RYAGRORJRNCXMB-KEYYUXOJSA-N 0 1 406.556 2.592 50 0 HFAAMN 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COc1c2c(cc3c1[C@H](CC(=O)C=C([O-])c1c(C)nn(C)c1C)[N@@H+](C)CC3)OCO2 ZINC000100769167 559265147 /nfs/dbraw/zinc/26/51/47/559265147.db2.gz LBGBFARVOLIROP-INIZCTEOSA-N 0 1 413.474 2.535 50 0 biogenic HFAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000101341847 560793120 /nfs/dbraw/zinc/79/31/20/560793120.db2.gz VGALMWHJMZRZSC-FLFXDLLNSA-N 0 1 419.456 2.874 50 0 HFAAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2[O-])C[C@H]1c1ccccc1 ZINC000101456650 560795493 /nfs/dbraw/zinc/79/54/93/560795493.db2.gz GHUYKIXFFPOEJV-KRWDZBQOSA-N 0 1 424.844 2.582 50 0 HFAAMN CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(-c3cccc(Cl)c3)c2O)C[C@H]1c1ccccc1 ZINC000101456650 560795495 /nfs/dbraw/zinc/79/54/95/560795495.db2.gz GHUYKIXFFPOEJV-KRWDZBQOSA-N 0 1 424.844 2.582 50 0 HFAAMN CC(=O)N1N=C(c2c(=O)[nH]c(=S)n(C)c2[O-])C[C@H]1c1ccc(Br)cc1 ZINC000101764474 560801017 /nfs/dbraw/zinc/80/10/17/560801017.db2.gz DHPZIBHWYOSINM-LBPRGKRZSA-N 0 1 423.292 2.609 50 0 HFAAMN Cn1c(=O)c2ccc(C(=O)NCc3cccc(Br)c3)cc2[nH]c1=S ZINC000103063564 560837155 /nfs/dbraw/zinc/83/71/55/560837155.db2.gz PBWQZJUXOKNSOK-UHFFFAOYSA-N 0 1 404.289 2.915 50 0 HFAAMN Cc1ccc(O)c(S(=O)(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000048232050 568433456 /nfs/dbraw/zinc/43/34/56/568433456.db2.gz OEIPZNTVLQURHJ-UHFFFAOYSA-N 0 1 405.501 2.948 50 0 HFAAMN CCOC(=O)CCN(C[C@H]1CCCN1CC)S(=O)(=O)c1ccc(C)c(F)c1 ZINC000048309660 568436512 /nfs/dbraw/zinc/43/65/12/568436512.db2.gz PGSGVRHIAULANQ-MRXNPFEDSA-N 0 1 400.516 2.562 50 0 HFAAMN CN1CCN(CCNC(=O)Nc2ccc(N3CCCC3)nc2)[C@H](c2ccccc2)C1 ZINC000048300936 568437488 /nfs/dbraw/zinc/43/74/88/568437488.db2.gz ASTLOVBXOWWULM-NRFANRHFSA-N 0 1 408.550 2.792 50 0 HFAAMN CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1 ZINC000000667793 568460492 /nfs/dbraw/zinc/46/04/92/568460492.db2.gz VAKXMMLKSJDBMY-UHFFFAOYSA-N 0 1 400.460 2.965 50 0 HFAAMN COc1cccc(NC(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)c1OC ZINC000022679454 568497286 /nfs/dbraw/zinc/49/72/86/568497286.db2.gz QFWDNOBSHPMUON-QGZVFWFLSA-N 0 1 404.536 2.876 50 0 HFAAMN O[C@H](CO[C@@H]1CCCc2ccccc21)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022787163 568499645 /nfs/dbraw/zinc/49/96/45/568499645.db2.gz ZQHGFOMIFQUOEE-JTHBVZDNSA-N 0 1 424.541 2.988 50 0 HFAAMN COc1cccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)N2CCCC2)c1 ZINC000032988491 568510646 /nfs/dbraw/zinc/51/06/46/568510646.db2.gz CFXNOVRIPVQSSH-CTNGQTDRSA-N 0 1 413.518 2.996 50 0 HFAAMN CCN1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)CC1 ZINC000020441630 568607552 /nfs/dbraw/zinc/60/75/52/568607552.db2.gz LRCMOUHDYKRQLI-FQEVSTJZSA-N 0 1 407.967 2.997 50 0 HFAAMN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CSc3c[nH]nn3)cc2)cc1 ZINC000095471372 568626681 /nfs/dbraw/zinc/62/66/81/568626681.db2.gz LFHPINMMQNKVPM-UHFFFAOYSA-N 0 1 403.489 2.645 50 0 HFAAMN COc1ccc(CCc2nc(NC(=O)c3nn(C)c4ccccc43)n[nH]2)cc1OC ZINC000095480127 568633069 /nfs/dbraw/zinc/63/30/69/568633069.db2.gz OWDPPVJRHRZEPH-UHFFFAOYSA-N 0 1 406.446 2.746 50 0 HFAAMN COc1ccc(CCc2n[nH]c(NC(=O)c3nn(C)c4ccccc43)n2)cc1OC ZINC000095480127 568633073 /nfs/dbraw/zinc/63/30/73/568633073.db2.gz OWDPPVJRHRZEPH-UHFFFAOYSA-N 0 1 406.446 2.746 50 0 HFAAMN O=C1Nc2ccccc2[C@@]12N[C@H](Cc1ccccc1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020611415 568637055 /nfs/dbraw/zinc/63/70/55/568637055.db2.gz QBDRECKUDUUQCL-HSGJQSDISA-N 0 1 415.493 2.592 50 0 biogenic HFAAMN Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2cc(C)ccc2C)c(C)n1C ZINC000021154298 568673072 /nfs/dbraw/zinc/67/30/72/568673072.db2.gz UHDHWUFFGMBCJF-UHFFFAOYSA-N 0 1 405.520 2.532 50 0 HFAAMN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096324694 568734210 /nfs/dbraw/zinc/73/42/10/568734210.db2.gz MQBKPGOOUSRBKP-UHFFFAOYSA-N 0 1 407.449 2.779 50 0 HFAAMN CC(C)(C)NC(=O)NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000005855872 568825879 /nfs/dbraw/zinc/82/58/79/568825879.db2.gz COLBPDQYMGCWHM-UHFFFAOYSA-N 0 1 412.313 2.951 50 0 HFAAMN O=C(CCCn1c(=O)c2ccccc2[nH]c1=S)NC[C@H]1COc2ccccc2O1 ZINC000002972111 568831969 /nfs/dbraw/zinc/83/19/69/568831969.db2.gz GVQWWHVNQNMPJB-AWEZNQCLSA-N 0 1 411.483 2.795 50 0 HFAAMN COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000012525390 568842694 /nfs/dbraw/zinc/84/26/94/568842694.db2.gz XOONTDYFDIVFOK-UHFFFAOYSA-N 0 1 403.442 2.602 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCn2ccnc2)c1 ZINC000012534980 568845033 /nfs/dbraw/zinc/84/50/33/568845033.db2.gz UGRYSSNDNGZNKN-UHFFFAOYSA-N 0 1 414.487 2.513 50 0 HFAAMN COc1ccccc1N(C[C@@H](O)CNCc1ccco1)S(=O)(=O)c1ccccc1 ZINC000003246098 568867068 /nfs/dbraw/zinc/86/70/68/568867068.db2.gz NYSODBKWNJLRBS-KRWDZBQOSA-N 0 1 416.499 2.634 50 0 HFAAMN Cc1cccc(CN2CCC(N3C[C@H](COc4ccc(F)cc4)OCC3=O)CC2)n1 ZINC000299770830 568874107 /nfs/dbraw/zinc/87/41/07/568874107.db2.gz MVSBLFWJSOFHFA-JOCHJYFZSA-N 0 1 413.493 2.800 50 0 HFAAMN COc1ccc(OC)c(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)c1 ZINC000015669314 568960971 /nfs/dbraw/zinc/96/09/71/568960971.db2.gz NENZYLUIAGTWQC-UHFFFAOYSA-N 0 1 401.444 2.563 50 0 HFAAMN CN(C)S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000007988365 568965775 /nfs/dbraw/zinc/96/57/75/568965775.db2.gz LRIQPEJXNKRBAN-HXUWFJFHSA-N 0 1 401.532 2.885 50 0 HFAAMN C[C@H]1Cc2cc(S(=O)(=O)NCCN3CCCCCC3)ccc2N1C(=O)C1CCC1 ZINC000015680929 568967404 /nfs/dbraw/zinc/96/74/04/568967404.db2.gz ZMFCDYIODRASRF-KRWDZBQOSA-N 0 1 419.591 2.919 50 0 HFAAMN CCOC(=O)C1C(COC(=O)c2ccoc2C)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000008429555 569002773 /nfs/dbraw/zinc/00/27/73/569002773.db2.gz IQGYBUQQQRKETF-GOSISDBHSA-N 0 1 414.414 2.625 50 0 HFAAMN COc1ccc2c(c1)C[C@@H](C(=O)NCCCN1CCN(c3ccccc3)CC1)CO2 ZINC000015786272 569007358 /nfs/dbraw/zinc/00/73/58/569007358.db2.gz URLUEHPKQGIUSO-HXUWFJFHSA-N 0 1 409.530 2.575 50 0 HFAAMN COc1ccc(C(=O)Nc2c(N)nc(SCc3ccccc3)[nH]c2=O)cc1OC ZINC000006309008 569038687 /nfs/dbraw/zinc/03/86/87/569038687.db2.gz XWAVGWGCKHXOOB-UHFFFAOYSA-N 0 1 412.471 2.914 50 0 HFAAMN CN1CCN(CCNC(=O)Nc2ccc(N3CCCC3)nc2)[C@@H](c2ccccc2)C1 ZINC000229750356 569040579 /nfs/dbraw/zinc/04/05/79/569040579.db2.gz ASTLOVBXOWWULM-OAQYLSRUSA-N 0 1 408.550 2.792 50 0 HFAAMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)cc1 ZINC000013009645 569050034 /nfs/dbraw/zinc/05/00/34/569050034.db2.gz BCYZTOLKQYKRGM-UHFFFAOYSA-N 0 1 411.487 2.817 50 0 HFAAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000016534102 569058408 /nfs/dbraw/zinc/05/84/08/569058408.db2.gz LTDNKRJMZSSDPB-GRSHGNNSSA-N 0 1 417.400 2.990 50 0 HFAAMN Cc1ccc2nc(SCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)[nH]c2c1 ZINC000006553882 569065483 /nfs/dbraw/zinc/06/54/83/569065483.db2.gz RDPWKUSGMUFRCZ-UHFFFAOYSA-N 0 1 404.517 2.852 50 0 HFAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991441 569074628 /nfs/dbraw/zinc/07/46/28/569074628.db2.gz JRNHWSYQEOKSSD-OAQYLSRUSA-N 0 1 414.550 2.536 50 0 HFAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1C ZINC000035991323 569074630 /nfs/dbraw/zinc/07/46/30/569074630.db2.gz KCHMZKONZOKVPM-OAQYLSRUSA-N 0 1 414.550 2.536 50 0 HFAAMN CCOC(=O)C1=C(CN2CCN(C)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991277 569074652 /nfs/dbraw/zinc/07/46/52/569074652.db2.gz LRHCSXTYFJLKBE-NRFANRHFSA-N 0 1 414.550 2.571 50 0 HFAAMN COCCN(Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036095696 569089808 /nfs/dbraw/zinc/08/98/08/569089808.db2.gz DLHXQSMJOAKFOS-SFHVURJKSA-N 0 1 405.491 2.601 50 0 HFAAMN O=C(Nc1ccccc1F)c1nnc(CNS(=O)(=O)c2ccccc2F)s1 ZINC000064991782 569149219 /nfs/dbraw/zinc/14/92/19/569149219.db2.gz KQLKNBDJSNFSBP-UHFFFAOYSA-N 0 1 410.427 2.547 50 0 HFAAMN CC(C)CN1CCN(C(=O)CSc2ncccc2-c2noc(C3CC3)n2)CC1 ZINC000065211397 569196421 /nfs/dbraw/zinc/19/64/21/569196421.db2.gz FDXIFTQTUUMEAM-UHFFFAOYSA-N 0 1 401.536 2.901 50 0 HFAAMN CCC(=O)NCc1cnn(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)c1 ZINC000065213260 569197430 /nfs/dbraw/zinc/19/74/30/569197430.db2.gz YQTQKQZZSHRZKE-UHFFFAOYSA-N 0 1 409.534 2.599 50 0 HFAAMN COc1ccc(-c2nnc(N3CCC(C(=O)N4CCN(C(C)C)CC4)CC3)o2)cc1 ZINC000065229747 569200687 /nfs/dbraw/zinc/20/06/87/569200687.db2.gz YLOORMITOZUJIJ-UHFFFAOYSA-N 0 1 413.522 2.514 50 0 HFAAMN CCn1nc(C)c(S(=O)(=O)N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1C ZINC000036615019 569206862 /nfs/dbraw/zinc/20/68/62/569206862.db2.gz WUUJGNNKFHZHDH-UHFFFAOYSA-N 0 1 406.596 2.651 50 0 HFAAMN CCCN1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)ncn3)CC2)CC1 ZINC000065274123 569214817 /nfs/dbraw/zinc/21/48/17/569214817.db2.gz DYSLVMDHMSJDBQ-UHFFFAOYSA-N 0 1 400.571 2.602 50 0 HFAAMN O=C(CC[C@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000252572219 569294390 /nfs/dbraw/zinc/29/43/90/569294390.db2.gz YZLNFSLYOALDEP-QGZVFWFLSA-N 0 1 404.430 2.515 50 0 HFAAMN C[C@H](C(=O)NCCN(C)C)n1ccs/c1=N\C(=O)c1cccc(C(F)(F)F)c1 ZINC000037427778 569298802 /nfs/dbraw/zinc/29/88/02/569298802.db2.gz XKCLIZKGUJJDNP-CFXPEFFESA-N 0 1 414.453 2.548 50 0 HFAAMN COc1cccc(CN(C)C(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)c1 ZINC000012756609 571044725 /nfs/dbraw/zinc/04/47/25/571044725.db2.gz PMFMSKAXWPVVJI-UHFFFAOYSA-N 0 1 411.502 2.710 50 0 HFAAMN CC(=O)c1ccc(N2CCN(C(=O)c3[nH]nnc3Nc3ccccc3F)CC2)cc1 ZINC000067284452 571063621 /nfs/dbraw/zinc/06/36/21/571063621.db2.gz JJAMEEZRSMNEAC-UHFFFAOYSA-N 0 1 408.437 2.852 50 0 HFAAMN CCOC(=O)C1C(CN2CCSCC2)=NC(=O)N[C@@H]1c1ccc(SC)cc1 ZINC000067286950 571065128 /nfs/dbraw/zinc/06/51/28/571065128.db2.gz NFAOBQMOJFJXOD-QGZVFWFLSA-N 0 1 407.561 2.628 50 0 HFAAMN O=C1NC(=O)[C@]2(Cc3cccc(F)c3N3CCSC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008694627 571102614 /nfs/dbraw/zinc/10/26/14/571102614.db2.gz QAAVQFGXSNZOPE-IIBYNOLFSA-N 0 1 411.458 2.573 50 0 HFAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccccc2)N1[C@@H]1CCS(=O)(=O)C1 ZINC000008845783 571125483 /nfs/dbraw/zinc/12/54/83/571125483.db2.gz XVEQFVFMFIXUMX-VLIAUNLRSA-N 0 1 409.467 2.515 50 0 HFAAMN CCC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2C1 ZINC000008976952 571197906 /nfs/dbraw/zinc/19/79/06/571197906.db2.gz CTKXEUCGKKCRET-UHFFFAOYSA-N 0 1 404.488 2.799 50 0 HFAAMN COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])[nH]c(=O)n(C2CCCCCC2)c1=O ZINC000009319819 571247883 /nfs/dbraw/zinc/24/78/83/571247883.db2.gz HQECRVLCHNZMNR-HXUWFJFHSA-N 0 1 424.501 2.863 50 0 biogenic HFAAMN CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1O ZINC000009358191 571251450 /nfs/dbraw/zinc/25/14/50/571251450.db2.gz GUTQLDFUWACKKM-IBGZPJMESA-N 0 1 422.872 2.943 50 0 biogenic HFAAMN O=C(CSc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1)NC1CC1 ZINC000070635150 571270449 /nfs/dbraw/zinc/27/04/49/571270449.db2.gz JZMKYTUDLQAJNF-UHFFFAOYSA-N 0 1 401.473 2.816 50 0 HFAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1C(=O)N1CCCCC1 ZINC000009684520 571279480 /nfs/dbraw/zinc/27/94/80/571279480.db2.gz PKFUOYKVZYNRIH-UHFFFAOYSA-N 0 1 405.476 2.787 50 0 HFAAMN CCOC(=O)C1C(COC(=O)c2ccc(COC)cc2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000009728725 571282825 /nfs/dbraw/zinc/28/28/25/571282825.db2.gz DETNHAMBHZKXEN-HXUWFJFHSA-N 0 1 424.453 2.861 50 0 HFAAMN Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 ZINC000008694622 132332151 /nfs/dbraw/zinc/33/21/51/132332151.db2.gz CZFOYYLZIKOPQH-GCJKJVERSA-N 0 1 407.495 2.742 50 0 HFAAMN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000008791963 132333530 /nfs/dbraw/zinc/33/35/30/132333530.db2.gz RQITUIITBXXSDS-GJZGRUSLSA-N 0 1 403.490 2.798 50 0 biogenic HFAAMN C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012766962 132366782 /nfs/dbraw/zinc/36/67/82/132366782.db2.gz KXBMMOPPXYMVMV-QGZVFWFLSA-N 0 1 423.561 2.888 50 0 HFAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000020548963 520562618 /nfs/dbraw/zinc/56/26/18/520562618.db2.gz YVBFETMUQGQIFV-YUWJWYLASA-N 0 1 403.910 2.907 50 0 HFAAMN CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NCc2cn[nH]c2C)cc1 ZINC000072302811 522296376 /nfs/dbraw/zinc/29/63/76/522296376.db2.gz JHVJXBXSQSTJSN-UHFFFAOYSA-N 0 1 416.528 2.707 50 0 HFAAMN COC(=O)CCCCCNC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000040312906 522986873 /nfs/dbraw/zinc/98/68/73/522986873.db2.gz HFBJAIZEWSLBMW-FQEVSTJZSA-N 0 1 414.462 2.529 50 0 biogenic HFAAMN Cc1c(C)n(CCCN2CCOCC2)c2ncn3nc(-c4ccccc4O)nc3c12 ZINC000020591451 525683653 /nfs/dbraw/zinc/68/36/53/525683653.db2.gz UXUQRNOFUFBKDC-UHFFFAOYSA-N 0 1 406.490 2.791 50 0 HFAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@H](c1c(F)cccc1F)SCC(=O)N2 ZINC000031811572 527572866 /nfs/dbraw/zinc/57/28/66/527572866.db2.gz OZMBDXHTVKTWKP-OAHLLOKOSA-N 0 1 413.413 2.900 50 0 HFAAMN CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)n1 ZINC000009620865 535520927 /nfs/dbraw/zinc/52/09/27/535520927.db2.gz QSHQVFMAIGAEMF-UHFFFAOYSA-N 0 1 403.552 2.653 50 0 HFAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@H]1COc2ccccc2O1 ZINC000000958049 557126721 /nfs/dbraw/zinc/12/67/21/557126721.db2.gz ONFHUSCVCWLZEJ-GOSISDBHSA-N 0 1 411.439 2.661 50 0 HFAAMN CCOC(=O)C1C(Cn2cnc3ccccc32)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000001422485 557260705 /nfs/dbraw/zinc/26/07/05/557260705.db2.gz OJZQMTWBXHWRFR-FQEVSTJZSA-N 0 1 420.425 2.636 50 0 HFAAMN O=C(NC1CCN(Cc2ccco2)CC1)c1nccnc1NC(=O)C1CCCCC1 ZINC000034717012 557430663 /nfs/dbraw/zinc/43/06/63/557430663.db2.gz DFUQYCHGBQNBSV-UHFFFAOYSA-N 0 1 411.506 2.983 50 0 HFAAMN CCOC(=O)c1c2c(sc1NC(=O)CN(CC)CC)CN(C(=O)OCC)CC2 ZINC000004335081 557543556 /nfs/dbraw/zinc/54/35/56/557543556.db2.gz QHTHNMDJMKFXPP-UHFFFAOYSA-N 0 1 411.524 2.720 50 0 HFAAMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1 ZINC000004594738 557570782 /nfs/dbraw/zinc/57/07/82/557570782.db2.gz LYBYEIVEMDNVJU-UHFFFAOYSA-N 0 1 412.533 2.668 50 0 HFAAMN CCOC(=O)C1CCN(C(=O)C2CCN(Cc3cc(OC)ccc3OC)CC2)CC1 ZINC000004725554 557587234 /nfs/dbraw/zinc/58/72/34/557587234.db2.gz CEYDEDLNQPPEPH-UHFFFAOYSA-N 0 1 418.534 2.718 50 0 HFAAMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000004818004 557601493 /nfs/dbraw/zinc/60/14/93/557601493.db2.gz YDIZPJLXMXIPPM-UHFFFAOYSA-N 0 1 412.533 2.835 50 0 HFAAMN CCCc1cc(CN(C)Cc2cnc(S(=O)(=O)CCC)n2C[C@H]2CCCO2)n[nH]1 ZINC000011819062 558282388 /nfs/dbraw/zinc/28/23/88/558282388.db2.gz QLTIXPHEELGKTG-LJQANCHMSA-N 0 1 423.583 2.553 50 0 HFAAMN CCc1ccc(CN2C[C@H](Sc3nccn3C)C[C@H]2C(=O)N2CCOCC2)cc1 ZINC000011912099 558297101 /nfs/dbraw/zinc/29/71/01/558297101.db2.gz XJYONBIREJKFBH-UXHICEINSA-N 0 1 414.575 2.577 50 0 HFAAMN Cn1cc(CN2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)cn1 ZINC000012020997 558309463 /nfs/dbraw/zinc/30/94/63/558309463.db2.gz JDUPJAYFLHFDPU-UHFFFAOYSA-N 0 1 408.506 2.861 50 0 HFAAMN Cc1c(C(=O)NCCN2CCCCC2)sc2ncnc(NC[C@H]3CCCO3)c12 ZINC000012038782 558312396 /nfs/dbraw/zinc/31/23/96/558312396.db2.gz NBCCHHNQDHFVGE-OAHLLOKOSA-N 0 1 403.552 2.806 50 0 HFAAMN C[C@@H](NC(=O)COc1ccccc1)c1nnc2n1CCN(Cc1cccs1)CC2 ZINC000012213469 558354313 /nfs/dbraw/zinc/35/43/13/558354313.db2.gz KZFFMHZOOIZVMS-MRXNPFEDSA-N 0 1 411.531 2.654 50 0 HFAAMN O=C(NCCc1cnccn1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012308043 558376457 /nfs/dbraw/zinc/37/64/57/558376457.db2.gz QNKXXZUQOWQDLD-UHFFFAOYSA-N 0 1 417.513 2.888 50 0 HFAAMN Cc1ccccc1N1C(=O)c2ccccc2/C(=C\NCCCN2CCOCC2)C1=O ZINC000020533403 558384586 /nfs/dbraw/zinc/38/45/86/558384586.db2.gz OOCXHKLPQNMFCB-HEHNFIMWSA-N 0 1 405.498 2.835 50 0 HFAAMN CCN1CCN(CC(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OC)CC1 ZINC000020608807 558389277 /nfs/dbraw/zinc/38/92/77/558389277.db2.gz NOANDJRFSPWYGR-UHFFFAOYSA-N 0 1 405.495 2.917 50 0 HFAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(F)ccc1F)C(=O)OC ZINC000020722591 558403411 /nfs/dbraw/zinc/40/34/11/558403411.db2.gz UBWJAGVBILKOBT-VOZBZGINSA-N 0 1 406.433 2.933 50 0 HFAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F)C(=O)OC ZINC000020722594 558403516 /nfs/dbraw/zinc/40/35/16/558403516.db2.gz UBWJAGVBILKOBT-DPZKZMLUSA-N 0 1 406.433 2.933 50 0 HFAAMN O=c1c(CN[C@@H]2CCS(=O)(=O)C2)cc2ccc(F)cc2n1CCc1ccccc1 ZINC000012470407 558421810 /nfs/dbraw/zinc/42/18/10/558421810.db2.gz OLEMRYJYLLXDGN-HXUWFJFHSA-N 0 1 414.502 2.660 50 0 HFAAMN O=C(CCn1cncn1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000012472369 558422338 /nfs/dbraw/zinc/42/23/38/558422338.db2.gz BYENYOAMUIAXGE-QGZVFWFLSA-N 0 1 403.477 2.707 50 0 HFAAMN 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COCCCN1C(=O)N(Cc2ccccn2)C(=O)C12CCN(Cc1ccco1)CC2 ZINC000014749185 558670183 /nfs/dbraw/zinc/67/01/83/558670183.db2.gz QAASZEICSINIAK-UHFFFAOYSA-N 0 1 412.490 2.510 50 0 HFAAMN CN1CCN([C@@H](CNC(=O)COc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000027662231 558678167 /nfs/dbraw/zinc/67/81/67/558678167.db2.gz QLCXHAHCWLXTQD-FQEVSTJZSA-N 0 1 405.901 2.963 50 0 HFAAMN COc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000027793312 558682689 /nfs/dbraw/zinc/68/26/89/558682689.db2.gz KBLRBAKJWMHUJI-NRFANRHFSA-N 0 1 401.938 2.996 50 0 HFAAMN CCOC(=O)c1cc(C)n(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1C ZINC000028249058 558693440 /nfs/dbraw/zinc/69/34/40/558693440.db2.gz GUPLSVIURRQCFW-UHFFFAOYSA-N 0 1 412.534 2.981 50 0 HFAAMN CCOC(=O)c1cnn(-c2ccccc2Cl)c1CNCCCN1CCCC1=O ZINC000014993212 558695281 /nfs/dbraw/zinc/69/52/81/558695281.db2.gz ZPXNXNSXXKQQSP-UHFFFAOYSA-N 0 1 404.898 2.805 50 0 HFAAMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc(C)on2)cc1 ZINC000028879460 558706623 /nfs/dbraw/zinc/70/66/23/558706623.db2.gz FVMOADRUAJZLFP-HUUCEWRRSA-N 0 1 408.524 2.691 50 0 HFAAMN CC(C)[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000016010336 558766467 /nfs/dbraw/zinc/76/64/67/558766467.db2.gz OXAHHVRWKBTZEL-ORGXJRBJSA-N 0 1 409.873 2.921 50 0 HFAAMN O=C(CCN(CCc1ccccc1)C(=O)c1ccc(F)c(Cl)c1)N1CCNCC1 ZINC000035421692 558791198 /nfs/dbraw/zinc/79/11/98/558791198.db2.gz OTJGZEWGDPZAML-UHFFFAOYSA-N 0 1 417.912 2.986 50 0 HFAAMN O=C(CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1)N1CCNCC1 ZINC000035421880 558791516 /nfs/dbraw/zinc/79/15/16/558791516.db2.gz HOOYARWROSJTJQ-UHFFFAOYSA-N 0 1 403.885 2.943 50 0 HFAAMN C[N@@H+]1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000017029101 558812374 /nfs/dbraw/zinc/81/23/74/558812374.db2.gz RZBBJXPUMQNBCQ-RDPSFJRHSA-N 0 1 418.497 2.511 50 0 HFAAMN C[N@H+]1CCN2c3ccccc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1 ZINC000017029101 558812375 /nfs/dbraw/zinc/81/23/75/558812375.db2.gz 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COc1ccccc1CNC(=O)COc1coc(CN2CCCCCC2)cc1=O ZINC000072403776 558966278 /nfs/dbraw/zinc/96/62/78/558966278.db2.gz PJOZIGLSENUPLM-UHFFFAOYSA-N 0 1 400.475 2.720 50 0 HFAAMN CCCn1nc(C(=O)[O-])c2c1CC[C@@H]([NH+]1CCN(C3Cc4ccccc4C3)CC1)C2 ZINC000067655064 558990804 /nfs/dbraw/zinc/99/08/04/558990804.db2.gz GGLDBWXKAJHGCM-LJQANCHMSA-N 0 1 408.546 2.634 50 0 HFAAMN C[C@@]1(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccnc4)ccc3C2)CCCCO1 ZINC000077437431 559005157 /nfs/dbraw/zinc/00/51/57/559005157.db2.gz KFWTYRZISRHJMY-NRFANRHFSA-N 0 1 415.515 2.726 50 0 HFAAMN Cc1cccc2nc(CNC(=O)c3ccc4c(c3)nc(N3CCOCC3)n4C)[nH]c21 ZINC000095368362 559080193 /nfs/dbraw/zinc/08/01/93/559080193.db2.gz XISDIWYFZMZANV-UHFFFAOYSA-N 0 1 404.474 2.525 50 0 HFAAMN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000023325619 559151816 /nfs/dbraw/zinc/15/18/16/559151816.db2.gz HFTOQEQCEQJPQN-SFHVURJKSA-N 0 1 422.533 2.812 50 0 HFAAMN COc1ccccc1[C@H](CNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCCC1 ZINC000023980720 559186959 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ZINC000012284501 568458124 /nfs/dbraw/zinc/45/81/24/568458124.db2.gz MGAZOXRGCDNTAJ-AEFFLSMTSA-N 0 1 409.486 2.943 50 0 HFAAMN C[C@@H]1Cc2cc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)ccc2N1S(C)(=O)=O ZINC000008074621 568490063 /nfs/dbraw/zinc/49/00/63/568490063.db2.gz ARYHMSPPRLAFIS-BEFAXECRSA-N 0 1 417.531 2.557 50 0 HFAAMN CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000020102477 568587824 /nfs/dbraw/zinc/58/78/24/568587824.db2.gz FRDJGZHISRXNNQ-GOSISDBHSA-N 0 1 422.554 2.948 50 0 HFAAMN CCCc1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)n[nH]1 ZINC000095440067 568610615 /nfs/dbraw/zinc/61/06/15/568610615.db2.gz IQKANJNFSITMFF-QGZVFWFLSA-N 0 1 401.463 2.682 50 0 HFAAMN CCOc1ccc(OCC)c(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1 ZINC000020491725 568614643 /nfs/dbraw/zinc/61/46/43/568614643.db2.gz BKNACALSSYARJL-UHFFFAOYSA-N 0 1 406.460 2.924 50 0 HFAAMN O=C(C[C@@H](c1ccccc1)C(F)(F)F)OCCOCCNC(=O)C(F)(F)F ZINC000095467964 568625109 /nfs/dbraw/zinc/62/51/09/568625109.db2.gz FLFHMJLXVLQVGH-LBPRGKRZSA-N 0 1 401.303 2.961 50 0 HFAAMN O=C(CCCNC(=O)C1CC1)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000095469292 568625521 /nfs/dbraw/zinc/62/55/21/568625521.db2.gz XBZZYNKOXMGCRZ-UHFFFAOYSA-N 0 1 421.295 2.508 50 0 HFAAMN O=C(CCCNC(=O)C1CC1)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000095469292 568625523 /nfs/dbraw/zinc/62/55/23/568625523.db2.gz XBZZYNKOXMGCRZ-UHFFFAOYSA-N 0 1 421.295 2.508 50 0 HFAAMN CC(C)Cc1nc(NC(=O)Cc2nn(Cc3ccccc3)c(=O)c3ccccc23)n[nH]1 ZINC000095472473 568627861 /nfs/dbraw/zinc/62/78/61/568627861.db2.gz CYSDRNXCYRRFCA-UHFFFAOYSA-N 0 1 416.485 2.943 50 0 HFAAMN CC(C)Cc1n[nH]c(NC(=O)Cc2nn(Cc3ccccc3)c(=O)c3ccccc23)n1 ZINC000095472473 568627862 /nfs/dbraw/zinc/62/78/62/568627862.db2.gz CYSDRNXCYRRFCA-UHFFFAOYSA-N 0 1 416.485 2.943 50 0 HFAAMN O=C1Nc2ccccc2[C@]12N[C@H](Cc1ccccc1)[C@H]1C(=O)N(C3CCCC3)C(=O)[C@H]12 ZINC000020611417 568637023 /nfs/dbraw/zinc/63/70/23/568637023.db2.gz QBDRECKUDUUQCL-NAZDKBRTSA-N 0 1 415.493 2.592 50 0 biogenic HFAAMN CC[C@@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC)C(=O)OC ZINC000020763523 568642780 /nfs/dbraw/zinc/64/27/80/568642780.db2.gz HUGIRZIBRUGHOD-XVGQJIODSA-N 0 1 400.479 2.663 50 0 biogenic HFAAMN CCc1cccc(C)c1NS(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCOCC1 ZINC000021154310 568673094 /nfs/dbraw/zinc/67/30/94/568673094.db2.gz UNQXKQQLLKAXRC-UHFFFAOYSA-N 0 1 419.547 2.786 50 0 HFAAMN COCCn1cnc2ccc(NC(=O)c3cc(-c4ccccc4OC)n[nH]3)cc2c1=O ZINC000096224129 568706542 /nfs/dbraw/zinc/70/65/42/568706542.db2.gz KYGADCKZFFGLQK-UHFFFAOYSA-N 0 1 419.441 2.694 50 0 HFAAMN COc1cn(CC(=O)N2CCc3ccccc3C2)c(CN2CCCCCC2)cc1=O ZINC000096224030 568706653 /nfs/dbraw/zinc/70/66/53/568706653.db2.gz LRNDXUUYSHOHEU-UHFFFAOYSA-N 0 1 409.530 2.818 50 0 HFAAMN CC(=O)N1CCN(c2ccccc2CNCc2cnn(Cc3ccccc3)c2)CC1 ZINC000240333714 568730121 /nfs/dbraw/zinc/73/01/21/568730121.db2.gz FEYGPEYDXRSGAK-UHFFFAOYSA-N 0 1 403.530 2.890 50 0 HFAAMN COc1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)[nH]n2)C1 ZINC000096324772 568734625 /nfs/dbraw/zinc/73/46/25/568734625.db2.gz MDVGXHDMZKTEEL-GOSISDBHSA-N 0 1 419.485 2.649 50 0 HFAAMN CCN1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2c(F)cccc2Cl)CC(=O)N3)CC1 ZINC000670416200 568768232 /nfs/dbraw/zinc/76/82/32/568768232.db2.gz YKPVWQTWYQEXAR-LLVKDONJSA-N 0 1 405.861 2.591 50 0 HFAAMN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022582660 568770808 /nfs/dbraw/zinc/77/08/08/568770808.db2.gz OOQDGSVYJWFKFE-HXUWFJFHSA-N 0 1 414.937 2.692 50 0 HFAAMN COc1ccc(-c2nc(CC(=O)NC[C@@H]3CN(CC(C)C)CCO3)cs2)cc1 ZINC000028016370 568777519 /nfs/dbraw/zinc/77/75/19/568777519.db2.gz VMYQFTMUVPCXSX-LJQANCHMSA-N 0 1 403.548 2.834 50 0 HFAAMN CC(C)[C@H](NCC(=O)Nc1sccc1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000057383286 568830786 /nfs/dbraw/zinc/83/07/86/568830786.db2.gz MJUNMWNVDJLSMT-SFHVURJKSA-N 0 1 403.504 2.934 50 0 HFAAMN O=C(C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCCc1ccc(Cl)cc1 ZINC000002966928 568831225 /nfs/dbraw/zinc/83/12/25/568831225.db2.gz HIPLIXVOZARFLP-INIZCTEOSA-N 0 1 412.902 2.757 50 0 HFAAMN COC(=O)C1=C(CN2CCN(c3cccc(C)c3)CC2)NC(=O)N[C@H]1c1ccccc1 ZINC000057414234 568833329 /nfs/dbraw/zinc/83/33/29/568833329.db2.gz OKDICNULOVVLEX-QFIPXVFZSA-N 0 1 420.513 2.598 50 0 HFAAMN COC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414563 568833790 /nfs/dbraw/zinc/83/37/90/568833790.db2.gz VVFQTCVTHPTBKG-NRFANRHFSA-N 0 1 407.470 2.535 50 0 HFAAMN CCOc1ccc2nc(SCC(=O)NCC(=O)Nc3ccc(F)cc3)[nH]c2c1 ZINC000012530634 568844234 /nfs/dbraw/zinc/84/42/34/568844234.db2.gz LFBVMGYAIIPRIX-UHFFFAOYSA-N 0 1 402.451 2.948 50 0 HFAAMN COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3[nH]c2=S)cc1OC ZINC000003043787 568848328 /nfs/dbraw/zinc/84/83/28/568848328.db2.gz VNJXETDYOLMRJS-UHFFFAOYSA-N 0 1 413.499 2.825 50 0 HFAAMN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000012745638 568931413 /nfs/dbraw/zinc/93/14/13/568931413.db2.gz MYJOMJNOBSZKEC-HXUWFJFHSA-N 0 1 419.522 2.608 50 0 HFAAMN COc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1NC(C)=O ZINC000007988240 568965760 /nfs/dbraw/zinc/96/57/60/568965760.db2.gz HTXDTZUBXFWERK-UHFFFAOYSA-N 0 1 417.531 2.597 50 0 HFAAMN CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000008345767 568994429 /nfs/dbraw/zinc/99/44/29/568994429.db2.gz PRQYNYBKLUYFQB-UHFFFAOYSA-N 0 1 419.522 2.722 50 0 HFAAMN CCN1CCN(c2ncc3c(n2)CCN(Cc2ccc(Br)cc2)C3)CC1 ZINC000015779403 569002034 /nfs/dbraw/zinc/00/20/34/569002034.db2.gz NHIIRCJYDLMWHI-UHFFFAOYSA-N 0 1 416.367 2.939 50 0 HFAAMN Cc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[nH]2)cc1 ZINC000006309359 569038663 /nfs/dbraw/zinc/03/86/63/569038663.db2.gz YEWQZIQDZREXAM-UHFFFAOYSA-N 0 1 415.500 2.705 50 0 HFAAMN O=C(c1cc(-c2cccnc2)[nH]n1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000035507952 569041028 /nfs/dbraw/zinc/04/10/28/569041028.db2.gz HPRGDNBMRFDEPS-UHFFFAOYSA-N 0 1 411.893 2.962 50 0 HFAAMN COc1ccc2cc(CNC(=O)NCc3ccc(N4CCN(C)CC4)nc3)ccc2c1 ZINC000012981189 569046817 /nfs/dbraw/zinc/04/68/17/569046817.db2.gz DFTANLOZMVDHBM-UHFFFAOYSA-N 0 1 419.529 2.995 50 0 HFAAMN CCOc1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3cccc(C)c3)n2)cc1 ZINC000064969879 569138580 /nfs/dbraw/zinc/13/85/80/569138580.db2.gz DNABNNPVCWOGLG-UHFFFAOYSA-N 0 1 400.504 2.624 50 0 HFAAMN C[C@@H]1Cc2cc(S(=O)(=O)NCCN3CCCCCC3)ccc2N1C(=O)C1CC1 ZINC000006866820 569158937 /nfs/dbraw/zinc/15/89/37/569158937.db2.gz ZOGMPVVFDHMFRX-MRXNPFEDSA-N 0 1 405.564 2.529 50 0 HFAAMN C[C@H]1Cc2cc(S(=O)(=O)NCCN3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000006866829 569158967 /nfs/dbraw/zinc/15/89/67/569158967.db2.gz XQIUOHMVPFMFTB-CVEARBPZSA-N 0 1 405.564 2.527 50 0 HFAAMN CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2c1=O ZINC000006920271 569181765 /nfs/dbraw/zinc/18/17/65/569181765.db2.gz OJDSOASLISCJAK-GJZGRUSLSA-N 0 1 419.547 2.725 50 0 HFAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC)C(=O)OC ZINC000036601910 569205349 /nfs/dbraw/zinc/20/53/49/569205349.db2.gz HUGIRZIBRUGHOD-IRWQIABSSA-N 0 1 400.479 2.663 50 0 HFAAMN COc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)n[nH]2)cc1OC ZINC000524729856 569211894 /nfs/dbraw/zinc/21/18/94/569211894.db2.gz MABVJSKHAKNDCR-ALKREAHSSA-N 0 1 424.501 2.567 50 0 biogenic HFAAMN Cc1scc2nc(C(=O)N3CCN(C4CCCC4)CC3)nc(N3CCOCC3)c12 ZINC000065283330 569216474 /nfs/dbraw/zinc/21/64/74/569216474.db2.gz IYAJPPSLLFYODZ-UHFFFAOYSA-N 0 1 415.563 2.537 50 0 HFAAMN Cc1scc2nc(C(=O)NCCN3CCCCC3)nc(N3CCSCC3)c12 ZINC000065283405 569216545 /nfs/dbraw/zinc/21/65/45/569216545.db2.gz QJEBTHWYKRTDLD-UHFFFAOYSA-N 0 1 405.593 2.769 50 0 HFAAMN CS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(-c4ccccc4)n[nH]3)ccc21 ZINC000007294315 569232637 /nfs/dbraw/zinc/23/26/37/569232637.db2.gz YCFYEXQQJAGQSX-UHFFFAOYSA-N 0 1 414.512 2.769 50 0 HFAAMN C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000170609613 569245121 /nfs/dbraw/zinc/24/51/21/569245121.db2.gz RMPHLIVZZCECSY-LBPRGKRZSA-N 0 1 408.446 2.944 50 0 HFAAMN CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]1[C@@H]1CCCN12 ZINC000249691989 569255468 /nfs/dbraw/zinc/25/54/68/569255468.db2.gz MEEKKTRFOXYBCC-XHOYROJHSA-N 0 1 419.456 2.671 50 0 HFAAMN O=C(CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000252571332 569294455 /nfs/dbraw/zinc/29/44/55/569294455.db2.gz XVAWJHZWWGLLHL-GOSISDBHSA-N 0 1 418.457 2.558 50 0 HFAAMN O=C1CCCN1c1ccc(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000007708752 569301544 /nfs/dbraw/zinc/30/15/44/569301544.db2.gz WVQOBLVJBLRZPP-UHFFFAOYSA-N 0 1 400.382 2.533 50 0 HFAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000043735314 569358261 /nfs/dbraw/zinc/35/82/61/569358261.db2.gz LJWIGFTUPIHQJP-OYYNGEPBSA-N 0 1 418.469 2.802 50 0 HFAAMN COc1ccc(CNC(=O)CCN2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000253409318 569366373 /nfs/dbraw/zinc/36/63/73/569366373.db2.gz LQWXOQBAIZAIGP-UHFFFAOYSA-N 0 1 414.502 2.786 50 0 biogenic HFAAMN CCOC(=O)[C@@](NC(=O)c1ccccc1OCC)(Nc1ncccn1)C(F)(F)F ZINC000002306039 569372408 /nfs/dbraw/zinc/37/24/08/569372408.db2.gz XIHAMTJUWXQIBL-QGZVFWFLSA-N 0 1 412.368 2.539 50 0 HFAAMN 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COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCN(CCO)CC2)c(F)c1 ZINC000095525073 559085923 /nfs/dbraw/zinc/08/59/23/559085923.db2.gz MMFWTNIZMKBILM-UHFFFAOYSA-N 0 1 410.493 2.797 50 0 HFAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)NC2CC2)c1 ZINC000004818201 559115399 /nfs/dbraw/zinc/11/53/99/559115399.db2.gz RNUCFEGTXGDSGU-OAHLLOKOSA-N 0 1 416.499 2.928 50 0 HFAAMN Cc1ccc(-n2nnnc2SCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(C)c1 ZINC000014248061 559161942 /nfs/dbraw/zinc/16/19/42/559161942.db2.gz RANCBOUSKWVRMS-IBGZPJMESA-N 0 1 422.558 2.762 50 0 HFAAMN CCOC(=O)c1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000005154199 559253488 /nfs/dbraw/zinc/25/34/88/559253488.db2.gz DGMQPDHKHXJMCO-UHFFFAOYSA-N 0 1 414.483 2.890 50 0 HFAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc4nncn4n3)cc2)c1 ZINC000005150814 559253684 /nfs/dbraw/zinc/25/36/84/559253684.db2.gz ZDXZEGOGNDVDSO-UHFFFAOYSA-N 0 1 411.443 2.609 50 0 HFAAMN COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OC)nn3)c2)c(OC)c1 ZINC000005204177 560538525 /nfs/dbraw/zinc/53/85/25/560538525.db2.gz FNUAIXIKRGETRX-UHFFFAOYSA-N 0 1 401.444 2.970 50 0 HFAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005346185 560570248 /nfs/dbraw/zinc/57/02/48/560570248.db2.gz QISVXPODGKNSJE-DUBGADTFSA-N 0 1 421.950 2.612 50 0 HFAAMN CC(C)C[C@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]12 ZINC000005346510 560570340 /nfs/dbraw/zinc/57/03/40/560570340.db2.gz RMWIRSJSFLILQE-PTDBIEIZSA-N 0 1 403.910 2.905 50 0 HFAAMN Cc1ccc(-n2c(=O)[nH]nc2C2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cc1 ZINC000169779741 560766305 /nfs/dbraw/zinc/76/63/05/560766305.db2.gz YBOCUWVSKPBBKP-UHFFFAOYSA-N 0 1 402.458 2.765 50 0 HFAAMN CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(-c3cc(C)cc(C)c3)c2O)=NN1 ZINC000101763037 560800914 /nfs/dbraw/zinc/80/09/14/560800914.db2.gz SGPQURCRQBRBCI-KRWDZBQOSA-N 0 1 420.469 2.686 50 0 HFAAMN COc1ccccc1-c1n[nH]c(NC(=O)CCCn2cnc3ccccc3c2=O)n1 ZINC000048011866 568431917 /nfs/dbraw/zinc/43/19/17/568431917.db2.gz UNWCTCKYQGTPMD-UHFFFAOYSA-N 0 1 404.430 2.609 50 0 HFAAMN COC(=O)c1ccnc(N2CCCN(CCC(=O)Nc3ccc(C(C)=O)cc3)CC2)c1 ZINC000048344087 568440744 /nfs/dbraw/zinc/44/07/44/568440744.db2.gz UCEZXOYXUDXOAL-UHFFFAOYSA-N 0 1 424.501 2.612 50 0 HFAAMN CN1CCN(C[C@H]2CN(c3nc(-c4ccsc4)nc4ccccc43)CCO2)CC1 ZINC000095393108 568604137 /nfs/dbraw/zinc/60/41/37/568604137.db2.gz SUGOPCHGJYSLRP-SFHVURJKSA-N 0 1 409.559 2.811 50 0 HFAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(Cn4cncn4)cc3)[nH]n2)cc1OC ZINC000095473039 568628255 /nfs/dbraw/zinc/62/82/55/568628255.db2.gz VHNBMMCKQLADGQ-UHFFFAOYSA-N 0 1 404.430 2.986 50 0 HFAAMN COc1ccc([C@H]2[C@H](C(=O)NCCc3cnc[nH]3)c3ccccc3C(=O)N2C)cc1 ZINC000095479282 568632427 /nfs/dbraw/zinc/63/24/27/568632427.db2.gz WNEHNKWMYHWEQZ-RTWAWAEBSA-N 0 1 404.470 2.688 50 0 HFAAMN CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 ZINC000020614325 568637808 /nfs/dbraw/zinc/63/78/08/568637808.db2.gz NWULHHYFLRDJGV-HXUWFJFHSA-N 0 1 411.502 2.533 50 0 HFAAMN O=C(NCCc1cccs1)C1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000096324715 568676215 /nfs/dbraw/zinc/67/62/15/568676215.db2.gz OLTZWSSRPQIERK-UHFFFAOYSA-N 0 1 409.515 2.744 50 0 HFAAMN CC(C)Cc1nc2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)cc2[nH]1 ZINC000096113829 568693336 /nfs/dbraw/zinc/69/33/36/568693336.db2.gz WJUKFFCYQVRBLI-GOSISDBHSA-N 0 1 405.458 2.841 50 0 biogenic HFAAMN COc1ccccc1OCCN1C[C@H](C(=O)Nc2ccc3nc(C)[nH]c3c2)CC1=O ZINC000096223092 568706106 /nfs/dbraw/zinc/70/61/06/568706106.db2.gz RTKIYSZSRKYSGO-OAHLLOKOSA-N 0 1 408.458 2.746 50 0 HFAAMN CCOC(=O)c1noc2nc(C)nc(NCCCN3CCN(c4ccccc4)CC3)c12 ZINC000021539130 568713258 /nfs/dbraw/zinc/71/32/58/568713258.db2.gz NBERGRUVGLACDW-UHFFFAOYSA-N 0 1 424.505 2.727 50 0 HFAAMN Cc1oc2cc(OCCN3CCN(CCO)CC3)ccc2c(=O)c1-c1ccccc1 ZINC000096298721 568722791 /nfs/dbraw/zinc/72/27/91/568722791.db2.gz YHSMTLQGBXGKGL-UHFFFAOYSA-N 0 1 408.498 2.757 50 0 biogenic HFAAMN O=C(COc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000000913171 568750266 /nfs/dbraw/zinc/75/02/66/568750266.db2.gz DPVFFTMWZGFSPS-UHFFFAOYSA-N 0 1 418.862 2.948 50 0 HFAAMN O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1n[nH]c2c1CCCCC2 ZINC000670440806 568890866 /nfs/dbraw/zinc/89/08/66/568890866.db2.gz QYPJJDUNCSAGGO-UHFFFAOYSA-N 0 1 402.804 2.829 50 0 HFAAMN CCOCC(=O)N1CCC(C(=O)NCCCc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000670440473 568892458 /nfs/dbraw/zinc/89/24/58/568892458.db2.gz HJURNYNCXUIPAC-UHFFFAOYSA-N 0 1 406.914 2.540 50 0 HFAAMN COc1ccc(CCN[C@H]2CNC(=O)c3cc(-c4ccc(F)cc4)nn32)cc1OC ZINC000263618084 568912547 /nfs/dbraw/zinc/91/25/47/568912547.db2.gz RDXNXUQTNVMCCC-OAQYLSRUSA-N 0 1 410.449 2.781 50 0 HFAAMN CSc1ncc(Cl)c(C(=O)NCCCN2CCN(c3ccccc3)CC2)n1 ZINC000031239635 568920474 /nfs/dbraw/zinc/92/04/74/568920474.db2.gz OLKBLHJQJJVXSM-UHFFFAOYSA-N 0 1 405.955 2.794 50 0 HFAAMN CNC(=O)c1cc(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cn1C ZINC000031668688 568929056 /nfs/dbraw/zinc/92/90/56/568929056.db2.gz AKUDFMVQLIMXSS-UHFFFAOYSA-N 0 1 417.462 2.904 50 0 HFAAMN CCN1CCN([C@H]2CCN(C(=O)Nc3nnc(Cc4cccc(F)c4)s3)C2)CC1 ZINC000084789305 568959412 /nfs/dbraw/zinc/95/94/12/568959412.db2.gz TYOAPGQUFJNGIC-KRWDZBQOSA-N 0 1 418.542 2.512 50 0 HFAAMN COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)n[nH]2)c1 ZINC000015680678 568967602 /nfs/dbraw/zinc/96/76/02/568967602.db2.gz LWBNYJIRIXFLJZ-UHFFFAOYSA-N 0 1 408.433 2.823 50 0 HFAAMN COc1ccc([C@H]2CCCCCN2CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000008157243 568978510 /nfs/dbraw/zinc/97/85/10/568978510.db2.gz XHPKKXBURUYBLE-OAQYLSRUSA-N 0 1 409.534 2.751 50 0 HFAAMN COc1ccc([C@@H]2CCCCCN2CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000008157242 568978626 /nfs/dbraw/zinc/97/86/26/568978626.db2.gz XHPKKXBURUYBLE-NRFANRHFSA-N 0 1 409.534 2.751 50 0 HFAAMN COc1cccc(C(=O)N2CCC(C(=O)NCc3n[nH]c4c3CCCCC4)CC2)c1 ZINC000670469526 568979924 /nfs/dbraw/zinc/97/99/24/568979924.db2.gz GAMFBKZSPTWXOT-UHFFFAOYSA-N 0 1 410.518 2.856 50 0 HFAAMN O=C(CCCc1c[nH]c2ccccc12)NCCN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000583652776 569009335 /nfs/dbraw/zinc/00/93/35/569009335.db2.gz KCHXRLRYCIXUIB-QUCCMNQESA-N 0 1 418.541 2.888 50 0 biogenic HFAAMN COCCNC(=O)NC(=O)CN[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000012910056 569021403 /nfs/dbraw/zinc/02/14/03/569021403.db2.gz YWYYRAQPWLAIJE-FQEVSTJZSA-N 0 1 401.532 2.778 50 0 HFAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2CCCN21 ZINC000245242138 569055316 /nfs/dbraw/zinc/05/53/16/569055316.db2.gz BUPCYOAOQQHOCU-KCOOYEKVSA-N 0 1 401.466 2.680 50 0 HFAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000248330785 569057642 /nfs/dbraw/zinc/05/76/42/569057642.db2.gz GIOAWWPCSIQNBC-GSRZOBFVSA-N 0 1 419.456 2.874 50 0 HFAAMN O=C(CN(CCN1CCCC1)C(=O)c1ccc(Br)cc1)Nc1ccon1 ZINC000016647233 569061547 /nfs/dbraw/zinc/06/15/47/569061547.db2.gz PCUKIUMOKDLNRX-UHFFFAOYSA-N 0 1 421.295 2.614 50 0 HFAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NC(C)C)[nH]c2=O)cc1 ZINC000064591989 569069342 /nfs/dbraw/zinc/06/93/42/569069342.db2.gz GHWDAZXQNQQUDZ-UHFFFAOYSA-N 0 1 423.560 2.974 50 0 HFAAMN CCOC(=O)C1=C(CN2CCN(CC)CC2)N(CC)C(=O)N[C@H]1c1ccccc1C ZINC000035991322 569074654 /nfs/dbraw/zinc/07/46/54/569074654.db2.gz KCHMZKONZOKVPM-NRFANRHFSA-N 0 1 414.550 2.536 50 0 HFAAMN CCn1c2c(C(=O)NC3CCCC3)cnn2c(=O)c2c1CCN(Cc1ccccc1)C2 ZINC000064835902 569104502 /nfs/dbraw/zinc/10/45/02/569104502.db2.gz CFUFMBKEEQMMSS-UHFFFAOYSA-N 0 1 419.529 2.747 50 0 HFAAMN CCN1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2cccn2C)CC1 ZINC000036341918 569142064 /nfs/dbraw/zinc/14/20/64/569142064.db2.gz FWLBEKHQVJGDJY-NRFANRHFSA-N 0 1 413.953 2.994 50 0 HFAAMN CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CCN(CCC)CC3)C2)ncn1 ZINC000065242409 569204756 /nfs/dbraw/zinc/20/47/56/569204756.db2.gz NTYABKTXDWNZRB-IBGZPJMESA-N 0 1 402.587 2.849 50 0 HFAAMN CCCNc1cc(N2CCC(CCC(=O)N3CCN(CCC)CC3)CC2)ncn1 ZINC000065274221 569214967 /nfs/dbraw/zinc/21/49/67/569214967.db2.gz LISWKONWUFMPDE-UHFFFAOYSA-N 0 1 402.587 2.849 50 0 HFAAMN CCN(CC)[C@@H](CNC(=O)c1cccc(CS(C)(=O)=O)c1)Cc1ccccc1 ZINC000036832052 569229735 /nfs/dbraw/zinc/22/97/35/569229735.db2.gz BWXZJPQBSZCNDN-OAQYLSRUSA-N 0 1 402.560 2.914 50 0 HFAAMN CCCn1c(CN2CCCC[C@H](COC)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000170597087 569241988 /nfs/dbraw/zinc/24/19/88/569241988.db2.gz PYIFVKHWSPMNQD-KRWDZBQOSA-N 0 1 422.595 2.945 50 0 HFAAMN CC[C@H](C)[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(F)ccc1F)C(=O)OC ZINC000042751523 569254319 /nfs/dbraw/zinc/25/43/19/569254319.db2.gz UBWJAGVBILKOBT-SDDDUWNISA-N 0 1 406.433 2.933 50 0 HFAAMN C[C@@H](c1ccccc1)n1c(=O)[nH]c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1=O ZINC000017029290 569272068 /nfs/dbraw/zinc/27/20/68/569272068.db2.gz NUSXXRAVVHGQJG-RBZFPXEDSA-N 0 1 402.454 2.568 50 0 biogenic HFAAMN CCN1CCN(c2c(CN(CCCOC)C(C)=O)c(C)nn2-c2ccccc2)CC1 ZINC000034835135 569292647 /nfs/dbraw/zinc/29/26/47/569292647.db2.gz HRPVXQHIYXNKDP-UHFFFAOYSA-N 0 1 413.566 2.708 50 0 HFAAMN O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000252549963 569294169 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COc1ccc([C@H](CNC(=O)Cc2n[nH]c(=O)c3ccccc23)N2CCCCC2)cc1 ZINC000008134785 568976782 /nfs/dbraw/zinc/97/67/82/568976782.db2.gz FSAABIUWKMRSGV-QFIPXVFZSA-N 0 1 420.513 2.818 50 0 HFAAMN CCOC(=O)C1C(COC(=O)[C@@H]2CC=CCC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000008388831 568996277 /nfs/dbraw/zinc/99/62/77/568996277.db2.gz VZEOZXJEBXSRDB-DNVCBOLYSA-N 0 1 414.458 2.766 50 0 HFAAMN COc1ccc(CC(=O)N2CCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1 ZINC000015772530 568998600 /nfs/dbraw/zinc/99/86/00/568998600.db2.gz RZSXDRVPBKZVSI-UHFFFAOYSA-N 0 1 422.460 2.752 50 0 HFAAMN CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)s1 ZINC000013996637 569005107 /nfs/dbraw/zinc/00/51/07/569005107.db2.gz XFYJSEDLKCPIGA-UHFFFAOYSA-N 0 1 404.564 2.748 50 0 HFAAMN COc1cccc(CNC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)N2)c1 ZINC000015826825 569011572 /nfs/dbraw/zinc/01/15/72/569011572.db2.gz MYVVYUODYVSLQK-AWEZNQCLSA-N 0 1 401.488 2.750 50 0 HFAAMN COc1cccc(CNC(=O)C[C@H](C)CC2=Nc3ccccc3S(=O)(=O)N2)c1 ZINC000015826828 569011615 /nfs/dbraw/zinc/01/16/15/569011615.db2.gz MYVVYUODYVSLQK-CQSZACIVSA-N 0 1 401.488 2.750 50 0 HFAAMN CC(C)CN1CCO[C@@H](CNC(=O)CN(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868136 569012323 /nfs/dbraw/zinc/01/23/23/569012323.db2.gz WCWKQZNOTWERFQ-INIZCTEOSA-N 0 1 402.366 2.898 50 0 HFAAMN C[C@H](CN(CC(=O)N1CCNCC1)C(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000015864125 569016336 /nfs/dbraw/zinc/01/63/36/569016336.db2.gz WLXIHBIGPCIROV-MRXNPFEDSA-N 0 1 401.457 2.643 50 0 HFAAMN Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](C(C)C)N[C@@]32c3ccccc3NC2=O)cc1C ZINC000015958223 569024726 /nfs/dbraw/zinc/02/47/26/569024726.db2.gz GUVNIYYCPLIEAG-XHOYROJHSA-N 0 1 403.482 2.884 50 0 biogenic HFAAMN Cc1cc(O[C@H]2CCCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)[nH]n3)C2)nc(C)n1 ZINC000575610265 569032375 /nfs/dbraw/zinc/03/23/75/569032375.db2.gz VBMOVMOPDCMYCG-INIZCTEOSA-N 0 1 421.457 2.896 50 0 HFAAMN Cc1ccc(C)c(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)c1 ZINC000006309332 569038685 /nfs/dbraw/zinc/03/86/85/569038685.db2.gz JYTBYKTUSGFGFT-UHFFFAOYSA-N 0 1 413.459 2.545 50 0 HFAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000245309463 569055724 /nfs/dbraw/zinc/05/57/24/569055724.db2.gz DIMRZIVYBGEWTB-KEXUJGGDSA-N 0 1 405.429 2.565 50 0 HFAAMN CCC(Nc1ccc(NC(C)=O)cc1)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000006591057 569068742 /nfs/dbraw/zinc/06/87/42/569068742.db2.gz CTGDGBLFVSVOPG-VHEBQXMUSA-N 0 1 406.442 3.000 50 0 HFAAMN COc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036102068 569091755 /nfs/dbraw/zinc/09/17/55/569091755.db2.gz BQUSPTWLZWOJJP-JOCHJYFZSA-N 0 1 414.546 2.578 50 0 HFAAMN COc1ccc(-c2nnc(CCNS(=O)(=O)c3c(C)cc(C)cc3C)[nH]2)cc1 ZINC000064969485 569137952 /nfs/dbraw/zinc/13/79/52/569137952.db2.gz FMQXCYNSZXPSCI-UHFFFAOYSA-N 0 1 400.504 2.927 50 0 HFAAMN CC1(C)CC(=O)c2cnc3c(C(=O)N4CCN(C5CCCCC5)CC4)cnn3c2C1 ZINC000064987417 569145105 /nfs/dbraw/zinc/14/51/05/569145105.db2.gz RHENVVOCQVXAHD-UHFFFAOYSA-N 0 1 409.534 2.975 50 0 HFAAMN CC(C)C(=O)Nc1ccc(-n2cnc(C(=O)N3CCN(C4CCCCC4)CC3)c2)nc1 ZINC000065196979 569194969 /nfs/dbraw/zinc/19/49/69/569194969.db2.gz LWJRRFMHZDAWMJ-UHFFFAOYSA-N 0 1 424.549 2.952 50 0 HFAAMN CCCN1CCN(C(=O)C2CCN(c3nnc(-c4ccc(OC)cc4)o3)CC2)CC1 ZINC000065229757 569200627 /nfs/dbraw/zinc/20/06/27/569200627.db2.gz OPMBLEXFWXEENG-UHFFFAOYSA-N 0 1 413.522 2.516 50 0 HFAAMN CC(C)Oc1ccc(CCC(=O)NCCN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000524731032 569211991 /nfs/dbraw/zinc/21/19/91/569211991.db2.gz HUBDAUHQNHNROS-RTWAWAEBSA-N 0 1 423.557 2.804 50 0 biogenic HFAAMN Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2nnc[nH]2)c1 ZINC000007111864 569221532 /nfs/dbraw/zinc/22/15/32/569221532.db2.gz MYNVOKJUBMUQLG-UHFFFAOYSA-N 0 1 406.471 2.851 50 0 HFAAMN O=C(CNCc1cccs1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000007158368 569226004 /nfs/dbraw/zinc/22/60/04/569226004.db2.gz BJEMMLPLLZDTLH-UHFFFAOYSA-N 0 1 413.952 2.914 50 0 HFAAMN C[C@@H](CCNC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S)[S@@](C)=O ZINC000089895471 569267971 /nfs/dbraw/zinc/26/79/71/569267971.db2.gz SPIXHRTYMQYIBW-PWFNWSNSSA-N 0 1 409.577 2.893 50 0 HFAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)n1 ZINC000017012287 569271493 /nfs/dbraw/zinc/27/14/93/569271493.db2.gz GUQNCDGKAXZZNL-UHFFFAOYSA-N 0 1 423.561 2.882 50 0 HFAAMN COc1ccc(-c2n[nH]c(NC(=O)CC[C@H]3NC(=O)c4ccccc4NC3=O)n2)cc1 ZINC000252549723 569294048 /nfs/dbraw/zinc/29/40/48/569294048.db2.gz RTMAPTMCCQBYGA-MRXNPFEDSA-N 0 1 420.429 2.599 50 0 HFAAMN Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1 ZINC000007775119 569308493 /nfs/dbraw/zinc/30/84/93/569308493.db2.gz IKKCYRJQWCTODP-UHFFFAOYSA-N 0 1 410.499 2.532 50 0 HFAAMN CCOc1c(Br)cc(CNCCS(C)(=O)=O)cc1Br ZINC000037740847 569314958 /nfs/dbraw/zinc/31/49/58/569314958.db2.gz GQJKLGIUIUOWBG-UHFFFAOYSA-N 0 1 415.147 2.745 50 0 HFAAMN Cc1n[nH]c(C(N)=O)c1NC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 ZINC000069813982 571245601 /nfs/dbraw/zinc/24/56/01/571245601.db2.gz XVJOACRMQIJELN-UHFFFAOYSA-N 0 1 404.430 2.604 50 0 HFAAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 ZINC000009835248 571287774 /nfs/dbraw/zinc/28/77/74/571287774.db2.gz ZFMFBDQKXFTDNL-LJQANCHMSA-N 0 1 419.547 2.877 50 0 HFAAMN C[C@@H](NC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1)c1cccc2ccccc21 ZINC000009983203 571293534 /nfs/dbraw/zinc/29/35/34/571293534.db2.gz JKAQESWOQFHOJO-QUCCMNQESA-N 0 1 409.530 2.588 50 0 HFAAMN O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000005076047 132300441 /nfs/dbraw/zinc/30/04/41/132300441.db2.gz JVLKNWDOKBUTMB-UHFFFAOYSA-N 0 1 404.879 2.821 50 0 HFAAMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2 ZINC000005136852 132303000 /nfs/dbraw/zinc/30/30/00/132303000.db2.gz QONRRLDNZATIIB-UHFFFAOYSA-N 0 1 410.517 2.517 50 0 HFAAMN COc1cccc(CN2CCC[C@@H](NC(=O)c3ccccc3N3CCOCC3)C2)c1 ZINC000011668024 132349134 /nfs/dbraw/zinc/34/91/34/132349134.db2.gz LIXFCVCZBYRJGK-HXUWFJFHSA-N 0 1 409.530 2.926 50 0 HFAAMN CCOc1ccc(-n2nnc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2C)cc1 ZINC000011692779 132349144 /nfs/dbraw/zinc/34/91/44/132349144.db2.gz KJXZCYDFMBMZCJ-UHFFFAOYSA-N 0 1 420.517 2.979 50 0 HFAAMN CN(C)[C@H](CNC(=O)CSCc1cc(=O)n2ccsc2n1)c1cccc(F)c1 ZINC000032730900 522071618 /nfs/dbraw/zinc/07/16/18/522071618.db2.gz XTZFUGNXHQRASH-MRXNPFEDSA-N 0 1 420.535 2.547 50 0 HFAAMN COC(=O)c1ccc(OC)c(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)c1 ZINC000040309449 522141466 /nfs/dbraw/zinc/14/14/66/522141466.db2.gz BVMQYBQHYOGNRZ-LJQANCHMSA-N 0 1 407.430 2.780 50 0 biogenic HFAAMN COc1cc(CN2CCN(Cc3cc(C(C)C)[nH]n3)C[C@@H]2CCO)cc(OC)c1 ZINC000020601748 522382660 /nfs/dbraw/zinc/38/26/60/522382660.db2.gz AGGBGYLNJLAMJT-IBGZPJMESA-N 0 1 402.539 2.619 50 0 HFAAMN CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)CC1(N2CCOCC2)CCCCC1 ZINC000020601545 523543049 /nfs/dbraw/zinc/54/30/49/523543049.db2.gz LBSZVGMMVDPTIZ-UHFFFAOYSA-N 0 1 414.506 2.932 50 0 HFAAMN CC[C@@]1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[nH]cnc1=NN ZINC000020289752 523729188 /nfs/dbraw/zinc/72/91/88/523729188.db2.gz OHWKGNDGMIRZPW-IBGZPJMESA-N 0 1 400.508 2.603 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccnn2C)c1 ZINC000032033744 524647928 /nfs/dbraw/zinc/64/79/28/524647928.db2.gz QHZSMFMZUFNNIG-ZHACJKMWSA-N 0 1 412.471 2.881 50 0 HFAAMN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(C)C)CC3)CC2)cc1C ZINC000040160079 525518170 /nfs/dbraw/zinc/51/81/70/525518170.db2.gz GJIPFSYLSHPXCF-UHFFFAOYSA-N 0 1 421.607 2.504 50 0 HFAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000032904303 527529457 /nfs/dbraw/zinc/52/94/57/527529457.db2.gz OBHDXLGLQFDGBB-OAQYLSRUSA-N 0 1 424.936 2.891 50 0 HFAAMN CN1CCN(c2ccc(NC(=O)COc3cccc(Br)c3)cn2)CC1 ZINC000012802534 536422984 /nfs/dbraw/zinc/42/29/84/536422984.db2.gz BBOWYSMDQUSRNS-UHFFFAOYSA-N 0 1 405.296 2.613 50 0 HFAAMN COc1ccc(OC)c(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)c1 ZINC000000795495 557082925 /nfs/dbraw/zinc/08/29/25/557082925.db2.gz AURUKPHQIOVKDR-UHFFFAOYSA-N 0 1 412.530 2.937 50 0 HFAAMN COc1cc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(Br)c1O ZINC000001193468 557236991 /nfs/dbraw/zinc/23/69/91/557236991.db2.gz CFDBOLQTHZTVLZ-KGLIPLIRSA-N 0 1 405.292 2.944 50 0 HFAAMN Cc1ccc(NC(=O)c2coc(CN3CCN(C[C@H](O)C(C)C)CC3)n2)cc1F ZINC000034677456 557365030 /nfs/dbraw/zinc/36/50/30/557365030.db2.gz SHTCSPPUXLSSME-IBGZPJMESA-N 0 1 404.486 2.509 50 0 HFAAMN O=C(Nc1nccnc1C(=O)NC1CCN(Cc2ccco2)CC1)c1ccccc1 ZINC000034716981 557430594 /nfs/dbraw/zinc/43/05/94/557430594.db2.gz XRXUMLAMZAEPKD-UHFFFAOYSA-N 0 1 405.458 2.716 50 0 HFAAMN CCOc1cc(CNCCO)c(Cl)cc1OCC(=O)NCCc1ccccc1 ZINC000004670914 557579345 /nfs/dbraw/zinc/57/93/45/557579345.db2.gz ZAEWCSQWPTWQTL-UHFFFAOYSA-N 0 1 406.910 2.558 50 0 HFAAMN COc1ccc(OC)c(N2C(=O)C[C@@H]([C@H]3CCCC=C3N3CCOCC3)C2=O)c1 ZINC000005015820 557626060 /nfs/dbraw/zinc/62/60/60/557626060.db2.gz MEEMMDQFRGTIMD-SJORKVTESA-N 0 1 400.475 2.600 50 0 HFAAMN COc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccc(C)cc4)C3)[nH]c2c1 ZINC000008310808 557780785 /nfs/dbraw/zinc/78/07/85/557780785.db2.gz ZBHHHFRVVSNADP-UHFFFAOYSA-N 0 1 410.499 2.914 50 0 HFAAMN CSc1ccccc1OCc1cc(C(=O)NCCN2CCCC[C@H]2CO)no1 ZINC000012303358 558372946 /nfs/dbraw/zinc/37/29/46/558372946.db2.gz RATYULYSXFFSRP-HNNXBMFYSA-N 0 1 405.520 2.552 50 0 HFAAMN CCOC(=O)c1ccc(NC(=O)CC2C(=O)Nc3nc(-c4ccc(C)cc4)nn32)cc1 ZINC000020724105 558404065 /nfs/dbraw/zinc/40/40/65/558404065.db2.gz VRHFFDODGMNAGK-QGZVFWFLSA-N 0 1 419.441 2.952 50 0 HFAAMN CN(Cc1n[nH]c2c1CCCCC2)C(=O)[C@H]1CCC(=O)N(CCc2ccccn2)C1 ZINC000012447321 558414567 /nfs/dbraw/zinc/41/45/67/558414567.db2.gz KNAZWLQHCQJYEO-KRWDZBQOSA-N 0 1 409.534 2.513 50 0 HFAAMN Cc1ccc(CN2CCc3nnc([C@H](NC(=O)c4ccccn4)C(C)C)n3CC2)o1 ZINC000020905827 558420688 /nfs/dbraw/zinc/42/06/88/558420688.db2.gz BEGCTBANFRNARH-HXUWFJFHSA-N 0 1 408.506 2.760 50 0 HFAAMN CSc1nc(C)c(CCC(=O)NCC2(N3CCOCC3)CCCCC2)c(C)n1 ZINC000012791793 558466024 /nfs/dbraw/zinc/46/60/24/558466024.db2.gz APGGZHORYLTKCL-UHFFFAOYSA-N 0 1 406.596 2.899 50 0 HFAAMN O=C(NCc1n[nH]c2c1CCC2)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000012316448 558482537 /nfs/dbraw/zinc/48/25/37/558482537.db2.gz GOTJNALRHRLTMR-OAHLLOKOSA-N 0 1 400.910 2.649 50 0 HFAAMN CCc1n[nH]c(-n2ccc3c(cnc4c(-c5ccc(OC)cc5)c(C)nn43)c2=O)n1 ZINC000022610647 558501955 /nfs/dbraw/zinc/50/19/55/558501955.db2.gz MKCHITURMRRQHT-UHFFFAOYSA-N 0 1 401.430 2.698 50 0 HFAAMN CCc1nc(-n2ccc3c(cnc4c(-c5ccc(OC)cc5)c(C)nn43)c2=O)n[nH]1 ZINC000022610647 558501956 /nfs/dbraw/zinc/50/19/56/558501956.db2.gz MKCHITURMRRQHT-UHFFFAOYSA-N 0 1 401.430 2.698 50 0 HFAAMN COc1ccc(CN2CCN(Cc3ccc(O)c(OC)c3)C[C@@H]2CCO)cc1C ZINC000023373395 558553627 /nfs/dbraw/zinc/55/36/27/558553627.db2.gz SPYPDQOXFBCYJE-FQEVSTJZSA-N 0 1 400.519 2.787 50 0 HFAAMN O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023936079 558581935 /nfs/dbraw/zinc/58/19/35/558581935.db2.gz SOILCPCDOZMIHX-UHFFFAOYSA-N 0 1 412.497 2.838 50 0 HFAAMN COc1ccc(CN2C(=O)N(C)C3(CCN(Cc4cccc(O)c4)CC3)C2=O)cc1 ZINC000014539116 558659137 /nfs/dbraw/zinc/65/91/37/558659137.db2.gz PHBSNMBQDHZGRU-UHFFFAOYSA-N 0 1 409.486 2.830 50 0 HFAAMN O=C1CCCN1c1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000026833044 558665613 /nfs/dbraw/zinc/66/56/13/558665613.db2.gz REZBTRYTNZEMAT-UHFFFAOYSA-N 0 1 413.543 2.540 50 0 HFAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000016002769 558766342 /nfs/dbraw/zinc/76/63/42/558766342.db2.gz URWXAHTZZDCMNX-UHFFFAOYSA-N 0 1 421.950 2.889 50 0 HFAAMN CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(C)c2)cc1 ZINC000035422087 558791777 /nfs/dbraw/zinc/79/17/77/558791777.db2.gz JXJGXJVRQHKTMU-UHFFFAOYSA-N 0 1 409.530 2.858 50 0 HFAAMN COc1cccc([C@H](CNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)N2CCCC2)c1 ZINC000032988498 558808257 /nfs/dbraw/zinc/80/82/57/558808257.db2.gz CFXNOVRIPVQSSH-PZJWPPBQSA-N 0 1 413.518 2.996 50 0 HFAAMN CCn1ncc(CN2CCN(Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c1C ZINC000038149377 558811011 /nfs/dbraw/zinc/81/10/11/558811011.db2.gz QNXUMGVJSSUNNF-JOCHJYFZSA-N 0 1 400.567 2.906 50 0 HFAAMN CCOC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc21)c1ccccc1Cl ZINC000004594282 558832037 /nfs/dbraw/zinc/83/20/37/558832037.db2.gz VJALGEGOWBCNKV-CQSZACIVSA-N 0 1 411.892 2.927 50 0 HFAAMN CCc1nc2ncc(-c3ccnc(N4CCN(Cc5ccccc5)CC4)n3)c(C)n2n1 ZINC000054202038 558866744 /nfs/dbraw/zinc/86/67/44/558866744.db2.gz VLPORKDZGPBVOJ-UHFFFAOYSA-N 0 1 414.517 2.774 50 0 HFAAMN O[C@@H](COCc1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019309370 558866711 /nfs/dbraw/zinc/86/67/11/558866711.db2.gz UHQXMYLPHSPWLQ-HXUWFJFHSA-N 0 1 418.921 2.764 50 0 HFAAMN O=c1ccc2cc(S(=O)(=O)NCCN(Cc3ccco3)C3CCCC3)ccc2[nH]1 ZINC000033077196 558868678 /nfs/dbraw/zinc/86/86/78/558868678.db2.gz TVFJFPMHNYBPOY-UHFFFAOYSA-N 0 1 415.515 2.844 50 0 HFAAMN C[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1cc(F)ccc1N1CCN(C)CC1 ZINC000060358018 558869019 /nfs/dbraw/zinc/86/90/19/558869019.db2.gz UWFUACCDISEURR-ZDUSSCGKSA-N 0 1 413.465 2.895 50 0 HFAAMN CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c(NN)n1 ZINC000019418270 558885171 /nfs/dbraw/zinc/88/51/71/558885171.db2.gz MPEANPFBOIREIZ-UHFFFAOYSA-N 0 1 402.549 2.962 50 0 HFAAMN 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0 HFAAMN NC(=O)c1n[nH]c2ccc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)cc21 ZINC000089853213 569267280 /nfs/dbraw/zinc/26/72/80/569267280.db2.gz MFQDQSYGJRBNAG-UHFFFAOYSA-N 0 1 424.420 2.613 50 0 HFAAMN CC(C)C(=O)O[C@@H](COc1ccccc1)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000002139913 569287717 /nfs/dbraw/zinc/28/77/17/569287717.db2.gz QYMKFWVUVMQBDX-QKNQBKEWSA-N 0 1 410.514 2.914 50 0 biogenic HFAAMN CCOC(=O)c1sc(NC(=O)N2C[C@H](C)N(C)C[C@H]2C)c(C(=O)OCC)c1C ZINC000252476980 569288431 /nfs/dbraw/zinc/28/84/31/569288431.db2.gz FYYXKKLOKNZOFL-NWDGAFQWSA-N 0 1 411.524 2.966 50 0 HFAAMN O=C(CSc1nnnn1C1CCCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000027811634 569396714 /nfs/dbraw/zinc/39/67/14/569396714.db2.gz QYDDIZSLOLTAFC-KRWDZBQOSA-N 0 1 400.552 2.661 50 0 HFAAMN CC(=O)N1CCCc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccc(C)o3)ccc21 ZINC000055279083 569397943 /nfs/dbraw/zinc/39/79/43/569397943.db2.gz RQNJSOXMOXJKEP-UHFFFAOYSA-N 0 1 419.547 2.640 50 0 HFAAMN O=S(=O)(C1=Cc2ccc(OC(F)F)cc2CC1)N1CCC[C@@H](c2nc[nH]n2)C1 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50 0 HFAAMN Cc1nnc(NC(=O)c2nc(S(=O)(=O)Cc3ccccc3C)ncc2Cl)s1 ZINC000009206967 571236706 /nfs/dbraw/zinc/23/67/06/571236706.db2.gz WDAHPDHNGZFWMI-UHFFFAOYSA-N 0 1 423.907 2.825 50 0 HFAAMN Cc1cccc(N2CCN(C(=O)COC(=O)c3cc(=O)c4ccccc4[nH]3)CC2)c1C ZINC000009218804 571237888 /nfs/dbraw/zinc/23/78/88/571237888.db2.gz TWHGKPBJPSGLGY-UHFFFAOYSA-N 0 1 419.481 2.651 50 0 HFAAMN COC(=O)CSc1nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2o1 ZINC000009338424 571249558 /nfs/dbraw/zinc/24/95/58/571249558.db2.gz UHQPXNGUDVUZJF-UHFFFAOYSA-N 0 1 408.457 2.902 50 0 HFAAMN COc1cccc(NC(=O)CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)c1 ZINC000009449684 571259898 /nfs/dbraw/zinc/25/98/98/571259898.db2.gz RPUURHNXYFVOEN-UHFFFAOYSA-N 0 1 421.486 2.788 50 0 HFAAMN COc1ccc(-c2c3c(C)nn(-c4ccccc4)c3nc3[nH]c(=O)[nH]c(=O)c32)cc1O ZINC000009577117 571269954 /nfs/dbraw/zinc/26/99/54/571269954.db2.gz YWWYUNIBVAFZCD-UHFFFAOYSA-N 0 1 415.409 2.640 50 0 HFAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCC(C)CC3)cs2)cc1 ZINC000009828621 571286942 /nfs/dbraw/zinc/28/69/42/571286942.db2.gz FTKRLSZXYHSFTQ-UHFFFAOYSA-N 0 1 409.533 2.754 50 0 HFAAMN COC(=O)c1ccc(S(=O)(=O)NCC2CCN(Cc3ccsc3)CC2)cc1 ZINC000077200880 571313129 /nfs/dbraw/zinc/31/31/29/571313129.db2.gz PHJZURZXACRKNN-UHFFFAOYSA-N 0 1 408.545 2.725 50 0 HFAAMN O=S(=O)(NCCc1nnc(-c2ccc(Cl)cc2)[nH]1)c1cccc2nsnc21 ZINC000021942911 571315154 /nfs/dbraw/zinc/31/51/54/571315154.db2.gz SIWOAGJTLKHALH-UHFFFAOYSA-N 0 1 420.907 2.651 50 0 HFAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2cccc(C)c2)CC1 ZINC000004711718 132285403 /nfs/dbraw/zinc/28/54/03/132285403.db2.gz JIEWNGRJQIGOJX-UHFFFAOYSA-N 0 1 411.502 2.941 50 0 HFAAMN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000008791961 132333533 /nfs/dbraw/zinc/33/35/33/132333533.db2.gz RQITUIITBXXSDS-HUUCEWRRSA-N 0 1 403.490 2.798 50 0 biogenic HFAAMN Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1C ZINC000011698007 132350170 /nfs/dbraw/zinc/35/01/70/132350170.db2.gz NMUVAPKXONLGMB-UHFFFAOYSA-N 0 1 424.530 2.743 50 0 HFAAMN CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000012533815 132362081 /nfs/dbraw/zinc/36/20/81/132362081.db2.gz MHVUCBWDGSSFGS-UHFFFAOYSA-N 0 1 423.922 2.664 50 0 HFAAMN CC(C)NC(=O)CN1CCN(C(=O)c2cc(-c3cccc4ccccc43)[nH]n2)CC1 ZINC000044838848 519706786 /nfs/dbraw/zinc/70/67/86/519706786.db2.gz YYWLGAAAPAKWPY-UHFFFAOYSA-N 0 1 405.502 2.512 50 0 HFAAMN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000020574877 521384544 /nfs/dbraw/zinc/38/45/44/521384544.db2.gz PSUUUFFYPBDTAL-UHFFFAOYSA-N 0 1 412.464 2.635 50 0 HFAAMN COCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3ccncc3)CC2)C1=O ZINC000020542610 523802020 /nfs/dbraw/zinc/80/20/20/523802020.db2.gz CXLNJXWDGNSLJN-UHFFFAOYSA-N 0 1 422.529 2.570 50 0 HFAAMN CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccsc2)CC1 ZINC000022766256 523917536 /nfs/dbraw/zinc/91/75/36/523917536.db2.gz OPKCGFKFNWBYLZ-KRWDZBQOSA-N 0 1 424.929 2.584 50 0 HFAAMN Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCNCC2)C2CCCCCC2)cc1C ZINC000045974217 524313396 /nfs/dbraw/zinc/31/33/96/524313396.db2.gz RUMKBXMURJCVHX-UHFFFAOYSA-N 0 1 421.607 2.757 50 0 HFAAMN CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000009620862 535520269 /nfs/dbraw/zinc/52/02/69/535520269.db2.gz DFDLPKNVBABMQE-UHFFFAOYSA-N 0 1 411.531 2.881 50 0 HFAAMN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000012752545 535867383 /nfs/dbraw/zinc/86/73/83/535867383.db2.gz OCASNVWFXOHWCZ-LAUBAEHRSA-N 0 1 409.534 2.617 50 0 HFAAMN COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1Cl ZINC000001121382 557191314 /nfs/dbraw/zinc/19/13/14/557191314.db2.gz QYTBRQHFASLKSQ-UHFFFAOYSA-N 0 1 415.851 2.710 50 0 HFAAMN O=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)N1 ZINC000002163263 557320956 /nfs/dbraw/zinc/32/09/56/557320956.db2.gz AYACGBBLLQMNBG-RZNTYIFUSA-N 0 1 413.238 2.941 50 0 HFAAMN CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)Nc3cc(C)ccc3F)co2)CC1 ZINC000034677329 557365037 /nfs/dbraw/zinc/36/50/37/557365037.db2.gz TVDMXBQGVUUJFA-MRXNPFEDSA-N 0 1 404.486 2.653 50 0 HFAAMN CC(C)[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1 ZINC000034677502 557365245 /nfs/dbraw/zinc/36/52/45/557365245.db2.gz DQOWDTFRRNOULH-GOSISDBHSA-N 0 1 424.904 2.854 50 0 HFAAMN CC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1 ZINC000034677508 557365275 /nfs/dbraw/zinc/36/52/75/557365275.db2.gz JBBYGBVBHVSTBY-AWEZNQCLSA-N 0 1 410.877 2.608 50 0 HFAAMN CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1 ZINC000022766420 557814427 /nfs/dbraw/zinc/81/44/27/557814427.db2.gz ONWHFWFVQNJMOI-HXUWFJFHSA-N 0 1 414.575 2.915 50 0 HFAAMN Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1Cl ZINC000022766401 557814462 /nfs/dbraw/zinc/81/44/62/557814462.db2.gz MLHRQLVNGQPMRB-SFHVURJKSA-N 0 1 420.966 2.753 50 0 HFAAMN Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1Cl ZINC000022766404 557814484 /nfs/dbraw/zinc/81/44/84/557814484.db2.gz MLHRQLVNGQPMRB-GOSISDBHSA-N 0 1 420.966 2.753 50 0 HFAAMN COc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)N2CCN(C)CC2)cc1 ZINC000022795016 557822313 /nfs/dbraw/zinc/82/23/13/557822313.db2.gz AMCZTQRXPBKBNW-FQEVSTJZSA-N 0 1 423.966 2.616 50 0 HFAAMN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000011661105 558265035 /nfs/dbraw/zinc/26/50/35/558265035.db2.gz AAZYLYUJYSHXJE-JOCHJYFZSA-N 0 1 413.562 2.879 50 0 HFAAMN Cc1cc(CN(C)Cc2cnc(S(=O)(=O)C(C)C)n2CCc2ccccc2)n[nH]1 ZINC000011664135 558267517 /nfs/dbraw/zinc/26/75/17/558267517.db2.gz DYXRZSJBQKDHFN-UHFFFAOYSA-N 0 1 415.563 2.971 50 0 HFAAMN CC(C)CS(=O)(=O)c1ncc(CN(C)CCN2CCCC2)n1Cc1ccccc1 ZINC000019791459 558282796 /nfs/dbraw/zinc/28/27/96/558282796.db2.gz SGVLOMYAVYOQLJ-UHFFFAOYSA-N 0 1 418.607 2.889 50 0 HFAAMN Cc1cc(=O)[n-]c(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000019874582 558299954 /nfs/dbraw/zinc/29/99/54/558299954.db2.gz RMHSRQZDQRDHNA-UHFFFAOYSA-N 0 1 402.564 2.696 50 0 HFAAMN COc1ccc(N2C(=O)C[C@@H](N3CCN([C@@H]4CCc5ccccc5C4)CC3)C2=O)cc1 ZINC000019889675 558302781 /nfs/dbraw/zinc/30/27/81/558302781.db2.gz BWNOUZJRXJKPTO-FYYLOGMGSA-N 0 1 419.525 2.502 50 0 HFAAMN O=C1C=C(N2CCC(CCN3CCOCC3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000019890154 558303008 /nfs/dbraw/zinc/30/30/08/558303008.db2.gz IBOXQPUMUVSYRJ-UHFFFAOYSA-N 0 1 403.910 2.531 50 0 HFAAMN COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(F)c1 ZINC000020716052 558401330 /nfs/dbraw/zinc/40/13/30/558401330.db2.gz JMLOYIXDCGQZOK-DOTOQJQBSA-N 0 1 406.483 2.501 50 0 HFAAMN COC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012431453 558405919 /nfs/dbraw/zinc/40/59/19/558405919.db2.gz AJOAAEWXPFJSER-QFIPXVFZSA-N 0 1 423.513 2.903 50 0 HFAAMN COc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)CCCC3)n(C)c(=O)n2C ZINC000021042538 558430465 /nfs/dbraw/zinc/43/04/65/558430465.db2.gz QCUWBENZERHUIR-UHFFFAOYSA-N 0 1 401.488 2.565 50 0 HFAAMN COc1cc(C(C)=O)ccc1OCc1cc(C(=O)NCCN2CCCCC2)no1 ZINC000012594495 558437261 /nfs/dbraw/zinc/43/72/61/558437261.db2.gz RRNUUPVEDJJKRD-UHFFFAOYSA-N 0 1 401.463 2.681 50 0 HFAAMN O=C(CN1CCN(Cc2cccc3ccccc32)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000022799411 558512693 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/nfs/dbraw/zinc/87/85/40/568878540.db2.gz HWPHIYKOZUVGOQ-SFHVURJKSA-N 0 1 411.506 2.696 50 0 biogenic HFAAMN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000003358163 568887173 /nfs/dbraw/zinc/88/71/73/568887173.db2.gz NNUVAAJSTZIBND-UHFFFAOYSA-N 0 1 408.423 2.757 50 0 HFAAMN COc1ccc(-c2cc3n(n2)[C@@H](NCCc2ccc(OC)c(OC)c2)CNC3=O)cc1 ZINC000263619504 568912675 /nfs/dbraw/zinc/91/26/75/568912675.db2.gz YZDBYQKTTXNNSQ-JOCHJYFZSA-N 0 1 422.485 2.650 50 0 HFAAMN CSCC[C@@H]1N[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 ZINC000229661891 568953192 /nfs/dbraw/zinc/95/31/92/568953192.db2.gz YOQDNMMJGUOMEP-KZDUYQQSSA-N 0 1 421.950 2.612 50 0 HFAAMN COc1ccc(C(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[nH]2)cc1 ZINC000004248887 568953990 /nfs/dbraw/zinc/95/39/90/568953990.db2.gz VVQMWBJSUPYMGO-UHFFFAOYSA-N 0 1 410.455 2.588 50 0 HFAAMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008391365 568998327 /nfs/dbraw/zinc/99/83/27/568998327.db2.gz PVUPIHGWJSLIJT-IBGZPJMESA-N 0 1 417.531 2.631 50 0 HFAAMN C[C@@H](CN(CC(=O)N1CCNCC1)C(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000015864124 569016364 /nfs/dbraw/zinc/01/63/64/569016364.db2.gz WLXIHBIGPCIROV-INIZCTEOSA-N 0 1 401.457 2.643 50 0 HFAAMN CC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000026319756 569031302 /nfs/dbraw/zinc/03/13/02/569031302.db2.gz NSDIHALOSSJMPN-UHFFFAOYSA-N 0 1 401.532 2.896 50 0 HFAAMN CC[C@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000035375502 569034029 /nfs/dbraw/zinc/03/40/29/569034029.db2.gz XMNCZZGJRFMWAK-QVFLCRFESA-N 0 1 421.950 2.612 50 0 HFAAMN C[N@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1 ZINC000227058282 569040008 /nfs/dbraw/zinc/04/00/08/569040008.db2.gz GAPJEHCZNLQGOM-MGPUTAFESA-N 0 1 404.898 2.720 50 0 HFAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000245257061 569055616 /nfs/dbraw/zinc/05/56/16/569055616.db2.gz WCEBBFBGKAXAJX-CVFMPKEZSA-N 0 1 423.900 2.695 50 0 HFAAMN COCCN(Cc1cc(OC)cc(OC)c1)C[C@H](O)COc1ccc(OC)cc1 ZINC000036095040 569089682 /nfs/dbraw/zinc/08/96/82/569089682.db2.gz VCMZXVKQGPOQJU-SFHVURJKSA-N 0 1 405.491 2.601 50 0 HFAAMN COc1ccc(-c2nnc(CCNS(=O)(=O)c3ccc4c(c3)CCCC4)[nH]2)cc1 ZINC000064969503 569138053 /nfs/dbraw/zinc/13/80/53/569138053.db2.gz KZZUAZSLNSPICG-UHFFFAOYSA-N 0 1 412.515 2.880 50 0 HFAAMN C[C@@H]1CN(CCCNC(=O)c2nccnc2-c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000036397993 569171169 /nfs/dbraw/zinc/17/11/69/569171169.db2.gz WLMGFDQVJWDJTQ-HUUCEWRRSA-N 0 1 411.531 2.982 50 0 HFAAMN COC(=O)[C@@H](C)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC(F)(F)F ZINC000036575699 569200998 /nfs/dbraw/zinc/20/09/98/569200998.db2.gz IPAVPKRJBGQTJI-MEBBXXQBSA-N 0 1 412.368 2.527 50 0 HFAAMN COc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)[C@H]3CCCC(=O)N3C4)n[nH]2)cc1OC ZINC000524729857 569211900 /nfs/dbraw/zinc/21/19/00/569211900.db2.gz MABVJSKHAKNDCR-SIXWZSSISA-N 0 1 424.501 2.567 50 0 biogenic HFAAMN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1 ZINC000036638506 569214582 /nfs/dbraw/zinc/21/45/82/569214582.db2.gz CAQXBVPFDMWKQB-HXUWFJFHSA-N 0 1 400.454 2.775 50 0 HFAAMN C[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Br)CCN1CC(C)(C)O ZINC000170602686 569243780 /nfs/dbraw/zinc/24/37/80/569243780.db2.gz WROSTYAGENRUKJ-GFCCVEGCSA-N 0 1 419.747 2.785 50 0 HFAAMN c1c(NCCCO[C@H]2CCOC2)nc(NCCCO[C@H]2CCOC2)nc1C1CC1 ZINC000170613124 569246628 /nfs/dbraw/zinc/24/66/28/569246628.db2.gz XMKUAWVQXIKNBN-ROUUACIJSA-N 0 1 406.527 2.569 50 0 HFAAMN O=C(c1nnc2ccccc2c1O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000170625164 569249959 /nfs/dbraw/zinc/24/99/59/569249959.db2.gz CYEWFJBSYURIAM-INIZCTEOSA-N 0 1 414.259 2.899 50 0 HFAAMN CN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nc(-c2cccs2)n[nH]1 ZINC000009954672 569252626 /nfs/dbraw/zinc/25/26/26/569252626.db2.gz QZAXTCIZNGCXIK-GFCCVEGCSA-N 0 1 402.501 2.924 50 0 HFAAMN CC[C@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1OC)C(=O)OC ZINC000253483619 569381668 /nfs/dbraw/zinc/38/16/68/569381668.db2.gz HUGIRZIBRUGHOD-BOFPYLFWSA-N 0 1 400.479 2.663 50 0 HFAAMN Cc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000027757554 569393195 /nfs/dbraw/zinc/39/31/95/569393195.db2.gz ANCIIWJJPMGMIC-YCRPNKLZSA-N 0 1 423.494 2.823 50 0 HFAAMN O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1NC1CCCCCC1 ZINC000013371983 569413095 /nfs/dbraw/zinc/41/30/95/569413095.db2.gz KHWPJRLMIYIFQM-IRXDYDNUSA-N 0 1 405.969 2.592 50 0 HFAAMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000079070820 569426660 /nfs/dbraw/zinc/42/66/60/569426660.db2.gz MOLWWKWDKVDPFH-HXUWFJFHSA-N 0 1 404.488 2.795 50 0 HFAAMN CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000067285873 571064614 /nfs/dbraw/zinc/06/46/14/571064614.db2.gz QWYSSANSESLCSU-HXUWFJFHSA-N 0 1 417.506 2.751 50 0 HFAAMN CCOC(=O)C1C(CN2CCSCC2)=NC(=O)N[C@H]1c1ccc(SC)cc1 ZINC000067286953 571065207 /nfs/dbraw/zinc/06/52/07/571065207.db2.gz NFAOBQMOJFJXOD-KRWDZBQOSA-N 0 1 407.561 2.628 50 0 HFAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3cc(C)ccc3OC)[n-]c(=O)c2C1 ZINC000067291875 571068370 /nfs/dbraw/zinc/06/83/70/571068370.db2.gz LBBYVQIKDHQJDV-UHFFFAOYSA-N 0 1 402.520 2.998 50 0 HFAAMN Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)no1 ZINC000040033784 571141107 /nfs/dbraw/zinc/14/11/07/571141107.db2.gz GJFHZZSVDUJLKL-UHFFFAOYSA-N 0 1 407.474 2.961 50 0 HFAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000040079681 571154908 /nfs/dbraw/zinc/15/49/08/571154908.db2.gz USPZDHBGILRZQR-AWEZNQCLSA-N 0 1 417.859 2.831 50 0 HFAAMN O=C(CN1CCC(C(=O)NCCc2ccccc2F)CC1)N1CCc2ccccc2C1 ZINC000040120645 571176688 /nfs/dbraw/zinc/17/66/88/571176688.db2.gz NINGUJSPXOOLJN-UHFFFAOYSA-N 0 1 423.532 2.781 50 0 HFAAMN CC(NN1CCCC[C@@H]1c1cccnc1)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O ZINC000008995678 571208562 /nfs/dbraw/zinc/20/85/62/571208562.db2.gz IZPXVWQQOKUJLO-MPSQLMGGSA-N 0 1 419.485 2.870 50 0 biogenic HFAAMN COCCCN1C(=O)NC(=O)C(=C2C[C@H](c3ccc(Cl)cc3Cl)NN2)C1=O ZINC000009058784 571217077 /nfs/dbraw/zinc/21/70/77/571217077.db2.gz MLJUQGVIAWODJZ-HUTFPVNGSA-N 0 1 413.261 2.742 50 0 HFAAMN C[C@@H]1Cc2cc(S(=O)(=O)NCCN3CCCC[C@H]3C)ccc2N1C(=O)C1CC1 ZINC000245245967 571220494 /nfs/dbraw/zinc/22/04/94/571220494.db2.gz XQIUOHMVPFMFTB-HZPDHXFCSA-N 0 1 405.564 2.527 50 0 HFAAMN COc1ccc([C@@H](CNC(=O)Cn2cnc3ccccc3c2=O)N2CCCCC2)cc1 ZINC000009578906 571270196 /nfs/dbraw/zinc/27/01/96/571270196.db2.gz IZZGUEKHXBDBCE-JOCHJYFZSA-N 0 1 420.513 2.749 50 0 HFAAMN COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(O)cc3)cs2)cc1 ZINC000013692100 571309360 /nfs/dbraw/zinc/30/93/60/571309360.db2.gz BOBUOGFANODJRO-UHFFFAOYSA-N 0 1 419.484 2.839 50 0 HFAAMN Cc1sc(-n2cnnn2)c(C(=O)Nc2nc(-c3c[nH]c4ccccc43)n[nH]2)c1C ZINC000524733458 571310495 /nfs/dbraw/zinc/31/04/95/571310495.db2.gz SWGADNZVQNWIMY-UHFFFAOYSA-N 0 1 405.447 2.859 50 0 HFAAMN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(c2ncnc3[nH]cnc32)CC1 ZINC000009059808 132335410 /nfs/dbraw/zinc/33/54/10/132335410.db2.gz QLBMYWFUOZXGMJ-CQSZACIVSA-N 0 1 403.490 2.798 50 0 HFAAMN COc1cccc(CNC(=O)[C@@H]2CCCN(c3nc(Cl)nc4[nH]cnc43)C2)c1 ZINC000009421287 132339480 /nfs/dbraw/zinc/33/94/80/132339480.db2.gz BXBCTOPVCULRJJ-CYBMUJFWSA-N 0 1 400.870 2.548 50 0 HFAAMN COc1cccc(CNC(=O)[C@H]2CCCN(c3nc(Cl)nc4[nH]cnc43)C2)c1 ZINC000009421288 132339522 /nfs/dbraw/zinc/33/95/22/132339522.db2.gz BXBCTOPVCULRJJ-ZDUSSCGKSA-N 0 1 400.870 2.548 50 0 HFAAMN COc1ccc(C(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1OC ZINC000011697926 132349973 /nfs/dbraw/zinc/34/99/73/132349973.db2.gz IPSJBXCRVBGYQV-UHFFFAOYSA-N 0 1 420.473 2.595 50 0 HFAAMN Cc1c(Cl)cccc1NC(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000012069462 132353332 /nfs/dbraw/zinc/35/33/32/132353332.db2.gz SQWOSANXWAYQIP-UHFFFAOYSA-N 0 1 414.937 2.915 50 0 HFAAMN Cc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)nc1)C(C)C ZINC000012766958 132366845 /nfs/dbraw/zinc/36/68/45/132366845.db2.gz SIHWTAAILNRDNM-NRFANRHFSA-N 0 1 409.534 2.535 50 0 HFAAMN CC(C)c1ccc(S(=O)(=O)N(CCC(=O)N2CCNCC2)C2CCCCC2)cc1 ZINC000045944693 519838405 /nfs/dbraw/zinc/83/84/05/519838405.db2.gz NWTUZFVXAVGDIL-UHFFFAOYSA-N 0 1 421.607 2.955 50 0 HFAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000020567164 520561993 /nfs/dbraw/zinc/56/19/93/520561993.db2.gz PPUUHCPSRAJZOU-LDNFRZNASA-N 0 1 421.950 2.614 50 0 HFAAMN CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000020548965 520562403 /nfs/dbraw/zinc/56/24/03/520562403.db2.gz YVBFETMUQGQIFV-KGWSRGFLSA-N 0 1 403.910 2.907 50 0 HFAAMN COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2cccc(Cl)c2)cc1 ZINC000045966953 523611827 /nfs/dbraw/zinc/61/18/27/523611827.db2.gz PFOXOMCGWQFBFB-UHFFFAOYSA-N 0 1 415.921 2.813 50 0 HFAAMN C[C@@]1(NC(=O)CSc2nc3cc(Cl)cc(Cl)c3[nH]2)CCS(=O)(=O)C1 ZINC000032691670 525867179 /nfs/dbraw/zinc/86/71/79/525867179.db2.gz HULJJXFYZPBNJK-CQSZACIVSA-N 0 1 408.332 2.655 50 0 HFAAMN O=C(NCCCCN1CCOCC1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000041785179 527650922 /nfs/dbraw/zinc/65/09/22/527650922.db2.gz WYGHZKUQZJGYBA-UHFFFAOYSA-N 0 1 408.713 2.814 50 0 HFAAMN CCN1CCN(c2ccccc2NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 ZINC000005488252 535753793 /nfs/dbraw/zinc/75/37/93/535753793.db2.gz ZUBCASXEIIBZID-UHFFFAOYSA-N 0 1 405.502 2.950 50 0 HFAAMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(I)cc1 ZINC000001049379 557158755 /nfs/dbraw/zinc/15/87/55/557158755.db2.gz MSHKCCOHDGODSM-UHFFFAOYSA-N 0 1 416.240 2.915 50 0 HFAAMN CCC[C@H](O)CN1CCN(Cc2nc(C(=O)Nc3cc(C)ccc3F)co2)CC1 ZINC000034677328 557364832 /nfs/dbraw/zinc/36/48/32/557364832.db2.gz TVDMXBQGVUUJFA-INIZCTEOSA-N 0 1 404.486 2.653 50 0 HFAAMN CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000004662706 557578033 /nfs/dbraw/zinc/57/80/33/557578033.db2.gz PFFGSBIVHXEFOP-UHFFFAOYSA-N 0 1 416.496 2.666 50 0 HFAAMN COc1ccc(NC2=[NH+][C@@H](C(=O)Nc3cc(Cl)ccc3OC)C=C([O-])N2)cc1 ZINC000009190769 557827065 /nfs/dbraw/zinc/82/70/65/557827065.db2.gz OADURVUUNVEPMS-OAHLLOKOSA-N 0 1 402.838 2.652 50 0 HFAAMN COc1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1OC ZINC000004320441 557847889 /nfs/dbraw/zinc/84/78/89/557847889.db2.gz NHLPDMIOJLBBLK-UHFFFAOYSA-N 0 1 420.575 2.979 50 0 HFAAMN C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2n1CCN(Cc1cccnc1)CC2 ZINC000011791093 558277556 /nfs/dbraw/zinc/27/75/56/558277556.db2.gz BHCIYRONLKGULN-AWEZNQCLSA-N 0 1 412.444 2.501 50 0 HFAAMN COc1ccc(CN2CCN(Cc3ccc4nonc4c3)C[C@@H]2CCO)c(C)c1C ZINC000019791324 558282725 /nfs/dbraw/zinc/28/27/25/558282725.db2.gz JXHFFXFFDRRNCZ-FQEVSTJZSA-N 0 1 410.518 2.917 50 0 HFAAMN COc1cccc(CN2CCC[C@@H](NC(=O)CCN3Cc4ccccc4C3=O)C2)c1 ZINC000012022976 558309705 /nfs/dbraw/zinc/30/97/05/558309705.db2.gz GPYFFQRTUYQLQU-HXUWFJFHSA-N 0 1 407.514 2.822 50 0 HFAAMN Cc1c(C(=O)NCCN2CCCCC2)sc2ncnc(NC[C@@H]3CCCO3)c12 ZINC000012038778 558312368 /nfs/dbraw/zinc/31/23/68/558312368.db2.gz NBCCHHNQDHFVGE-HNNXBMFYSA-N 0 1 403.552 2.806 50 0 HFAAMN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CS1)sc1c3[nH]cnc1=NN ZINC000020171418 558343541 /nfs/dbraw/zinc/34/35/41/558343541.db2.gz WXEPKFGEKUTNBZ-UHFFFAOYSA-N 0 1 402.549 2.930 50 0 HFAAMN COc1ncc(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000012226222 558357056 /nfs/dbraw/zinc/35/70/56/558357056.db2.gz LUTPVFSHDXLMKM-NRFANRHFSA-N 0 1 402.445 2.892 50 0 HFAAMN O=C(N[C@H]1CCCCNC1=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012307659 558376170 /nfs/dbraw/zinc/37/61/70/558376170.db2.gz FSFDGWULIOHJGG-QFIPXVFZSA-N 0 1 422.529 2.524 50 0 HFAAMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ncc3c(n2)C[C@H](C)CC3=O)n1 ZINC000012653304 558444300 /nfs/dbraw/zinc/44/43/00/558444300.db2.gz FGHOOMKUUXZOKE-NSHDSACASA-N 0 1 424.486 2.766 50 0 HFAAMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000024375881 558596436 /nfs/dbraw/zinc/59/64/36/558596436.db2.gz BNVPDHQLVYLUAS-UHFFFAOYSA-N 0 1 417.512 2.884 50 0 HFAAMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000013946149 558607295 /nfs/dbraw/zinc/60/72/95/558607295.db2.gz HVYKHKBOAVMVBB-UHFFFAOYSA-N 0 1 417.893 2.896 50 0 HFAAMN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000014234002 558640738 /nfs/dbraw/zinc/64/07/38/558640738.db2.gz JPFSIQOPMIWNRH-CQSZACIVSA-N 0 1 413.231 2.954 50 0 HFAAMN O=S(=O)(c1cccc(CSc2nc(-c3cccs3)n[nH]2)c1)N1CCOCC1 ZINC000014244614 558645893 /nfs/dbraw/zinc/64/58/93/558645893.db2.gz UEWFLUGFXBTZJL-UHFFFAOYSA-N 0 1 422.557 2.846 50 0 HFAAMN C[C@H](CNC(=O)COc1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 ZINC000025942312 558652563 /nfs/dbraw/zinc/65/25/63/558652563.db2.gz CQWZDIOMOAGFRS-GOSISDBHSA-N 0 1 407.514 2.755 50 0 HFAAMN CC(C)C(=O)Nc1ccc2nnc(-c3ccc(C(=O)N4CCCN(C)CC4)cc3)n2c1 ZINC000065209840 558660967 /nfs/dbraw/zinc/66/09/67/558660967.db2.gz HYYAFMDCEKKGFL-UHFFFAOYSA-N 0 1 420.517 2.769 50 0 HFAAMN COc1cccc(CN2CCc3nnc(CCNC(=O)c4ccc(C)cc4)n3CC2)c1 ZINC000014879912 558675773 /nfs/dbraw/zinc/67/57/73/558675773.db2.gz PYNLXSBMQHLKEY-UHFFFAOYSA-N 0 1 419.529 2.626 50 0 HFAAMN Cc1ccc(CNC(=O)[C@@H]2C[C@H](n3cnnn3)CN2CCCc2ccccc2)cc1 ZINC000014955553 558682116 /nfs/dbraw/zinc/68/21/16/558682116.db2.gz FAFKUZMELCSPCM-VXKWHMMOSA-N 0 1 404.518 2.546 50 0 HFAAMN 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568803961 /nfs/dbraw/zinc/80/39/61/568803961.db2.gz GSPGCXVRRZHDMG-UHFFFAOYSA-N 0 1 407.455 2.940 50 0 HFAAMN Cc1cccc(N2CCN(CCCNC(=O)c3nc(-c4cccnc4)no3)[C@H](C)C2)c1 ZINC000029042442 568815666 /nfs/dbraw/zinc/81/56/66/568815666.db2.gz LBCGZHCUSUIQSD-GOSISDBHSA-N 0 1 420.517 2.771 50 0 HFAAMN CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1N1CCN(Cc2ccccc2)CC1 ZINC000056939977 568821304 /nfs/dbraw/zinc/82/13/04/568821304.db2.gz INRCMPORBGRNJP-UHFFFAOYSA-N 0 1 418.497 2.731 50 0 HFAAMN CC(C)[C@@H](NCC(=O)Nc1sccc1C(N)=O)c1ccc2c(c1)OCCCO2 ZINC000057383287 568830748 /nfs/dbraw/zinc/83/07/48/568830748.db2.gz MJUNMWNVDJLSMT-GOSISDBHSA-N 0 1 403.504 2.934 50 0 HFAAMN CCOc1ccc([C@@H]2NC(=O)NC(CN(C)Cc3ccccc3)=C2C(=O)OC)cc1 ZINC000057415323 568833666 /nfs/dbraw/zinc/83/36/66/568833666.db2.gz BZBLISIJEGWCKW-NRFANRHFSA-N 0 1 409.486 2.998 50 0 HFAAMN NC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1 ZINC000012605359 568871028 /nfs/dbraw/zinc/87/10/28/568871028.db2.gz RQAUMDLTABVICM-UHFFFAOYSA-N 0 1 410.377 2.791 50 0 HFAAMN O=S(=O)(NCCN1CCCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000052827113 568907537 /nfs/dbraw/zinc/90/75/37/568907537.db2.gz WDBOHXJJLCEDKR-UHFFFAOYSA-N 0 1 407.967 2.826 50 0 HFAAMN O=C1CCSc2ccc(S(=O)(=O)NCc3n[nH]c4c3CCCCC4)cc2N1 ZINC000670448116 568918885 /nfs/dbraw/zinc/91/88/85/568918885.db2.gz GOLLIDKSPNDFCA-UHFFFAOYSA-N 0 1 406.533 2.591 50 0 HFAAMN COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)n[nH]2)c1 ZINC000015680746 568967517 /nfs/dbraw/zinc/96/75/17/568967517.db2.gz QMINXPGFKZPQBS-UHFFFAOYSA-N 0 1 420.469 2.692 50 0 HFAAMN CCOC(=O)C1C(COC(=O)c2cc(Cl)ccn2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000008187003 568980690 /nfs/dbraw/zinc/98/06/90/568980690.db2.gz QAGUNYLGNXGQEG-QGZVFWFLSA-N 0 1 415.833 2.763 50 0 HFAAMN Cc1cc(C)c(S(=O)(=O)NCCNc2ccc(Nc3ccncc3)nn2)c(C)c1 ZINC000011697865 568986443 /nfs/dbraw/zinc/98/64/43/568986443.db2.gz AQSIAFAAFUVTSB-UHFFFAOYSA-N 0 1 412.519 2.931 50 0 HFAAMN CCOC(=O)C1C(COC(=O)CC2CCCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000008278466 568987136 /nfs/dbraw/zinc/98/71/36/568987136.db2.gz MWALHLBMPBDZRM-FQEVSTJZSA-N 0 1 416.474 2.990 50 0 HFAAMN COC(=O)c1ccc(CN2CCN(Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000104340806 569008283 /nfs/dbraw/zinc/00/82/83/569008283.db2.gz KGBKEFYMBUMWCI-JOCHJYFZSA-N 0 1 412.530 2.859 50 0 HFAAMN COc1ccc(CN2CCN(Cc3ccc4nonc4c3)C[C@H]2CCO)c(C)c1C ZINC000104459787 569008683 /nfs/dbraw/zinc/00/86/83/569008683.db2.gz JXHFFXFFDRRNCZ-HXUWFJFHSA-N 0 1 410.518 2.917 50 0 HFAAMN O=C(CN(CCc1ccccc1)C(=O)c1ccc(F)c(Cl)c1)N1CCNCC1 ZINC000015864078 569016345 /nfs/dbraw/zinc/01/63/45/569016345.db2.gz IYSOZFJWRYLJSL-UHFFFAOYSA-N 0 1 403.885 2.596 50 0 HFAAMN O=C(CN(Cc1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1)N1CCNCC1 ZINC000015864119 569016381 /nfs/dbraw/zinc/01/63/81/569016381.db2.gz NFDHFHXWZPDONY-UHFFFAOYSA-N 0 1 423.410 2.919 50 0 HFAAMN C[C@@H](NCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc2c(c1)CCCC2 ZINC000012895760 569020294 /nfs/dbraw/zinc/02/02/94/569020294.db2.gz YRQWNDKKUBZZMB-IOXSGPKDSA-N 0 1 412.534 2.748 50 0 HFAAMN COc1ccc(CNC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 ZINC000012910510 569021483 /nfs/dbraw/zinc/02/14/83/569021483.db2.gz QSXSRYIHRJDMBC-MRXNPFEDSA-N 0 1 411.502 2.756 50 0 HFAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3NC2=O)[C@@H]2C(=O)N(c3ccccc3C)C(=O)[C@@H]21 ZINC000016032753 569027961 /nfs/dbraw/zinc/02/79/61/569027961.db2.gz LOIJDOPVJYLUIV-FAODYONGSA-N 0 1 421.522 2.673 50 0 biogenic HFAAMN Cc1ccc(CCNC(=O)CC[C@H]2N=C3c4ccccc4NC(=S)N3C2=O)cc1 ZINC000006204430 569032780 /nfs/dbraw/zinc/03/27/80/569032780.db2.gz GAXHSYCXCLFYMW-GOSISDBHSA-N 0 1 406.511 2.802 50 0 HFAAMN COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCO3)N(C)C)cc1Cl ZINC000090607293 569041925 /nfs/dbraw/zinc/04/19/25/569041925.db2.gz ZLQPODSUZZMCDD-QGZVFWFLSA-N 0 1 417.893 2.641 50 0 HFAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2CCCN21 ZINC000248335441 569057663 /nfs/dbraw/zinc/05/76/63/569057663.db2.gz MWHGJMCVJKVUHD-LYXWCMDISA-N 0 1 419.456 2.874 50 0 HFAAMN COCCNC(=O)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035869944 569063916 /nfs/dbraw/zinc/06/39/16/569063916.db2.gz CLCKCIAJLHHRPT-IFMALSPDSA-N 0 1 413.949 2.966 50 0 HFAAMN CSc1ccc([C@@H]2CC(c3c(O)cc(C)oc3=O)=Nc3c(C(N)=O)cnn32)cc1 ZINC000006662674 569085744 /nfs/dbraw/zinc/08/57/44/569085744.db2.gz QRPMDEYGWDUARI-HNNXBMFYSA-N 0 1 410.455 2.785 50 0 HFAAMN CSc1ccc([C@H]2CC(c3c(O)cc(C)oc3=O)=Nc3c(C(N)=O)cnn32)cc1 ZINC000006662675 569085770 /nfs/dbraw/zinc/08/57/70/569085770.db2.gz QRPMDEYGWDUARI-OAHLLOKOSA-N 0 1 410.455 2.785 50 0 HFAAMN COCCNC(=O)[C@@H]1Cc2ccccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169679988 569126687 /nfs/dbraw/zinc/12/66/87/569126687.db2.gz CLCKCIAJLHHRPT-IRLDBZIGSA-N 0 1 413.949 2.966 50 0 HFAAMN Cc1cc(C)c(S(=O)(=O)NCCc2n[nH]c(Cc3cccc(F)c3)n2)c(C)c1 ZINC000064969734 569138621 /nfs/dbraw/zinc/13/86/21/569138621.db2.gz RQXVQGKSNFHAFK-UHFFFAOYSA-N 0 1 402.495 2.981 50 0 HFAAMN COc1ccc(S(=O)(=O)NCCc2n[nH]c(Cc3cccc(F)c3)n2)cc1Cl ZINC000064969783 569138640 /nfs/dbraw/zinc/13/86/40/569138640.db2.gz ZUCWPEHHSTZWLD-UHFFFAOYSA-N 0 1 424.885 2.718 50 0 HFAAMN CCN1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2cccn2C)CC1 ZINC000036341905 569142146 /nfs/dbraw/zinc/14/21/46/569142146.db2.gz QCIKCKPQCXPETP-HSZRJFAPSA-N 0 1 407.562 2.957 50 0 HFAAMN C[C@H]1Cc2cc(S(=O)(=O)NCCN3CCCC[C@@H]3C)ccc2N1C(=O)C1CC1 ZINC000006866832 569158946 /nfs/dbraw/zinc/15/89/46/569158946.db2.gz XQIUOHMVPFMFTB-HOTGVXAUSA-N 0 1 405.564 2.527 50 0 HFAAMN CCCN1CCN(C(=O)[C@@H]2CCCN(c3nnc4ccc(C(F)(F)F)cn43)C2)CC1 ZINC000065313008 569222353 /nfs/dbraw/zinc/22/23/53/569222353.db2.gz JXOWEPHMPFHJAC-OAHLLOKOSA-N 0 1 424.471 2.519 50 0 HFAAMN CS(=O)(=O)c1ccc([C@@H](O)CN2CCC[C@@H]2CN2CCc3ccccc32)cc1 ZINC000065539740 569234671 /nfs/dbraw/zinc/23/46/71/569234671.db2.gz PPCWEIHRWDYWNC-KNQAVFIVSA-N 0 1 400.544 2.651 50 0 HFAAMN COCCOC(=O)c1sc2[nH]c([C@H]3COc4ccccc4O3)nc(=O)c2c1C ZINC000170616535 569247447 /nfs/dbraw/zinc/24/74/47/569247447.db2.gz OMVRHWMZYLWXKC-CYBMUJFWSA-N 0 1 402.428 2.609 50 0 HFAAMN Cc1cc2oc(=O)cc(CN3CCC[C@H](C(=O)N4CCOCC4)C3)c2cc1Cl ZINC000014333862 569259577 /nfs/dbraw/zinc/25/95/77/569259577.db2.gz SMBXVLUULIAVSK-HNNXBMFYSA-N 0 1 404.894 2.826 50 0 HFAAMN COCCN1[C@H](C)CN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)C[C@@H]1C ZINC000089930213 569268901 /nfs/dbraw/zinc/26/89/01/569268901.db2.gz XDUSODMSYBEUJD-CALCHBBNSA-N 0 1 401.507 2.850 50 0 HFAAMN Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)n1 ZINC000017012419 569271513 /nfs/dbraw/zinc/27/15/13/569271513.db2.gz XJYJRHUBRJLAFW-UHFFFAOYSA-N 0 1 417.513 2.737 50 0 HFAAMN NC(=O)c1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000006681488 569279998 /nfs/dbraw/zinc/27/99/98/569279998.db2.gz HGVMCIHLHUXWJO-UHFFFAOYSA-N 0 1 401.469 2.900 50 0 HFAAMN Cc1noc(CN2CCC(N3CCN(c4cc(C(F)(F)F)ccn4)CC3)CC2)n1 ZINC000252478297 569288688 /nfs/dbraw/zinc/28/86/88/569288688.db2.gz AIXPOEVFJLBXOJ-UHFFFAOYSA-N 0 1 410.444 2.578 50 0 HFAAMN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000252549966 569294186 /nfs/dbraw/zinc/29/41/86/569294186.db2.gz RYAGRORJRNCXMB-JKIFEVAISA-N 0 1 406.556 2.592 50 0 HFAAMN O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000252549966 569294187 /nfs/dbraw/zinc/29/41/87/569294187.db2.gz RYAGRORJRNCXMB-JKIFEVAISA-N 0 1 406.556 2.592 50 0 HFAAMN COc1ccc([C@@H](CC(=O)NC(C)C)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000253412869 569366788 /nfs/dbraw/zinc/36/67/88/569366788.db2.gz SIEYBPSSPKBDFI-CQSZACIVSA-N 0 1 405.447 2.726 50 0 biogenic HFAAMN Cn1nccc1C(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055282106 569398366 /nfs/dbraw/zinc/39/83/66/569398366.db2.gz AOYIDDZUHJFTQH-SFHVURJKSA-N 0 1 421.467 2.866 50 0 HFAAMN CCC[N@H+]1CCc2nc(SCC(=O)Nc3cc(OC)cc(OC)c3)[n-]c(=O)c2C1 ZINC000067291790 571068170 /nfs/dbraw/zinc/06/81/70/571068170.db2.gz LDLXFPMKETZJHE-UHFFFAOYSA-N 0 1 418.519 2.698 50 0 HFAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCCC[C@@H]43)C2=O)cc1 ZINC000008694581 571102235 /nfs/dbraw/zinc/10/22/35/571102235.db2.gz VFSPTJATRPQFKQ-AUSIDOKSSA-N 0 1 405.454 2.880 50 0 HFAAMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n1 ZINC000040074749 571154618 /nfs/dbraw/zinc/15/46/18/571154618.db2.gz PJZUEZWEDWTDFJ-UHFFFAOYSA-N 0 1 413.503 2.854 50 0 HFAAMN Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000009109894 571222296 /nfs/dbraw/zinc/22/22/96/571222296.db2.gz QAJZBSFVLUGAKL-ZHSNQQFMSA-N 0 1 405.429 2.565 50 0 HFAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3)c1 ZINC000009168607 571233112 /nfs/dbraw/zinc/23/31/12/571233112.db2.gz GDMRHMAMWCJIMO-UHFFFAOYSA-N 0 1 406.460 2.862 50 0 HFAAMN CN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1O ZINC000009358196 571251436 /nfs/dbraw/zinc/25/14/36/571251436.db2.gz GUTQLDFUWACKKM-LJQANCHMSA-N 0 1 422.872 2.943 50 0 biogenic HFAAMN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000009378646 571253446 /nfs/dbraw/zinc/25/34/46/571253446.db2.gz GMOHMTRISPOPRS-UHFFFAOYSA-N 0 1 418.500 2.928 50 0 HFAAMN Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cccc(C)c3)[nH]c2=O)cc1 ZINC000009518126 571265521 /nfs/dbraw/zinc/26/55/21/571265521.db2.gz YDJOPLCHJZMUSN-UHFFFAOYSA-N 0 1 423.498 2.952 50 0 HFAAMN COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CN2CCCCCC2)cc1=O ZINC000009622096 571274301 /nfs/dbraw/zinc/27/43/01/571274301.db2.gz BCVQHKGMOCUDSO-UHFFFAOYSA-N 0 1 413.474 2.600 50 0 HFAAMN COC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2cn(C)c3ccccc23)N(C)C)cc1 ZINC000077201000 571313297 /nfs/dbraw/zinc/31/32/97/571313297.db2.gz ZRADHNRCWXEJHQ-FQEVSTJZSA-N 0 1 415.515 2.546 50 0 HFAAMN CCCNC(=O)[C@H]1CCCN(c2ncccc2NS(=O)(=O)c2ccccc2C)C1 ZINC000033303078 571316108 /nfs/dbraw/zinc/31/61/08/571316108.db2.gz PXERSDJGBDYJGF-KRWDZBQOSA-N 0 1 416.547 2.933 50 0 HFAAMN Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 ZINC000008694621 132332135 /nfs/dbraw/zinc/33/21/35/132332135.db2.gz CZFOYYLZIKOPQH-XMSQKQJNSA-N 0 1 407.495 2.742 50 0 HFAAMN Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)ccc1N1CCN(C)CC1 ZINC000012592250 132364750 /nfs/dbraw/zinc/36/47/50/132364750.db2.gz ZFLPBNPFKZDRSC-SFHVURJKSA-N 0 1 410.518 2.831 50 0 HFAAMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)N1CCN(c2ccccn2)CC1 ZINC000012819332 132367620 /nfs/dbraw/zinc/36/76/20/132367620.db2.gz XLNDBOWKHBPEFS-UHFFFAOYSA-N 0 1 400.552 2.763 50 0 HFAAMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)N1CCN(c2ccccn2)CC1 ZINC000012819332 132367621 /nfs/dbraw/zinc/36/76/21/132367621.db2.gz XLNDBOWKHBPEFS-UHFFFAOYSA-N 0 1 400.552 2.763 50 0 HFAAMN CC(C)C(=O)Nc1ccc2c(c1)nc(CN1C[C@H]3C[C@@H](C1)c1cccc(=O)n1C3)n2C ZINC000032124534 519524329 /nfs/dbraw/zinc/52/43/29/519524329.db2.gz FDEULQPEKQFAPN-SJORKVTESA-N 0 1 419.529 2.949 50 0 biogenic HFAAMN CN(C)[C@H](CNC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccs1 ZINC000043948661 522078357 /nfs/dbraw/zinc/07/83/57/522078357.db2.gz WQTSGYWJCZZGCG-MRXNPFEDSA-N 0 1 408.549 2.712 50 0 HFAAMN COc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCN(C)CC3)C2)c2ccccc12 ZINC000032784223 523640222 /nfs/dbraw/zinc/64/02/22/523640222.db2.gz KYKPSZHIKGJHST-SFHVURJKSA-N 0 1 409.530 2.865 50 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