smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1ccccc1N1CCOCC1 ZINC000012114677 132354248 /nfs/dbraw/zinc/35/42/48/132354248.db2.gz OKCTVKZBRSKGEV-UHFFFAOYSA-N 0 1 420.517 2.544 40 0 HFABMN COc1ccc2c(c1)C=C(CN1CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C1)CO2 ZINC000012185153 132356165 /nfs/dbraw/zinc/35/61/65/132356165.db2.gz FUUHYYVGNZRROZ-MRXNPFEDSA-N 0 1 422.529 2.849 40 0 HFABMN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000006949878 537130477 /nfs/dbraw/zinc/13/04/77/537130477.db2.gz ZTUSYYJJSWAXFE-UHFFFAOYSA-N 0 1 414.531 2.582 40 0 HFABMN COc1ccc2c3c1O[C@H]1[C@@]34CCN(C)[C@@H](C2)[C@@]42CC[C@]1(OC)c1c(O)ccc(O)c12 ZINC000004962187 557617490 /nfs/dbraw/zinc/61/74/90/557617490.db2.gz YZNGNRIKFYLUTN-LSBQCCANSA-N 0 1 421.493 2.953 40 0 HFABMN Cc1nn(C)cc1CN1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1 ZINC000019741297 558262085 /nfs/dbraw/zinc/26/20/85/558262085.db2.gz KMRZDWFIJLZRNO-GOSISDBHSA-N 0 1 408.550 2.896 40 0 HFABMN Cc1nc([C@H]2CCCN(CCO)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741640 558262268 /nfs/dbraw/zinc/26/22/68/558262268.db2.gz CDZXKRZKFMYYDG-FQEVSTJZSA-N 0 1 408.546 2.869 40 0 HFABMN Cc1nc([C@H]2CCCCN2C(=O)c2ccn[nH]2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764400 558277883 /nfs/dbraw/zinc/27/78/83/558277883.db2.gz PHXBWLKTOVDOJU-LJQANCHMSA-N 0 1 422.464 2.945 40 0 HFABMN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c(F)c1 ZINC000012181028 558342732 /nfs/dbraw/zinc/34/27/32/558342732.db2.gz AILMATPYZXGZQK-XVQYUUQNSA-N 0 1 417.481 2.761 40 0 HFABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000020454482 558368381 /nfs/dbraw/zinc/36/83/81/558368381.db2.gz ZKQFYSYFHLESKB-UHFFFAOYSA-N 0 1 410.517 2.589 40 0 HFABMN COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2ccnn2C)c1 ZINC000036743742 558802533 /nfs/dbraw/zinc/80/25/33/558802533.db2.gz KUSWNVFZKMHWHC-LEWJYISDSA-N 0 1 420.513 2.835 40 0 HFABMN Cc1cccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000019234637 558854009 /nfs/dbraw/zinc/85/40/09/558854009.db2.gz PEURAWYEGXJKRI-ROUUACIJSA-N 0 1 424.545 2.916 40 0 HFABMN COc1ccc(CC(=O)NC2CCN(Cc3cc(-c4ccccn4)nn3C)CC2)cc1 ZINC000019288957 558861766 /nfs/dbraw/zinc/86/17/66/558861766.db2.gz CSMFTYIMSUBDBK-UHFFFAOYSA-N 0 1 419.529 2.814 40 0 HFABMN COc1ccccc1-c1ccccc1C[C@@H]1CN(Cc2cnn(C)c2)CCNC1=O ZINC000019290704 558863010 /nfs/dbraw/zinc/86/30/10/558863010.db2.gz MBFZAJMCLPMTIM-HXUWFJFHSA-N 0 1 404.514 2.886 40 0 HFABMN O=C(CCN1CCN(c2ccccn2)CC1)N1CCC(Oc2ccccc2F)CC1 ZINC000019350127 558875549 /nfs/dbraw/zinc/87/55/49/558875549.db2.gz XOADYNMZEMPSQL-UHFFFAOYSA-N 0 1 412.509 2.803 40 0 HFABMN O=C(CCn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019406115 558885181 /nfs/dbraw/zinc/88/51/81/558885181.db2.gz IPLGQSSSQVAVMV-FQEVSTJZSA-N 0 1 424.549 2.823 40 0 HFABMN C[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000019497287 558896189 /nfs/dbraw/zinc/89/61/89/558896189.db2.gz BDKIKSYPYQHEJN-IYBDPMFKSA-N 0 1 402.539 2.945 40 0 HFABMN COc1cc2c(cc1CN1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)OCCO2 ZINC000019550619 558915192 /nfs/dbraw/zinc/91/51/92/558915192.db2.gz RIHXCBWMKMKMDO-MHECFPHRSA-N 0 1 423.513 2.890 40 0 HFABMN CCCn1ncc(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000072338944 558938404 /nfs/dbraw/zinc/93/84/04/558938404.db2.gz RFMPGYOMTLBEOK-HXUWFJFHSA-N 0 1 403.552 2.544 40 0 HFABMN CC(=O)NCc1cnc([C@H]2CCCN2C2CCN(C(C)=O)CC2)cc1C(F)(F)F ZINC000072356212 558953087 /nfs/dbraw/zinc/95/30/87/558953087.db2.gz JAFVYJYPOHOMBT-LJQANCHMSA-N 0 1 412.456 2.884 40 0 HFABMN CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000072371327 558957973 /nfs/dbraw/zinc/95/79/73/558957973.db2.gz HGJVHCPMSUXEEP-HNNXBMFYSA-N 0 1 410.515 2.546 40 0 HFABMN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373063 558960802 /nfs/dbraw/zinc/96/08/02/558960802.db2.gz CFNKKKRZSVULGS-QRVBRYPASA-N 0 1 400.567 2.654 40 0 HFABMN O=C(c1cc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380604 558968532 /nfs/dbraw/zinc/96/85/32/558968532.db2.gz CAEKCHDJDDXYDW-HNNXBMFYSA-N 0 1 402.882 2.555 40 0 HFABMN O=C(c1cc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380605 558968583 /nfs/dbraw/zinc/96/85/83/558968583.db2.gz CAEKCHDJDDXYDW-OAHLLOKOSA-N 0 1 402.882 2.555 40 0 HFABMN C[C@@H]1CCCN(C(=O)CN2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000257367375 559017889 /nfs/dbraw/zinc/01/78/89/559017889.db2.gz BSYPWKCGXZDDHV-CEXWTWQISA-N 0 1 400.567 2.796 40 0 HFABMN CN(Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2 ZINC000585105097 559027512 /nfs/dbraw/zinc/02/75/12/559027512.db2.gz XYJPUWQDRKLHSJ-JOCHJYFZSA-N 0 1 409.530 2.859 40 0 HFABMN CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccc(C)o1)CC2 ZINC000096036937 559090804 /nfs/dbraw/zinc/09/08/04/559090804.db2.gz SOHUGSQZAFFMPJ-UHFFFAOYSA-N 0 1 408.506 2.538 40 0 HFABMN CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCc4ccccc4)CC3)C2=O)cc1 ZINC000102405606 559150117 /nfs/dbraw/zinc/15/01/17/559150117.db2.gz JNAXSYBBBVBTMV-HSZRJFAPSA-N 0 1 421.541 2.968 40 0 HFABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000008477168 560562088 /nfs/dbraw/zinc/56/20/88/560562088.db2.gz HPABJJXFUACMTI-WZUFQYTHSA-N 0 1 407.220 2.582 40 0 HFABMN O=C([O-])C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1 ZINC000009926967 560760674 /nfs/dbraw/zinc/76/06/74/560760674.db2.gz NPBDOZWKIYOBCP-CYBMUJFWSA-N 0 1 404.772 2.787 40 0 HFABMN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4nsnc4c3)cc2)CC1 ZINC000021595220 568467472 /nfs/dbraw/zinc/46/74/72/568467472.db2.gz USIMPCWYWNQDDM-UHFFFAOYSA-N 0 1 412.544 2.570 40 0 HFABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)s1 ZINC000222922967 568531053 /nfs/dbraw/zinc/53/10/53/568531053.db2.gz ZIUIMXVFUCNAII-MRXNPFEDSA-N 0 1 402.501 2.873 40 0 HFABMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000223388981 568547280 /nfs/dbraw/zinc/54/72/80/568547280.db2.gz ORABXWUIHLNJNO-UHFFFAOYSA-N 0 1 407.444 2.686 40 0 HFABMN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223668690 568555614 /nfs/dbraw/zinc/55/56/14/568555614.db2.gz MIYKHCUQYZQREY-UHFFFAOYSA-N 0 1 404.488 2.959 40 0 HFABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000223791805 568559225 /nfs/dbraw/zinc/55/92/25/568559225.db2.gz IMSBTCBSCNSBLS-UHFFFAOYSA-N 0 1 406.464 2.716 40 0 HFABMN CCOc1ccc([C@H](N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OC ZINC000095534228 568635274 /nfs/dbraw/zinc/63/52/74/568635274.db2.gz CLQHPWIWAAAZGP-SFHVURJKSA-N 0 1 414.462 2.953 40 0 HFABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000225605716 568656342 /nfs/dbraw/zinc/65/63/42/568656342.db2.gz SIEZWNANHHMYFK-UHFFFAOYSA-N 0 1 416.496 2.630 40 0 HFABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(F)cc2)s1 ZINC000225797077 568675385 /nfs/dbraw/zinc/67/53/85/568675385.db2.gz SQGMCBNELRLNNE-UHFFFAOYSA-N 0 1 406.464 2.716 40 0 HFABMN COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1N1C(=O)CCC1=O ZINC000225867022 568681949 /nfs/dbraw/zinc/68/19/49/568681949.db2.gz WDRRADUFPNNWIQ-UHFFFAOYSA-N 0 1 418.471 2.937 40 0 HFABMN CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(CC(=O)N4CCOCC4)CC3)C[C@@H]21 ZINC000257203863 568777079 /nfs/dbraw/zinc/77/70/79/568777079.db2.gz ARZGFRZHIUPMND-SIKLNZKXSA-N 0 1 414.546 2.876 40 0 HFABMN Cc1nc([C@@H]2CCN(C(=O)c3ccn[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000257263728 568793844 /nfs/dbraw/zinc/79/38/44/568793844.db2.gz LRDUWXYTSWMGLR-QGZVFWFLSA-N 0 1 422.533 2.997 40 0 HFABMN COCCN1C(=O)Cc2c1nc([C@]1(C)CCCN(Cc3scnc3C)C1)nc2C ZINC000257289030 568801332 /nfs/dbraw/zinc/80/13/32/568801332.db2.gz PWRKIVKWQQAKFP-OAQYLSRUSA-N 0 1 415.563 2.639 40 0 HFABMN CC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)O[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000306125070 568887841 /nfs/dbraw/zinc/88/78/41/568887841.db2.gz CGEHQONXOYPJSU-GMAHTHKFSA-N 0 1 411.477 2.656 40 0 HFABMN COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)c4ccccc4)CC[C@@H]3N2C)cc1 ZINC000306138737 568900683 /nfs/dbraw/zinc/90/06/83/568900683.db2.gz SGDSZNHKTIAZHD-HJNYFJLDSA-N 0 1 407.514 2.546 40 0 HFABMN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306144045 568905386 /nfs/dbraw/zinc/90/53/86/568905386.db2.gz YUIXZJRWCDQNIP-NOZRDPDXSA-N 0 1 414.509 2.874 40 0 HFABMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(C[C@H](O)c2cccs2)CC1 ZINC000049031213 569048245 /nfs/dbraw/zinc/04/82/45/569048245.db2.gz LCOLSEMYHNKGAR-SFHVURJKSA-N 0 1 400.479 2.769 40 0 HFABMN O=C([C@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014809 569345214 /nfs/dbraw/zinc/34/52/14/569345214.db2.gz BEXGEKOKCRXIII-PXNSSMCTSA-N 0 1 414.550 2.821 40 0 HFABMN O=C([C@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014809 569345215 /nfs/dbraw/zinc/34/52/15/569345215.db2.gz BEXGEKOKCRXIII-PXNSSMCTSA-N 0 1 414.550 2.821 40 0 HFABMN CNc1cc(CN(C)C)nc([C@@H]2CCCN2C(=O)CCc2ccc(N(C)C)cc2)n1 ZINC000019760550 569348920 /nfs/dbraw/zinc/34/89/20/569348920.db2.gz WUTOOTYQNYQICH-FQEVSTJZSA-N 0 1 410.566 2.942 40 0 HFABMN Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000009109893 569391562 /nfs/dbraw/zinc/39/15/62/569391562.db2.gz QAJZBSFVLUGAKL-YTSMVRMISA-N 0 1 405.429 2.565 40 0 HFABMN CS(=O)(=O)c1ccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000096112237 291226130 /nfs/dbraw/zinc/22/61/30/291226130.db2.gz CBSVLFDVTHSIKX-APWZRJJASA-N 0 1 421.469 2.845 40 0 biogenic,in-vitro HFABMN COc1ccc(CNC(=O)[C@@H]2Cc3nc[nH]c3CN2C(=O)NC2CCCCC2)cc1 ZINC000012530157 291225166 /nfs/dbraw/zinc/22/51/66/291225166.db2.gz RTCCMJPKOGXOOR-FQEVSTJZSA-N 0 1 411.506 2.504 40 0 biogenic,in-vitro HFABMN CCCCCC(=O)NC(=S)Nc1cc(C(=O)OC)ccc1N1CCN(C)CC1 ZINC000408571441 557469074 /nfs/dbraw/zinc/46/90/74/557469074.db2.gz BESDEZMCUSMZEX-UHFFFAOYSA-N 0 1 406.552 2.618 40 0 HFABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1I ZINC000008477506 557792982 /nfs/dbraw/zinc/79/29/82/557792982.db2.gz JAAWLBLLFXJJQV-FMIVXFBMSA-N 0 1 410.211 2.696 40 0 HFABMN 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 ZINC000009044200 557820342 /nfs/dbraw/zinc/82/03/42/557820342.db2.gz YOQDNMMJGUOMEP-VPCSNGCSSA-N 0 1 421.950 2.612 40 0 HFABMN CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1OC)C(=O)OC ZINC000036601909 557849414 /nfs/dbraw/zinc/84/94/14/557849414.db2.gz HUGIRZIBRUGHOD-XVSDVWIESA-N 0 1 400.479 2.663 40 0 HFABMN COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)CN(C)C)nc1C ZINC000019753429 558272775 /nfs/dbraw/zinc/27/27/75/558272775.db2.gz FIDONUKWYSJZNA-GOSISDBHSA-N 0 1 411.506 2.661 40 0 HFABMN Cc1nc([C@H]2CCCN(Cc3cnn(C)c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763524 558277454 /nfs/dbraw/zinc/27/74/54/558277454.db2.gz KKHDNSAALMNRDR-FQEVSTJZSA-N 0 1 404.518 2.828 40 0 HFABMN CCCc1cc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)n[nH]1 ZINC000012126658 558331386 /nfs/dbraw/zinc/33/13/86/558331386.db2.gz BNWGJSZSGBPDDS-NSHDSACASA-N 0 1 407.400 2.839 40 0 HFABMN COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000038756521 558814804 /nfs/dbraw/zinc/81/48/04/558814804.db2.gz HPDODXLNKBAVSA-UHFFFAOYSA-N 0 1 413.455 2.909 40 0 HFABMN Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)n1 ZINC000019290946 558863367 /nfs/dbraw/zinc/86/33/67/558863367.db2.gz MVTUHLUFEMJKBQ-FQEVSTJZSA-N 0 1 424.549 2.562 40 0 HFABMN Cn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)n1 ZINC000019290946 558863369 /nfs/dbraw/zinc/86/33/69/558863369.db2.gz MVTUHLUFEMJKBQ-FQEVSTJZSA-N 0 1 424.549 2.562 40 0 HFABMN O=c1cc([C@H]2CCCCN2Cc2ccc(OCCO)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340878 558871619 /nfs/dbraw/zinc/87/16/19/558871619.db2.gz BZZPQXBSEADVJY-OAQYLSRUSA-N 0 1 406.486 2.930 40 0 HFABMN CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5cccnc5)CC4)[n-]n3c(=O)c2C1 ZINC000019448155 558886907 /nfs/dbraw/zinc/88/69/07/558886907.db2.gz JSLYUYRLROWBOE-UHFFFAOYSA-N 0 1 420.517 2.616 40 0 HFABMN CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 ZINC000019500328 558898560 /nfs/dbraw/zinc/89/85/60/558898560.db2.gz ODPQHJQJVVFFHO-QGZVFWFLSA-N 0 1 401.580 2.880 40 0 HFABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2ccc(CN3CCOCC3)o2)cc1 ZINC000019553997 558917010 /nfs/dbraw/zinc/91/70/10/558917010.db2.gz YPIWDZXQSNSTNT-JOCHJYFZSA-N 0 1 422.485 2.631 40 0 HFABMN COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)C4CCC4)C3)[nH]c(=O)c2C1 ZINC000019570572 558929412 /nfs/dbraw/zinc/92/94/12/558929412.db2.gz QNQQOQOKVOAIHW-GOSISDBHSA-N 0 1 422.529 2.865 40 0 HFABMN Cc1nc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c2ccccn12 ZINC000072338955 558938398 /nfs/dbraw/zinc/93/83/98/558938398.db2.gz HXAMOFNDRLVJTO-NRFANRHFSA-N 0 1 411.531 2.585 40 0 HFABMN CN(C(=O)c1cn[nH]c1-c1ccc(CNC(=O)Cn2cccn2)cc1)c1ccccc1 ZINC000019586774 558939619 /nfs/dbraw/zinc/93/96/19/558939619.db2.gz FBKCVRZFRSNHQJ-UHFFFAOYSA-N 0 1 414.469 2.866 40 0 HFABMN O=C(c1cn[nH]c1[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)N1CCCC1 ZINC000072344756 558941155 /nfs/dbraw/zinc/94/11/55/558941155.db2.gz MBFZSHNWOFYARX-DYESRHJHSA-N 0 1 408.502 2.666 40 0 HFABMN Cc1nc([C@@H]2CCN(C(=O)CN(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072351966 558948090 /nfs/dbraw/zinc/94/80/90/558948090.db2.gz LZYZYLBNUJIXEV-CQSZACIVSA-N 0 1 401.898 2.568 40 0 HFABMN COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccnc(N3CCN(C)CC3)c1)cn2C ZINC000019662597 558953638 /nfs/dbraw/zinc/95/36/38/558953638.db2.gz VVXCDVCYBOFKIJ-KRWDZBQOSA-N 0 1 421.545 2.695 40 0 HFABMN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)n[nH]2)cc1 ZINC000072371413 558958043 /nfs/dbraw/zinc/95/80/43/558958043.db2.gz IMKGHHNCMVSKRQ-INIZCTEOSA-N 0 1 407.474 2.768 40 0 HFABMN CC(=O)NCC(=O)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371546 558958400 /nfs/dbraw/zinc/95/84/00/558958400.db2.gz DCBRICLKBWFORO-CQSZACIVSA-N 0 1 424.423 2.502 40 0 HFABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019710305 558972138 /nfs/dbraw/zinc/97/21/38/558972138.db2.gz RCJNONMIHALVLK-MRXNPFEDSA-N 0 1 418.545 2.936 40 0 HFABMN CCn1c(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)nc2ccccc21 ZINC000072392609 558972349 /nfs/dbraw/zinc/97/23/49/558972349.db2.gz KZBGFIQBGQBHFM-XSSDXNQZSA-N 0 1 423.517 2.593 40 0 HFABMN CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(N(C)CCc3ccccc3)c2C1 ZINC000019711414 558973777 /nfs/dbraw/zinc/97/37/77/558973777.db2.gz RPHKITMWZYSZFZ-FQEVSTJZSA-N 0 1 407.562 2.869 40 0 HFABMN CCCCc1ncc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000072394970 558973850 /nfs/dbraw/zinc/97/38/50/558973850.db2.gz LZXKKBYUPVCHJN-VXMMSVGHSA-N 0 1 423.561 2.811 40 0 HFABMN O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000257240327 558993269 /nfs/dbraw/zinc/99/32/69/558993269.db2.gz HSZTUZCSQLSKLD-UFYCRDLUSA-N 0 1 412.578 2.798 40 0 HFABMN O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000257240326 558993317 /nfs/dbraw/zinc/99/33/17/558993317.db2.gz HSZTUZCSQLSKLD-AQNXPRMDSA-N 0 1 412.578 2.798 40 0 HFABMN COc1cc(-c2cnc(N3CCN4CCCC[C@H]4C3)nc2-c2ccco2)nc(OC)n1 ZINC000257259126 558994872 /nfs/dbraw/zinc/99/48/72/558994872.db2.gz KWXYHKZFDAYGGA-HNNXBMFYSA-N 0 1 422.489 2.885 40 0 HFABMN COc1ccc2c(c1OC)C(=O)CO[C@@H]2[C@H]1NCCc2cc3c(c(OC)c21)OCO3 ZINC000095470474 559081184 /nfs/dbraw/zinc/08/11/84/559081184.db2.gz VYZHNAJGVHAHLI-OALUTQOASA-N 0 1 413.426 2.582 40 0 HFABMN COc1ccc(-c2cnc3n2CCN(C)C32CCN(Cc3cnn(C)c3)CC2)cc1 ZINC000096037073 559090920 /nfs/dbraw/zinc/09/09/20/559090920.db2.gz RPNCEIDSJWCPKF-UHFFFAOYSA-N 0 1 406.534 2.729 40 0 HFABMN CN(C)S(=O)(=O)N1CCC2(CC1)CN(Cc1ccc(F)cc1)Cc1ccccc12 ZINC000096242502 559104170 /nfs/dbraw/zinc/10/41/70/559104170.db2.gz GFGUJLLUBVNNPB-UHFFFAOYSA-N 0 1 417.550 2.982 40 0 HFABMN O=C(CN1CCC[C@](O)(COc2ccccc2F)CC1)NCCOc1ccccc1 ZINC000585273749 559118384 /nfs/dbraw/zinc/11/83/84/559118384.db2.gz QQSDILQUMCCDCP-HSZRJFAPSA-N 0 1 416.493 2.617 40 0 HFABMN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000019462544 560873245 /nfs/dbraw/zinc/87/32/45/560873245.db2.gz XIGBGXULJODBCZ-WHSLLNHNSA-N 0 1 407.518 2.876 40 0 HFABMN CCN1CCN([C@H](c2nnnn2C(C)(C)CC)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019499638 560873445 /nfs/dbraw/zinc/87/34/45/560873445.db2.gz ZYRXIBDPTCUPIC-FQEVSTJZSA-N 0 1 423.565 2.695 40 0 HFABMN CCN1CCN([C@H](c2nnnn2Cc2ccc(OC)cc2)c2ccc(F)cc2)CC1 ZINC000019528008 560874705 /nfs/dbraw/zinc/87/47/05/560874705.db2.gz ZRZNLOWHFRZCER-NRFANRHFSA-N 0 1 410.497 2.596 40 0 HFABMN O=C(c1ccccc1F)N1C[C@@H]2COCCN2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000604381800 568489238 /nfs/dbraw/zinc/48/92/38/568489238.db2.gz PAQCKJNHYBYUNA-QGZVFWFLSA-N 0 1 423.479 2.615 40 0 biogenic,in-vitro HFABMN O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000604381978 568489362 /nfs/dbraw/zinc/48/93/62/568489362.db2.gz XKGMHPVDCAGNTG-LJQANCHMSA-N 0 1 420.504 2.867 40 0 biogenic,in-vitro HFABMN CCn1c2ccc(S(=O)(=O)Nc3cc(OC)c(OC)cc3C(C)=O)cc2oc1=O ZINC000223350777 568546137 /nfs/dbraw/zinc/54/61/37/568546137.db2.gz PGQDXEJJBUABEM-UHFFFAOYSA-N 0 1 420.443 2.635 40 0 HFABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000225045999 568611067 /nfs/dbraw/zinc/61/10/67/568611067.db2.gz SMMDOZSZSGZQPJ-GFCCVEGCSA-N 0 1 410.521 2.713 40 0 HFABMN COc1ccc([C@H](N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OC ZINC000095533802 568635376 /nfs/dbraw/zinc/63/53/76/568635376.db2.gz XXYLYMHUTXVNIB-KRWDZBQOSA-N 0 1 400.435 2.563 40 0 HFABMN CCc1nnc([N-]c2cccc([C@@H]3CN(C(=O)CC[NH+]4CCCC4)CCO3)n2)s1 ZINC000257225000 568783574 /nfs/dbraw/zinc/78/35/74/568783574.db2.gz FEKPIYUCYQGUFJ-INIZCTEOSA-N 0 1 416.551 2.625 40 0 HFABMN O=C(c1cn[nH]c1[C@H]1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCC1 ZINC000257232711 568785530 /nfs/dbraw/zinc/78/55/30/568785530.db2.gz GMBFNJFLFHOZDH-GOSISDBHSA-N 0 1 402.520 2.952 40 0 HFABMN CN(C)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000257239403 568787303 /nfs/dbraw/zinc/78/73/03/568787303.db2.gz HPDBROSJGLMVQH-HNNXBMFYSA-N 0 1 424.530 2.579 40 0 HFABMN Cc1c(CN2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cnn1C ZINC000257239249 568787331 /nfs/dbraw/zinc/78/73/31/568787331.db2.gz HOONKPRBUMJXDF-NRFANRHFSA-N 0 1 417.460 2.925 40 0 HFABMN O=C(c1cn[nH]c1C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCCC1 ZINC000257251638 568790668 /nfs/dbraw/zinc/79/06/68/568790668.db2.gz JRNXOSCIJZVEKQ-UHFFFAOYSA-N 0 1 422.938 2.867 40 0 HFABMN Cc1n[nH]c(C)c1CNC(=O)[C@@]1(C)CCCN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000257264106 568794099 /nfs/dbraw/zinc/79/40/99/568794099.db2.gz LSZHYIJFSQHCSH-QFIPXVFZSA-N 0 1 408.506 2.770 40 0 HFABMN CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@H]2CN(C3CCCC3)C[C@H]21 ZINC000306130007 568892369 /nfs/dbraw/zinc/89/23/69/568892369.db2.gz ITXXCIRELWDURS-FUHWJXTLSA-N 0 1 405.564 2.743 40 0 HFABMN CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@@H]2CN(C3CCCC3)C[C@H]21 ZINC000306130008 568892540 /nfs/dbraw/zinc/89/25/40/568892540.db2.gz ITXXCIRELWDURS-SJLPKXTDSA-N 0 1 405.564 2.743 40 0 HFABMN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306130357 568892749 /nfs/dbraw/zinc/89/27/49/568892749.db2.gz JDKBTWHNXDXAHP-ILBGXUMGSA-N 0 1 414.509 2.874 40 0 HFABMN CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)c3cccnc3)N2Cc2ccccc21 ZINC000306138193 568900066 /nfs/dbraw/zinc/90/00/66/568900066.db2.gz RSCSVHFQFOKRSC-UXHICEINSA-N 0 1 407.518 2.783 40 0 HFABMN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306144044 568905352 /nfs/dbraw/zinc/90/53/52/568905352.db2.gz YUIXZJRWCDQNIP-ILBGXUMGSA-N 0 1 414.509 2.874 40 0 HFABMN C[C@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000328983324 568971218 /nfs/dbraw/zinc/97/12/18/568971218.db2.gz HGKJQUXZJFRKOB-SNVBAGLBSA-N 0 1 406.273 2.931 40 0 HFABMN CC(C)(C)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1 ZINC000224317331 569057186 /nfs/dbraw/zinc/05/71/86/569057186.db2.gz BBKWIZBTZCXLAW-UHFFFAOYSA-N 0 1 409.534 2.573 40 0 HFABMN COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c(OC)c1 ZINC000007361318 569337266 /nfs/dbraw/zinc/33/72/66/569337266.db2.gz VTJZZQMZIVFOEZ-UHFFFAOYSA-N 0 1 420.487 2.749 40 0 HFABMN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000007495327 569337677 /nfs/dbraw/zinc/33/76/77/569337677.db2.gz KAMDOOPXQPRVHQ-LFIBNONCSA-N 0 1 413.474 2.708 40 0 HFABMN COc1ccccc1N1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)NC1=S ZINC000008169213 569339813 /nfs/dbraw/zinc/33/98/13/569339813.db2.gz DOADEKVBWYSWDG-MKQNABESSA-N 0 1 409.423 2.991 40 0 HFABMN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3cnc(C)nc3)C1)O2 ZINC000012235371 569344762 /nfs/dbraw/zinc/34/47/62/569344762.db2.gz FHTPZEHCBQTDKZ-AUSIDOKSSA-N 0 1 410.518 2.815 40 0 HFABMN CNC(=O)c1[nH]c(C2CCN(Cc3ccnn3C)CC2)nc1-c1ccc(OC)cc1 ZINC000019698822 569346912 /nfs/dbraw/zinc/34/69/12/569346912.db2.gz PMWSWWKPFVRSBH-UHFFFAOYSA-N 0 1 408.506 2.558 40 0 HFABMN CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1C ZINC000032587412 569350411 /nfs/dbraw/zinc/35/04/11/569350411.db2.gz VJBUNWRTXJUYOV-UHFFFAOYSA-N 0 1 409.460 2.998 40 0 HFABMN COc1cc(-c2cnc(N3CCN4CCCC[C@@H]4C3)nc2-c2ccco2)nc(OC)n1 ZINC000012327887 132358852 /nfs/dbraw/zinc/35/88/52/132358852.db2.gz KWXYHKZFDAYGGA-OAHLLOKOSA-N 0 1 422.489 2.885 40 0 HFABMN CC(=O)NCC(=O)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371545 519650642 /nfs/dbraw/zinc/65/06/42/519650642.db2.gz DCBRICLKBWFORO-AWEZNQCLSA-N 0 1 424.423 2.502 40 0 HFABMN COc1ccccc1CN1CCCc2c(C)nc([C@H]3CCCN3C(=O)CN(C)C)nc21 ZINC000072373761 524451545 /nfs/dbraw/zinc/45/15/45/524451545.db2.gz ODKSWTITWBPPDQ-HXUWFJFHSA-N 0 1 423.561 2.972 40 0 HFABMN COc1ccc([C@@H](CNC(=O)[C@]2(C)Oc3ccccc3N(C)C2=O)N2CCCC2)cc1 ZINC000041070676 525185530 /nfs/dbraw/zinc/18/55/30/525185530.db2.gz KWTRRTCXKZIPAC-YKSBVNFPSA-N 0 1 423.513 2.762 40 0 HFABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)c1 ZINC000408604379 557526523 /nfs/dbraw/zinc/52/65/23/557526523.db2.gz MAQMWXZHKRGYTI-CQSZACIVSA-N 0 1 422.503 2.797 40 0 HFABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(NC(C)=O)c(C)c1 ZINC000408621509 557546567 /nfs/dbraw/zinc/54/65/67/557546567.db2.gz LKVAPFKIFWOJCG-UHFFFAOYSA-N 0 1 422.459 2.558 40 0 HFABMN COCCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1C ZINC000408626181 557558292 /nfs/dbraw/zinc/55/82/92/557558292.db2.gz USGACFRONMUTAC-UHFFFAOYSA-N 0 1 412.895 2.834 40 0 HFABMN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 ZINC000006570724 557708415 /nfs/dbraw/zinc/70/84/15/557708415.db2.gz OHOXUJLXIPBTCY-UHFFFAOYSA-N 0 1 414.531 2.582 40 0 HFABMN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2CC(C)C)C(=O)Nc2ccc(Cl)cc21 ZINC000009042053 557820055 /nfs/dbraw/zinc/82/00/55/557820055.db2.gz OPDUIPGWWWSSAV-NWZZKEMCSA-N 0 1 403.910 2.907 40 0 HFABMN Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCN(Cc3ccnn3C)CC2)n1 ZINC000019757214 558274834 /nfs/dbraw/zinc/27/48/34/558274834.db2.gz BAQCODRQHYLSID-UHFFFAOYSA-N 0 1 410.497 3.000 40 0 HFABMN Cc1nc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763522 558277369 /nfs/dbraw/zinc/27/73/69/558277369.db2.gz KKHDNSAALMNRDR-HXUWFJFHSA-N 0 1 404.518 2.828 40 0 HFABMN Cc1ccc2nc([C@H]3CCCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)[nH]c2c1 ZINC000012143607 558335457 /nfs/dbraw/zinc/33/54/57/558335457.db2.gz ZZBKDAFAIULUOP-GOSISDBHSA-N 0 1 404.536 2.597 40 0 HFABMN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293404 558366498 /nfs/dbraw/zinc/36/64/98/558366498.db2.gz INNDAAZLJNCFMP-RBUKOAKNSA-N 0 1 415.461 2.981 40 0 HFABMN O=C(CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)N1CC(=O)Nc2ccccc21 ZINC000036752847 558803053 /nfs/dbraw/zinc/80/30/53/558803053.db2.gz VPVUTAVNCJOMIO-MRXNPFEDSA-N 0 1 403.486 2.803 40 0 HFABMN Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)c4cc(C(C)C)[nH]n4)C3)c2N)cc1 ZINC000019213283 558849092 /nfs/dbraw/zinc/84/90/92/558849092.db2.gz KGOJIFRNUQLCNF-HNNXBMFYSA-N 0 1 406.490 2.954 40 0 HFABMN COc1ccccc1CC(=O)NC1CCN(Cc2cc(-c3ccccn3)nn2C)CC1 ZINC000019288961 558861778 /nfs/dbraw/zinc/86/17/78/558861778.db2.gz BAXADGLGZOJFQW-UHFFFAOYSA-N 0 1 419.529 2.814 40 0 HFABMN COc1ccccc1CC(=O)NC1CCN(Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019288986 558861956 /nfs/dbraw/zinc/86/19/56/558861956.db2.gz PJGYRSOBVNWBJH-UHFFFAOYSA-N 0 1 419.529 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40 0 HFABMN CN(C)CC(=O)N1CCC(c2ccnc(Nc3ncccc3C(F)(F)F)n2)CC1 ZINC000257316771 568809189 /nfs/dbraw/zinc/80/91/89/568809189.db2.gz VGYPXYRPJPQKEL-UHFFFAOYSA-N 0 1 408.428 2.902 40 0 HFABMN CC(=O)N[C@]12CN(Cc3cccc(C)n3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257335937 568814990 /nfs/dbraw/zinc/81/49/90/568814990.db2.gz YMMJLTONKFTKDA-WXFUMESZSA-N 0 1 406.530 2.690 40 0 HFABMN Cc1cc(C)cc(CN2CCC3(CC2)CN(C)S(=O)(=O)c2cccnc2O3)c1 ZINC000306125050 568888033 /nfs/dbraw/zinc/88/80/33/568888033.db2.gz CFVOPLQFRGFVBU-UHFFFAOYSA-N 0 1 401.532 2.746 40 0 HFABMN CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000306126090 568888824 /nfs/dbraw/zinc/88/88/24/568888824.db2.gz DMGQJHMGVSLINT-FQEVSTJZSA-N 0 1 410.566 2.879 40 0 HFABMN Cc1c(F)cccc1CN1C[C@@H]2Cn3cc(C(=O)NC4CCCCC4)c(=O)nc3[C@@H]2C1 ZINC000306128141 568891033 /nfs/dbraw/zinc/89/10/33/568891033.db2.gz GRHQVUGYRHNTSR-IEBWSBKVSA-N 0 1 424.520 2.983 40 0 HFABMN CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)c3cccnc3)N2Cc2ccccc21 ZINC000306138194 568900229 /nfs/dbraw/zinc/90/02/29/568900229.db2.gz RSCSVHFQFOKRSC-VQTJNVASSA-N 0 1 407.518 2.783 40 0 HFABMN CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)N3CCCCC3)cn21 ZINC000306138925 568900680 /nfs/dbraw/zinc/90/06/80/568900680.db2.gz SKXCDDFAHUBRQR-FQEVSTJZSA-N 0 1 410.566 2.833 40 0 HFABMN CC(C)(C)c1ccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1 ZINC000224328177 569057415 /nfs/dbraw/zinc/05/74/15/569057415.db2.gz PEFOJZLBLNYAFI-UHFFFAOYSA-N 0 1 409.534 2.573 40 0 HFABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCCO4)[n-]c(=O)c3C2)CC1 ZINC000248117971 569316439 /nfs/dbraw/zinc/31/64/39/569316439.db2.gz QJWVDGXNVSUGKR-YEYPGUGLSA-N 0 1 414.550 2.962 40 0 HFABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCCO4)[n-]c(=O)c3C2)CC1 ZINC000248117971 569316440 /nfs/dbraw/zinc/31/64/40/569316440.db2.gz QJWVDGXNVSUGKR-YEYPGUGLSA-N 0 1 414.550 2.962 40 0 HFABMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OC ZINC000006964017 569336436 /nfs/dbraw/zinc/33/64/36/569336436.db2.gz IVXFTQUFKPUZEK-SDNWHVSQSA-N 0 1 412.467 2.934 40 0 HFABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccc(I)c1 ZINC000008477508 569341534 /nfs/dbraw/zinc/34/15/34/569341534.db2.gz QSZZQUINMQKZNC-UKTHLTGXSA-N 0 1 410.211 2.696 40 0 HFABMN C#CCOc1c(CC=C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000008477302 569341540 /nfs/dbraw/zinc/34/15/40/569341540.db2.gz LXQSNVTWLMZVOC-QGOAFFKASA-N 0 1 408.454 2.840 40 0 HFABMN Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H](CCC(=O)[O-])c3ccccc3)CC2)cc1 ZINC000408611467 557529668 /nfs/dbraw/zinc/52/96/68/557529668.db2.gz SFWYDJAGZIKOBF-HXUWFJFHSA-N 0 1 402.516 2.907 40 0 HFABMN CCc1nn2c(nnc3c2ccn(-c2n[nH]c(C)n2)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821598 558290754 /nfs/dbraw/zinc/29/07/54/558290754.db2.gz DTYYJEILOPAWMM-UHFFFAOYSA-N 0 1 406.837 2.738 40 0 HFABMN CCc1nn2c(nnc3c2ccn(-c2nc(C)n[nH]2)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821598 558290755 /nfs/dbraw/zinc/29/07/55/558290755.db2.gz DTYYJEILOPAWMM-UHFFFAOYSA-N 0 1 406.837 2.738 40 0 HFABMN COCc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1 ZINC000022448581 558489995 /nfs/dbraw/zinc/48/99/95/558489995.db2.gz RNGIAXSBBNIJOJ-UHFFFAOYSA-N 0 1 404.514 2.829 40 0 HFABMN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000022834198 558515780 /nfs/dbraw/zinc/51/57/80/558515780.db2.gz GLGYDAUWMGZUAT-HNNXBMFYSA-N 0 1 412.471 2.992 40 0 HFABMN COc1ccc(C2(NC(C)=O)CCN(Cc3ccnc(N4CCCC4)n3)CC2)cc1 ZINC000019021162 558837915 /nfs/dbraw/zinc/83/79/15/558837915.db2.gz OENVBGGSBNFWRX-UHFFFAOYSA-N 0 1 409.534 2.713 40 0 HFABMN Cc1ccc(CC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCC3)C4)C2)cc1 ZINC000019209291 558847848 /nfs/dbraw/zinc/84/78/48/558847848.db2.gz RIBHYTRHUWQAQW-IBGZPJMESA-N 0 1 420.557 2.938 40 0 HFABMN Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)COc2ccccc2)CC1 ZINC000019288974 558861796 /nfs/dbraw/zinc/86/17/96/558861796.db2.gz OZXBREJFJROIFQ-UHFFFAOYSA-N 0 1 405.502 2.642 40 0 HFABMN O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000019335798 558869936 /nfs/dbraw/zinc/86/99/36/558869936.db2.gz SMMDPYXXZWJSLN-DYESRHJHSA-N 0 1 417.525 2.576 40 0 HFABMN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[n-]c(=O)c2C1 ZINC000019448159 558886947 /nfs/dbraw/zinc/88/69/47/558886947.db2.gz XILVVMCYXRTGML-IBGZPJMESA-N 0 1 410.522 2.504 40 0 HFABMN CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[n-]c(=O)c2C1 ZINC000019448159 558886950 /nfs/dbraw/zinc/88/69/50/558886950.db2.gz XILVVMCYXRTGML-IBGZPJMESA-N 0 1 410.522 2.504 40 0 HFABMN C[C@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000019497285 558896234 /nfs/dbraw/zinc/89/62/34/558896234.db2.gz AMXWSYPLBQMEIU-HOTGVXAUSA-N 0 1 402.539 2.945 40 0 HFABMN COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)c2ccn[nH]2)C3)cc1OC ZINC000019561675 558922437 /nfs/dbraw/zinc/92/24/37/558922437.db2.gz KUUPYGWLIHXVHR-JKSUJKDBSA-N 0 1 408.462 2.825 40 0 HFABMN Cc1nn(C)cc1C(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019583611 558937985 /nfs/dbraw/zinc/93/79/85/558937985.db2.gz BHYZZSQDKLGXQC-UHFFFAOYSA-N 0 1 410.497 2.663 40 0 HFABMN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c1 ZINC000061497215 558945321 /nfs/dbraw/zinc/94/53/21/558945321.db2.gz XPMMURIOSYHKAM-UHFFFAOYSA-N 0 1 401.532 2.928 40 0 HFABMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000019659200 558950779 /nfs/dbraw/zinc/95/07/79/558950779.db2.gz GRLMPCCOZMYSKX-SFHVURJKSA-N 0 1 411.550 2.521 40 0 HFABMN Cc1cc2oc(=O)cc(C)c2cc1OC[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000019691007 558960500 /nfs/dbraw/zinc/96/05/00/558960500.db2.gz DZHKOFQGQKGJRS-HXUWFJFHSA-N 0 1 408.498 2.972 40 0 HFABMN Cc1nc(N2CCOCC2)sc1CN(C)Cc1ccccc1N1CCOCC1 ZINC000019715787 558977086 /nfs/dbraw/zinc/97/70/86/558977086.db2.gz YRASKGVDOFSUBD-UHFFFAOYSA-N 0 1 402.564 2.757 40 0 HFABMN CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2Cl)[C@H](O)[C@H]1N1CCc2ccccc2C1 ZINC000585263332 559111986 /nfs/dbraw/zinc/11/19/86/559111986.db2.gz YOKIFBQOJUEBNS-YJMBLLCNSA-N 0 1 400.906 2.784 40 0 HFABMN CC(=O)NCCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585279640 559119280 /nfs/dbraw/zinc/11/92/80/559119280.db2.gz DZQCUYWPCSWPMX-DEOSSOPVSA-N 0 1 412.530 2.998 40 0 HFABMN CC[C@@H](C)Oc1c(I)cc(/C=C2/NC(=O)NC2=O)cc1OC ZINC000409050758 560669998 /nfs/dbraw/zinc/66/99/98/560669998.db2.gz ZKGLSVVYFRWPHT-JMUHATKESA-N 0 1 416.215 2.657 40 0 HFABMN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000019462546 560873253 /nfs/dbraw/zinc/87/32/53/560873253.db2.gz XIGBGXULJODBCZ-VWKPWSFCSA-N 0 1 407.518 2.876 40 0 HFABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCc2ccccc2)s1 ZINC000223102119 568537710 /nfs/dbraw/zinc/53/77/10/568537710.db2.gz DDYFMCDLRTXUKU-UHFFFAOYSA-N 0 1 402.501 2.620 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)s1 ZINC000223514674 568550799 /nfs/dbraw/zinc/55/07/99/568550799.db2.gz XGKIKVRHBAOPRZ-CQSZACIVSA-N 0 1 412.537 2.961 40 0 HFABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1)c1ccccc1 ZINC000224703323 568592940 /nfs/dbraw/zinc/59/29/40/568592940.db2.gz GIRZOPZHKMZMGN-UHFFFAOYSA-N 0 1 408.892 2.922 40 0 HFABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000225636863 568659238 /nfs/dbraw/zinc/65/92/38/568659238.db2.gz QEFBFTKAPSZSSP-UHFFFAOYSA-N 0 1 402.472 2.963 40 0 HFABMN Cc1n[nH]c(C)c1CNC(=O)[C@]1(C)CCCN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000257264105 568793806 /nfs/dbraw/zinc/79/38/06/568793806.db2.gz LSZHYIJFSQHCSH-JOCHJYFZSA-N 0 1 408.506 2.770 40 0 HFABMN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306144526 568905882 /nfs/dbraw/zinc/90/58/82/568905882.db2.gz ZHWCALRBPJPEOD-GGAORHGYSA-N 0 1 420.538 2.935 40 0 HFABMN N[C@@]1(CO)[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218241666 568928603 /nfs/dbraw/zinc/92/86/03/568928603.db2.gz CJEHKWYEIGCAAD-JYJNAYRXSA-N 0 1 416.724 2.732 40 0 HFABMN COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4cc(F)cc(F)c4)C[C@H]32)c(OC)n1 ZINC000247878555 569315602 /nfs/dbraw/zinc/31/56/02/569315602.db2.gz PBTAOUAWCZBFLG-FIKMYACPSA-N 0 1 405.445 2.892 40 0 HFABMN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019463271 569345546 /nfs/dbraw/zinc/34/55/46/569345546.db2.gz GYIXNGBNPZDIMQ-BFYDXBDKSA-N 0 1 412.559 2.752 40 0 HFABMN CNc1cc(CN(C)C)nc([C@H]2CCCN2C(=O)CCc2ccc(N(C)C)cc2)n1 ZINC000019760552 569348848 /nfs/dbraw/zinc/34/88/48/569348848.db2.gz WUTOOTYQNYQICH-HXUWFJFHSA-N 0 1 410.566 2.942 40 0 HFABMN C=C1[NH+]=C(SCCC(=O)[O-])N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000033660002 569350903 /nfs/dbraw/zinc/35/09/03/569350903.db2.gz GMFNOMVEJBCXKX-KRWDZBQOSA-N 0 1 408.476 2.749 40 0 HFABMN CC(C)c1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCC2)n1 ZINC000329054664 571306485 /nfs/dbraw/zinc/30/64/85/571306485.db2.gz VKDWZNOEAIHLBD-UHFFFAOYSA-N 0 1 415.563 3.165 40 0 HFABMN Cn1nc(C2CCCCC2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000012602035 291227523 /nfs/dbraw/zinc/22/75/23/291227523.db2.gz FGFSIUMRZOBHIP-ZCNNSNEGSA-N 0 1 415.582 2.687 40 0 biogenic,in-vitro HFABMN Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000012602035 291227525 /nfs/dbraw/zinc/22/75/25/291227525.db2.gz FGFSIUMRZOBHIP-ZCNNSNEGSA-N 0 1 415.582 2.687 40 0 biogenic,in-vitro HFABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1cccc(C)c1 ZINC000044844626 525025079 /nfs/dbraw/zinc/02/50/79/525025079.db2.gz OTVFWUPPOWMPKE-UHFFFAOYSA-N 0 1 424.544 2.730 40 0 HFABMN COc1ccc([C@@]2(CN(C)C)COc3cc(OC)c(OC)cc3C2=O)cc1OC ZINC000001620144 557276634 /nfs/dbraw/zinc/27/66/34/557276634.db2.gz KPFMEBHRNITQLZ-JOCHJYFZSA-N 0 1 401.459 2.796 40 0 HFABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC(C)C)cc1 ZINC000408595126 557512854 /nfs/dbraw/zinc/51/28/54/557512854.db2.gz TYTZBRBOJRYNJI-CQSZACIVSA-N 0 1 420.487 2.566 40 0 HFABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000408620845 557545824 /nfs/dbraw/zinc/54/58/24/557545824.db2.gz JYVKKFPLEGMEEU-UHFFFAOYSA-N 0 1 424.906 2.930 40 0 HFABMN COc1ccc(-c2cc(=O)n3nc(-c4cc(OC)c(OC)c(OC)c4)[nH]c3n2)cc1 ZINC000009936144 557851906 /nfs/dbraw/zinc/85/19/06/557851906.db2.gz OZSGRRDCISARQV-UHFFFAOYSA-N 0 1 408.414 2.786 40 0 HFABMN Cc1nc2ccc(NC(=O)[C@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2[nH]1 ZINC000019747672 558267225 /nfs/dbraw/zinc/26/72/25/558267225.db2.gz XCENDUZCMAZRLI-ZDUSSCGKSA-N 0 1 402.451 2.660 40 0 HFABMN CCc1n[nH]c(-n2ccc3c(nnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)n1 ZINC000019821564 558290795 /nfs/dbraw/zinc/29/07/95/558290795.db2.gz ITSFUJKHKMEQGS-UHFFFAOYSA-N 0 1 406.837 2.738 40 0 HFABMN CCc1nc(-n2ccc3c(nnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)n[nH]1 ZINC000019821564 558290797 /nfs/dbraw/zinc/29/07/97/558290797.db2.gz ITSFUJKHKMEQGS-UHFFFAOYSA-N 0 1 406.837 2.738 40 0 HFABMN CCn1c2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2n(CC)c1=O ZINC000020215002 558348113 /nfs/dbraw/zinc/34/81/13/558348113.db2.gz MXXDHQCLTQOOFX-UHFFFAOYSA-N 0 1 405.476 2.661 40 0 HFABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)n1 ZINC000022525359 558495719 /nfs/dbraw/zinc/49/57/19/558495719.db2.gz VPILBPGCHRPMRL-UHFFFAOYSA-N 0 1 412.471 2.912 40 0 HFABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)[C@H]1COc2ccccc2O1 ZINC000022532866 558497445 /nfs/dbraw/zinc/49/74/45/558497445.db2.gz LLHUXSNEKVUGHE-LJQANCHMSA-N 0 1 411.439 2.661 40 0 HFABMN CCN1CCN(Cc2c(Cl)nc3ccc(OC)cc3c2N2CCOCC2)CC1 ZINC000022916064 558521685 /nfs/dbraw/zinc/52/16/85/558521685.db2.gz TWWJAISACKNKKH-UHFFFAOYSA-N 0 1 404.942 2.871 40 0 HFABMN COc1ccccc1N1CCN(C[C@H](O)c2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000036741180 558801922 /nfs/dbraw/zinc/80/19/22/558801922.db2.gz KFEWELSLWZTLHK-QHCPKHFHSA-N 0 1 409.530 2.850 40 0 HFABMN COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)C(C)(C)C)C4)[nH]c(=O)c3C2)cc1 ZINC000019081062 558839294 /nfs/dbraw/zinc/83/92/94/558839294.db2.gz DLWBEZBZMRTNSR-QGZVFWFLSA-N 0 1 424.545 2.699 40 0 HFABMN Cc1ccc(CC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCC3)C4)C2)cc1 ZINC000019209289 558847868 /nfs/dbraw/zinc/84/78/68/558847868.db2.gz RIBHYTRHUWQAQW-LJQANCHMSA-N 0 1 420.557 2.938 40 0 HFABMN COc1ccccc1-c1ccccc1C[C@H]1CN(Cc2cnn(C)c2)CCNC1=O ZINC000019290705 558863092 /nfs/dbraw/zinc/86/30/92/558863092.db2.gz MBFZAJMCLPMTIM-FQEVSTJZSA-N 0 1 404.514 2.886 40 0 HFABMN O=C(c1cn[nH]c1C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000019293465 558865171 /nfs/dbraw/zinc/86/51/71/558865171.db2.gz HUSHYTPJOBSEAB-UHFFFAOYSA-N 0 1 422.938 2.867 40 0 HFABMN O=C(C[C@@H]1C(=O)NCCN1C1CCCC1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000019335803 558869860 /nfs/dbraw/zinc/86/98/60/558869860.db2.gz SMMDPYXXZWJSLN-LAUBAEHRSA-N 0 1 417.525 2.576 40 0 HFABMN O=C(C1CCC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019343593 558872445 /nfs/dbraw/zinc/87/24/45/558872445.db2.gz QHQZHQZGVRGQGY-MRXNPFEDSA-N 0 1 412.559 2.896 40 0 HFABMN O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019403707 558884459 /nfs/dbraw/zinc/88/44/59/558884459.db2.gz YFZUHXYONKUMKM-FQEVSTJZSA-N 0 1 422.533 2.618 40 0 HFABMN O=C(c1cnccn1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2 ZINC000019403707 558884462 /nfs/dbraw/zinc/88/44/62/558884462.db2.gz YFZUHXYONKUMKM-FQEVSTJZSA-N 0 1 422.533 2.618 40 0 HFABMN CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccncc5)CC4)[n-]n3c(=O)c2C1 ZINC000019448157 558887071 /nfs/dbraw/zinc/88/70/71/558887071.db2.gz ICNMREJUUXZCDG-UHFFFAOYSA-N 0 1 420.517 2.616 40 0 HFABMN COc1ccc(-c2ccc(C[C@H]3CN(C(=O)c4ccn[nH]4)CCN(C)C3=O)cc2)cc1 ZINC000019589388 558940052 /nfs/dbraw/zinc/94/00/52/558940052.db2.gz DHUOVSNRPPERFB-FQEVSTJZSA-N 0 1 418.497 2.858 40 0 HFABMN O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC1CCN(Cc2ccccn2)CC1 ZINC000019661542 558952759 /nfs/dbraw/zinc/95/27/59/558952759.db2.gz BURHZHAHEIWEDP-UHFFFAOYSA-N 0 1 414.893 2.814 40 0 HFABMN O=C(CN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)N1CCOCC1 ZINC000072358535 558954060 /nfs/dbraw/zinc/95/40/60/558954060.db2.gz ASULAHHFWHPLOE-QGZVFWFLSA-N 0 1 400.910 2.835 40 0 HFABMN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)Cc3ccccn3)C2)n[nH]1 ZINC000072371340 558957883 /nfs/dbraw/zinc/95/78/83/558957883.db2.gz JWKMPTKUFASMIA-KRWDZBQOSA-N 0 1 406.486 2.993 40 0 HFABMN O=C(CN1CCCN(Cc2cccc(F)c2)CC1)N1CCC[C@H](c2csnn2)C1 ZINC000072372998 558960889 /nfs/dbraw/zinc/96/08/89/558960889.db2.gz IAJCKCYBIUDIQZ-SFHVURJKSA-N 0 1 417.554 2.591 40 0 HFABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000019708836 558971535 /nfs/dbraw/zinc/97/15/35/558971535.db2.gz IFWGITACCLTFAW-MRXNPFEDSA-N 0 1 418.545 2.936 40 0 HFABMN COc1ccccc1CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711325 558973415 /nfs/dbraw/zinc/97/34/15/558973415.db2.gz GAOJSMLPFOXGDU-GOSISDBHSA-N 0 1 409.534 2.811 40 0 HFABMN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000072399050 558976574 /nfs/dbraw/zinc/97/65/74/558976574.db2.gz GYIXNGBNPZDIMQ-HLLBOEOZSA-N 0 1 412.559 2.752 40 0 HFABMN O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@H](c2ccccc2)C1 ZINC000257280125 558999583 /nfs/dbraw/zinc/99/95/83/558999583.db2.gz OJNQMSQXNKPZBC-LEWJYISDSA-N 0 1 420.557 2.775 40 0 HFABMN CN1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3ccccn3)C2)C1 ZINC000585107474 559027957 /nfs/dbraw/zinc/02/79/57/559027957.db2.gz XAPBHRIMDFCPAQ-XMMPIXPASA-N 0 1 401.514 2.951 40 0 HFABMN CN1CCCN(C(=O)c2nc(-c3cn(-c4ccccc4)cn3)n3ccccc23)CC1 ZINC000096155063 559099364 /nfs/dbraw/zinc/09/93/64/559099364.db2.gz JMWYVOXUIZTRHY-UHFFFAOYSA-N 0 1 400.486 2.965 40 0 HFABMN CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2Cl)[C@H](O)[C@H]1N(C)Cc1ccc(F)cc1 ZINC000585262258 559110756 /nfs/dbraw/zinc/11/07/56/559110756.db2.gz AMMCWMVZBHCCRO-PBASOCQRSA-N 0 1 406.885 2.996 40 0 HFABMN COc1ccccc1CNC(=O)CN1CCC[C@@](O)(COc2ccc(C)cc2)CC1 ZINC000585274168 559118520 /nfs/dbraw/zinc/11/85/20/559118520.db2.gz TWOXYBJDTLNIRB-DEOSSOPVSA-N 0 1 412.530 2.916 40 0 HFABMN CCc1[nH+]ccn1CC(=O)N[C@H](Cc1cc(=O)n2[n-]c(C)cc2n1)c1ccc(F)cc1 ZINC000100220686 559132260 /nfs/dbraw/zinc/13/22/60/559132260.db2.gz RZYMDXCJTFHXDF-GOSISDBHSA-N 0 1 422.464 2.742 40 0 HFABMN CCc1cc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CC[N@H+](C(C)C)C4)on1 ZINC000100234309 559132881 /nfs/dbraw/zinc/13/28/81/559132881.db2.gz 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ZINC000224584811 568586342 /nfs/dbraw/zinc/58/63/42/568586342.db2.gz XEUZIDLRSJRDKB-UHFFFAOYSA-N 0 1 407.444 2.686 40 0 HFABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2)s1)c1ccccc1Cl ZINC000224717515 568593454 /nfs/dbraw/zinc/59/34/54/568593454.db2.gz PUUUVJLPECCWLD-UHFFFAOYSA-N 0 1 408.892 2.922 40 0 HFABMN COc1cc(CN2CCC(NC(=S)NCc3ccco3)CC2)cc(OC)c1OC ZINC000225228881 568624668 /nfs/dbraw/zinc/62/46/68/568624668.db2.gz JUSGUZYEBYBGMY-UHFFFAOYSA-N 0 1 419.547 2.934 40 0 HFABMN COc1ccc([C@@H](N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OC ZINC000095533803 568635426 /nfs/dbraw/zinc/63/54/26/568635426.db2.gz XXYLYMHUTXVNIB-QGZVFWFLSA-N 0 1 400.435 2.563 40 0 HFABMN CNC(=O)c1sc2nc([C@H]3CCCCN3C(=O)CN3CCCCC3)ccc2c1N ZINC000257219557 568781856 /nfs/dbraw/zinc/78/18/56/568781856.db2.gz DHFVWIYSRWTZJH-MRXNPFEDSA-N 0 1 415.563 2.778 40 0 HFABMN O=C(CN1CCCC1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257247907 568789650 /nfs/dbraw/zinc/78/96/50/568789650.db2.gz JBCPERMBGIRNDB-FQEVSTJZSA-N 0 1 418.925 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CHAHMCUJXHNJLF-UHFFFAOYSA-N 0 1 422.316 2.582 40 0 HFABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 ZINC000007361315 569337312 /nfs/dbraw/zinc/33/73/12/569337312.db2.gz NWUUVMXTSZAGKU-UHFFFAOYSA-N 0 1 418.471 2.519 40 0 HFABMN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3cnc(C)nc3)C1)O2 ZINC000012235379 569344791 /nfs/dbraw/zinc/34/47/91/569344791.db2.gz FHTPZEHCBQTDKZ-WMZHIEFXSA-N 0 1 410.518 2.815 40 0 HFABMN O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000019292028 569345379 /nfs/dbraw/zinc/34/53/79/569345379.db2.gz ROOULFYYWGUYBD-ZJOUEHCJSA-N 0 1 412.578 2.940 40 0 HFABMN Cc1nnc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3cnn(C)c3)nc(C)n2)s1 ZINC000585291541 571310314 /nfs/dbraw/zinc/31/03/14/571310314.db2.gz ROFZTYUPYYTTMJ-IWAYRVGRSA-N 0 1 424.534 3.189 40 0 HFABMN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000020487245 558376711 /nfs/dbraw/zinc/37/67/11/558376711.db2.gz WAEBLGDOPVAYHB-OAHLLOKOSA-N 0 1 412.471 2.992 40 0 HFABMN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)cc1 ZINC000023421779 558557884 /nfs/dbraw/zinc/55/78/84/558557884.db2.gz VFPBOFNQHUVNHS-UHFFFAOYSA-N 0 1 401.532 2.928 40 0 HFABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000029046846 558708962 /nfs/dbraw/zinc/70/89/62/558708962.db2.gz IERYZOLWMQSTMA-UHFFFAOYSA-N 0 1 409.460 2.917 40 0 HFABMN Cc1cc(C)n2ncc(CN3C[C@@H](c4ccccn4)[C@]4(C3)CCCCC(=O)N4)c2n1 ZINC000019116591 558842130 /nfs/dbraw/zinc/84/21/30/558842130.db2.gz YZSRPVCPQIZQOE-WMZHIEFXSA-N 0 1 404.518 2.770 40 0 HFABMN Cc1ccn(CCC(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)n1 ZINC000019238101 558857183 /nfs/dbraw/zinc/85/71/83/558857183.db2.gz DSOIJQKNZKBENW-UHFFFAOYSA-N 0 1 424.524 2.902 40 0 HFABMN Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000019288978 558861757 /nfs/dbraw/zinc/86/17/57/558861757.db2.gz UUSPVRGQEIUZKB-UHFFFAOYSA-N 0 1 407.493 2.945 40 0 HFABMN O=C(Cc1cccc(F)c1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375648 558881930 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COc1cccc(CN2CCC[C@H]2C(=O)N2CCCN(Cc3ccccn3)CC2)c1 ZINC000019661196 558952325 /nfs/dbraw/zinc/95/23/25/558952325.db2.gz JEYLWPYHZJQDPV-QHCPKHFHSA-N 0 1 408.546 2.789 40 0 HFABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2ccc(-n3cccn3)nc2)cc1 ZINC000019663873 558954628 /nfs/dbraw/zinc/95/46/28/558954628.db2.gz SLFMKHJWJXKCQU-NRFANRHFSA-N 0 1 400.442 2.787 40 0 HFABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(S(=O)(=O)N(C)C)C3)n[nH]2)cc1 ZINC000072371326 558957857 /nfs/dbraw/zinc/95/78/57/558957857.db2.gz YBQOKKXUPFXWRT-KRWDZBQOSA-N 0 1 406.552 2.750 40 0 HFABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)Cc1c[nH]c3ccccc13)CC2 ZINC000019710306 558972103 /nfs/dbraw/zinc/97/21/03/558972103.db2.gz RCJNONMIHALVLK-INIZCTEOSA-N 0 1 418.545 2.936 40 0 HFABMN Cc1nc(N2CCC(C)CC2)ncc1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000019714727 558975028 /nfs/dbraw/zinc/97/50/28/558975028.db2.gz RXCKMPIXVHJXBT-UHFFFAOYSA-N 0 1 408.550 2.811 40 0 HFABMN CCn1nc([C@H](C)C(=O)NC2CCN(Cc3ccccn3)CC2)c2ccccc2c1=O ZINC000019716945 558979192 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O=C(Nc1nnc(S(=O)(=O)NCCSc2ccccc2)s1)c1ccccc1 ZINC000225572609 568652689 /nfs/dbraw/zinc/65/26/89/568652689.db2.gz JWJSQLSITCWFPK-UHFFFAOYSA-N 0 1 420.541 2.861 40 0 HFABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCc3ccco3)s2)c1 ZINC000225873753 568682609 /nfs/dbraw/zinc/68/26/09/568682609.db2.gz OGXKEMKZZWBCHT-UHFFFAOYSA-N 0 1 406.489 2.603 40 0 HFABMN Cc1ccnc(CN2CC[C@]3(C2)COCc2cnc(NCC4CCOCC4)nc23)c1 ZINC000247924741 568746025 /nfs/dbraw/zinc/74/60/25/568746025.db2.gz OYTFHVVQSBUCNU-QHCPKHFHSA-N 0 1 409.534 2.692 40 0 HFABMN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CN2CCCCC2)C1 ZINC000257240388 568787646 /nfs/dbraw/zinc/78/76/46/568787646.db2.gz HTEVZNCJYQZSKP-HXUWFJFHSA-N 0 1 423.561 2.874 40 0 HFABMN CC1CCN(CC(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1 ZINC000257241879 568788082 /nfs/dbraw/zinc/78/80/82/568788082.db2.gz IABAWYAVFKNZFP-JOCHJYFZSA-N 0 1 421.969 2.935 40 0 HFABMN CC(C)(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](n3ccnc3)CC2)c(OCC(=O)[O-])c1 ZINC000257340130 568815950 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CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000016022098 569026140 /nfs/dbraw/zinc/02/61/40/569026140.db2.gz AZBQPUGGUIPFCL-LXGFNCFKSA-N 0 1 403.910 2.905 40 0 HFABMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1O ZINC000008477255 569341500 /nfs/dbraw/zinc/34/15/00/569341500.db2.gz YEKIIGRFNQTXRY-IZZDOVSWSA-N 0 1 409.236 2.568 40 0 HFABMN COCCC(=O)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccccc3OC)n2)C1 ZINC000019704959 569347758 /nfs/dbraw/zinc/34/77/58/569347758.db2.gz NTAKFKGGMXTICX-INIZCTEOSA-N 0 1 409.490 2.931 40 0 HFABMN Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNS(C)(=O)=O ZINC000008635479 291227435 /nfs/dbraw/zinc/22/74/35/291227435.db2.gz CJXGXLQJTJBLCI-TYPHKJRUSA-N 0 1 424.570 2.967 40 0 biogenic,in-vitro HFABMN Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNS(C)(=O)=O ZINC000008635479 291227436 /nfs/dbraw/zinc/22/74/36/291227436.db2.gz CJXGXLQJTJBLCI-TYPHKJRUSA-N 0 1 424.570 2.967 40 0 biogenic,in-vitro HFABMN CNC(=O)c1cnc(C)nc1CC1CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000019757176 521925782 /nfs/dbraw/zinc/92/57/82/521925782.db2.gz XTQRMBLFLPCFGP-UHFFFAOYSA-N 0 1 418.545 2.844 40 0 HFABMN CCN(CC)CCN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000005469543 557655539 /nfs/dbraw/zinc/65/55/39/557655539.db2.gz WBIPIAMUBPTHIQ-UHFFFAOYSA-N 0 1 410.561 2.716 40 0 HFABMN COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)CN(C)C)nc1C ZINC000019753427 558272780 /nfs/dbraw/zinc/27/27/80/558272780.db2.gz FIDONUKWYSJZNA-SFHVURJKSA-N 0 1 411.506 2.661 40 0 HFABMN COc1cc(CN2Cc3ccccc3OC3(CCOCC3)C2)ccc1OCC(N)=O ZINC000012122175 558330829 /nfs/dbraw/zinc/33/08/29/558330829.db2.gz LHFVXINOYZBHKE-UHFFFAOYSA-N 0 1 412.486 2.503 40 0 HFABMN Cc1ccc2nc([C@@H]3CCCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)[nH]c2c1 ZINC000012143606 558335450 /nfs/dbraw/zinc/33/54/50/558335450.db2.gz ZZBKDAFAIULUOP-SFHVURJKSA-N 0 1 404.536 2.597 40 0 HFABMN Cc1ccc(CN2CCC(O)(CN3c4ccccc4C(=O)N4CCC[C@@H]4C3=O)CC2)o1 ZINC000019216558 558850441 /nfs/dbraw/zinc/85/04/41/558850441.db2.gz AZVZRKWZPISUAR-OAQYLSRUSA-N 0 1 423.513 2.566 40 0 HFABMN O=C(C1CC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019292124 558864327 /nfs/dbraw/zinc/86/43/27/558864327.db2.gz VLWULZGWXQYRDL-MRXNPFEDSA-N 0 1 409.534 2.852 40 0 HFABMN O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019343143 558872498 /nfs/dbraw/zinc/87/24/98/558872498.db2.gz FXLKULBVFURJIQ-HNNXBMFYSA-N 0 1 412.559 2.691 40 0 HFABMN CCc1n[nH]c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1C ZINC000019520975 558902258 /nfs/dbraw/zinc/90/22/58/558902258.db2.gz URJVAHHOOGBWGA-GOSISDBHSA-N 0 1 404.474 2.867 40 0 HFABMN CCn1cc(CN2CCN(C(=O)c3cc(-c4cccc(OC)c4)[nH]n3)CC2)c(C)n1 ZINC000019524574 558905720 /nfs/dbraw/zinc/90/57/20/558905720.db2.gz NWNDIJHCAGSZNX-UHFFFAOYSA-N 0 1 408.506 2.568 40 0 HFABMN COc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)c(OC)c1OC ZINC000019552746 558916090 /nfs/dbraw/zinc/91/60/90/558916090.db2.gz RZOGUZLLNMBCRG-UHFFFAOYSA-N 0 1 411.462 2.932 40 0 HFABMN COc1cccc(CN2CCC(c3cc(C(=O)N4CCOCC4)on3)CC2)c1OC ZINC000019567664 558926841 /nfs/dbraw/zinc/92/68/41/558926841.db2.gz ZYUFEQNSKBYPEB-UHFFFAOYSA-N 0 1 415.490 2.544 40 0 HFABMN CCCn1ncc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C ZINC000072338945 558938501 /nfs/dbraw/zinc/93/85/01/558938501.db2.gz RFMPGYOMTLBEOK-FQEVSTJZSA-N 0 1 403.552 2.544 40 0 HFABMN O=C(c1cn[nH]c1[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1)N1CCCC1 ZINC000072344755 558941139 /nfs/dbraw/zinc/94/11/39/558941139.db2.gz MBFZSHNWOFYARX-UTKZUKDTSA-N 0 1 408.502 2.666 40 0 HFABMN CN(C)C(=O)CN1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371357 558958087 /nfs/dbraw/zinc/95/80/87/558958087.db2.gz TYLLMJXLPURBEJ-AWEZNQCLSA-N 0 1 410.440 2.928 40 0 HFABMN CN(C)C(=O)CN1CC[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000072371357 558958091 /nfs/dbraw/zinc/95/80/91/558958091.db2.gz TYLLMJXLPURBEJ-AWEZNQCLSA-N 0 1 410.440 2.928 40 0 HFABMN CN(C)c1ncc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)cn1 ZINC000072371548 558958415 /nfs/dbraw/zinc/95/84/15/558958415.db2.gz GOXMDVKXYUEKNL-OAHLLOKOSA-N 0 1 424.480 2.656 40 0 HFABMN COc1cccc(OCCc2cc([C@H]3CCN(C(=O)Cc4ccncc4)C3)n[nH]2)c1 ZINC000072380174 558968292 /nfs/dbraw/zinc/96/82/92/558968292.db2.gz MLUFYAUPVJPGEC-SFHVURJKSA-N 0 1 406.486 2.993 40 0 HFABMN COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)Cc4ccncc4)C3)n[nH]2)c1 ZINC000072380173 558968311 /nfs/dbraw/zinc/96/83/11/558968311.db2.gz MLUFYAUPVJPGEC-GOSISDBHSA-N 0 1 406.486 2.993 40 0 HFABMN CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CN(C)C)CCO1 ZINC000072389110 558969607 /nfs/dbraw/zinc/96/96/07/558969607.db2.gz RTEYQYWQIAAULL-VWLOTQADSA-N 0 1 423.557 2.580 40 0 HFABMN CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(NCCc3ncc(C)s3)c2C1 ZINC000019711323 558973491 /nfs/dbraw/zinc/97/34/91/558973491.db2.gz SHENDDVUCVVADH-MRXNPFEDSA-N 0 1 414.579 2.610 40 0 HFABMN COc1ccccc1CCNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711327 558973670 /nfs/dbraw/zinc/97/36/70/558973670.db2.gz ZGZKNMMHUQXLBO-LJQANCHMSA-N 0 1 423.561 2.854 40 0 HFABMN Cc1ccc(N2C[C@@H](C(=O)NC3CCN(Cc4ccccn4)CC3)CC2=O)c(C)c1 ZINC000019713989 558973757 /nfs/dbraw/zinc/97/37/57/558973757.db2.gz MECXXNMQXMGBNY-IBGZPJMESA-N 0 1 406.530 2.832 40 0 HFABMN Cc1nc2ccccn2c1CN1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O ZINC000019714579 558974635 /nfs/dbraw/zinc/97/46/35/558974635.db2.gz YMPOOZCEWUHIGD-UHFFFAOYSA-N 0 1 403.486 2.729 40 0 HFABMN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)cc2[nH]c1=O ZINC000100065513 559129322 /nfs/dbraw/zinc/12/93/22/559129322.db2.gz WZKBDZWYVYFWEI-UHFFFAOYSA-N 0 1 409.423 2.810 40 0 HFABMN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000006283945 560740881 /nfs/dbraw/zinc/74/08/81/560740881.db2.gz LOEPWTGFUDDNNR-UHFFFAOYSA-N 0 1 412.559 2.893 40 0 HFABMN COCCN1CCN(c2ccc(NCc3cc4ccc(OC)cc4[nH]c3=O)cc2)CC1 ZINC000013479977 560811397 /nfs/dbraw/zinc/81/13/97/560811397.db2.gz ZYBIKMVFXXKUJV-UHFFFAOYSA-N 0 1 422.529 2.917 40 0 HFABMN CCCN1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019503417 560873830 /nfs/dbraw/zinc/87/38/30/560873830.db2.gz XEBZCRBWCRMRAG-FQEVSTJZSA-N 0 1 423.565 2.695 40 0 HFABMN CCN1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019527927 560874678 /nfs/dbraw/zinc/87/46/78/560874678.db2.gz ZOEFFWHAQZVNLU-HXUWFJFHSA-N 0 1 423.565 2.613 40 0 HFABMN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1CCCN1CCOCC1 ZINC000222733607 568525042 /nfs/dbraw/zinc/52/50/42/568525042.db2.gz UEUOPSCTQTVPMR-NHCUHLMSSA-N 0 1 413.591 2.825 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)s1 ZINC000222844699 568528192 /nfs/dbraw/zinc/52/81/92/568528192.db2.gz VEDIHQXILGCCHP-GFCCVEGCSA-N 0 1 410.521 2.776 40 0 HFABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)s1 ZINC000222922911 568531044 /nfs/dbraw/zinc/53/10/44/568531044.db2.gz ZIUIMXVFUCNAII-INIZCTEOSA-N 0 1 402.501 2.873 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccccc2Cl)s1 ZINC000223402293 568547538 /nfs/dbraw/zinc/54/75/38/568547538.db2.gz FLRBBGZIGCHDDC-UHFFFAOYSA-N 0 1 420.969 2.752 40 0 HFABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000223529767 568551066 /nfs/dbraw/zinc/55/10/66/568551066.db2.gz BGOKGCYYVIJTMI-UHFFFAOYSA-N 0 1 409.460 2.917 40 0 HFABMN COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000223795140 568559330 /nfs/dbraw/zinc/55/93/30/568559330.db2.gz NXXLSEJFZMRTDS-UHFFFAOYSA-N 0 1 404.488 2.747 40 0 HFABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCc2ccc(Cl)cc2)s1 ZINC000225097313 568614263 /nfs/dbraw/zinc/61/42/63/568614263.db2.gz OXVVCVJYWFKQJK-UHFFFAOYSA-N 0 1 402.929 2.697 40 0 HFABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCc3ccc(F)cc3)s2)cc1 ZINC000225128624 568616046 /nfs/dbraw/zinc/61/60/46/568616046.db2.gz KXNIWIWSPQFXDD-UHFFFAOYSA-N 0 1 420.491 2.759 40 0 HFABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCc3ccccc3)s2)cc1 ZINC000225461233 568640257 /nfs/dbraw/zinc/64/02/57/568640257.db2.gz BTWMZUCLKCKIOV-UHFFFAOYSA-N 0 1 402.501 2.620 40 0 HFABMN NC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1 ZINC000257202302 568776782 /nfs/dbraw/zinc/77/67/82/568776782.db2.gz ALFBLGQKGPSJNT-HSZRJFAPSA-N 0 1 416.525 2.832 40 0 HFABMN COc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000257219642 568781846 /nfs/dbraw/zinc/78/18/46/568781846.db2.gz DHNGVWLRVIRYCB-NRFANRHFSA-N 0 1 421.501 2.724 40 0 HFABMN COc1ccccc1[C@H]1CN(C(C)=O)CCN1CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000257219643 568781858 /nfs/dbraw/zinc/78/18/58/568781858.db2.gz DHNGVWLRVIRYCB-OAQYLSRUSA-N 0 1 421.501 2.724 40 0 HFABMN Cc1c(CN2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cnn1C ZINC000257239250 568787262 /nfs/dbraw/zinc/78/72/62/568787262.db2.gz HOONKPRBUMJXDF-OAQYLSRUSA-N 0 1 417.460 2.925 40 0 HFABMN Cc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCCCC2)cn1 ZINC000257251627 568790693 /nfs/dbraw/zinc/79/06/93/568790693.db2.gz JRMLRPRNOAXKIX-CZYKHXBRSA-N 0 1 413.493 2.694 40 0 HFABMN O=C(c1ccn[nH]1)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000257317118 568809347 /nfs/dbraw/zinc/80/93/47/568809347.db2.gz VIMGJEPLBBOSAZ-SFHVURJKSA-N 0 1 401.854 2.621 40 0 HFABMN O=C(NCc1ccccc1)C1CCN(C2=NO[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000306129862 568892336 /nfs/dbraw/zinc/89/23/36/568892336.db2.gz IOZMRFPRZNGVLE-XZOQPEGZSA-N 0 1 418.541 2.859 40 0 HFABMN COCCN1C[C@@]2(CCN(Cc3cccc(C)c3)C2)Oc2ccccc2S1(=O)=O ZINC000306135833 568897727 /nfs/dbraw/zinc/89/77/27/568897727.db2.gz PCGLWXUBYRRTIO-QFIPXVFZSA-N 0 1 416.543 2.669 40 0 HFABMN COc1ncccc1CN1CCC2(CCn3c2nnc(-c2ccc(C)cc2)c3=O)CC1 ZINC000306142420 568904057 /nfs/dbraw/zinc/90/40/57/568904057.db2.gz WZBMXZKYHYDJOU-UHFFFAOYSA-N 0 1 417.513 2.955 40 0 HFABMN CN1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306144430 568905844 /nfs/dbraw/zinc/90/58/44/568905844.db2.gz ZEVFRJQLQLXKDB-GOSISDBHSA-N 0 1 407.514 2.865 40 0 HFABMN CCc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCCC2)n1 ZINC000329007161 568972302 /nfs/dbraw/zinc/97/23/02/568972302.db2.gz LHHKWIMPKKAJSB-UHFFFAOYSA-N 0 1 415.563 2.994 40 0 HFABMN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1Cl ZINC000224321977 569057324 /nfs/dbraw/zinc/05/73/24/569057324.db2.gz GFONOYJABMBWCS-UHFFFAOYSA-N 0 1 416.913 2.629 40 0 HFABMN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000006228389 569330066 /nfs/dbraw/zinc/33/00/66/569330066.db2.gz XKNCBMZVDYROCZ-FMIVXFBMSA-N 0 1 410.543 2.973 40 0 HFABMN Cn1nccc1CN1CCC(c2ccc(C(=O)NCc3ccccc3)c(N)n2)CC1 ZINC000019766016 569349051 /nfs/dbraw/zinc/34/90/51/569349051.db2.gz SAFHYEDBGPIQMT-UHFFFAOYSA-N 0 1 404.518 2.707 40 0 HFABMN CCCOc1ccc(N2C(=O)C[C@H](N3CCN(CCc4ccccc4)CC3)C2=O)cc1 ZINC000020353752 520387177 /nfs/dbraw/zinc/38/71/77/520387177.db2.gz JNAXSYBBBVBTMV-QHCPKHFHSA-N 0 1 421.541 2.968 40 0 HFABMN CCOc1ccc(NS(=O)(=O)c2c[nH]c3cc4cc(OC)c(OC)cc4n32)cc1 ZINC000032611951 521133758 /nfs/dbraw/zinc/13/37/58/521133758.db2.gz VPGHOSXBJSUOSE-UHFFFAOYSA-N 0 1 415.471 2.993 40 0 HFABMN Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2 ZINC000000538339 557018367 /nfs/dbraw/zinc/01/83/67/557018367.db2.gz RBGAHDDQSRBDOG-UHFFFAOYSA-N 0 1 401.507 2.934 40 0 in-man HFABMN C[C@H](C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)n1ccnc1 ZINC000019079951 558838920 /nfs/dbraw/zinc/83/89/20/558838920.db2.gz ACPZZZOQYSEPIB-MRXNPFEDSA-N 0 1 410.497 2.765 40 0 HFABMN Cc1cc(C)n2ncc(CN3C[C@@H](c4cccnc4)[C@]4(C3)CCCCC(=O)N4)c2n1 ZINC000019116594 558842090 /nfs/dbraw/zinc/84/20/90/558842090.db2.gz RKLFXSSWFJOESM-NZQKXSOJSA-N 0 1 404.518 2.770 40 0 HFABMN Cc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019209311 558847925 /nfs/dbraw/zinc/84/79/25/558847925.db2.gz JTMGXNCVQARIMF-QZTJIDSGSA-N 0 1 424.545 2.916 40 0 HFABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000055562417 558882703 /nfs/dbraw/zinc/88/27/03/558882703.db2.gz PWZCODRPOSGWQG-UHFFFAOYSA-N 0 1 409.460 2.917 40 0 HFABMN CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccccn5)CC4)[n-]n3c(=O)c2C1 ZINC000019448153 558887223 /nfs/dbraw/zinc/88/72/23/558887223.db2.gz NLAKCDMGUUMQPP-UHFFFAOYSA-N 0 1 420.517 2.616 40 0 HFABMN COc1cccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCN(C(C)C)CC2)c1 ZINC000019448629 558887362 /nfs/dbraw/zinc/88/73/62/558887362.db2.gz ULPGYWTUOHISGQ-UHFFFAOYSA-N 0 1 420.513 2.602 40 0 HFABMN C[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000019497301 558896173 /nfs/dbraw/zinc/89/61/73/558896173.db2.gz ZHGSKTCQZABWDY-IAGOWNOFSA-N 0 1 410.518 2.608 40 0 HFABMN CCCn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)n1 ZINC000019526115 558907465 /nfs/dbraw/zinc/90/74/65/558907465.db2.gz MKTZWZGRWYIKQM-IBGZPJMESA-N 0 1 412.538 2.923 40 0 HFABMN CCCn1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)n1 ZINC000019526115 558907466 /nfs/dbraw/zinc/90/74/66/558907466.db2.gz MKTZWZGRWYIKQM-IBGZPJMESA-N 0 1 412.538 2.923 40 0 HFABMN COc1ccccc1CN1CCC[C@]2(C1)CN(S(C)(=O)=O)Cc1ccccc1O2 ZINC000019570399 558929326 /nfs/dbraw/zinc/92/93/26/558929326.db2.gz XMHAQJHNFJWLKM-QFIPXVFZSA-N 0 1 416.543 2.884 40 0 HFABMN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019580085 558935794 /nfs/dbraw/zinc/93/57/94/558935794.db2.gz XGEDVYGJWFPYGQ-HSZRJFAPSA-N 0 1 403.486 2.635 40 0 HFABMN CN(Cc1ccc(CN2CCN(CC3(c4ccccc4)CC3)CC2)o1)S(C)(=O)=O ZINC000019586431 558939423 /nfs/dbraw/zinc/93/94/23/558939423.db2.gz QHWAQOWMGHSSOS-UHFFFAOYSA-N 0 1 417.575 2.520 40 0 HFABMN COc1ncc([C@@]2(O)CCC[C@@H]3CN(Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343013 558940642 /nfs/dbraw/zinc/94/06/42/558940642.db2.gz SFHFTUGTFJFNDS-JRQSSSKMSA-N 0 1 405.445 2.892 40 0 HFABMN COCCc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019593846 558945177 /nfs/dbraw/zinc/94/51/77/558945177.db2.gz FFBKQRMWYDJBOU-MRXNPFEDSA-N 0 1 411.531 2.857 40 0 HFABMN COc1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595107 558945773 /nfs/dbraw/zinc/94/57/73/558945773.db2.gz QJOVQFYDHITVMJ-INIZCTEOSA-N 0 1 407.474 2.624 40 0 HFABMN COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595107 558945775 /nfs/dbraw/zinc/94/57/75/558945775.db2.gz QJOVQFYDHITVMJ-INIZCTEOSA-N 0 1 407.474 2.624 40 0 HFABMN CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(CCOc3ccc(F)cc3)n[nH]2)C1 ZINC000072371328 558957876 /nfs/dbraw/zinc/95/78/76/558957876.db2.gz HGJVHCPMSUXEEP-OAHLLOKOSA-N 0 1 410.515 2.546 40 0 HFABMN Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2)nc2c1CCCN2Cc1ccccn1 ZINC000072372879 558960537 /nfs/dbraw/zinc/96/05/37/558960537.db2.gz QNHNWWMLOSMTSC-OAQYLSRUSA-N 0 1 420.561 2.892 40 0 HFABMN CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4cccnc4NC)C3)n2)ncn1 ZINC000072378085 558967245 /nfs/dbraw/zinc/96/72/45/558967245.db2.gz JMDCQNYEZKOGNP-OAHLLOKOSA-N 0 1 405.510 2.868 40 0 HFABMN Cc1ncccc1NC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccccn3)CC2)O1 ZINC000096243878 559105010 /nfs/dbraw/zinc/10/50/10/559105010.db2.gz PFGMCMKYZVRZME-HXUWFJFHSA-N 0 1 418.501 2.510 40 0 HFABMN CCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233659 559132682 /nfs/dbraw/zinc/13/26/82/559132682.db2.gz 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CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(Cl)cc2)s1 ZINC000223091676 568537322 /nfs/dbraw/zinc/53/73/22/568537322.db2.gz AZKZWBDHEVLMLA-UHFFFAOYSA-N 0 1 402.929 2.697 40 0 HFABMN COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000223646169 568554734 /nfs/dbraw/zinc/55/47/34/568554734.db2.gz FWNDYNXRRZGOJF-UHFFFAOYSA-N 0 1 407.444 2.832 40 0 HFABMN Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000223851467 568560801 /nfs/dbraw/zinc/56/08/01/568560801.db2.gz LCVUMSSOTBIZRR-GFCCVEGCSA-N 0 1 412.537 2.577 40 0 HFABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCc3ccc(F)cc3)s2)c1 ZINC000225128677 568616180 /nfs/dbraw/zinc/61/61/80/568616180.db2.gz IHOJOJXMVPQQQZ-UHFFFAOYSA-N 0 1 420.491 2.759 40 0 HFABMN CCOc1ccc([C@@H](N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OC ZINC000095534229 568635329 /nfs/dbraw/zinc/63/53/29/568635329.db2.gz CLQHPWIWAAAZGP-GOSISDBHSA-N 0 1 414.462 2.953 40 0 HFABMN CCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257209420 568778716 /nfs/dbraw/zinc/77/87/16/568778716.db2.gz BQHLRBLNMLNWNL-LJQANCHMSA-N 0 1 403.486 2.635 40 0 HFABMN CCN(CC)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000257223858 568783159 /nfs/dbraw/zinc/78/31/59/568783159.db2.gz DZFMOMWEJYHUJL-RDJZCZTQSA-N 0 1 423.517 2.724 40 0 HFABMN Cc1nc2cc([C@@H]3CCCN3CC3CC3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257335846 568814754 /nfs/dbraw/zinc/81/47/54/568814754.db2.gz YMDBKGPNRGELAK-NRFANRHFSA-N 0 1 411.550 2.684 40 0 HFABMN Cc1nc2cc([C@H]3CCCN3CC3CC3)nn2c(C)c1CCC(=O)N1CCOCC1 ZINC000257335847 568815067 /nfs/dbraw/zinc/81/50/67/568815067.db2.gz YMDBKGPNRGELAK-OAQYLSRUSA-N 0 1 411.550 2.684 40 0 HFABMN Cc1c(F)cccc1CN1C[C@H]2Cn3cc(C(=O)NC4CCCCC4)c(=O)nc3[C@@H]2C1 ZINC000306128143 568891045 /nfs/dbraw/zinc/89/10/45/568891045.db2.gz GRHQVUGYRHNTSR-PKOBYXMFSA-N 0 1 424.520 2.983 40 0 HFABMN CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)c3cccnc3)N2Cc2ccccc21 ZINC000306138195 568900147 /nfs/dbraw/zinc/90/01/47/568900147.db2.gz RSCSVHFQFOKRSC-WOJBJXKFSA-N 0 1 407.518 2.783 40 0 HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000016025110 569026251 /nfs/dbraw/zinc/02/62/51/569026251.db2.gz XMNCZZGJRFMWAK-GIDBNXFQSA-N 0 1 421.950 2.612 40 0 HFABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 ZINC000007361321 569337318 /nfs/dbraw/zinc/33/73/18/569337318.db2.gz BRPLTMMQIGAOCY-UHFFFAOYSA-N 0 1 420.487 2.749 40 0 HFABMN N[C@]1(CO)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514327 569387952 /nfs/dbraw/zinc/38/79/52/569387952.db2.gz CJEHKWYEIGCAAD-ARFHVFGLSA-N 0 1 416.724 2.732 40 0 HFABMN CCOc1ccc(-n2nc(C(=O)[O-])c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000256046919 569396839 /nfs/dbraw/zinc/39/68/39/569396839.db2.gz JAKWKVCLTSWMPU-UHFFFAOYSA-N 0 1 407.474 2.686 40 0 HFABMN CCOc1ccccc1-n1nc(C(=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000256048480 569396953 /nfs/dbraw/zinc/39/69/53/569396953.db2.gz TZBRIWDLVQBBRK-UHFFFAOYSA-N 0 1 407.474 2.686 40 0 HFABMN CN(C)CCNc1nc(-c2ccncc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000328995272 571304667 /nfs/dbraw/zinc/30/46/67/571304667.db2.gz JHYBCJOFMAZEOT-UHFFFAOYSA-N 0 1 421.402 3.508 40 0 HFABMN Cc1nnc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccnn3C)nc(C)n2)s1 ZINC000585291399 571310378 /nfs/dbraw/zinc/31/03/78/571310378.db2.gz CDHLLTZFSAVUKK-IWAYRVGRSA-N 0 1 424.534 3.189 40 0 HFABMN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2nc3ccccc3n2C)COC1 ZINC000096112755 291221640 /nfs/dbraw/zinc/22/16/40/291221640.db2.gz MZEGTKXGBQPJOC-HNNXBMFYSA-N 0 1 405.458 2.571 40 0 biogenic,in-vitro HFABMN O=S(=O)(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCc2ccccc21)c1ccccc1 ZINC000008635722 291230132 /nfs/dbraw/zinc/23/01/32/291230132.db2.gz FYTRNYKTXLVSQS-PWRODBHTSA-N 0 1 411.571 2.738 40 0 biogenic,in-vitro HFABMN O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCc2ccccc21)c1ccccc1 ZINC000008635722 291230133 /nfs/dbraw/zinc/23/01/33/291230133.db2.gz FYTRNYKTXLVSQS-PWRODBHTSA-N 0 1 411.571 2.738 40 0 biogenic,in-vitro HFABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(C)c(C)c2)c1 ZINC000408570624 557467588 /nfs/dbraw/zinc/46/75/88/557467588.db2.gz XFMKITQVJOHAEP-UHFFFAOYSA-N 0 1 411.502 2.859 40 0 HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000035375271 557531535 /nfs/dbraw/zinc/53/15/35/557531535.db2.gz NJGAUVRUGGJWAC-ITIYDSSPSA-N 0 1 421.472 2.587 40 0 HFABMN C[C@@H]1CCCN(C(=O)CN2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@@H]1C ZINC000036719612 557850074 /nfs/dbraw/zinc/85/00/74/557850074.db2.gz BSYPWKCGXZDDHV-QRVBRYPASA-N 0 1 400.567 2.796 40 0 HFABMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2nc(C)c3c(n2)CCCC3=O)n1 ZINC000013635907 558554322 /nfs/dbraw/zinc/55/43/22/558554322.db2.gz VDOZDRFTIKOOQV-UHFFFAOYSA-N 0 1 424.486 2.829 40 0 HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2CC(C)C)C(=O)Nc2c1cccc2Cl ZINC000035877132 558795632 /nfs/dbraw/zinc/79/56/32/558795632.db2.gz SGNGLVARWSWUSU-DPGRJMCKSA-N 0 1 403.910 2.905 40 0 HFABMN Cc1ccc(S(=O)(=O)N2CCC(c3[nH]ncc3C(=O)N3CCCC3)CC2)cc1 ZINC000019211344 558848524 /nfs/dbraw/zinc/84/85/24/558848524.db2.gz XTCSBMNEVICKAW-UHFFFAOYSA-N 0 1 402.520 2.522 40 0 HFABMN O=c1cc([C@@H]2CCN(Cc3cccc(Cl)c3Cl)C2)nc(N2CCOCC2)[nH]1 ZINC000019292609 558864547 /nfs/dbraw/zinc/86/45/47/558864547.db2.gz NGRRAISCSPATEA-CYBMUJFWSA-N 0 1 409.317 2.903 40 0 HFABMN O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019370108 558878149 /nfs/dbraw/zinc/87/81/49/558878149.db2.gz PGPNKPYMVIHMHI-GOSISDBHSA-N 0 1 406.530 2.629 40 0 HFABMN CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)[nH]n1 ZINC000019451839 558889923 /nfs/dbraw/zinc/88/99/23/558889923.db2.gz FAMAZUJQSQWWGI-IBGZPJMESA-N 0 1 412.538 2.750 40 0 HFABMN CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)[nH]n1 ZINC000019451839 558889926 /nfs/dbraw/zinc/88/99/26/558889926.db2.gz FAMAZUJQSQWWGI-IBGZPJMESA-N 0 1 412.538 2.750 40 0 HFABMN CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccccc2OC)CC3)C1 ZINC000019501125 558898934 /nfs/dbraw/zinc/89/89/34/558898934.db2.gz LFCLFRRBCNJCSV-KRWDZBQOSA-N 0 1 410.518 2.865 40 0 HFABMN CCn1cc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)cn1 ZINC000019524858 558906076 /nfs/dbraw/zinc/90/60/76/558906076.db2.gz GLKDNCOHXIMQKZ-INIZCTEOSA-N 0 1 424.549 2.719 40 0 HFABMN COc1cc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1OC ZINC000019549684 558914408 /nfs/dbraw/zinc/91/44/08/558914408.db2.gz ODIQBJYSFQPGKZ-KRWDZBQOSA-N 0 1 422.485 2.847 40 0 HFABMN Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C(C)C)CC2 ZINC000019580394 558936089 /nfs/dbraw/zinc/93/60/89/558936089.db2.gz XFTNJLOPEHSXCO-LJQANCHMSA-N 0 1 413.522 2.850 40 0 HFABMN Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C(C)C)CC2 ZINC000019580394 558936092 /nfs/dbraw/zinc/93/60/92/558936092.db2.gz XFTNJLOPEHSXCO-LJQANCHMSA-N 0 1 413.522 2.850 40 0 HFABMN COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)no1 ZINC000019593542 558944621 /nfs/dbraw/zinc/94/46/21/558944621.db2.gz RWOOXNZGDYCWCV-KRWDZBQOSA-N 0 1 424.501 2.987 40 0 HFABMN Cc1nc([C@H]2CCN(C(=O)CN(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072351967 558948099 /nfs/dbraw/zinc/94/80/99/558948099.db2.gz LZYZYLBNUJIXEV-AWEZNQCLSA-N 0 1 401.898 2.568 40 0 HFABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(C(=O)CCc1ccccc1OC)C2 ZINC000019708840 558971526 /nfs/dbraw/zinc/97/15/26/558971526.db2.gz QKODWCVMKQDYCR-GOSISDBHSA-N 0 1 423.561 2.854 40 0 HFABMN COc1ccccc1CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711326 558973716 /nfs/dbraw/zinc/97/37/16/558973716.db2.gz GAOJSMLPFOXGDU-SFHVURJKSA-N 0 1 409.534 2.811 40 0 HFABMN C[NH+]1CCN(C(=O)COc2cc(OCc3ccc(Cl)cc3)ccc2C(=O)[O-])CC1 ZINC000585267109 559112813 /nfs/dbraw/zinc/11/28/13/559112813.db2.gz HXFAJYIBDBOJRY-UHFFFAOYSA-N 0 1 418.877 2.770 40 0 HFABMN CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)N(C)C1=S ZINC000409046619 560669647 /nfs/dbraw/zinc/66/96/47/560669647.db2.gz RWRUZHBNIPKUKK-WTKPLQERSA-N 0 1 406.099 2.947 40 0 HFABMN CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1F)C(=O)OC ZINC000036584766 560882001 /nfs/dbraw/zinc/88/20/01/560882001.db2.gz LJWIGFTUPIHQJP-LLSQANQASA-N 0 1 418.469 2.802 40 0 HFABMN COc1cc(C(=O)Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)cc(OC)c1OC ZINC000005634287 568453254 /nfs/dbraw/zinc/45/32/54/568453254.db2.gz QVMGNNGLEDCOGA-UHFFFAOYSA-N 0 1 414.443 2.773 40 0 HFABMN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c(OC)c1 ZINC000057315677 568491937 /nfs/dbraw/zinc/49/19/37/568491937.db2.gz GVAJCSYDCUEOQR-UHFFFAOYSA-N 0 1 414.531 2.582 40 0 HFABMN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1CCCN1CCOCC1 ZINC000222733775 568525019 /nfs/dbraw/zinc/52/50/19/568525019.db2.gz UEUOPSCTQTVPMR-SFTDATJTSA-N 0 1 413.591 2.825 40 0 HFABMN COc1ccc(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1OC ZINC000222978025 568532898 /nfs/dbraw/zinc/53/28/98/568532898.db2.gz WVGAFWIMEFEGHI-UHFFFAOYSA-N 0 1 420.516 2.560 40 0 HFABMN CCOc1ccc(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000223001768 568533990 /nfs/dbraw/zinc/53/39/90/568533990.db2.gz IUUSHJUTMWHWLN-UHFFFAOYSA-N 0 1 404.517 2.941 40 0 HFABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(Br)cc2F)s1 ZINC000223543595 568551302 /nfs/dbraw/zinc/55/13/02/568551302.db2.gz XGOJGXWEQMTYQZ-UHFFFAOYSA-N 0 1 423.289 2.835 40 0 HFABMN O=C(Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1)c1ccccc1 ZINC000225151731 568618364 /nfs/dbraw/zinc/61/83/64/568618364.db2.gz TWHOSEJDPCXOST-UHFFFAOYSA-N 0 1 402.501 2.702 40 0 HFABMN COC(=O)CSc1nnc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)s1 ZINC000225475792 568641400 /nfs/dbraw/zinc/64/14/00/568641400.db2.gz ZCIZCFOVUMVISA-ZDUSSCGKSA-N 0 1 424.523 2.793 40 0 HFABMN CNCc1cc(C)nc(SC2=N[C@@H](c3ccccc3)C(C(N)=O)=C(C)N2)c1C#N ZINC000033646466 568697981 /nfs/dbraw/zinc/69/79/81/568697981.db2.gz SFPDSHYDTZKSOU-SFHVURJKSA-N 0 1 406.515 2.533 40 0 HFABMN O=C(CCOc1cccc(F)c1)N1CCC(c2[nH]ncc2C(=O)N2CCCC2)CC1 ZINC000257255060 568791771 /nfs/dbraw/zinc/79/17/71/568791771.db2.gz KFYFIDCHNWNXBV-UHFFFAOYSA-N 0 1 414.481 2.960 40 0 HFABMN c1cc2ccncc2c(C[C@@H]2COCCN(Cc3ccnc(N4CCOCC4)n3)C2)c1 ZINC000257318179 568809763 /nfs/dbraw/zinc/80/97/63/568809763.db2.gz VMUIODDEDWTGJT-IBGZPJMESA-N 0 1 419.529 2.553 40 0 HFABMN O=C(Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000003140434 569024474 /nfs/dbraw/zinc/02/44/74/569024474.db2.gz CKKYISFXTLZASO-UHFFFAOYSA-N 0 1 405.193 2.962 40 0 HFABMN CCCCOc1ccc(S(=O)(=O)Nc2c(C)nc(N3CCOCC3)nc2C)cc1 ZINC000224302935 569057012 /nfs/dbraw/zinc/05/70/12/569057012.db2.gz FUHMHYCCDQTHNS-UHFFFAOYSA-N 0 1 420.535 2.910 40 0 HFABMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000006709066 569334443 /nfs/dbraw/zinc/33/44/43/569334443.db2.gz CYNWVUNAKBBZLM-XNTDXEJSSA-N 0 1 411.439 2.997 40 0 HFABMN CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000019704747 569347754 /nfs/dbraw/zinc/34/77/54/569347754.db2.gz JUWJYNWSFKNIMP-UHFFFAOYSA-N 0 1 409.509 2.954 40 0 HFABMN CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)CC1 ZINC000049155290 291215274 /nfs/dbraw/zinc/21/52/74/291215274.db2.gz JKGFOGUBWOIRQA-FQEVSTJZSA-N 0 1 419.489 2.736 40 0 biogenic,in-vitro HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCSC)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000035375140 557530637 /nfs/dbraw/zinc/53/06/37/557530637.db2.gz QISVXPODGKNSJE-AYQNDCLTSA-N 0 1 421.950 2.612 40 0 HFABMN CN1C(=O)N(c2ccccc2)C2(CCN(C[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000005941812 557681611 /nfs/dbraw/zinc/68/16/11/557681611.db2.gz WOPZHACYQXZLKH-GOSISDBHSA-N 0 1 407.470 2.760 40 0 HFABMN CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1)C(=O)OC ZINC000036589939 557849348 /nfs/dbraw/zinc/84/93/48/557849348.db2.gz PLYWYHNJVHERHO-XVSDVWIESA-N 0 1 400.479 2.663 40 0 HFABMN CCc1ncc(CN2CCC(Cc3ncncc3C(=O)NC3CCCC3)CC2)cn1 ZINC000019757165 558274776 /nfs/dbraw/zinc/27/47/76/558274776.db2.gz JBWCJQNFOJMWTM-UHFFFAOYSA-N 0 1 408.550 2.956 40 0 HFABMN COc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cnc4ccccc4n2)C3)c(OC)n1 ZINC000012181034 558342669 /nfs/dbraw/zinc/34/26/69/558342669.db2.gz WBYYBGDZWQDEKM-QSVWGWLCSA-N 0 1 421.501 2.557 40 0 HFABMN CC(C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019085538 558841253 /nfs/dbraw/zinc/84/12/53/558841253.db2.gz UKWYNURFYBUWIP-OAHLLOKOSA-N 0 1 400.548 2.752 40 0 HFABMN Cn1nc(-c2ccccc2F)cc1CN1CCC(NC(=O)CCn2cccn2)CC1 ZINC000019288936 558861839 /nfs/dbraw/zinc/86/18/39/558861839.db2.gz NYENREDCEGZIFA-UHFFFAOYSA-N 0 1 410.497 2.594 40 0 HFABMN O=C(CCCc1ccccn1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375633 558881670 /nfs/dbraw/zinc/88/16/70/558881670.db2.gz UEGLUSATDMOSNW-MRXNPFEDSA-N 0 1 412.515 2.665 40 0 HFABMN C[C@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000019497303 558896216 /nfs/dbraw/zinc/89/62/16/558896216.db2.gz ZHGSKTCQZABWDY-IRXDYDNUSA-N 0 1 410.518 2.608 40 0 HFABMN COc1ccccc1CN1CCN(Cc2c(C)n(CC(N)=O)c3ccccc32)CC1 ZINC000019581872 558937128 /nfs/dbraw/zinc/93/71/28/558937128.db2.gz LSTDAOCBUPUCEX-UHFFFAOYSA-N 0 1 406.530 2.761 40 0 HFABMN CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cn1cnc2ccccc21 ZINC000019583473 558938095 /nfs/dbraw/zinc/93/80/95/558938095.db2.gz AJELGIRUVIUMJD-UHFFFAOYSA-N 0 1 420.492 2.917 40 0 HFABMN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)c3snnc3C)C2)n[nH]1 ZINC000072371509 558958334 /nfs/dbraw/zinc/95/83/34/558958334.db2.gz AQQWKHIBKZTFRV-AWEZNQCLSA-N 0 1 413.503 2.829 40 0 HFABMN CN(C)c1ncc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)cn1 ZINC000072371547 558958458 /nfs/dbraw/zinc/95/84/58/558958458.db2.gz GOXMDVKXYUEKNL-HNNXBMFYSA-N 0 1 424.480 2.656 40 0 HFABMN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4no[nH]c4=O)C3)n[nH]2)cc1 ZINC000072371803 558958952 /nfs/dbraw/zinc/95/89/52/558958952.db2.gz QXBJCEACPUEHNF-OAHLLOKOSA-N 0 1 411.462 2.873 40 0 HFABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)c4no[nH]c4=O)C3)n[nH]2)cc1 ZINC000072371804 558959167 /nfs/dbraw/zinc/95/91/67/558959167.db2.gz QXBJCEACPUEHNF-HNNXBMFYSA-N 0 1 411.462 2.873 40 0 HFABMN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373061 558960903 /nfs/dbraw/zinc/96/09/03/558960903.db2.gz CFNKKKRZSVULGS-OTWHNJEPSA-N 0 1 400.567 2.654 40 0 HFABMN CNc1cc(Nc2nccc([C@H]3CCCN(Cc4cccnc4NC)C3)n2)ncn1 ZINC000072378086 558967323 /nfs/dbraw/zinc/96/73/23/558967323.db2.gz JMDCQNYEZKOGNP-HNNXBMFYSA-N 0 1 405.510 2.868 40 0 HFABMN COc1cccc(CCN2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3S2(=O)=O)c1 ZINC000096145501 559097292 /nfs/dbraw/zinc/09/72/92/559097292.db2.gz JAZAXTMXHRHVSL-IFMALSPDSA-N 0 1 415.559 2.559 40 0 HFABMN CN1CCCN(C(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)CC1 ZINC000096147691 559098686 /nfs/dbraw/zinc/09/86/86/559098686.db2.gz DAWBGKULZAUQRB-UHFFFAOYSA-N 0 1 408.550 2.733 40 0 HFABMN COCCN1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn32)CC1 ZINC000096155905 559099955 /nfs/dbraw/zinc/09/99/55/559099955.db2.gz JHZKSAZAFRRLFZ-UHFFFAOYSA-N 0 1 412.559 2.742 40 0 HFABMN CCc1[nH+]ccn1CC(=O)N[C@@H](Cc1cc(=O)n2[n-]c(C)cc2n1)c1ccc(F)cc1 ZINC000100220682 559132231 /nfs/dbraw/zinc/13/22/31/559132231.db2.gz RZYMDXCJTFHXDF-SFHVURJKSA-N 0 1 422.464 2.742 40 0 HFABMN CCc1cc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CC[N@H+](C(C)C)C4)no1 ZINC000100234310 559132892 /nfs/dbraw/zinc/13/28/92/559132892.db2.gz FLTJXEDDPQXHFX-LJQANCHMSA-N 0 1 424.505 2.729 40 0 HFABMN COc1ccc(CNC(=O)CN2CCC[C@](O)(COc3ccccc3F)CC2)cc1 ZINC000257231342 559283930 /nfs/dbraw/zinc/28/39/30/559283930.db2.gz GGGRQRPVOJLKPE-HSZRJFAPSA-N 0 1 416.493 2.747 40 0 HFABMN O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)C1CCCC1 ZINC000257248926 559284467 /nfs/dbraw/zinc/28/44/67/559284467.db2.gz JFVHPLTVWNQRQG-WPFOTENUSA-N 0 1 400.563 2.867 40 0 HFABMN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2CCOCC2)CC1 ZINC000004093277 560601007 /nfs/dbraw/zinc/60/10/07/560601007.db2.gz LRJLMHSVRDCYNC-UHFFFAOYSA-N 0 1 410.440 2.859 40 0 HFABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000223824052 568560001 /nfs/dbraw/zinc/56/00/01/568560001.db2.gz RUVCZKHNUKZLHI-MRXNPFEDSA-N 0 1 402.501 2.873 40 0 HFABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1 ZINC000223826920 568560101 /nfs/dbraw/zinc/56/01/01/568560101.db2.gz XNVWUGODKMGRJX-UHFFFAOYSA-N 0 1 409.320 2.918 40 0 HFABMN COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000223962857 568564704 /nfs/dbraw/zinc/56/47/04/568564704.db2.gz NKFSEPCLVUMIKL-UHFFFAOYSA-N 0 1 407.444 2.686 40 0 HFABMN CCOc1cc([C@H](N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)ccc1OC ZINC000095534372 568635838 /nfs/dbraw/zinc/63/58/38/568635838.db2.gz CPOAAHGUQGPGFR-SFHVURJKSA-N 0 1 414.462 2.953 40 0 HFABMN O=C(c1ccn[nH]1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257214910 568780364 /nfs/dbraw/zinc/78/03/64/568780364.db2.gz CNYCSFITBVAMRL-GOSISDBHSA-N 0 1 401.854 2.621 40 0 HFABMN Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1O ZINC000257240095 568787491 /nfs/dbraw/zinc/78/74/91/568787491.db2.gz HSAKTHPSXNBKOD-YPAWHYETSA-N 0 1 412.534 2.503 40 0 HFABMN CC1CCN(CC(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1 ZINC000257241880 568788068 /nfs/dbraw/zinc/78/80/68/568788068.db2.gz IABAWYAVFKNZFP-QFIPXVFZSA-N 0 1 421.969 2.935 40 0 HFABMN COc1cccc(-c2cc(C(=O)N3CC[C@@H](c4ccc5c(N)[nH]nc5n4)C3)no2)c1 ZINC000257258471 568792393 /nfs/dbraw/zinc/79/23/93/568792393.db2.gz KUBDFMLLTKPZPG-CYBMUJFWSA-N 0 1 404.430 2.833 40 0 HFABMN Cc1noc(C)c1S(=O)(=O)N1CC[C@H](c2cc(Nc3ncccn3)cc(C)n2)C1 ZINC000257266859 568794651 /nfs/dbraw/zinc/79/46/51/568794651.db2.gz MEWNETRFPRPFMA-HNNXBMFYSA-N 0 1 414.491 2.707 40 0 HFABMN Nc1ccc(C(=O)N2CC[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cn1 ZINC000257321241 568810872 /nfs/dbraw/zinc/81/08/72/568810872.db2.gz WAUDWHMRYMAYMR-AWEZNQCLSA-N 0 1 413.428 2.916 40 0 HFABMN CC(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)O[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000306125071 568888029 /nfs/dbraw/zinc/88/80/29/568888029.db2.gz CGEHQONXOYPJSU-JTHBVZDNSA-N 0 1 411.477 2.656 40 0 HFABMN CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000306135257 568897296 /nfs/dbraw/zinc/89/72/96/568897296.db2.gz OLYVURFGGLJBQC-AVRDEDQJSA-N 0 1 407.514 2.525 40 0 HFABMN COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(Cc3ccoc3)CC2)C1 ZINC000306143253 568904691 /nfs/dbraw/zinc/90/46/91/568904691.db2.gz XXCMAUBERXOALS-UHFFFAOYSA-N 0 1 408.462 2.506 40 0 HFABMN O=S(=O)(c1cccc(F)c1)N1CCC2(C[C@H](CN3CCC(F)(F)CC3)O2)CC1 ZINC000306144599 568906173 /nfs/dbraw/zinc/90/61/73/568906173.db2.gz ZJUYLFJEABONQL-MRXNPFEDSA-N 0 1 418.481 2.869 40 0 HFABMN O=S(=O)(Nc1cnc(N2CCN(c3ccccc3)CC2)nc1)c1cccc(F)c1 ZINC000224277466 569056794 /nfs/dbraw/zinc/05/67/94/569056794.db2.gz PXHZTIOWFGCYNK-UHFFFAOYSA-N 0 1 413.478 2.743 40 0 HFABMN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3cn(C)nc3C)C1)O2 ZINC000019583792 569345774 /nfs/dbraw/zinc/34/57/74/569345774.db2.gz RFUNNJPYRIUQHL-FDDCHVKYSA-N 0 1 412.534 2.759 40 0 HFABMN COc1ccc(CC(=O)N2CCC(Cc3c(CN(C)C)cnc4ccnn43)CC2)cc1 ZINC000019704727 569347818 /nfs/dbraw/zinc/34/78/18/569347818.db2.gz KEEIQDZALGENII-UHFFFAOYSA-N 0 1 421.545 2.823 40 0 HFABMN Cc1cccc(C)c1N1C(=O)[C@H]2[C@H]3CCCN3[C@]3(c4ccccc4NC3=O)[C@@H]2C1=O ZINC000009332551 569392507 /nfs/dbraw/zinc/39/25/07/569392507.db2.gz DANMZDFCDJOVND-XMODTWTHSA-N 0 1 401.466 2.735 40 0 HFABMN Nc1cccc(-c2cn(C[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C(=O)Nc3ccccc3)nn2)c1 ZINC000008254282 571038117 /nfs/dbraw/zinc/03/81/17/571038117.db2.gz LSYVPABZQHGDMF-DQLDELGASA-N 0 1 402.502 2.876 40 0 biogenic,in-vitro HFABMN CCc1n[nH]c(-n2ccc3nc4nc(C)nn4c(-c4ccccc4Cl)c3c2=O)n1 ZINC000040398414 522122385 /nfs/dbraw/zinc/12/23/85/522122385.db2.gz OQHNYPWMESMTEB-UHFFFAOYSA-N 0 1 406.837 2.738 40 0 HFABMN CCc1nc(-n2ccc3nc4nc(C)nn4c(-c4ccccc4Cl)c3c2=O)n[nH]1 ZINC000040398414 522122395 /nfs/dbraw/zinc/12/23/95/522122395.db2.gz OQHNYPWMESMTEB-UHFFFAOYSA-N 0 1 406.837 2.738 40 0 HFABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(C)cc2C)c1 ZINC000408569344 557466842 /nfs/dbraw/zinc/46/68/42/557466842.db2.gz NIPVJENCQHZIEL-UHFFFAOYSA-N 0 1 411.502 2.859 40 0 HFABMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1OC ZINC000408588800 557494646 /nfs/dbraw/zinc/49/46/46/557494646.db2.gz ZBDCVQLZFQMHIN-UHFFFAOYSA-N 0 1 408.432 2.851 40 0 HFABMN CC(=O)NCC(=O)N1CCC[C@@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019742817 558263255 /nfs/dbraw/zinc/26/32/55/558263255.db2.gz MFFGNIYRHMZCHK-MRXNPFEDSA-N 0 1 424.480 2.551 40 0 HFABMN CCOc1ccc(CN2CCCC[C@H]2c2nc3c(c(NC)n2)CCNC3)cc1CO ZINC000019754869 558273740 /nfs/dbraw/zinc/27/37/40/558273740.db2.gz ZMGNBLYPQXLRCJ-FQEVSTJZSA-N 0 1 411.550 2.782 40 0 HFABMN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3cnc(C)nc3)C1)O2 ZINC000012235375 558358556 /nfs/dbraw/zinc/35/85/56/558358556.db2.gz FHTPZEHCBQTDKZ-XXBNENTESA-N 0 1 410.518 2.815 40 0 HFABMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c1 ZINC000013848675 558597816 /nfs/dbraw/zinc/59/78/16/558597816.db2.gz GSPLPLLPAUWZPA-UHFFFAOYSA-N 0 1 404.488 2.670 40 0 HFABMN Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[n-]3)C[N@@H+](C(C)C)CC5)CC2)on1 ZINC000019119739 558842882 /nfs/dbraw/zinc/84/28/82/558842882.db2.gz LHFMGYYSYKMLIA-UHFFFAOYSA-N 0 1 424.505 2.518 40 0 HFABMN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCOCC2)CC3)cc1 ZINC000019135327 558846159 /nfs/dbraw/zinc/84/61/59/558846159.db2.gz BPMSTOCXUYKCOU-NRFANRHFSA-N 0 1 422.529 2.593 40 0 HFABMN Cc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCOCC2)CC3)cc1 ZINC000019135327 558846161 /nfs/dbraw/zinc/84/61/61/558846161.db2.gz BPMSTOCXUYKCOU-NRFANRHFSA-N 0 1 422.529 2.593 40 0 HFABMN Cn1nc(-c2ccccn2)cc1CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000019288956 558861773 /nfs/dbraw/zinc/86/17/73/558861773.db2.gz NTKUTEBPQCWYJN-UHFFFAOYSA-N 0 1 407.493 2.945 40 0 HFABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)c2cncc(N)c2)CC1 ZINC000019288914 558861784 /nfs/dbraw/zinc/86/17/84/558861784.db2.gz JQWTVBZJRAPXHM-UHFFFAOYSA-N 0 1 408.481 2.598 40 0 HFABMN COc1ccc(C(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1 ZINC000019288991 558861938 /nfs/dbraw/zinc/86/19/38/558861938.db2.gz PUDLEQYQLGXYKC-UHFFFAOYSA-N 0 1 405.502 2.885 40 0 HFABMN O=C(CCCc1ccncc1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375635 558881688 /nfs/dbraw/zinc/88/16/88/558881688.db2.gz UWLZCUYOMSKZDF-QGZVFWFLSA-N 0 1 412.515 2.665 40 0 HFABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CCCO4)[n-]c(=O)c3C2)CC1 ZINC000019495985 558894887 /nfs/dbraw/zinc/89/48/87/558894887.db2.gz QJWVDGXNVSUGKR-MPIRFRCKSA-N 0 1 414.550 2.962 40 0 HFABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CCCO4)[n-]c(=O)c3C2)CC1 ZINC000019495985 558894889 /nfs/dbraw/zinc/89/48/89/558894889.db2.gz QJWVDGXNVSUGKR-MPIRFRCKSA-N 0 1 414.550 2.962 40 0 HFABMN CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019501123 558898974 /nfs/dbraw/zinc/89/89/74/558898974.db2.gz COURLMFQLYVQTR-KRWDZBQOSA-N 0 1 410.518 2.865 40 0 HFABMN CCc1cc(N2CCOCC2)nc(C2CCN(Cc3ccc(COC)o3)CC2)n1 ZINC000019522578 558903826 /nfs/dbraw/zinc/90/38/26/558903826.db2.gz PYCOCGMLOSKKSB-UHFFFAOYSA-N 0 1 400.523 2.995 40 0 HFABMN CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1n[nH]c2c1CCCC2 ZINC000019583476 558938048 /nfs/dbraw/zinc/93/80/48/558938048.db2.gz PXUQJSQZTGTXHN-UHFFFAOYSA-N 0 1 410.497 2.783 40 0 HFABMN CN(CCc1ccccc1)CC(=O)N1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586205 558939480 /nfs/dbraw/zinc/93/94/80/558939480.db2.gz IIKWZQOORGFMIG-NRFANRHFSA-N 0 1 422.573 2.850 40 0 HFABMN CCS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccn3)CC2)o1 ZINC000072344900 558941341 /nfs/dbraw/zinc/94/13/41/558941341.db2.gz QUHNTVCYCCBINC-SFHVURJKSA-N 0 1 419.551 2.721 40 0 HFABMN COCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019592836 558943886 /nfs/dbraw/zinc/94/38/86/558943886.db2.gz DZVFWHGFBYVIFC-LJQANCHMSA-N 0 1 402.539 2.821 40 0 HFABMN COCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019592836 558943888 /nfs/dbraw/zinc/94/38/88/558943888.db2.gz DZVFWHGFBYVIFC-LJQANCHMSA-N 0 1 402.539 2.821 40 0 HFABMN COc1nc2ccccc2nc1CCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000019594876 558945549 /nfs/dbraw/zinc/94/55/49/558945549.db2.gz WCFLLHBXUSUJEC-UHFFFAOYSA-N 0 1 405.502 2.747 40 0 HFABMN O=C(CN1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1)N1CCOCC1 ZINC000072359378 558955013 /nfs/dbraw/zinc/95/50/13/558955013.db2.gz BHUKKBLJBPATBL-UHFFFAOYSA-N 0 1 400.910 2.835 40 0 HFABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2 ZINC000019708827 558971519 /nfs/dbraw/zinc/97/15/19/558971519.db2.gz NASKOXRUYHDTQO-INIZCTEOSA-N 0 1 409.534 2.843 40 0 HFABMN CN(Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)Cc1ccc(O)cc1)CC2 ZINC000585105098 559027516 /nfs/dbraw/zinc/02/75/16/559027516.db2.gz XYJPUWQDRKLHSJ-QFIPXVFZSA-N 0 1 409.530 2.859 40 0 HFABMN COCCN1CC2(CCN(Cc3ccoc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037172 559091035 /nfs/dbraw/zinc/09/10/35/559091035.db2.gz VLBOFSFYEZRFPP-UHFFFAOYSA-N 0 1 420.531 2.592 40 0 HFABMN CCN1CC2(CCN(Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145133 559097091 /nfs/dbraw/zinc/09/70/91/559097091.db2.gz AFBVKVZXKAYWFG-UHFFFAOYSA-N 0 1 401.532 2.767 40 0 HFABMN O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1)c1ccccc1F ZINC000585262300 559110766 /nfs/dbraw/zinc/11/07/66/559110766.db2.gz MISPBSHWWYJPLH-CGXNFDGLSA-N 0 1 402.441 2.740 40 0 HFABMN CCCOc1cc2c(cc1C[N@H+]1CCc3nc4cc(C)[n-]n4c(=O)c3CC1)OCO2 ZINC000100775122 559140446 /nfs/dbraw/zinc/14/04/46/559140446.db2.gz QAZADSKLPHCKNB-UHFFFAOYSA-N 0 1 410.474 2.862 40 0 HFABMN COc1ccccc1CNC(=O)CN1CCC[C@](O)(COc2ccccc2F)CC1 ZINC000257325513 559283132 /nfs/dbraw/zinc/28/31/32/559283132.db2.gz WTFSNOOUBHHYNC-HSZRJFAPSA-N 0 1 416.493 2.747 40 0 HFABMN Cc1cccc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)n1 ZINC000257325508 559283228 /nfs/dbraw/zinc/28/32/28/559283228.db2.gz WTFIQBKWSOSMMZ-SONWIMMPSA-N 0 1 423.557 2.694 40 0 HFABMN O=C(COc1ccc(/C=C2/NC(=O)NC2=O)cc1Br)Nc1ccccc1 ZINC000409058744 560670788 /nfs/dbraw/zinc/67/07/88/560670788.db2.gz SUMVWFDZLQEIKX-NTEUORMPSA-N 0 1 416.231 2.647 40 0 HFABMN CCN1CCN([C@@H](c2nnnn2C(C)(C)CC)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019499639 560873426 /nfs/dbraw/zinc/87/34/26/560873426.db2.gz ZYRXIBDPTCUPIC-HXUWFJFHSA-N 0 1 423.565 2.695 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)s1 ZINC000222844753 568528174 /nfs/dbraw/zinc/52/81/74/568528174.db2.gz VEDIHQXILGCCHP-LBPRGKRZSA-N 0 1 410.521 2.776 40 0 HFABMN O=C(Nc1nnc(S(=O)(=O)NCCSCc2ccco2)s1)c1ccccc1 ZINC000223113382 568537995 /nfs/dbraw/zinc/53/79/95/568537995.db2.gz ANCJYAJILFGFOQ-UHFFFAOYSA-N 0 1 424.529 2.595 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(OC(C)C)cc2)s1 ZINC000223265488 568543298 /nfs/dbraw/zinc/54/32/98/568543298.db2.gz IULWSQVKCIBLNC-UHFFFAOYSA-N 0 1 412.537 2.585 40 0 HFABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 ZINC000223953685 568564319 /nfs/dbraw/zinc/56/43/19/568564319.db2.gz VVXYEXDLNJORPW-UHFFFAOYSA-N 0 1 404.444 2.548 40 0 HFABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCSC(C)(C)C)s2)cc1 ZINC000224403477 568580374 /nfs/dbraw/zinc/58/03/74/568580374.db2.gz HOMVXVXTPDWISH-UHFFFAOYSA-N 0 1 414.578 2.909 40 0 HFABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000225196967 568622100 /nfs/dbraw/zinc/62/21/00/568622100.db2.gz DZRJJZSDQSCDKM-UHFFFAOYSA-N 0 1 414.483 2.963 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)s1 ZINC000225783765 568674705 /nfs/dbraw/zinc/67/47/05/568674705.db2.gz BAYOGLUJDJJWCB-UHFFFAOYSA-N 0 1 412.537 2.585 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)s1 ZINC000225873187 568682656 /nfs/dbraw/zinc/68/26/56/568682656.db2.gz YUDWMGGPNAVHNQ-UHFFFAOYSA-N 0 1 402.501 2.955 40 0 HFABMN COc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)NC(=O)CCC[C@H]34)n[nH]2)c(OC)c1 ZINC000257236186 568786592 /nfs/dbraw/zinc/78/65/92/568786592.db2.gz HBCUEQIEJZUKNA-UGKGYDQZSA-N 0 1 412.490 2.757 40 0 HFABMN Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](c2cc(Nc3ncccn3)cc(C)n2)C1 ZINC000257266860 568794602 /nfs/dbraw/zinc/79/46/02/568794602.db2.gz MEWNETRFPRPFMA-OAHLLOKOSA-N 0 1 414.491 2.707 40 0 HFABMN CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000257284100 568799577 /nfs/dbraw/zinc/79/95/77/568799577.db2.gz PBGAWIBFNQENEW-GFCCVEGCSA-N 0 1 420.498 2.899 40 0 HFABMN Cc1ccc(C[C@H]2CC[C@@H]3CN(CC(=O)Nc4ccc5c(c4)oc(=O)n5C)C[C@H]23)nc1 ZINC000257295048 568803023 /nfs/dbraw/zinc/80/30/23/568803023.db2.gz QWSIEZDOFDUMNK-MBOZVWFJSA-N 0 1 420.513 2.974 40 0 HFABMN O=C(c1ccccn1)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000257313699 568808262 /nfs/dbraw/zinc/80/82/62/568808262.db2.gz UTRZJODJQVPLQG-FQEVSTJZSA-N 0 1 414.412 2.918 40 0 HFABMN Cc1noc(C)c1CN1CC[C@]2(C1)COCc1cnc(N3CCC(F)(F)CC3)nc12 ZINC000306137477 568899414 /nfs/dbraw/zinc/89/94/14/568899414.db2.gz QXLSWWIOUDPNSY-FQEVSTJZSA-N 0 1 419.476 2.991 40 0 HFABMN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306144528 568905890 /nfs/dbraw/zinc/90/58/90/568905890.db2.gz ZHWCALRBPJPEOD-JTHBVZDNSA-N 0 1 420.538 2.935 40 0 HFABMN CCc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCC2)n1 ZINC000329072264 568976007 /nfs/dbraw/zinc/97/60/07/568976007.db2.gz ZWUFPYYKPVWKTB-UHFFFAOYSA-N 0 1 401.536 2.604 40 0 HFABMN CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br ZINC000007468812 569337568 /nfs/dbraw/zinc/33/75/68/569337568.db2.gz LJXJORBJHJYHIT-UKTHLTGXSA-N 0 1 406.280 2.920 40 0 HFABMN O=C(CN1CCCN(Cc2cccc(F)c2)CC1)N1CCC[C@@H](c2csnn2)C1 ZINC000019293854 569345412 /nfs/dbraw/zinc/34/54/12/569345412.db2.gz IAJCKCYBIUDIQZ-GOSISDBHSA-N 0 1 417.554 2.591 40 0 HFABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000032587413 569350404 /nfs/dbraw/zinc/35/04/04/569350404.db2.gz LHUYNBIMDMOAMD-UHFFFAOYSA-N 0 1 415.851 2.953 40 0 HFABMN COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000033859982 569351492 /nfs/dbraw/zinc/35/14/92/569351492.db2.gz SPMFVELMLYHZHE-WUXMJOGZSA-N 0 1 401.331 2.707 40 0 HFABMN COc1ccc(CN2C[C@@H]3CN(C(=O)COc4ccccc4)CCN3C(C)(C)C2)cc1 ZINC000253402180 291225152 /nfs/dbraw/zinc/22/51/52/291225152.db2.gz NZZARFJDMROALP-OAQYLSRUSA-N 0 1 423.557 2.881 40 0 biogenic,in-vitro HFABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN21 ZINC000253406910 291226478 /nfs/dbraw/zinc/22/64/78/291226478.db2.gz VGCPTFBPKGXMAB-GGAORHGYSA-N 0 1 413.949 2.733 40 0 biogenic,in-vitro HFABMN O=C([O-])CCC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675856 291229401 /nfs/dbraw/zinc/22/94/01/291229401.db2.gz CUKHECSNVGJTIJ-AWEZNQCLSA-N 0 1 401.810 2.604 40 0 biogenic,in-vitro HFABMN Cc1nc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765331 527077093 /nfs/dbraw/zinc/07/70/93/527077093.db2.gz BSOAGSCYLIQDHH-INIZCTEOSA-N 0 1 422.464 2.597 40 0 HFABMN Cc1nc([C@@H]2CCCN(CCO)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019741638 558262231 /nfs/dbraw/zinc/26/22/31/558262231.db2.gz CDZXKRZKFMYYDG-HXUWFJFHSA-N 0 1 408.546 2.869 40 0 HFABMN Cc1nc2ccc(NC(=O)Cn3cccc(C(=O)NC4CCCCC4)c3=O)cc2[nH]1 ZINC000019749967 558270154 /nfs/dbraw/zinc/27/01/54/558270154.db2.gz SNBOVTGSPYZQLX-UHFFFAOYSA-N 0 1 407.474 2.734 40 0 HFABMN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 ZINC000012115949 558328072 /nfs/dbraw/zinc/32/80/72/558328072.db2.gz PHKOSYGQLMAEQO-MRXNPFEDSA-N 0 1 414.469 2.657 40 0 HFABMN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 ZINC000012115966 558328137 /nfs/dbraw/zinc/32/81/37/558328137.db2.gz YRQXLUJJJMAHTH-UHFFFAOYSA-N 0 1 414.469 2.657 40 0 HFABMN CC(C)(C)C1=NN(CC(=O)NCCc2cnc[nH]2)C(=O)c2cc3ccccc3n2C1 ZINC000012116517 558328582 /nfs/dbraw/zinc/32/85/82/558328582.db2.gz JKYCMUDWUAYHCR-UHFFFAOYSA-N 0 1 406.490 2.581 40 0 HFABMN COc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4C(C)=O)CC2)c1 ZINC000036741183 558801827 /nfs/dbraw/zinc/80/18/27/558801827.db2.gz RKMXCJZZJYFEFJ-XMMPIXPASA-N 0 1 409.530 2.850 40 0 HFABMN Cc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019209318 558847919 /nfs/dbraw/zinc/84/79/19/558847919.db2.gz JTMGXNCVQARIMF-ROUUACIJSA-N 0 1 424.545 2.916 40 0 HFABMN Cn1nc(-c2ccccn2)cc1CN1CCC(NC(=O)Cc2ccccc2F)CC1 ZINC000019288960 558861735 /nfs/dbraw/zinc/86/17/35/558861735.db2.gz GFTCBPQTKJZHAK-UHFFFAOYSA-N 0 1 407.493 2.945 40 0 HFABMN O=C(CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)C1CC1)N1CCCCC1 ZINC000019336339 558870148 /nfs/dbraw/zinc/87/01/48/558870148.db2.gz IQEHLUPPBKASRP-YPAWHYETSA-N 0 1 413.537 2.865 40 0 HFABMN CCc1n[nH]c(C(=O)N[C@@H](CC)Cn2nc3c(C)cc4ccccc4n3c2=O)c1C ZINC000019520972 558902206 /nfs/dbraw/zinc/90/22/06/558902206.db2.gz OAWLIGNKGKTRQO-INIZCTEOSA-N 0 1 406.490 2.760 40 0 HFABMN CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019524163 558905469 /nfs/dbraw/zinc/90/54/69/558905469.db2.gz WXLNIKXCUBBGQC-IBGZPJMESA-N 0 1 424.549 2.654 40 0 HFABMN CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019524163 558905473 /nfs/dbraw/zinc/90/54/73/558905473.db2.gz WXLNIKXCUBBGQC-IBGZPJMESA-N 0 1 424.549 2.654 40 0 HFABMN COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1ccnc(N3CCN(C)CC3)c1)cn2C ZINC000019662595 558953586 /nfs/dbraw/zinc/95/35/86/558953586.db2.gz VVXCDVCYBOFKIJ-QGZVFWFLSA-N 0 1 421.545 2.695 40 0 HFABMN CC(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccc(CN(C)Cc3cnc(C)s3)cc2)C1 ZINC000072370199 558956349 /nfs/dbraw/zinc/95/63/49/558956349.db2.gz WIQQRHFNXSVRMO-RTWAWAEBSA-N 0 1 414.575 2.734 40 0 HFABMN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)n1 ZINC000072374931 558963371 /nfs/dbraw/zinc/96/33/71/558963371.db2.gz ACHRLWAPMQYVFH-LJQANCHMSA-N 0 1 424.549 2.579 40 0 HFABMN Cc1nc(CN(C)C(=O)c2cc(C3CC3)[nH]n2)nc2c1CCC(=O)N2CCC(C)C ZINC000019698081 558965738 /nfs/dbraw/zinc/96/57/38/558965738.db2.gz OEVIUYDNXIMQGR-UHFFFAOYSA-N 0 1 410.522 2.983 40 0 HFABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(C(=O)CCc1ccc(OC)cc1)C2 ZINC000019708863 558971452 /nfs/dbraw/zinc/97/14/52/558971452.db2.gz KQRYZQUMMQRXOA-SFHVURJKSA-N 0 1 423.561 2.854 40 0 HFABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)COc1c(C)cccc1C)CC2 ZINC000019710559 558972551 /nfs/dbraw/zinc/97/25/51/558972551.db2.gz FPPWXLODSXQIOK-SFHVURJKSA-N 0 1 423.561 2.908 40 0 HFABMN CCn1nc([C@@H](C)C(=O)NC2CCN(Cc3ccccn3)CC2)c2ccccc2c1=O ZINC000019716944 558979253 /nfs/dbraw/zinc/97/92/53/558979253.db2.gz JHWMXRSWXLDJQC-QGZVFWFLSA-N 0 1 419.529 2.696 40 0 HFABMN O=C(CN1CCC[C@@](O)(COc2ccccc2F)CC1)NCCOc1ccccc1 ZINC000585273758 559118304 /nfs/dbraw/zinc/11/83/04/559118304.db2.gz QQSDILQUMCCDCP-QHCPKHFHSA-N 0 1 416.493 2.617 40 0 HFABMN O=C(c1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccccc2Cl)[C@@H](O)C1 ZINC000585285802 559121666 /nfs/dbraw/zinc/12/16/66/559121666.db2.gz UDLXHVKHFAIJAB-ICSRJNTNSA-N 0 1 409.313 2.721 40 0 HFABMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000072216531 559169560 /nfs/dbraw/zinc/16/95/60/559169560.db2.gz PQHUSTOYYHCGAD-HXUWFJFHSA-N 0 1 400.548 2.668 40 0 HFABMN Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NCCOc3ccccc3)CC2)cc1 ZINC000257233731 559283896 /nfs/dbraw/zinc/28/38/96/559283896.db2.gz GQMSSPVNFHGYAE-DEOSSOPVSA-N 0 1 412.530 2.786 40 0 HFABMN COC(=O)c1cc(N2CCN(C)CC2)ccc1NCc1cc2cc(C)ccc2[nH]c1=O ZINC000013565088 560813216 /nfs/dbraw/zinc/81/32/16/560813216.db2.gz ARUBYAWQDJHCSV-UHFFFAOYSA-N 0 1 420.513 2.987 40 0 HFABMN COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4cc(F)cc(F)c4)C[C@@H]32)c(OC)n1 ZINC000019594817 560875355 /nfs/dbraw/zinc/87/53/55/560875355.db2.gz PBTAOUAWCZBFLG-YMTYPPQLSA-N 0 1 405.445 2.892 40 0 HFABMN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(S(=O)(=O)NC)ccc1C ZINC000223005469 568533969 /nfs/dbraw/zinc/53/39/69/568533969.db2.gz XZSCAMAZWVBLLW-UHFFFAOYSA-N 0 1 418.924 2.756 40 0 HFABMN COC(=O)CSc1nnc(NC(=O)C2CCN(Cc3ccccc3F)CC2)s1 ZINC000223304816 568544611 /nfs/dbraw/zinc/54/46/11/568544611.db2.gz YJNRIJDWHPKFBK-UHFFFAOYSA-N 0 1 424.523 2.793 40 0 HFABMN CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3ccc(O)c(C(F)(F)F)c3)C1)COC2 ZINC000248145038 568747678 /nfs/dbraw/zinc/74/76/78/568747678.db2.gz VPHCTKOJUJZYCJ-LJQANCHMSA-N 0 1 408.424 2.941 40 0 HFABMN Cn1cc(CN2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000257203332 568777208 /nfs/dbraw/zinc/77/72/08/568777208.db2.gz APORFBLCPNIEID-HXUWFJFHSA-N 0 1 401.898 2.992 40 0 HFABMN Cc1ccc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)cn1 ZINC000257229368 568784793 /nfs/dbraw/zinc/78/47/93/568784793.db2.gz FXVRILFHNXKLMZ-VDKIKQQVSA-N 0 1 423.557 2.694 40 0 HFABMN CN(C)CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 ZINC000257247950 568789735 /nfs/dbraw/zinc/78/97/35/568789735.db2.gz JBHMRZFLVKYAGD-GMAHTHKFSA-N 0 1 423.557 2.893 40 0 HFABMN O=C(c1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000257253239 568791231 /nfs/dbraw/zinc/79/12/31/568791231.db2.gz JYCCOYOTMVNUBH-AWEZNQCLSA-N 0 1 422.938 2.867 40 0 HFABMN O=C(C[C@H]1CN(C(=O)c2ccn[nH]2)CC[C@@H]1Oc1ccc(F)cc1)N1CCCCC1 ZINC000257257722 568792300 /nfs/dbraw/zinc/79/23/00/568792300.db2.gz KQVPJMBSHXPQTI-JXFKEZNVSA-N 0 1 414.481 2.861 40 0 HFABMN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O ZINC000257279733 568798380 /nfs/dbraw/zinc/79/83/80/568798380.db2.gz OHYDJAWRVWSAED-WRWLIDTKSA-N 0 1 401.898 2.925 40 0 HFABMN O=C([O-])COc1ccccc1C[N@H+]1CCC[C@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257306327 568806535 /nfs/dbraw/zinc/80/65/35/568806535.db2.gz STVOFJNSYAKNEA-MRXNPFEDSA-N 0 1 407.474 2.785 40 0 HFABMN CCOc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1 ZINC000224344623 569059440 /nfs/dbraw/zinc/05/94/40/569059440.db2.gz LCNXKXFPUHLXRZ-UHFFFAOYSA-N 0 1 405.524 2.732 40 0 HFABMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)NC2=S)c1 ZINC000005897606 569329112 /nfs/dbraw/zinc/32/91/12/569329112.db2.gz WTQZTQOFFCTSMV-XMHGGMMESA-N 0 1 407.495 2.663 40 0 HFABMN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000019462439 569345584 /nfs/dbraw/zinc/34/55/84/569345584.db2.gz CFNKKKRZSVULGS-GUDVDZBRSA-N 0 1 400.567 2.654 40 0 HFABMN COCCC(=O)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccc3OC)n2)C1 ZINC000019704958 569347785 /nfs/dbraw/zinc/34/77/85/569347785.db2.gz NTAKFKGGMXTICX-MRXNPFEDSA-N 0 1 409.490 2.931 40 0 HFABMN CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)COc2ccccc2)CC1 ZINC000019704735 569347807 /nfs/dbraw/zinc/34/78/07/569347807.db2.gz KZURMGNODIKYHL-UHFFFAOYSA-N 0 1 407.518 2.651 40 0 HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(C)C)N[C@@]21C(=O)Nc2c1cccc2Cl ZINC000005346000 557646077 /nfs/dbraw/zinc/64/60/77/557646077.db2.gz SGNGLVARWSWUSU-IQOPSHNNSA-N 0 1 403.910 2.905 40 0 HFABMN Cc1ncc(CN2CCC(Cc3nn(C)cc3C(=O)NCc3ccccn3)CC2)s1 ZINC000019756316 558274375 /nfs/dbraw/zinc/27/43/75/558274375.db2.gz MVRMYIMVNUVHGD-UHFFFAOYSA-N 0 1 424.574 2.965 40 0 HFABMN COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(Cc3ccnn3C)CC2)cc1 ZINC000019757085 558274717 /nfs/dbraw/zinc/27/47/17/558274717.db2.gz MBVCUHSYXSPYIT-UHFFFAOYSA-N 0 1 422.533 2.869 40 0 HFABMN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000020487248 558376776 /nfs/dbraw/zinc/37/67/76/558376776.db2.gz WAEBLGDOPVAYHB-HNNXBMFYSA-N 0 1 412.471 2.992 40 0 HFABMN Cc1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000020490361 558377643 /nfs/dbraw/zinc/37/76/43/558377643.db2.gz AWYYQYVXMYKBRW-UHFFFAOYSA-N 0 1 418.500 2.528 40 0 HFABMN CN(C)c1ncc(CN2CCC(O)(Cn3ccc4nc(Cl)ccc43)CC2)cn1 ZINC000012325849 558383200 /nfs/dbraw/zinc/38/32/00/558383200.db2.gz OYKMXVLGUNXMIA-UHFFFAOYSA-N 0 1 400.914 2.573 40 0 HFABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c3c(n2)CC(C)(C)CC3=O)cc1 ZINC000020633954 558395511 /nfs/dbraw/zinc/39/55/11/558395511.db2.gz XVWCQGAQJIFXQY-UHFFFAOYSA-N 0 1 402.476 2.699 40 0 HFABMN CCc1nn2c(nnc3c2ccn(-c2n[nH]c(C)n2)c3=O)c1-c1cccc(Cl)c1 ZINC000022610721 558501848 /nfs/dbraw/zinc/50/18/48/558501848.db2.gz JAQVFPZJWNHEGN-UHFFFAOYSA-N 0 1 406.837 2.738 40 0 HFABMN CCc1nn2c(nnc3c2ccn(-c2nc(C)n[nH]2)c3=O)c1-c1cccc(Cl)c1 ZINC000022610721 558501852 /nfs/dbraw/zinc/50/18/52/558501852.db2.gz JAQVFPZJWNHEGN-UHFFFAOYSA-N 0 1 406.837 2.738 40 0 HFABMN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000016024846 558768617 /nfs/dbraw/zinc/76/86/17/558768617.db2.gz PLSQVXLFFNASCY-OAHLLOKOSA-N 0 1 412.471 2.992 40 0 HFABMN CC(=O)c1ccc(S(=O)(=O)N2Cc3ccccc3OC3(CCN(C)CC3)C2)cc1 ZINC000019023185 558838342 /nfs/dbraw/zinc/83/83/42/558838342.db2.gz YMFWJVJJXJZXDM-UHFFFAOYSA-N 0 1 414.527 2.937 40 0 HFABMN C[C@@H](C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)n1ccnc1 ZINC000019079947 558838911 /nfs/dbraw/zinc/83/89/11/558838911.db2.gz ACPZZZOQYSEPIB-INIZCTEOSA-N 0 1 410.497 2.765 40 0 HFABMN Cc1ccc(CN(CCCN2CCOCC2)Cc2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000019216436 558850377 /nfs/dbraw/zinc/85/03/77/558850377.db2.gz PNENKOCZJAPJFT-UHFFFAOYSA-N 0 1 412.534 2.503 40 0 HFABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)CCn2cccn2)CC1 ZINC000019288907 558861790 /nfs/dbraw/zinc/86/17/90/558861790.db2.gz WLARELKQMZTRNY-UHFFFAOYSA-N 0 1 410.497 2.594 40 0 HFABMN Cn1nccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019289139 558862036 /nfs/dbraw/zinc/86/20/36/558862036.db2.gz QVDCLRCVAMVUEC-IBGZPJMESA-N 0 1 424.549 2.974 40 0 HFABMN O=C1CCC[C@]2(CN(Cc3ccc(OCCO)cc3)C[C@H]2c2cc(F)ccc2F)N1 ZINC000019334498 558869478 /nfs/dbraw/zinc/86/94/78/558869478.db2.gz RSDKNKRTWKARHP-NZQKXSOJSA-N 0 1 416.468 2.974 40 0 HFABMN O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000019369968 558878165 /nfs/dbraw/zinc/87/81/65/558878165.db2.gz OJNQMSQXNKPZBC-RTWAWAEBSA-N 0 1 420.557 2.775 40 0 HFABMN O=C(c1ccc(CN2CCCC2)o1)N1CCC(O)(Cn2ncc3ccccc32)CC1 ZINC000019376582 558882524 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YDNDSDSEKWIFSC-UHFFFAOYSA-N 0 1 409.530 2.719 40 0 HFABMN COc1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595106 558945883 /nfs/dbraw/zinc/94/58/83/558945883.db2.gz QJOVQFYDHITVMJ-MRXNPFEDSA-N 0 1 407.474 2.624 40 0 HFABMN COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4cnccn4)n3)C2)cc(OC)c1 ZINC000019595106 558945884 /nfs/dbraw/zinc/94/58/84/558945884.db2.gz QJOVQFYDHITVMJ-MRXNPFEDSA-N 0 1 407.474 2.624 40 0 HFABMN CC(C)(C)c1nc2ccc(NC(=O)COc3nsnc3N3CCOCC3)cc2[nH]1 ZINC000019655173 558948676 /nfs/dbraw/zinc/94/86/76/558948676.db2.gz YBXLSLYPSHVUHJ-UHFFFAOYSA-N 0 1 416.507 2.566 40 0 HFABMN CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H](c1cccc(Cl)c1)N(C)C)C2=O ZINC000019664951 558955312 /nfs/dbraw/zinc/95/53/12/558955312.db2.gz SBUNPTXRDQOLFT-CXJKMVGQSA-N 0 1 420.941 2.560 40 0 HFABMN O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000072373097 558960763 /nfs/dbraw/zinc/96/07/63/558960763.db2.gz ROOULFYYWGUYBD-SBHAEUEKSA-N 0 1 412.578 2.940 40 0 HFABMN CCC(=O)N[C@H]1CN(Cc2cnn(CC)c2)C[C@@H]1c1cn(C)c2ccc(OC)cc12 ZINC000072395729 558974784 /nfs/dbraw/zinc/97/47/84/558974784.db2.gz CRFVZIVOGXETFX-RTWAWAEBSA-N 0 1 409.534 2.898 40 0 HFABMN Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NCCOc3ccccc3)CC2)cc1 ZINC000257233732 559283960 /nfs/dbraw/zinc/28/39/60/559283960.db2.gz GQMSSPVNFHGYAE-XMMPIXPASA-N 0 1 412.530 2.786 40 0 HFABMN CC(=O)Nc1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)cc1 ZINC000004968177 560622409 /nfs/dbraw/zinc/62/24/09/560622409.db2.gz MZEQIBUQKQFRBY-UHFFFAOYSA-N 0 1 410.453 2.804 40 0 HFABMN CN1CCN(c2ccc(NC(=S)NC(=O)COc3ccc(Cl)cc3)cc2)CC1 ZINC000006287926 560740974 /nfs/dbraw/zinc/74/09/74/560740974.db2.gz JQLCQLNIDGETIS-UHFFFAOYSA-N 0 1 418.950 2.984 40 0 HFABMN Cc1cc(C)nc(SCc2cc(=O)[nH]c(N3CCN(Cc4ccccc4)CC3)n2)n1 ZINC000013639804 560826209 /nfs/dbraw/zinc/82/62/09/560826209.db2.gz IEYPQXTWPNJDMP-UHFFFAOYSA-N 0 1 422.558 2.791 40 0 HFABMN CCc1cc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1OC ZINC000223687073 568556306 /nfs/dbraw/zinc/55/63/06/568556306.db2.gz YNGGBSZEOGCLMH-UHFFFAOYSA-N 0 1 409.460 2.862 40 0 HFABMN Cc1ccccc1CSCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 ZINC000224564205 568585268 /nfs/dbraw/zinc/58/52/68/568585268.db2.gz DKIXJBVUFVIBAS-UHFFFAOYSA-N 0 1 414.578 2.653 40 0 HFABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCc2ccc(F)cc2)s1 ZINC000225128567 568616131 /nfs/dbraw/zinc/61/61/31/568616131.db2.gz RTKWHIQJKIAKKW-UHFFFAOYSA-N 0 1 420.491 2.759 40 0 HFABMN C[C@H](COc1ccccc1)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000225308828 568629179 /nfs/dbraw/zinc/62/91/79/568629179.db2.gz SJQUIYGYJSTIPJ-CYBMUJFWSA-N 0 1 418.500 2.536 40 0 HFABMN CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3ccc(O)c(C(F)(F)F)c3)C1)COC2 ZINC000248145034 568747707 /nfs/dbraw/zinc/74/77/07/568747707.db2.gz VPHCTKOJUJZYCJ-IBGZPJMESA-N 0 1 408.424 2.941 40 0 HFABMN Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)n1 ZINC000257288880 568800967 /nfs/dbraw/zinc/80/09/67/568800967.db2.gz PWBFFRMLLAKPJS-QGZVFWFLSA-N 0 1 409.490 2.971 40 0 HFABMN Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)n1 ZINC000257288879 568801122 /nfs/dbraw/zinc/80/11/22/568801122.db2.gz PWBFFRMLLAKPJS-KRWDZBQOSA-N 0 1 409.490 2.971 40 0 HFABMN CN1CCN(C[C@H]2CC3(CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)O2)CC1 ZINC000306131231 568893280 /nfs/dbraw/zinc/89/32/80/568893280.db2.gz JYYJIPITFFSAES-LOIQHOORSA-N 0 1 401.595 2.600 40 0 HFABMN Cc1nc(CN2C[C@]3(CCN(CC4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306131945 568894130 /nfs/dbraw/zinc/89/41/30/568894130.db2.gz KTQZTVHPRXEAQF-HXUWFJFHSA-N 0 1 419.572 2.889 40 0 HFABMN CN(C)C(=O)NC[C@H]1CC2(CCN(Cc3ccc(O)c(C(F)(F)F)c3)CC2)O1 ZINC000306134744 568896695 /nfs/dbraw/zinc/89/66/95/568896695.db2.gz NXBJBBHEWVRRSK-CQSZACIVSA-N 0 1 401.429 2.806 40 0 HFABMN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1cccnc1)C[C@H]2c1cccnc1 ZINC000306144527 568905900 /nfs/dbraw/zinc/90/59/00/568905900.db2.gz ZHWCALRBPJPEOD-GMAHTHKFSA-N 0 1 420.538 2.935 40 0 HFABMN OCCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000328964326 568969867 /nfs/dbraw/zinc/96/98/67/568969867.db2.gz BURZVCHQCJRGBN-UHFFFAOYSA-N 0 1 406.273 2.933 40 0 HFABMN C=S(=O)(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1cccc(C)c1 ZINC000101672645 569016124 /nfs/dbraw/zinc/01/61/24/569016124.db2.gz GKUUFYBITAOZSY-HHHXNRCGSA-N 0 1 416.528 2.997 40 0 HFABMN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)/N=c2/sccn2C)cc1 ZINC000102828161 569050347 /nfs/dbraw/zinc/05/03/47/569050347.db2.gz CPEVWWKTJNDXPX-VHEBQXMUSA-N 0 1 403.485 2.637 40 0 HFABMN Cc1ccc(NC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c(Cl)c1 ZINC000224332265 569058535 /nfs/dbraw/zinc/05/85/35/569058535.db2.gz JMXSYIAIQFBFRS-UHFFFAOYSA-N 0 1 416.913 2.629 40 0 HFABMN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3cn(C)nc3C)C1)O2 ZINC000019583786 569345833 /nfs/dbraw/zinc/34/58/33/569345833.db2.gz RFUNNJPYRIUQHL-WZONZLPQSA-N 0 1 412.534 2.759 40 0 HFABMN COc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCOCC2)c1 ZINC000026117133 569349989 /nfs/dbraw/zinc/34/99/89/569349989.db2.gz SVDHYYQTSDBUIS-UHFFFAOYSA-N 0 1 422.528 2.690 40 0 HFABMN NC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000034688414 569351509 /nfs/dbraw/zinc/35/15/09/569351509.db2.gz XLDZOJADIIAGGP-NTEUORMPSA-N 0 1 422.441 2.937 40 0 HFABMN C=S(=O)(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)c1cccc(C)c1 ZINC000012462867 569401518 /nfs/dbraw/zinc/40/15/18/569401518.db2.gz GKUUFYBITAOZSY-MHZLTWQESA-N 0 1 416.528 2.997 40 0 HFABMN CCCS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635442 291218956 /nfs/dbraw/zinc/21/89/56/291218956.db2.gz NPMXBFJLDRLHJE-UHOSZYNNSA-N 0 1 420.554 2.733 40 0 biogenic,in-vitro HFABMN CCCS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635442 291218958 /nfs/dbraw/zinc/21/89/58/291218958.db2.gz NPMXBFJLDRLHJE-UHOSZYNNSA-N 0 1 420.554 2.733 40 0 biogenic,in-vitro HFABMN CN(C)CCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000003290089 557468372 /nfs/dbraw/zinc/46/83/72/557468372.db2.gz SFQFKPPPYJVQEX-UHFFFAOYSA-N 0 1 413.478 2.700 40 0 HFABMN COc1ccc([C@]2(CN(C)C)COc3cc(OC)c(OC)cc3C2=O)cc1OC ZINC000005886334 557679233 /nfs/dbraw/zinc/67/92/33/557679233.db2.gz KPFMEBHRNITQLZ-QFIPXVFZSA-N 0 1 401.459 2.796 40 0 HFABMN O=C(NC1CCCCC1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298916 557780523 /nfs/dbraw/zinc/78/05/23/557780523.db2.gz SHIYCBJBIOPVFD-RLLQIKCJSA-N 0 1 415.582 2.589 40 0 biogenic,in-vitro HFABMN CCCc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4ncnc4n3)C2)n[nH]1 ZINC000012126654 558331298 /nfs/dbraw/zinc/33/12/98/558331298.db2.gz BNWGJSZSGBPDDS-LLVKDONJSA-N 0 1 407.400 2.839 40 0 HFABMN O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1F ZINC000012366346 558388265 /nfs/dbraw/zinc/38/82/65/558388265.db2.gz JCOGIWJCCOCRJC-VSOVRNOCSA-N 0 1 401.457 2.957 40 0 HFABMN Cc1ccc(CN2CCC(O)(CN3c4ccccc4C(=O)N4CCC[C@H]4C3=O)CC2)o1 ZINC000019216554 558850420 /nfs/dbraw/zinc/85/04/20/558850420.db2.gz AZVZRKWZPISUAR-NRFANRHFSA-N 0 1 423.513 2.566 40 0 HFABMN Cc1cccc(CCNC(=O)c2ccc3c(c2)nc2n(c3=O)CCN(C(C)C)CC2)c1 ZINC000019234893 558854194 /nfs/dbraw/zinc/85/41/94/558854194.db2.gz UVGISQDTRNXINI-UHFFFAOYSA-N 0 1 418.541 2.944 40 0 HFABMN COc1cccc(C(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)c1 ZINC000019288996 558861946 /nfs/dbraw/zinc/86/19/46/558861946.db2.gz DREHLJVJFPMKJM-UHFFFAOYSA-N 0 1 405.502 2.885 40 0 HFABMN O=C(CN1CCCCC1)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn32)cc1 ZINC000019334578 558869467 /nfs/dbraw/zinc/86/94/67/558869467.db2.gz YTDUTKVWVPRPMG-UHFFFAOYSA-N 0 1 418.423 2.912 40 0 HFABMN CCc1n[nH]c(C(=O)N[C@H](CC)Cn2nc3c(C)cc4ccccc4n3c2=O)c1C ZINC000019520973 558902192 /nfs/dbraw/zinc/90/21/92/558902192.db2.gz OAWLIGNKGKTRQO-MRXNPFEDSA-N 0 1 406.490 2.760 40 0 HFABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)c2cnccn2)CC1)c1ccccc1 ZINC000019526684 558907925 /nfs/dbraw/zinc/90/79/25/558907925.db2.gz QVZIALXXZMDNRK-UHFFFAOYSA-N 0 1 404.474 2.886 40 0 HFABMN COc1ccc(CN2C[C@@H](c3c(F)cccc3F)[C@]3(C2)COCCC(=O)N3)cc1 ZINC000019555692 558918430 /nfs/dbraw/zinc/91/84/30/558918430.db2.gz JHLXWEBJDOEYNL-JTSKRJEESA-N 0 1 402.441 2.848 40 0 HFABMN COc1cccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1OC(F)F ZINC000019567244 558926815 /nfs/dbraw/zinc/92/68/15/558926815.db2.gz VJUVYEYUNGEDBT-UHFFFAOYSA-N 0 1 420.460 2.581 40 0 HFABMN CC(=O)NCc1cnc([C@@H]2CCCN2C2CCN(C(C)=O)CC2)cc1C(F)(F)F ZINC000072356211 558953131 /nfs/dbraw/zinc/95/31/31/558953131.db2.gz JAFVYJYPOHOMBT-IBGZPJMESA-N 0 1 412.456 2.884 40 0 HFABMN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)n[nH]2)cc1 ZINC000072371325 558957940 /nfs/dbraw/zinc/95/79/40/558957940.db2.gz YBQOKKXUPFXWRT-QGZVFWFLSA-N 0 1 406.552 2.750 40 0 HFABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)n1 ZINC000072374900 558962951 /nfs/dbraw/zinc/96/29/51/558962951.db2.gz RORQNBFTFRQUQD-INIZCTEOSA-N 0 1 404.540 2.526 40 0 HFABMN Cc1nc([C@@H]2CCCCN2C(=O)CN(C)C)nc2c1CCCN2CCc1ccccn1 ZINC000019706849 558969049 /nfs/dbraw/zinc/96/90/49/558969049.db2.gz FCYYKCLVZCGLEY-NRFANRHFSA-N 0 1 422.577 2.791 40 0 HFABMN CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)CCc1ccccc1OC)CC2 ZINC000019710328 558972188 /nfs/dbraw/zinc/97/21/88/558972188.db2.gz FWLDAFDVXJYBKS-SFHVURJKSA-N 0 1 423.561 2.854 40 0 HFABMN CC(=O)N1CCc2nc([C@H]3CCCN(C)C3)nc(NCCc3ncc(C)s3)c2C1 ZINC000019711324 558973354 /nfs/dbraw/zinc/97/33/54/558973354.db2.gz SHENDDVUCVVADH-INIZCTEOSA-N 0 1 414.579 2.610 40 0 HFABMN CN(Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(S(=O)(=O)c1ccccc1)CC2 ZINC000585103117 559026391 /nfs/dbraw/zinc/02/63/91/559026391.db2.gz DJOCOVQCIHIPSQ-FQEVSTJZSA-N 0 1 415.559 2.773 40 0 HFABMN O=C(NCc1ccc(F)cc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253988 559033219 /nfs/dbraw/zinc/03/32/19/559033219.db2.gz VUFFUXCBNWCDSU-RLLQIKCJSA-N 0 1 420.492 2.506 40 0 biogenic,in-vitro HFABMN COc1ccc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(C)C3)cc1 ZINC000096037133 559090960 /nfs/dbraw/zinc/09/09/60/559090960.db2.gz MGMNCWNQGWJMOQ-UHFFFAOYSA-N 0 1 416.543 2.991 40 0 HFABMN COc1cccc(NC(=O)c2ccc3nnc([C@H]4CN(CC5CC5)CCN4C)n3c2)c1 ZINC000096156620 559100600 /nfs/dbraw/zinc/10/06/00/559100600.db2.gz GUQOQIWQBNKPEC-HXUWFJFHSA-N 0 1 420.517 2.689 40 0 HFABMN CS(=O)(=O)N1C[C@H](c2nc[nH]n2)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000096267794 559108387 /nfs/dbraw/zinc/10/83/87/559108387.db2.gz OFVUKLMCVAEFBR-HNNXBMFYSA-N 0 1 417.878 2.622 40 0 HFABMN CCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](Cc1cccnc1)CC3 ZINC000100233787 559132668 /nfs/dbraw/zinc/13/26/68/559132668.db2.gz RYWOSFOIVOHSHL-FQEVSTJZSA-N 0 1 420.517 2.852 40 0 HFABMN CCC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@@H+](Cc1cccnc1)CC3 ZINC000100233787 559132669 /nfs/dbraw/zinc/13/26/69/559132669.db2.gz RYWOSFOIVOHSHL-FQEVSTJZSA-N 0 1 420.517 2.852 40 0 HFABMN CC(C)C(=O)Nc1ccc2c(c1)nc(CN1C[C@H]3C[C@@H](C1)Cn1c(=O)cccc13)n2C ZINC000138163892 559282001 /nfs/dbraw/zinc/28/20/01/559282001.db2.gz FDEULQPEKQFAPN-DLBZAZTESA-N 0 1 419.529 2.949 40 0 HFABMN Cc1cncc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)c1 ZINC000257335410 559283324 /nfs/dbraw/zinc/28/33/24/559283324.db2.gz YKAMMJNFJXKQKO-SONWIMMPSA-N 0 1 423.557 2.694 40 0 HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2c1cccc2Cl ZINC000013575933 560814564 /nfs/dbraw/zinc/81/45/64/560814564.db2.gz XMNCZZGJRFMWAK-ASXAWOISSA-N 0 1 421.950 2.612 40 0 HFABMN O=C([O-])C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)CC1 ZINC000018063855 560871062 /nfs/dbraw/zinc/87/10/62/560871062.db2.gz NPBDOZWKIYOBCP-ZDUSSCGKSA-N 0 1 404.772 2.787 40 0 HFABMN CCCN1CCN([C@@H](c2nnnn2C(C)(C)C)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019503419 560873791 /nfs/dbraw/zinc/87/37/91/560873791.db2.gz XEBZCRBWCRMRAG-HXUWFJFHSA-N 0 1 423.565 2.695 40 0 HFABMN Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000033923716 568526044 /nfs/dbraw/zinc/52/60/44/568526044.db2.gz QAJZBSFVLUGAKL-PRHHBONVSA-N 0 1 405.429 2.565 40 0 HFABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1cc(C)ccc1C ZINC000223674754 568555815 /nfs/dbraw/zinc/55/58/15/568555815.db2.gz UNSRPVAMBQKTMO-UHFFFAOYSA-N 0 1 412.533 2.800 40 0 HFABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2cccc(C(F)(F)F)c2)s1 ZINC000224568133 568585497 /nfs/dbraw/zinc/58/54/97/568585497.db2.gz PMSMUBQSWINTNU-UHFFFAOYSA-N 0 1 408.427 2.630 40 0 HFABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000224692643 568592450 /nfs/dbraw/zinc/59/24/50/568592450.db2.gz DBWARUQZQAHMLZ-UHFFFAOYSA-N 0 1 404.897 2.545 40 0 HFABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 ZINC000225067554 568612114 /nfs/dbraw/zinc/61/21/14/568612114.db2.gz XHPBNHUNXKBOAZ-UHFFFAOYSA-N 0 1 412.876 2.841 40 0 HFABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCOc2ccc(Cl)cc2)s1 ZINC000225114026 568615166 /nfs/dbraw/zinc/61/51/66/568615166.db2.gz DYFHFNGAVNPGCP-UHFFFAOYSA-N 0 1 418.928 2.533 40 0 HFABMN Cn1cc(CN2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)cn1 ZINC000257245902 568789023 /nfs/dbraw/zinc/78/90/23/568789023.db2.gz IRPBBBRCMKUVSH-FQEVSTJZSA-N 0 1 403.433 2.616 40 0 HFABMN O=C([O-])COc1ccccc1C[N@H+]1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257259556 568792726 /nfs/dbraw/zinc/79/27/26/568792726.db2.gz KYXGWUYJNJEJOY-MRXNPFEDSA-N 0 1 407.474 2.785 40 0 HFABMN O=C(C[C@H]1CN(C(=O)CN2CCCC2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 ZINC000257292585 568802237 /nfs/dbraw/zinc/80/22/37/568802237.db2.gz QMEZSWUMRBCRSN-UNMCSNQZSA-N 0 1 413.562 2.781 40 0 HFABMN Cn1nccc1CN1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257334991 568814585 /nfs/dbraw/zinc/81/45/85/568814585.db2.gz YIEKGUGSKMXDPU-HXUWFJFHSA-N 0 1 401.898 2.992 40 0 HFABMN CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000306135260 568897138 /nfs/dbraw/zinc/89/71/38/568897138.db2.gz OLYVURFGGLJBQC-XMSQKQJNSA-N 0 1 407.514 2.525 40 0 HFABMN CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)[C@H]1Cc3ccccc3O1)C2 ZINC000306135259 568897352 /nfs/dbraw/zinc/89/73/52/568897352.db2.gz OLYVURFGGLJBQC-PGRDOPGGSA-N 0 1 407.514 2.525 40 0 HFABMN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccccn1)C[C@H]2c1cccnc1 ZINC000306142294 568903664 /nfs/dbraw/zinc/90/36/64/568903664.db2.gz WVMSNBNZUDXNJS-UKILVPOCSA-N 0 1 414.509 2.874 40 0 HFABMN O=C1N(Cc2cccnc2)c2ncccc2NC12CCN(Cc1ccncc1)CC2 ZINC000306143083 568904696 /nfs/dbraw/zinc/90/46/96/568904696.db2.gz XSUIDMNJFYYSFA-UHFFFAOYSA-N 0 1 400.486 2.865 40 0 HFABMN Cc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC2CCCCC2)n1 ZINC000329068258 568975605 /nfs/dbraw/zinc/97/56/05/568975605.db2.gz YNPHZKIHFVYOSS-UHFFFAOYSA-N 0 1 401.536 2.740 40 0 HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1ccccc1)N[C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022330 569026201 /nfs/dbraw/zinc/02/62/01/569026201.db2.gz NJGAUVRUGGJWAC-KOHOOESMSA-N 0 1 421.472 2.587 40 0 HFABMN Cc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 ZINC000224275688 569056822 /nfs/dbraw/zinc/05/68/22/569056822.db2.gz IUDBHIFRHQTUMO-UHFFFAOYSA-N 0 1 409.515 2.912 40 0 HFABMN COC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1Cl ZINC000006362109 569331737 /nfs/dbraw/zinc/33/17/37/569331737.db2.gz ZTOOEWNWUDGBFB-UHFFFAOYSA-N 0 1 415.851 2.710 40 0 HFABMN CCCS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2)nn1C ZINC000008635327 571097479 /nfs/dbraw/zinc/09/74/79/571097479.db2.gz IZYVVBMDXNJUMF-OTWHNJEPSA-N 0 1 402.564 2.594 40 0 biogenic,in-vitro HFABMN CN1C(=O)N(c2ccccc2)C2(CCN(C[C@H]3COc4ccccc4O3)CC2)C1=O ZINC000001640519 557278241 /nfs/dbraw/zinc/27/82/41/557278241.db2.gz WOPZHACYQXZLKH-SFHVURJKSA-N 0 1 407.470 2.760 40 0 HFABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408562189 557460651 /nfs/dbraw/zinc/46/06/51/557460651.db2.gz NYZDPRLALHKLDZ-UHFFFAOYSA-N 0 1 403.460 2.902 40 0 HFABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000408596904 557516546 /nfs/dbraw/zinc/51/65/46/557516546.db2.gz UCHASEPNMCIKQW-UHFFFAOYSA-N 0 1 402.472 2.818 40 0 HFABMN CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000408618991 557535758 /nfs/dbraw/zinc/53/57/58/557535758.db2.gz HJFVURSLXBSAEF-UHFFFAOYSA-N 0 1 404.488 2.667 40 0 HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000005346184 557646116 /nfs/dbraw/zinc/64/61/16/557646116.db2.gz QISVXPODGKNSJE-FIBZFJQZSA-N 0 1 421.950 2.612 40 0 HFABMN C[C@@H]1CCCN(C(=O)CN2CCC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@H]1C ZINC000036719614 557850096 /nfs/dbraw/zinc/85/00/96/557850096.db2.gz BSYPWKCGXZDDHV-QYZOEREBSA-N 0 1 400.567 2.796 40 0 HFABMN CC(=O)NCC(=O)N1CCC[C@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019742819 558263404 /nfs/dbraw/zinc/26/34/04/558263404.db2.gz MFFGNIYRHMZCHK-INIZCTEOSA-N 0 1 424.480 2.551 40 0 HFABMN CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CCNC2 ZINC000019754859 558273774 /nfs/dbraw/zinc/27/37/74/558273774.db2.gz HINNZSSVSFWHSR-SFHVURJKSA-N 0 1 419.526 2.527 40 0 HFABMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019764398 558277848 /nfs/dbraw/zinc/27/78/48/558277848.db2.gz PHXBWLKTOVDOJU-IBGZPJMESA-N 0 1 422.464 2.945 40 0 HFABMN CCOc1cc(CN2CCC(O)(c3ccccc3F)CC2)ccc1OCC(N)=O ZINC000012240494 558360083 /nfs/dbraw/zinc/36/00/83/558360083.db2.gz DXFBWKHBIBFUBT-UHFFFAOYSA-N 0 1 402.466 2.572 40 0 HFABMN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 ZINC000022834194 558515736 /nfs/dbraw/zinc/51/57/36/558515736.db2.gz GLGYDAUWMGZUAT-OAHLLOKOSA-N 0 1 412.471 2.992 40 0 HFABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 ZINC000013682327 558567254 /nfs/dbraw/zinc/56/72/54/558567254.db2.gz JCZFSGSVPUMYND-UHFFFAOYSA-N 0 1 408.476 2.651 40 0 HFABMN CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2CC(C)C)C(=O)Nc2c1cccc2Cl ZINC000035877133 558795592 /nfs/dbraw/zinc/79/55/92/558795592.db2.gz SGNGLVARWSWUSU-NJLBGMEMSA-N 0 1 403.910 2.905 40 0 HFABMN CC[C@@H](CN1CCN(C)CC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 ZINC000019500327 558898546 /nfs/dbraw/zinc/89/85/46/558898546.db2.gz ODPQHJQJVVFFHO-KRWDZBQOSA-N 0 1 401.580 2.880 40 0 HFABMN CCCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C(C)C)CC3)n1 ZINC000019526114 558907487 /nfs/dbraw/zinc/90/74/87/558907487.db2.gz MKTZWZGRWYIKQM-LJQANCHMSA-N 0 1 412.538 2.923 40 0 HFABMN CCCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C(C)C)CC3)n1 ZINC000019526114 558907489 /nfs/dbraw/zinc/90/74/89/558907489.db2.gz MKTZWZGRWYIKQM-LJQANCHMSA-N 0 1 412.538 2.923 40 0 HFABMN COc1ccc(F)c([C@@H]2NC(=O)CC[C@H]2NCc2ccc(OC)c(OC)c2OC)c1 ZINC000019552652 558915997 /nfs/dbraw/zinc/91/59/97/558915997.db2.gz NJJQONBCBZTLSA-XLIONFOSSA-N 0 1 418.465 2.970 40 0 HFABMN Cc1c(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)cnn1C ZINC000019553336 558916649 /nfs/dbraw/zinc/91/66/49/558916649.db2.gz LZLONDZZRWDARS-HXUWFJFHSA-N 0 1 424.549 2.892 40 0 HFABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2ccc(CN3CCOCC3)o2)cc1 ZINC000019553995 558917061 /nfs/dbraw/zinc/91/70/61/558917061.db2.gz YPIWDZXQSNSTNT-QFIPXVFZSA-N 0 1 422.485 2.631 40 0 HFABMN COc1ncc([C@@]2(O)CCC[C@H]3CN(Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 ZINC000072343011 558940611 /nfs/dbraw/zinc/94/06/11/558940611.db2.gz SFHFTUGTFJFNDS-GTXQTCRKSA-N 0 1 405.445 2.892 40 0 HFABMN Cc1cc(C)n2nc(C3=CCN(C[C@H](O)c4ccc5c(c4)OCCO5)CC3)cc2n1 ZINC000072342769 558940704 /nfs/dbraw/zinc/94/07/04/558940704.db2.gz 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ZINC000019497710 558896391 /nfs/dbraw/zinc/89/63/91/558896391.db2.gz QUEBPCPPUMVFAT-SFTDATJTSA-N 0 1 409.578 2.841 40 0 HFABMN CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(CC(=O)N3CCCCC3)CC[C@H]21 ZINC000019499189 558897540 /nfs/dbraw/zinc/89/75/40/558897540.db2.gz XUROVZBMPUYMSZ-NJDAHSKKSA-N 0 1 401.526 2.865 40 0 HFABMN COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)n[nH]2)c1 ZINC000019566582 558926128 /nfs/dbraw/zinc/92/61/28/558926128.db2.gz HRIOYQASJPRHCL-UHFFFAOYSA-N 0 1 408.433 2.823 40 0 HFABMN COC(=O)[C@@]1(Cc2nccc(OC)c2OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340272 558939123 /nfs/dbraw/zinc/93/91/23/558939123.db2.gz CYXIUZNNVMXCHK-VWQFJMCTSA-N 0 1 424.497 2.807 40 0 HFABMN CN(CCc1ccccc1)CC(=O)N1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019586203 558939385 /nfs/dbraw/zinc/93/93/85/558939385.db2.gz IIKWZQOORGFMIG-OAQYLSRUSA-N 0 1 422.573 2.850 40 0 HFABMN O=C(CN1CCN(C2CCCC2)C(=O)C1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000019657783 558950072 /nfs/dbraw/zinc/95/00/72/558950072.db2.gz YWALQCIATJUHAM-UHFFFAOYSA-N 0 1 409.412 2.607 40 0 HFABMN Cc1nc([C@H]2CCCN2C(=O)CN(C)C)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072371108 558957631 /nfs/dbraw/zinc/95/76/31/558957631.db2.gz AEMUJKOYSUTNFZ-HXUWFJFHSA-N 0 1 421.545 2.532 40 0 HFABMN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3snnc3C)C2)n[nH]1 ZINC000072371510 558958473 /nfs/dbraw/zinc/95/84/73/558958473.db2.gz AQQWKHIBKZTFRV-CQSZACIVSA-N 0 1 413.503 2.829 40 0 HFABMN O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000072373098 558960868 /nfs/dbraw/zinc/96/08/68/558960868.db2.gz ROOULFYYWGUYBD-DYXWJJEUSA-N 0 1 412.578 2.940 40 0 HFABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CN4CCOCC4)C3)c2)n1 ZINC000072374932 558963413 /nfs/dbraw/zinc/96/34/13/558963413.db2.gz ACHRLWAPMQYVFH-IBGZPJMESA-N 0 1 424.549 2.579 40 0 HFABMN CNc1cc(CN(C)C)nc(C2CCN(C(=O)CCc3ccc(OC)cc3)CC2)n1 ZINC000019709689 558971631 /nfs/dbraw/zinc/97/16/31/558971631.db2.gz WGVXWCDMAMPYDB-UHFFFAOYSA-N 0 1 411.550 2.927 40 0 HFABMN COc1c2c(cc([C@@H]3c4cc5c(cc4NC4=COC(=O)C43)OCO5)c1OC)OCO2 ZINC000073196172 558986135 /nfs/dbraw/zinc/98/61/35/558986135.db2.gz XYQPEZOSAKFYDG-INIZCTEOSA-N 0 1 411.366 2.530 40 0 HFABMN CN(Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2 ZINC000585103592 559025626 /nfs/dbraw/zinc/02/56/26/559025626.db2.gz HOMSOGJAMJMCIT-JOCHJYFZSA-N 0 1 408.546 2.939 40 0 HFABMN COc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(CC5CC5)CCN4C)n3c2)cc1 ZINC000096268002 559108395 /nfs/dbraw/zinc/10/83/95/559108395.db2.gz UUCYYERMMOAHRJ-HXUWFJFHSA-N 0 1 420.517 2.689 40 0 HFABMN CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1cccc(Oc2ncccn2)c1 ZINC000585261941 559109672 /nfs/dbraw/zinc/10/96/72/559109672.db2.gz BOPFAIDIYJNHQO-QFIPXVFZSA-N 0 1 417.513 2.701 40 0 HFABMN CCOC(=O)N1CCC([N@H+]2CCOC[C@](O)(COc3cc(C)cc(C)c3C)C2)CC1 ZINC000585282018 559119736 /nfs/dbraw/zinc/11/97/36/559119736.db2.gz FTVWJSJPPHUDHY-QHCPKHFHSA-N 0 1 420.550 2.675 40 0 HFABMN CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CNCC2 ZINC000072372347 559182106 /nfs/dbraw/zinc/18/21/06/559182106.db2.gz DKNMCRZBDXYWAH-MRXNPFEDSA-N 0 1 421.954 2.733 40 0 HFABMN CN1CC[C@H](COCc2ccccn2)CC12CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 ZINC000575402645 560546760 /nfs/dbraw/zinc/54/67/60/560546760.db2.gz DQYXUVZISYLKKV-AVRDEDQJSA-N 0 1 407.514 2.525 40 0 HFABMN O=C(Nc1nncs1)c1cc(S(=O)(=O)N2CCCc3ccccc32)cs1 ZINC000006681366 560632207 /nfs/dbraw/zinc/63/22/07/560632207.db2.gz JPRVNEYELOUJTB-UHFFFAOYSA-N 0 1 406.514 2.993 40 0 HFABMN CC[C@H](C)Oc1c(I)cc(/C=C2/NC(=O)NC2=O)cc1OC ZINC000409050759 560670004 /nfs/dbraw/zinc/67/00/04/560670004.db2.gz ZKGLSVVYFRWPHT-KIFNTFBYSA-N 0 1 416.215 2.657 40 0 HFABMN Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000033923715 568525991 /nfs/dbraw/zinc/52/59/91/568525991.db2.gz QAJZBSFVLUGAKL-NWFVXXGESA-N 0 1 405.429 2.565 40 0 HFABMN Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 ZINC000223851508 568560816 /nfs/dbraw/zinc/56/08/16/568560816.db2.gz LCVUMSSOTBIZRR-LBPRGKRZSA-N 0 1 412.537 2.577 40 0 HFABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCOC2CCCC2)s1 ZINC000224536564 568584019 /nfs/dbraw/zinc/58/40/19/568584019.db2.gz OIBWDBDTTPQPHW-UHFFFAOYSA-N 0 1 424.548 2.726 40 0 HFABMN C[C@H](CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1)c1ccccc1 ZINC000225138261 568617436 /nfs/dbraw/zinc/61/74/36/568617436.db2.gz JSNSMYKXUXAPBW-CYBMUJFWSA-N 0 1 402.501 2.872 40 0 HFABMN CCOc1cc([C@@H](N)c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)ccc1OC ZINC000095534373 568635687 /nfs/dbraw/zinc/63/56/87/568635687.db2.gz CPOAAHGUQGPGFR-GOSISDBHSA-N 0 1 414.462 2.953 40 0 HFABMN Cc1ccnc(CN2CC[C@@]3(C2)COCc2cnc(NCC4CCOCC4)nc23)c1 ZINC000247924736 568746093 /nfs/dbraw/zinc/74/60/93/568746093.db2.gz OYTFHVVQSBUCNU-HSZRJFAPSA-N 0 1 409.534 2.692 40 0 HFABMN Cc1ccc(=O)n(CC(=O)N2CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)n1 ZINC000257233150 568785522 /nfs/dbraw/zinc/78/55/22/568785522.db2.gz GOALKWLTLDHVFM-INIZCTEOSA-N 0 1 422.464 2.549 40 0 HFABMN CCc1nc(-c2cncnc2[C@H]2CCN(Cc3cc4c(cc3OC)OCCO4)C2)no1 ZINC000257234294 568786005 /nfs/dbraw/zinc/78/60/05/568786005.db2.gz GSWZACJZPSKANC-AWEZNQCLSA-N 0 1 423.473 2.858 40 0 HFABMN c1cc2ccncc2c(C[C@H]2COCCN(Cc3ccnc(N4CCOCC4)n3)C2)c1 ZINC000257318180 568809863 /nfs/dbraw/zinc/80/98/63/568809863.db2.gz VMUIODDEDWTGJT-LJQANCHMSA-N 0 1 419.529 2.553 40 0 HFABMN CNc1cc(CN(C)C(=O)CN(C)Cc2ccc(F)cc2)nc([C@@H]2CCCCN2)n1 ZINC000019709945 568838702 /nfs/dbraw/zinc/83/87/02/568838702.db2.gz QROSIUKPJARJOC-IBGZPJMESA-N 0 1 414.529 2.562 40 0 HFABMN CC(C)n1cc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cn1 ZINC000306132811 568895164 /nfs/dbraw/zinc/89/51/64/568895164.db2.gz LSRCBYZWVBRSTF-LJQANCHMSA-N 0 1 409.538 2.723 40 0 HFABMN OCCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329005254 568972100 /nfs/dbraw/zinc/97/21/00/568972100.db2.gz KXHXHFZUKJPLIT-UHFFFAOYSA-N 0 1 406.273 2.933 40 0 HFABMN O=C(NCc1ccc(F)cc1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 ZINC000008253984 568985493 /nfs/dbraw/zinc/98/54/93/568985493.db2.gz VUFFUXCBNWCDSU-SXLOBPIMSA-N 0 1 420.492 2.506 40 0 biogenic,in-vitro HFABMN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCCO4)[n-]c(=O)c3C2)CC1 ZINC000248117976 569316326 /nfs/dbraw/zinc/31/63/26/569316326.db2.gz QJWVDGXNVSUGKR-ZGIUJUBFSA-N 0 1 414.550 2.962 40 0 HFABMN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCCO4)[n-]c(=O)c3C2)CC1 ZINC000248117976 569316328 /nfs/dbraw/zinc/31/63/28/569316328.db2.gz QJWVDGXNVSUGKR-ZGIUJUBFSA-N 0 1 414.550 2.962 40 0 HFABMN CC(C)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 ZINC000225477352 291217177 /nfs/dbraw/zinc/21/71/77/291217177.db2.gz QBABBBBUDQNRJA-UHFFFAOYSA-N 0 1 401.580 2.552 40 0 biogenic,in-vitro HFABMN COc1ccc([C@@H](CNC(=O)[C@@]2(C)Oc3ccccc3N(C)C2=O)N2CCCC2)cc1 ZINC000041070678 525185807 /nfs/dbraw/zinc/18/58/07/525185807.db2.gz KWTRRTCXKZIPAC-HYBUGGRVSA-N 0 1 423.513 2.762 40 0 HFABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(C)CC2)ccc1Cl ZINC000408543893 557360763 /nfs/dbraw/zinc/36/07/63/557360763.db2.gz FXAOGXPFVVTCSY-UHFFFAOYSA-N 0 1 407.923 2.837 40 0 HFABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408583740 557482858 /nfs/dbraw/zinc/48/28/58/557482858.db2.gz JLRJGWUSRPOVJP-UHFFFAOYSA-N 0 1 404.488 2.968 40 0 HFABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC(C)C)cc1 ZINC000408595125 557512804 /nfs/dbraw/zinc/51/28/04/557512804.db2.gz TYTZBRBOJRYNJI-AWEZNQCLSA-N 0 1 420.487 2.566 40 0 HFABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000408615467 557540855 /nfs/dbraw/zinc/54/08/55/557540855.db2.gz AOKHTMKQGWHSKS-UHFFFAOYSA-N 0 1 401.488 2.937 40 0 HFABMN Cc1c(CN2CCC[C@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cnn1C ZINC000019741355 558262105 /nfs/dbraw/zinc/26/21/05/558262105.db2.gz JFRAGZQAGPMGHD-SFHVURJKSA-N 0 1 408.550 2.896 40 0 HFABMN COc1cccc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c1F ZINC000012366359 558388286 /nfs/dbraw/zinc/38/82/86/558388286.db2.gz GMMHROXYEHBDIY-NHJWOMDBSA-N 0 1 413.493 2.827 40 0 HFABMN Cn1nc(-c2cccnc2)cc1CN1CCC(NC(=O)Cc2cccc(F)c2)CC1 ZINC000019288982 558861813 /nfs/dbraw/zinc/86/18/13/558861813.db2.gz XKCJQQIRFSZVGQ-UHFFFAOYSA-N 0 1 407.493 2.945 40 0 HFABMN Cn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)cn1 ZINC000019290560 558862986 /nfs/dbraw/zinc/86/29/86/558862986.db2.gz ZOOHBVNFLLHWQB-HXUWFJFHSA-N 0 1 424.549 2.562 40 0 HFABMN Cn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)cn1 ZINC000019290560 558862988 /nfs/dbraw/zinc/86/29/88/558862988.db2.gz ZOOHBVNFLLHWQB-HXUWFJFHSA-N 0 1 424.549 2.562 40 0 HFABMN Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)n1 ZINC000019290943 558863419 /nfs/dbraw/zinc/86/34/19/558863419.db2.gz VAOYEENCQDXJSD-LJQANCHMSA-N 0 1 410.522 2.584 40 0 HFABMN O=c1ccc2cc(S(=O)(=O)Nc3ccccc3OCCn3cccn3)ccc2o1 ZINC000019350072 558875361 /nfs/dbraw/zinc/87/53/61/558875361.db2.gz HKFDMHLQVITLJU-UHFFFAOYSA-N 0 1 411.439 2.869 40 0 HFABMN O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019370110 558878213 /nfs/dbraw/zinc/87/82/13/558878213.db2.gz PGPNKPYMVIHMHI-SFHVURJKSA-N 0 1 406.530 2.629 40 0 HFABMN C[C@@H]1CN(c2nccc(CN3CCN(CCCc4ccccc4)CC3)n2)C[C@@H](C)O1 ZINC000019497708 558896375 /nfs/dbraw/zinc/89/63/75/558896375.db2.gz QUEBPCPPUMVFAT-NHCUHLMSSA-N 0 1 409.578 2.841 40 0 HFABMN COc1cc2c(cc1CN1C[C@@H](c3cccnc3)[C@]3(C1)CCCCC(=O)N3)OCCO2 ZINC000019550622 558915142 /nfs/dbraw/zinc/91/51/42/558915142.db2.gz QUILYHAVOQEMMI-YADARESESA-N 0 1 423.513 2.890 40 0 HFABMN Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)c2ccccc2)CC3)n[nH]1 ZINC000072345857 558942467 /nfs/dbraw/zinc/94/24/67/558942467.db2.gz CXQXRGOBSXURFS-OAQYLSRUSA-N 0 1 424.526 2.956 40 0 HFABMN Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@H](NC(=O)C2CCCC2)CC3)n[nH]1 ZINC000072345859 558942473 /nfs/dbraw/zinc/94/24/73/558942473.db2.gz YAIOXILLAHMKNJ-HXUWFJFHSA-N 0 1 416.547 2.833 40 0 HFABMN COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)no1 ZINC000019593541 558944554 /nfs/dbraw/zinc/94/45/54/558944554.db2.gz RWOOXNZGDYCWCV-QGZVFWFLSA-N 0 1 424.501 2.987 40 0 HFABMN Cn1nccc1CN1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCO ZINC000072370608 558957029 /nfs/dbraw/zinc/95/70/29/558957029.db2.gz FMSAUWHSIXYSEH-INIZCTEOSA-N 0 1 412.559 2.954 40 0 HFABMN Cc1nc([C@@H]2CCCN2C(=O)CN2CCCC2)nc2c1CCCN2Cc1ccccn1 ZINC000072372878 558960691 /nfs/dbraw/zinc/96/06/91/558960691.db2.gz QNHNWWMLOSMTSC-NRFANRHFSA-N 0 1 420.561 2.892 40 0 HFABMN Cn1cc(C(=O)N2CCC[C@H]2c2cc(CCOc3cccc(F)c3)[nH]n2)ccc1=O ZINC000072378352 558967552 /nfs/dbraw/zinc/96/75/52/558967552.db2.gz PDIXSPRTMDSUMP-FQEVSTJZSA-N 0 1 410.449 2.846 40 0 HFABMN Cc1cc(CN(C)C(=O)c2ccc(C3CCN(C(=O)c4ccccn4)CC3)nc2)n[nH]1 ZINC000019708221 558970438 /nfs/dbraw/zinc/97/04/38/558970438.db2.gz XOQHJVOZRWBRGA-UHFFFAOYSA-N 0 1 418.501 2.800 40 0 HFABMN CCOC(=N)c1cc(I)c(O)c(I)c1 ZINC000228918225 559023619 /nfs/dbraw/zinc/02/36/19/559023619.db2.gz MIDJQUPKTXMZSI-UHFFFAOYSA-N 0 1 416.984 2.963 40 0 HFABMN CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1cccc(Oc2ncccn2)c1 ZINC000585261940 559109595 /nfs/dbraw/zinc/10/95/95/559109595.db2.gz BOPFAIDIYJNHQO-JOCHJYFZSA-N 0 1 417.513 2.701 40 0 HFABMN CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H](N)[C@@H](C)O)CC3)n2)s1 ZINC000585263082 559111866 /nfs/dbraw/zinc/11/18/66/559111866.db2.gz JHEBHTXZJOUGEW-ACJLOTCBSA-N 0 1 403.552 2.648 40 0 HFABMN COCC(=O)N1CC[N@H+](C2CCC(C)(C)CC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585281979 559119732 /nfs/dbraw/zinc/11/97/32/559119732.db2.gz DLZXLKNSIPHYBC-HSZRJFAPSA-N 0 1 422.541 2.695 40 0 HFABMN COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CN(CC5CC5)CCN4C)n3c2)cc1 ZINC000107281431 559164998 /nfs/dbraw/zinc/16/49/98/559164998.db2.gz UUCYYERMMOAHRJ-FQEVSTJZSA-N 0 1 420.517 2.689 40 0 HFABMN CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2Cl)nc2c1CNCC2 ZINC000072372346 559182056 /nfs/dbraw/zinc/18/20/56/559182056.db2.gz DKNMCRZBDXYWAH-INIZCTEOSA-N 0 1 421.954 2.733 40 0 HFABMN Cc1cccc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)n1 ZINC000257325509 559283236 /nfs/dbraw/zinc/28/32/36/559283236.db2.gz WTFIQBKWSOSMMZ-VDKIKQQVSA-N 0 1 423.557 2.694 40 0 HFABMN CCCS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000008635432 560210252 /nfs/dbraw/zinc/21/02/52/560210252.db2.gz QFFFBHXOVKVJLR-XHSDSOJGSA-N 0 1 408.593 2.656 40 0 biogenic,in-vitro HFABMN CCCS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000008635432 560210253 /nfs/dbraw/zinc/21/02/53/560210253.db2.gz QFFFBHXOVKVJLR-XHSDSOJGSA-N 0 1 408.593 2.656 40 0 biogenic,in-vitro HFABMN CCN1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000409408121 560722563 /nfs/dbraw/zinc/72/25/63/560722563.db2.gz ISJUFKJQZLGDCH-UHFFFAOYSA-N 0 1 407.923 2.919 40 0 HFABMN CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000409408121 560722565 /nfs/dbraw/zinc/72/25/65/560722565.db2.gz ISJUFKJQZLGDCH-UHFFFAOYSA-N 0 1 407.923 2.919 40 0 HFABMN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1OC ZINC000006287992 560740976 /nfs/dbraw/zinc/74/09/76/560740976.db2.gz SLPHLYFQLSFGFH-UHFFFAOYSA-N 0 1 414.531 2.582 40 0 HFABMN COc1ccc(-c2nn3cnnc3s2)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000010119924 560764392 /nfs/dbraw/zinc/76/43/92/560764392.db2.gz ADMUICIYPJGRFQ-UHFFFAOYSA-N 0 1 401.473 2.971 40 0 HFABMN CCN1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000019527975 560874687 /nfs/dbraw/zinc/87/46/87/560874687.db2.gz GYNKSOKQYPZRBI-OAQYLSRUSA-N 0 1 421.549 2.665 40 0 HFABMN CCOc1ccc(-c2noc(CNS(=O)(=O)c3cc(F)ccc3OC)n2)cc1 ZINC000223623180 568553640 /nfs/dbraw/zinc/55/36/40/568553640.db2.gz UZGPKUNGRMDRDF-UHFFFAOYSA-N 0 1 407.423 2.762 40 0 HFABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)s1 ZINC000223824002 568559984 /nfs/dbraw/zinc/55/99/84/568559984.db2.gz RUVCZKHNUKZLHI-INIZCTEOSA-N 0 1 402.501 2.873 40 0 HFABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccccc3C)s2)cc1 ZINC000223969062 568564888 /nfs/dbraw/zinc/56/48/88/568564888.db2.gz VNIFWDFROCXQGV-UHFFFAOYSA-N 0 1 402.501 2.886 40 0 HFABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc(F)cc3)s2)c1 ZINC000224124858 568570857 /nfs/dbraw/zinc/57/08/57/568570857.db2.gz NAHCAPIHTGCXME-UHFFFAOYSA-N 0 1 406.464 2.716 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCSCc2cccc(Cl)c2)s1 ZINC000224999800 568608012 /nfs/dbraw/zinc/60/80/12/568608012.db2.gz CHFNQMBGFBGHBL-UHFFFAOYSA-N 0 1 420.969 2.752 40 0 HFABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCSC(C)(C)C)s2)c1 ZINC000225708604 568666582 /nfs/dbraw/zinc/66/65/82/568666582.db2.gz PROLSBDAUDLIOE-UHFFFAOYSA-N 0 1 414.578 2.909 40 0 HFABMN CCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257209419 568778775 /nfs/dbraw/zinc/77/87/75/568778775.db2.gz BQHLRBLNMLNWNL-IBGZPJMESA-N 0 1 403.486 2.635 40 0 HFABMN Cn1nccc1CN1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257236210 568786530 /nfs/dbraw/zinc/78/65/30/568786530.db2.gz HBFDGMSPCYOKTG-FQEVSTJZSA-N 0 1 401.898 2.992 40 0 HFABMN O=C([O-])COc1ccccc1C[N@H+]1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257259555 568792614 /nfs/dbraw/zinc/79/26/14/568792614.db2.gz KYXGWUYJNJEJOY-INIZCTEOSA-N 0 1 407.474 2.785 40 0 HFABMN Cc1ncoc1C(=O)N1CC[C@H](c2[nH]ncc2C(=O)N2CCc3ccccc3C2)C1 ZINC000257335016 568814658 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558858628 /nfs/dbraw/zinc/85/86/28/558858628.db2.gz NYRPHWRVVNEBFS-UHFFFAOYSA-N 0 1 424.524 2.902 40 0 HFABMN CN(C)C(=O)c1cn[nH]c1C1CCN(C(=O)CCc2cn(C)c3ccccc23)CC1 ZINC000019290407 558862819 /nfs/dbraw/zinc/86/28/19/558862819.db2.gz CSHKAUVMLXEHHD-UHFFFAOYSA-N 0 1 407.518 2.942 40 0 HFABMN CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[n-]c(=O)c2C1 ZINC000019448161 558887099 /nfs/dbraw/zinc/88/70/99/558887099.db2.gz XILVVMCYXRTGML-LJQANCHMSA-N 0 1 410.522 2.504 40 0 HFABMN CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[n-]c(=O)c2C1 ZINC000019448161 558887101 /nfs/dbraw/zinc/88/71/01/558887101.db2.gz XILVVMCYXRTGML-LJQANCHMSA-N 0 1 410.522 2.504 40 0 HFABMN COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019495992 558894826 /nfs/dbraw/zinc/89/48/26/558894826.db2.gz XWBXVDUUAXURJC-RJYAGPCLSA-N 0 1 402.539 2.819 40 0 HFABMN COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019495992 558894829 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HFABMN COC(=O)c1cc(S(=O)(=O)NCCCN2CCc3ccccc3C2)ccc1C ZINC000225856331 568681209 /nfs/dbraw/zinc/68/12/09/568681209.db2.gz ORDGZZJITUKRMK-UHFFFAOYSA-N 0 1 402.516 2.508 40 0 HFABMN Cn1nccc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257208807 568778761 /nfs/dbraw/zinc/77/87/61/568778761.db2.gz BNQQEBMDIZTCOO-LJQANCHMSA-N 0 1 415.881 2.632 40 0 HFABMN Cn1nccc1C(=O)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257208806 568778783 /nfs/dbraw/zinc/77/87/83/568778783.db2.gz BNQQEBMDIZTCOO-IBGZPJMESA-N 0 1 415.881 2.632 40 0 HFABMN O=C(c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCCC1 ZINC000257218397 568781397 /nfs/dbraw/zinc/78/13/97/568781397.db2.gz DCZRFWWSQGMCQX-CQSZACIVSA-N 0 1 422.938 2.867 40 0 HFABMN CCN(CC)C(=O)c1cn[nH]c1C1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000257300030 568804477 /nfs/dbraw/zinc/80/44/77/568804477.db2.gz RSPUCWIMOCHEIW-KRWDZBQOSA-N 0 1 423.517 2.724 40 0 HFABMN CN(C)C(=O)c1sc2nc(C3(C)CCN(Cc4cnccn4)CC3)ccc2c1N ZINC000257340888 568816290 /nfs/dbraw/zinc/81/62/90/568816290.db2.gz ZHYOVHQXWIYHNO-UHFFFAOYSA-N 0 1 410.547 2.924 40 0 HFABMN CCCCc1ncc(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)[nH]1 ZINC000257341061 568816523 /nfs/dbraw/zinc/81/65/23/568816523.db2.gz ZIRMVTSVQUVOCW-OAQYLSRUSA-N 0 1 420.941 2.931 40 0 HFABMN Cc1nccn1[C@@H]1CC[C@@H](N(C)C(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O ZINC000257341878 568816640 /nfs/dbraw/zinc/81/66/40/568816640.db2.gz ZMHGSRCKKDSMIF-MBOZVWFJSA-N 0 1 401.898 2.877 40 0 HFABMN Cc1c(F)cccc1CN1C[C@@H]2Cn3cc(C(=O)NC4CCCCC4)c(=O)nc3[C@H]2C1 ZINC000306128142 568890936 /nfs/dbraw/zinc/89/09/36/568890936.db2.gz GRHQVUGYRHNTSR-MJGOQNOKSA-N 0 1 424.520 2.983 40 0 HFABMN CC(C)Cn1cc2c(n1)C1(CCN(Cc3ccc4c(c3)OCO4)CC1)CN(C)C2=O ZINC000306144110 568905361 /nfs/dbraw/zinc/90/53/61/568905361.db2.gz YWHMVDQMSXOZMF-UHFFFAOYSA-N 0 1 410.518 2.887 40 0 HFABMN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306144525 568905906 /nfs/dbraw/zinc/90/59/06/568905906.db2.gz ZHWCALRBPJPEOD-FYYLOGMGSA-N 0 1 420.538 2.935 40 0 HFABMN C[C@@H]1CCCN(C(=O)CN2CCC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)[C@@H]1C ZINC000019496679 569345525 /nfs/dbraw/zinc/34/55/25/569345525.db2.gz BSYPWKCGXZDDHV-GUDVDZBRSA-N 0 1 400.567 2.796 40 0 HFABMN CN(C)CCNc1nc(-c2ccccn2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329040316 571304636 /nfs/dbraw/zinc/30/46/36/571304636.db2.gz SDGDJBRXNRCWPQ-UHFFFAOYSA-N 0 1 421.402 3.508 40 0 HFABMN Cc1nnc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccnn3C)nc(C)n2)s1 ZINC000585291400 571310163 /nfs/dbraw/zinc/31/01/63/571310163.db2.gz CDHLLTZFSAVUKK-OZSKJFCKSA-N 0 1 424.534 3.189 40 0 HFABMN CC(C)CNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccco2)nn1C ZINC000008635411 291217189 /nfs/dbraw/zinc/21/71/89/291217189.db2.gz QYWZDEGPFPCLRO-BBWFWOEESA-N 0 1 401.580 2.978 40 0 biogenic,in-vitro HFABMN COc1cccc(NC(=O)N2CC[C@H]3CC(=O)N(CCc4cnc[nH]4)CC[C@H]3C2)c1 ZINC000031153280 291225685 /nfs/dbraw/zinc/22/56/85/291225685.db2.gz NFZVUENETKJRSQ-IRXDYDNUSA-N 0 1 411.506 2.753 40 0 biogenic,in-vitro HFABMN COc1ncccc1CNC[C@H]1Cn2cc(-c3ccc4c(c3)OCCCO4)nc2CO1 ZINC000096269405 291226040 /nfs/dbraw/zinc/22/60/40/291226040.db2.gz BMEZSHJATPWELC-SFHVURJKSA-N 0 1 422.485 2.804 40 0 biogenic,in-vitro HFABMN Cn1c2cc(NC(=O)c3ccccc3Cl)c(N3CCN(C)CC3)cc2n(C)c1=O ZINC000408530812 557297684 /nfs/dbraw/zinc/29/76/84/557297684.db2.gz MTEIZNRZGAVSIC-UHFFFAOYSA-N 0 1 413.909 2.535 40 0 HFABMN Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](CCC(=O)[O-])c3ccccc3)CC2)cc1 ZINC000408611461 557529637 /nfs/dbraw/zinc/52/96/37/557529637.db2.gz SFWYDJAGZIKOBF-FQEVSTJZSA-N 0 1 402.516 2.907 40 0 HFABMN CC(C)(C)Nc1c(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)nc2ccc(F)cn21 ZINC000012127988 558331492 /nfs/dbraw/zinc/33/14/92/558331492.db2.gz WFAISFXOVMEYPS-OAHLLOKOSA-N 0 1 401.486 2.668 40 0 HFABMN C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(-c3cnccn3)[n-]c(=O)c2C1 ZINC000012220790 558355696 /nfs/dbraw/zinc/35/56/96/558355696.db2.gz CGSGYCFSGQTLED-CQSZACIVSA-N 0 1 405.458 2.605 40 0 HFABMN C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nc(-c3cnccn3)[n-]c(=O)c2C1 ZINC000012220790 558355699 /nfs/dbraw/zinc/35/56/99/558355699.db2.gz CGSGYCFSGQTLED-CQSZACIVSA-N 0 1 405.458 2.605 40 0 HFABMN CNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OC ZINC000013677569 558564869 /nfs/dbraw/zinc/56/48/69/558564869.db2.gz RLTBVBNFUKYFOI-UHFFFAOYSA-N 0 1 414.867 2.526 40 0 HFABMN COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C(C)(C)C)C4)[nH]c(=O)c3C2)cc1 ZINC000019081064 558839256 /nfs/dbraw/zinc/83/92/56/558839256.db2.gz DLWBEZBZMRTNSR-KRWDZBQOSA-N 0 1 424.545 2.699 40 0 HFABMN Cc1cnn(CC(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)c1 ZINC000019239941 558858716 /nfs/dbraw/zinc/85/87/16/558858716.db2.gz CZUQFTKXWTWNFL-UHFFFAOYSA-N 0 1 410.497 2.512 40 0 HFABMN COc1ccc(CC(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1 ZINC000019288980 558861746 /nfs/dbraw/zinc/86/17/46/558861746.db2.gz AAVACFZDROFEFU-UHFFFAOYSA-N 0 1 419.529 2.814 40 0 HFABMN O=c1cc([C@@H]2CCCCN2Cc2ccc(OCCO)cc2)nc(-c2cccnc2)[nH]1 ZINC000019340882 558871685 /nfs/dbraw/zinc/87/16/85/558871685.db2.gz BZZPQXBSEADVJY-NRFANRHFSA-N 0 1 406.486 2.930 40 0 HFABMN O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCCCC1)CC2 ZINC000019403710 558884439 /nfs/dbraw/zinc/88/44/39/558884439.db2.gz YFZUHXYONKUMKM-HXUWFJFHSA-N 0 1 422.533 2.618 40 0 HFABMN O=C(c1cnccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCCCC1)CC2 ZINC000019403710 558884440 /nfs/dbraw/zinc/88/44/40/558884440.db2.gz YFZUHXYONKUMKM-HXUWFJFHSA-N 0 1 422.533 2.618 40 0 HFABMN CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019524164 558905568 /nfs/dbraw/zinc/90/55/68/558905568.db2.gz WXLNIKXCUBBGQC-LJQANCHMSA-N 0 1 424.549 2.654 40 0 HFABMN CCn1nccc1C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019524164 558905570 /nfs/dbraw/zinc/90/55/70/558905570.db2.gz WXLNIKXCUBBGQC-LJQANCHMSA-N 0 1 424.549 2.654 40 0 HFABMN COc1cc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1OC ZINC000019549682 558914449 /nfs/dbraw/zinc/91/44/49/558914449.db2.gz ODIQBJYSFQPGKZ-QGZVFWFLSA-N 0 1 422.485 2.847 40 0 HFABMN Cc1nc2ccccn2c1CN1CCC[C@@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 ZINC000019554946 558917933 /nfs/dbraw/zinc/91/79/33/558917933.db2.gz RSYXXHWPLMWSKP-QGZVFWFLSA-N 0 1 423.517 2.607 40 0 HFABMN COCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019593140 558944086 /nfs/dbraw/zinc/94/40/86/558944086.db2.gz ORWUEPIGYHHRAL-OAHLLOKOSA-N 0 1 416.547 2.545 40 0 HFABMN COc1ccc(S(=O)(=O)CCNC(=O)c2[nH]nc3c2C[C@@H](C(C)(C)C)CC3)cc1 ZINC000019661504 558952529 /nfs/dbraw/zinc/95/25/29/558952529.db2.gz SWUXLNDKWZWOGC-AWEZNQCLSA-N 0 1 419.547 2.773 40 0 HFABMN NC(=O)C1CCN(C(=O)CN2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)CC1 ZINC000019688138 558957734 /nfs/dbraw/zinc/95/77/34/558957734.db2.gz ZNCDRIXBTMQQAG-QFIPXVFZSA-N 0 1 420.557 2.576 40 0 HFABMN CN1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3ccccn3)C2)C1 ZINC000585107473 559027949 /nfs/dbraw/zinc/02/79/49/559027949.db2.gz XAPBHRIMDFCPAQ-DEOSSOPVSA-N 0 1 401.514 2.951 40 0 HFABMN CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(Cc1ccsc1)CC2 ZINC000096036934 559090747 /nfs/dbraw/zinc/09/07/47/559090747.db2.gz INCJTBWFRRYQCY-UHFFFAOYSA-N 0 1 410.547 2.699 40 0 HFABMN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@]2(C[C@H](CN3CCOCC3)CO2)C1 ZINC000096228409 559102733 /nfs/dbraw/zinc/10/27/33/559102733.db2.gz CJLBPZUSUFAEMP-HYBUGGRVSA-N 0 1 409.530 2.821 40 0 HFABMN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2N2CCN(C)CC2)cc1 ZINC000072216592 559169570 /nfs/dbraw/zinc/16/95/70/559169570.db2.gz XSTMACVGZRGVJW-FQEVSTJZSA-N 0 1 400.548 2.668 40 0 HFABMN CN(C)CC(=O)NC[C@H]1CC[C@H](c2c3ccccc3sc2C(=O)NCCO)CC1 ZINC000257366862 559286505 /nfs/dbraw/zinc/28/65/05/559286505.db2.gz CNRFLCOECYLZCX-WKILWMFISA-N 0 1 417.575 2.575 40 0 HFABMN CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NS(=O)(=O)c1ccc(C)cc1 ZINC000014608446 560847479 /nfs/dbraw/zinc/84/74/79/560847479.db2.gz HGDCHZVTZOKOAO-UHFFFAOYSA-N 0 1 415.475 2.565 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)s1 ZINC000222727833 568524888 /nfs/dbraw/zinc/52/48/88/568524888.db2.gz XNXPOVUEMVCYII-UHFFFAOYSA-N 0 1 420.969 2.752 40 0 HFABMN COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000223848794 568560808 /nfs/dbraw/zinc/56/08/08/568560808.db2.gz MWXRWJLPICTYPI-UHFFFAOYSA-N 0 1 418.471 2.582 40 0 HFABMN CCOc1ccc(-c2nc(N3CC[NH+](C)CC3)sc2CC(=O)[O-])cc1OCC ZINC000095097224 568595641 /nfs/dbraw/zinc/59/56/41/568595641.db2.gz FWLYKNYLKXGXCS-UHFFFAOYSA-N 0 1 405.520 2.986 40 0 HFABMN O=C(Nc1nnc(S(=O)(=O)NCCc2ccccc2)s1)c1ccccc1Cl ZINC000225385492 568633257 /nfs/dbraw/zinc/63/32/57/568633257.db2.gz XKXDCGOYMJIZAA-UHFFFAOYSA-N 0 1 422.919 2.965 40 0 HFABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCCCc3ccco3)s2)cc1 ZINC000225495887 568643363 /nfs/dbraw/zinc/64/33/63/568643363.db2.gz NXIPVAVACSXGDV-UHFFFAOYSA-N 0 1 406.489 2.603 40 0 HFABMN O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2Cl)s1)c1ccccc1 ZINC000225698916 568665558 /nfs/dbraw/zinc/66/55/58/568665558.db2.gz XUHXPRJRPIYKDO-UHFFFAOYSA-N 0 1 408.892 2.922 40 0 HFABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1cn2c3c(cccc3c1=O)CC2 ZINC000225860676 568681451 /nfs/dbraw/zinc/68/14/51/568681451.db2.gz HUHRHFTVYRNEMH-UHFFFAOYSA-N 0 1 417.494 2.865 40 0 HFABMN CCc1nnc([N-]c2cccc([C@H]3CN(C(=O)CC[NH+]4CCCC4)CCO3)n2)s1 ZINC000257225001 568783522 /nfs/dbraw/zinc/78/35/22/568783522.db2.gz FEKPIYUCYQGUFJ-MRXNPFEDSA-N 0 1 416.551 2.625 40 0 HFABMN CCc1nc(-c2cncnc2[C@@H]2CCN(Cc3cc4c(cc3OC)OCCO4)C2)no1 ZINC000257234295 568785931 /nfs/dbraw/zinc/78/59/31/568785931.db2.gz GSWZACJZPSKANC-CQSZACIVSA-N 0 1 423.473 2.858 40 0 HFABMN CCn1cc(CN2CCO[C@@H](c3cc(CCOc4cccc(OC)c4)[nH]n3)C2)cn1 ZINC000257265600 568794236 /nfs/dbraw/zinc/79/42/36/568794236.db2.gz LZJAFOHOUIZLKR-JOCHJYFZSA-N 0 1 411.506 2.830 40 0 HFABMN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N3CCCC3)C2)cc1 ZINC000257271743 568795974 /nfs/dbraw/zinc/79/59/74/568795974.db2.gz MZQDBPRWVDSZKY-MRXNPFEDSA-N 0 1 402.520 2.522 40 0 HFABMN O=C(c1ccn[nH]1)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000257317117 568809415 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416.724 2.732 40 0 HFABMN COc1ccc2c(c1)C=C(CN1CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C1)CO2 ZINC000012185109 132356121 /nfs/dbraw/zinc/35/61/21/132356121.db2.gz RUQHDQIGXGCGRD-UHFFFAOYSA-N 0 1 422.529 2.849 40 0 HFABMN COCc1nn2c(ncc3c2ccn(CCc2cnc[nH]2)c3=O)c1-c1ccccc1 ZINC000040396477 523248106 /nfs/dbraw/zinc/24/81/06/523248106.db2.gz ISGBTZRGQHVOOY-UHFFFAOYSA-N 0 1 400.442 2.823 40 0 HFABMN CSCC[C@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000009044206 557820324 /nfs/dbraw/zinc/82/03/24/557820324.db2.gz YOQDNMMJGUOMEP-OHNQJVKOSA-N 0 1 421.950 2.612 40 0 HFABMN COCCN1CCN(Cc2cc3c([nH]c2=O)n(-c2ccccc2)nc3C(C)(C)C)CC1 ZINC000022913522 558520599 /nfs/dbraw/zinc/52/05/99/558520599.db2.gz SHXMZPKIJIRECL-UHFFFAOYSA-N 0 1 423.561 2.775 40 0 HFABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)Cc1ccccc1C ZINC000030857275 558741289 /nfs/dbraw/zinc/74/12/89/558741289.db2.gz KEJRPGWATBLEMJ-UHFFFAOYSA-N 0 1 424.544 2.730 40 0 HFABMN C[C@@H]1CN(C(=O)c2cn[nH]c2C2CCN(C(=O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000019497284 558896208 /nfs/dbraw/zinc/89/62/08/558896208.db2.gz AMXWSYPLBQMEIU-IYBDPMFKSA-N 0 1 402.539 2.945 40 0 HFABMN Cc1n[nH]c(C)c1CC(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019578807 558934245 /nfs/dbraw/zinc/93/42/45/558934245.db2.gz UJCMKQIVYMOMIQ-UHFFFAOYSA-N 0 1 424.524 2.889 40 0 HFABMN CCOC(=O)c1[nH]c(C)c(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1C ZINC000072339861 558938626 /nfs/dbraw/zinc/93/86/26/558938626.db2.gz DDVVONJUVNBYLR-UHFFFAOYSA-N 0 1 407.474 2.924 40 0 HFABMN CS(=O)(=O)CCN1C(=O)CC[C@]12CCCN(Cc1ccc3c(c1)CCC3)CC2 ZINC000585100581 559024196 /nfs/dbraw/zinc/02/41/96/559024196.db2.gz OONXNDGRTWNKIA-QFIPXVFZSA-N 0 1 404.576 2.567 40 0 HFABMN COc1ccc(CCN2C[C@H]3CCN(Cc4cccnc4)CC[C@H]3S2(=O)=O)cc1 ZINC000096145516 559097397 /nfs/dbraw/zinc/09/73/97/559097397.db2.gz OOESAKMOVLCGPO-IFMALSPDSA-N 0 1 415.559 2.559 40 0 HFABMN CCN1CC2(CCN(Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O ZINC000096263491 559107067 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2.743 40 0 HFABMN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 ZINC000224318401 569057141 /nfs/dbraw/zinc/05/71/41/569057141.db2.gz BZTWAJHKELEORN-UHFFFAOYSA-N 0 1 422.316 2.582 40 0 HFABMN CCCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCN(CC)CC1 ZINC000226278004 569279049 /nfs/dbraw/zinc/27/90/49/569279049.db2.gz QISDSSKZJZEDPC-UHFFFAOYSA-N 0 1 401.429 2.920 40 0 HFABMN O=C(CN1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[C@@H](c2ccccc2)C1 ZINC000019369965 569345394 /nfs/dbraw/zinc/34/53/94/569345394.db2.gz OJNQMSQXNKPZBC-NHCUHLMSSA-N 0 1 420.557 2.775 40 0 HFABMN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN21 ZINC000253403136 291226499 /nfs/dbraw/zinc/22/64/99/291226499.db2.gz PJDSVYAADDKKCK-GGAORHGYSA-N 0 1 412.509 2.611 40 0 biogenic,in-vitro HFABMN Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)cc1 ZINC000035442481 291227013 /nfs/dbraw/zinc/22/70/13/291227013.db2.gz XNRWCKWYMGDFDL-ZDXQCDESSA-N 0 1 420.557 2.787 40 0 biogenic,in-vitro HFABMN O=C(C[C@@H]1CCCO1)N1CCC(c2ccc3c(n[nH]c3NCc3ncc[nH]3)n2)CC1 ZINC000019745168 558265733 /nfs/dbraw/zinc/26/57/33/558265733.db2.gz GGXYMGSMOQJUJH-HNNXBMFYSA-N 0 1 409.494 2.568 40 0 HFABMN CCc1n[nH]c(-n2ccc3nc(C)c(C(=O)OC)c(-c4ccc(OC)cc4)c3c2=O)n1 ZINC000019819305 558289553 /nfs/dbraw/zinc/28/95/53/558289553.db2.gz HFELXWANFPEEAX-UHFFFAOYSA-N 0 1 419.441 2.837 40 0 HFABMN CCc1nc(-n2ccc3nc(C)c(C(=O)OC)c(-c4ccc(OC)cc4)c3c2=O)n[nH]1 ZINC000019819305 558289556 /nfs/dbraw/zinc/28/95/56/558289556.db2.gz HFELXWANFPEEAX-UHFFFAOYSA-N 0 1 419.441 2.837 40 0 HFABMN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293396 558366568 /nfs/dbraw/zinc/36/65/68/558366568.db2.gz INNDAAZLJNCFMP-RTBURBONSA-N 0 1 415.461 2.981 40 0 HFABMN O=c1cc(C2CC[NH+](Cc3[nH]nnc3-c3ccccc3)CC2)nc(-c2ccccn2)[n-]1 ZINC000072392855 558809158 /nfs/dbraw/zinc/80/91/58/558809158.db2.gz FPDUSKWLJCMDLA-UHFFFAOYSA-N 0 1 413.485 2.997 40 0 HFABMN CC(C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019085540 558841268 /nfs/dbraw/zinc/84/12/68/558841268.db2.gz UKWYNURFYBUWIP-HNNXBMFYSA-N 0 1 400.548 2.752 40 0 HFABMN Clc1nnc2c(CN(CCCN3CCOCC3)Cc3cccnc3)c[nH]cc1-2 ZINC000019338618 558870859 /nfs/dbraw/zinc/87/08/59/558870859.db2.gz ICPXLKXOBKTMLB-UHFFFAOYSA-N 0 1 400.914 2.731 40 0 HFABMN O=C(C1CCC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019343596 558872531 /nfs/dbraw/zinc/87/25/31/558872531.db2.gz QHQZHQZGVRGQGY-INIZCTEOSA-N 0 1 412.559 2.896 40 0 HFABMN C[C@@H](Cn1cccn1)C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019457654 558892238 /nfs/dbraw/zinc/89/22/38/558892238.db2.gz BTWVORHVFOAOIT-KRWDZBQOSA-N 0 1 424.524 2.840 40 0 HFABMN CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2ccc(OC)cc2)CC3)C1 ZINC000019501122 558899094 /nfs/dbraw/zinc/89/90/94/558899094.db2.gz COURLMFQLYVQTR-QGZVFWFLSA-N 0 1 410.518 2.865 40 0 HFABMN Cc1n[nH]c(C)c1CC(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019578804 558934324 /nfs/dbraw/zinc/93/43/24/558934324.db2.gz MYJOUMHCQHLZKF-UHFFFAOYSA-N 0 1 424.524 2.889 40 0 HFABMN COC(=O)[C@]1(Cc2nccc(OC)c2OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340271 558939019 /nfs/dbraw/zinc/93/90/19/558939019.db2.gz CYXIUZNNVMXCHK-YQOVMPOYSA-N 0 1 424.497 2.807 40 0 HFABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cnc3sc(C)cn3c2=O)cc1 ZINC000019660212 558951403 /nfs/dbraw/zinc/95/14/03/558951403.db2.gz GVWDTAQDUGJYKD-GOSISDBHSA-N 0 1 421.482 2.584 40 0 HFABMN CN(C)S(=O)(=O)c1ccc(CNC(=O)c2[nH]nc3c2C[C@H](C(C)(C)C)CC3)cc1 ZINC000019661494 558952522 /nfs/dbraw/zinc/95/25/22/558952522.db2.gz USCZNQNVBPSDQD-OAHLLOKOSA-N 0 1 418.563 2.741 40 0 HFABMN O=C(CCCc1ccccc1)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)[nH]n2)C1 ZINC000072380712 558968695 /nfs/dbraw/zinc/96/86/95/558968695.db2.gz SVOIJLSLWUMMJY-IBGZPJMESA-N 0 1 410.518 2.611 40 0 HFABMN CC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)nc(N(C)CCc3ccccc3)c2C1 ZINC000019711413 558973655 /nfs/dbraw/zinc/97/36/55/558973655.db2.gz RPHKITMWZYSZFZ-HXUWFJFHSA-N 0 1 407.562 2.869 40 0 HFABMN CCCn1cc(CN2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)cn1 ZINC000072395734 558974803 /nfs/dbraw/zinc/97/48/03/558974803.db2.gz OYSDWPNLMOMXSM-YADHBBJMSA-N 0 1 409.534 2.898 40 0 HFABMN COc1ccc2c(c1OC)C(=O)CO[C@@H]2[C@@H]1NCCc2cc3c(c(OC)c21)OCO3 ZINC000095470476 559081180 /nfs/dbraw/zinc/08/11/80/559081180.db2.gz VYZHNAJGVHAHLI-MOPGFXCFSA-N 0 1 413.426 2.582 40 0 HFABMN CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(Cc1ccc(Cl)cc1)CC2 ZINC000096262250 559106342 /nfs/dbraw/zinc/10/63/42/559106342.db2.gz HAAQOJXINXSRDS-RBUKOAKNSA-N 0 1 411.937 2.689 40 0 HFABMN COc1ccc(CN(C)[C@@H]2[C@@H](O)[C@H](Oc3ccccc3Cl)C[C@H]2NC(C)=O)cc1 ZINC000585262279 559110760 /nfs/dbraw/zinc/11/07/60/559110760.db2.gz VCIIOBDIQKESLV-YJMBLLCNSA-N 0 1 418.921 2.866 40 0 HFABMN O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CNCc2ccccc2Cl)[C@@H](O)C1 ZINC000585286236 559121870 /nfs/dbraw/zinc/12/18/70/559121870.db2.gz YCFLENXICKJSKT-FPOVZHCZSA-N 0 1 423.340 2.650 40 0 HFABMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 ZINC000408917282 560653485 /nfs/dbraw/zinc/65/34/85/560653485.db2.gz QIYCFKAANNJHFB-VGOFMYFVSA-N 0 1 419.796 2.686 40 0 HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)N[C@]21C(=O)Nc2ccc(Cl)cc21 ZINC000013573144 560814541 /nfs/dbraw/zinc/81/45/41/560814541.db2.gz QISVXPODGKNSJE-CVCAGPEBSA-N 0 1 421.950 2.612 40 0 HFABMN CCN1c2ccccc2[C@]2(N=C(Nc3cccc(C(F)(F)F)c3)NC(=N)N2)C1=O ZINC000019332700 560872718 /nfs/dbraw/zinc/87/27/18/560872718.db2.gz GXTZUHGUCGIZMU-SFHVURJKSA-N 0 1 402.380 2.611 40 0 HFABMN O[C@@H](COCc1ccc2c(c1)OCO2)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022030593 560890839 /nfs/dbraw/zinc/89/08/39/560890839.db2.gz CHCRSNLJTSQFRK-HXUWFJFHSA-N 0 1 418.921 2.764 40 0 HFABMN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(=O)OC)ccc3OC)ccc21 ZINC000222913366 568530504 /nfs/dbraw/zinc/53/05/04/568530504.db2.gz DUVUASALELAZHH-UHFFFAOYSA-N 0 1 418.471 2.582 40 0 HFABMN CCc1cc(S(=O)(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)ccc1OC ZINC000223683924 568556056 /nfs/dbraw/zinc/55/60/56/568556056.db2.gz BUFVVCLFNLKXEF-UHFFFAOYSA-N 0 1 407.444 2.632 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)s1 ZINC000224284106 568576512 /nfs/dbraw/zinc/57/65/12/568576512.db2.gz PKXIQGLWWIJMCN-LBPRGKRZSA-N 0 1 410.521 2.776 40 0 HFABMN CCc1nnc(Nc2cc(C)nc([C@@H]3CN(C(=O)CN4CCCC4)CCO3)c2)s1 ZINC000257210054 568778926 /nfs/dbraw/zinc/77/89/26/568778926.db2.gz BSYANGRNUVKOLD-KRWDZBQOSA-N 0 1 416.551 2.543 40 0 HFABMN O=C(c1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)N1CCCC1 ZINC000257218396 568781450 /nfs/dbraw/zinc/78/14/50/568781450.db2.gz DCZRFWWSQGMCQX-AWEZNQCLSA-N 0 1 422.938 2.867 40 0 HFABMN Cc1ccc(=O)n(CC(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)n3)C2)n1 ZINC000257233151 568785587 /nfs/dbraw/zinc/78/55/87/568785587.db2.gz GOALKWLTLDHVFM-MRXNPFEDSA-N 0 1 422.464 2.549 40 0 HFABMN Cc1ncccc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257234734 568786174 /nfs/dbraw/zinc/78/61/74/568786174.db2.gz GUWPPRJEOXPOBN-CZYKHXBRSA-N 0 1 413.493 2.694 40 0 HFABMN Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257251634 568790700 /nfs/dbraw/zinc/79/07/00/568790700.db2.gz JRNUSEGPHGQJPL-HNNXBMFYSA-N 0 1 405.499 2.798 40 0 HFABMN COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)c4ccccc4)CC[C@@H]3N2C)cc1 ZINC000306138735 568900576 /nfs/dbraw/zinc/90/05/76/568900576.db2.gz SGDSZNHKTIAZHD-BVSLBCMMSA-N 0 1 407.514 2.546 40 0 HFABMN C[C@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329036644 568973965 /nfs/dbraw/zinc/97/39/65/568973965.db2.gz RKRUMKNSNXOOKZ-SNVBAGLBSA-N 0 1 406.273 2.931 40 0 HFABMN COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCCO4)cc(OC)c1OC ZINC000026850260 569025681 /nfs/dbraw/zinc/02/56/81/569025681.db2.gz ITTGSHFFTHXPNO-IBGZPJMESA-N 0 1 411.410 2.852 40 0 HFABMN c1ccc(C(c2ccccc2)N2CCN(Cc3nnnn3C[C@@H]3CCCO3)CC2)cc1 ZINC000019369529 569030706 /nfs/dbraw/zinc/03/07/06/569030706.db2.gz ZAMHONVMVGWKOU-QFIPXVFZSA-N 0 1 418.545 2.759 40 0 HFABMN O=C(Nc1ccc2ccccc2c1)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 ZINC000224331142 569058573 /nfs/dbraw/zinc/05/85/73/569058573.db2.gz RJNCYQXITLHDEJ-UHFFFAOYSA-N 0 1 418.501 2.821 40 0 HFABMN COc1ccc(S(=O)(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1C ZINC000224345451 569059461 /nfs/dbraw/zinc/05/94/61/569059461.db2.gz QMEUHFDGQYWXKB-UHFFFAOYSA-N 0 1 405.524 2.651 40 0 HFABMN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000248070354 569316055 /nfs/dbraw/zinc/31/60/55/569316055.db2.gz XIGBGXULJODBCZ-MRUHUIDDSA-N 0 1 407.518 2.876 40 0 HFABMN COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)[nH]c(=O)c2C1 ZINC000253592188 569318204 /nfs/dbraw/zinc/31/82/04/569318204.db2.gz UBJARVAUGANOPS-JQHSSLGASA-N 0 1 422.529 2.721 40 0 HFABMN COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)[nH]c(=O)c2C1 ZINC000253592190 569318221 /nfs/dbraw/zinc/31/82/21/569318221.db2.gz UBJARVAUGANOPS-KBAYOESNSA-N 0 1 422.529 2.721 40 0 HFABMN C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019463267 569345511 /nfs/dbraw/zinc/34/55/11/569345511.db2.gz GYIXNGBNPZDIMQ-INMHGKMJSA-N 0 1 412.559 2.752 40 0 HFABMN Cc1ccc2n[nH]c(C(=O)N3CCO[C@@H](c4ccc(-c5cnn(C)c5)cn4)C3)c2c1 ZINC000019693792 569346554 /nfs/dbraw/zinc/34/65/54/569346554.db2.gz OPKLQRFUIVXQAD-HXUWFJFHSA-N 0 1 402.458 2.881 40 0 HFABMN Cc1cc2c(c(C)c1)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2CCCN21 ZINC000009319943 569392230 /nfs/dbraw/zinc/39/22/30/569392230.db2.gz GIOAWWPCSIQNBC-FVJVTNMWSA-N 0 1 419.456 2.874 40 0 HFABMN COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNCc4ccccn4)O3)no2)cc1 ZINC000077263353 291224232 /nfs/dbraw/zinc/22/42/32/291224232.db2.gz IICKBBJBASDUKI-QNWVGRARSA-N 0 1 409.486 2.986 40 0 biogenic,in-vitro HFABMN COc1ccc([C@H](CNC(=O)[C@]2(C)Oc3ccccc3N(C)C2=O)N2CCCC2)cc1 ZINC000041070672 525356486 /nfs/dbraw/zinc/35/64/86/525356486.db2.gz KWTRRTCXKZIPAC-RDPSFJRHSA-N 0 1 423.513 2.762 40 0 HFABMN N=C1NN(c2ccccc2)C2(c3ccncc3C(=O)[O-])C1=C(N)[NH2+]N2c1ccccc1 ZINC000008665865 557799264 /nfs/dbraw/zinc/79/92/64/557799264.db2.gz VTPMRQTZEYVWBF-UHFFFAOYSA-N 0 1 413.441 2.553 40 0 HFABMN O=C(C[C@@H]1CCCCO1)N1CCC(c2ccc3c(n[nH]c3NCc3ncc[nH]3)n2)CC1 ZINC000019745157 558265681 /nfs/dbraw/zinc/26/56/81/558265681.db2.gz HQULOBIYXULHGI-INIZCTEOSA-N 0 1 423.521 2.958 40 0 HFABMN O=C(CN1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1)N1CCC1 ZINC000019761033 558276491 /nfs/dbraw/zinc/27/64/91/558276491.db2.gz ATSHYZJHOKYSFV-OAHLLOKOSA-N 0 1 421.526 2.965 40 0 HFABMN O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1 ZINC000012115950 558328042 /nfs/dbraw/zinc/32/80/42/558328042.db2.gz PHKOSYGQLMAEQO-INIZCTEOSA-N 0 1 414.469 2.657 40 0 HFABMN COc1cc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(OC)cc1Cl ZINC000012200405 558351327 /nfs/dbraw/zinc/35/13/27/558351327.db2.gz UWNKTAASZGTDIJ-UHFFFAOYSA-N 0 1 424.862 2.811 40 0 HFABMN C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nc(-c3cnccn3)[n-]c(=O)c2C1 ZINC000012220791 558355645 /nfs/dbraw/zinc/35/56/45/558355645.db2.gz CGSGYCFSGQTLED-AWEZNQCLSA-N 0 1 405.458 2.605 40 0 HFABMN C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nc(-c3cnccn3)[n-]c(=O)c2C1 ZINC000012220791 558355648 /nfs/dbraw/zinc/35/56/48/558355648.db2.gz CGSGYCFSGQTLED-AWEZNQCLSA-N 0 1 405.458 2.605 40 0 HFABMN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000012292786 558366034 /nfs/dbraw/zinc/36/60/34/558366034.db2.gz ZUDLYQKBLRMDTH-UHFFFAOYSA-N 0 1 410.493 2.644 40 0 HFABMN CC(C)c1ncc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)cn1 ZINC000012366351 558388240 /nfs/dbraw/zinc/38/82/40/558388240.db2.gz CNYAOZMLODDMCW-LIMIJEPZSA-N 0 1 409.534 2.592 40 0 HFABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000015243417 558729685 /nfs/dbraw/zinc/72/96/85/558729685.db2.gz YBPRJBIJMKLNFG-UHFFFAOYSA-N 0 1 402.472 2.963 40 0 HFABMN CCOc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CCN(CC)CC2)cc1 ZINC000035311171 558789759 /nfs/dbraw/zinc/78/97/59/558789759.db2.gz UBYVDXFYMAVZMI-FQEVSTJZSA-N 0 1 412.563 2.909 40 0 HFABMN COc1ccc(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c(OC)c1 ZINC000038771808 558815257 /nfs/dbraw/zinc/81/52/57/558815257.db2.gz VSHSZVWWLXCWKT-UHFFFAOYSA-N 0 1 406.460 2.640 40 0 HFABMN O=C(C1CC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019292125 558864242 /nfs/dbraw/zinc/86/42/42/558864242.db2.gz VLWULZGWXQYRDL-INIZCTEOSA-N 0 1 409.534 2.852 40 0 HFABMN O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019343140 558872487 /nfs/dbraw/zinc/87/24/87/558872487.db2.gz FXLKULBVFURJIQ-OAHLLOKOSA-N 0 1 412.559 2.691 40 0 HFABMN O=C(CCCc1ccccn1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375634 558881752 /nfs/dbraw/zinc/88/17/52/558881752.db2.gz UEGLUSATDMOSNW-INIZCTEOSA-N 0 1 412.515 2.665 40 0 HFABMN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCCO4)[n-]c(=O)c3C2)CC1 ZINC000019495984 558894741 /nfs/dbraw/zinc/89/47/41/558894741.db2.gz QJWVDGXNVSUGKR-PNGKTBNWSA-N 0 1 414.550 2.962 40 0 HFABMN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCCO4)[n-]c(=O)c3C2)CC1 ZINC000019495984 558894744 /nfs/dbraw/zinc/89/47/44/558894744.db2.gz QJWVDGXNVSUGKR-PNGKTBNWSA-N 0 1 414.550 2.962 40 0 HFABMN CCc1n[nH]c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)c1C ZINC000019520974 558902269 /nfs/dbraw/zinc/90/22/69/558902269.db2.gz URJVAHHOOGBWGA-SFHVURJKSA-N 0 1 404.474 2.867 40 0 HFABMN CCn1ncc(-c2cc(C(=O)Nc3ccccc3CN3CCN(C)CC3)no2)c1C ZINC000019524058 558905268 /nfs/dbraw/zinc/90/52/68/558905268.db2.gz OJRQNCSKCVDXIO-UHFFFAOYSA-N 0 1 408.506 2.866 40 0 HFABMN COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)C5CCC5)C4)[nH]c(=O)c3C2)cc1 ZINC000019555546 558918127 /nfs/dbraw/zinc/91/81/27/558918127.db2.gz AXPMBBUJJZFBLP-SFHVURJKSA-N 0 1 422.529 2.865 40 0 HFABMN Cc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)[C@@H](NC(=O)c2ccccc2)CC3)n[nH]1 ZINC000072345858 558942459 /nfs/dbraw/zinc/94/24/59/558942459.db2.gz CXQXRGOBSXURFS-NRFANRHFSA-N 0 1 424.526 2.956 40 0 HFABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cnc3c(C)cccn3c2=O)cc1 ZINC000019663160 558954058 /nfs/dbraw/zinc/95/40/58/558954058.db2.gz NFNSSUFKYJSMAR-HXUWFJFHSA-N 0 1 415.453 2.523 40 0 HFABMN CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CC(=O)N3CCCC3)C2)c1 ZINC000072358559 558954109 /nfs/dbraw/zinc/95/41/09/558954109.db2.gz HJARBVXLZILLAO-LJQANCHMSA-N 0 1 407.518 2.904 40 0 HFABMN COCCN1CC2(CCN(Cc3ccco3)CC2)COc2ccccc2S1(=O)=O ZINC000096037170 559091067 /nfs/dbraw/zinc/09/10/67/559091067.db2.gz CSQPTFLWJRZNIB-UHFFFAOYSA-N 0 1 420.531 2.592 40 0 HFABMN CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CNCCO4)CC3)n2)s1 ZINC000585262964 559111583 /nfs/dbraw/zinc/11/15/83/559111583.db2.gz GDGFNXVRIAOMHR-SFHVURJKSA-N 0 1 415.563 2.929 40 0 HFABMN O=C([C@@H]1CNCCO1)N1CCC(c2cccc(Nc3ncc(Cl)s3)n2)CC1 ZINC000585262897 559111622 /nfs/dbraw/zinc/11/16/22/559111622.db2.gz COQYQADBCGDCHM-AWEZNQCLSA-N 0 1 407.927 2.630 40 0 HFABMN Cc1ncccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 ZINC000257242315 559284237 /nfs/dbraw/zinc/28/42/37/559284237.db2.gz IBWVBMYGOWPGSN-VDKIKQQVSA-N 0 1 423.557 2.694 40 0 HFABMN CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)cs2)s1 ZINC000013996591 560831928 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0 HFABMN COC(=O)CSc1nnc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000225737557 568669572 /nfs/dbraw/zinc/66/95/72/568669572.db2.gz FDJGFPXTGUDNNL-UHFFFAOYSA-N 0 1 424.523 2.793 40 0 HFABMN CCc1nnc(Nc2cc(C)nc([C@H]3CN(C(=O)CN4CCCC4)CCO3)c2)s1 ZINC000257210055 568779241 /nfs/dbraw/zinc/77/92/41/568779241.db2.gz BSYANGRNUVKOLD-QGZVFWFLSA-N 0 1 416.551 2.543 40 0 HFABMN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(Cc1cccc(C)n1)C2 ZINC000257300024 568804518 /nfs/dbraw/zinc/80/45/18/568804518.db2.gz RSPLLGIOQVIITL-WXFUMESZSA-N 0 1 406.530 2.690 40 0 HFABMN O=C(CN1C[C@@H]2[C@@H](Cc3cnccn3)CC[C@@H]2C1)Nc1ccc2c(c1)OCCCO2 ZINC000257320456 568810453 /nfs/dbraw/zinc/81/04/53/568810453.db2.gz VWXFTVKHNJVIPB-MBOZVWFJSA-N 0 1 408.502 2.777 40 0 HFABMN Cc1nc(CN2C[C@@]3(CCN(CC4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 ZINC000306131944 568894266 /nfs/dbraw/zinc/89/42/66/568894266.db2.gz KTQZTVHPRXEAQF-FQEVSTJZSA-N 0 1 419.572 2.889 40 0 HFABMN O=C1N(Cc2ccsc2)CCO[C@@]12CN(Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306137127 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CC(C)C[C@@H](C(=O)NC[C@@H](c1cccs1)N(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000035982417 558837062 /nfs/dbraw/zinc/83/70/62/558837062.db2.gz BZXBUIDYQNGCMI-MHORFTMASA-N 0 1 417.575 2.833 40 0 HFABMN Cc1cccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000019234635 558853989 /nfs/dbraw/zinc/85/39/89/558853989.db2.gz PEURAWYEGXJKRI-QZTJIDSGSA-N 0 1 424.545 2.916 40 0 HFABMN COc1cccc(CC(=O)NC2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)c1 ZINC000019288983 558861752 /nfs/dbraw/zinc/86/17/52/558861752.db2.gz ITQZHKBIEKGUNE-UHFFFAOYSA-N 0 1 419.529 2.814 40 0 HFABMN O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019333170 558869013 /nfs/dbraw/zinc/86/90/13/558869013.db2.gz KZFYFJDIJPSBEQ-KRWDZBQOSA-N 0 1 424.520 2.768 40 0 HFABMN O=C(CCCc1ccncc1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375637 558881685 /nfs/dbraw/zinc/88/16/85/558881685.db2.gz UWLZCUYOMSKZDF-KRWDZBQOSA-N 0 1 412.515 2.665 40 0 HFABMN COc1ncc([C@]2(O)CCC[C@@H]3CN(Cc4ccc(F)cc4F)C[C@@H]32)c(OC)n1 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HFABMN COc1ccccc1N1C(=O)/C(=C/c2ccc(Br)o2)C(=O)NC1=S ZINC000008169227 569339780 /nfs/dbraw/zinc/33/97/80/569339780.db2.gz GIXZHJKDDSBMJQ-CSKARUKUSA-N 0 1 407.245 2.882 40 0 HFABMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c([N+](=O)[O-])cc1OC ZINC000034864385 569351602 /nfs/dbraw/zinc/35/16/02/569351602.db2.gz ZBRGLMHMZOAMTE-WUXMJOGZSA-N 0 1 401.331 2.707 40 0 HFABMN COc1ccccc1-c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)n(C)n1 ZINC000012602010 291225667 /nfs/dbraw/zinc/22/56/67/291225667.db2.gz DHSIUMPLYCJUBT-SCTDSRPQSA-N 0 1 411.550 2.981 40 0 biogenic,in-vitro HFABMN O=C(Nc1ccccc1)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1 ZINC000008298328 291229243 /nfs/dbraw/zinc/22/92/43/291229243.db2.gz MQPNCVVPGQCVFK-RLLQIKCJSA-N 0 1 409.534 2.779 40 0 biogenic,in-vitro HFABMN O=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000012114678 132354271 /nfs/dbraw/zinc/35/42/71/132354271.db2.gz YLEDOTZHTNAFPA-UHFFFAOYSA-N 0 1 420.517 2.544 40 0 HFABMN COc1ccccc1CN1CCCc2c(C)nc([C@@H]3CCCN3C(=O)CN(C)C)nc21 ZINC000072373760 524452410 /nfs/dbraw/zinc/45/24/10/524452410.db2.gz ODKSWTITWBPPDQ-FQEVSTJZSA-N 0 1 423.561 2.972 40 0 HFABMN COc1ccc([C@H](CNC(=O)[C@@]2(C)Oc3ccccc3N(C)C2=O)N2CCCC2)cc1 ZINC000041070674 525356941 /nfs/dbraw/zinc/35/69/41/525356941.db2.gz KWTRRTCXKZIPAC-GBXCKJPGSA-N 0 1 423.513 2.762 40 0 HFABMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(Cl)c1Cl ZINC000408612126 557530149 /nfs/dbraw/zinc/53/01/49/557530149.db2.gz UHYNBSJQLBDQNH-UHFFFAOYSA-N 0 1 416.286 2.993 40 0 HFABMN Cc1ccc([C@@H](CCC(=O)[O-])[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000408613625 557532167 /nfs/dbraw/zinc/53/21/67/557532167.db2.gz YZGRURVZBBGNFG-HXUWFJFHSA-N 0 1 402.516 2.907 40 0 HFABMN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2CC(C)C)C(=O)Nc2c1cccc2Cl ZINC000008995014 557818020 /nfs/dbraw/zinc/81/80/20/557818020.db2.gz YVBFETMUQGQIFV-VCAMNPENSA-N 0 1 403.910 2.907 40 0 HFABMN CCOc1ccc(CN2CCCC[C@@H]2c2nc3c(c(NC)n2)CCNC3)cc1CO ZINC000019754867 558273755 /nfs/dbraw/zinc/27/37/55/558273755.db2.gz ZMGNBLYPQXLRCJ-HXUWFJFHSA-N 0 1 411.550 2.782 40 0 HFABMN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3cnc(C)nc3)C1)O2 ZINC000012235384 558358534 /nfs/dbraw/zinc/35/85/34/558358534.db2.gz FHTPZEHCBQTDKZ-CVDCTZTESA-N 0 1 410.518 2.815 40 0 HFABMN COc1ccccc1N1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3C(C)=O)CC1 ZINC000036741179 558801871 /nfs/dbraw/zinc/80/18/71/558801871.db2.gz KFEWELSLWZTLHK-HSZRJFAPSA-N 0 1 409.530 2.850 40 0 HFABMN Cc1cccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000019234636 558854043 /nfs/dbraw/zinc/85/40/43/558854043.db2.gz PEURAWYEGXJKRI-HDICACEKSA-N 0 1 424.545 2.916 40 0 HFABMN Cc1ccn(CCC(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)n1 ZINC000019238100 558857168 /nfs/dbraw/zinc/85/71/68/558857168.db2.gz FFHYHLKNCHBLDM-UHFFFAOYSA-N 0 1 424.524 2.902 40 0 HFABMN Cn1nccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019289138 558862105 /nfs/dbraw/zinc/86/21/05/558862105.db2.gz QVDCLRCVAMVUEC-LJQANCHMSA-N 0 1 424.549 2.974 40 0 HFABMN O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019333167 558868994 /nfs/dbraw/zinc/86/89/94/558868994.db2.gz KZFYFJDIJPSBEQ-QGZVFWFLSA-N 0 1 424.520 2.768 40 0 HFABMN O=C(c1cnccn1)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019375581 558881723 /nfs/dbraw/zinc/88/17/23/558881723.db2.gz MTSDUELCFLYRBK-UHFFFAOYSA-N 0 1 408.502 2.525 40 0 HFABMN O=C(Cc1cccc(F)c1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000019375649 558881909 /nfs/dbraw/zinc/88/19/09/558881909.db2.gz SLJDGUJPHFTOMJ-HNNXBMFYSA-N 0 1 401.463 2.629 40 0 HFABMN O=C1CCCC[C@]2(CN(Cc3cnc(N4CCCCC4)nc3)C[C@H]2c2ccccn2)N1 ZINC000019402276 558883744 /nfs/dbraw/zinc/88/37/44/558883744.db2.gz BYOBZVFIXPYLHW-GBXCKJPGSA-N 0 1 420.561 2.890 40 0 HFABMN CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019501595 558899732 /nfs/dbraw/zinc/89/97/32/558899732.db2.gz XRPJXXJBJXMXDW-KRWDZBQOSA-N 0 1 412.509 2.973 40 0 HFABMN COc1ccc(CN2C[C@@H](c3cccc(F)c3)[C@]3(C2)COCCC(=O)N3)c(OC)c1 ZINC000019552520 558916012 /nfs/dbraw/zinc/91/60/12/558916012.db2.gz CNDWGOGQRXJERS-REWPJTCUSA-N 0 1 414.477 2.718 40 0 HFABMN C=Cn1cc(CN2CCC(n3nnc4c3nc(CSCC)[nH]c4=O)CC2)c(C)n1 ZINC000072337404 558937793 /nfs/dbraw/zinc/93/77/93/558937793.db2.gz GCJWXDMDIFSPIF-UHFFFAOYSA-N 0 1 414.539 2.623 40 0 HFABMN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cnc(C)cn4)C3)n[nH]2)cc1 ZINC000072371414 558958226 /nfs/dbraw/zinc/95/82/26/558958226.db2.gz IMKGHHNCMVSKRQ-MRXNPFEDSA-N 0 1 407.474 2.768 40 0 HFABMN COCCN(Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000072391961 558971695 /nfs/dbraw/zinc/97/16/95/558971695.db2.gz FHSISRUGBRMSQT-UHFFFAOYSA-N 0 1 422.529 2.652 40 0 HFABMN CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(Cc2ccc(F)cc2)CC3)C1=O ZINC000096036579 559090460 /nfs/dbraw/zinc/09/04/60/559090460.db2.gz XJVQJXUEKUDMFY-HSZRJFAPSA-N 0 1 416.541 2.644 40 0 HFABMN Cc1nc(CN2CCN(C)C3(CCN(Cc4ccc(F)cc4)CC3)C2=O)cs1 ZINC000096050108 559092080 /nfs/dbraw/zinc/09/20/80/559092080.db2.gz CROJJXYFXRFCHG-UHFFFAOYSA-N 0 1 402.539 2.899 40 0 HFABMN COCCN1CCN(c2ccc3ccc(C(=O)Nc4ccc(OC)cc4)cn32)CC1 ZINC000096267351 559108055 /nfs/dbraw/zinc/10/80/55/559108055.db2.gz XQWNPGSHMWMMIM-UHFFFAOYSA-N 0 1 408.502 2.969 40 0 HFABMN CCCc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CNCCO4)CC3)n2)s1 ZINC000585262960 559111633 /nfs/dbraw/zinc/11/16/33/559111633.db2.gz GDGFNXVRIAOMHR-GOSISDBHSA-N 0 1 415.563 2.929 40 0 HFABMN O=C(CN1CCC[C@](O)(COc2ccccc2F)CC1)NCc1cccc(F)c1 ZINC000585273481 559117460 /nfs/dbraw/zinc/11/74/60/559117460.db2.gz OODHCQRSMAFYMZ-JOCHJYFZSA-N 0 1 404.457 2.877 40 0 HFABMN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N2CCN(C)CC2)cc1 ZINC000072216591 559169551 /nfs/dbraw/zinc/16/95/51/559169551.db2.gz XSTMACVGZRGVJW-HXUWFJFHSA-N 0 1 400.548 2.668 40 0 HFABMN O=C(NCc1cccnc1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008254221 560107897 /nfs/dbraw/zinc/10/78/97/560107897.db2.gz HAYDXWNACVCRHA-MZYLBHOOSA-N 0 1 422.577 2.823 40 0 biogenic,in-vitro HFABMN COc1ccc(C)cc1S(=O)(=O)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000222981714 568533136 /nfs/dbraw/zinc/53/31/36/568533136.db2.gz VSYVKQVBZLEKAQ-UHFFFAOYSA-N 0 1 404.517 2.859 40 0 HFABMN COc1ccc(S(=O)(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1C ZINC000222994052 568533625 /nfs/dbraw/zinc/53/36/25/568533625.db2.gz WBYJHKMUBLAGBC-UHFFFAOYSA-N 0 1 404.517 2.859 40 0 HFABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000223721690 568557389 /nfs/dbraw/zinc/55/73/89/568557389.db2.gz KFEKKAYGZXKQDE-UHFFFAOYSA-N 0 1 400.456 2.573 40 0 HFABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000223843859 568560568 /nfs/dbraw/zinc/56/05/68/568560568.db2.gz AAICWMPNMLAJAM-UHFFFAOYSA-N 0 1 423.922 2.679 40 0 HFABMN COC(=O)CSc1nnc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)s1 ZINC000225475754 568641412 /nfs/dbraw/zinc/64/14/12/568641412.db2.gz ZCIZCFOVUMVISA-CYBMUJFWSA-N 0 1 424.523 2.793 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc3ccccc32)s1 ZINC000225823634 568677946 /nfs/dbraw/zinc/67/79/46/568677946.db2.gz GBQJFIOSJRDKAJ-UHFFFAOYSA-N 0 1 404.517 2.951 40 0 HFABMN NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1OCc1ccccn1 ZINC000257202303 568776790 /nfs/dbraw/zinc/77/67/90/568776790.db2.gz ALFBLGQKGPSJNT-QHCPKHFHSA-N 0 1 416.525 2.832 40 0 HFABMN Cn1cc(CN2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cn1 ZINC000257203331 568777118 /nfs/dbraw/zinc/77/71/18/568777118.db2.gz APORFBLCPNIEID-FQEVSTJZSA-N 0 1 401.898 2.992 40 0 HFABMN O=C(c1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000257253240 568791166 /nfs/dbraw/zinc/79/11/66/568791166.db2.gz JYCCOYOTMVNUBH-CQSZACIVSA-N 0 1 422.938 2.867 40 0 HFABMN CN(C(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O ZINC000257284290 568799672 /nfs/dbraw/zinc/79/96/72/568799672.db2.gz PCBPNRYQTOZHIX-MBOZVWFJSA-N 0 1 401.898 2.959 40 0 HFABMN O=C([O-])COc1ccccc1C[N@H+]1CCC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257306326 568806564 /nfs/dbraw/zinc/80/65/64/568806564.db2.gz STVOFJNSYAKNEA-INIZCTEOSA-N 0 1 407.474 2.785 40 0 HFABMN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1cccnc1)C[C@@H]2c1cccnc1 ZINC000306130358 568892765 /nfs/dbraw/zinc/89/27/65/568892765.db2.gz JDKBTWHNXDXAHP-NOZRDPDXSA-N 0 1 414.509 2.874 40 0 HFABMN CN1CC2(CCN(Cc3ccc(F)cc3)CC2)COc2ncccc2S1(=O)=O ZINC000306133421 568895297 /nfs/dbraw/zinc/89/52/97/568895297.db2.gz MKRRFRJMNLGKHS-UHFFFAOYSA-N 0 1 405.495 2.516 40 0 HFABMN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccccn1)C[C@@H]2c1cccnc1 ZINC000306142293 568903734 /nfs/dbraw/zinc/90/37/34/568903734.db2.gz WVMSNBNZUDXNJS-NOZRDPDXSA-N 0 1 414.509 2.874 40 0 HFABMN Cc1cccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 ZINC000224275608 569056828 /nfs/dbraw/zinc/05/68/28/569056828.db2.gz DAXIDBSASQUMKN-UHFFFAOYSA-N 0 1 409.515 2.912 40 0 HFABMN COc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2N(C)C)cc1Cl ZINC000224344206 569059438 /nfs/dbraw/zinc/05/94/38/569059438.db2.gz RMLMMBVAYPBUNQ-UHFFFAOYSA-N 0 1 411.915 2.606 40 0 HFABMN COc1ncc(CN2CC[C@H](c3c(CNC(C)=O)cnn3-c3ccc(C)cc3)C2)cn1 ZINC000019708010 569348079 /nfs/dbraw/zinc/34/80/79/569348079.db2.gz FWXFCVRWUDJKBA-IBGZPJMESA-N 0 1 420.517 2.605 40 0 HFABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(C)C)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000043730154 522105694 /nfs/dbraw/zinc/10/56/94/522105694.db2.gz AZBQPUGGUIPFCL-RXKDXDIWSA-N 0 1 403.910 2.905 40 0 HFABMN CCN(CC)CCN(S(=O)(=O)Cc1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000005469532 557655550 /nfs/dbraw/zinc/65/55/50/557655550.db2.gz RRDQITRATDNKCS-UHFFFAOYSA-N 0 1 424.588 2.690 40 0 HFABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000010008980 557853266 /nfs/dbraw/zinc/85/32/66/557853266.db2.gz KBTHJBPLLXBSIJ-UHFFFAOYSA-N 0 1 420.487 2.811 40 0 HFABMN Cc1c(CN2CCC[C@@H](c3nc(C)c4c(n3)N(CC3CC3)C(=O)CC4)C2)cnn1C ZINC000019741353 558262040 /nfs/dbraw/zinc/26/20/40/558262040.db2.gz JFRAGZQAGPMGHD-GOSISDBHSA-N 0 1 408.550 2.896 40 0 HFABMN CN(C)C(=O)CN1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019760976 558276483 /nfs/dbraw/zinc/27/64/83/558276483.db2.gz ZKNLIPZCWTUCMN-AWEZNQCLSA-N 0 1 409.515 2.821 40 0 HFABMN COc1ccc(-c2cc(C(=O)N3CCC4(CC3)NC(=O)c3ccccc3O4)n[nH]2)cc1 ZINC000012116295 558328541 /nfs/dbraw/zinc/32/85/41/558328541.db2.gz JCZGYWKXBKKGKM-UHFFFAOYSA-N 0 1 418.453 2.840 40 0 HFABMN CCOc1ccc(N2C(=O)C[C@@H](NCc3n[nH]c(=S)n3-c3ccccc3)C2=O)cc1 ZINC000020176559 558343838 /nfs/dbraw/zinc/34/38/38/558343838.db2.gz XYYDPICBESSRTG-QGZVFWFLSA-N 0 1 423.498 2.750 40 0 HFABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)Cc1cccc(C)c1 ZINC000020459282 558371730 /nfs/dbraw/zinc/37/17/30/558371730.db2.gz OWEINBXSXBUERI-UHFFFAOYSA-N 0 1 412.533 2.632 40 0 HFABMN COc1ccc(S(=O)(=O)N2Cc3ccccc3OC3(CCN(C)CC3)C2)cc1 ZINC000012365200 558387620 /nfs/dbraw/zinc/38/76/20/558387620.db2.gz FFDHRGSBKXDUAO-UHFFFAOYSA-N 0 1 402.516 2.743 40 0 HFABMN CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccc(OC)cc1 ZINC000022461509 558490970 /nfs/dbraw/zinc/49/09/70/558490970.db2.gz UCIWUQAFIWRWFY-GOSISDBHSA-N 0 1 416.591 2.812 40 0 HFABMN Cc1ccc2nc(CCc3ccc(NC(=O)CN4C(=O)NC(C)(C)C4=O)cc3)[nH]c2c1 ZINC000019221554 558851984 /nfs/dbraw/zinc/85/19/84/558851984.db2.gz FYWJFKXSQVTSOB-UHFFFAOYSA-N 0 1 419.485 2.925 40 0 HFABMN CCc1nccn1CC(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 ZINC000019523522 558904738 /nfs/dbraw/zinc/90/47/38/558904738.db2.gz PZVIZBLGPVNHHL-UHFFFAOYSA-N 0 1 424.524 2.766 40 0 HFABMN Cc1nn(CC(=O)NCCn2nc(-c3ccccc3F)cc2CN(C)C)c(C)c1C ZINC000019556652 558919089 /nfs/dbraw/zinc/91/90/89/558919089.db2.gz CHCXIZDOUHXMGX-UHFFFAOYSA-N 0 1 412.513 2.689 40 0 HFABMN COc1ccccc1CN1CCC[C@@]2(C1)CN(S(C)(=O)=O)Cc1ccccc1O2 ZINC000019570396 558929262 /nfs/dbraw/zinc/92/92/62/558929262.db2.gz XMHAQJHNFJWLKM-JOCHJYFZSA-N 0 1 416.543 2.884 40 0 HFABMN CN(C)C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000019581395 558936928 /nfs/dbraw/zinc/93/69/28/558936928.db2.gz PJMFVODFSLDHCM-UHFFFAOYSA-N 0 1 424.530 2.579 40 0 HFABMN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3cn(C)nc3C)C1)O2 ZINC000019583789 558938004 /nfs/dbraw/zinc/93/80/04/558938004.db2.gz RFUNNJPYRIUQHL-JPYJTQIMSA-N 0 1 412.534 2.759 40 0 HFABMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000019659198 558950748 /nfs/dbraw/zinc/95/07/48/558950748.db2.gz GRLMPCCOZMYSKX-GOSISDBHSA-N 0 1 411.550 2.521 40 0 HFABMN Cc1cc2oc(=O)cc(C)c2cc1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 ZINC000019691005 558960622 /nfs/dbraw/zinc/96/06/22/558960622.db2.gz DZHKOFQGQKGJRS-FQEVSTJZSA-N 0 1 408.498 2.972 40 0 HFABMN O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1cc(C(=O)N2CCOCC2)[nH]n1 ZINC000072380738 558968980 /nfs/dbraw/zinc/96/89/80/558968980.db2.gz BGYSYILZQAFGQG-OAQYLSRUSA-N 0 1 421.501 2.660 40 0 HFABMN O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000257299060 559009445 /nfs/dbraw/zinc/00/94/45/559009445.db2.gz ROOULFYYWGUYBD-SVFBPWRDSA-N 0 1 412.578 2.940 40 0 HFABMN CCN1CC2(CCN(Cc3c(C)noc3C)CC2)COc2ccccc2S1(=O)=O ZINC000096145130 559097117 /nfs/dbraw/zinc/09/71/17/559097117.db2.gz HRJRKKIOEKOYQP-UHFFFAOYSA-N 0 1 419.547 2.977 40 0 HFABMN O=C(NCc1ccccn1)c1ccc2c(c1)[C@@H](c1nc[nH]n1)CN2C(=O)c1ccccc1 ZINC000096156487 559100499 /nfs/dbraw/zinc/10/04/99/559100499.db2.gz YHFOMXBCRAVMBE-FQEVSTJZSA-N 0 1 424.464 2.922 40 0 HFABMN CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)N3CCCCC3)cn21 ZINC000096268082 559108462 /nfs/dbraw/zinc/10/84/62/559108462.db2.gz SKXCDDFAHUBRQR-HXUWFJFHSA-N 0 1 410.566 2.833 40 0 HFABMN CCN1CCN([C@H](c2nnnn2C(C)(C)C)c2cc3cc(C)cc(C)c3[nH]c2=O)CC1 ZINC000019527926 560874540 /nfs/dbraw/zinc/87/45/40/560874540.db2.gz ZOEFFWHAQZVNLU-FQEVSTJZSA-N 0 1 423.565 2.613 40 0 HFABMN CCN1CCN([C@H](c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000019527932 560874654 /nfs/dbraw/zinc/87/46/54/560874654.db2.gz UWVHRMUCWCGYDP-NRFANRHFSA-N 0 1 421.549 2.665 40 0 HFABMN CC[C@@H](C)[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1F)C(=O)OC ZINC000036575426 560882004 /nfs/dbraw/zinc/88/20/04/560882004.db2.gz ODNIKYXMQGDJFM-ONUMYQOESA-N 0 1 406.433 2.933 40 0 HFABMN O[C@H](COCc1ccc2c(c1)OCO2)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022030589 560890833 /nfs/dbraw/zinc/89/08/33/560890833.db2.gz CHCRSNLJTSQFRK-FQEVSTJZSA-N 0 1 418.921 2.764 40 0 HFABMN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1CCCN1CCOCC1 ZINC000222733659 568525023 /nfs/dbraw/zinc/52/50/23/568525023.db2.gz UEUOPSCTQTVPMR-RTWAWAEBSA-N 0 1 413.591 2.825 40 0 HFABMN O=C(Nc1nnc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1)c1ccccc1Cl ZINC000223077637 568536622 /nfs/dbraw/zinc/53/66/22/568536622.db2.gz YNERUUWHKNTFRY-OPQQBVKSSA-N 0 1 412.924 2.911 40 0 HFABMN COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 ZINC000223789927 568559283 /nfs/dbraw/zinc/55/92/83/568559283.db2.gz SJUBYKNLJZCZMI-UHFFFAOYSA-N 0 1 418.471 2.718 40 0 HFABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2Br)s1 ZINC000225877770 568682873 /nfs/dbraw/zinc/68/28/73/568682873.db2.gz OQDPGBAZHZCVDH-UHFFFAOYSA-N 0 1 405.299 2.696 40 0 HFABMN O=C(c1ccn[nH]1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1 ZINC000257214911 568780412 /nfs/dbraw/zinc/78/04/12/568780412.db2.gz CNYCSFITBVAMRL-SFHVURJKSA-N 0 1 401.854 2.621 40 0 HFABMN CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000257223857 568783085 /nfs/dbraw/zinc/78/30/85/568783085.db2.gz DZFMOMWEJYHUJL-NVXWUHKLSA-N 0 1 423.517 2.724 40 0 HFABMN Cc1nc2ccc(NC(=O)CN3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)cc2[nH]1 ZINC000257227097 568784154 /nfs/dbraw/zinc/78/41/54/568784154.db2.gz FNPYWOGTLVSPRG-YADARESESA-N 0 1 417.513 2.948 40 0 HFABMN CCn1cc(NC(=O)CN2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)c(C)n1 ZINC000257241447 568787903 /nfs/dbraw/zinc/78/79/03/568787903.db2.gz HYBIYPIXXGOCEE-IZIIKQMZSA-N 0 1 423.561 2.894 40 0 HFABMN CCn1cc(CN2CCO[C@H](c3cc(CCOc4cccc(OC)c4)[nH]n3)C2)cn1 ZINC000257265601 568794270 /nfs/dbraw/zinc/79/42/70/568794270.db2.gz LZJAFOHOUIZLKR-QFIPXVFZSA-N 0 1 411.506 2.830 40 0 HFABMN CC(C)C[C@@H]1[C@H](Nc2ccccc2)CCCN1C(=O)CN1CCC(C(N)=O)CC1 ZINC000257319819 568810257 /nfs/dbraw/zinc/81/02/57/568810257.db2.gz VUEVPOZOARBLHQ-NHCUHLMSSA-N 0 1 400.567 2.702 40 0 HFABMN Cc1ccc(C[C@H]2CC[C@@H]3CN(CC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)C[C@H]23)nc1 ZINC000257341240 568816458 /nfs/dbraw/zinc/81/64/58/568816458.db2.gz ZJMICIRRARDEBH-GPMSIDNRSA-N 0 1 405.502 2.699 40 0 HFABMN Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000224304456 569057040 /nfs/dbraw/zinc/05/70/40/569057040.db2.gz KWSNZRNRQSOOMS-UHFFFAOYSA-N 0 1 416.425 2.750 40 0 HFABMN COc1ncc([C@]2(O)CCC[C@H]3CN(Cc4ccc(F)cc4F)C[C@H]32)c(OC)n1 ZINC000247887586 569315705 /nfs/dbraw/zinc/31/57/05/569315705.db2.gz SFHFTUGTFJFNDS-KPFBPEDLSA-N 0 1 405.445 2.892 40 0 HFABMN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000248070362 569316103 /nfs/dbraw/zinc/31/61/03/569316103.db2.gz XIGBGXULJODBCZ-ZOCZFRKYSA-N 0 1 407.518 2.876 40 0 HFABMN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1OC ZINC000006624698 569333975 /nfs/dbraw/zinc/33/39/75/569333975.db2.gz WBUYOQWZOSUFQY-UHFFFAOYSA-N 0 1 414.531 2.582 40 0 HFABMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1OCC#N ZINC000006861067 569334810 /nfs/dbraw/zinc/33/48/10/569334810.db2.gz GUPMDPULPHNJAX-RVDMUPIBSA-N 0 1 407.451 2.737 40 0 HFABMN NC(=O)COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000033388843 569350499 /nfs/dbraw/zinc/35/04/99/569350499.db2.gz ILDZWIWKEXKYQI-JYRVWZFOSA-N 0 1 415.858 2.876 40 0 HFABMN COC(=O)COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000052410694 569352280 /nfs/dbraw/zinc/35/22/80/569352280.db2.gz GLALZQONCAYJAI-UHFFFAOYSA-N 0 1 415.851 2.710 40 0 HFABMN CN(C)CCNc1nc(-c2cccnc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000329070892 571304693 /nfs/dbraw/zinc/30/46/93/571304693.db2.gz ZKQIQPZFNVAQFZ-UHFFFAOYSA-N 0 1 421.402 3.508 40 0 HFABMN Cc1nc(-c2ccccc2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)N2CCOCC2)n1 ZINC000015672526 291227186 /nfs/dbraw/zinc/22/71/86/291227186.db2.gz PKZFIWUOWOLCGC-HBMCJLEFSA-N 0 1 421.545 2.672 40 0 biogenic,in-vitro HFABMN Cc1nc(-c2ccccc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)N2CCOCC2)n1 ZINC000015672526 291227190 /nfs/dbraw/zinc/22/71/90/291227190.db2.gz PKZFIWUOWOLCGC-HBMCJLEFSA-N 0 1 421.545 2.672 40 0 biogenic,in-vitro HFABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cnc3c(C)cccn3c2=O)cc1 ZINC000019663157 525442461 /nfs/dbraw/zinc/44/24/61/525442461.db2.gz NFNSSUFKYJSMAR-FQEVSTJZSA-N 0 1 415.453 2.523 40 0 HFABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)c1 ZINC000408604376 557526537 /nfs/dbraw/zinc/52/65/37/557526537.db2.gz MAQMWXZHKRGYTI-AWEZNQCLSA-N 0 1 422.503 2.797 40 0 HFABMN CNc1ncccc1CN1CCC(Cc2nc(C)ncc2C(=O)N2CCCC2)CC1 ZINC000019757218 558274804 /nfs/dbraw/zinc/27/48/04/558274804.db2.gz XJDNFXFZPXHDIU-UHFFFAOYSA-N 0 1 408.550 2.912 40 0 HFABMN Cc1ccc(CC(=O)N2CCC(c3[nH]ncc3C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019209314 558847878 /nfs/dbraw/zinc/84/78/78/558847878.db2.gz JTMGXNCVQARIMF-HDICACEKSA-N 0 1 424.545 2.916 40 0 HFABMN Cc1ccccc1OCCN1CCN(Cc2cn(CC(N)=O)c3ccccc23)CC1 ZINC000019237415 558856642 /nfs/dbraw/zinc/85/66/42/558856642.db2.gz QFXOIKMFJZNQHS-UHFFFAOYSA-N 0 1 406.530 2.632 40 0 HFABMN Cn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)cn1 ZINC000019290561 558863052 /nfs/dbraw/zinc/86/30/52/558863052.db2.gz ZOOHBVNFLLHWQB-FQEVSTJZSA-N 0 1 424.549 2.562 40 0 HFABMN Cn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)cn1 ZINC000019290561 558863053 /nfs/dbraw/zinc/86/30/53/558863053.db2.gz ZOOHBVNFLLHWQB-FQEVSTJZSA-N 0 1 424.549 2.562 40 0 HFABMN O=C(C1CC1)N1CCc2nc([C@H]3CCCN(Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019349031 558874862 /nfs/dbraw/zinc/87/48/62/558874862.db2.gz ZDEJWVJQSICMKQ-KRWDZBQOSA-N 0 1 410.493 2.583 40 0 HFABMN O=C(CCn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019406118 558885041 /nfs/dbraw/zinc/88/50/41/558885041.db2.gz IPLGQSSSQVAVMV-HXUWFJFHSA-N 0 1 424.549 2.823 40 0 HFABMN CC(C)N1CCc2nc3cc(C(=O)NCCc4cccc(F)c4)ccc3c(=O)n2CC1 ZINC000019448623 558887402 /nfs/dbraw/zinc/88/74/02/558887402.db2.gz OCFQBNNLOQIYDD-UHFFFAOYSA-N 0 1 422.504 2.775 40 0 HFABMN O=C(c1cn[nH]c1[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1)N1CCCC1 ZINC000072344754 558941056 /nfs/dbraw/zinc/94/10/56/558941056.db2.gz MBFZSHNWOFYARX-LAUBAEHRSA-N 0 1 408.502 2.666 40 0 HFABMN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(Cc4ccnn4C)C3)c2)cn1 ZINC000072353681 558950700 /nfs/dbraw/zinc/95/07/00/558950700.db2.gz RRMZISNKYCCGGO-GOSISDBHSA-N 0 1 404.518 2.925 40 0 HFABMN COc1ccccc1OCCc1cc([C@H]2CCN(C(=O)Cn3nc(C)cc3C)C2)n[nH]1 ZINC000072371495 558958396 /nfs/dbraw/zinc/95/83/96/558958396.db2.gz PMBLIHUMOWKCQT-SFHVURJKSA-N 0 1 423.517 2.869 40 0 HFABMN Cn1cc(C(=O)N2CCC[C@@H]2c2cc(CCOc3cccc(F)c3)[nH]n2)ccc1=O ZINC000072378351 558967597 /nfs/dbraw/zinc/96/75/97/558967597.db2.gz PDIXSPRTMDSUMP-HXUWFJFHSA-N 0 1 410.449 2.846 40 0 HFABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)COc1c(C)cccc1C)CC2 ZINC000019710558 558972634 /nfs/dbraw/zinc/97/26/34/558972634.db2.gz FPPWXLODSXQIOK-GOSISDBHSA-N 0 1 423.561 2.908 40 0 HFABMN CN(Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)CCc1cccnc1)CC2 ZINC000585103612 559025638 /nfs/dbraw/zinc/02/56/38/559025638.db2.gz HOMSOGJAMJMCIT-QFIPXVFZSA-N 0 1 408.546 2.939 40 0 HFABMN COCCN1CCN(c2ccc3ccc(C(=O)NCc4cccc(F)c4)cn32)CC1 ZINC000096155902 559099982 /nfs/dbraw/zinc/09/99/82/559099982.db2.gz AQVURFPONOLZFR-UHFFFAOYSA-N 0 1 410.493 2.777 40 0 HFABMN CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NC3CCCC3)cn21 ZINC000096156792 559100695 /nfs/dbraw/zinc/10/06/95/559100695.db2.gz DMGQJHMGVSLINT-HXUWFJFHSA-N 0 1 410.566 2.879 40 0 HFABMN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@]2(C[C@H](CN3CCOCC3)CO2)C1 ZINC000096228408 559102757 /nfs/dbraw/zinc/10/27/57/559102757.db2.gz CJLBPZUSUFAEMP-YKSBVNFPSA-N 0 1 409.530 2.821 40 0 HFABMN CN(C)c1ccc(C(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 ZINC000096239945 559103488 /nfs/dbraw/zinc/10/34/88/559103488.db2.gz HCAJONISEJIPNT-UHFFFAOYSA-N 0 1 408.546 2.902 40 0 HFABMN COCCN1[C@H]2CCN(Cc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263918 559107323 /nfs/dbraw/zinc/10/73/23/559107323.db2.gz KOMLBAUMLRUBEK-PMACEKPBSA-N 0 1 416.543 2.749 40 0 HFABMN COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000585262180 559110526 /nfs/dbraw/zinc/11/05/26/559110526.db2.gz KQDKQIACCVWUND-LGKPFJOYSA-N 0 1 410.514 2.860 40 0 HFABMN Cc1cc(C)cc(O[C@H]2CN(Cc3ccc(OCCN4CCCC4=O)cc3)C[C@@H]2O)c1 ZINC000585267794 559112981 /nfs/dbraw/zinc/11/29/81/559112981.db2.gz BQHXMVYEHPHKBA-ZEQRLZLVSA-N 0 1 424.541 2.929 40 0 HFABMN O[C@H]1CN(Cc2ccc(OCCn3cncn3)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000585268803 559114068 /nfs/dbraw/zinc/11/40/68/559114068.db2.gz VSSDBXCPZUCSQN-SFTDATJTSA-N 0 1 414.893 2.635 40 0 HFABMN O=C(CN1CCC[C@@](O)(COc2ccccc2F)CC1)NCc1cccc(F)c1 ZINC000585273492 559117409 /nfs/dbraw/zinc/11/74/09/559117409.db2.gz OODHCQRSMAFYMZ-QFIPXVFZSA-N 0 1 404.457 2.877 40 0 HFABMN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCN(C)CC3)nc2)cc1 ZINC000072216532 559169599 /nfs/dbraw/zinc/16/95/99/559169599.db2.gz PQHUSTOYYHCGAD-FQEVSTJZSA-N 0 1 400.548 2.668 40 0 HFABMN Cc1nc(COC[C@H]2CCN(C)C3(CN(C(=O)c4cccc(O)c4)C3)C2)cs1 ZINC000575403119 560546884 /nfs/dbraw/zinc/54/68/84/560546884.db2.gz IWNDKTVUSYTOKE-INIZCTEOSA-N 0 1 401.532 2.910 40 0 HFABMN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(=O)OC)cc3)c(Cl)cc21 ZINC000223365146 568546627 /nfs/dbraw/zinc/54/66/27/568546627.db2.gz JHCKIFWMIZFEQW-UHFFFAOYSA-N 0 1 410.835 2.855 40 0 HFABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)s1 ZINC000223514622 568550796 /nfs/dbraw/zinc/55/07/96/568550796.db2.gz XGKIKVRHBAOPRZ-AWEZNQCLSA-N 0 1 412.537 2.961 40 0 HFABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3cccc(C)c3)s2)cc1 ZINC000224907238 568603408 /nfs/dbraw/zinc/60/34/08/568603408.db2.gz BXKDVLJETQNZQN-UHFFFAOYSA-N 0 1 402.501 2.886 40 0 HFABMN CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(Cc4cnccn4)C3)ccc2c1N ZINC000257217509 568781195 /nfs/dbraw/zinc/78/11/95/568781195.db2.gz CZGQNKGKHLAKHX-OAQYLSRUSA-N 0 1 410.547 2.924 40 0 HFABMN Cn1ccnc1-c1cc(C[C@H]2CCCN(C(=O)c3[nH]nc4ccccc43)C2)ncn1 ZINC000257225209 568783585 /nfs/dbraw/zinc/78/35/85/568783585.db2.gz FFHLJXOJIFAPIZ-OAHLLOKOSA-N 0 1 401.474 2.848 40 0 HFABMN CC(=O)NCC(=O)N1CC[C@@H](c2[nH]ncc2-c2ccnc(NCc3ccccc3)c2)C1 ZINC000257247069 568789582 /nfs/dbraw/zinc/78/95/82/568789582.db2.gz IXGGLHIUZVPADM-LJQANCHMSA-N 0 1 418.501 2.536 40 0 HFABMN Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1 ZINC000257251635 568790680 /nfs/dbraw/zinc/79/06/80/568790680.db2.gz JRNUSEGPHGQJPL-OAHLLOKOSA-N 0 1 405.499 2.798 40 0 HFABMN CCN(CC)C(=O)c1cn[nH]c1C1CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000257300031 568804396 /nfs/dbraw/zinc/80/43/96/568804396.db2.gz RSPUCWIMOCHEIW-QGZVFWFLSA-N 0 1 423.517 2.724 40 0 HFABMN Cc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(Cc4c([nH]c(=O)[nH]c4=O)O3)CC2)n[nH]1 ZINC000257335261 568814836 /nfs/dbraw/zinc/81/48/36/568814836.db2.gz YJJKBBCHEXAKIL-QFIPXVFZSA-N 0 1 421.457 2.586 40 0 HFABMN O=C1N(Cc2ccsc2)CCO[C@]12CN(Cc1ccncc1)C[C@@H]2c1cccnc1 ZINC000306137128 568898873 /nfs/dbraw/zinc/89/88/73/568898873.db2.gz QMBVVHXMTIHJBO-GGAORHGYSA-N 0 1 420.538 2.935 40 0 HFABMN COCCN1C[C@@]2(CCN(Cc3ccc(C)s3)C2)Oc2ccccc2S1(=O)=O ZINC000306144015 568905447 /nfs/dbraw/zinc/90/54/47/568905447.db2.gz YTLNYUDMBXKTHO-FQEVSTJZSA-N 0 1 422.572 2.731 40 0 HFABMN Cc1nc(N2CCOCC2)nc(C)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000224304387 569057062 /nfs/dbraw/zinc/05/70/62/569057062.db2.gz NZIUIQQRKNMMSQ-UHFFFAOYSA-N 0 1 416.425 2.750 40 0 HFABMN Cc1ccc(NC(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1Cl ZINC000224330877 569058589 /nfs/dbraw/zinc/05/85/89/569058589.db2.gz HHYAVBMAFAIENA-UHFFFAOYSA-N 0 1 416.913 2.629 40 0 HFABMN COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CNC(=O)C3CC3)n(C)n2)cc1OC ZINC000008635503 291224240 /nfs/dbraw/zinc/22/42/40/291224240.db2.gz BJOOUMPWCUMRCJ-UHOSZYNNSA-N 0 1 424.545 2.808 40 0 biogenic,in-vitro HFABMN COc1ccc(NC(=O)N2CC[C@H]3CC(=O)N(CCc4cnc[nH]4)CC[C@H]3C2)cc1 ZINC000031153285 291225275 /nfs/dbraw/zinc/22/52/75/291225275.db2.gz NSMVFSLZQQSKFB-IRXDYDNUSA-N 0 1 411.506 2.753 40 0 biogenic,in-vitro HFABMN CCc1ccc(OCC(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1 ZINC000408567774 557465630 /nfs/dbraw/zinc/46/56/30/557465630.db2.gz GLJXJMYRAODNIE-UHFFFAOYSA-N 0 1 411.502 2.805 40 0 HFABMN CCN(CC)CCN(S(=O)(=O)Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000005469535 557655615 /nfs/dbraw/zinc/65/56/15/557655615.db2.gz OPGBHCFAOSJHMJ-UHFFFAOYSA-N 0 1 410.561 2.549 40 0 HFABMN O=C(C[C@H]1CCCO1)N1CCC(c2ccc3c(n[nH]c3NCc3ncc[nH]3)n2)CC1 ZINC000019745170 558265669 /nfs/dbraw/zinc/26/56/69/558265669.db2.gz GGXYMGSMOQJUJH-OAHLLOKOSA-N 0 1 409.494 2.568 40 0 HFABMN Cc1nc2ccc(NC(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2[nH]1 ZINC000019747671 558267213 /nfs/dbraw/zinc/26/72/13/558267213.db2.gz XCENDUZCMAZRLI-CYBMUJFWSA-N 0 1 402.451 2.660 40 0 HFABMN Cc1nc2ccc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCCC4)c3)cc2[nH]1 ZINC000019749232 558268410 /nfs/dbraw/zinc/26/84/10/558268410.db2.gz AWDSZECFMFTVRZ-UHFFFAOYSA-N 0 1 407.474 2.734 40 0 HFABMN O=C(Cn1cc(C(=O)Nc2ccc3nc[nH]c3c2)ccc1=O)N1CCc2ccccc21 ZINC000019750920 558271011 /nfs/dbraw/zinc/27/10/11/558271011.db2.gz DLKASVLWNGIMJU-UHFFFAOYSA-N 0 1 413.437 2.566 40 0 HFABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(N2CCCC2=O)c1 ZINC000020451889 558366085 /nfs/dbraw/zinc/36/60/85/558366085.db2.gz BNURVAZNHHTRSP-UHFFFAOYSA-N 0 1 418.471 2.800 40 0 HFABMN Cc1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 ZINC000020488152 558376924 /nfs/dbraw/zinc/37/69/24/558376924.db2.gz JLIKQCGXLGCFDF-UHFFFAOYSA-N 0 1 418.500 2.528 40 0 HFABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1 ZINC000022532787 558497426 /nfs/dbraw/zinc/49/74/26/558497426.db2.gz LJQSYJLJNZSWAO-UHFFFAOYSA-N 0 1 406.460 2.640 40 0 HFABMN O=C1c2cccc3cccc(c32)C(=O)N1CCCCN1CCN(c2ncccn2)CC1 ZINC000028048370 558690475 /nfs/dbraw/zinc/69/04/75/558690475.db2.gz RBJXXRFWRJZFKE-UHFFFAOYSA-N 0 1 415.497 2.828 40 0 HFABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)Cc1ccccc1C ZINC000030868864 558743131 /nfs/dbraw/zinc/74/31/31/558743131.db2.gz VQEYMHQMHFZONS-UHFFFAOYSA-N 0 1 412.533 2.632 40 0 HFABMN O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014681 558836740 /nfs/dbraw/zinc/83/67/40/558836740.db2.gz ZTFBJYGTEHITAU-HXUWFJFHSA-N 0 1 414.550 2.551 40 0 HFABMN O=C(C1CCCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014681 558836741 /nfs/dbraw/zinc/83/67/41/558836741.db2.gz ZTFBJYGTEHITAU-HXUWFJFHSA-N 0 1 414.550 2.551 40 0 HFABMN O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCOCC1)CC2 ZINC000019014679 558836828 /nfs/dbraw/zinc/83/68/28/558836828.db2.gz ZTFBJYGTEHITAU-FQEVSTJZSA-N 0 1 414.550 2.551 40 0 HFABMN O=C(C1CCCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCOCC1)CC2 ZINC000019014679 558836829 /nfs/dbraw/zinc/83/68/29/558836829.db2.gz ZTFBJYGTEHITAU-FQEVSTJZSA-N 0 1 414.550 2.551 40 0 HFABMN Cc1cc(C)n2ncc(C(=O)C3CCN(C(=O)c4cc(C(F)(F)F)[nH]n4)CC3)c2n1 ZINC000019116512 558841875 /nfs/dbraw/zinc/84/18/75/558841875.db2.gz DHXAMFOERJKIIZ-UHFFFAOYSA-N 0 1 420.395 2.823 40 0 HFABMN O=C(C1CC1)N1CCc2nc([C@@H]3CCCN(Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019349029 558874932 /nfs/dbraw/zinc/87/49/32/558874932.db2.gz ZDEJWVJQSICMKQ-QGZVFWFLSA-N 0 1 410.493 2.583 40 0 HFABMN COc1ccc(C[N@@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1OC(C)C ZINC000019450501 558888916 /nfs/dbraw/zinc/88/89/16/558888916.db2.gz ULONZEKRBDGSOE-UHFFFAOYSA-N 0 1 421.501 2.624 40 0 HFABMN COc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1OC(C)C ZINC000019450501 558888917 /nfs/dbraw/zinc/88/89/17/558888917.db2.gz ULONZEKRBDGSOE-UHFFFAOYSA-N 0 1 421.501 2.624 40 0 HFABMN CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccccc4F)C3)[nH]c(=O)c2C1 ZINC000019501594 558899660 /nfs/dbraw/zinc/89/96/60/558899660.db2.gz XRPJXXJBJXMXDW-QGZVFWFLSA-N 0 1 412.509 2.973 40 0 HFABMN CCOc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)cc1OC ZINC000019533912 558913577 /nfs/dbraw/zinc/91/35/77/558913577.db2.gz MBSUQQORQDDHDP-UHFFFAOYSA-N 0 1 406.486 2.840 40 0 HFABMN CCOc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)cc1OC ZINC000019533912 558913579 /nfs/dbraw/zinc/91/35/79/558913579.db2.gz MBSUQQORQDDHDP-UHFFFAOYSA-N 0 1 406.486 2.840 40 0 HFABMN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019591541 558942244 /nfs/dbraw/zinc/94/22/44/558942244.db2.gz SCYXQTAFJNGWMC-DEOSSOPVSA-N 0 1 418.497 2.906 40 0 HFABMN Cc1cc2nc(C)c(CCC(=O)N3CCC(CCN4CCOCC4)CC3)c(C)n2n1 ZINC000019657200 558949735 /nfs/dbraw/zinc/94/97/35/558949735.db2.gz BZNMYYSXRUTDES-UHFFFAOYSA-N 0 1 413.566 2.548 40 0 HFABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cnc3sc(C)cn3c2=O)cc1 ZINC000019660210 558951408 /nfs/dbraw/zinc/95/14/08/558951408.db2.gz GVWDTAQDUGJYKD-SFHVURJKSA-N 0 1 421.482 2.584 40 0 HFABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2ccc(-n3cccn3)nc2)cc1 ZINC000019663876 558954648 /nfs/dbraw/zinc/95/46/48/558954648.db2.gz SLFMKHJWJXKCQU-OAQYLSRUSA-N 0 1 400.442 2.787 40 0 HFABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cc(-c3cnn(C)c3)no2)cc1 ZINC000019664694 558955255 /nfs/dbraw/zinc/95/52/55/558955255.db2.gz OKJCWIJAOSJVDT-HXUWFJFHSA-N 0 1 404.430 2.595 40 0 HFABMN Cc1nc([C@@H]2CCCN2C(=O)CN(C)C)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072371107 558957685 /nfs/dbraw/zinc/95/76/85/558957685.db2.gz AEMUJKOYSUTNFZ-FQEVSTJZSA-N 0 1 421.545 2.532 40 0 HFABMN O=C(CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000257299059 559009409 /nfs/dbraw/zinc/00/94/09/559009409.db2.gz ROOULFYYWGUYBD-IRFCIJBXSA-N 0 1 412.578 2.940 40 0 HFABMN Cc1ccc(NC(=O)c2c3ccccn3c3ncnc(N4CCN(C)CC4)c32)cn1 ZINC000096264421 559107511 /nfs/dbraw/zinc/10/75/11/559107511.db2.gz JJZYTQHCSHMOPA-UHFFFAOYSA-N 0 1 401.474 2.590 40 0 HFABMN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(Cc1ccc(O)cc1)C2 ZINC000585261349 559108858 /nfs/dbraw/zinc/10/88/58/559108858.db2.gz NHWWXZLWGNJSRT-WXFUMESZSA-N 0 1 407.514 2.692 40 0 HFABMN COc1cc(C[N@H+]2CCc3nc4cc(C)[n-]n4c(=O)c3CC2)ccc1OC(F)F ZINC000100769180 559140085 /nfs/dbraw/zinc/14/00/85/559140085.db2.gz FDBZPNPUNRPADZ-UHFFFAOYSA-N 0 1 404.417 2.954 40 0 HFABMN CN1CCN(c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)CC1 ZINC000113948077 559182666 /nfs/dbraw/zinc/18/26/66/559182666.db2.gz MVDIMWVQSRSRDY-UHFFFAOYSA-N 0 1 422.938 2.716 40 0 HFABMN COc1ccc(CNC(=O)CN2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 ZINC000257231343 559283987 /nfs/dbraw/zinc/28/39/87/559283987.db2.gz GGGRQRPVOJLKPE-QHCPKHFHSA-N 0 1 416.493 2.747 40 0 HFABMN CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408917307 560653466 /nfs/dbraw/zinc/65/34/66/560653466.db2.gz QUPCCGSOURJXQU-OQLLNIDSSA-N 0 1 415.833 2.937 40 0 HFABMN CCN1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(OC)c(OC)c2)CC1 ZINC000019527983 560874690 /nfs/dbraw/zinc/87/46/90/560874690.db2.gz RJIKWRFCBFVRMO-OAQYLSRUSA-N 0 1 414.554 2.922 40 0 HFABMN Cc1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)ccc1OCC(=O)N(C)C ZINC000223249810 568542578 /nfs/dbraw/zinc/54/25/78/568542578.db2.gz YWBRCDRCOOGOOD-UHFFFAOYSA-N 0 1 409.533 2.598 40 0 HFABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCOC2CCCCC2)s1 ZINC000223380734 568547061 /nfs/dbraw/zinc/54/70/61/568547061.db2.gz GCHBILWPYCHAPH-UHFFFAOYSA-N 0 1 404.558 2.540 40 0 HFABMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000223671358 568555694 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2.652 40 0 HFABMN COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)c4ccn[nH]4)CCN(C)C3=O)cc2)cc1 ZINC000019589386 558940174 /nfs/dbraw/zinc/94/01/74/558940174.db2.gz DHUOVSNRPPERFB-HXUWFJFHSA-N 0 1 418.497 2.858 40 0 HFABMN COCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019592837 558943849 /nfs/dbraw/zinc/94/38/49/558943849.db2.gz DZVFWHGFBYVIFC-IBGZPJMESA-N 0 1 402.539 2.821 40 0 HFABMN COCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019592837 558943851 /nfs/dbraw/zinc/94/38/51/558943851.db2.gz DZVFWHGFBYVIFC-IBGZPJMESA-N 0 1 402.539 2.821 40 0 HFABMN COc1ccc2c(c1)C=C(CN1CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C1)CO2 ZINC000072347483 558944443 /nfs/dbraw/zinc/94/44/43/558944443.db2.gz FUUHYYVGNZRROZ-INIZCTEOSA-N 0 1 422.529 2.849 40 0 HFABMN CN(C)C(=O)CN1CC[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)n[nH]2)C1 ZINC000072371358 558958213 /nfs/dbraw/zinc/95/82/13/558958213.db2.gz TYLLMJXLPURBEJ-CQSZACIVSA-N 0 1 410.440 2.928 40 0 HFABMN 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HFABMN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000017088596 560863593 /nfs/dbraw/zinc/86/35/93/560863593.db2.gz SNPIRQABWUBFAG-LFYBBSHMSA-N 0 1 410.543 2.973 40 0 HFABMN COc1cc2c(cc1S(=O)(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)CCCC2 ZINC000222673531 568523157 /nfs/dbraw/zinc/52/31/57/568523157.db2.gz ZTJCKQHXRDCNPV-UHFFFAOYSA-N 0 1 424.544 2.771 40 0 HFABMN Cc1ccc(SCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1 ZINC000222841858 568528088 /nfs/dbraw/zinc/52/80/88/568528088.db2.gz ITTMANDVKNDHSO-UHFFFAOYSA-N 0 1 400.551 2.512 40 0 HFABMN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)c(Cl)cc21 ZINC000223364777 568546516 /nfs/dbraw/zinc/54/65/16/568546516.db2.gz VMTIQODGTJYRPJ-UHFFFAOYSA-N 0 1 410.835 2.840 40 0 HFABMN O=C(Nc1nnc(S(=O)(=O)NCCc2ccc(Cl)cc2)s1)c1ccccc1 ZINC000225096901 568614268 /nfs/dbraw/zinc/61/42/68/568614268.db2.gz GGUVMNZZWOTRKD-UHFFFAOYSA-N 0 1 422.919 2.965 40 0 HFABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2Cl)s1 ZINC000225437383 568637840 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