smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1c(CC=C)cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC ZINC000034771749 557017491 /nfs/dbraw/zinc/01/74/91/557017491.db2.gz PFDYENHEPXPAOZ-LDADJPATSA-N 0 1 420.421 3.531 40 0 HHABMN O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccccc1F ZINC000408544735 557362630 /nfs/dbraw/zinc/36/26/30/557362630.db2.gz XHILLCFROJYOSQ-UHFFFAOYSA-N 0 1 423.267 3.810 40 0 HHABMN COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408592974 557506796 /nfs/dbraw/zinc/50/67/96/557506796.db2.gz LGRHNPLTFBHERQ-UHFFFAOYSA-N 0 1 413.451 3.832 40 0 HHABMN O=C([O-])CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000408612363 557530397 /nfs/dbraw/zinc/53/03/97/557530397.db2.gz VOVMPQKBJSVGGS-LJQANCHMSA-N 0 1 404.869 3.843 40 0 HHABMN COc1cccc(OC)c1C(=O)N1CCC[C@@H](c2ccc3c(n[nH]c3NC(C)C)n2)C1 ZINC000019742924 558263290 /nfs/dbraw/zinc/26/32/90/558263290.db2.gz SRGGPXICBOHLPU-OAHLLOKOSA-N 0 1 423.517 3.815 40 0 HHABMN O=C([C@H]1CCCO1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3F)n2)CC1 ZINC000019745149 558265801 /nfs/dbraw/zinc/26/58/01/558265801.db2.gz MGKFPWHEKHBXHU-HXUWFJFHSA-N 0 1 423.492 3.594 40 0 HHABMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000019927841 558308346 /nfs/dbraw/zinc/30/83/46/558308346.db2.gz WGEWZQBFQFCLRJ-SUHUHFCYSA-N 0 1 407.337 3.631 40 0 HHABMN COc1cc(OC)cc(-c2n[nH]c(SCc3nnc(-c4ccc(F)cc4)o3)n2)c1 ZINC000019928971 558309102 /nfs/dbraw/zinc/30/91/02/558309102.db2.gz VBMISSJROYMSRX-UHFFFAOYSA-N 0 1 413.434 3.970 40 0 HHABMN CC(C)S(=O)(=O)N1CCC(c2nc3ccc(F)cn3c2NC2CCCC2)CC1 ZINC000012127948 558331550 /nfs/dbraw/zinc/33/15/50/558331550.db2.gz CMVICKNPVKXUMP-UHFFFAOYSA-N 0 1 408.543 3.746 40 0 HHABMN COc1ccccc1C1(NCc2ccccc2OCCN2CCOCC2)CCCC1 ZINC000012292904 558365903 /nfs/dbraw/zinc/36/59/03/558365903.db2.gz BROBDYUBDUYDLW-UHFFFAOYSA-N 0 1 410.558 3.965 40 0 HHABMN COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020491674 558378261 /nfs/dbraw/zinc/37/82/61/558378261.db2.gz QUUZDKMLIOFBLL-MDWZMJQESA-N 0 1 409.467 3.543 40 0 HHABMN COc1ccc2cc(CN3CCC(O)(c4ccccc4OC)CC3)c(OC)nc2c1 ZINC000012330643 558385438 /nfs/dbraw/zinc/38/54/38/558385438.db2.gz FTHQHRQSFZTZGY-UHFFFAOYSA-N 0 1 408.498 3.744 40 0 HHABMN CCOc1ccc(CN2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)cc1OC ZINC000012407956 558398907 /nfs/dbraw/zinc/39/89/07/558398907.db2.gz JUUDHWKBHZUKSB-UHFFFAOYSA-N 0 1 410.474 3.624 40 0 HHABMN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000022524292 558495518 /nfs/dbraw/zinc/49/55/18/558495518.db2.gz QKUJVTJGMGFFPI-AWNIVKPZSA-N 0 1 409.467 3.543 40 0 HHABMN O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014786 558836805 /nfs/dbraw/zinc/83/68/05/558836805.db2.gz SDZPFXKSEVZQKX-NRFANRHFSA-N 0 1 412.578 3.562 40 0 HHABMN O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014786 558836807 /nfs/dbraw/zinc/83/68/07/558836807.db2.gz SDZPFXKSEVZQKX-NRFANRHFSA-N 0 1 412.578 3.562 40 0 HHABMN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)CN3CCCC[C@H]3C)cc2)on1 ZINC000019123871 558844222 /nfs/dbraw/zinc/84/42/22/558844222.db2.gz SYYSUKNHAGFQOR-QGZVFWFLSA-N 0 1 419.529 3.906 40 0 HHABMN COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc4cc(C)[n-]n4c(=O)c2C3)cc1OC(C)C ZINC000019130142 558845366 /nfs/dbraw/zinc/84/53/66/558845366.db2.gz DKLYDRPNHJYBIL-MSOLQXFVSA-N 0 1 422.529 3.671 40 0 HHABMN Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000019236849 558856024 /nfs/dbraw/zinc/85/60/24/558856024.db2.gz AHTVFMABRZJUCG-OFNKIYASSA-N 0 1 403.530 3.507 40 0 HHABMN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019449352 558887788 /nfs/dbraw/zinc/88/77/88/558887788.db2.gz FCVVVVFLYGHBBU-HSZRJFAPSA-N 0 1 422.554 3.738 40 0 HHABMN CC(C)c1cc(C(=O)N2CC[C@@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)n[nH]1 ZINC000019451723 558889701 /nfs/dbraw/zinc/88/97/01/558889701.db2.gz VSTFXPSEMAFYDE-QHCPKHFHSA-N 0 1 422.554 3.822 40 0 HHABMN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000019553970 558916981 /nfs/dbraw/zinc/91/69/81/558916981.db2.gz JAKOLGSQPJGUKP-RPWUZVMVSA-N 0 1 416.525 3.730 40 0 HHABMN Cc1nc2ccccn2c1CN1CCC[C@H](c2cc(C(=O)N3CCC(C)CC3)on2)C1 ZINC000019554943 558917960 /nfs/dbraw/zinc/91/79/60/558917960.db2.gz GTAWQKXIXHSXNX-IBGZPJMESA-N 0 1 421.545 3.882 40 0 HHABMN CCCc1cc(C(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)n[nH]1 ZINC000072340850 558939349 /nfs/dbraw/zinc/93/93/49/558939349.db2.gz LPWNWVLVYUOAPE-UHFFFAOYSA-N 0 1 420.439 3.752 40 0 HHABMN COCCN1C[C@@H](c2ccccc2)OC2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000019593390 558944382 /nfs/dbraw/zinc/94/43/82/558944382.db2.gz UGTHWAVUURTEBN-QFIPXVFZSA-N 0 1 412.505 3.520 40 0 HHABMN COCCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 ZINC000019593714 558944783 /nfs/dbraw/zinc/94/47/83/558944783.db2.gz CUSHBVMKFQNDLK-JOCHJYFZSA-N 0 1 420.513 3.584 40 0 HHABMN Cc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)N(C)C)cc1N1CCOCC1 ZINC000019664082 558954642 /nfs/dbraw/zinc/95/46/42/558954642.db2.gz XQZLCKAEKQOQGW-NRFANRHFSA-N 0 1 401.938 3.518 40 0 HHABMN Cc1nn(C)cc1-c1cc(C(=O)N(Cc2ccccc2)[C@H]2CCOC(C)(C)C2)n[nH]1 ZINC000019665412 558955603 /nfs/dbraw/zinc/95/56/03/558955603.db2.gz OLPBETTZFASGMD-SFHVURJKSA-N 0 1 407.518 3.719 40 0 HHABMN Cc1nn(C)cc1-c1cc(C(=O)N(Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)n[nH]1 ZINC000019665409 558955684 /nfs/dbraw/zinc/95/56/84/558955684.db2.gz OLPBETTZFASGMD-GOSISDBHSA-N 0 1 407.518 3.719 40 0 HHABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](c4ccc(-c5ccc(N)nc5)cn4)C3)c2c1 ZINC000019689235 558958570 /nfs/dbraw/zinc/95/85/70/558958570.db2.gz LUTRYOVVQQELNZ-GOSISDBHSA-N 0 1 412.497 3.930 40 0 HHABMN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2Cc2cnn(C)c2C)cc1 ZINC000019694319 558962643 /nfs/dbraw/zinc/96/26/43/558962643.db2.gz YCUIMFJHONWQLZ-QFIPXVFZSA-N 0 1 420.561 3.987 40 0 HHABMN COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)Cc4ccccc4)C3)n[nH]2)c1 ZINC000072380104 558968099 /nfs/dbraw/zinc/96/80/99/558968099.db2.gz JGJMXYSKRJTTIF-LJQANCHMSA-N 0 1 405.498 3.598 40 0 HHABMN CCN1CCN(C(=O)c2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183624 559070398 /nfs/dbraw/zinc/07/03/98/559070398.db2.gz PSYQGNQHQRVTSY-OAQYLSRUSA-N 0 1 416.525 3.548 40 0 HHABMN O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053107 559092980 /nfs/dbraw/zinc/09/29/80/559092980.db2.gz VSNXCFMJZCBKMX-OAQYLSRUSA-N 0 1 405.542 3.899 40 0 HHABMN COc1ccc(OCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000096625897 559111680 /nfs/dbraw/zinc/11/16/80/559111680.db2.gz HDKXTDBYESWORZ-UHFFFAOYSA-N 0 1 402.922 3.756 40 0 HHABMN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)c2)n1 ZINC000585290296 559122839 /nfs/dbraw/zinc/12/28/39/559122839.db2.gz ABOCREYKFSRRNG-IPLHWJFFSA-N 0 1 417.517 3.683 40 0 HHABMN COc1ccc(C(=O)N(c2ccccc2)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100269662 559190892 /nfs/dbraw/zinc/19/08/92/559190892.db2.gz UQQCBESKRYVHEU-NRFANRHFSA-N 0 1 400.434 3.674 40 0 HHABMN COc1ccc(C(=O)N(c2ccccc2)C2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000100269662 559190893 /nfs/dbraw/zinc/19/08/93/559190893.db2.gz UQQCBESKRYVHEU-NRFANRHFSA-N 0 1 400.434 3.674 40 0 HHABMN Cc1cccc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000000791057 559279519 /nfs/dbraw/zinc/27/95/19/559279519.db2.gz WSBGGDBODILZGH-UHFFFAOYSA-N 0 1 411.483 3.517 40 0 HHABMN Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)cc(Cl)c3O)C2=O)cc1 ZINC000409021746 560666940 /nfs/dbraw/zinc/66/69/40/560666940.db2.gz WQQAOFHYBYROFE-VIZOYTHASA-N 0 1 420.252 3.539 40 0 HHABMN COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1Cl ZINC000409240938 560700038 /nfs/dbraw/zinc/70/00/38/560700038.db2.gz VPERXEJUWVSVIY-UHFFFAOYSA-N 0 1 423.796 3.711 40 0 HHABMN O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000216324476 568464380 /nfs/dbraw/zinc/46/43/80/568464380.db2.gz TUFWHUMFHZOBLP-UHFFFAOYSA-N 0 1 401.875 3.717 40 0 HHABMN O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000216409499 568464991 /nfs/dbraw/zinc/46/49/91/568464991.db2.gz HBXSPYTWOGOPCQ-UHFFFAOYSA-N 0 1 411.483 3.680 40 0 HHABMN CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000222713165 568524518 /nfs/dbraw/zinc/52/45/18/568524518.db2.gz FVDASVPRDHLLGG-MRVPVSSYSA-N 0 1 423.347 3.564 40 0 HHABMN Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000223321408 568545268 /nfs/dbraw/zinc/54/52/68/568545268.db2.gz BYAZEKKMICRHOD-UHFFFAOYSA-N 0 1 406.769 3.903 40 0 HHABMN CCSc1nnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)s1 ZINC000224267431 568575880 /nfs/dbraw/zinc/57/58/80/568575880.db2.gz RYTOSEYFRFHCKS-UHFFFAOYSA-N 0 1 420.541 3.703 40 0 HHABMN COc1cccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000224536794 568583971 /nfs/dbraw/zinc/58/39/71/568583971.db2.gz ZZOXJLNVINFUOO-UHFFFAOYSA-N 0 1 402.922 3.756 40 0 HHABMN CC(C)Oc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000224734333 568594174 /nfs/dbraw/zinc/59/41/74/568594174.db2.gz TWOTWQAWOIGOGV-UHFFFAOYSA-N 0 1 400.500 3.574 40 0 HHABMN CCOc1ccc([C@@H](N)c2nnc(-c3ccc(OC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534629 568635581 /nfs/dbraw/zinc/63/55/81/568635581.db2.gz QOBCPRLQXNYSAW-HXUWFJFHSA-N 0 1 412.490 3.725 40 0 HHABMN CCOc1ccc([C@H](N)c2nnc(-c3ccc(OCC)c(OCC)c3)[nH]2)cc1OC ZINC000095534345 568635843 /nfs/dbraw/zinc/63/58/43/568635843.db2.gz JOJHKVADOTYWJW-FQEVSTJZSA-N 0 1 412.490 3.725 40 0 HHABMN CCc1n[nH]c(C(=O)NCc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)c1C ZINC000257221602 568782417 /nfs/dbraw/zinc/78/24/17/568782417.db2.gz DPURDULOAAUNMQ-UHFFFAOYSA-N 0 1 400.486 3.673 40 0 HHABMN COc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000257276256 568797447 /nfs/dbraw/zinc/79/74/47/568797447.db2.gz NSZUMLTYOQZSJF-IRXDYDNUSA-N 0 1 424.545 3.841 40 0 HHABMN COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(Cc4cn(C)cn4)CC3)CO[C@H]21 ZINC000257280273 568798560 /nfs/dbraw/zinc/79/85/60/568798560.db2.gz OKGANVWRZMIMLB-RBBKRZOGSA-N 0 1 411.546 3.960 40 0 HHABMN O=C(C[C@@]1(COc2ccc(Cl)cc2)CN(CC2CC2)CCO1)N1CCCCC1 ZINC000257329955 568812977 /nfs/dbraw/zinc/81/29/77/568812977.db2.gz XMELQYUFJXBFJU-QFIPXVFZSA-N 0 1 406.954 3.602 40 0 HHABMN O=C(c1ccccc1)N1CCO[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257337065 568815220 /nfs/dbraw/zinc/81/52/20/568815220.db2.gz YRFXKCNOQIPINB-NRFANRHFSA-N 0 1 411.889 3.898 40 0 HHABMN Cc1ncsc1CN1CCC2(CC1)c1ccccc1N(CC1CC1)S2(=O)=O ZINC000306127372 568890196 /nfs/dbraw/zinc/89/01/96/568890196.db2.gz FWYLERSNECDHDF-UHFFFAOYSA-N 0 1 403.573 3.503 40 0 HHABMN COc1ccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccc(OC)cc2)cc1 ZINC000306135212 568897275 /nfs/dbraw/zinc/89/72/75/568897275.db2.gz OLCAVNMLPFVOLQ-BJKOFHAPSA-N 0 1 417.509 3.587 40 0 HHABMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1 ZINC000007051748 568968824 /nfs/dbraw/zinc/96/88/24/568968824.db2.gz AUKCIKXOILOMJN-UHFFFAOYSA-N 0 1 411.321 3.859 40 0 HHABMN COc1cc2c(cc1OC)CN(C[C@@H](O)CO[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)CC2 ZINC000035052921 569027813 /nfs/dbraw/zinc/02/78/13/569027813.db2.gz DHFDBTZMHIWGFB-FSNSLZAISA-N 0 1 403.563 3.654 40 0 HHABMN COc1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000027531071 569047411 /nfs/dbraw/zinc/04/74/11/569047411.db2.gz WZAIYJULKDBJGU-NRFANRHFSA-N 0 1 412.574 3.550 40 0 HHABMN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000006963829 569336399 /nfs/dbraw/zinc/33/63/99/569336399.db2.gz CXWIHIWNTAQQPD-KAMYIIQDSA-N 0 1 416.886 3.579 40 0 HHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000008477201 569341542 /nfs/dbraw/zinc/34/15/42/569341542.db2.gz JYIHYWOUXMVXTM-DEDYPNTBSA-N 0 1 408.429 3.809 40 0 HHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000008477213 569341585 /nfs/dbraw/zinc/34/15/85/569341585.db2.gz LUDTWAKFFPQZMZ-CPNJWEJPSA-N 0 1 408.429 3.809 40 0 HHABMN CC(C)OC(=O)c1ccccc1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000010475607 569344471 /nfs/dbraw/zinc/34/44/71/569344471.db2.gz NFDKHARTAIPSLQ-UHFFFAOYSA-N 0 1 410.499 3.692 40 0 HHABMN CCOc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Cl)cc1OC ZINC000033670263 569350937 /nfs/dbraw/zinc/35/09/37/569350937.db2.gz LIHKXMPPDDZUAH-NTUHNPAUSA-N 0 1 404.806 3.843 40 0 HHABMN CN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000033705596 569351075 /nfs/dbraw/zinc/35/10/75/569351075.db2.gz PLTPATAZJSENGG-VQHVLOKHSA-N 0 1 400.866 3.652 40 0 HHABMN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccc(F)cc3)n2)cc1 ZINC000015675966 291254305 /nfs/dbraw/zinc/25/43/05/291254305.db2.gz VHINKBRCUVWVNO-IBGZPJMESA-N 0 1 419.416 3.547 40 0 biogenic,in-vitro HHABMN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)C1CCN(c3nc(Cl)nc4[nH]cnc43)CC1)C2 ZINC000008992841 132334643 /nfs/dbraw/zinc/33/46/43/132334643.db2.gz KEXGBOHKOIGBDP-SPLOXXLWSA-N 0 1 416.957 3.650 40 0 HHABMN COc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000001326956 557255511 /nfs/dbraw/zinc/25/55/11/557255511.db2.gz PDSFRCKSSOFHSW-UHFFFAOYSA-N 0 1 405.907 3.793 40 0 HHABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)[nH]c(C)c2C(C)=O)cc1 ZINC000001610053 557275813 /nfs/dbraw/zinc/27/58/13/557275813.db2.gz AXAONVUDZAXPRT-UHFFFAOYSA-N 0 1 411.483 3.952 40 0 HHABMN CCc1cccc([C@H](C)CC)c1NC(=O)C[C@@H]1C(=O)Nc2ccccc2S1(=O)=O ZINC000001622808 557276953 /nfs/dbraw/zinc/27/69/53/557276953.db2.gz RTYTZKFPQZDHRQ-AUUYWEPGSA-N 0 1 414.527 3.886 40 0 HHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c(OC)c1 ZINC000408595855 557513755 /nfs/dbraw/zinc/51/37/55/557513755.db2.gz VKWPXDSLJCHMGO-UHFFFAOYSA-N 0 1 419.503 3.522 40 0 HHABMN COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000408615749 557542092 /nfs/dbraw/zinc/54/20/92/557542092.db2.gz CSQCFCXQAUGSAQ-AWEZNQCLSA-N 0 1 410.923 3.522 40 0 HHABMN CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1C ZINC000408620924 557545761 /nfs/dbraw/zinc/54/57/61/557545761.db2.gz KKKKRWSYRBJHKY-UHFFFAOYSA-N 0 1 400.422 3.954 40 0 HHABMN COc1cccc(OC)c1C(=O)N1CCC[C@H](c2ccc3c(n[nH]c3NC(C)C)n2)C1 ZINC000019742926 558263366 /nfs/dbraw/zinc/26/33/66/558263366.db2.gz SRGGPXICBOHLPU-HNNXBMFYSA-N 0 1 423.517 3.815 40 0 HHABMN O=C([C@@H]1CCCO1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3F)n2)CC1 ZINC000019745147 558265664 /nfs/dbraw/zinc/26/56/64/558265664.db2.gz MGKFPWHEKHBXHU-FQEVSTJZSA-N 0 1 423.492 3.594 40 0 HHABMN Cc1nc([C@H]2CCCCN2C(=O)c2ccn[nH]2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753747 558273096 /nfs/dbraw/zinc/27/30/96/558273096.db2.gz ZFOLKBUWLNXDPT-GOSISDBHSA-N 0 1 424.892 3.781 40 0 HHABMN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020107616 558334171 /nfs/dbraw/zinc/33/41/71/558334171.db2.gz SPVIZCGNTBNRSM-INIZCTEOSA-N 0 1 411.483 3.597 40 0 HHABMN COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000035586277 558793891 /nfs/dbraw/zinc/79/38/91/558793891.db2.gz NCPYNQDHIIBZIX-GECPAALWSA-N 0 1 404.595 3.656 40 0 HHABMN Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000019236850 558856065 /nfs/dbraw/zinc/85/60/65/558856065.db2.gz AHTVFMABRZJUCG-NFBKMPQASA-N 0 1 403.530 3.507 40 0 HHABMN O=C(N[C@@H](c1ccccn1)C1CCN(Cc2cccnc2)CC1)c1cccc(F)c1 ZINC000019400881 558883296 /nfs/dbraw/zinc/88/32/96/558883296.db2.gz KDXXSFRLZDHSPN-HSZRJFAPSA-N 0 1 404.489 3.999 40 0 HHABMN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019449360 558887976 /nfs/dbraw/zinc/88/79/76/558887976.db2.gz OBJRMBHAFGEXSM-RUZDIDTESA-N 0 1 416.525 3.676 40 0 HHABMN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCCC4)[n-]c(=O)c3C2)CC1 ZINC000019495979 558894840 /nfs/dbraw/zinc/89/48/40/558894840.db2.gz LAELFFWKGYWQAK-IAYYMHMVSA-N 0 1 412.578 3.973 40 0 HHABMN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCCC4)[n-]c(=O)c3C2)CC1 ZINC000019495979 558894843 /nfs/dbraw/zinc/89/48/43/558894843.db2.gz LAELFFWKGYWQAK-IAYYMHMVSA-N 0 1 412.578 3.973 40 0 HHABMN COc1cccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3[C@H](C)CCC[C@H]3C)CC2)c1 ZINC000019496079 558894967 /nfs/dbraw/zinc/89/49/67/558894967.db2.gz BVNONJSRDJCTPJ-IAGOWNOFSA-N 0 1 424.545 3.841 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000072330603 558935019 /nfs/dbraw/zinc/93/50/19/558935019.db2.gz DWHQBTCVRJYDIW-HSQYWUDLSA-N 0 1 415.484 3.608 40 0 HHABMN COC(=O)[C@@]1(Cc2ccc(F)cc2)C(=O)C[C@@H]2CC[C@H]1N2Cc1cccc(OC)c1 ZINC000072340202 558939097 /nfs/dbraw/zinc/93/90/97/558939097.db2.gz QAMFXTJNMONMBY-XZDHIHRUSA-N 0 1 411.473 3.542 40 0 HHABMN COCCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019593716 558944846 /nfs/dbraw/zinc/94/48/46/558944846.db2.gz SUGUWEZSWKJAPL-JOCHJYFZSA-N 0 1 420.513 3.584 40 0 HHABMN CN(C)C(=O)CN1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349538 558946394 /nfs/dbraw/zinc/94/63/94/558946394.db2.gz AIGPKPPMYRDKBQ-QGZVFWFLSA-N 0 1 405.464 3.959 40 0 HHABMN Cc1ncsc1C(=O)N1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371521 558958392 /nfs/dbraw/zinc/95/83/92/558958392.db2.gz QGFXINHKKCIBFE-AWEZNQCLSA-N 0 1 400.479 3.565 40 0 HHABMN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2cnn(C)c2C)c1 ZINC000019689389 558958841 /nfs/dbraw/zinc/95/88/41/558958841.db2.gz YEKJPXODTJBOAL-OAQYLSRUSA-N 0 1 406.534 3.597 40 0 HHABMN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2Cc2ccc(F)cc2)n1 ZINC000019690423 558959893 /nfs/dbraw/zinc/95/98/93/558959893.db2.gz XGGFPANHQXMCFT-OAQYLSRUSA-N 0 1 419.504 3.785 40 0 HHABMN Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 ZINC000072374952 558963323 /nfs/dbraw/zinc/96/33/23/558963323.db2.gz OIGNKSRLKIVXRE-SFHVURJKSA-N 0 1 404.518 3.899 40 0 HHABMN CCn1cc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)cn1 ZINC000019695231 558963930 /nfs/dbraw/zinc/96/39/30/558963930.db2.gz SCUMFHQPWIYTKP-UHFFFAOYSA-N 0 1 420.561 3.814 40 0 HHABMN CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C2CCCCC2)n1 ZINC000019697387 558964973 /nfs/dbraw/zinc/96/49/73/558964973.db2.gz QCRCJXOBEOOFBV-INIZCTEOSA-N 0 1 411.525 3.942 40 0 HHABMN COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4cn(C)nc4C)CC3)C2=O)c1 ZINC000019698506 558966214 /nfs/dbraw/zinc/96/62/14/558966214.db2.gz MKMMPPKOQICWAV-DEOSSOPVSA-N 0 1 422.573 3.554 40 0 HHABMN CCCN(CC)C(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc32)s1 ZINC000096154597 559098958 /nfs/dbraw/zinc/09/89/58/559098958.db2.gz UQKPJFASEXSTGV-UHFFFAOYSA-N 0 1 413.547 3.575 40 0 HHABMN Cc1ccc(NC(=O)CN2[C@H](Cc3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cc1F ZINC000585262208 559110522 /nfs/dbraw/zinc/11/05/22/559110522.db2.gz XPZBEFXINPZTNO-KJWPAHLWSA-N 0 1 423.532 3.817 40 0 HHABMN N[C@@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000100708844 559138202 /nfs/dbraw/zinc/13/82/02/559138202.db2.gz ANMSEIJIPACNNM-KGVIQGDOSA-N 0 1 416.529 3.705 40 0 HHABMN CCOC(=O)c1ccc(N2C(=O)C[C@H](Nc3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 ZINC000102407520 559150247 /nfs/dbraw/zinc/15/02/47/559150247.db2.gz WTPYPQGTVZUDJC-HNNXBMFYSA-N 0 1 423.252 3.620 40 0 HHABMN COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCc3cnc[nH]3)CCCO2)c1 ZINC000072345657 559181872 /nfs/dbraw/zinc/18/18/72/559181872.db2.gz DDWDLFJINIQGMX-DEOSSOPVSA-N 0 1 405.498 3.536 40 0 HHABMN Cc1ccc(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)c(Br)c1 ZINC000005489061 560626676 /nfs/dbraw/zinc/62/66/76/560626676.db2.gz JGPXPZOBPCMJIL-UHFFFAOYSA-N 0 1 404.293 3.668 40 0 HHABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)c1 ZINC000409408352 560722643 /nfs/dbraw/zinc/72/26/43/560722643.db2.gz CANRHCXOWZXHMS-INIZCTEOSA-N 0 1 422.934 3.666 40 0 HHABMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102724550 560731601 /nfs/dbraw/zinc/73/16/01/560731601.db2.gz KERNKEUSBXMSQX-BHIFYINESA-N 0 1 400.434 3.746 40 0 HHABMN COc1cccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000102706420 560732030 /nfs/dbraw/zinc/73/20/30/560732030.db2.gz XIRGTAFIESYEAK-BHIFYINESA-N 0 1 418.424 3.885 40 0 HHABMN COc1cc(C)c(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1C(C)C ZINC000223316542 568544934 /nfs/dbraw/zinc/54/49/34/568544934.db2.gz ZAELLUBNDTWPBD-UHFFFAOYSA-N 0 1 416.587 3.854 40 0 HHABMN COC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1Cl ZINC000223833523 568560295 /nfs/dbraw/zinc/56/02/95/568560295.db2.gz DRFIZFUAARJAHX-UHFFFAOYSA-N 0 1 420.270 3.598 40 0 HHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000224538905 568584142 /nfs/dbraw/zinc/58/41/42/568584142.db2.gz PKBDJCNDFTXAET-UHFFFAOYSA-N 0 1 418.496 3.818 40 0 HHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c(OC)c1 ZINC000224539600 568584155 /nfs/dbraw/zinc/58/41/55/568584155.db2.gz DPLSIGIAWGMMLN-UHFFFAOYSA-N 0 1 418.496 3.818 40 0 HHABMN CCCC[C@@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000225120741 568615481 /nfs/dbraw/zinc/61/54/81/568615481.db2.gz TXIFMLHCYFLCFP-CQSZACIVSA-N 0 1 410.565 3.594 40 0 HHABMN CCOc1ccc(-c2nnc([C@H](N)c3ccc(OC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534488 568635696 /nfs/dbraw/zinc/63/56/96/568635696.db2.gz QCLUDPVOOYEONQ-HXUWFJFHSA-N 0 1 412.490 3.725 40 0 HHABMN CN(C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)CCc2ccncc2)C1)C1CCCCC1 ZINC000257262563 568793433 /nfs/dbraw/zinc/79/34/33/568793433.db2.gz LLXRRSALZOAZKR-IBGZPJMESA-N 0 1 423.561 3.548 40 0 HHABMN COc1c(C)cccc1C(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCCCCC2)C1 ZINC000257286719 568800459 /nfs/dbraw/zinc/80/04/59/568800459.db2.gz PMTACAVGGKGMEN-GOSISDBHSA-N 0 1 424.545 3.763 40 0 HHABMN COc1ccc(CN2CC[C@@](O)(CC(C)C)[C@@H](Oc3cccc(F)c3)C2)cc1O ZINC000257306646 568806582 /nfs/dbraw/zinc/80/65/82/568806582.db2.gz SVEVAAVKLSPZFZ-XZOQPEGZSA-N 0 1 403.494 3.970 40 0 HHABMN Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(CC(=O)N3CCCCC3)CC2)[nH+]1 ZINC000257312183 568807890 /nfs/dbraw/zinc/80/78/90/568807890.db2.gz UMTZCIVKBURETJ-UHFFFAOYSA-N 0 1 411.525 3.860 40 0 HHABMN CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000257327873 568812375 /nfs/dbraw/zinc/81/23/75/568812375.db2.gz XDCUUPGKRZCAKO-IBGZPJMESA-N 0 1 411.481 3.880 40 0 HHABMN CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000328961492 568969782 /nfs/dbraw/zinc/96/97/82/568969782.db2.gz BDGUDRBVARXZPQ-ZDUSSCGKSA-N 0 1 410.440 3.854 40 0 HHABMN CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000328961489 568969828 /nfs/dbraw/zinc/96/98/28/568969828.db2.gz BDGUDRBVARXZPQ-CYBMUJFWSA-N 0 1 410.440 3.854 40 0 HHABMN CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000328974766 568970672 /nfs/dbraw/zinc/97/06/72/568970672.db2.gz FGMCYTPVXHZOAP-HXUWFJFHSA-N 0 1 412.578 3.819 40 0 HHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000008477422 569341538 /nfs/dbraw/zinc/34/15/38/569341538.db2.gz RZCXPYQWRYACML-DEDYPNTBSA-N 0 1 408.429 3.809 40 0 HHABMN COc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000009062711 569342267 /nfs/dbraw/zinc/34/22/67/569342267.db2.gz NAWHRBSCGJLVKC-QGZVFWFLSA-N 0 1 400.494 3.630 40 0 HHABMN O=C(c1ccccn1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019705034 569347854 /nfs/dbraw/zinc/34/78/54/569347854.db2.gz SAAWXLJZGKOLDN-MRXNPFEDSA-N 0 1 416.460 3.734 40 0 HHABMN Cc1ccccc1CN1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 ZINC000019700899 569428731 /nfs/dbraw/zinc/42/87/31/569428731.db2.gz VEHRKLJMDDBCPO-AREMUKBSSA-N 0 1 415.537 3.520 40 0 HHABMN COc1ccc(CN2Cc3[nH]cnc3C[C@H]2C(=O)NC2CCCCC2)c2ccccc12 ZINC000015676272 291255008 /nfs/dbraw/zinc/25/50/08/291255008.db2.gz WQBSDBGMTYWLKC-QHCPKHFHSA-N 0 1 418.541 3.947 40 0 biogenic,in-vitro HHABMN COc1ccc2nc(CO[C@H]3CN(Cc4ccnc5ccccc45)C[C@H]3F)[nH]c2c1 ZINC000096112276 291255597 /nfs/dbraw/zinc/25/55/97/291255597.db2.gz YRGKWWLJFUJXTC-GCJKJVERSA-N 0 1 406.461 3.859 40 0 biogenic,in-vitro HHABMN Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccco3)nc(C)n2)cc1 ZINC000015672580 291257042 /nfs/dbraw/zinc/25/70/42/291257042.db2.gz BZUNSGPLDZVXFM-HBMCJLEFSA-N 0 1 416.525 3.961 40 0 biogenic,in-vitro HHABMN Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nc(C)n2)cc1 ZINC000015672580 291257044 /nfs/dbraw/zinc/25/70/44/291257044.db2.gz BZUNSGPLDZVXFM-HBMCJLEFSA-N 0 1 416.525 3.961 40 0 biogenic,in-vitro HHABMN CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116491 519640868 /nfs/dbraw/zinc/64/08/68/519640868.db2.gz OPVDYFYJQMISCR-UHFFFAOYSA-N 0 1 406.261 3.796 40 0 HHABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000034882185 557075288 /nfs/dbraw/zinc/07/52/88/557075288.db2.gz RNWPVPDQNBALAL-UHFFFAOYSA-N 0 1 423.369 3.872 40 0 HHABMN CCc1cccc([C@@H](C)CC)c1NC(=O)C[C@H]1C(=O)Nc2ccccc2S1(=O)=O ZINC000001622805 557276932 /nfs/dbraw/zinc/27/69/32/557276932.db2.gz RTYTZKFPQZDHRQ-LIRRHRJNSA-N 0 1 414.527 3.886 40 0 HHABMN CCCCNC(=O)[C@H]1C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2N(C)C1 ZINC000001702070 557281619 /nfs/dbraw/zinc/28/16/19/557281619.db2.gz LTNOUVDGXDBIHL-QEORTHHSSA-N 0 1 404.352 3.807 40 0 HHABMN COC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000408605694 557517881 /nfs/dbraw/zinc/51/78/81/557517881.db2.gz JWQXIQVAPOXVHH-AWEZNQCLSA-N 0 1 410.923 3.522 40 0 HHABMN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000005844918 557677302 /nfs/dbraw/zinc/67/73/02/557677302.db2.gz ZNQCORWQHBQBDL-VGOFMYFVSA-N 0 1 409.467 3.543 40 0 HHABMN Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@H]2[C@H]1CC=CCC1 ZINC000010385483 557862074 /nfs/dbraw/zinc/86/20/74/557862074.db2.gz ONQFQSBELPLCJS-HRAATJIYSA-N 0 1 402.502 3.502 40 0 HHABMN Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752952 558272212 /nfs/dbraw/zinc/27/22/12/558272212.db2.gz PMEXHYAPJQXGLY-NRFANRHFSA-N 0 1 414.557 3.907 40 0 HHABMN CC(=O)N[C@@H](c1c(=O)n(-c2ccccc2)[nH]c1C(C)(C)C)C(Cl)(Cl)Cl ZINC000016320962 558785967 /nfs/dbraw/zinc/78/59/67/558785967.db2.gz NBOQKBNWTMRJQQ-JSGCOSHPSA-N 0 1 404.725 3.926 40 0 HHABMN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)CN3CCC(C)CC3)cc2)on1 ZINC000019123865 558844283 /nfs/dbraw/zinc/84/42/83/558844283.db2.gz RUCBMQDHLNLOSC-UHFFFAOYSA-N 0 1 419.529 3.764 40 0 HHABMN CCn1cc(CN2CCC[C@@H](c3cc4nc(C)cc(C(F)(F)F)c4c(=O)[nH]3)C2)cn1 ZINC000019524914 558906309 /nfs/dbraw/zinc/90/63/09/558906309.db2.gz VBICXSKGHXSTSK-OAHLLOKOSA-N 0 1 419.451 3.846 40 0 HHABMN CCN(CC)C(=O)c1cn[nH]c1C1CCN(C(=O)c2cccc(N3CCCC3)c2)CC1 ZINC000019526263 558907719 /nfs/dbraw/zinc/90/77/19/558907719.db2.gz DQMDSYJUHMPBOM-UHFFFAOYSA-N 0 1 423.561 3.512 40 0 HHABMN COc1ccc(OC)c(CN2CCC([C@H](NC(=O)C3CC3)c3ccccn3)CC2)c1 ZINC000019551460 558915680 /nfs/dbraw/zinc/91/56/80/558915680.db2.gz STHOONHHKPTDFJ-QHCPKHFHSA-N 0 1 409.530 3.578 40 0 HHABMN COc1cccc(CN(Cc2[nH]nnc2-c2ccccc2)C[C@@H]2CCCO2)c1OC ZINC000019567518 558926870 /nfs/dbraw/zinc/92/68/70/558926870.db2.gz BQOXJGQKOQEVME-IBGZPJMESA-N 0 1 408.502 3.670 40 0 HHABMN CNc1ncc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)cn1 ZINC000019569137 558928262 /nfs/dbraw/zinc/92/82/62/558928262.db2.gz QHCMSYVMNRTOSE-UHFFFAOYSA-N 0 1 406.412 3.761 40 0 HHABMN CN1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2N)CC1 ZINC000072229293 558931961 /nfs/dbraw/zinc/93/19/61/558931961.db2.gz QZDABCJIPFDWEV-UHFFFAOYSA-N 0 1 423.742 3.689 40 0 HHABMN CCCc1ncc(CN2CCCC[C@H]3CN(C(=O)CCc4ccccc4)C[C@H]32)cn1 ZINC000072330670 558935100 /nfs/dbraw/zinc/93/51/00/558935100.db2.gz HGRUJJZJWOODGW-XZOQPEGZSA-N 0 1 406.574 3.875 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2ccc3c(c2)ncn3C2CC2)cc1 ZINC000019663094 558953975 /nfs/dbraw/zinc/95/39/75/558953975.db2.gz NMEXUBDTYBPWHN-QHCPKHFHSA-N 0 1 413.481 3.891 40 0 HHABMN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3cnc(C)s3)c2)cn1 ZINC000019690812 558960364 /nfs/dbraw/zinc/96/03/64/558960364.db2.gz WUFBDKYFPUBBNB-NRFANRHFSA-N 0 1 407.543 3.914 40 0 HHABMN Cc1noc(CCC(=O)N2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)n1 ZINC000072375059 558963384 /nfs/dbraw/zinc/96/33/84/558963384.db2.gz KCONFNHNCJOFQO-QGZVFWFLSA-N 0 1 406.490 3.559 40 0 HHABMN COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4cn(C)nc4C)CC3)C2=O)c1 ZINC000019698507 558966217 /nfs/dbraw/zinc/96/62/17/558966217.db2.gz MKMMPPKOQICWAV-XMMPIXPASA-N 0 1 422.573 3.554 40 0 HHABMN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4ccc(F)cc4F)C[C@@H]32)no1 ZINC000585109781 559029436 /nfs/dbraw/zinc/02/94/36/559029436.db2.gz TYBZBYRNWDKPRF-CNNODRBYSA-N 0 1 409.436 3.962 40 0 HHABMN CCCc1ccc(C(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 ZINC000096239944 559103459 /nfs/dbraw/zinc/10/34/59/559103459.db2.gz CHDZVSFZRLVLLU-UHFFFAOYSA-N 0 1 407.558 3.789 40 0 HHABMN Cc1cc(O[C@H]2CN(Cc3ccc(OCC(C)(C)O)cc3)C[C@@H]2O)cc(C)c1Cl ZINC000585269173 559115231 /nfs/dbraw/zinc/11/52/31/559115231.db2.gz SQPDHXUWSXKKGZ-SFTDATJTSA-N 0 1 419.949 3.731 40 0 HHABMN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(C)c1 ZINC000000791066 559279480 /nfs/dbraw/zinc/27/94/80/559279480.db2.gz AYRRDOMVXZADPZ-UHFFFAOYSA-N 0 1 411.483 3.517 40 0 HHABMN C=C1N=C(SCC(C)C)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985911 560661657 /nfs/dbraw/zinc/66/16/57/560661657.db2.gz BLDRRORULSKGAG-GOSISDBHSA-N 0 1 422.547 3.939 40 0 HHABMN O=C1N/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccccc1 ZINC000409255100 560703102 /nfs/dbraw/zinc/70/31/02/560703102.db2.gz XVZPLVKXORUSEX-AUWJEWJLSA-N 0 1 407.651 3.901 40 0 HHABMN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000010112247 560764034 /nfs/dbraw/zinc/76/40/34/560764034.db2.gz JCVXURYFJYGJJO-UHFFFAOYSA-N 0 1 404.271 3.980 40 0 HHABMN Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000000791071 568478933 /nfs/dbraw/zinc/47/89/33/568478933.db2.gz TVTBFQZMXHBUEE-UHFFFAOYSA-N 0 1 411.483 3.517 40 0 HHABMN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000223004836 568534038 /nfs/dbraw/zinc/53/40/38/568534038.db2.gz GDDGHCVCCUJQLC-UHFFFAOYSA-N 0 1 422.934 3.704 40 0 HHABMN c1nc2nc3c(c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)n2n1)CCC3 ZINC000026521343 568550247 /nfs/dbraw/zinc/55/02/47/568550247.db2.gz ZQUXITKMKLMMDB-UHFFFAOYSA-N 0 1 410.525 3.525 40 0 HHABMN CCCC[C@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000225120874 568615501 /nfs/dbraw/zinc/61/55/01/568615501.db2.gz NDZAECZAHZCMOC-AWEZNQCLSA-N 0 1 410.565 3.594 40 0 HHABMN COc1cc(CN2CCC(NC(=S)Nc3ccccc3)CC2)cc(OC)c1OC ZINC000225227244 568624700 /nfs/dbraw/zinc/62/47/00/568624700.db2.gz HATASWYVVUEYLK-UHFFFAOYSA-N 0 1 415.559 3.663 40 0 HHABMN CN(C(=O)c1cn[nH]c1C1CCN(C(=O)CCc2ccncc2)CC1)C1CCCCC1 ZINC000257219735 568781910 /nfs/dbraw/zinc/78/19/10/568781910.db2.gz DHXYUOQLWGHQBE-UHFFFAOYSA-N 0 1 423.561 3.548 40 0 HHABMN CN1C(=O)CO[C@H]2CCN(Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@@H]21 ZINC000257230355 568784946 /nfs/dbraw/zinc/78/49/46/568784946.db2.gz GBYCBBUXUJINFL-UNMCSNQZSA-N 0 1 414.933 3.741 40 0 HHABMN Cc1nc([C@@H]2CCN(Cc3ccccc3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257244505 568788717 /nfs/dbraw/zinc/78/87/17/568788717.db2.gz ILQBPWPXGMPFBW-GOSISDBHSA-N 0 1 400.954 3.803 40 0 HHABMN CCn1cc(CN2CCO[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)cn1 ZINC000257320976 568810662 /nfs/dbraw/zinc/81/06/62/568810662.db2.gz VZOVKMSVFYKMII-XMMPIXPASA-N 0 1 423.561 3.945 40 0 HHABMN O=C(C[C@]1(COc2ccc(Cl)cc2)CN(CC2CC2)CCO1)N1CCCCC1 ZINC000257329954 568813014 /nfs/dbraw/zinc/81/30/14/568813014.db2.gz XMELQYUFJXBFJU-JOCHJYFZSA-N 0 1 406.954 3.602 40 0 HHABMN Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3ccc(N)nc3)CC2)n1 ZINC000257338208 568815429 /nfs/dbraw/zinc/81/54/29/568815429.db2.gz YWLCRSCNBXEHEQ-UHFFFAOYSA-N 0 1 406.465 3.665 40 0 HHABMN Cc1nc2ccccn2c1-c1nnc2sc(CN3CC[C@@H](c4ccccc4)C3)nn21 ZINC000227144089 568827975 /nfs/dbraw/zinc/82/79/75/568827975.db2.gz QXKJKGJVBQOFIS-QGZVFWFLSA-N 0 1 415.526 3.798 40 0 HHABMN COc1cccc(CN2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306123321 568886561 /nfs/dbraw/zinc/88/65/61/568886561.db2.gz AKBITFNHJSSZKG-XMMPIXPASA-N 0 1 413.525 3.894 40 0 HHABMN COc1cccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccc(F)cc2)c1 ZINC000306128278 568891268 /nfs/dbraw/zinc/89/12/68/568891268.db2.gz GVVMNHSXINQNPB-XZOQPEGZSA-N 0 1 405.473 3.717 40 0 HHABMN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000306134829 568896672 /nfs/dbraw/zinc/89/66/72/568896672.db2.gz NZFNHQRYYVTVMS-GOTSBHOMSA-N 0 1 405.473 3.717 40 0 HHABMN COc1ccc(CN2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306137258 568899062 /nfs/dbraw/zinc/89/90/62/568899062.db2.gz QQUWORYBDAPESN-DEOSSOPVSA-N 0 1 413.525 3.894 40 0 HHABMN CCc1ccc(CN2C[C@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306137667 568899630 /nfs/dbraw/zinc/89/96/30/568899630.db2.gz RCTCCDNDTHMQGQ-VXKWHMMOSA-N 0 1 406.555 3.897 40 0 HHABMN C[C@@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329031735 568973737 /nfs/dbraw/zinc/97/37/37/568973737.db2.gz QKQVVSLFTUHBFX-NSHDSACASA-N 0 1 405.285 3.536 40 0 HHABMN CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329070878 568975952 /nfs/dbraw/zinc/97/59/52/568975952.db2.gz ZKOQCDTWZWFDCQ-ZDUSSCGKSA-N 0 1 405.340 3.718 40 0 HHABMN Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)c(C(C)(C)C)c1 ZINC000027531064 569047384 /nfs/dbraw/zinc/04/73/84/569047384.db2.gz YXKZGVIKVVBUAB-OAQYLSRUSA-N 0 1 400.538 3.994 40 0 HHABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)ccc3OC)n2)cc1 ZINC000006154720 569329618 /nfs/dbraw/zinc/32/96/18/569329618.db2.gz YHFHTZXTUJBADC-UHFFFAOYSA-N 0 1 404.879 3.873 40 0 HHABMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(C)c1 ZINC000006391335 569332007 /nfs/dbraw/zinc/33/20/07/569332007.db2.gz XBWVUFKWKXYBPO-UDWIEESQSA-N 0 1 403.438 3.658 40 0 HHABMN N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000008477318 569341530 /nfs/dbraw/zinc/34/15/30/569341530.db2.gz ZZKPXGMIGODQPL-DEDYPNTBSA-N 0 1 415.449 3.542 40 0 HHABMN COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)CN2CCC[C@@H](C)C2)cc1OC ZINC000019496524 569345578 /nfs/dbraw/zinc/34/55/78/569345578.db2.gz IVJYZQQPTKUMQX-WMWXMDJXSA-N 0 1 400.563 3.824 40 0 HHABMN CCc1ccccc1N1C(=O)C(=Cc2ccc(OCC#N)c(OC)c2)C(=O)NC1=S ZINC000033703744 569351090 /nfs/dbraw/zinc/35/10/90/569351090.db2.gz HCSBOWXIZKLXEK-FOWTUZBSSA-N 0 1 421.478 3.832 40 0 HHABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000034702231 569351524 /nfs/dbraw/zinc/35/15/24/569351524.db2.gz AQZTVUFXPKXZMT-UHFFFAOYSA-N 0 1 423.369 3.872 40 0 HHABMN CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NCc2ccccc2)n1 ZINC000329035803 571309759 /nfs/dbraw/zinc/30/97/59/571309759.db2.gz RFLOQCWFXIMUDP-UHFFFAOYSA-N 0 1 402.542 4.441 40 0 HHABMN CCCCC(=O)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000032116629 519910562 /nfs/dbraw/zinc/91/05/62/519910562.db2.gz AWFHCEASPSSMAO-UHFFFAOYSA-N 0 1 410.131 3.920 40 0 HHABMN CC1CCN(c2nc(=O)c(C(=S)Nc3ccc(Cl)c(Cl)c3)c(N)[nH]2)CC1 ZINC000040385558 521045638 /nfs/dbraw/zinc/04/56/38/521045638.db2.gz FEOHHHVUOMIFRS-UHFFFAOYSA-N 0 1 412.346 3.683 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccccn1 ZINC000072398629 527009583 /nfs/dbraw/zinc/00/95/83/527009583.db2.gz ZZRRMPGGAFROFJ-XXBNENTESA-N 0 1 404.489 3.999 40 0 HHABMN CC(=O)c1sc(Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc1C ZINC000001637094 557278077 /nfs/dbraw/zinc/27/80/77/557278077.db2.gz SOZHFMLABRLIKH-UHFFFAOYSA-N 0 1 417.516 3.605 40 0 HHABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)N3CCCc4ccccc43)n2)c1 ZINC000408547602 557370231 /nfs/dbraw/zinc/37/02/31/557370231.db2.gz ZZGNHQTUFHHYLO-UHFFFAOYSA-N 0 1 410.499 3.560 40 0 HHABMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753745 558273067 /nfs/dbraw/zinc/27/30/67/558273067.db2.gz ZFOLKBUWLNXDPT-SFHVURJKSA-N 0 1 424.892 3.781 40 0 HHABMN Cc1nc(C2CCN(Cc3ccccn3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763893 558277653 /nfs/dbraw/zinc/27/76/53/558277653.db2.gz RXCRIILLXLDKCG-UHFFFAOYSA-N 0 1 405.477 3.951 40 0 HHABMN COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000019772653 558280387 /nfs/dbraw/zinc/28/03/87/558280387.db2.gz NCPYNQDHIIBZIX-FBHSLPMESA-N 0 1 404.595 3.656 40 0 HHABMN CCOc1ccc(NC(=O)CSc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)cc1 ZINC000019928937 558309086 /nfs/dbraw/zinc/30/90/86/558309086.db2.gz RWSCLSGLCLCGRZ-UHFFFAOYSA-N 0 1 414.487 3.618 40 0 HHABMN Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1 ZINC000020050628 558328531 /nfs/dbraw/zinc/32/85/31/558328531.db2.gz WLDMLVLUUFCOLJ-UHFFFAOYSA-N 0 1 424.526 3.692 40 0 HHABMN CN(CCc1ccccc1)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1 ZINC000012182784 558343623 /nfs/dbraw/zinc/34/36/23/558343623.db2.gz QJBJSRPVJKJVTB-LEWJYISDSA-N 0 1 424.545 3.561 40 0 HHABMN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1C ZINC000020484885 558376250 /nfs/dbraw/zinc/37/62/50/558376250.db2.gz HUGXTOBUWHKUTN-UHFFFAOYSA-N 0 1 411.483 3.517 40 0 HHABMN CCOCc1cc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)ccc1OC ZINC000012328376 558383478 /nfs/dbraw/zinc/38/34/78/558383478.db2.gz FMLFUHMIWQEYIN-UHFFFAOYSA-N 0 1 414.521 3.998 40 0 HHABMN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@@H]1CCCN(Cc3ccccc3F)C1)O2 ZINC000012407698 558398490 /nfs/dbraw/zinc/39/84/90/558398490.db2.gz CVVADQOJEXTCJE-DVECYGJZSA-N 0 1 412.505 3.856 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)NC(C)C ZINC000013683050 558567680 /nfs/dbraw/zinc/56/76/80/558567680.db2.gz UHIFDFOYSKDSSE-UHFFFAOYSA-N 0 1 416.421 3.653 40 0 HHABMN CC(=O)Nc1ccc(CN(Cc2ccncc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120624 558843096 /nfs/dbraw/zinc/84/30/96/558843096.db2.gz MEXQXFGCZHYQES-ZJSXRUAMSA-N 0 1 420.513 3.596 40 0 HHABMN Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000019236852 558856202 /nfs/dbraw/zinc/85/62/02/558856202.db2.gz AHTVFMABRZJUCG-NZQKXSOJSA-N 0 1 403.530 3.507 40 0 HHABMN O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019370382 558878582 /nfs/dbraw/zinc/87/85/82/558878582.db2.gz VWTYPWDKTDFTLR-RCZVLFRGSA-N 0 1 400.526 3.789 40 0 HHABMN Cc1nc2sccn2c1CN1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000019555095 558917906 /nfs/dbraw/zinc/91/79/06/558917906.db2.gz RGPWXGHNVHVPBW-HTAPYJJXSA-N 0 1 412.534 3.872 40 0 HHABMN COc1cccc(CN2CCNC(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)c1 ZINC000019565369 558925438 /nfs/dbraw/zinc/92/54/38/558925438.db2.gz NZAMGVHELKIYBQ-QHCPKHFHSA-N 0 1 401.510 3.548 40 0 HHABMN CN1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2N)CC1 ZINC000072229305 558931900 /nfs/dbraw/zinc/93/19/00/558931900.db2.gz MIZHTAIKAIHPFG-UHFFFAOYSA-N 0 1 423.742 3.689 40 0 HHABMN COCCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1 ZINC000019593717 558944744 /nfs/dbraw/zinc/94/47/44/558944744.db2.gz SUGUWEZSWKJAPL-QFIPXVFZSA-N 0 1 420.513 3.584 40 0 HHABMN COc1ccccc1Cc1cc(C)nc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)c1 ZINC000072353814 558950925 /nfs/dbraw/zinc/95/09/25/558950925.db2.gz OOJNBWWDDUBPHI-JOCHJYFZSA-N 0 1 407.558 3.791 40 0 HHABMN O=C(c1ccn[nH]1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359024 558954733 /nfs/dbraw/zinc/95/47/33/558954733.db2.gz PKEGJTDPAAFARC-AWEZNQCLSA-N 0 1 401.392 3.905 40 0 HHABMN CC1CCN(C(=O)CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)CC1 ZINC000019687486 558957393 /nfs/dbraw/zinc/95/73/93/558957393.db2.gz VTITZABVTJNJLY-OAQYLSRUSA-N 0 1 421.589 3.648 40 0 HHABMN Cc1nn(C)cc1CN1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698504 558966171 /nfs/dbraw/zinc/96/61/71/558966171.db2.gz WHKIKWLAJKHHLK-QHCPKHFHSA-N 0 1 410.537 3.685 40 0 HHABMN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN(C)Cc4cccnc4)C3)CC2)cc1F ZINC000585104877 559027525 /nfs/dbraw/zinc/02/75/25/559027525.db2.gz VCWANOFBVQZJIV-NRFANRHFSA-N 0 1 411.521 3.672 40 0 HHABMN O=C(C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053225 559093093 /nfs/dbraw/zinc/09/30/93/559093093.db2.gz SGVQHKUZLBZCCD-OAQYLSRUSA-N 0 1 405.542 3.995 40 0 HHABMN Cc1cnc(Nc2cccc(CC3CCN(Cc4cnc(N(C)C)nc4)CC3)n2)s1 ZINC000585263664 559112195 /nfs/dbraw/zinc/11/21/95/559112195.db2.gz YQXMUVJIYYJENU-UHFFFAOYSA-N 0 1 423.590 3.901 40 0 HHABMN Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)C=Cc3c[nH]cn3)C2)n1 ZINC000585291040 559123530 /nfs/dbraw/zinc/12/35/30/559123530.db2.gz IFLGSKQTNLBICQ-DVBCCOPCSA-N 0 1 402.502 3.980 40 0 HHABMN Cc1cc2nc3c(c(=O)n2[n-]1)C[C@H]1CC[C@@H](C3)[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC000100219580 559132141 /nfs/dbraw/zinc/13/21/41/559132141.db2.gz QDRZTEJONAZVRS-UXHICEINSA-N 0 1 411.509 3.937 40 0 HHABMN CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC ZINC000008053316 559271569 /nfs/dbraw/zinc/27/15/69/559271569.db2.gz RYVKBENANPXBSF-UHFFFAOYSA-N 0 1 415.895 3.955 40 0 HHABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000136458153 559277112 /nfs/dbraw/zinc/27/71/12/559277112.db2.gz AJAPTWKTHVPRHV-FDFHNCONSA-N 0 1 418.424 3.885 40 0 HHABMN COCCCN1C(=O)S/C(=C/c2cc(Cl)cc(Br)c2O)C1=O ZINC000409248064 560701847 /nfs/dbraw/zinc/70/18/47/560701847.db2.gz JTJKAQGSIVYLBO-IZZDOVSWSA-N 0 1 406.685 3.881 40 0 HHABMN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCc3ccc(OC)cc3)o2)c1 ZINC000007540752 560751590 /nfs/dbraw/zinc/75/15/90/560751590.db2.gz PQMYNPVOFFEOHQ-UHFFFAOYSA-N 0 1 409.438 3.818 40 0 HHABMN COc1ccc(OC)c(N(CC(=O)NCc2ccccc2)c2n[nH]c(=S)s2)c1 ZINC000007275113 568479558 /nfs/dbraw/zinc/47/95/58/568479558.db2.gz KFORQXWXTQYYLS-UHFFFAOYSA-N 0 1 416.528 3.672 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)cc1Cl ZINC000223649469 568554865 /nfs/dbraw/zinc/55/48/65/568554865.db2.gz ZZCTVXQPYBEEAH-UHFFFAOYSA-N 0 1 413.879 3.723 40 0 HHABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000223840536 568560497 /nfs/dbraw/zinc/56/04/97/568560497.db2.gz VAPKTAYWBCYOQR-UHFFFAOYSA-N 0 1 418.696 3.998 40 0 HHABMN COc1cc2c(cc1S(=O)(=O)Nc1cccc(N3CCCC3=O)c1)CCCC2 ZINC000224071866 568568574 /nfs/dbraw/zinc/56/85/74/568568574.db2.gz NQDUEGAADVAGMO-UHFFFAOYSA-N 0 1 400.500 3.502 40 0 HHABMN CCOC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1C ZINC000224077060 568568853 /nfs/dbraw/zinc/56/88/53/568568853.db2.gz PBIHKDKINJKTDF-UHFFFAOYSA-N 0 1 403.500 3.860 40 0 HHABMN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000225269610 568627044 /nfs/dbraw/zinc/62/70/44/568627044.db2.gz SNYQGNYXQMKKTH-IBGZPJMESA-N 0 1 400.906 3.508 40 0 HHABMN O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000225269574 568627148 /nfs/dbraw/zinc/62/71/48/568627148.db2.gz SNYQGNYXQMKKTH-LJQANCHMSA-N 0 1 400.906 3.508 40 0 HHABMN COc1ccccc1N1CCC([N@@H+](CC(=O)[O-])Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000257239720 568787479 /nfs/dbraw/zinc/78/74/79/568787479.db2.gz HQMSMYABXKYHGA-UHFFFAOYSA-N 0 1 424.541 3.964 40 0 HHABMN Cc1cc(N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)nc(C)n1 ZINC000257242108 568788030 /nfs/dbraw/zinc/78/80/30/568788030.db2.gz IBDPZPXAOMHYFS-HXUWFJFHSA-N 0 1 413.909 3.669 40 0 HHABMN c1cnc2cccc(C[C@H]3COCCN(Cc4ccnc(N5CCCCC5)n4)C3)c2c1 ZINC000257284022 568799519 /nfs/dbraw/zinc/79/95/19/568799519.db2.gz PAXYGWULZFEWDU-HXUWFJFHSA-N 0 1 417.557 3.706 40 0 HHABMN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4)[C@@H]3C[C@H]21 ZINC000257313221 568808158 /nfs/dbraw/zinc/80/81/58/568808158.db2.gz URLCXQFPODQFEK-UKAVVXHISA-N 0 1 409.482 3.982 40 0 HHABMN C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccc1[O-] ZINC000257321598 568810887 /nfs/dbraw/zinc/81/08/87/568810887.db2.gz WCIFUUNCCVOYIV-IOXNLNJLSA-N 0 1 405.542 3.876 40 0 HHABMN C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ncccc1[O-] ZINC000257321598 568810888 /nfs/dbraw/zinc/81/08/88/568810888.db2.gz WCIFUUNCCVOYIV-IOXNLNJLSA-N 0 1 405.542 3.876 40 0 HHABMN CC(C)(C)c1ccc(OCC(=O)[O-])c(C[N@H+]2CCCC[C@]3(C)NC(=O)CCC[C@H]23)c1 ZINC000257329083 568812816 /nfs/dbraw/zinc/81/28/16/568812816.db2.gz XIIFOJYOHOEVKA-RDPSFJRHSA-N 0 1 416.562 3.861 40 0 HHABMN Cc1cccc(Nc2cccc([C@H]3CN(C(=O)c4cc(C(C)C)[nH]n4)CCO3)n2)n1 ZINC000257332460 568813819 /nfs/dbraw/zinc/81/38/19/568813819.db2.gz XXKIFBLYDYNETA-LJQANCHMSA-N 0 1 406.490 3.589 40 0 HHABMN COc1cccc(CN2C[C@@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)c1 ZINC000306128277 568891203 /nfs/dbraw/zinc/89/12/03/568891203.db2.gz GVVMNHSXINQNPB-PKTZIBPZSA-N 0 1 405.473 3.717 40 0 HHABMN CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328978246 568970900 /nfs/dbraw/zinc/97/09/00/568970900.db2.gz FXDDHBHAHIZFTA-SFHVURJKSA-N 0 1 424.467 3.929 40 0 HHABMN CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329001639 568972067 /nfs/dbraw/zinc/97/20/67/568972067.db2.gz KFLWKLBHLQWGRP-SFHVURJKSA-N 0 1 424.467 3.929 40 0 HHABMN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 ZINC000035075042 569027776 /nfs/dbraw/zinc/02/77/76/569027776.db2.gz QCGIJUQOHNQJLX-YZZIRNTPSA-N 0 1 404.570 3.930 40 0 HHABMN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccc(F)cc3)CC1)C2 ZINC000035075043 569027809 /nfs/dbraw/zinc/02/78/09/569027809.db2.gz QCGIJUQOHNQJLX-QBTGUUFSSA-N 0 1 404.570 3.930 40 0 HHABMN CC[C@@H](OC[C@H](O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022787650 569042758 /nfs/dbraw/zinc/04/27/58/569042758.db2.gz RCDXKNBTCDIRQZ-DHIUTWEWSA-N 0 1 402.966 3.986 40 0 HHABMN CC(C)OC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1 ZINC000010475606 569344416 /nfs/dbraw/zinc/34/44/16/569344416.db2.gz OEUQQTXYBYHRMK-UHFFFAOYSA-N 0 1 410.499 3.692 40 0 HHABMN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)CN2CCC[C@@H](C)C2)cc1OC ZINC000019496522 569345575 /nfs/dbraw/zinc/34/55/75/569345575.db2.gz IVJYZQQPTKUMQX-MKZXLKEFSA-N 0 1 400.563 3.824 40 0 HHABMN Cn1nccc1CN1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1C(F)(F)F ZINC000019713316 569348362 /nfs/dbraw/zinc/34/83/62/569348362.db2.gz ODJFZVWUDHQABU-RTBURBONSA-N 0 1 406.452 3.595 40 0 HHABMN CN1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)CC1 ZINC000033738077 569351185 /nfs/dbraw/zinc/35/11/85/569351185.db2.gz QNEIOOQGPLSDBA-DHZHZOJOSA-N 0 1 414.962 3.618 40 0 HHABMN CC(C)[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1 ZINC000329032880 571306244 /nfs/dbraw/zinc/30/62/44/571306244.db2.gz QQXZSMCUWFQCSQ-KRWDZBQOSA-N 0 1 405.340 4.157 40 0 HHABMN CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4ccc(OC)cc4)C3)nc2c1 ZINC000049169102 291250202 /nfs/dbraw/zinc/25/02/02/291250202.db2.gz UXGLRHSLZYCSJX-INIZCTEOSA-N 0 1 400.500 3.620 40 0 biogenic,in-vitro HHABMN COc1ccccc1CNC[C@H]1O[C@H](Cc2cc(-c3ccccc3)on2)CC[C@@H]1O ZINC000077262887 291255854 /nfs/dbraw/zinc/25/58/54/291255854.db2.gz XWHQPOJMJWKSGV-AWRGLXIESA-N 0 1 408.498 3.591 40 0 biogenic,in-vitro HHABMN O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 ZINC000049169733 291259459 /nfs/dbraw/zinc/25/94/59/291259459.db2.gz PFCPMSNCKXPEQU-KRWDZBQOSA-N 0 1 402.454 3.829 40 0 biogenic,in-vitro HHABMN COc1cc2c(cc1OC)CN(C[C@@H](O)CO[C@@H]1C[C@@H]3CC[C@@]1(C)C3(C)C)CC2 ZINC000032594513 523031889 /nfs/dbraw/zinc/03/18/89/523031889.db2.gz DHFDBTZMHIWGFB-JDKSZYQJSA-N 0 1 403.563 3.654 40 0 HHABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000408587096 557493787 /nfs/dbraw/zinc/49/37/87/557493787.db2.gz BIOZXNYLOAALOQ-UHFFFAOYSA-N 0 1 423.659 3.754 40 0 HHABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 ZINC000408611785 557529678 /nfs/dbraw/zinc/52/96/78/557529678.db2.gz WNBAHANAQZQKCM-UHFFFAOYSA-N 0 1 424.478 3.835 40 0 HHABMN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1OC ZINC000408626818 557559803 /nfs/dbraw/zinc/55/98/03/557559803.db2.gz IQBZTZUPLZQGSZ-UHFFFAOYSA-N 0 1 401.271 3.843 40 0 HHABMN COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000005845753 557677237 /nfs/dbraw/zinc/67/72/37/557677237.db2.gz GQGMPNWGVMWXIH-NTEUORMPSA-N 0 1 409.467 3.543 40 0 HHABMN COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C2CCOCC2)nc1C ZINC000019753423 558272786 /nfs/dbraw/zinc/27/27/86/558272786.db2.gz YPYQGRYKXNIROT-FQEVSTJZSA-N 0 1 410.518 3.752 40 0 HHABMN Cc1nc(C2CCN(Cc3ccccn3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766593 558278752 /nfs/dbraw/zinc/27/87/52/558278752.db2.gz NHAYNTHGSPUWEX-UHFFFAOYSA-N 0 1 419.504 3.629 40 0 HHABMN CCC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000012365818 558388096 /nfs/dbraw/zinc/38/80/96/558388096.db2.gz ITGGQNYEZHBJLS-BEFAXECRSA-N 0 1 403.548 3.640 40 0 HHABMN CCC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000012365821 558388341 /nfs/dbraw/zinc/38/83/41/558388341.db2.gz ITGGQNYEZHBJLS-HNAYVOBHSA-N 0 1 403.548 3.640 40 0 HHABMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(CC)cc2)c1 ZINC000016161554 558774637 /nfs/dbraw/zinc/77/46/37/558774637.db2.gz OAFFAQKITVEKGB-UHFFFAOYSA-N 0 1 409.530 3.820 40 0 HHABMN COc1cccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000100932825 558810656 /nfs/dbraw/zinc/81/06/56/558810656.db2.gz XIRGTAFIESYEAK-FKBYEOEOSA-N 0 1 418.424 3.885 40 0 HHABMN COc1ccc(CN[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1OC ZINC000019285164 558859676 /nfs/dbraw/zinc/85/96/76/558859676.db2.gz JRWQONSBUASZPQ-HXUWFJFHSA-N 0 1 418.497 3.650 40 0 HHABMN CC[C@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019499823 558897732 /nfs/dbraw/zinc/89/77/32/558897732.db2.gz ADSQQGFMIKJEGU-HOTGVXAUSA-N 0 1 414.575 3.554 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019502878 558900282 /nfs/dbraw/zinc/90/02/82/558900282.db2.gz XTLSZKLFAWKSRI-IBGZPJMESA-N 0 1 422.554 3.692 40 0 HHABMN COc1ccnc(CN2CCC[C@@H](c3nc(C)ncc3-c3ccncc3)C2)c1OC ZINC000072334718 558935860 /nfs/dbraw/zinc/93/58/60/558935860.db2.gz YWBXXEJLLFHISX-GOSISDBHSA-N 0 1 405.502 3.639 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@H](c2ccc(Cl)cc2)N(C)C)cc1 ZINC000019581514 558937213 /nfs/dbraw/zinc/93/72/13/558937213.db2.gz SOYWDOWPVDQDAR-YADHBBJMSA-N 0 1 424.932 3.849 40 0 HHABMN CNc1ncccc1CN1CCC(c2n[nH]cc2C(=O)N(C)C2CCCCC2)CC1 ZINC000019592038 558942894 /nfs/dbraw/zinc/94/28/94/558942894.db2.gz JLVIORRWUUEENM-UHFFFAOYSA-N 0 1 410.566 3.631 40 0 HHABMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cnc(-c2ccc(Cl)cc2)nc1 ZINC000019661850 558952959 /nfs/dbraw/zinc/95/29/59/558952959.db2.gz YZHPMAAZSIJCKG-UHFFFAOYSA-N 0 1 407.905 3.586 40 0 HHABMN CN(C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cccc(F)c1 ZINC000019662057 558953114 /nfs/dbraw/zinc/95/31/14/558953114.db2.gz OYMXYBYDECJXMZ-FQEVSTJZSA-N 0 1 404.913 3.946 40 0 HHABMN Cc1cnc(Nc2cc(C)nc([C@H]3CCCN3CC(=O)NCc3ccccn3)c2)s1 ZINC000072372569 558960143 /nfs/dbraw/zinc/96/01/43/558960143.db2.gz GPSKSSWWGOANFA-HXUWFJFHSA-N 0 1 422.558 3.747 40 0 HHABMN Nc1[nH]nc2nc([C@@H]3CCCCN3C(=O)COc3ccccc3)cc(C(F)(F)F)c12 ZINC000019695519 558963933 /nfs/dbraw/zinc/96/39/33/558963933.db2.gz LXFLGYNPJQAFSZ-HNNXBMFYSA-N 0 1 419.407 3.692 40 0 HHABMN Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)Cc3ccccc3)cc(C(F)(F)F)c12 ZINC000019695544 558964149 /nfs/dbraw/zinc/96/41/49/558964149.db2.gz NAGUYLHUTQGCDC-OAHLLOKOSA-N 0 1 403.408 3.855 40 0 HHABMN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(Cl)c(Cl)c4)C[C@H]32)c(OC)n1 ZINC000072392589 558972453 /nfs/dbraw/zinc/97/24/53/558972453.db2.gz PJIDDNPZCHITPG-XBHMSOGKSA-N 0 1 424.328 3.530 40 0 HHABMN CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2cncn2CC)C1 ZINC000072394094 558973584 /nfs/dbraw/zinc/97/35/84/558973584.db2.gz BDPPFMLIPZQFBZ-DEOSSOPVSA-N 0 1 422.529 3.946 40 0 HHABMN COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)CN2CCC[C@H](C)C2)cc1OC ZINC000257367402 559017871 /nfs/dbraw/zinc/01/78/71/559017871.db2.gz IVJYZQQPTKUMQX-UQXHYBKOSA-N 0 1 400.563 3.824 40 0 HHABMN CCc1ccccc1C(=O)N1CCC2(CO[C@@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000585102972 559026274 /nfs/dbraw/zinc/02/62/74/559026274.db2.gz ADQTUKQBTYWPNM-JOCHJYFZSA-N 0 1 407.558 3.787 40 0 HHABMN O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053106 559092955 /nfs/dbraw/zinc/09/29/55/559092955.db2.gz PHBYMVYBLJPGBP-NRFANRHFSA-N 0 1 405.542 3.899 40 0 HHABMN O=C(C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053223 559093060 /nfs/dbraw/zinc/09/30/60/559093060.db2.gz OJUVJBRIIFFFSW-HXUWFJFHSA-N 0 1 405.542 3.995 40 0 HHABMN N[C@H](C(=O)NC[C@H]1CC[C@H](c2ccnc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000100708845 559138195 /nfs/dbraw/zinc/13/81/95/559138195.db2.gz ANMSEIJIPACNNM-SVMVAKDDSA-N 0 1 416.529 3.705 40 0 HHABMN O[C@H](COC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022823038 559274321 /nfs/dbraw/zinc/27/43/21/559274321.db2.gz LXWJFNRCGIHCSA-HZHDVADBSA-N 0 1 419.009 3.804 40 0 HHABMN O=C1N(CCc2ccccc2)CC=CC[C@@]12CN(Cc1ccc3[nH]ccc3c1)CCO2 ZINC000257217416 559282720 /nfs/dbraw/zinc/28/27/20/559282720.db2.gz CYVODJOWKGVSOL-AREMUKBSSA-N 0 1 415.537 3.770 40 0 HHABMN COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000409043665 560669247 /nfs/dbraw/zinc/66/92/47/560669247.db2.gz SXPBYINTZVHGLL-OVCLIPMQSA-N 0 1 417.259 3.525 40 0 HHABMN COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000014152498 560839023 /nfs/dbraw/zinc/83/90/23/560839023.db2.gz CHJPPYQPNCCCEQ-UHFFFAOYSA-N 0 1 402.863 3.643 40 0 HHABMN COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000020765318 568458880 /nfs/dbraw/zinc/45/88/80/568458880.db2.gz YEZYWTMSZDFGJL-UHFFFAOYSA-N 0 1 420.288 3.843 40 0 HHABMN CCn1c2cc(Cl)c(S(=O)(=O)Nc3ccc(OC)c(Cl)c3)cc2oc1=O ZINC000223364980 568546611 /nfs/dbraw/zinc/54/66/11/568546611.db2.gz UMMOJLXHFHNJFS-UHFFFAOYSA-N 0 1 417.270 3.731 40 0 HHABMN COc1ccccc1OCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224534691 568583996 /nfs/dbraw/zinc/58/39/96/568583996.db2.gz KHTIYTUMNVKELX-UHFFFAOYSA-N 0 1 402.922 3.756 40 0 HHABMN CCCC[C@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000225120683 568615522 /nfs/dbraw/zinc/61/55/22/568615522.db2.gz NCNOUQYJMYAJSN-AWEZNQCLSA-N 0 1 410.565 3.594 40 0 HHABMN NC(=O)c1cccc(-c2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257230697 568785175 /nfs/dbraw/zinc/78/51/75/568785175.db2.gz GDLZEESWZDIWHP-RUZDIDTESA-N 0 1 424.504 3.969 40 0 HHABMN c1cnc2c(c1)cccc2C[C@H]1COCCN(Cc2ccnc(N3CCCCC3)n2)C1 ZINC000257313997 568808353 /nfs/dbraw/zinc/80/83/53/568808353.db2.gz UUYWLFGBPYAGMF-HXUWFJFHSA-N 0 1 417.557 3.706 40 0 HHABMN Cc1ccc(CN2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)s1 ZINC000306134770 568896745 /nfs/dbraw/zinc/89/67/45/568896745.db2.gz NXTRKLYOYOUWNP-NRFANRHFSA-N 0 1 404.543 3.650 40 0 HHABMN O=S1(=O)N(CC2CC2)c2ccccc2C12CCN(Cc1ccc(F)cc1)CC2 ZINC000306138103 568900259 /nfs/dbraw/zinc/90/02/59/568900259.db2.gz RPDKJKZIIWMBFX-UHFFFAOYSA-N 0 1 400.519 3.877 40 0 HHABMN COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(Cc4cnn(C)c4)C3)nn2c1 ZINC000306139377 568901366 /nfs/dbraw/zinc/90/13/66/568901366.db2.gz SVQHNWXWVPBPSK-GOSISDBHSA-N 0 1 420.492 3.657 40 0 HHABMN CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(C(C)(C)O)ccc3C2)n1 ZINC000328974754 568970650 /nfs/dbraw/zinc/97/06/50/568970650.db2.gz FGMCYTPVXHZOAP-FQEVSTJZSA-N 0 1 412.578 3.819 40 0 HHABMN COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(N)ccc1N1CCN(C)CC1 ZINC000226259632 569278709 /nfs/dbraw/zinc/27/87/09/569278709.db2.gz WKMBHADPINFCOT-UHFFFAOYSA-N 0 1 409.317 3.588 40 0 HHABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000006169979 569329715 /nfs/dbraw/zinc/32/97/15/569329715.db2.gz MFISCXBCIYDFAG-UHFFFAOYSA-N 0 1 404.879 3.873 40 0 HHABMN C=CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c2ccccc21 ZINC000006954915 569335846 /nfs/dbraw/zinc/33/58/46/569335846.db2.gz IMJQMDHNCLHKBX-GHRIWEEISA-N 0 1 417.490 3.667 40 0 HHABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 ZINC000007605386 569337995 /nfs/dbraw/zinc/33/79/95/569337995.db2.gz FSVYDGURNMZJCR-UHFFFAOYSA-N 0 1 401.879 3.814 40 0 HHABMN O=C(CC1CCCC1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1 ZINC000019704972 569347777 /nfs/dbraw/zinc/34/77/77/569347777.db2.gz SUZLGLXNBCHDDA-QGZVFWFLSA-N 0 1 404.518 3.861 40 0 HHABMN COc1ccccc1[C@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000018056145 569383491 /nfs/dbraw/zinc/38/34/91/569383491.db2.gz DVRPZJPCGJGFTH-FKBYEOEOSA-N 0 1 418.424 3.885 40 0 HHABMN COc1ccc(N2OC3=C([O-])N(c4ccccc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000018105516 569383667 /nfs/dbraw/zinc/38/36/67/569383667.db2.gz NFRIQTUVSBIGGV-BHIFYINESA-N 0 1 400.434 3.746 40 0 HHABMN COc1ccc(N2O[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000018105516 569383669 /nfs/dbraw/zinc/38/36/69/569383669.db2.gz NFRIQTUVSBIGGV-BHIFYINESA-N 0 1 400.434 3.746 40 0 HHABMN Cc1ccccc1CN1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 ZINC000019700900 569428675 /nfs/dbraw/zinc/42/86/75/569428675.db2.gz VEHRKLJMDDBCPO-SANMLTNESA-N 0 1 415.537 3.520 40 0 HHABMN COc1ccc(C(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000020464485 575366965 /nfs/dbraw/zinc/36/69/65/575366965.db2.gz WWGSYTVRTYHQOD-FQEVSTJZSA-N 0 1 415.453 3.717 40 0 biogenic,in-vitro HHABMN CCNC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=[NH+]CCc3ccc(C(C)(C)C)cc32)C1 ZINC000049590561 291249852 /nfs/dbraw/zinc/24/98/52/291249852.db2.gz WRGFGCAOSZEPBD-ROUUACIJSA-N 0 1 413.562 3.862 40 0 biogenic,in-vitro HHABMN Cc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)NC3CCCCC3)n2)c1 ZINC000015675884 291257390 /nfs/dbraw/zinc/25/73/90/291257390.db2.gz OKJBASGLCXJAGA-IBGZPJMESA-N 0 1 406.490 3.910 40 0 biogenic,in-vitro HHABMN COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)oc21 ZINC000044842210 524259922 /nfs/dbraw/zinc/25/99/22/524259922.db2.gz LUCVDQVZLPSAEX-UHFFFAOYSA-N 0 1 423.450 3.890 40 0 HHABMN Cn1c2ccc(CN(CCCn3ccnc3)Cc3ccccc3Cl)cc2n(C)c1=O ZINC000043277791 527100111 /nfs/dbraw/zinc/10/01/11/527100111.db2.gz WAFDXTYGZIUOJA-UHFFFAOYSA-N 0 1 423.948 3.819 40 0 HHABMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1NC(C)=O ZINC000408561284 557459736 /nfs/dbraw/zinc/45/97/36/557459736.db2.gz RTOMFVMIIMEQSW-UHFFFAOYSA-N 0 1 402.394 3.863 40 0 HHABMN O=C([O-])CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000408603215 557523685 /nfs/dbraw/zinc/52/36/85/557523685.db2.gz BNKCNMRVJUGPQQ-IBGZPJMESA-N 0 1 404.869 3.843 40 0 HHABMN Cc1nc([C@H]2CCCN(Cc3ccncc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766359 558278741 /nfs/dbraw/zinc/27/87/41/558278741.db2.gz WRYPSYLBOWIMRR-FQEVSTJZSA-N 0 1 419.504 3.629 40 0 HHABMN Cc1ccc2nc([C@H]3CCCCN3C(=O)[C@@H](C)c3n[nH]c(=O)c4ccccc43)[nH]c2c1 ZINC000012116170 558328214 /nfs/dbraw/zinc/32/82/14/558328214.db2.gz AUPRNVRNDRQAKD-MGPUTAFESA-N 0 1 415.497 3.965 40 0 HHABMN COc1ccc(C2(NCc3c(=O)n4ccccc4nc3N3CCCC3)CCCC2)cc1 ZINC000012344180 558386277 /nfs/dbraw/zinc/38/62/77/558386277.db2.gz WHHGJABXUKUKIF-UHFFFAOYSA-N 0 1 418.541 3.862 40 0 HHABMN COc1ccc(NC(=O)C2([N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CCCCC2)cc1 ZINC000016036075 558769637 /nfs/dbraw/zinc/76/96/37/558769637.db2.gz JPOZDPITGXJBJC-MOPGFXCFSA-N 0 1 421.541 3.618 40 0 HHABMN Cc1ccc(-c2ccccc2C[C@@H]2CN(Cc3cnc(C)nc3)CCNC2=O)c(C)c1 ZINC000019132890 558845837 /nfs/dbraw/zinc/84/58/37/558845837.db2.gz LHJYFYXBFURBAX-HSZRJFAPSA-N 0 1 414.553 3.860 40 0 HHABMN CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2cccc(C)c2)CCO1 ZINC000019235043 558854118 /nfs/dbraw/zinc/85/41/18/558854118.db2.gz CWCQCFWGISCEPV-AREMUKBSSA-N 0 1 415.537 3.617 40 0 HHABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)c2ccccc2F)CC1 ZINC000019288917 558861732 /nfs/dbraw/zinc/86/17/32/558861732.db2.gz CMYDDQSMOLQZON-UHFFFAOYSA-N 0 1 410.468 3.760 40 0 HHABMN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019449362 558888058 /nfs/dbraw/zinc/88/80/58/558888058.db2.gz OBJRMBHAFGEXSM-VWLOTQADSA-N 0 1 416.525 3.676 40 0 HHABMN CC(C)c1cc(C(=O)N2CC[C@](Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)n[nH]1 ZINC000019451725 558889654 /nfs/dbraw/zinc/88/96/54/558889654.db2.gz VSTFXPSEMAFYDE-HSZRJFAPSA-N 0 1 422.554 3.822 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000019502697 558900172 /nfs/dbraw/zinc/90/01/72/558900172.db2.gz CVEVGRKLCLJBTI-QFIPXVFZSA-N 0 1 416.525 3.630 40 0 HHABMN CCN1CCN(Cc2ccccn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527449 558908695 /nfs/dbraw/zinc/90/86/95/558908695.db2.gz RGBJALRINFTFRA-QHCPKHFHSA-N 0 1 400.526 3.667 40 0 HHABMN Cc1noc2nc([C@@H]3CCCN(Cc4cnc(N(C)C)nc4)C3)cc(C(F)F)c12 ZINC000019564400 558924431 /nfs/dbraw/zinc/92/44/31/558924431.db2.gz QBRGVWSAZJFCQY-CQSZACIVSA-N 0 1 402.449 3.704 40 0 HHABMN CC(C)N(C(=O)CN1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1)C(C)C ZINC000019574962 558932602 /nfs/dbraw/zinc/93/26/02/558932602.db2.gz SSKLGTXTFHBSFV-HLLBOEOZSA-N 0 1 415.504 3.625 40 0 HHABMN COc1cccc(Cc2cccc([C@@H]3CCCN(CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072348713 558945479 /nfs/dbraw/zinc/94/54/79/558945479.db2.gz YQAGFDZYXIYSPA-OAQYLSRUSA-N 0 1 407.558 3.873 40 0 HHABMN COCCc1ncc(CN2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353457 558950384 /nfs/dbraw/zinc/95/03/84/558950384.db2.gz AQAWUDXJPGXXRS-FQEVSTJZSA-N 0 1 418.545 3.887 40 0 HHABMN COCCc1ncc(CN2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cn1 ZINC000072353454 558950432 /nfs/dbraw/zinc/95/04/32/558950432.db2.gz RSKNVTBZDLTRCB-HXUWFJFHSA-N 0 1 418.545 3.887 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2sc(N3CCCC3)nc2C)cc1 ZINC000019663601 558954427 /nfs/dbraw/zinc/95/44/27/558954427.db2.gz NDSKLWCYZXAENR-IBGZPJMESA-N 0 1 423.542 3.571 40 0 HHABMN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)CN2CCCC2)n1 ZINC000019689437 558958869 /nfs/dbraw/zinc/95/88/69/558958869.db2.gz INTTWTMJYUAVQP-LJQANCHMSA-N 0 1 413.953 3.622 40 0 HHABMN COCCc1ncc(CN2CCC(c3ccc(Nc4cccc(C)n4)cn3)CC2)cn1 ZINC000072374322 558961721 /nfs/dbraw/zinc/96/17/21/558961721.db2.gz SQACNOOCLBQCIV-UHFFFAOYSA-N 0 1 418.545 3.887 40 0 HHABMN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2Cc2cn(C)nc2C)cc1 ZINC000019694313 558962661 /nfs/dbraw/zinc/96/26/61/558962661.db2.gz GYXBQYSIPAMSTK-QFIPXVFZSA-N 0 1 420.561 3.987 40 0 HHABMN Cc1ccc2n[nH]c(C(=O)N3CC[C@@H](c4cc(-c5ccc(N)nc5)cc(C)n4)C3)c2c1 ZINC000072374730 558962702 /nfs/dbraw/zinc/96/27/02/558962702.db2.gz JLKVSSPYKUTKDB-QGZVFWFLSA-N 0 1 412.497 3.849 40 0 HHABMN COCCc1ncc(CN2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376098 558965415 /nfs/dbraw/zinc/96/54/15/558965415.db2.gz VHFBKYBVJRECQE-FQEVSTJZSA-N 0 1 418.545 3.887 40 0 HHABMN CC(C)(C)CN1CCO[C@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 ZINC000072389085 558969559 /nfs/dbraw/zinc/96/95/59/558969559.db2.gz CMJRTWGVGPYGGG-VWLOTQADSA-N 0 1 407.558 3.687 40 0 HHABMN O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccc(Cl)cc2)N1CCN1CCOCC1 ZINC000015105855 558987224 /nfs/dbraw/zinc/98/72/24/558987224.db2.gz JHTUWKCAYQYRBG-QFIPXVFZSA-N 0 1 422.916 3.608 40 0 HHABMN O=C(CCc1cccnc1)N1CCC2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000096202450 559101266 /nfs/dbraw/zinc/10/12/66/559101266.db2.gz HLEKUKWJFAWSMV-UHFFFAOYSA-N 0 1 403.448 3.768 40 0 HHABMN Cc1c(F)cccc1NC(=O)CN1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000585261786 559109393 /nfs/dbraw/zinc/10/93/93/559109393.db2.gz MCVYVYMTKXSQEG-WPWBMXPQSA-N 0 1 423.532 3.817 40 0 HHABMN CC(=O)Nc1ccc(CN2CCc3[nH]c4cc(-c5ccoc5C)nn4c(=O)c3C2)cc1 ZINC000100752974 559139805 /nfs/dbraw/zinc/13/98/05/559139805.db2.gz MWGYKIODTSMCEG-UHFFFAOYSA-N 0 1 417.469 3.520 40 0 HHABMN CCc1ccc(N[C@H]2NC(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)S2)cc1 ZINC000408785295 560641370 /nfs/dbraw/zinc/64/13/70/560641370.db2.gz YDUXNVGTRICGSH-XNRGHRQISA-N 0 1 406.511 3.730 40 0 HHABMN CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000006415743 560742002 /nfs/dbraw/zinc/74/20/02/560742002.db2.gz UCACAJZEGRLKMO-UHFFFAOYSA-N 0 1 424.950 3.914 40 0 HHABMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 ZINC000007360848 560750467 /nfs/dbraw/zinc/75/04/67/560750467.db2.gz BFBSJPKDIDGOPF-UHFFFAOYSA-N 0 1 418.515 3.521 40 0 HHABMN CCCc1ccc(CN2CCC(O)(c3cnc(OCC)nc3OCC)CC2)s1 ZINC000057743870 568495658 /nfs/dbraw/zinc/49/56/58/568495658.db2.gz HGDAXGIATDIOBI-UHFFFAOYSA-N 0 1 405.564 3.772 40 0 HHABMN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000223310525 568544841 /nfs/dbraw/zinc/54/48/41/568544841.db2.gz ZPJUTAMHPWZTRI-UHFFFAOYSA-N 0 1 420.840 3.838 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c(Cl)c1Cl ZINC000223639334 568554475 /nfs/dbraw/zinc/55/44/75/568554475.db2.gz JHJYFUIZHQNSBE-UHFFFAOYSA-N 0 1 403.287 3.505 40 0 HHABMN Cn1cc(CN2CCC(c3ccnc(Nc4ncccc4C(F)(F)F)n3)CC2)cn1 ZINC000257222572 568782809 /nfs/dbraw/zinc/78/28/09/568782809.db2.gz DTUOEBLRNVYBFA-UHFFFAOYSA-N 0 1 417.439 3.747 40 0 HHABMN O=C(C1CCCC1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257253127 568791218 /nfs/dbraw/zinc/79/12/18/568791218.db2.gz JXRNMQKJDBRKLO-HXUWFJFHSA-N 0 1 403.910 3.775 40 0 HHABMN COc1cccc(N2CCC([N@@H+](CCc3ccc(Cl)cc3)CC(=O)[O-])CC2)c1 ZINC000257268487 568795215 /nfs/dbraw/zinc/79/52/15/568795215.db2.gz MLWVHFCXWZVSFX-UHFFFAOYSA-N 0 1 402.922 3.947 40 0 HHABMN CC(C)(C)CC(=O)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000257271328 568795941 /nfs/dbraw/zinc/79/59/41/568795941.db2.gz MXVVFMOQLWMPGI-UHFFFAOYSA-N 0 1 408.546 3.750 40 0 HHABMN O=C(C[C@@H]1C=CCC1)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000257303230 568805356 /nfs/dbraw/zinc/80/53/56/568805356.db2.gz SGHBOSNHCWIIII-GOSISDBHSA-N 0 1 418.541 3.671 40 0 HHABMN COCCc1ncc(CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)cn1 ZINC000257311929 568807717 /nfs/dbraw/zinc/80/77/17/568807717.db2.gz ULQWITBTAHHYLZ-UHFFFAOYSA-N 0 1 404.518 3.579 40 0 HHABMN CCN(CC)C(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000257327874 568812517 /nfs/dbraw/zinc/81/25/17/568812517.db2.gz XDCUUPGKRZCAKO-LJQANCHMSA-N 0 1 411.481 3.880 40 0 HHABMN CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)COc1c(C)cccc1C ZINC000257339810 568816064 /nfs/dbraw/zinc/81/60/64/568816064.db2.gz ZDIHDXVVKOMEMX-IBGZPJMESA-N 0 1 412.534 3.641 40 0 HHABMN C[C@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329031734 568973787 /nfs/dbraw/zinc/97/37/87/568973787.db2.gz QKQVVSLFTUHBFX-LLVKDONJSA-N 0 1 405.285 3.536 40 0 HHABMN CCc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329040321 568974139 /nfs/dbraw/zinc/97/41/39/568974139.db2.gz SDIOMAWXYVJPIF-SFHVURJKSA-N 0 1 419.367 3.793 40 0 HHABMN CC[C@@H](OC[C@@H](O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000022787656 569042763 /nfs/dbraw/zinc/04/27/63/569042763.db2.gz RCDXKNBTCDIRQZ-XZOQPEGZSA-N 0 1 402.966 3.986 40 0 HHABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000007605389 569338009 /nfs/dbraw/zinc/33/80/09/569338009.db2.gz VQQKQHLHGXOIOT-UHFFFAOYSA-N 0 1 401.879 3.814 40 0 HHABMN Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000008477315 569341573 /nfs/dbraw/zinc/34/15/73/569341573.db2.gz KULSSOSMYJDHQG-XSFVSMFZSA-N 0 1 404.466 3.978 40 0 HHABMN CCc1ccc(N2C(=O)C(=Cc3cc4c(c(OC)c3)OCO4)C(=O)NC2=S)cc1 ZINC000033780070 569351308 /nfs/dbraw/zinc/35/13/08/569351308.db2.gz UYNSLNNSOPBCKK-OVCLIPMQSA-N 0 1 410.451 3.658 40 0 HHABMN CCNC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635484 291249844 /nfs/dbraw/zinc/24/98/44/291249844.db2.gz DPIMMZJQQRRVLU-NNWRFLSQSA-N 0 1 417.557 3.737 40 0 biogenic,in-vitro HHABMN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000036719517 524027339 /nfs/dbraw/zinc/02/73/39/524027339.db2.gz XNXDUYBJVOOIQD-XLIONFOSSA-N 0 1 415.559 3.640 40 0 HHABMN Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1 ZINC000001760215 557285359 /nfs/dbraw/zinc/28/53/59/557285359.db2.gz JZFQFTJOYSFAGC-UHFFFAOYSA-N 0 1 418.478 3.899 40 0 HHABMN COc1cc(OC)cc(-c2n[nH]c(Sc3oc(C=O)cc3Br)n2)c1 ZINC000408554531 557444472 /nfs/dbraw/zinc/44/44/72/557444472.db2.gz SYPIYZRZQFIDFA-UHFFFAOYSA-N 0 1 410.249 3.808 40 0 HHABMN COc1ccc(C(=O)N2CC[C@H](N3CCc4ccccc4C3)C2)cc1Br ZINC000408603192 557523621 /nfs/dbraw/zinc/52/36/21/557523621.db2.gz BHXRKIJXXLVJIK-SFHVURJKSA-N 0 1 415.331 3.731 40 0 HHABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)NC(C)C ZINC000408609575 557532668 /nfs/dbraw/zinc/53/26/68/557532668.db2.gz UEHUVNMXKMXUNX-UHFFFAOYSA-N 0 1 400.422 3.953 40 0 HHABMN CCN(CC)C(=S)SNc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000006373236 557700557 /nfs/dbraw/zinc/70/05/57/557700557.db2.gz CFBXXDQXVCBMJV-UHFFFAOYSA-N 0 1 402.592 3.631 40 0 HHABMN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)ccc1OC ZINC000010008845 557853252 /nfs/dbraw/zinc/85/32/52/557853252.db2.gz ZZBZYOKQBXTGNN-UHFFFAOYSA-N 0 1 412.467 3.648 40 0 HHABMN Nc1[nH]nc2nc([C@@H]3CCCCN3C(=O)c3cc(C4CC4)on3)cc(C(F)(F)F)c12 ZINC000019743431 558263971 /nfs/dbraw/zinc/26/39/71/558263971.db2.gz LSDITLFWYQJYBP-ZDUSSCGKSA-N 0 1 420.395 3.792 40 0 HHABMN Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccccn1 ZINC000011582425 558264367 /nfs/dbraw/zinc/26/43/67/558264367.db2.gz MJQGWYFYAQTZTH-QHAWAJNXSA-N 0 1 403.413 3.580 40 0 HHABMN Cc1nc2sccn2c1CN1CCC(Cc2cc(N3CCCC3)nc(C)n2)CC1 ZINC000019758905 558275264 /nfs/dbraw/zinc/27/52/64/558275264.db2.gz QJFSJSBVEQQKBF-UHFFFAOYSA-N 0 1 410.591 3.858 40 0 HHABMN COc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000019927791 558308369 /nfs/dbraw/zinc/30/83/69/558308369.db2.gz IONHGMTYJGCRDG-UHFFFAOYSA-N 0 1 419.304 3.974 40 0 HHABMN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000020107058 558333925 /nfs/dbraw/zinc/33/39/25/558333925.db2.gz OZRYNCOYJBBQCT-INIZCTEOSA-N 0 1 411.483 3.597 40 0 HHABMN O=C(c1ccc(CN2CCCCC2)o1)N1CCC[C@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000012145136 558336242 /nfs/dbraw/zinc/33/62/42/558336242.db2.gz PRNQDKAEHRQJBA-KRWDZBQOSA-N 0 1 420.513 3.522 40 0 HHABMN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CN[C@@H](C)c3ccc4c(c3)OCCO4)cc12 ZINC000012186469 558345603 /nfs/dbraw/zinc/34/56/03/558345603.db2.gz PCDCTAZSAIISHT-HNNXBMFYSA-N 0 1 416.481 3.644 40 0 HHABMN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000023133888 558537309 /nfs/dbraw/zinc/53/73/09/558537309.db2.gz WPCAHQHSERIFCG-HNNXBMFYSA-N 0 1 418.335 3.607 40 0 HHABMN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125155 558844340 /nfs/dbraw/zinc/84/43/40/558844340.db2.gz UFTZCYGIYZTSLM-LEWJYISDSA-N 0 1 403.469 3.966 40 0 HHABMN COC[C@@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 ZINC000019234907 558854237 /nfs/dbraw/zinc/85/42/37/558854237.db2.gz XFYIZAWFGBUFNJ-MRXNPFEDSA-N 0 1 407.470 3.791 40 0 HHABMN O=C(N[C@H]1CCCOC1)c1cc(C2CCN(Cc3ccc(Cl)cc3)CC2)no1 ZINC000019333855 558869240 /nfs/dbraw/zinc/86/92/40/558869240.db2.gz YJGWZQZAKALTHL-SFHVURJKSA-N 0 1 403.910 3.616 40 0 HHABMN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019528594 558909939 /nfs/dbraw/zinc/90/99/39/558909939.db2.gz BTVVVKKXYJVNFY-RUZDIDTESA-N 0 1 416.525 3.678 40 0 HHABMN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019579240 558934923 /nfs/dbraw/zinc/93/49/23/558934923.db2.gz BIRHPJNVBLGFMK-HSZRJFAPSA-N 0 1 422.554 3.692 40 0 HHABMN COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)[nH]n2)c(OC)c1 ZINC000019662664 558953571 /nfs/dbraw/zinc/95/35/71/558953571.db2.gz OXWVNVQXPSRYHL-UHFFFAOYSA-N 0 1 407.455 3.865 40 0 HHABMN O=C(Cc1ccccn1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371342 558957826 /nfs/dbraw/zinc/95/78/26/558957826.db2.gz GABQTODQOWFYKB-INIZCTEOSA-N 0 1 410.905 3.638 40 0 HHABMN O=C(Cc1ccccn1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371343 558958056 /nfs/dbraw/zinc/95/80/56/558958056.db2.gz RQZOJLPNVBGJFR-INIZCTEOSA-N 0 1 410.905 3.638 40 0 HHABMN COc1ccc(CC(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)cc1 ZINC000072371359 558958119 /nfs/dbraw/zinc/95/81/19/558958119.db2.gz NNAFONGBKULQRL-SFHVURJKSA-N 0 1 423.488 3.738 40 0 HHABMN CCn1cc(CN2CCC[C@@H]2c2cc(-c3ccc(C(=O)NC)nc3)cc(C)n2)c(C)n1 ZINC000019691023 558960651 /nfs/dbraw/zinc/96/06/51/558960651.db2.gz TUXVDXRCCZCRMD-HSZRJFAPSA-N 0 1 418.545 3.674 40 0 HHABMN Cc1noc(CCC(=O)N2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)n1 ZINC000072375062 558963391 /nfs/dbraw/zinc/96/33/91/558963391.db2.gz ROHLOYNCMXQTGJ-SFHVURJKSA-N 0 1 420.517 3.867 40 0 HHABMN Cc1cnc(-c2nc(CN(C)C3CCCC3)ncc2C(=O)NCc2ccccc2)cn1 ZINC000019696896 558964724 /nfs/dbraw/zinc/96/47/24/558964724.db2.gz IEPCFKXTNAIFIH-UHFFFAOYSA-N 0 1 416.529 3.546 40 0 HHABMN Cc1c(CN2CCC([C@@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cnn1C ZINC000019698500 558965992 /nfs/dbraw/zinc/96/59/92/558965992.db2.gz WQMJQXWIMVXOLN-QHCPKHFHSA-N 0 1 410.537 3.685 40 0 HHABMN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)c2ccn[nH]2)n1 ZINC000072377120 558966505 /nfs/dbraw/zinc/96/65/05/558966505.db2.gz IBLYXNKAPJXAER-MRXNPFEDSA-N 0 1 416.407 3.835 40 0 HHABMN COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4cccnc4)CC3)C2=O)c1 ZINC000019703728 558967645 /nfs/dbraw/zinc/96/76/45/558967645.db2.gz YYSPAECSZYLFTE-DEOSSOPVSA-N 0 1 405.542 3.907 40 0 HHABMN CN1CCCN(C(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)CC1 ZINC000096147716 559098742 /nfs/dbraw/zinc/09/87/42/559098742.db2.gz PMNAQOYUQZAIJF-UHFFFAOYSA-N 0 1 415.541 3.800 40 0 HHABMN CC(C)CN1[C@H]2CCN(Cc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096263908 559107328 /nfs/dbraw/zinc/10/73/28/559107328.db2.gz MOGSQQTWDZTYJY-SFTDATJTSA-N 0 1 414.571 3.759 40 0 HHABMN Cc1ccc(Cl)c(OC[C@]2(O)CCCN(CC(=O)NCc3ccccc3)CC2)c1 ZINC000585274086 559118431 /nfs/dbraw/zinc/11/84/31/559118431.db2.gz QWJCKEJDKGXCOY-QHCPKHFHSA-N 0 1 416.949 3.561 40 0 HHABMN O=C1N(CCc2ccccc2)CC=CC[C@]12CN(Cc1ccc3[nH]ccc3c1)CCO2 ZINC000257217417 559282754 /nfs/dbraw/zinc/28/27/54/559282754.db2.gz CYVODJOWKGVSOL-SANMLTNESA-N 0 1 415.537 3.770 40 0 HHABMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CCC[C@@H](C)C2)c1 ZINC000005002925 560620404 /nfs/dbraw/zinc/62/04/04/560620404.db2.gz NLXLJWLFTNXLLP-KPAZRMRSSA-N 0 1 404.532 3.619 40 0 HHABMN CCc1ccc(N[C@@H]2NC(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)S2)cc1 ZINC000408785293 560641401 /nfs/dbraw/zinc/64/14/01/560641401.db2.gz YDUXNVGTRICGSH-NBSHWKJXSA-N 0 1 406.511 3.730 40 0 HHABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 ZINC000007361484 560750555 /nfs/dbraw/zinc/75/05/55/560750555.db2.gz MXMWKHOSZYZARU-UHFFFAOYSA-N 0 1 418.515 3.521 40 0 HHABMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000016681638 560861216 /nfs/dbraw/zinc/86/12/16/560861216.db2.gz JKRBZKPHYDKKTN-UHFFFAOYSA-N 0 1 415.921 3.911 40 0 HHABMN O=C(NCc1nc(-c2cccs2)no1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222596471 568519812 /nfs/dbraw/zinc/51/98/12/568519812.db2.gz JQMKVCSFPPIZPV-HNNXBMFYSA-N 0 1 416.934 3.980 40 0 HHABMN CC(C)(C)c1ccc(C[N@H+]2CCCC[C@]3(C)NC(=O)CCC[C@H]23)c(OCC(=O)[O-])c1 ZINC000257205686 568777783 /nfs/dbraw/zinc/77/77/83/568777783.db2.gz BADKTVIVFBOIPR-RDPSFJRHSA-N 0 1 416.562 3.861 40 0 HHABMN Cn1cc(C[N@@H+]2CCO[C@H](c3cccc([N-]c4nncs4)n3)C2)c2ccccc21 ZINC000257276059 568797374 /nfs/dbraw/zinc/79/73/74/568797374.db2.gz NSEYMWKRQDRJCN-IBGZPJMESA-N 0 1 406.515 3.742 40 0 HHABMN Cn1cc(C[N@H+]2CCO[C@H](c3cccc([N-]c4nncs4)n3)C2)c2ccccc21 ZINC000257276059 568797376 /nfs/dbraw/zinc/79/73/76/568797376.db2.gz NSEYMWKRQDRJCN-IBGZPJMESA-N 0 1 406.515 3.742 40 0 HHABMN CC(=O)N1CCCC[C@H]2C[N@@H+](Cc3cc(C(C)(C)C)ccc3OCC(=O)[O-])CC[C@H]21 ZINC000257299255 568804206 /nfs/dbraw/zinc/80/42/06/568804206.db2.gz RPHPSIWFCHFISF-GHTZIAJQSA-N 0 1 416.562 3.670 40 0 HHABMN Cc1cc(N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)nc(C)n1 ZINC000257304808 568805975 /nfs/dbraw/zinc/80/59/75/568805975.db2.gz SNFKNGZMBLSMCS-FQEVSTJZSA-N 0 1 413.909 3.669 40 0 HHABMN Cc1cc(Nc2cccc(CC3CCN(C(=O)c4[nH]nc5ccccc54)CC3)n2)n[nH]1 ZINC000257314739 568808707 /nfs/dbraw/zinc/80/87/07/568808707.db2.gz UYFZJZSFUZULAR-UHFFFAOYSA-N 0 1 415.501 3.828 40 0 HHABMN COc1cccc(CN2C[C@@H]3[C@@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)c1 ZINC000306128275 568891194 /nfs/dbraw/zinc/89/11/94/568891194.db2.gz GVVMNHSXINQNPB-DHIUTWEWSA-N 0 1 405.473 3.717 40 0 HHABMN COc1ccc(CN2CCC3(CC2)c2ccccc2N(CC2CC2)S3(=O)=O)cc1 ZINC000306133356 568895294 /nfs/dbraw/zinc/89/52/94/568895294.db2.gz MJHQEKIKJGJMBJ-UHFFFAOYSA-N 0 1 412.555 3.746 40 0 HHABMN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000306134830 568896831 /nfs/dbraw/zinc/89/68/31/568896831.db2.gz NZFNHQRYYVTVMS-PKTZIBPZSA-N 0 1 405.473 3.717 40 0 HHABMN Cc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329061753 568975130 /nfs/dbraw/zinc/97/51/30/568975130.db2.gz WTICXIUILXEXIW-KRWDZBQOSA-N 0 1 405.340 3.539 40 0 HHABMN Oc1ccc2c3c1O[C@@H]1c4oc5ccccc5c4C[C@]4(O)[C@H](C2)[N@@H+](CC2CC2)CC[C@@]314 ZINC000584577922 569048665 /nfs/dbraw/zinc/04/86/65/569048665.db2.gz ZHVWWEYETMPAMX-CCOBIDFTSA-N 0 1 415.489 3.838 40 0 HHABMN CCOc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000007360378 569337216 /nfs/dbraw/zinc/33/72/16/569337216.db2.gz YQGOAXLIBQHCNX-UHFFFAOYSA-N 0 1 402.516 3.821 40 0 HHABMN O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(Cc2ccccc2F)CC1 ZINC000009063499 569342399 /nfs/dbraw/zinc/34/23/99/569342399.db2.gz IUECLNYVDNUUNU-UHFFFAOYSA-N 0 1 409.505 3.912 40 0 HHABMN CC1=NC(=S)N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1C(=O)OC(C)C ZINC000011549671 569344587 /nfs/dbraw/zinc/34/45/87/569344587.db2.gz RGHADFRHKBQGJN-KRWDZBQOSA-N 0 1 401.444 3.599 40 0 HHABMN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000012157778 569344617 /nfs/dbraw/zinc/34/46/17/569344617.db2.gz DZBKPGVPPVYZQS-GHTZIAJQSA-N 0 1 422.554 3.930 40 0 HHABMN CC(C)c1ccc(OCc2cc([C@@H]3CCN(Cc4cnc(N(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704497 569347629 /nfs/dbraw/zinc/34/76/29/569347629.db2.gz INXKTKJRFAHERJ-HXUWFJFHSA-N 0 1 420.561 3.958 40 0 HHABMN COc1cc(-c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]2)cc(OC)c1OC ZINC000064875498 569390517 /nfs/dbraw/zinc/39/05/17/569390517.db2.gz FRSGGECZUTUMHS-UHFFFAOYSA-N 0 1 418.494 3.612 40 0 HHABMN CN(C)CCNc1nc(-c2ccccc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000328984125 571304650 /nfs/dbraw/zinc/30/46/50/571304650.db2.gz HLPRTPWTRANRSE-UHFFFAOYSA-N 0 1 420.414 4.113 40 0 HHABMN COc1ccc(OC)c(S(=O)(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)c1 ZINC000014231648 962451142 /nfs/dbraw/zinc/45/11/42/962451142.db2.gz FATNOHVGVRFOAC-UHFFFAOYSA-N 0 1 419.478 3.505 40 0 HHABMN O=S(=O)(Nc1nn(Cc2ccccc2F)cc1Br)c1cccs1 ZINC000014234209 962452165 /nfs/dbraw/zinc/45/21/65/962452165.db2.gz AWZKQSFEXYFEML-UHFFFAOYSA-N 0 1 416.297 3.695 40 0 HHABMN c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049169766 291260300 /nfs/dbraw/zinc/26/03/00/291260300.db2.gz VTXNROARQHTBTM-INIZCTEOSA-N 0 1 402.454 3.860 40 0 biogenic,in-vitro HHABMN CCc1cccc([C@H](C)CC)c1NC(=O)C[C@H]1C(=O)Nc2ccccc2S1(=O)=O ZINC000001622806 557276978 /nfs/dbraw/zinc/27/69/78/557276978.db2.gz RTYTZKFPQZDHRQ-KUHUBIRLSA-N 0 1 414.527 3.886 40 0 HHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)c1 ZINC000408547348 557370255 /nfs/dbraw/zinc/37/02/55/557370255.db2.gz IQFRUBDCFZUXLZ-UHFFFAOYSA-N 0 1 415.902 3.774 40 0 HHABMN Cc1nonc1CN(C)C(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748212 558267467 /nfs/dbraw/zinc/26/74/67/558267467.db2.gz XUSKIFBGZUSPDE-UHFFFAOYSA-N 0 1 410.440 3.658 40 0 HHABMN Cc1nc(C2CCN(Cc3ccccn3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019752974 558272199 /nfs/dbraw/zinc/27/21/99/558272199.db2.gz YFKYHOHIJXVVME-UHFFFAOYSA-N 0 1 414.557 3.907 40 0 HHABMN CC(C)c1ncc(CN2CCC(c3cc(N)n4nc(C(C)(C)C)cc4n3)CC2)cn1 ZINC000012120876 558330587 /nfs/dbraw/zinc/33/05/87/558330587.db2.gz MKLXGKYURMFQGK-UHFFFAOYSA-N 0 1 407.566 3.902 40 0 HHABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000015437498 558740070 /nfs/dbraw/zinc/74/00/70/558740070.db2.gz ISJBIRHGELKYEG-UHFFFAOYSA-N 0 1 412.467 3.757 40 0 HHABMN Fc1ccc(CN(CCCn2ccnc2)Cc2cnc(N3CCCCC3)nc2)cc1 ZINC000036740146 558801591 /nfs/dbraw/zinc/80/15/91/558801591.db2.gz HRLOTFJGRVTQLX-UHFFFAOYSA-N 0 1 408.525 3.895 40 0 HHABMN O=C(CC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014903 558836997 /nfs/dbraw/zinc/83/69/97/558836997.db2.gz WGAMTHSNSZZPBX-SFHVURJKSA-N 0 1 412.578 3.769 40 0 HHABMN Cc1ccc(CN2CCN(c3c(F)cccc3[C@H](O)c3nccn3C)CC2)cc1C ZINC000019214000 558849505 /nfs/dbraw/zinc/84/95/05/558849505.db2.gz PAWRPWPAPUISDI-QHCPKHFHSA-N 0 1 408.521 3.580 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000019214182 558849681 /nfs/dbraw/zinc/84/96/81/558849681.db2.gz KJZNWLQBONPHRN-HXOBKFHXSA-N 0 1 405.498 3.977 40 0 HHABMN O=C(C1CCCC1)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCCC1)CC3 ZINC000019292130 558864299 /nfs/dbraw/zinc/86/42/99/558864299.db2.gz DDYPWIFKQRGTFP-OAQYLSRUSA-N 0 1 423.561 3.589 40 0 HHABMN O=C(N[C@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1ccccn1 ZINC000019348877 558874591 /nfs/dbraw/zinc/87/45/91/558874591.db2.gz MQCNBXANYJQPSU-QHCPKHFHSA-N 0 1 404.489 3.999 40 0 HHABMN COc1ccccc1CN[C@@H](c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1)C(C)C ZINC000019445482 558885481 /nfs/dbraw/zinc/88/54/81/558885481.db2.gz CVCUSCPKNLZQNU-HSZRJFAPSA-N 0 1 403.486 3.992 40 0 HHABMN COc1ncc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cn1 ZINC000019450348 558888898 /nfs/dbraw/zinc/88/88/98/558888898.db2.gz VMUHEFHVNXCRGH-UHFFFAOYSA-N 0 1 419.533 3.537 40 0 HHABMN CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019499869 558898151 /nfs/dbraw/zinc/89/81/51/558898151.db2.gz IISGUXOPNHOGQP-CQKVTUKBSA-N 0 1 400.567 3.829 40 0 HHABMN CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019499869 558898154 /nfs/dbraw/zinc/89/81/54/558898154.db2.gz IISGUXOPNHOGQP-CQKVTUKBSA-N 0 1 400.567 3.829 40 0 HHABMN CCC(CC)C(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019500239 558898345 /nfs/dbraw/zinc/89/83/45/558898345.db2.gz RNHPLPGPFFKQFT-UHFFFAOYSA-N 0 1 400.563 3.857 40 0 HHABMN CCn1ncc(CN2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)c1C ZINC000019523988 558905321 /nfs/dbraw/zinc/90/53/21/558905321.db2.gz PKNKVOGOXMEGQN-RBBKRZOGSA-N 0 1 402.489 3.518 40 0 HHABMN COc1ccc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)c(OC)c1OC ZINC000019552743 558916080 /nfs/dbraw/zinc/91/60/80/558916080.db2.gz GLGKKOOQIZAQBX-UHFFFAOYSA-N 0 1 410.474 3.537 40 0 HHABMN COc1ccc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)c(OC)c1OC ZINC000019552740 558916094 /nfs/dbraw/zinc/91/60/94/558916094.db2.gz REHLYFMWTYJVEM-UHFFFAOYSA-N 0 1 410.474 3.537 40 0 HHABMN CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019579243 558934883 /nfs/dbraw/zinc/93/48/83/558934883.db2.gz BIRHPJNVBLGFMK-QHCPKHFHSA-N 0 1 422.554 3.692 40 0 HHABMN Cc1oc(C(=O)N2CCN(c3nsc4ccccc43)CC2)cc1CN1CCCC1 ZINC000019582496 558937602 /nfs/dbraw/zinc/93/76/02/558937602.db2.gz BMZGKXCJJXQVJZ-UHFFFAOYSA-N 0 1 410.543 3.756 40 0 HHABMN Cc1cc(CN2CCOCC2)oc1C(=O)N1CCCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072346785 558943523 /nfs/dbraw/zinc/94/35/23/558943523.db2.gz WPPNSSKUYPMKQN-NRFANRHFSA-N 0 1 422.529 3.972 40 0 HHABMN COc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3C)[nH]n2)cc1 ZINC000019660132 558951484 /nfs/dbraw/zinc/95/14/84/558951484.db2.gz UKISBDLSAZMYEZ-UHFFFAOYSA-N 0 1 404.470 3.882 40 0 HHABMN O=C(CN1CCCC1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358999 558954549 /nfs/dbraw/zinc/95/45/49/558954549.db2.gz CAJOFHHYVPGMIS-QGZVFWFLSA-N 0 1 418.463 3.964 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000019665353 558955620 /nfs/dbraw/zinc/95/56/20/558955620.db2.gz YVNWPOYWOHPLJK-JOCHJYFZSA-N 0 1 421.888 3.665 40 0 HHABMN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)Cc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000019665353 558955621 /nfs/dbraw/zinc/95/56/21/558955621.db2.gz YVNWPOYWOHPLJK-JOCHJYFZSA-N 0 1 421.888 3.665 40 0 HHABMN FC(F)(F)c1cccc(OCCc2cc([C@H]3CCN(c4ncccn4)C3)[nH]n2)c1 ZINC000072371390 558958149 /nfs/dbraw/zinc/95/81/49/558958149.db2.gz FRNONJHCXQWCKX-AWEZNQCLSA-N 0 1 403.408 3.834 40 0 HHABMN FC(F)(F)c1ccc(OCCc2cc([C@@H]3CCN(c4ncccn4)C3)[nH]n2)cc1 ZINC000072371392 558958183 /nfs/dbraw/zinc/95/81/83/558958183.db2.gz SMMQMNOCTJMMGP-CQSZACIVSA-N 0 1 403.408 3.834 40 0 HHABMN CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)C2CCCCC2)n1 ZINC000019697388 558964872 /nfs/dbraw/zinc/96/48/72/558964872.db2.gz QCRCJXOBEOOFBV-MRXNPFEDSA-N 0 1 411.525 3.942 40 0 HHABMN Cc1cc(Nc2cccc([C@H]3CCCN(C(=O)c4cc(C(F)(F)F)[nH]n4)C3)n2)n[nH]1 ZINC000072382896 558968910 /nfs/dbraw/zinc/96/89/10/558968910.db2.gz FRUMHAXIGHHVQY-LBPRGKRZSA-N 0 1 419.411 3.618 40 0 HHABMN CC1(C)Cc2cc(CN3CCC[C@@H]3c3ccc(C(=O)N4CCOCC4)cn3)ccc2O1 ZINC000019708753 558971270 /nfs/dbraw/zinc/97/12/70/558971270.db2.gz QOUJKLDDNDZBTG-JOCHJYFZSA-N 0 1 421.541 3.605 40 0 HHABMN O=S(=O)(NC1CC2(C1)CCN(Cc1cc(F)ccc1F)CC2)c1ccccc1 ZINC000585103341 559026552 /nfs/dbraw/zinc/02/65/52/559026552.db2.gz OOOUUMIKHGNYEJ-UHFFFAOYSA-N 0 1 406.498 3.688 40 0 HHABMN CN1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)Cc3ccccc3Cl)CC4)c2C1 ZINC000585110361 559030179 /nfs/dbraw/zinc/03/01/79/559030179.db2.gz KDOGZCFRONBABI-UHFFFAOYSA-N 0 1 420.944 3.845 40 0 HHABMN CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(Cc2cccc(C)n2)C3)cc1 ZINC000096216223 559101878 /nfs/dbraw/zinc/10/18/78/559101878.db2.gz WTMKYXIVJDFEBR-QHCPKHFHSA-N 0 1 413.587 3.629 40 0 HHABMN CO[C@]1(COc2ccccc2F)CCCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272305 559118088 /nfs/dbraw/zinc/11/80/88/559118088.db2.gz HQBPUSULHDCPRS-HSZRJFAPSA-N 0 1 418.484 3.531 40 0 HHABMN COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000006553319 559209617 /nfs/dbraw/zinc/20/96/17/559209617.db2.gz RGLODYJAIDVJIY-UHFFFAOYSA-N 0 1 410.923 3.524 40 0 HHABMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)c1 ZINC000014155591 560840141 /nfs/dbraw/zinc/84/01/41/560840141.db2.gz ZDUSHKSSUYZNIY-QGZVFWFLSA-N 0 1 422.934 3.666 40 0 HHABMN CN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3)cc2)CC1 ZINC000017090173 560864944 /nfs/dbraw/zinc/86/49/44/560864944.db2.gz YMWGFYHOUSQDJG-NYYWCZLTSA-N 0 1 414.962 3.618 40 0 HHABMN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 ZINC000006733511 568458728 /nfs/dbraw/zinc/45/87/28/568458728.db2.gz ZVKBSENSURYYII-XWGVYQGASA-N 0 1 400.563 3.812 40 0 HHABMN COc1cccc(OCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000224533107 568583878 /nfs/dbraw/zinc/58/38/78/568583878.db2.gz SXQXWSOPYGDHLV-UHFFFAOYSA-N 0 1 402.922 3.756 40 0 HHABMN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c1 ZINC000225335796 568630193 /nfs/dbraw/zinc/63/01/93/568630193.db2.gz DCTSRRKSMYWDPK-UHFFFAOYSA-N 0 1 403.500 3.860 40 0 HHABMN CSc1nnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)s1 ZINC000225342675 568630594 /nfs/dbraw/zinc/63/05/94/568630594.db2.gz SKQDVAQDPPIIKB-UHFFFAOYSA-N 0 1 420.541 3.622 40 0 HHABMN CCC(CC)C(=O)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000257217291 568781029 /nfs/dbraw/zinc/78/10/29/568781029.db2.gz CYJKRGPIVFFRSN-UHFFFAOYSA-N 0 1 408.546 3.750 40 0 HHABMN CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3[nH]nc4ccccc43)CCO2)n1 ZINC000257267673 568795012 /nfs/dbraw/zinc/79/50/12/568795012.db2.gz MIHHJFJXFCKQCD-FQEVSTJZSA-N 0 1 417.469 3.697 40 0 HHABMN COc1ccccc1CCC(=O)N1CC[C@@H](c2cc(Nc3ncccn3)cc(C)n2)C1 ZINC000257279974 568798456 /nfs/dbraw/zinc/79/84/56/568798456.db2.gz OIYGNVBNHNLBPQ-LJQANCHMSA-N 0 1 417.513 3.881 40 0 HHABMN COc1cccc(OCCc2cc([C@@H]3CN(Cc4cccc(C)c4)CCO3)n[nH]2)c1 ZINC000257283181 568799263 /nfs/dbraw/zinc/79/92/63/568799263.db2.gz OXCAFXJFFHJHSM-DEOSSOPVSA-N 0 1 407.514 3.922 40 0 HHABMN O=C(CC1CCCC1)N1CCO[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000257290807 568801661 /nfs/dbraw/zinc/80/16/61/568801661.db2.gz QEKAGIWFZRDSHF-OAQYLSRUSA-N 0 1 419.472 3.790 40 0 HHABMN Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000257293253 568802475 /nfs/dbraw/zinc/80/24/75/568802475.db2.gz QOSRBPGVFOGQKI-UHFFFAOYSA-N 0 1 420.492 3.881 40 0 HHABMN O=C1CO[C@]2(CN1Cc1ccccc1)CCCN(Cc1cccc(F)c1F)CC2 ZINC000257293144 568802482 /nfs/dbraw/zinc/80/24/82/568802482.db2.gz QOIAYKAOJCSLQI-HSZRJFAPSA-N 0 1 400.469 3.749 40 0 HHABMN CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@@]3(C)[C@H]2CCCN3C(C)=O)n[nH]1 ZINC000257300273 568804420 /nfs/dbraw/zinc/80/44/20/568804420.db2.gz RTRZHIABVGTDCB-VWNXMTODSA-N 0 1 424.545 3.871 40 0 HHABMN O[C@@H](COc1ccc(Cl)cc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026780732 568831384 /nfs/dbraw/zinc/83/13/84/568831384.db2.gz MKXJSHZPYZGLHI-GOSISDBHSA-N 0 1 414.855 3.921 40 0 HHABMN COc1ccccc1CN1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccc(F)cc1 ZINC000306144035 568905381 /nfs/dbraw/zinc/90/53/81/568905381.db2.gz YTZGROZNZXNVHI-FCHUYYIVSA-N 0 1 405.473 3.717 40 0 HHABMN Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000328957907 568969450 /nfs/dbraw/zinc/96/94/50/568969450.db2.gz AMCSZOZFVINVLE-KRWDZBQOSA-N 0 1 410.440 3.675 40 0 HHABMN Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329007558 568972397 /nfs/dbraw/zinc/97/23/97/568972397.db2.gz LKMNANLIPAYTTH-KRWDZBQOSA-N 0 1 410.440 3.675 40 0 HHABMN CC(C)CCn1c2n[nH]c(=S)n2c2cc(C(=O)NC3CCCCC3)ccc2c1=O ZINC000013363180 569326764 /nfs/dbraw/zinc/32/67/64/569326764.db2.gz NBIAOMXZXLYHPD-UHFFFAOYSA-N 0 1 413.547 3.815 40 0 HHABMN COc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000006230099 569330115 /nfs/dbraw/zinc/33/01/15/569330115.db2.gz NWNIVGGWOHHAQP-UHFFFAOYSA-N 0 1 412.467 3.757 40 0 HHABMN CC(C)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000006327438 569331080 /nfs/dbraw/zinc/33/10/80/569331080.db2.gz YFSZIBCGUWNOAE-UDWIEESQSA-N 0 1 401.466 3.959 40 0 HHABMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000007071371 569336777 /nfs/dbraw/zinc/33/67/77/569336777.db2.gz QXHMICBQZMGNTL-INQVIGDZSA-N 0 1 410.495 3.704 40 0 HHABMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C(C)(C)C)c2C)C(=O)NC1=S ZINC000008334048 569340084 /nfs/dbraw/zinc/34/00/84/569340084.db2.gz STFNPYOFHUTWFV-FOWTUZBSSA-N 0 1 411.527 3.700 40 0 HHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000008477313 569341504 /nfs/dbraw/zinc/34/15/04/569341504.db2.gz PETIRNSDYTYEGT-CPNJWEJPSA-N 0 1 408.429 3.809 40 0 HHABMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OC(C)C ZINC000008477378 569341522 /nfs/dbraw/zinc/34/15/22/569341522.db2.gz XFXVBCRUAGTXLR-RIYZIHGNSA-N 0 1 406.866 3.540 40 0 HHABMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OC(C)C ZINC000008477384 569341581 /nfs/dbraw/zinc/34/15/81/569341581.db2.gz VUTSOFCSPPSOID-OQLLNIDSSA-N 0 1 420.893 3.930 40 0 HHABMN C=C1N=C(SC(C)C)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000033785016 569351397 /nfs/dbraw/zinc/35/13/97/569351397.db2.gz ROUUXRFTISVOAO-KRWDZBQOSA-N 0 1 408.520 3.691 40 0 HHABMN Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1 ZINC000034375693 571313602 /nfs/dbraw/zinc/31/36/02/571313602.db2.gz WYJCYXOCHXWTHG-UHFFFAOYSA-N 0 1 418.541 3.734 40 0 in-man HHABMN Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1 ZINC000014230919 962452127 /nfs/dbraw/zinc/45/21/27/962452127.db2.gz MFUIFQQWUJQQLB-UHFFFAOYSA-N 0 1 406.305 3.803 40 0 HHABMN Cc1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccc(F)cc3)n2)c1 ZINC000015675876 291257379 /nfs/dbraw/zinc/25/73/79/291257379.db2.gz ZITINFDJJOIPHL-IBGZPJMESA-N 0 1 403.417 3.847 40 0 biogenic,in-vitro HHABMN Cn1nc(-c2ccccc2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)NC1CCCCC1 ZINC000008635339 291257924 /nfs/dbraw/zinc/25/79/24/291257924.db2.gz LRQZDOXBMAHDBC-NNWRFLSQSA-N 0 1 421.589 3.897 40 0 biogenic,in-vitro HHABMN O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2ccccc2Cl)CC1 ZINC000007498861 132324734 /nfs/dbraw/zinc/32/47/34/132324734.db2.gz QQIMPMKARDNOLW-UHFFFAOYSA-N 0 1 411.933 3.929 40 0 HHABMN O=C(CN1CCCC1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359682 526731827 /nfs/dbraw/zinc/73/18/27/526731827.db2.gz JKMULUKKLONUGN-KRWDZBQOSA-N 0 1 418.463 3.964 40 0 HHABMN O=C(Nc1ccc2ccccc2c1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 ZINC000408529277 557294642 /nfs/dbraw/zinc/29/46/42/557294642.db2.gz GTJHVJWSXZMNKT-UHFFFAOYSA-N 0 1 404.451 3.683 40 0 HHABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 ZINC000408594228 557511857 /nfs/dbraw/zinc/51/18/57/557511857.db2.gz PFZNOLHQGMPHNS-UHFFFAOYSA-N 0 1 410.923 3.844 40 0 HHABMN C[C@@H](NC(=O)CC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)c1ccccc1 ZINC000019748612 558267967 /nfs/dbraw/zinc/26/79/67/558267967.db2.gz HSGGJJUQWBAQCL-LJQANCHMSA-N 0 1 407.562 3.556 40 0 HHABMN Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766362 558278853 /nfs/dbraw/zinc/27/88/53/558278853.db2.gz OIKNLGPTBFFIFD-FQEVSTJZSA-N 0 1 419.504 3.629 40 0 HHABMN C[C@]12CN(Cc3cccc(OC4CCCC4)c3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 ZINC000012231802 558358043 /nfs/dbraw/zinc/35/80/43/558358043.db2.gz XOPQFGOGUZLCPI-OFVILXPXSA-N 0 1 419.525 3.581 40 0 HHABMN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@@H]1CCCN(Cc3ccccc3F)C1)O2 ZINC000012407696 558398421 /nfs/dbraw/zinc/39/84/21/558398421.db2.gz CVVADQOJEXTCJE-NTKDMRAZSA-N 0 1 412.505 3.856 40 0 HHABMN O=C(Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCCC1 ZINC000013848699 558597810 /nfs/dbraw/zinc/59/78/10/558597810.db2.gz OXQPRFIPEJCRPT-UHFFFAOYSA-N 0 1 413.326 3.959 40 0 HHABMN Cc1cccc(CC(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1 ZINC000019234855 558854012 /nfs/dbraw/zinc/85/40/12/558854012.db2.gz BEMCRKUTZXCELR-UHFFFAOYSA-N 0 1 420.532 3.858 40 0 HHABMN COc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[nH]c(C)n2)cc1OC ZINC000019285163 558859701 /nfs/dbraw/zinc/85/97/01/558859701.db2.gz JRWQONSBUASZPQ-FQEVSTJZSA-N 0 1 418.497 3.650 40 0 HHABMN CCC[C@H](C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1)n1nc(C)cc1C ZINC000019501799 558899926 /nfs/dbraw/zinc/89/99/26/558899926.db2.gz BDXGKYKPAPPDLQ-IRLDBZIGSA-N 0 1 407.518 3.747 40 0 HHABMN CCC[C@@H](C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1)n1nc(C)cc1C ZINC000019501798 558899981 /nfs/dbraw/zinc/89/99/81/558899981.db2.gz BDXGKYKPAPPDLQ-UNMCSNQZSA-N 0 1 407.518 3.747 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019503201 558900392 /nfs/dbraw/zinc/90/03/92/558900392.db2.gz HRFKRLPXOMRKRQ-NRFANRHFSA-N 0 1 416.525 3.630 40 0 HHABMN CCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000019527309 558908209 /nfs/dbraw/zinc/90/82/09/558908209.db2.gz GBACOTUGDDDDAP-QFIPXVFZSA-N 0 1 416.525 3.548 40 0 HHABMN CCN1CCN(Cc2cccnc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527450 558908746 /nfs/dbraw/zinc/90/87/46/558908746.db2.gz NCAMEOAJQGRLBC-XMMPIXPASA-N 0 1 400.526 3.667 40 0 HHABMN CCN1CCN(Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527713 558908924 /nfs/dbraw/zinc/90/89/24/558908924.db2.gz UYSLGQQFNWYFON-QHCPKHFHSA-N 0 1 414.553 3.975 40 0 HHABMN COc1ccc(OC)c(CC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2onc(C)c2C)c1 ZINC000019557859 558919800 /nfs/dbraw/zinc/91/98/00/558919800.db2.gz LKBYKNLAQBTFCV-IBGZPJMESA-N 0 1 424.501 3.995 40 0 HHABMN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(-c2ccccc2OC)[nH]n1)CC3 ZINC000019563325 558923436 /nfs/dbraw/zinc/92/34/36/558923436.db2.gz ALBSAMYGZSYAIR-UHFFFAOYSA-N 0 1 402.454 3.774 40 0 HHABMN COc1cccc2ccc(CN3CCC[C@@H](c4cc(C(=O)NC5CC5)on4)C3)nc21 ZINC000019568445 558927501 /nfs/dbraw/zinc/92/75/01/558927501.db2.gz UPWUWHQVPNJQQB-MRXNPFEDSA-N 0 1 406.486 3.503 40 0 HHABMN Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC000019570321 558929172 /nfs/dbraw/zinc/92/91/72/558929172.db2.gz PMWBJMHOSNCOGU-KRWDZBQOSA-N 0 1 405.502 3.991 40 0 HHABMN COc1ccc(CN2CCC(c3cc(N(C)C)nc(-c4cnccn4)n3)CC2)c(F)c1 ZINC000019584756 558938806 /nfs/dbraw/zinc/93/88/06/558938806.db2.gz WYRSXOKHSOQPPD-UHFFFAOYSA-N 0 1 422.508 3.527 40 0 HHABMN CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(Cc2cccc(C)n2)C3)cc1 ZINC000096216228 559101819 /nfs/dbraw/zinc/10/18/19/559101819.db2.gz WTMKYXIVJDFEBR-HSZRJFAPSA-N 0 1 413.587 3.629 40 0 HHABMN COc1cccc(CN2CCc3[nH]c4cc(-c5cc(C)oc5C)nn4c(=O)c3C2)c1 ZINC000100755789 559139772 /nfs/dbraw/zinc/13/97/72/559139772.db2.gz DVEVLJTVGFAWFL-UHFFFAOYSA-N 0 1 404.470 3.879 40 0 HHABMN O=C(NCCc1cnc[nH]1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257343793 559285161 /nfs/dbraw/zinc/28/51/61/559285161.db2.gz ZULFRTUUZNIAFM-UHFFFAOYSA-N 0 1 407.489 3.914 40 0 HHABMN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 ZINC000002409930 560584917 /nfs/dbraw/zinc/58/49/17/560584917.db2.gz ZVKBSENSURYYII-OEMFJLHTSA-N 0 1 400.563 3.812 40 0 HHABMN CCc1ccc(N[C@@H]2NC(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)S2)cc1 ZINC000408785291 560641394 /nfs/dbraw/zinc/64/13/94/560641394.db2.gz YDUXNVGTRICGSH-GEYPENSJSA-N 0 1 406.511 3.730 40 0 HHABMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1OC ZINC000409380930 560718711 /nfs/dbraw/zinc/71/87/11/560718711.db2.gz KCMYUJLSGHMEPM-UHFFFAOYSA-N 0 1 412.467 3.757 40 0 HHABMN COc1ccccc1[C@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000102727812 560731745 /nfs/dbraw/zinc/73/17/45/560731745.db2.gz DVRPZJPCGJGFTH-BHIFYINESA-N 0 1 418.424 3.885 40 0 HHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)c1 ZINC000006416165 560742010 /nfs/dbraw/zinc/74/20/10/560742010.db2.gz MDVOMCPGGHYETE-UHFFFAOYSA-N 0 1 415.902 3.774 40 0 HHABMN COC(=O)c1cccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)c1 ZINC000020765314 568458874 /nfs/dbraw/zinc/45/88/74/568458874.db2.gz RDJRNGYYBRZNNW-UHFFFAOYSA-N 0 1 420.288 3.843 40 0 HHABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2Cl)s1 ZINC000223999830 568565809 /nfs/dbraw/zinc/56/58/09/568565809.db2.gz CZSOQLUBXZSXSL-UHFFFAOYSA-N 0 1 408.892 3.553 40 0 HHABMN O=C(c1ccccc1)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257250748 568790483 /nfs/dbraw/zinc/79/04/83/568790483.db2.gz JNWIJIQNPHVYHW-NRFANRHFSA-N 0 1 411.889 3.898 40 0 HHABMN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)c3[nH]nc4ccccc43)CCO2)n1 ZINC000257267674 568795055 /nfs/dbraw/zinc/79/50/55/568795055.db2.gz MIHHJFJXFCKQCD-HXUWFJFHSA-N 0 1 417.469 3.697 40 0 HHABMN Cc1cc(N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)nc(C)n1 ZINC000257304809 568805960 /nfs/dbraw/zinc/80/59/60/568805960.db2.gz SNFKNGZMBLSMCS-HXUWFJFHSA-N 0 1 413.909 3.669 40 0 HHABMN c1cnc2c(c1)cccc2C[C@@H]1COCCN(Cc2ccnc(N3CCCCC3)n2)C1 ZINC000257313996 568808403 /nfs/dbraw/zinc/80/84/03/568808403.db2.gz UUYWLFGBPYAGMF-FQEVSTJZSA-N 0 1 417.557 3.706 40 0 HHABMN Cc1cc(C)nc(N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)n1 ZINC000257324017 568811504 /nfs/dbraw/zinc/81/15/04/568811504.db2.gz WMVCWULYNMWEEQ-FQEVSTJZSA-N 0 1 413.909 3.669 40 0 HHABMN Clc1ccccc1CN1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140399 568902284 /nfs/dbraw/zinc/90/22/84/568902284.db2.gz USGZPIWYKQYZGW-SFHVURJKSA-N 0 1 411.937 3.599 40 0 HHABMN CC(C)c1nc(NCCCO)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000328992470 568971511 /nfs/dbraw/zinc/97/15/11/568971511.db2.gz IVHISLHDPLTVSE-UHFFFAOYSA-N 0 1 410.440 3.856 40 0 HHABMN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccccc3F)CC1)C2 ZINC000035075032 569027797 /nfs/dbraw/zinc/02/77/97/569027797.db2.gz FCZWGBJWUCDVIA-PDXXHEQOSA-N 0 1 404.570 3.930 40 0 HHABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000006417024 569332116 /nfs/dbraw/zinc/33/21/16/569332116.db2.gz XUHTZZFVWDSUAR-UHFFFAOYSA-N 0 1 410.587 3.863 40 0 HHABMN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000007071586 569336794 /nfs/dbraw/zinc/33/67/94/569336794.db2.gz PHRAEJKSCXPFHG-LBFFYKKLSA-N 0 1 410.495 3.704 40 0 HHABMN CSc1nnc([C@@H]2CCCN2C(=O)[C@H](c2ccccc2)N2CCCC[C@@H]2C)n1C ZINC000019496310 569345596 /nfs/dbraw/zinc/34/55/96/569345596.db2.gz HBZOVRZEMGDEEB-WDSOQIARSA-N 0 1 413.591 3.816 40 0 HHABMN Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)CN(Cc1cccc3ncccc13)C2 ZINC000019701571 569347321 /nfs/dbraw/zinc/34/73/21/569347321.db2.gz NMZLGZZMBRWVFN-IBGZPJMESA-N 0 1 415.472 3.846 40 0 HHABMN O=C(c1ccccn1)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019705035 569347848 /nfs/dbraw/zinc/34/78/48/569347848.db2.gz SAAWXLJZGKOLDN-INIZCTEOSA-N 0 1 416.460 3.734 40 0 HHABMN Cn1nc(-c2ccco2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 ZINC000008636256 1072486705 /nfs/dbraw/zinc/48/67/05/1072486705.db2.gz OTPHLWFMKFMCKD-UHOSZYNNSA-N 0 1 421.570 3.845 40 0 biogenic,in-vitro HHABMN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)C1CCN(c3nc(Cl)nc4[nH]cnc43)CC1)C2 ZINC000008992840 132334620 /nfs/dbraw/zinc/33/46/20/132334620.db2.gz KEXGBOHKOIGBDP-QKKBWIMNSA-N 0 1 416.957 3.650 40 0 HHABMN CC(C)c1ccc(OCCOC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000040373334 519838161 /nfs/dbraw/zinc/83/81/61/519838161.db2.gz ALGAETSKIXJWHU-HSZRJFAPSA-N 0 1 416.537 3.528 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1N1CCCC1=O ZINC000020458698 525089727 /nfs/dbraw/zinc/08/97/27/525089727.db2.gz GUJITHSVRSLDLQ-UHFFFAOYSA-N 0 1 414.405 3.642 40 0 HHABMN Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000040947009 525648408 /nfs/dbraw/zinc/64/84/08/525648408.db2.gz JEZFURYNWROSPH-UHFFFAOYSA-N 0 1 413.524 3.922 40 0 HHABMN Cc1nc(-c2cccnc2)sc1C(=O)NCCSc1nc(-c2ccccc2)n[nH]1 ZINC000225859119 526611638 /nfs/dbraw/zinc/61/16/38/526611638.db2.gz HGAGMYFVBZDSMN-UHFFFAOYSA-N 0 1 422.539 3.821 40 0 HHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC000408590564 557501564 /nfs/dbraw/zinc/50/15/64/557501564.db2.gz JUCXLLSQCVAULI-UHFFFAOYSA-N 0 1 403.504 3.822 40 0 HHABMN COc1ccc(NC(=O)CN2CCC(c3nc4ccc(C)cc4[nH]3)CC2)c(OC)c1 ZINC000035312022 557687805 /nfs/dbraw/zinc/68/78/05/557687805.db2.gz UDZIKMSXFAYQSB-UHFFFAOYSA-N 0 1 408.502 3.707 40 0 HHABMN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)CN3CCCC3)cc(C(F)(F)F)c12 ZINC000019742360 558262742 /nfs/dbraw/zinc/26/27/42/558262742.db2.gz KLHCQUKOTBGNKF-HNNXBMFYSA-N 0 1 424.471 3.556 40 0 HHABMN COCCOc1cc(CN2Cc3ccccc3OC3(CCOCC3)C2)ccc1OC ZINC000012122182 558330780 /nfs/dbraw/zinc/33/07/80/558330780.db2.gz XFRYMHYLDYHCFI-UHFFFAOYSA-N 0 1 413.514 3.664 40 0 HHABMN CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccccc2F)C3)c(OCC)n1 ZINC000012181045 558342700 /nfs/dbraw/zinc/34/27/00/558342700.db2.gz OMENZMXUVDRPHF-NHJWOMDBSA-N 0 1 415.509 3.533 40 0 HHABMN CCC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000012365814 558387911 /nfs/dbraw/zinc/38/79/11/558387911.db2.gz HGXGWBLBQOCZFZ-UZLBHIALSA-N 0 1 403.548 3.640 40 0 HHABMN Cc1nnc(SCc2cc(=O)[n-]c(NC(=[NH2+])Nc3ccc(C(C)C)cc3)n2)s1 ZINC000013634046 558553008 /nfs/dbraw/zinc/55/30/08/558553008.db2.gz MCMMDSXXNRYIAP-UHFFFAOYSA-N 0 1 415.548 3.804 40 0 HHABMN Cc1ccc2nc(C3CCN(CC(=O)Nc4nnc(C5CCC5)s4)CC3)[nH]c2c1 ZINC000036752791 558803004 /nfs/dbraw/zinc/80/30/04/558803004.db2.gz BDMUERUELAVMDA-UHFFFAOYSA-N 0 1 410.547 3.808 40 0 HHABMN Cc1cc2c(cc1C)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125159 558844369 /nfs/dbraw/zinc/84/43/69/558844369.db2.gz UFTZCYGIYZTSLM-SFTDATJTSA-N 0 1 403.469 3.966 40 0 HHABMN Cc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cc1C ZINC000019213998 558849467 /nfs/dbraw/zinc/84/94/67/558849467.db2.gz PAWRPWPAPUISDI-HSZRJFAPSA-N 0 1 408.521 3.580 40 0 HHABMN CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2cccc(C)c2)CCO1 ZINC000019235044 558854131 /nfs/dbraw/zinc/85/41/31/558854131.db2.gz CWCQCFWGISCEPV-SANMLTNESA-N 0 1 415.537 3.617 40 0 HHABMN CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccc(C)c2)CCO1 ZINC000019235046 558854157 /nfs/dbraw/zinc/85/41/57/558854157.db2.gz QCCTZVFHOQVKCB-SANMLTNESA-N 0 1 415.537 3.617 40 0 HHABMN CC(C)c1nc2ccccc2n1C[C@H](C)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000019453875 558891250 /nfs/dbraw/zinc/89/12/50/558891250.db2.gz RFAHZRFTJRQJRH-IBGZPJMESA-N 0 1 419.573 3.972 40 0 HHABMN COc1cccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)c1 ZINC000019496077 558895022 /nfs/dbraw/zinc/89/50/22/558895022.db2.gz BVNONJSRDJCTPJ-IRXDYDNUSA-N 0 1 424.545 3.841 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O ZINC000019502876 558900316 /nfs/dbraw/zinc/90/03/16/558900316.db2.gz XTLSZKLFAWKSRI-LJQANCHMSA-N 0 1 422.554 3.692 40 0 HHABMN CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc4cc(OC)ccc4n3)C2)no1 ZINC000019503697 558900765 /nfs/dbraw/zinc/90/07/65/558900765.db2.gz NYORPSPDYAFIJV-KRWDZBQOSA-N 0 1 408.502 3.751 40 0 HHABMN CCN1CCN(Cc2ccncc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527453 558908708 /nfs/dbraw/zinc/90/87/08/558908708.db2.gz GETWEKBQRAGOMT-DEOSSOPVSA-N 0 1 400.526 3.667 40 0 HHABMN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 ZINC000019568946 558928080 /nfs/dbraw/zinc/92/80/80/558928080.db2.gz KMKKTGZJLXUWPQ-AWEZNQCLSA-N 0 1 420.439 3.786 40 0 HHABMN COc1ccccc1C[NH2+][C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019570838 558929534 /nfs/dbraw/zinc/92/95/34/558929534.db2.gz WMIAJKFPHHEPMN-QFIPXVFZSA-N 0 1 412.493 3.914 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000072330602 558935086 /nfs/dbraw/zinc/93/50/86/558935086.db2.gz DWHQBTCVRJYDIW-WTNAPCKOSA-N 0 1 415.484 3.608 40 0 HHABMN CN(C)c1ncccc1CN1CCC(c2n[nH]cc2C(=O)N(C)C2CCCCC2)CC1 ZINC000019584104 558938292 /nfs/dbraw/zinc/93/82/92/558938292.db2.gz QSAZPAGEPKMRBU-UHFFFAOYSA-N 0 1 424.593 3.655 40 0 HHABMN COCCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)cc1 ZINC000019593715 558944754 /nfs/dbraw/zinc/94/47/54/558944754.db2.gz CUSHBVMKFQNDLK-QFIPXVFZSA-N 0 1 420.513 3.584 40 0 HHABMN CN(C)[C@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)c1cccc(Cl)c1 ZINC000019654997 558948410 /nfs/dbraw/zinc/94/84/10/558948410.db2.gz WUZPYOUNDZNMAG-HXUWFJFHSA-N 0 1 404.913 3.946 40 0 HHABMN CN(C)[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)c1cccc(F)c1 ZINC000019662059 558953107 /nfs/dbraw/zinc/95/31/07/558953107.db2.gz OYMXYBYDECJXMZ-HXUWFJFHSA-N 0 1 404.913 3.946 40 0 HHABMN O=C(CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCC1 ZINC000072359396 558954978 /nfs/dbraw/zinc/95/49/78/558954978.db2.gz DXCGORAUJXHYES-KRWDZBQOSA-N 0 1 418.463 3.964 40 0 HHABMN Cc1ccc(-c2cc(C(=O)Nc3cccc(N4CCCCS4(=O)=O)c3)[nH]n2)cc1 ZINC000019666492 558956203 /nfs/dbraw/zinc/95/62/03/558956203.db2.gz QSXQNGSEQOEGKN-UHFFFAOYSA-N 0 1 410.499 3.567 40 0 HHABMN Cc1ccc2n[nH]c(C(=O)N3CC[C@H](c4cc(-c5cnn(C)c5)cc(C)n4)C3)c2c1 ZINC000072374727 558962732 /nfs/dbraw/zinc/96/27/32/558962732.db2.gz CUMCYNMLDJCGMP-INIZCTEOSA-N 0 1 400.486 3.605 40 0 HHABMN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(Cl)c4Cl)C[C@H]32)c(OC)n1 ZINC000072392599 558972422 /nfs/dbraw/zinc/97/24/22/558972422.db2.gz XETROFOTTAYKHQ-PGICJIBASA-N 0 1 424.328 3.530 40 0 HHABMN CC(C)n1cc(CN2CCC[C@]3(C[C@@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102403 559026159 /nfs/dbraw/zinc/02/61/59/559026159.db2.gz HFWWMCABYRSAPF-GGAORHGYSA-N 0 1 412.534 3.514 40 0 HHABMN CCOc1ccc(C(=O)N2CCc3ncc(-c4cccc5c4CN(C)C5)n3CC2)cc1 ZINC000585111269 559031853 /nfs/dbraw/zinc/03/18/53/559031853.db2.gz MDDSOHNVVHCSGW-UHFFFAOYSA-N 0 1 416.525 3.593 40 0 HHABMN O=C(C[C@@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053105 559092938 /nfs/dbraw/zinc/09/29/38/559092938.db2.gz PHBYMVYBLJPGBP-OAQYLSRUSA-N 0 1 405.542 3.899 40 0 HHABMN CCc1cccc(NC(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC000096239948 559103501 /nfs/dbraw/zinc/10/35/01/559103501.db2.gz KLMFCLOMWGALSP-UHFFFAOYSA-N 0 1 408.546 3.791 40 0 HHABMN CCc1ccc(NC(=O)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc1 ZINC000096239949 559103561 /nfs/dbraw/zinc/10/35/61/559103561.db2.gz NKNKVZBKAVZGPI-UHFFFAOYSA-N 0 1 408.546 3.791 40 0 HHABMN CCc1cccc(NC(=O)N2CCC3(CC2)COCCN(Cc2cccnc2)C3)c1 ZINC000096239899 559103571 /nfs/dbraw/zinc/10/35/71/559103571.db2.gz XJWJGIDHTASAED-UHFFFAOYSA-N 0 1 408.546 3.791 40 0 HHABMN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1N1CCN(Cc2ccc(F)cc2)CC1 ZINC000585289014 559122383 /nfs/dbraw/zinc/12/23/83/559122383.db2.gz CWBHTWBHUGBQQP-YTFSRNRJSA-N 0 1 418.940 3.958 40 0 HHABMN Cc1cc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccc1Br ZINC000111892595 559178200 /nfs/dbraw/zinc/17/82/00/559178200.db2.gz JIGNNHMOLXJMRC-UHFFFAOYSA-N 0 1 418.335 3.527 40 0 HHABMN COc1ccccc1-c1cccc(CC2(C(=O)N[C@@H]3CCCN(C)C3)CCOCC2)c1 ZINC000257235467 559284139 /nfs/dbraw/zinc/28/41/39/559284139.db2.gz GXZJPQSYUKUDAT-JOCHJYFZSA-N 0 1 422.569 3.912 40 0 HHABMN COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000409380294 560718625 /nfs/dbraw/zinc/71/86/25/560718625.db2.gz BJTKBYFBLIPDDE-UHFFFAOYSA-N 0 1 410.923 3.524 40 0 HHABMN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)NC(=S)N1 ZINC000007260891 560750032 /nfs/dbraw/zinc/75/00/32/560750032.db2.gz JLWGJOZPWVVPPG-OAHLLOKOSA-N 0 1 413.337 3.594 40 0 HHABMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(OC)c3)C(=O)NC2=S)cc1 ZINC000009973091 560760992 /nfs/dbraw/zinc/76/09/92/560760992.db2.gz WHJXWOILNWVNQQ-LDADJPATSA-N 0 1 424.522 3.876 40 0 HHABMN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585919 560817229 /nfs/dbraw/zinc/81/72/29/560817229.db2.gz JDKGISBFDQHCQX-UHFFFAOYSA-N 0 1 424.931 3.796 40 0 HHABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100722333 560850751 /nfs/dbraw/zinc/85/07/51/560850751.db2.gz AJAPTWKTHVPRHV-BHIFYINESA-N 0 1 418.424 3.885 40 0 HHABMN CCOC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000020569555 568457226 /nfs/dbraw/zinc/45/72/26/568457226.db2.gz WYEUULWTLSFFAG-UHFFFAOYSA-N 0 1 424.478 3.916 40 0 HHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCC2)c1 ZINC000026114744 568540220 /nfs/dbraw/zinc/54/02/20/568540220.db2.gz CXDHUCQECPMGOR-UHFFFAOYSA-N 0 1 420.556 3.762 40 0 HHABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NC(C)(C)CC(C)(C)C)s2)cc1 ZINC000225109651 568615034 /nfs/dbraw/zinc/61/50/34/568615034.db2.gz INKMNOPLOHFPMY-UHFFFAOYSA-N 0 1 410.565 3.592 40 0 HHABMN COc1ccc(Cl)cc1NC(=S)N1CCN(C2Cc3ccccc3C2)CC1 ZINC000225211054 568623475 /nfs/dbraw/zinc/62/34/75/568623475.db2.gz XQZCOJZJCGKKLG-UHFFFAOYSA-N 0 1 401.963 3.830 40 0 HHABMN N[C@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533991 568635397 /nfs/dbraw/zinc/63/53/97/568635397.db2.gz RVHPODFYZGDAOV-ZDUSSCGKSA-N 0 1 410.646 3.778 40 0 HHABMN COc1ccc(C(=O)N(c2ccccc2)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000956442 568757716 /nfs/dbraw/zinc/75/77/16/568757716.db2.gz UQQCBESKRYVHEU-OAQYLSRUSA-N 0 1 400.434 3.674 40 0 HHABMN COc1ccc(C(=O)N(c2ccccc2)C2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000956442 568757717 /nfs/dbraw/zinc/75/77/17/568757717.db2.gz UQQCBESKRYVHEU-OAQYLSRUSA-N 0 1 400.434 3.674 40 0 HHABMN Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 ZINC000257237392 568786886 /nfs/dbraw/zinc/78/68/86/568786886.db2.gz HGGOQXXOUUFUFK-AWEZNQCLSA-N 0 1 408.531 3.822 40 0 HHABMN FC(F)(F)c1cccnc1[N-]c1nccc(C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000257247132 568789462 /nfs/dbraw/zinc/78/94/62/568789462.db2.gz IXQVKDURWNNPSI-UHFFFAOYSA-N 0 1 407.440 3.992 40 0 HHABMN COCCc1ncc(CN2CCC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)cn1 ZINC000257251652 568790741 /nfs/dbraw/zinc/79/07/41/568790741.db2.gz JRPHEKOPDFRTIP-GOSISDBHSA-N 0 1 424.574 3.949 40 0 HHABMN O=C(C1CCCC1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257253126 568791206 /nfs/dbraw/zinc/79/12/06/568791206.db2.gz JXRNMQKJDBRKLO-FQEVSTJZSA-N 0 1 403.910 3.775 40 0 HHABMN CN(C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CCc2ccncc2)C1)C1CCCCC1 ZINC000257262564 568793498 /nfs/dbraw/zinc/79/34/98/568793498.db2.gz LLXRRSALZOAZKR-LJQANCHMSA-N 0 1 423.561 3.548 40 0 HHABMN CCCCS(=O)(=O)Nc1nn(Cc2ccccc2)c2nnc(-c3ccoc3)cc12 ZINC000306124471 568887460 /nfs/dbraw/zinc/88/74/60/568887460.db2.gz BQRITVQINALQJS-UHFFFAOYSA-N 0 1 411.487 3.676 40 0 HHABMN COc1ccc(CN2CC[C@@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)cc1 ZINC000306135298 568897131 /nfs/dbraw/zinc/89/71/31/568897131.db2.gz OMUQLEYOJJWADV-HSZRJFAPSA-N 0 1 405.523 3.956 40 0 HHABMN OCCCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)n1 ZINC000329022098 568973032 /nfs/dbraw/zinc/97/30/32/568973032.db2.gz OKAXAHMXHUUUSN-UHFFFAOYSA-N 0 1 408.424 3.610 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)[C@H]1CCCO1 ZINC000247469375 569315392 /nfs/dbraw/zinc/31/53/92/569315392.db2.gz DWHQBTCVRJYDIW-YHYVQYDKSA-N 0 1 415.484 3.608 40 0 HHABMN COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000006707007 569334451 /nfs/dbraw/zinc/33/44/51/569334451.db2.gz XRPQQFVUVRPMGI-UHFFFAOYSA-N 0 1 410.923 3.524 40 0 HHABMN Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 ZINC000006860327 569334904 /nfs/dbraw/zinc/33/49/04/569334904.db2.gz RMYBGDXXNLBCHU-DEDYPNTBSA-N 0 1 416.433 3.829 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)cc1 ZINC000014230935 962452052 /nfs/dbraw/zinc/45/20/52/962452052.db2.gz GMYKUFHBDJOCKX-UHFFFAOYSA-N 0 1 422.304 3.503 40 0 HHABMN COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4COC(=O)NC(C)C)nc(C)n2)cc1 ZINC000008635831 291254139 /nfs/dbraw/zinc/25/41/39/291254139.db2.gz ORVASVAZJDTUPL-ZVDOUQERSA-N 0 1 424.545 3.773 40 0 biogenic,in-vitro HHABMN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4COC(=O)NC(C)C)nc(C)n2)cc1 ZINC000008635831 291254140 /nfs/dbraw/zinc/25/41/40/291254140.db2.gz ORVASVAZJDTUPL-ZVDOUQERSA-N 0 1 424.545 3.773 40 0 biogenic,in-vitro HHABMN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)[C@@H]1CCCN(c3nc(Cl)nc4[nH]cnc43)C1)C2 ZINC000008992769 132334519 /nfs/dbraw/zinc/33/45/19/132334519.db2.gz FIDDQKRUIGHSCP-ZMOMAAQPSA-N 0 1 416.957 3.650 40 0 HHABMN CC(C)c1ccc(OCCOC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000040373336 519838156 /nfs/dbraw/zinc/83/81/56/519838156.db2.gz ALGAETSKIXJWHU-QHCPKHFHSA-N 0 1 416.537 3.528 40 0 HHABMN Cc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 ZINC000408542200 557360185 /nfs/dbraw/zinc/36/01/85/557360185.db2.gz HRBPABSRHNGABC-UHFFFAOYSA-N 0 1 419.304 3.979 40 0 HHABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1Cl ZINC000003135916 557449965 /nfs/dbraw/zinc/44/99/65/557449965.db2.gz COLBFFWOKLWBGN-UHFFFAOYSA-N 0 1 423.281 3.837 40 0 HHABMN CC(=O)Nc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000408614534 557538573 /nfs/dbraw/zinc/53/85/73/557538573.db2.gz DKGUVTFOUWCLCB-UHFFFAOYSA-N 0 1 409.467 3.698 40 0 HHABMN Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752950 558272271 /nfs/dbraw/zinc/27/22/71/558272271.db2.gz PMEXHYAPJQXGLY-OAQYLSRUSA-N 0 1 414.557 3.907 40 0 HHABMN Cc1nc([C@H]2CCCN(Cc3ccccn3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752968 558272320 /nfs/dbraw/zinc/27/23/20/558272320.db2.gz ZDMSGLDFWLLECL-FQEVSTJZSA-N 0 1 414.557 3.907 40 0 HHABMN Cc1ncc(CN2CCC(Cc3nn(C)cc3C(=O)NCc3ccccc3)CC2)s1 ZINC000019756357 558274392 /nfs/dbraw/zinc/27/43/92/558274392.db2.gz LGUMSRXBACGEHP-UHFFFAOYSA-N 0 1 423.586 3.570 40 0 HHABMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000013948498 558607274 /nfs/dbraw/zinc/60/72/74/558607274.db2.gz PKCUKTLWLICPCO-UHFFFAOYSA-N 0 1 406.685 3.921 40 0 HHABMN O=C(CSc1nc2ccccc2nc1-c1ccccc1)NCCN1CCCCC1 ZINC000016492067 558794792 /nfs/dbraw/zinc/79/47/92/558794792.db2.gz BFIVETOZQPYKNP-UHFFFAOYSA-N 0 1 406.555 3.991 40 0 HHABMN CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000038754062 558814194 /nfs/dbraw/zinc/81/41/94/558814194.db2.gz GXTUGEPBJZTLBK-UHFFFAOYSA-N 0 1 411.483 3.922 40 0 HHABMN CC(=O)Nc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@]23CCCC(=O)N3)cc1 ZINC000019022627 558838047 /nfs/dbraw/zinc/83/80/47/558838047.db2.gz RFGLBYRUKWXMAR-WMZHIEFXSA-N 0 1 413.468 3.562 40 0 HHABMN Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(Cc3ccccn3)C2)on1 ZINC000019122218 558843574 /nfs/dbraw/zinc/84/35/74/558843574.db2.gz XBJVCRVYOSMYPP-GOSISDBHSA-N 0 1 404.518 3.815 40 0 HHABMN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)CN3CCCC[C@@H]3C)cc2)on1 ZINC000019123874 558844186 /nfs/dbraw/zinc/84/41/86/558844186.db2.gz SYYSUKNHAGFQOR-KRWDZBQOSA-N 0 1 419.529 3.906 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000019214187 558849668 /nfs/dbraw/zinc/84/96/68/558849668.db2.gz KJZNWLQBONPHRN-SBUREZEXSA-N 0 1 405.498 3.977 40 0 HHABMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@H](C)n3cnc4ccccc4c3=O)[nH]c2c1 ZINC000019221509 558851945 /nfs/dbraw/zinc/85/19/45/558851945.db2.gz MOEIBBNJWQVYQG-YWZLYKJASA-N 0 1 401.470 3.506 40 0 HHABMN O=C(c1ccn[nH]1)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019344361 558872935 /nfs/dbraw/zinc/87/29/35/558872935.db2.gz OBCFITWFULKOLQ-NSHDSACASA-N 0 1 407.421 3.967 40 0 HHABMN Fc1ccccc1-n1cccc1CN(CCCN1CCOCC1)Cc1cccnc1 ZINC000019368468 558877519 /nfs/dbraw/zinc/87/75/19/558877519.db2.gz QJMTYJUJIVFGOK-UHFFFAOYSA-N 0 1 408.521 3.736 40 0 HHABMN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000019497340 558896184 /nfs/dbraw/zinc/89/61/84/558896184.db2.gz HMMNKOULHLHRHL-HZPDHXFCSA-N 0 1 416.953 3.692 40 0 HHABMN CCN1CCN(Cc2ccccn2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527400 558908524 /nfs/dbraw/zinc/90/85/24/558908524.db2.gz VRIVPEXPINBKHM-HSZRJFAPSA-N 0 1 400.526 3.667 40 0 HHABMN COc1cccc2ccc(CN3CCC[C@H](c4cc(C(=O)N5CCCC5)on4)C3)nc21 ZINC000019568441 558927526 /nfs/dbraw/zinc/92/75/26/558927526.db2.gz BXNYRZSDIXHIRZ-SFHVURJKSA-N 0 1 420.513 3.847 40 0 HHABMN COc1cccc2ccc(CN3CCC[C@@H](c4cc(C(=O)N5CCCC5)on4)C3)nc21 ZINC000019568438 558927595 /nfs/dbraw/zinc/92/75/95/558927595.db2.gz BXNYRZSDIXHIRZ-GOSISDBHSA-N 0 1 420.513 3.847 40 0 HHABMN Cc1nc([C@H]2CCCCN2C2CCOCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345452 558941913 /nfs/dbraw/zinc/94/19/13/558941913.db2.gz XNYZRYLYWVPHDA-OAQYLSRUSA-N 0 1 412.509 3.560 40 0 HHABMN CNc1cc(C2CCN(Cc3c(OC)cccc3OC)CC2)nc(-c2ccncc2)n1 ZINC000019592294 558943240 /nfs/dbraw/zinc/94/32/40/558943240.db2.gz OTAYUNAZKPJAHN-UHFFFAOYSA-N 0 1 419.529 3.977 40 0 HHABMN Cc1ccc2nc([C@H]3CCCCN3C(=O)[C@@H](C)n3ncc4ccccc4c3=O)[nH]c2c1 ZINC000072346782 558943499 /nfs/dbraw/zinc/94/34/99/558943499.db2.gz MLAXUZCCCYVSCX-IIBYNOLFSA-N 0 1 415.497 3.896 40 0 HHABMN Cc1cc(CN2CCOCC2)oc1C(=O)N1CCCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000072346786 558943504 /nfs/dbraw/zinc/94/35/04/558943504.db2.gz WPPNSSKUYPMKQN-OAQYLSRUSA-N 0 1 422.529 3.972 40 0 HHABMN Cc1ccc2nc([C@@H]3CCCCN3C(=O)[C@@H](C)n3ncc4ccccc4c3=O)[nH]c2c1 ZINC000072346781 558943557 /nfs/dbraw/zinc/94/35/57/558943557.db2.gz MLAXUZCCCYVSCX-IERDGZPVSA-N 0 1 415.497 3.896 40 0 HHABMN NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN2Cc2ccc(Cl)cc2)c1 ZINC000072354657 558951819 /nfs/dbraw/zinc/95/18/19/558951819.db2.gz XWTZEPTVUVKBRM-LJQANCHMSA-N 0 1 407.905 3.815 40 0 HHABMN O=C(CN1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)N1CCCCC1 ZINC000072369955 558956183 /nfs/dbraw/zinc/95/61/83/558956183.db2.gz ZVYZARDEUFAOLW-OAHLLOKOSA-N 0 1 408.424 3.557 40 0 HHABMN Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)s1 ZINC000072371435 558958070 /nfs/dbraw/zinc/95/80/70/558958070.db2.gz CVXZSWYTCGNZKH-HNNXBMFYSA-N 0 1 414.506 3.873 40 0 HHABMN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN3Cc3cnc(C)s3)c2)cn1 ZINC000019690814 558960247 /nfs/dbraw/zinc/96/02/47/558960247.db2.gz WUFBDKYFPUBBNB-OAQYLSRUSA-N 0 1 407.543 3.914 40 0 HHABMN Cc1ccc2n[nH]c(C(=O)N3CCC(c4cc(-c5cnn(C)c5)cc(C)n4)CC3)c2c1 ZINC000019692122 558961737 /nfs/dbraw/zinc/96/17/37/558961737.db2.gz KSIUMKRSAKJEJJ-UHFFFAOYSA-N 0 1 414.513 3.995 40 0 HHABMN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072374854 558962934 /nfs/dbraw/zinc/96/29/34/558962934.db2.gz QKDMYOHWJRACFD-KRWDZBQOSA-N 0 1 420.492 3.881 40 0 HHABMN CCn1cc(CN2CCC([C@H]3CC=CCN(Cc4cccc(OC)c4)C3=O)CC2)cn1 ZINC000019698463 558965948 /nfs/dbraw/zinc/96/59/48/558965948.db2.gz SYWBVIWTYHPKLF-XMMPIXPASA-N 0 1 422.573 3.729 40 0 HHABMN COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4cccnc4)CC3)C2=O)c1 ZINC000019703729 558967708 /nfs/dbraw/zinc/96/77/08/558967708.db2.gz YYSPAECSZYLFTE-XMMPIXPASA-N 0 1 405.542 3.907 40 0 HHABMN COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4ccccn4)CC3)C2=O)c1 ZINC000019703737 558967797 /nfs/dbraw/zinc/96/77/97/558967797.db2.gz ZDYYLFUOFLEXGP-DEOSSOPVSA-N 0 1 405.542 3.907 40 0 HHABMN Cc1cc(Nc2cccc([C@@H]3CCCN(C(=O)c4cc(C(F)(F)F)[nH]n4)C3)n2)n[nH]1 ZINC000072382895 558968999 /nfs/dbraw/zinc/96/89/99/558968999.db2.gz FRUMHAXIGHHVQY-GFCCVEGCSA-N 0 1 419.411 3.618 40 0 HHABMN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN(C)Cc4cccnc4)C3)CC2)cc1F ZINC000585104878 559027546 /nfs/dbraw/zinc/02/75/46/559027546.db2.gz VCWANOFBVQZJIV-OAQYLSRUSA-N 0 1 411.521 3.672 40 0 HHABMN CCCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc32)s1 ZINC000096154606 559099028 /nfs/dbraw/zinc/09/90/28/559099028.db2.gz SMESUCVEAXMDNI-UHFFFAOYSA-N 0 1 413.547 3.575 40 0 HHABMN COC1(COc2cccc(Cl)c2)CCN(CC(=O)NCCc2ccccc2)CC1 ZINC000585272461 559117995 /nfs/dbraw/zinc/11/79/95/559117995.db2.gz IWUFOAVAQCWLNC-UHFFFAOYSA-N 0 1 416.949 3.559 40 0 HHABMN Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(CC(=O)NCc3ccccc3)CC2)c1 ZINC000585274083 559118838 /nfs/dbraw/zinc/11/88/38/559118838.db2.gz QWJCKEJDKGXCOY-HSZRJFAPSA-N 0 1 416.949 3.561 40 0 HHABMN CCc1n[nH]c(C(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3ccncc3)CC2)c1C ZINC000100744829 559139649 /nfs/dbraw/zinc/13/96/49/559139649.db2.gz DGDLTTQKJRHEGT-MAEOIBBWSA-N 0 1 406.534 3.780 40 0 HHABMN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(OC)c1 ZINC000016096201 560858344 /nfs/dbraw/zinc/85/83/44/560858344.db2.gz UZTSRCOWTAQHPP-UHFFFAOYSA-N 0 1 412.467 3.757 40 0 HHABMN Cc1[nH]c2nn(-c3ccccc3)c(=O)c-2c(O)c1Cc1ccc(Br)cc1 ZINC000017088396 560863403 /nfs/dbraw/zinc/86/34/03/560863403.db2.gz PBDNEFVTFDJJNY-UHFFFAOYSA-N 0 1 410.271 3.669 40 0 HHABMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)c1 ZINC000222977421 568532877 /nfs/dbraw/zinc/53/28/77/568532877.db2.gz LGYFAODSYBQNEK-UHFFFAOYSA-N 0 1 417.487 3.602 40 0 HHABMN O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(F)(F)F)ccc21 ZINC000224060015 568568239 /nfs/dbraw/zinc/56/82/39/568568239.db2.gz RMXCXWQFINBOEM-UHFFFAOYSA-N 0 1 410.417 3.805 40 0 HHABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(C)cc2)cc1 ZINC000224558095 568585114 /nfs/dbraw/zinc/58/51/14/568585114.db2.gz GEKYQZGXJWPNSK-UHFFFAOYSA-N 0 1 410.495 3.986 40 0 HHABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NC(C)(C)CC(C)(C)C)s1 ZINC000225109596 568614972 /nfs/dbraw/zinc/61/49/72/568614972.db2.gz CCGXLUPAMAIUIS-UHFFFAOYSA-N 0 1 410.565 3.592 40 0 HHABMN CCC(C)(C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225535188 568648517 /nfs/dbraw/zinc/64/85/17/568648517.db2.gz HZBLKVMBDXPEOZ-UHFFFAOYSA-N 0 1 423.347 3.564 40 0 HHABMN c1cn2cc(C[C@@H]3COCCN(Cc4ccccc4OC4CCCC4)C3)ncc2n1 ZINC000257207956 568778310 /nfs/dbraw/zinc/77/83/10/568778310.db2.gz BKBOKDKDTGILFO-IBGZPJMESA-N 0 1 406.530 3.742 40 0 HHABMN Cc1noc(C)c1CC(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cn3)cc(C)n2)C1 ZINC000257235329 568786390 /nfs/dbraw/zinc/78/63/90/568786390.db2.gz GXISRDRMOBWZMO-MRXNPFEDSA-N 0 1 409.465 3.831 40 0 HHABMN Cc1nc([C@H]2CCN(Cc3ccccc3Cl)C2)nc(C)c1CC(=O)NC(C)C ZINC000257244506 568788702 /nfs/dbraw/zinc/78/87/02/568788702.db2.gz ILQBPWPXGMPFBW-SFHVURJKSA-N 0 1 400.954 3.803 40 0 HHABMN CCN(CC)C(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)COc1c(C)cccc1C ZINC000257339811 568815964 /nfs/dbraw/zinc/81/59/64/568815964.db2.gz ZDIHDXVVKOMEMX-LJQANCHMSA-N 0 1 412.534 3.641 40 0 HHABMN COc1cccc(CN2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306123320 568886554 /nfs/dbraw/zinc/88/65/54/568886554.db2.gz AKBITFNHJSSZKG-DEOSSOPVSA-N 0 1 413.525 3.894 40 0 HHABMN CCn1cc(CN2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306126385 568889045 /nfs/dbraw/zinc/88/90/45/568889045.db2.gz DUISSIXGEJATBU-NRFANRHFSA-N 0 1 415.545 3.937 40 0 HHABMN COc1ccccc1CN1C[C@@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144038 568905452 /nfs/dbraw/zinc/90/54/52/568905452.db2.gz YTZGROZNZXNVHI-YADHBBJMSA-N 0 1 405.473 3.717 40 0 HHABMN COc1cccc(-c2cc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)[nH]n2)c1 ZINC000006289849 568936607 /nfs/dbraw/zinc/93/66/07/568936607.db2.gz LQBFVLVUZZWONS-UHFFFAOYSA-N 0 1 408.425 3.529 40 0 HHABMN CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000328991049 568971494 /nfs/dbraw/zinc/97/14/94/568971494.db2.gz IRVFWNAGRNCHCL-CYBMUJFWSA-N 0 1 410.440 3.854 40 0 HHABMN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000006441025 569332407 /nfs/dbraw/zinc/33/24/07/569332407.db2.gz XUKNVOFHDYJPDS-UHFFFAOYSA-N 0 1 402.863 3.643 40 0 HHABMN O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1cccc(F)c1 ZINC000038182480 569351764 /nfs/dbraw/zinc/35/17/64/569351764.db2.gz UKTCEDLKEGRJAK-UHFFFAOYSA-N 0 1 423.267 3.810 40 0 HHABMN CN(C)CCNc1nc(-c2ccccn2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328958540 571304614 /nfs/dbraw/zinc/30/46/14/571304614.db2.gz APWWWICBFSCPGC-UHFFFAOYSA-N 0 1 418.332 4.258 40 0 HHABMN CC(C)CNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000012602061 291248023 /nfs/dbraw/zinc/24/80/23/291248023.db2.gz IEJLSJAQGJVSNJ-ZCNNSNEGSA-N 0 1 417.667 3.766 40 0 biogenic,in-vitro HHABMN CC(C)CNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(C2CCCCC2)nn1C ZINC000012602061 291248028 /nfs/dbraw/zinc/24/80/28/291248028.db2.gz IEJLSJAQGJVSNJ-ZCNNSNEGSA-N 0 1 417.667 3.766 40 0 biogenic,in-vitro HHABMN COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2c[nH]c3ccccc23)n1 ZINC000035424990 291251508 /nfs/dbraw/zinc/25/15/08/291251508.db2.gz SVMGDQPYMVDZQV-FQEVSTJZSA-N 0 1 419.485 3.975 40 0 biogenic,in-vitro HHABMN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1 ZINC000067879683 291259472 /nfs/dbraw/zinc/25/94/72/291259472.db2.gz FXFYVSNGRSOLIG-IBGZPJMESA-N 0 1 419.485 3.767 40 0 biogenic,in-vitro HHABMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)cc1 ZINC000067879683 291259474 /nfs/dbraw/zinc/25/94/74/291259474.db2.gz FXFYVSNGRSOLIG-IBGZPJMESA-N 0 1 419.485 3.767 40 0 biogenic,in-vitro HHABMN Cc1ccc(S(=O)(=O)Oc2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000001725423 557283251 /nfs/dbraw/zinc/28/32/51/557283251.db2.gz RJOJUCUNMIFQJG-UHFFFAOYSA-N 0 1 403.481 3.564 40 0 HHABMN O=C([O-])CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000408603219 557523655 /nfs/dbraw/zinc/52/36/55/557523655.db2.gz BNKCNMRVJUGPQQ-LJQANCHMSA-N 0 1 404.869 3.843 40 0 HHABMN COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000408615751 557542077 /nfs/dbraw/zinc/54/20/77/557542077.db2.gz CSQCFCXQAUGSAQ-CQSZACIVSA-N 0 1 410.923 3.522 40 0 HHABMN CCOc1ccc(C2=NN(CC)C(=O)[C@H](c3c(C)[nH]n(-c4ccccc4)c3=O)C2)cc1 ZINC000005807714 557675637 /nfs/dbraw/zinc/67/56/37/557675637.db2.gz KDNOVJQOHLZBDA-RBBKRZOGSA-N 0 1 418.497 3.697 40 0 HHABMN CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CN3CCCC3)cc(C(F)(F)F)c12 ZINC000019742362 558262669 /nfs/dbraw/zinc/26/26/69/558262669.db2.gz KLHCQUKOTBGNKF-OAHLLOKOSA-N 0 1 424.471 3.556 40 0 HHABMN Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)c3cc(C4CC4)on3)cc(C(F)(F)F)c12 ZINC000019743433 558264014 /nfs/dbraw/zinc/26/40/14/558264014.db2.gz LSDITLFWYQJYBP-CYBMUJFWSA-N 0 1 420.395 3.792 40 0 HHABMN O=C(CN1CCC(n2cnc3cccnc32)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012144603 558335870 /nfs/dbraw/zinc/33/58/70/558335870.db2.gz UFDXCBXYJVODFX-UHFFFAOYSA-N 0 1 417.557 3.550 40 0 HHABMN CCOc1cc(CN2CCC[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@@H]32)ccc1OC ZINC000012188417 558347380 /nfs/dbraw/zinc/34/73/80/558347380.db2.gz LMAGBDFFOQCPTR-IRLDBZIGSA-N 0 1 424.541 3.839 40 0 HHABMN CCOc1cc(C[N@H+]2CC[C@H](c3cc4nc(C)c(CC)c(=O)n4[n-]3)C2)ccc1OC ZINC000012276382 558364238 /nfs/dbraw/zinc/36/42/38/558364238.db2.gz SWZFHOMWXQLCPW-KRWDZBQOSA-N 0 1 410.518 3.703 40 0 HHABMN CC(=O)N[C@H](c1c(=O)n(-c2ccccc2)[nH]c1C(C)(C)C)C(Cl)(Cl)Cl ZINC000016320964 558785995 /nfs/dbraw/zinc/78/59/95/558785995.db2.gz NBOQKBNWTMRJQQ-GXTWGEPZSA-N 0 1 404.725 3.926 40 0 HHABMN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101030662 558825711 /nfs/dbraw/zinc/82/57/11/558825711.db2.gz KERNKEUSBXMSQX-FKBYEOEOSA-N 0 1 400.434 3.746 40 0 HHABMN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101030662 558825712 /nfs/dbraw/zinc/82/57/12/558825712.db2.gz KERNKEUSBXMSQX-FKBYEOEOSA-N 0 1 400.434 3.746 40 0 HHABMN O=C(CC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014901 558837041 /nfs/dbraw/zinc/83/70/41/558837041.db2.gz WGAMTHSNSZZPBX-GOSISDBHSA-N 0 1 412.578 3.769 40 0 HHABMN CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCCN(CCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219464 558851299 /nfs/dbraw/zinc/85/12/99/558851299.db2.gz PTTRLEAFMGIMJA-RUZDIDTESA-N 0 1 424.516 3.983 40 0 HHABMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@@H](C)n3cnc4ccccc4c3=O)[nH]c2c1 ZINC000019221507 558851949 /nfs/dbraw/zinc/85/19/49/558851949.db2.gz MOEIBBNJWQVYQG-FOIQADDNSA-N 0 1 401.470 3.506 40 0 HHABMN FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@H]3CCN3CCOCC3)n2)cc1 ZINC000019336967 558870439 /nfs/dbraw/zinc/87/04/39/558870439.db2.gz HVUSYOZBKLKNTM-SFHVURJKSA-N 0 1 424.467 3.832 40 0 HHABMN O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019370213 558878348 /nfs/dbraw/zinc/87/83/48/558878348.db2.gz KMBYROMYCPWRFP-QFIPXVFZSA-N 0 1 420.557 3.779 40 0 HHABMN CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019449348 558887770 /nfs/dbraw/zinc/88/77/70/558887770.db2.gz FHTSYOMPDFVFHE-HSZRJFAPSA-N 0 1 422.554 3.738 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2ccccc2-c2cccs2)C1=O ZINC000019503312 558900650 /nfs/dbraw/zinc/90/06/50/558900650.db2.gz RILUHTYMDLHZMI-SFHVURJKSA-N 0 1 422.554 3.692 40 0 HHABMN CCc1cc(C(F)(F)F)n2nc(C3CCN(Cc4cnc(C)nc4)CC3)cc2n1 ZINC000019522463 558903833 /nfs/dbraw/zinc/90/38/33/558903833.db2.gz OTTPWPJNTBGXNM-UHFFFAOYSA-N 0 1 404.440 3.789 40 0 HHABMN CCN1CCN(Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527759 558909043 /nfs/dbraw/zinc/90/90/43/558909043.db2.gz VTDZKDIGXHNOBD-QHCPKHFHSA-N 0 1 414.553 3.975 40 0 HHABMN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000019530738 558911599 /nfs/dbraw/zinc/91/15/99/558911599.db2.gz RFAFFTKWTKUIPO-UHFFFAOYSA-N 0 1 404.898 3.778 40 0 HHABMN CC(=O)Nc1ccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)c4ccn[nH]4)C3)c2)cc1 ZINC000019570236 558929197 /nfs/dbraw/zinc/92/91/97/558929197.db2.gz VKRJNNJAVUETFL-KRWDZBQOSA-N 0 1 419.485 3.884 40 0 HHABMN CCn1cncc1CN1CCC([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019578592 558934272 /nfs/dbraw/zinc/93/42/72/558934272.db2.gz SGDNKYLFDYVBDJ-HSZRJFAPSA-N 0 1 421.520 3.820 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000072330576 558935198 /nfs/dbraw/zinc/93/51/98/558935198.db2.gz FCJWSRJSGDQLJE-AGHHOFFYSA-N 0 1 415.484 3.608 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)cc1 ZINC000019581520 558937143 /nfs/dbraw/zinc/93/71/43/558937143.db2.gz SOYWDOWPVDQDAR-FGZHOGPDSA-N 0 1 424.932 3.849 40 0 HHABMN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000072337773 558937968 /nfs/dbraw/zinc/93/79/68/558937968.db2.gz NYOKLTCMXIMYEY-APWZRJJASA-N 0 1 415.559 3.640 40 0 HHABMN Cc1nc2cc(NC(=O)CN3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C ZINC000019658015 558950014 /nfs/dbraw/zinc/95/00/14/558950014.db2.gz KGGILXOIUZSRCA-KRWDZBQOSA-N 0 1 416.529 3.651 40 0 HHABMN O=C(CN1CCCC1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359681 558955363 /nfs/dbraw/zinc/95/53/63/558955363.db2.gz JKMULUKKLONUGN-QGZVFWFLSA-N 0 1 418.463 3.964 40 0 HHABMN COc1cc2c(cc1CN1CCC[C@@H]1c1cc(-c3cn[nH]c3)cc(C)n1)OCCO2 ZINC000019690832 558960377 /nfs/dbraw/zinc/96/03/77/558960377.db2.gz UZJZQXICWINEBK-HXUWFJFHSA-N 0 1 406.486 3.897 40 0 HHABMN Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)COc3ccccc3)cc(C(F)(F)F)c12 ZINC000019695520 558963900 /nfs/dbraw/zinc/96/39/00/558963900.db2.gz LXFLGYNPJQAFSZ-OAHLLOKOSA-N 0 1 419.407 3.692 40 0 HHABMN CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(Cc2cncn2CC)C1 ZINC000072394095 558973567 /nfs/dbraw/zinc/97/35/67/558973567.db2.gz BDPPFMLIPZQFBZ-XMMPIXPASA-N 0 1 422.529 3.946 40 0 HHABMN CC(C)n1cc(CN2CCC[C@]3(C[C@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102404 559026119 /nfs/dbraw/zinc/02/61/19/559026119.db2.gz HFWWMCABYRSAPF-GMAHTHKFSA-N 0 1 412.534 3.514 40 0 HHABMN O=C(C[C@@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053103 559092926 /nfs/dbraw/zinc/09/29/26/559092926.db2.gz GRJCHWHTOJDEMI-HXUWFJFHSA-N 0 1 405.542 3.899 40 0 HHABMN COCCNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)Oc2ccccc21 ZINC000096053372 559093344 /nfs/dbraw/zinc/09/33/44/559093344.db2.gz FEGNXMJLOBZKGX-LJQANCHMSA-N 0 1 412.530 3.642 40 0 HHABMN COC1(COc2ccc(C)cc2C)CCN(CC(=O)NCCc2ccccc2)CC1 ZINC000585273456 559117398 /nfs/dbraw/zinc/11/73/98/559117398.db2.gz OLVUMLFIQFOYBH-UHFFFAOYSA-N 0 1 410.558 3.522 40 0 HHABMN Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)n1 ZINC000585291850 559124247 /nfs/dbraw/zinc/12/42/47/559124247.db2.gz UJJZARLIDQMKBO-NDDJGDGRSA-N 0 1 416.529 3.990 40 0 HHABMN CCC(CC)C(=O)N1CCc2nc3cc([C@H]4CCCC[N@H+]4C(C)C)[n-]n3c(=O)c2C1 ZINC000100233733 559132749 /nfs/dbraw/zinc/13/27/49/559132749.db2.gz HGDSHPMVJQOJJF-HXUWFJFHSA-N 0 1 413.566 3.691 40 0 HHABMN CCOc1ccc(C2=NN(CC)C(=O)[C@H](c3c(C)[nH]n(-c4ccccc4)c3=O)C2)cc1 ZINC000102980697 559153988 /nfs/dbraw/zinc/15/39/88/559153988.db2.gz KDNOVJQOHLZBDA-UNMCSNQZSA-N 0 1 418.497 3.697 40 0 HHABMN N[C@@H](C(=O)NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000072380003 559186531 /nfs/dbraw/zinc/18/65/31/559186531.db2.gz ANMSEIJIPACNNM-RWWKDMOOSA-N 0 1 416.529 3.705 40 0 HHABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4cc(OC)ccc4[nH]3)C2)cc1 ZINC000514289347 560033002 /nfs/dbraw/zinc/03/30/02/560033002.db2.gz QWMDPPRYYFGIIA-ROUUACIJSA-N 0 1 423.513 3.736 40 0 biogenic,in-vitro HHABMN COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccc(OC)cc4[nH]3)C2)cc1 ZINC000514289347 560033003 /nfs/dbraw/zinc/03/30/03/560033003.db2.gz QWMDPPRYYFGIIA-ROUUACIJSA-N 0 1 423.513 3.736 40 0 biogenic,in-vitro HHABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccc(OC)cc4[nH]3)C2)cc1 ZINC000514289347 560033004 /nfs/dbraw/zinc/03/30/04/560033004.db2.gz QWMDPPRYYFGIIA-ROUUACIJSA-N 0 1 423.513 3.736 40 0 biogenic,in-vitro HHABMN CCOc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccccc1 ZINC000409048136 560669751 /nfs/dbraw/zinc/66/97/51/560669751.db2.gz QKGHDMSTHZXJKD-OVCLIPMQSA-N 0 1 417.259 3.607 40 0 HHABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccnc2)ccc1Cl ZINC000409412605 560722966 /nfs/dbraw/zinc/72/29/66/560722966.db2.gz YNCNISPXAKGXFM-UHFFFAOYSA-N 0 1 415.902 3.774 40 0 HHABMN CCC(CC)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000222687659 568523692 /nfs/dbraw/zinc/52/36/92/568523692.db2.gz NPAUEHUCBAHUEL-UHFFFAOYSA-N 0 1 423.347 3.564 40 0 HHABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(OC)c1 ZINC000224522953 568583523 /nfs/dbraw/zinc/58/35/23/568583523.db2.gz LKKJMJVUBQQBHU-UHFFFAOYSA-N 0 1 412.467 3.757 40 0 HHABMN CCn1c2ccc(NS(=O)(=O)c3cc4c(cc3OC)CCCC4)cc2sc1=O ZINC000225125521 568615862 /nfs/dbraw/zinc/61/58/62/568615862.db2.gz VBFICWINUHQXKA-UHFFFAOYSA-N 0 1 418.540 3.771 40 0 HHABMN CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000257207353 568778377 /nfs/dbraw/zinc/77/83/77/568778377.db2.gz BHIZHKBSLDPBGL-STCFVSJZSA-N 0 1 406.530 3.779 40 0 HHABMN Cc1c(CN2CCO[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)cnn1C ZINC000257261971 568793279 /nfs/dbraw/zinc/79/32/79/568793279.db2.gz LJMOSQRXHUSAEA-XMMPIXPASA-N 0 1 423.561 3.770 40 0 HHABMN O=C(CC1CCCC1)N1CCO[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000257290806 568801699 /nfs/dbraw/zinc/80/16/99/568801699.db2.gz QEKAGIWFZRDSHF-NRFANRHFSA-N 0 1 419.472 3.790 40 0 HHABMN COc1cccc(OCCc2cc([C@H]3CN(Cc4ccccc4F)CCO3)n[nH]2)c1 ZINC000257301730 568804781 /nfs/dbraw/zinc/80/47/81/568804781.db2.gz RZRIDCSGXCIXRE-HSZRJFAPSA-N 0 1 411.477 3.752 40 0 HHABMN Cc1cc(Nc2cnccn2)cc(C2CCN(CC(=O)Nc3ccccc3F)CC2)n1 ZINC000257304176 568805607 /nfs/dbraw/zinc/80/56/07/568805607.db2.gz SKJJNMWQJIESGS-UHFFFAOYSA-N 0 1 420.492 3.881 40 0 HHABMN Cc1ccc(CN2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)s1 ZINC000306134771 568896767 /nfs/dbraw/zinc/89/67/67/568896767.db2.gz NXTRKLYOYOUWNP-OAQYLSRUSA-N 0 1 404.543 3.650 40 0 HHABMN COc1ccccc1CN1C[C@@H]2[C@@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144036 568905372 /nfs/dbraw/zinc/90/53/72/568905372.db2.gz YTZGROZNZXNVHI-FGZHOGPDSA-N 0 1 405.473 3.717 40 0 HHABMN CCc1ccccc1N1C(=O)/C(=C/c2cn(CC#N)c3ccccc23)C(=O)NC1=S ZINC000006388232 569331897 /nfs/dbraw/zinc/33/18/97/569331897.db2.gz ZOGREPUSMGHMAZ-QGOAFFKASA-N 0 1 414.490 3.559 40 0 HHABMN COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000006478701 569332945 /nfs/dbraw/zinc/33/29/45/569332945.db2.gz VUSIBAMOMYQFHL-CXUHLZMHSA-N 0 1 400.412 3.854 40 0 HHABMN Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2)c1 ZINC000008477207 569341550 /nfs/dbraw/zinc/34/15/50/569341550.db2.gz DZHOPIYSTKERPF-KGENOOAVSA-N 0 1 404.466 3.978 40 0 HHABMN COc1ccc2c(c1)C=C(CN1CC[C@@H](c3c4cccnc4sc3C(N)=O)C1)CO2 ZINC000019702232 569347418 /nfs/dbraw/zinc/34/74/18/569347418.db2.gz BNUWAXJKFRHULB-OAHLLOKOSA-N 0 1 421.522 3.669 40 0 HHABMN CC(=O)N1CCC[C@@H]1c1nc(CN(C)C/C(C)=C/c2ccccc2)cc(N(C)C)n1 ZINC000019709820 569348200 /nfs/dbraw/zinc/34/82/00/569348200.db2.gz PPYVVCCNIUSNBB-OVWUPXBPSA-N 0 1 407.562 3.761 40 0 HHABMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC#N ZINC000033643738 569350811 /nfs/dbraw/zinc/35/08/11/569350811.db2.gz CGZQDJUEGPFWGA-GZTJUZNOSA-N 0 1 421.478 3.886 40 0 HHABMN Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccc(C(C)C)cc3)cn2)cc1 ZINC000033666471 569350966 /nfs/dbraw/zinc/35/09/66/569350966.db2.gz PYYJIDIVDZHWDA-UHFFFAOYSA-N 0 1 410.499 3.962 40 0 HHABMN COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3c[nH]c4ccccc34)n2)cn1 ZINC000035425417 291251496 /nfs/dbraw/zinc/25/14/96/291251496.db2.gz YJVCBHCNSAVVIJ-FQEVSTJZSA-N 0 1 419.485 3.975 40 0 biogenic,in-vitro HHABMN COc1ccc(C(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676043 291254455 /nfs/dbraw/zinc/25/44/55/291254455.db2.gz BJDCEMBESHSNGQ-IBGZPJMESA-N 0 1 419.416 3.547 40 0 biogenic,in-vitro HHABMN CC(C)CC(=O)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000032116808 519583459 /nfs/dbraw/zinc/58/34/59/519583459.db2.gz CIFPWCDTVJHVEB-UHFFFAOYSA-N 0 1 410.131 3.776 40 0 HHABMN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 ZINC000044843405 524780062 /nfs/dbraw/zinc/78/00/62/524780062.db2.gz SHHAVRAYWQXIJB-MRXNPFEDSA-N 0 1 411.483 3.597 40 0 HHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2Cl)c1C ZINC000408546925 557369908 /nfs/dbraw/zinc/36/99/08/557369908.db2.gz HKDZLIRVBUSBCI-INIZCTEOSA-N 0 1 422.934 3.666 40 0 HHABMN CN(C(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 ZINC000003408149 557485439 /nfs/dbraw/zinc/48/54/39/557485439.db2.gz MZZNDPVKYALOCY-UHFFFAOYSA-N 0 1 403.305 3.989 40 0 HHABMN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020482901 558375465 /nfs/dbraw/zinc/37/54/65/558375465.db2.gz KELGMKCMHQQORU-MRXNPFEDSA-N 0 1 411.483 3.597 40 0 HHABMN CC[NH+](CC)CC[N-]C(=S)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000020608606 558389026 /nfs/dbraw/zinc/38/90/26/558389026.db2.gz QJAFUXMOKRMBRA-UHFFFAOYSA-N 0 1 415.403 3.922 40 0 HHABMN O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014803 558836788 /nfs/dbraw/zinc/83/67/88/558836788.db2.gz WAHJMYBYWFGFNG-OAQYLSRUSA-N 0 1 412.578 3.562 40 0 HHABMN O=C(C1CCCC1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014803 558836789 /nfs/dbraw/zinc/83/67/89/558836789.db2.gz WAHJMYBYWFGFNG-OAQYLSRUSA-N 0 1 412.578 3.562 40 0 HHABMN COC[C@H](C)N(Cc1cccc(C)c1)C(=O)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 ZINC000019234908 558854230 /nfs/dbraw/zinc/85/42/30/558854230.db2.gz XFYIZAWFGBUFNJ-INIZCTEOSA-N 0 1 407.470 3.791 40 0 HHABMN Cn1ccnc1[C@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000019291200 558863592 /nfs/dbraw/zinc/86/35/92/558863592.db2.gz AYLOOQHDEWXXKV-HSZRJFAPSA-N 0 1 406.505 3.644 40 0 HHABMN O=C(c1ccn[nH]1)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019344358 558872981 /nfs/dbraw/zinc/87/29/81/558872981.db2.gz OBCFITWFULKOLQ-LLVKDONJSA-N 0 1 407.421 3.967 40 0 HHABMN O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3ccccc3Cl)CC2)no1 ZINC000019348893 558874596 /nfs/dbraw/zinc/87/45/96/558874596.db2.gz HNIHYVFVFOZMIR-QGZVFWFLSA-N 0 1 403.910 3.616 40 0 HHABMN O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019370387 558878539 /nfs/dbraw/zinc/87/85/39/558878539.db2.gz VWTYPWDKTDFTLR-WIOPSUGQSA-N 0 1 400.526 3.789 40 0 HHABMN O=C(Cn1c2ccccc2nc1C(F)(F)F)NCCCc1nc2ccc(F)cc2[nH]1 ZINC000019376637 558882717 /nfs/dbraw/zinc/88/27/17/558882717.db2.gz IGCUUXMPROPEQY-UHFFFAOYSA-N 0 1 419.382 3.820 40 0 HHABMN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000019400694 558883304 /nfs/dbraw/zinc/88/33/04/558883304.db2.gz FCJWSRJSGDQLJE-RBDMOPTHSA-N 0 1 415.484 3.608 40 0 HHABMN CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000019449350 558887794 /nfs/dbraw/zinc/88/77/94/558887794.db2.gz FHTSYOMPDFVFHE-QHCPKHFHSA-N 0 1 422.554 3.738 40 0 HHABMN CCC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000019499247 558897531 /nfs/dbraw/zinc/89/75/31/558897531.db2.gz KHKJKRFPQFOTBI-YWZLYKJASA-N 0 1 403.548 3.640 40 0 HHABMN CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019499868 558898020 /nfs/dbraw/zinc/89/80/20/558898020.db2.gz IISGUXOPNHOGQP-VPWFFCTISA-N 0 1 400.567 3.829 40 0 HHABMN CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019499868 558898022 /nfs/dbraw/zinc/89/80/22/558898022.db2.gz IISGUXOPNHOGQP-VPWFFCTISA-N 0 1 400.567 3.829 40 0 HHABMN CCn1c(CN2C[C@@H](c3cccc(OC)c3)[C@]3(C2)CCCC(=O)N3)nc2ccccc21 ZINC000019524316 558905453 /nfs/dbraw/zinc/90/54/53/558905453.db2.gz VSWSTBMFAAJFSI-NBGIEHNGSA-N 0 1 418.541 3.703 40 0 HHABMN CCn1cc(CN2CCC[C@H](c3cc4nc(C)cc(C(F)(F)F)c4c(=O)[nH]3)C2)cn1 ZINC000019524915 558906250 /nfs/dbraw/zinc/90/62/50/558906250.db2.gz VBICXSKGHXSTSK-HNNXBMFYSA-N 0 1 419.451 3.846 40 0 HHABMN CCOCc1cc(CN2CCC(c3noc(-c4ccc(=O)[nH]c4)n3)CC2)ccc1OC ZINC000019531127 558911664 /nfs/dbraw/zinc/91/16/64/558911664.db2.gz BPSJZGPTBVDJOA-UHFFFAOYSA-N 0 1 424.501 3.762 40 0 HHABMN COc1cccc(CN(Cc2[nH]nnc2-c2ccccc2)C[C@H]2CCCO2)c1OC ZINC000019567522 558926855 /nfs/dbraw/zinc/92/68/55/558926855.db2.gz BQOXJGQKOQEVME-LJQANCHMSA-N 0 1 408.502 3.670 40 0 HHABMN CNc1ncc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019568949 558928033 /nfs/dbraw/zinc/92/80/33/558928033.db2.gz DUSPFKBOFVSVOR-CYBMUJFWSA-N 0 1 406.412 3.761 40 0 HHABMN CNc1ncc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019568952 558928134 /nfs/dbraw/zinc/92/81/34/558928134.db2.gz DUSPFKBOFVSVOR-ZDUSSCGKSA-N 0 1 406.412 3.761 40 0 HHABMN Cc1ccc2nc([C@@H]3CCCCN3C(=O)[C@H](C)n3ncc4ccccc4c3=O)[nH]c2c1 ZINC000072346783 558943475 /nfs/dbraw/zinc/94/34/75/558943475.db2.gz MLAXUZCCCYVSCX-KKSFZXQISA-N 0 1 415.497 3.896 40 0 HHABMN Cc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)sc2CN(C)C)cc1 ZINC000019659736 558951141 /nfs/dbraw/zinc/95/11/41/558951141.db2.gz CMTBVKMLLOCIMT-MRXNPFEDSA-N 0 1 414.575 3.766 40 0 HHABMN O=C(c1ccn[nH]1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359700 558955353 /nfs/dbraw/zinc/95/53/53/558955353.db2.gz JHKGGJAMXNHGDN-CQSZACIVSA-N 0 1 401.392 3.905 40 0 HHABMN O=C(Cc1ccccn1)N1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1 ZINC000072374519 558962173 /nfs/dbraw/zinc/96/21/73/558962173.db2.gz GQWMZQOMAZAXIJ-NRFANRHFSA-N 0 1 412.497 3.871 40 0 HHABMN CCN(CC)C(=O)CN1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000072374838 558962913 /nfs/dbraw/zinc/96/29/13/558962913.db2.gz RHTYYLUQKBQPHZ-LJQANCHMSA-N 0 1 410.566 3.588 40 0 HHABMN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)n1 ZINC000072374871 558963059 /nfs/dbraw/zinc/96/30/59/558963059.db2.gz ZWQMHRTWYRHJDX-QGZVFWFLSA-N 0 1 420.492 3.881 40 0 HHABMN Cc1noc(CCC(=O)N2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)n1 ZINC000072375061 558963359 /nfs/dbraw/zinc/96/33/59/558963359.db2.gz ROHLOYNCMXQTGJ-GOSISDBHSA-N 0 1 420.517 3.867 40 0 HHABMN C[C@H](CCN1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1)c1ccccc1 ZINC000019701040 558967281 /nfs/dbraw/zinc/96/72/81/558967281.db2.gz KDKZWCLRXSWIHZ-GOSISDBHSA-N 0 1 415.541 3.541 40 0 HHABMN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2ccn[nH]2)C1 ZINC000072391089 558971127 /nfs/dbraw/zinc/97/11/27/558971127.db2.gz UDVGLQRZHIYANA-VWLOTQADSA-N 0 1 416.525 3.676 40 0 HHABMN O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2ccc(Cl)cc2)N1CCN1CCOCC1 ZINC000015105858 558987396 /nfs/dbraw/zinc/98/73/96/558987396.db2.gz JHTUWKCAYQYRBG-JOCHJYFZSA-N 0 1 422.916 3.608 40 0 HHABMN CCCN1CCN(Cc2cnc[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183558 559070319 /nfs/dbraw/zinc/07/03/19/559070319.db2.gz APVNZYMCKUXZOU-JOCHJYFZSA-N 0 1 402.542 3.990 40 0 HHABMN Cc1ccc(S(=O)(=O)N2CCC3(C2)CCN(Cc2cccc(F)c2)CC3)cc1 ZINC000096046633 559092136 /nfs/dbraw/zinc/09/21/36/559092136.db2.gz DOXCNWAQFAGDMY-UHFFFAOYSA-N 0 1 402.535 3.811 40 0 HHABMN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053467 559093423 /nfs/dbraw/zinc/09/34/23/559093423.db2.gz IPNQTFUDYADXTG-FQEVSTJZSA-N 0 1 410.562 3.580 40 0 HHABMN O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000408858863 560648255 /nfs/dbraw/zinc/64/82/55/560648255.db2.gz QLDLPVYSXOFSDI-UHFFFAOYSA-N 0 1 415.493 3.990 40 0 HHABMN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)c(Cl)c1 ZINC000006613402 560744415 /nfs/dbraw/zinc/74/44/15/560744415.db2.gz IITCXBYQYVSEQM-UHFFFAOYSA-N 0 1 402.951 3.527 40 0 HHABMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(Br)cc2)n1 ZINC000010475501 560826489 /nfs/dbraw/zinc/82/64/89/560826489.db2.gz PMJGDUPSKLCDKL-UHFFFAOYSA-N 0 1 419.304 3.974 40 0 HHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000057316226 568492219 /nfs/dbraw/zinc/49/22/19/568492219.db2.gz IRVNAYLKVAPMND-UHFFFAOYSA-N 0 1 409.530 3.775 40 0 HHABMN COCCCN1C(=O)S/C(=C\c2cc(Br)cc(Cl)c2O)C1=O ZINC000409237290 568515049 /nfs/dbraw/zinc/51/50/49/568515049.db2.gz JICGKSOSKOWSPR-WDZFZDKYSA-N 0 1 406.685 3.881 40 0 HHABMN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1C(=O)NCC(C)C ZINC000223260175 568543057 /nfs/dbraw/zinc/54/30/57/568543057.db2.gz PNYSPXNQDDYVRP-UHFFFAOYSA-N 0 1 407.561 3.517 40 0 HHABMN CN1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)CC1 ZINC000223974153 568564993 /nfs/dbraw/zinc/56/49/93/568564993.db2.gz QNMYRIHXJGEJNG-UHFFFAOYSA-N 0 1 409.603 3.632 40 0 HHABMN COc1ccccc1OCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000224532875 568583856 /nfs/dbraw/zinc/58/38/56/568583856.db2.gz MGLRZDKLYXYVOC-UHFFFAOYSA-N 0 1 402.922 3.756 40 0 HHABMN COc1ccc(OC)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)c1 ZINC000224834315 568599126 /nfs/dbraw/zinc/59/91/26/568599126.db2.gz ZSWYEDWCRMJVKA-MRXNPFEDSA-N 0 1 400.494 3.932 40 0 HHABMN CCOc1ccc([C@H](N)c2nnc(-c3ccc(OC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534628 568635873 /nfs/dbraw/zinc/63/58/73/568635873.db2.gz QOBCPRLQXNYSAW-FQEVSTJZSA-N 0 1 412.490 3.725 40 0 HHABMN O=C(c1ccccc1)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257250749 568790584 /nfs/dbraw/zinc/79/05/84/568790584.db2.gz JNWIJIQNPHVYHW-OAQYLSRUSA-N 0 1 411.889 3.898 40 0 HHABMN C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ncccc1[O-])[C@H]2Cc1ccccc1 ZINC000257251977 568790890 /nfs/dbraw/zinc/79/08/90/568790890.db2.gz JTCOIACRNOTZTN-ATMZJQGESA-N 0 1 405.542 3.876 40 0 HHABMN C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ncccc1[O-])[C@H]2Cc1ccccc1 ZINC000257251977 568790891 /nfs/dbraw/zinc/79/08/91/568790891.db2.gz JTCOIACRNOTZTN-ATMZJQGESA-N 0 1 405.542 3.876 40 0 HHABMN COc1cc(C)ccc1CN1CCO[C@@H](c2cc(CCOc3ccccc3)[nH]n2)C1 ZINC000257256533 568792082 /nfs/dbraw/zinc/79/20/82/568792082.db2.gz KLWNBJRTUFVZAY-XMMPIXPASA-N 0 1 407.514 3.922 40 0 HHABMN O=C1CO[C@@]2(CN1Cc1ccccc1)CCCN(Cc1cccc(F)c1F)CC2 ZINC000257293145 568802485 /nfs/dbraw/zinc/80/24/85/568802485.db2.gz QOIAYKAOJCSLQI-QHCPKHFHSA-N 0 1 400.469 3.749 40 0 HHABMN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccc(C(=O)[O-])cc4)[C@H]3C[C@H]21 ZINC000257313220 568808067 /nfs/dbraw/zinc/80/80/67/568808067.db2.gz URLCXQFPODQFEK-JYRKZWEQSA-N 0 1 409.482 3.982 40 0 HHABMN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4ccn[nH]4)CC3)CO[C@H]21 ZINC000257339873 568815974 /nfs/dbraw/zinc/81/59/74/568815974.db2.gz ZDNNPAVEDYQFOC-QFBILLFUSA-N 0 1 411.502 3.590 40 0 HHABMN Cn1cc(C(=O)N2CCC3(C[C@H](CN4CCC(F)(F)CC4)O3)CC2)c2ccccc21 ZINC000306133777 568895937 /nfs/dbraw/zinc/89/59/37/568895937.db2.gz MVVFOQMHYMPXKI-QGZVFWFLSA-N 0 1 417.500 3.673 40 0 HHABMN COc1ccc(CN2C[C@H]3[C@H](C2)N(Cc2ccc(OC)cc2)C(=O)c2cccn23)cc1 ZINC000306135215 568897214 /nfs/dbraw/zinc/89/72/14/568897214.db2.gz OLCAVNMLPFVOLQ-ZEQRLZLVSA-N 0 1 417.509 3.587 40 0 HHABMN CCc1ccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2csc(C)n2)cc1 ZINC000306137665 568899664 /nfs/dbraw/zinc/89/96/64/568899664.db2.gz RCTCCDNDTHMQGQ-FCHUYYIVSA-N 0 1 406.555 3.897 40 0 HHABMN Cc1nc(CN2c3ccccc3NC3(CCN(Cc4ccncc4)CC3)C2=O)cs1 ZINC000306143033 568904770 /nfs/dbraw/zinc/90/47/70/568904770.db2.gz XRJIHLSYCBCBEJ-UHFFFAOYSA-N 0 1 419.554 3.840 40 0 HHABMN Cc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329066364 568975565 /nfs/dbraw/zinc/97/55/65/568975565.db2.gz YAMHMUFPGKRNBX-QGZVFWFLSA-N 0 1 405.340 3.539 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)c(C)c1C ZINC000224287841 569056845 /nfs/dbraw/zinc/05/68/45/569056845.db2.gz DYJAYIIPYXDGFG-UHFFFAOYSA-N 0 1 403.435 3.834 40 0 HHABMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C)c2)C(=O)NC1=S ZINC000006967857 569336683 /nfs/dbraw/zinc/33/66/83/569336683.db2.gz SROTZEHPXSOXIP-NBVRZTHBSA-N 0 1 417.490 3.626 40 0 HHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000007495324 569337615 /nfs/dbraw/zinc/33/76/15/569337615.db2.gz VPFCLJILOUITSL-SFQUDFHCSA-N 0 1 417.387 3.901 40 0 HHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000008477212 569341518 /nfs/dbraw/zinc/34/15/18/569341518.db2.gz GINRNCUUGPXYBT-DEDYPNTBSA-N 0 1 408.429 3.809 40 0 HHABMN CN(C)CCNc1nc(-c2ccncc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329069053 571304623 /nfs/dbraw/zinc/30/46/23/571304623.db2.gz YULHHVLBYANPNW-UHFFFAOYSA-N 0 1 418.332 4.258 40 0 HHABMN CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2OC)nc(C)n1 ZINC000008622887 291249537 /nfs/dbraw/zinc/24/95/37/291249537.db2.gz DXVNXESSWCDUHO-NSHGMRRFSA-N 0 1 424.545 3.775 40 0 biogenic,in-vitro HHABMN COCCOc1cc(-c2noc([C@@H]3CCCN3Cc3c[nH]c4ccccc34)n2)ccn1 ZINC000035424786 291251576 /nfs/dbraw/zinc/25/15/76/291251576.db2.gz DYZSRFGOEFOUNS-FQEVSTJZSA-N 0 1 419.485 3.975 40 0 biogenic,in-vitro HHABMN COc1ccc2nc(CO[C@H]3CN(Cc4cn(C)c5ccccc45)C[C@H]3F)[nH]c2c1 ZINC000096112270 291255638 /nfs/dbraw/zinc/25/56/38/291255638.db2.gz QTWWQCCDBRESBK-GCJKJVERSA-N 0 1 408.477 3.802 40 0 biogenic,in-vitro HHABMN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)c3ccc(F)cc3)n2)cc1 ZINC000015675790 291257056 /nfs/dbraw/zinc/25/70/56/291257056.db2.gz NCVLTLFXAOSCEB-IBGZPJMESA-N 0 1 403.417 3.847 40 0 biogenic,in-vitro HHABMN O=C(c1ccn[nH]1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359023 526650425 /nfs/dbraw/zinc/65/04/25/526650425.db2.gz PKEGJTDPAAFARC-CQSZACIVSA-N 0 1 401.392 3.905 40 0 HHABMN O=C([O-])CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000408612360 557530361 /nfs/dbraw/zinc/53/03/61/557530361.db2.gz VOVMPQKBJSVGGS-IBGZPJMESA-N 0 1 404.869 3.843 40 0 HHABMN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000012147605 558338340 /nfs/dbraw/zinc/33/83/40/558338340.db2.gz AJEBYTSZBBUEIL-UHFFFAOYSA-N 0 1 406.505 3.698 40 0 HHABMN Cc1nnc(SCc2cc(=O)[nH]c(NC(=N)Nc3cccc4ccccc43)n2)s1 ZINC000020477895 558374441 /nfs/dbraw/zinc/37/44/41/558374441.db2.gz TZYBOLIWFAHOCG-UHFFFAOYSA-N 0 1 423.527 3.834 40 0 HHABMN O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014788 558836850 /nfs/dbraw/zinc/83/68/50/558836850.db2.gz SDZPFXKSEVZQKX-OAQYLSRUSA-N 0 1 412.578 3.562 40 0 HHABMN O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014788 558836852 /nfs/dbraw/zinc/83/68/52/558836852.db2.gz SDZPFXKSEVZQKX-OAQYLSRUSA-N 0 1 412.578 3.562 40 0 HHABMN Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)CC1)O2 ZINC000019218178 558851019 /nfs/dbraw/zinc/85/10/19/558851019.db2.gz QYHIYUOAQJDUAX-UHFFFAOYSA-N 0 1 421.472 3.970 40 0 HHABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)Cc2ccccc2F)CC1 ZINC000019288912 558861719 /nfs/dbraw/zinc/86/17/19/558861719.db2.gz DGMGZQAWKAEMBT-UHFFFAOYSA-N 0 1 424.495 3.689 40 0 HHABMN O=c1cc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2cnccn2)[nH]1 ZINC000019292896 558864734 /nfs/dbraw/zinc/86/47/34/558864734.db2.gz IJHLTRMINBBYHH-AWEZNQCLSA-N 0 1 416.312 3.913 40 0 HHABMN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000019497332 558896132 /nfs/dbraw/zinc/89/61/32/558896132.db2.gz CVWXBAAMDBGOQY-IYBDPMFKSA-N 0 1 416.953 3.692 40 0 HHABMN COc1cccc2ccc(CN3CCC[C@H](c4cc(C(=O)NC5CC5)on4)C3)nc21 ZINC000019568448 558927557 /nfs/dbraw/zinc/92/75/57/558927557.db2.gz UPWUWHQVPNJQQB-INIZCTEOSA-N 0 1 406.486 3.503 40 0 HHABMN CCn1cncc1CN1CCC([C@@H](NC(=O)c2ccccc2C)c2ccccn2)CC1 ZINC000019578597 558934342 /nfs/dbraw/zinc/93/43/42/558934342.db2.gz IZLYTZYXAAEDCJ-XMMPIXPASA-N 0 1 417.557 3.990 40 0 HHABMN CCc1ncc(CN2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)cn1 ZINC000072340798 558939307 /nfs/dbraw/zinc/93/93/07/558939307.db2.gz PLXCTSQSLZIISB-UHFFFAOYSA-N 0 1 404.440 3.789 40 0 HHABMN COc1ccccc1CN1CCN(C)C(=O)[C@@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019589649 558940434 /nfs/dbraw/zinc/94/04/34/558940434.db2.gz PQKIAKZUKXDMHE-QHCPKHFHSA-N 0 1 415.537 3.890 40 0 HHABMN Cc1ccc2nc([C@H]3CCCCN3C(=O)[C@H](C)n3ncc4ccccc4c3=O)[nH]c2c1 ZINC000072346784 558943559 /nfs/dbraw/zinc/94/35/59/558943559.db2.gz MLAXUZCCCYVSCX-HRAATJIYSA-N 0 1 415.497 3.896 40 0 HHABMN COc1ccccc1Cc1cccc(C2CCN(CC(=O)N3CCCCC3)CC2)n1 ZINC000072348715 558945514 /nfs/dbraw/zinc/94/55/14/558945514.db2.gz QOSHJBHNLVYLFK-UHFFFAOYSA-N 0 1 407.558 3.873 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2nc3cc(Cl)ccc3n2C)cc1 ZINC000019663180 558953998 /nfs/dbraw/zinc/95/39/98/558953998.db2.gz BECUMNDUACGGQN-FQEVSTJZSA-N 0 1 421.888 3.746 40 0 HHABMN COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2Cc2cnn(C)c2C)cc1 ZINC000019694320 558962771 /nfs/dbraw/zinc/96/27/71/558962771.db2.gz YCUIMFJHONWQLZ-JOCHJYFZSA-N 0 1 420.561 3.987 40 0 HHABMN Cc1noc(C)c1COc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1 ZINC000585268692 559112995 /nfs/dbraw/zinc/11/29/95/559112995.db2.gz UJPJOPZGFPEFSS-ZEQRLZLVSA-N 0 1 408.498 3.803 40 0 HHABMN COC1(COc2cccc(Cl)c2)CCN(CC(=O)NCc2ccccc2)CC1 ZINC000585272987 559117195 /nfs/dbraw/zinc/11/71/95/559117195.db2.gz MADBMDPXFUYNQY-UHFFFAOYSA-N 0 1 402.922 3.516 40 0 HHABMN CC(=O)c1cccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000001327496 560573479 /nfs/dbraw/zinc/57/34/79/560573479.db2.gz JNVXYLMLOLQIGO-UHFFFAOYSA-N 0 1 417.918 3.987 40 0 HHABMN O=c1/c(=C/c2cc(Cl)cc(Br)c2O)sc2nc3ccccc3n12 ZINC000408902805 560652366 /nfs/dbraw/zinc/65/23/66/560652366.db2.gz LLDBHUJTBNELIN-MLPAPPSSSA-N 0 1 407.676 3.578 40 0 HHABMN COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1cccc(C)c1 ZINC000409056922 560670356 /nfs/dbraw/zinc/67/03/56/560670356.db2.gz NNZNQMUNOPAIHK-VIZOYTHASA-N 0 1 417.259 3.525 40 0 HHABMN O=C1N/C(=C/c2cc(Cl)cc(Br)c2O)C(=O)N1Cc1ccccc1 ZINC000409242313 560702621 /nfs/dbraw/zinc/70/26/21/560702621.db2.gz QLXZRCRQNJRLIO-VGOFMYFVSA-N 0 1 407.651 3.901 40 0 HHABMN CC(=O)Nc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000006293811 560741480 /nfs/dbraw/zinc/74/14/80/560741480.db2.gz RJTISIZLBKGKJX-UHFFFAOYSA-N 0 1 409.467 3.698 40 0 HHABMN COc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1Cl ZINC000007428346 560750965 /nfs/dbraw/zinc/75/09/65/560750965.db2.gz UQYNXZSANYMNTA-UHFFFAOYSA-N 0 1 406.685 3.921 40 0 HHABMN CCOC(=O)C(=C(C)O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 ZINC000102431384 560811148 /nfs/dbraw/zinc/81/11/48/560811148.db2.gz NVKXUZJSNZMVJE-BENRWUELSA-N 0 1 401.893 3.790 40 0 HHABMN Cc1nc(-c2ccco2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)n1 ZINC000015672584 565104593 /nfs/dbraw/zinc/10/45/93/565104593.db2.gz UHQFSNMBHJNKRF-ZCNNSNEGSA-N 0 1 402.498 3.653 40 0 biogenic,in-vitro HHABMN Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)n1 ZINC000015672584 565104600 /nfs/dbraw/zinc/10/46/00/565104600.db2.gz UHQFSNMBHJNKRF-ZCNNSNEGSA-N 0 1 402.498 3.653 40 0 biogenic,in-vitro HHABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NC(C)(C)CC(C)(C)C)s2)c1 ZINC000225109713 568614918 /nfs/dbraw/zinc/61/49/18/568614918.db2.gz SSTVPSNLOUHVOB-UHFFFAOYSA-N 0 1 410.565 3.592 40 0 HHABMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000225240289 568625182 /nfs/dbraw/zinc/62/51/82/568625182.db2.gz KFDUJKYBUSBBIB-UHFFFAOYSA-N 0 1 422.528 3.590 40 0 HHABMN CCCCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225317081 568629540 /nfs/dbraw/zinc/62/95/40/568629540.db2.gz FYPXLNJRTABDFP-UHFFFAOYSA-N 0 1 423.347 3.566 40 0 HHABMN CCn1c2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2sc1=O ZINC000225688816 568664409 /nfs/dbraw/zinc/66/44/09/568664409.db2.gz JJEGCXGYKFDVIS-UHFFFAOYSA-N 0 1 402.419 3.903 40 0 HHABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1cc(-c2ccc(F)cc2)on1 ZINC000225900352 568684477 /nfs/dbraw/zinc/68/44/77/568684477.db2.gz WTVFCZLZABLHBJ-UHFFFAOYSA-N 0 1 409.446 3.788 40 0 HHABMN COc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3c3ccc4c(N)[nH]nc4n3)no2)c1 ZINC000257225272 568783494 /nfs/dbraw/zinc/78/34/94/568783494.db2.gz FFOBUCNKYWBZSL-GOSISDBHSA-N 0 1 418.457 3.571 40 0 HHABMN Cc1cccnc1Nc1cccc(C2CCN(CC(=O)N3CCC(C)CC3)CC2)n1 ZINC000257273665 568796832 /nfs/dbraw/zinc/79/68/32/568796832.db2.gz NHQGAXADZNDZAK-UHFFFAOYSA-N 0 1 407.562 3.967 40 0 HHABMN Cc1ncsc1CN1CCC[C@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 ZINC000257281399 568798881 /nfs/dbraw/zinc/79/88/81/568798881.db2.gz OOZGAOPUARDUKY-AWEZNQCLSA-N 0 1 401.561 3.682 40 0 HHABMN COCCc1ncc(CN2CCC(c3cccc(Nc4cccc(C)n4)n3)CC2)cn1 ZINC000257281535 568798915 /nfs/dbraw/zinc/79/89/15/568798915.db2.gz OPQVWKNNVPTAOF-UHFFFAOYSA-N 0 1 418.545 3.887 40 0 HHABMN O=C(CCCc1ccccn1)N1CCC[C@@H](c2[nH]ncc2C(=O)N2CCCCCC2)C1 ZINC000257283106 568799273 /nfs/dbraw/zinc/79/92/73/568799273.db2.gz OWUFEDQLAXUDRN-LJQANCHMSA-N 0 1 423.561 3.550 40 0 HHABMN Cc1nn(C)cc1C(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 ZINC000257316363 568809271 /nfs/dbraw/zinc/80/92/71/568809271.db2.gz VFFVHYLIHHTOTG-UHFFFAOYSA-N 0 1 408.481 3.729 40 0 HHABMN C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4ncccc4[O-])[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257321597 568810785 /nfs/dbraw/zinc/81/07/85/568810785.db2.gz WCIFUUNCCVOYIV-IOLIHYBQSA-N 0 1 405.542 3.876 40 0 HHABMN C[N@@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)c4ncccc4[O-])[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257321597 568810788 /nfs/dbraw/zinc/81/07/88/568810788.db2.gz WCIFUUNCCVOYIV-IOLIHYBQSA-N 0 1 405.542 3.876 40 0 HHABMN CC(C)c1nc2c(s1)CN(C(=O)N(C)C)CC21CCN(Cc2cccnc2)CC1 ZINC000306127656 568890513 /nfs/dbraw/zinc/89/05/13/568890513.db2.gz GEFFUPPSGPXCRC-UHFFFAOYSA-N 0 1 413.591 3.693 40 0 HHABMN O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccncc1)CC2 ZINC000306128065 568891065 /nfs/dbraw/zinc/89/10/65/568891065.db2.gz GPCSSGNBNNXFOC-UHFFFAOYSA-N 0 1 419.550 3.923 40 0 HHABMN COc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5cnn(C)c5)C4)nn3c2)c1 ZINC000306142228 568903790 /nfs/dbraw/zinc/90/37/90/568903790.db2.gz WUDCRDMDSMIILJ-FQEVSTJZSA-N 0 1 402.502 3.518 40 0 HHABMN Cc1cc(C)cc(CN2CCN(C)[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306143836 568905241 /nfs/dbraw/zinc/90/52/41/568905241.db2.gz YNTUYJORKKYCFO-XMMPIXPASA-N 0 1 412.541 3.897 40 0 HHABMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1ccccc1Br ZINC000010475603 568969029 /nfs/dbraw/zinc/96/90/29/568969029.db2.gz QQECJWFNUUNTGD-UHFFFAOYSA-N 0 1 403.305 3.889 40 0 HHABMN CC(C)c1nc(NCCCO)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329030782 568973794 /nfs/dbraw/zinc/97/37/94/568973794.db2.gz QGNNXVXFGWLPEL-UHFFFAOYSA-N 0 1 405.340 3.720 40 0 HHABMN COc1ccccc1N1CCN(C[C@@H](O)CCO[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)CC1 ZINC000028295543 569026506 /nfs/dbraw/zinc/02/65/06/569026506.db2.gz JRQXNTBMVRMIHL-VRKOAZSQSA-N 0 1 416.606 3.800 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1)[C@H]1CCCO1 ZINC000247470276 569315377 /nfs/dbraw/zinc/31/53/77/569315377.db2.gz FCJWSRJSGDQLJE-WEYGHZABSA-N 0 1 415.484 3.608 40 0 HHABMN COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000006441082 569332398 /nfs/dbraw/zinc/33/23/98/569332398.db2.gz JWUZJTYMJGPLLA-UHFFFAOYSA-N 0 1 402.863 3.643 40 0 HHABMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C)cc2)C(=O)NC1=S ZINC000006966522 569336554 /nfs/dbraw/zinc/33/65/54/569336554.db2.gz FDGHZBMSUYENEL-NBVRZTHBSA-N 0 1 417.490 3.626 40 0 HHABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Cl)n2)c1 ZINC000007610302 569337975 /nfs/dbraw/zinc/33/79/75/569337975.db2.gz FEUCYHLAUBKQLN-UHFFFAOYSA-N 0 1 401.879 3.814 40 0 HHABMN CC(=O)N1CCC[C@H]1c1nc(CN(C)C/C(C)=C/c2ccccc2)cc(N(C)C)n1 ZINC000019709819 569348148 /nfs/dbraw/zinc/34/81/48/569348148.db2.gz PPYVVCCNIUSNBB-RRXSNJIPSA-N 0 1 407.562 3.761 40 0 HHABMN COc1ccc(CC2=CN(C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 ZINC000020459283 571314605 /nfs/dbraw/zinc/31/46/05/571314605.db2.gz VQUIKZIRRSKCMH-HSZRJFAPSA-N 0 1 415.493 3.838 40 0 HHABMN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)NC3CCCCC3)n2)cc1 ZINC000015675987 291254318 /nfs/dbraw/zinc/25/43/18/291254318.db2.gz HVDCUDILOLIJHA-IBGZPJMESA-N 0 1 422.489 3.610 40 0 biogenic,in-vitro HHABMN O=C(c1ccccc1)N1C[C@@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000096112049 291259589 /nfs/dbraw/zinc/25/95/89/291259589.db2.gz KRGCAWPMLYLGIH-PBHICJAKSA-N 0 1 407.367 3.961 40 0 biogenic,in-vitro HHABMN COc1cc2cc3[nH]cc(S(=O)(=O)Nc4ccc(C(C)C)cc4)n3c2cc1OC ZINC000032611950 523019240 /nfs/dbraw/zinc/01/92/40/523019240.db2.gz YPKPKRYEGGNPRG-UHFFFAOYSA-N 0 1 413.499 3.718 40 0 HHABMN COC(=O)c1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000408547804 557370451 /nfs/dbraw/zinc/37/04/51/557370451.db2.gz NFFUYOZTAGIJFA-UHFFFAOYSA-N 0 1 424.478 3.835 40 0 HHABMN CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000408548198 557370765 /nfs/dbraw/zinc/37/07/65/557370765.db2.gz QJKZPIWWMSHTCQ-UHFFFAOYSA-N 0 1 424.950 3.914 40 0 HHABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2Cl)cc1 ZINC000408546239 557382473 /nfs/dbraw/zinc/38/24/73/557382473.db2.gz CZKKPWFFZMQURA-UHFFFAOYSA-N 0 1 424.950 3.994 40 0 HHABMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2OCC)ccc1OCC ZINC000408588717 557494552 /nfs/dbraw/zinc/49/45/52/557494552.db2.gz YBBNPTHKHVBUQZ-UHFFFAOYSA-N 0 1 408.476 3.853 40 0 HHABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408592999 557506746 /nfs/dbraw/zinc/50/67/46/557506746.db2.gz LMONXBMTFLWFSI-UHFFFAOYSA-N 0 1 411.911 3.927 40 0 HHABMN CCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1OC ZINC000408698060 557714591 /nfs/dbraw/zinc/71/45/91/557714591.db2.gz NEKHYUOYYTXQEU-UHFFFAOYSA-N 0 1 402.394 3.863 40 0 HHABMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012116515 558328623 /nfs/dbraw/zinc/32/86/23/558328623.db2.gz MIPQQALXMQANOG-AWEZNQCLSA-N 0 1 409.467 3.602 40 0 HHABMN Cc1cc(CN2CCC3(CC2)NC(=O)c2ccccc2O3)c(C)n1-c1cccnc1 ZINC000012146026 558337525 /nfs/dbraw/zinc/33/75/25/558337525.db2.gz XFWPLARCOPZWBD-UHFFFAOYSA-N 0 1 402.498 3.604 40 0 HHABMN CCOc1cc(C[N@H+]2CC[C@@H](c3cc4nc(C)c(CC)c(=O)n4[n-]3)C2)ccc1OC ZINC000012276379 558364217 /nfs/dbraw/zinc/36/42/17/558364217.db2.gz SWZFHOMWXQLCPW-QGZVFWFLSA-N 0 1 410.518 3.703 40 0 HHABMN CCOc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)OCO2 ZINC000012292810 558365951 /nfs/dbraw/zinc/36/59/51/558365951.db2.gz PPTSLODYQPYWSZ-UHFFFAOYSA-N 0 1 414.477 3.581 40 0 HHABMN CCC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000012365817 558388180 /nfs/dbraw/zinc/38/81/80/558388180.db2.gz HGXGWBLBQOCZFZ-OXJNMPFZSA-N 0 1 403.548 3.640 40 0 HHABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000015437512 558740003 /nfs/dbraw/zinc/74/00/03/558740003.db2.gz LBHVSDUJEMKSIE-UHFFFAOYSA-N 0 1 400.431 3.887 40 0 HHABMN O=c1nc2[nH]cccc-2c(O)c1[C@@H]1c2ccccc2Oc2c3cccnc3[nH]c(=O)c21 ZINC000016524567 558795152 /nfs/dbraw/zinc/79/51/52/558795152.db2.gz WZBXFJVWFYIZNJ-HNNXBMFYSA-N 0 1 410.389 3.563 40 0 HHABMN CC[C@H]1c2ccsc2CCN1Cc1ccc(OCCN2CCOCC2)c(OC)c1 ZINC000036741533 558802262 /nfs/dbraw/zinc/80/22/62/558802262.db2.gz QJUNHDBMSPINDY-FQEVSTJZSA-N 0 1 416.587 3.977 40 0 HHABMN O=C(CC1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019014723 558836774 /nfs/dbraw/zinc/83/67/74/558836774.db2.gz LDUOVGMYCPYIAO-GOSISDBHSA-N 0 1 412.578 3.769 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000019214184 558849639 /nfs/dbraw/zinc/84/96/39/558849639.db2.gz KJZNWLQBONPHRN-UZUQRXQVSA-N 0 1 405.498 3.977 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)n2c(C)nc3ccccc32)cc1 ZINC000019286661 558860587 /nfs/dbraw/zinc/86/05/87/558860587.db2.gz BFUFAXITLCNFKI-IQMFZBJNSA-N 0 1 415.497 3.812 40 0 HHABMN O=C(C1CCCC1)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)C[N@H+](C1CCCC1)CC3 ZINC000019292129 558864322 /nfs/dbraw/zinc/86/43/22/558864322.db2.gz DDYPWIFKQRGTFP-NRFANRHFSA-N 0 1 423.561 3.589 40 0 HHABMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000057992191 558893050 /nfs/dbraw/zinc/89/30/50/558893050.db2.gz XELZJZRNKWSHBN-YGHRGLEHSA-N 0 1 411.889 3.619 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000019502695 558900159 /nfs/dbraw/zinc/90/01/59/558900159.db2.gz CVEVGRKLCLJBTI-JOCHJYFZSA-N 0 1 416.525 3.630 40 0 HHABMN CCc1c(C)nc2cc(-c3cc(C)oc3C)nn2c1N1CCC(N2CCOCC2)CC1 ZINC000019521627 558902862 /nfs/dbraw/zinc/90/28/62/558902862.db2.gz YPDVODMHRHUTRU-UHFFFAOYSA-N 0 1 423.561 3.778 40 0 HHABMN CCN1CCN(Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527446 558908557 /nfs/dbraw/zinc/90/85/57/558908557.db2.gz YGYXVRBLTZORCY-XMMPIXPASA-N 0 1 414.553 3.975 40 0 HHABMN CCN1CCN(Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527447 558908592 /nfs/dbraw/zinc/90/85/92/558908592.db2.gz YGYXVRBLTZORCY-DEOSSOPVSA-N 0 1 414.553 3.975 40 0 HHABMN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000019553967 558917022 /nfs/dbraw/zinc/91/70/22/558917022.db2.gz JAKOLGSQPJGUKP-ZEQRLZLVSA-N 0 1 416.525 3.730 40 0 HHABMN COc1ccc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4ccccn4)n3)CC2)cc1OC ZINC000019560882 558921642 /nfs/dbraw/zinc/92/16/42/558921642.db2.gz NUZLGXKVIIZUQV-UHFFFAOYSA-N 0 1 406.486 3.641 40 0 HHABMN Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1CN1CCN(C)CC1 ZINC000019561057 558921963 /nfs/dbraw/zinc/92/19/63/558921963.db2.gz ADORMTFOFIIIAI-UHFFFAOYSA-N 0 1 407.543 3.513 40 0 HHABMN COCCCN(Cc1c(-c2ccc(F)cc2)nc2ncccn12)Cc1ccccn1 ZINC000019593271 558944310 /nfs/dbraw/zinc/94/43/10/558944310.db2.gz WOYZBWMHHYEDJY-UHFFFAOYSA-N 0 1 405.477 3.969 40 0 HHABMN O=C(c1cc([C@H]2CN(CC3CCCCC3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352689 558949344 /nfs/dbraw/zinc/94/93/44/558949344.db2.gz YMKVSWPKJBKKAS-XMMPIXPASA-N 0 1 423.557 3.661 40 0 HHABMN Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)c2ccn[nH]2)n1 ZINC000072377119 558966533 /nfs/dbraw/zinc/96/65/33/558966533.db2.gz IBLYXNKAPJXAER-INIZCTEOSA-N 0 1 416.407 3.835 40 0 HHABMN O=C(c1cnccn1)N1CCC[C@@H](c2[nH]ncc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000072380305 558968496 /nfs/dbraw/zinc/96/84/96/558968496.db2.gz LRPMBFVESXCIHU-CQSZACIVSA-N 0 1 401.392 3.905 40 0 HHABMN Cn1cc(CN2CCC[C@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2cc(F)ccc21 ZINC000019708783 558971238 /nfs/dbraw/zinc/97/12/38/558971238.db2.gz KJAYKZXWHGEDEH-QHCPKHFHSA-N 0 1 422.504 3.522 40 0 HHABMN CN1CCCN(C(=O)c2cc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1 ZINC000096154908 559099295 /nfs/dbraw/zinc/09/92/95/559099295.db2.gz KWGWLMYBZYBOHV-UHFFFAOYSA-N 0 1 413.525 3.629 40 0 HHABMN Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)C=Cc3c[nH]cn3)C2)n1 ZINC000585291041 559123505 /nfs/dbraw/zinc/12/35/05/559123505.db2.gz IFLGSKQTNLBICQ-LKGOPFMKSA-N 0 1 402.502 3.980 40 0 HHABMN CCC(CC)C(=O)N1CCc2nc3cc([C@@H]4CCCC[N@H+]4C(C)C)[n-]n3c(=O)c2C1 ZINC000100233728 559132703 /nfs/dbraw/zinc/13/27/03/559132703.db2.gz HGDSHPMVJQOJJF-FQEVSTJZSA-N 0 1 413.566 3.691 40 0 HHABMN COc1cccc(-c2cccc(CC3(C(=O)N[C@H]4CCCN(C)C4)CCOCC3)c2)c1 ZINC000257252096 559284590 /nfs/dbraw/zinc/28/45/90/559284590.db2.gz JTOBWSBVOUIJRU-QHCPKHFHSA-N 0 1 422.569 3.912 40 0 HHABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCOC(C)C)ccc1Cl ZINC000409410712 560721368 /nfs/dbraw/zinc/72/13/68/560721368.db2.gz ORFORYWPFMMAEG-UHFFFAOYSA-N 0 1 424.950 3.994 40 0 HHABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccccn2)ccc1Cl ZINC000409411880 560721684 /nfs/dbraw/zinc/72/16/84/560721684.db2.gz MTHJAAJPJRPGPK-UHFFFAOYSA-N 0 1 415.902 3.774 40 0 HHABMN O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2n[nH]cc2Br)CC1 ZINC000057731301 568496447 /nfs/dbraw/zinc/49/64/47/568496447.db2.gz WOABNLOVJPVKFW-UHFFFAOYSA-N 0 1 419.304 3.517 40 0 HHABMN COc1ccc(CN(CCN2CCOCC2)Cc2cccnc2)c2c(OC)cccc12 ZINC000022931479 568500862 /nfs/dbraw/zinc/50/08/62/568500862.db2.gz SLBBTVHEMQASAB-UHFFFAOYSA-N 0 1 421.541 3.586 40 0 HHABMN O=C(NCc1nc(-c2cccs2)no1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222596396 568519783 /nfs/dbraw/zinc/51/97/83/568519783.db2.gz JQMKVCSFPPIZPV-OAHLLOKOSA-N 0 1 416.934 3.980 40 0 HHABMN O=C(NCC1(c2ccccc2)CCOCC1)C1CCN(Cc2ccccc2F)CC1 ZINC000224359102 568579136 /nfs/dbraw/zinc/57/91/36/568579136.db2.gz FENNJDISGMKULZ-UHFFFAOYSA-N 0 1 410.533 3.902 40 0 HHABMN COc1cccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000224534904 568583969 /nfs/dbraw/zinc/58/39/69/568583969.db2.gz ADVNGNXKAIRHLF-UHFFFAOYSA-N 0 1 402.922 3.756 40 0 HHABMN CCCC[C@@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000225120838 568615554 /nfs/dbraw/zinc/61/55/54/568615554.db2.gz NDZAECZAHZCMOC-CQSZACIVSA-N 0 1 410.565 3.594 40 0 HHABMN CCCC[C@@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000225120640 568615602 /nfs/dbraw/zinc/61/56/02/568615602.db2.gz NCNOUQYJMYAJSN-CQSZACIVSA-N 0 1 410.565 3.594 40 0 HHABMN COC(=O)c1c2c(sc1NS(=O)(=O)c1c(C)cc(OC)cc1C)CCCC2 ZINC000225382778 568633063 /nfs/dbraw/zinc/63/30/63/568633063.db2.gz RATJPOJVITZFCV-UHFFFAOYSA-N 0 1 409.529 3.840 40 0 HHABMN c1cn2cc(C[C@H]3COCCN(Cc4ccccc4OC4CCCC4)C3)ncc2n1 ZINC000257207957 568778358 /nfs/dbraw/zinc/77/83/58/568778358.db2.gz BKBOKDKDTGILFO-LJQANCHMSA-N 0 1 406.530 3.742 40 0 HHABMN Cc1noc(C)c1CC(=O)N1CC[C@H](c2cc(Nc3ccc(F)cn3)cc(C)n2)C1 ZINC000257235328 568786282 /nfs/dbraw/zinc/78/62/82/568786282.db2.gz GXISRDRMOBWZMO-INIZCTEOSA-N 0 1 409.465 3.831 40 0 HHABMN Cc1cc(C)nc(N2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)n1 ZINC000257277420 568797764 /nfs/dbraw/zinc/79/77/64/568797764.db2.gz NXWTZDZEPHGMLJ-HXUWFJFHSA-N 0 1 413.909 3.669 40 0 HHABMN COc1cccc(OCCc2cc([C@H]3CN(Cc4cccc(C)c4)CCO3)n[nH]2)c1 ZINC000257283182 568799322 /nfs/dbraw/zinc/79/93/22/568799322.db2.gz OXCAFXJFFHJHSM-XMMPIXPASA-N 0 1 407.514 3.922 40 0 HHABMN CC(=O)N1CC[C@@H]2[C@@H](C1)CCCC[N@H+]2Cc1cc(C(C)(C)C)ccc1OCC(=O)[O-] ZINC000257291565 568802076 /nfs/dbraw/zinc/80/20/76/568802076.db2.gz QHOIHSUFJRAXKA-WIYYLYMNSA-N 0 1 416.562 3.670 40 0 HHABMN O=C(C[C@H]1C=CCC1)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000257303231 568805390 /nfs/dbraw/zinc/80/53/90/568805390.db2.gz SGHBOSNHCWIIII-SFHVURJKSA-N 0 1 418.541 3.671 40 0 HHABMN CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3C[N@@H+](CCCC(=O)[O-])CC[C@@H]3O[C@H]21 ZINC000257309559 568807387 /nfs/dbraw/zinc/80/73/87/568807387.db2.gz UBKJBSKOZOTRPR-QUJKESNLSA-N 0 1 403.519 3.889 40 0 HHABMN CC(C)n1cc(CN2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 ZINC000306126133 568888793 /nfs/dbraw/zinc/88/87/93/568888793.db2.gz DOAAEQCEJFVTAA-OAQYLSRUSA-N 0 1 401.518 3.948 40 0 HHABMN COc1ncccc1CN1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306131514 568893632 /nfs/dbraw/zinc/89/36/32/568893632.db2.gz KHFBAYRNLYXHHV-IBGZPJMESA-N 0 1 400.486 3.575 40 0 HHABMN CCc1cc(N2CCc3cc(Br)ccc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329040320 568974154 /nfs/dbraw/zinc/97/41/54/568974154.db2.gz SDIOMAWXYVJPIF-GOSISDBHSA-N 0 1 419.367 3.793 40 0 HHABMN CN(C)c1nc(N2CCCC2)ncc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000224343614 569059421 /nfs/dbraw/zinc/05/94/21/569059421.db2.gz XWPVYCPGBZTMBO-UHFFFAOYSA-N 0 1 423.542 3.611 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)[C@H]1CCCO1 ZINC000247469369 569315347 /nfs/dbraw/zinc/31/53/47/569315347.db2.gz DWHQBTCVRJYDIW-WTOYTKOKSA-N 0 1 415.484 3.608 40 0 HHABMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000006228585 569330119 /nfs/dbraw/zinc/33/01/19/569330119.db2.gz LLUHBGOYFSGADT-CPNJWEJPSA-N 0 1 402.406 3.521 40 0 HHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000008477425 569341524 /nfs/dbraw/zinc/34/15/24/569341524.db2.gz HVGJTLLUSLZLBG-CPNJWEJPSA-N 0 1 408.429 3.809 40 0 HHABMN Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)cc1[N+](=O)[O-] ZINC000008477277 569341528 /nfs/dbraw/zinc/34/15/28/569341528.db2.gz UQIFMZQBMGIGRJ-LFIBNONCSA-N 0 1 409.398 3.568 40 0 HHABMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1 ZINC000008477176 569341575 /nfs/dbraw/zinc/34/15/75/569341575.db2.gz VUEXMCHENSBJIG-CPNJWEJPSA-N 0 1 420.465 3.679 40 0 HHABMN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000012157783 569344658 /nfs/dbraw/zinc/34/46/58/569344658.db2.gz NEVQXBZFGBLFPC-WIYYLYMNSA-N 0 1 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557828222 /nfs/dbraw/zinc/82/82/22/557828222.db2.gz YFJSKVNYCWMRGP-UHFFFAOYSA-N 0 1 402.863 3.643 40 0 HHABMN Cc1nc(C2CCN(Cc3ccncc3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019752942 558272174 /nfs/dbraw/zinc/27/21/74/558272174.db2.gz VDHQTWUHMSFDER-UHFFFAOYSA-N 0 1 414.557 3.907 40 0 HHABMN COc1ccc(CN(Cc2[nH]nnc2-c2ccccc2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012116780 558328484 /nfs/dbraw/zinc/32/84/84/558328484.db2.gz AGLYFQSBRMZGIB-FQEVSTJZSA-N 0 1 408.502 3.670 40 0 HHABMN Cc1nn(-c2ccccc2C)c(C)c1CN(Cc1ccc2c(c1)OCO2)C[C@H](C)O ZINC000012185788 558345163 /nfs/dbraw/zinc/34/51/63/558345163.db2.gz XHABJUQWILDQGN-KRWDZBQOSA-N 0 1 407.514 3.909 40 0 HHABMN COc1ccc2c(c1)CN(C(C)=O)C[C@@H]([C@H]1CCCN(Cc3ccccc3F)C1)O2 ZINC000012407700 558398690 /nfs/dbraw/zinc/39/86/90/558398690.db2.gz CVVADQOJEXTCJE-CYFREDJKSA-N 0 1 412.505 3.856 40 0 HHABMN O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccccc1 ZINC000038172895 558638405 /nfs/dbraw/zinc/63/84/05/558638405.db2.gz YGYTVDXRGAHCSC-UHFFFAOYSA-N 0 1 405.277 3.671 40 0 HHABMN 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CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)CC1 ZINC000064875444 569390501 /nfs/dbraw/zinc/39/05/01/569390501.db2.gz HWVJDAXVKLKRLC-UHFFFAOYSA-N 0 1 411.428 3.543 40 0 HHABMN CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(C2CC2)n1 ZINC000328957887 571306036 /nfs/dbraw/zinc/30/60/36/571306036.db2.gz ALZPWTKRKYEOBX-QGZVFWFLSA-N 0 1 405.340 4.157 40 0 HHABMN CCCNC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635312 291249526 /nfs/dbraw/zinc/24/95/26/291249526.db2.gz JENOSBWVRULIQQ-UHOSZYNNSA-N 0 1 400.498 3.540 40 0 biogenic,in-vitro HHABMN COc1ccc(C(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675784 291254510 /nfs/dbraw/zinc/25/45/10/291254510.db2.gz GZWMYJMRDUQZEP-FQEVSTJZSA-N 0 1 415.453 3.717 40 0 biogenic,in-vitro HHABMN Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)NC3CCCCC3)n2)cc1 ZINC000015675806 291257028 /nfs/dbraw/zinc/25/70/28/291257028.db2.gz VSLXITSPSZZEPF-IBGZPJMESA-N 0 1 406.490 3.910 40 0 biogenic,in-vitro HHABMN O=C(Nc1cccc(F)c1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707178 291259209 /nfs/dbraw/zinc/25/92/09/291259209.db2.gz ZHFCJNNTNKIBKN-SFHVURJKSA-N 0 1 404.405 3.930 40 0 biogenic,in-vitro HHABMN O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@@H](c2n[nH]c(-c3cccnc3)n2)C1 ZINC000012088521 132353591 /nfs/dbraw/zinc/35/35/91/132353591.db2.gz YIFCWZGHWOJGJI-HXUWFJFHSA-N 0 1 416.529 3.877 40 0 HHABMN O=C(Cc1ccccn1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371341 527296442 /nfs/dbraw/zinc/29/64/42/527296442.db2.gz GABQTODQOWFYKB-MRXNPFEDSA-N 0 1 410.905 3.638 40 0 HHABMN O=C([O-])C1(c2ccccc2)CC[NH+](CC(=O)c2ccc(Br)cc2)CC1 ZINC000408546678 557369944 /nfs/dbraw/zinc/36/99/44/557369944.db2.gz MKIVNXXLJNSDEH-UHFFFAOYSA-N 0 1 402.288 3.750 40 0 HHABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 ZINC000408595907 557513946 /nfs/dbraw/zinc/51/39/46/557513946.db2.gz WAASTBSEXVUKIS-UHFFFAOYSA-N 0 1 409.895 3.777 40 0 HHABMN CC(C)OC(=O)c1cccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)c1 ZINC000408711579 557741962 /nfs/dbraw/zinc/74/19/62/557741962.db2.gz MLHWYAHLDHRERD-UHFFFAOYSA-N 0 1 410.499 3.692 40 0 HHABMN COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000009311703 557836321 /nfs/dbraw/zinc/83/63/21/557836321.db2.gz JCWZQAFNBKXKPE-NVNXTCNLSA-N 0 1 417.259 3.525 40 0 HHABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000011582498 558264307 /nfs/dbraw/zinc/26/43/07/558264307.db2.gz VGAJYRKEVKPHAO-FSSWDIPSSA-N 0 1 400.434 3.746 40 0 HHABMN Cc1nc(N)cc(CC2CCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)n1 ZINC000019758865 558275487 /nfs/dbraw/zinc/27/54/87/558275487.db2.gz WGTSWRONZDZRDW-UHFFFAOYSA-N 0 1 402.926 3.637 40 0 HHABMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc21 ZINC000019936613 558312235 /nfs/dbraw/zinc/31/22/35/558312235.db2.gz LANCASUWXKLBAZ-UHFFFAOYSA-N 0 1 406.769 3.605 40 0 HHABMN COc1ccc([C@@]2(O)CC[C@@H]3CN(C(=O)c4cc(-c5cccs5)[nH]n4)C[C@@H]32)cc1 ZINC000012087686 558322647 /nfs/dbraw/zinc/32/26/47/558322647.db2.gz FTUNBHFBBZSCNC-UVQUFPMPSA-N 0 1 409.511 3.517 40 0 HHABMN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020107615 558334107 /nfs/dbraw/zinc/33/41/07/558334107.db2.gz SPVIZCGNTBNRSM-MRXNPFEDSA-N 0 1 411.483 3.597 40 0 HHABMN COc1ccc(-c2n[nH]cc2CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1 ZINC000012143848 558335730 /nfs/dbraw/zinc/33/57/30/558335730.db2.gz NXKNGKAERRDJRT-UHFFFAOYSA-N 0 1 422.504 3.852 40 0 HHABMN CC1(C)CCCN(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](c3csnn3)C2)C1 ZINC000012182823 558343513 /nfs/dbraw/zinc/34/35/13/558343513.db2.gz UNBAHXBDHOIJKF-ZWKOTPCHSA-N 0 1 402.539 3.509 40 0 HHABMN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020482903 558375450 /nfs/dbraw/zinc/37/54/50/558375450.db2.gz KELGMKCMHQQORU-INIZCTEOSA-N 0 1 411.483 3.597 40 0 HHABMN O=C(c1c[nH]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000022234027 558470203 /nfs/dbraw/zinc/47/02/03/558470203.db2.gz YICYTGHJRCNYGI-UHFFFAOYSA-N 0 1 401.388 3.509 40 0 HHABMN O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)C1 ZINC000019014725 558836840 /nfs/dbraw/zinc/83/68/40/558836840.db2.gz LDUOVGMYCPYIAO-SFHVURJKSA-N 0 1 412.578 3.769 40 0 HHABMN Cc1ccc2nc([C@@H]3CCCN3C(=O)[C@@H](C)n3cnc4ccccc4c3=O)[nH]c2c1 ZINC000019221511 558852014 /nfs/dbraw/zinc/85/20/14/558852014.db2.gz MOEIBBNJWQVYQG-QRWLVFNGSA-N 0 1 401.470 3.506 40 0 HHABMN Cc1ccccc1CC(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1 ZINC000019237116 558856553 /nfs/dbraw/zinc/85/65/53/558856553.db2.gz GKKFPPIOYSVMCM-UHFFFAOYSA-N 0 1 420.532 3.858 40 0 HHABMN COc1cccc(C(=O)N2CCC(c3[nH]ncc3C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)c1 ZINC000019496078 558895000 /nfs/dbraw/zinc/89/50/00/558895000.db2.gz BVNONJSRDJCTPJ-CALCHBBNSA-N 0 1 424.545 3.841 40 0 HHABMN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000019497331 558896144 /nfs/dbraw/zinc/89/61/44/558896144.db2.gz CVWXBAAMDBGOQY-HZPDHXFCSA-N 0 1 416.953 3.692 40 0 HHABMN Cc1sc2ncn(CC3(O)CCN(Cc4ccccc4Cl)CC3)c(=O)c2c1C ZINC000019561570 558922179 /nfs/dbraw/zinc/92/21/79/558922179.db2.gz ZYTKCKNOMSCNIO-UHFFFAOYSA-N 0 1 417.962 3.755 40 0 HHABMN CCn1cncc1CN1CCC([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019578595 558934258 /nfs/dbraw/zinc/93/42/58/558934258.db2.gz SGDNKYLFDYVBDJ-QHCPKHFHSA-N 0 1 421.520 3.820 40 0 HHABMN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000072337772 558938109 /nfs/dbraw/zinc/93/81/09/558938109.db2.gz NYOKLTCMXIMYEY-LPHOPBHVSA-N 0 1 415.559 3.640 40 0 HHABMN COc1ccccc1CN1CCN(C)C(=O)[C@H](Cc2ccccc2-c2cccnc2)C1 ZINC000019589650 558940369 /nfs/dbraw/zinc/94/03/69/558940369.db2.gz PQKIAKZUKXDMHE-HSZRJFAPSA-N 0 1 415.537 3.890 40 0 HHABMN O=C(CN1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1)N1CCCC1 ZINC000072359394 558954995 /nfs/dbraw/zinc/95/49/95/558954995.db2.gz VIGJNRSTOZRBHZ-UHFFFAOYSA-N 0 1 418.463 3.964 40 0 HHABMN O=C(CN1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)N1CCCCC1 ZINC000072369956 558956122 /nfs/dbraw/zinc/95/61/22/558956122.db2.gz ZVYZARDEUFAOLW-HNNXBMFYSA-N 0 1 408.424 3.557 40 0 HHABMN FC(F)(F)c1ccc(OCCc2cc([C@H]3CCN(c4ncccn4)C3)[nH]n2)cc1 ZINC000072371391 558958173 /nfs/dbraw/zinc/95/81/73/558958173.db2.gz SMMQMNOCTJMMGP-AWEZNQCLSA-N 0 1 403.408 3.834 40 0 HHABMN Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)s1 ZINC000072371436 558958330 /nfs/dbraw/zinc/95/83/30/558958330.db2.gz CVXZSWYTCGNZKH-OAHLLOKOSA-N 0 1 414.506 3.873 40 0 HHABMN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN3CC(=O)N3CCCCC3)c2)n1 ZINC000072372470 558959969 /nfs/dbraw/zinc/95/99/69/558959969.db2.gz LCDYRMLOFZDBEN-NRFANRHFSA-N 0 1 408.550 3.690 40 0 HHABMN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2Cc2ccccc2F)n1 ZINC000019690455 558960059 /nfs/dbraw/zinc/96/00/59/558960059.db2.gz BBFABOFZGNTHHK-OAQYLSRUSA-N 0 1 419.504 3.785 40 0 HHABMN Cc1cnc(Nc2cc(C)nc([C@@H]3CCCN3CC(=O)NCc3ccccn3)c2)s1 ZINC000072372568 558960162 /nfs/dbraw/zinc/96/01/62/558960162.db2.gz GPSKSSWWGOANFA-FQEVSTJZSA-N 0 1 422.558 3.747 40 0 HHABMN Cc1cc(-c2cncnc2)cc(C2CCN(CC(=O)N(C)C3CCCCC3)CC2)n1 ZINC000019691947 558961430 /nfs/dbraw/zinc/96/14/30/558961430.db2.gz GGCGDHXZXPBUTL-UHFFFAOYSA-N 0 1 407.562 3.818 40 0 HHABMN COCCc1ncc(CN2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)cn1 ZINC000072374324 558961714 /nfs/dbraw/zinc/96/17/14/558961714.db2.gz XXSNBXVBVNHEFG-UHFFFAOYSA-N 0 1 422.508 3.718 40 0 HHABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)c2)n1 ZINC000072374914 558963116 /nfs/dbraw/zinc/96/31/16/558963116.db2.gz RSVMLBMRMGFLSO-IBGZPJMESA-N 0 1 416.529 3.884 40 0 HHABMN CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(Cc3cnn(C)c3)CC2)n1 ZINC000019695290 558963911 /nfs/dbraw/zinc/96/39/11/558963911.db2.gz FIDVCVSBDHOZHG-UHFFFAOYSA-N 0 1 410.953 3.976 40 0 HHABMN C[C@@H](CCN1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1)c1ccccc1 ZINC000019701039 558967306 /nfs/dbraw/zinc/96/73/06/558967306.db2.gz KDKZWCLRXSWIHZ-SFHVURJKSA-N 0 1 415.541 3.541 40 0 HHABMN CCN(CC)Cc1c(C)onc1C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000072391764 558971578 /nfs/dbraw/zinc/97/15/78/558971578.db2.gz SSTGRNZIGUNLOU-UHFFFAOYSA-N 0 1 424.467 3.806 40 0 HHABMN O=C(Cc1cn[nH]c1)NC1CC2(C1)CCN(Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000585104242 559026851 /nfs/dbraw/zinc/02/68/51/559026851.db2.gz XBOUCSKIKAOZSE-UHFFFAOYSA-N 0 1 424.442 3.671 40 0 HHABMN CN1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585106946 559029249 /nfs/dbraw/zinc/02/92/49/559029249.db2.gz LUWQZGIVBJAULU-VWLOTQADSA-N 0 1 418.516 3.695 40 0 HHABMN CCN1CCN(C(=O)c2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183623 559070482 /nfs/dbraw/zinc/07/04/82/559070482.db2.gz PSYQGNQHQRVTSY-NRFANRHFSA-N 0 1 416.525 3.548 40 0 HHABMN Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C ZINC000000790968 559279499 /nfs/dbraw/zinc/27/94/99/559279499.db2.gz CZBDDKWXAYEUDS-UHFFFAOYSA-N 0 1 411.483 3.517 40 0 HHABMN COc1ccccc1-c1cccc(C[C@]2(C(=O)N[C@H]3CCCN(C)C3)CCCO2)c1 ZINC000257262817 559284832 /nfs/dbraw/zinc/28/48/32/559284832.db2.gz LNBGYRWAOPEASZ-OFVILXPXSA-N 0 1 408.542 3.664 40 0 HHABMN COc1ccccc1-c1cccc(C[C@]2(C(=O)N[C@@H]3CCCN(C)C3)CCCO2)c1 ZINC000257262816 559284918 /nfs/dbraw/zinc/28/49/18/559284918.db2.gz LNBGYRWAOPEASZ-BWKNWUBXSA-N 0 1 408.542 3.664 40 0 HHABMN COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc(C)cc1 ZINC000409059693 560670973 /nfs/dbraw/zinc/67/09/73/560670973.db2.gz XBXKLUZKMAIAJB-VIZOYTHASA-N 0 1 417.259 3.525 40 0 HHABMN CCOc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccc(Br)cc1 ZINC000001053519 560727035 /nfs/dbraw/zinc/72/70/35/560727035.db2.gz YSDKVWUHRQAGGK-OQLLNIDSSA-N 0 1 417.259 3.607 40 0 HHABMN COC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000010112219 560763905 /nfs/dbraw/zinc/76/39/05/560763905.db2.gz DFNKHOFQQWMJHF-UHFFFAOYSA-N 0 1 410.451 3.526 40 0 HHABMN CC(C)c1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000013585700 560817060 /nfs/dbraw/zinc/81/70/60/560817060.db2.gz KFQZGLXATXHEDZ-UHFFFAOYSA-N 0 1 404.513 3.649 40 0 HHABMN CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000014153820 560839138 /nfs/dbraw/zinc/83/91/38/560839138.db2.gz DLHCOXIFXBDPCB-UHFFFAOYSA-N 0 1 410.923 3.606 40 0 HHABMN O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1C=C([O-])NC(Nc2ccc(F)cc2)=[NH+]1 ZINC000014607659 560847091 /nfs/dbraw/zinc/84/70/91/560847091.db2.gz FEAIETGSAKBXFK-HXUWFJFHSA-N 0 1 418.428 3.913 40 0 HHABMN O=C(NCCCN1CCCc2ccccc21)C1CCN(Cc2ccccc2F)CC1 ZINC000219425415 568491673 /nfs/dbraw/zinc/49/16/73/568491673.db2.gz ZDKOVNAPFLEQST-UHFFFAOYSA-N 0 1 409.549 3.997 40 0 HHABMN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000223013552 568534329 /nfs/dbraw/zinc/53/43/29/568534329.db2.gz KRWXEKCKWHREOH-UHFFFAOYSA-N 0 1 416.543 3.784 40 0 HHABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)s1 ZINC000223851668 568560820 /nfs/dbraw/zinc/56/08/20/568560820.db2.gz BHHWDRWUVIJUTM-UHFFFAOYSA-N 0 1 409.320 3.630 40 0 HHABMN COC(=O)c1cc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)ccc1Cl ZINC000225633268 568658698 /nfs/dbraw/zinc/65/86/98/568658698.db2.gz NXWXQLWQBOYSAK-UHFFFAOYSA-N 0 1 409.891 3.815 40 0 HHABMN COc1cccc(C(=O)N2CCC(c3cc(Nc4cnccn4)cc(C)n3)CC2)c1 ZINC000257220408 568782071 /nfs/dbraw/zinc/78/20/71/568782071.db2.gz DKSSSUVQSKHJQN-UHFFFAOYSA-N 0 1 403.486 3.952 40 0 HHABMN NC(=O)c1cccc(-c2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)c1 ZINC000257230698 568785049 /nfs/dbraw/zinc/78/50/49/568785049.db2.gz GDLZEESWZDIWHP-VWLOTQADSA-N 0 1 424.504 3.969 40 0 HHABMN Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 ZINC000257237393 568786832 /nfs/dbraw/zinc/78/68/32/568786832.db2.gz HGGOQXXOUUFUFK-CQSZACIVSA-N 0 1 408.531 3.822 40 0 HHABMN CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)n[nH]1 ZINC000257298993 568804141 /nfs/dbraw/zinc/80/41/41/568804141.db2.gz ROFMUXNNGNUJJX-REWPJTCUSA-N 0 1 410.518 3.529 40 0 HHABMN CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccn[nH]2)CC1 ZINC000257308727 568807199 /nfs/dbraw/zinc/80/71/99/568807199.db2.gz TXWSMPHNCXMJPV-UHFFFAOYSA-N 0 1 416.525 3.678 40 0 HHABMN CC(C)n1cc(CN2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306129505 568892010 /nfs/dbraw/zinc/89/20/10/568892010.db2.gz IFMHYCHXZFJFJT-NRFANRHFSA-N 0 1 401.518 3.948 40 0 HHABMN COc1ccc(CN2C[C@@H]3[C@@H](C2)N(Cc2ccc(OC)cc2)C(=O)c2cccn23)cc1 ZINC000306135213 568897268 /nfs/dbraw/zinc/89/72/68/568897268.db2.gz OLCAVNMLPFVOLQ-DNQXCXABSA-N 0 1 417.509 3.587 40 0 HHABMN CC(C)c1nc(N[C@@H](C)CO)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000328991054 568971546 /nfs/dbraw/zinc/97/15/46/568971546.db2.gz IRVFWNAGRNCHCL-ZDUSSCGKSA-N 0 1 410.440 3.854 40 0 HHABMN COc1cc2c(cc1OC)CN(c1cc(N[C@H](CO)C(C)C)nc(C(C)C)n1)CC2 ZINC000329023879 568973280 /nfs/dbraw/zinc/97/32/80/568973280.db2.gz OVUDABGGMAOSOO-GOSISDBHSA-N 0 1 414.550 3.609 40 0 HHABMN CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329029769 568973707 /nfs/dbraw/zinc/97/37/07/568973707.db2.gz QBAPFHCKSPKCPP-SFHVURJKSA-N 0 1 419.367 3.793 40 0 HHABMN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCN(Cc3ccccc3)CC1)C2 ZINC000035075017 569027803 /nfs/dbraw/zinc/02/78/03/569027803.db2.gz QGLFZRGNXFHVJW-LYGMZBLVSA-N 0 1 400.607 3.787 40 0 HHABMN COC(=O)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000028629495 569047832 /nfs/dbraw/zinc/04/78/32/569047832.db2.gz MOVFBVKQOSBYLM-UHFFFAOYSA-N 0 1 424.478 3.835 40 0 HHABMN F[C@@H]1CN(Cc2nccs2)C[C@@H]1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000096112255 291258196 /nfs/dbraw/zinc/25/81/96/291258196.db2.gz YMHXFEHMGFWWSM-RISCZKNCSA-N 0 1 400.401 3.777 40 0 biogenic,in-vitro HHABMN O=C(c1ccc(F)cc1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676049 291259551 /nfs/dbraw/zinc/25/95/51/291259551.db2.gz ICCBGLCVJUXZSF-SFHVURJKSA-N 0 1 407.380 3.678 40 0 biogenic,in-vitro HHABMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)ccc2OC)ccc1OCC ZINC000408585659 557489399 /nfs/dbraw/zinc/48/93/99/557489399.db2.gz HWOSGNIWYDUZIR-UHFFFAOYSA-N 0 1 408.476 3.772 40 0 HHABMN CSc1ccccc1C(=O)N1CC[NH+]([C@@H](CCC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000408613687 557533457 /nfs/dbraw/zinc/53/34/57/557533457.db2.gz ZJJVZSWHWICXGT-IBGZPJMESA-N 0 1 416.518 3.912 40 0 HHABMN Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=N[C@H]2[C@@H]1CC=CCC1 ZINC000009052912 557820910 /nfs/dbraw/zinc/82/09/10/557820910.db2.gz ONQFQSBELPLCJS-IIBYNOLFSA-N 0 1 402.502 3.502 40 0 HHABMN Cc1nc([C@@H]2CCCN(Cc3ccccn3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752966 558272192 /nfs/dbraw/zinc/27/21/92/558272192.db2.gz ZDMSGLDFWLLECL-HXUWFJFHSA-N 0 1 414.557 3.907 40 0 HHABMN CCOc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1OC ZINC000012275918 558364223 /nfs/dbraw/zinc/36/42/23/558364223.db2.gz SPKOYWIEPDIQGG-UHFFFAOYSA-N 0 1 409.490 3.622 40 0 HHABMN CCc1ccc(OC[C@@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000026780760 558665178 /nfs/dbraw/zinc/66/51/78/558665178.db2.gz NIBXAEFJEFMKAX-FQEVSTJZSA-N 0 1 408.464 3.830 40 0 HHABMN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000030754233 558736755 /nfs/dbraw/zinc/73/67/55/558736755.db2.gz CSZLIWDTVVEYLW-INIZCTEOSA-N 0 1 411.483 3.597 40 0 HHABMN O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000030758135 558737786 /nfs/dbraw/zinc/73/77/86/558737786.db2.gz ALTCNZMKEVYJLO-UHFFFAOYSA-N 0 1 417.874 3.553 40 0 HHABMN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1 ZINC000015437510 558740064 /nfs/dbraw/zinc/74/00/64/558740064.db2.gz FACQRDPYONWBNF-UHFFFAOYSA-N 0 1 412.467 3.757 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@H](C)n2c(C)nc3ccccc32)cc1 ZINC000019286662 558860605 /nfs/dbraw/zinc/86/06/05/558860605.db2.gz BFUFAXITLCNFKI-WNSKOXEYSA-N 0 1 415.497 3.812 40 0 HHABMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013751306 558864447 /nfs/dbraw/zinc/86/44/47/558864447.db2.gz KERNKEUSBXMSQX-FSSWDIPSSA-N 0 1 400.434 3.746 40 0 HHABMN O=C(N[C@H]1CCCOC1)c1cc(C2CCN(Cc3ccccc3Cl)CC2)no1 ZINC000019348895 558874624 /nfs/dbraw/zinc/87/46/24/558874624.db2.gz HNIHYVFVFOZMIR-KRWDZBQOSA-N 0 1 403.910 3.616 40 0 HHABMN O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019370380 558878664 /nfs/dbraw/zinc/87/86/64/558878664.db2.gz VWTYPWDKTDFTLR-RDGATRHJSA-N 0 1 400.526 3.789 40 0 HHABMN CC(C)c1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccccc3)C2)n[nH]1 ZINC000019451867 558889855 /nfs/dbraw/zinc/88/98/55/558889855.db2.gz NAWKQSUMKAGECW-FQEVSTJZSA-N 0 1 416.525 3.631 40 0 HHABMN CC[C@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019499821 558897868 /nfs/dbraw/zinc/89/78/68/558897868.db2.gz ADSQQGFMIKJEGU-JKSUJKDBSA-N 0 1 414.575 3.554 40 0 HHABMN CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019501424 558899500 /nfs/dbraw/zinc/89/95/00/558899500.db2.gz IJAXSOQSFPBBBV-HXUWFJFHSA-N 0 1 400.567 3.974 40 0 HHABMN CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019501424 558899503 /nfs/dbraw/zinc/89/95/03/558899503.db2.gz IJAXSOQSFPBBBV-HXUWFJFHSA-N 0 1 400.567 3.974 40 0 HHABMN CCN1CCN(Cc2ccccn2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527716 558909068 /nfs/dbraw/zinc/90/90/68/558909068.db2.gz KOSRZZFFKHLLOO-JOCHJYFZSA-N 0 1 400.526 3.667 40 0 HHABMN CN1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2N)CC1 ZINC000072229223 558931929 /nfs/dbraw/zinc/93/19/29/558931929.db2.gz YTZJSFJHTTXQGK-UHFFFAOYSA-N 0 1 423.742 3.689 40 0 HHABMN CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccn3)CC2)o1 ZINC000072344948 558941319 /nfs/dbraw/zinc/94/13/19/558941319.db2.gz QMEJLAGMOXKCFT-FQEVSTJZSA-N 0 1 411.550 3.944 40 0 HHABMN COCCN1C[C@H](c2ccccc2)OC2(CCN(C(=O)c3ccccc3F)CC2)C1 ZINC000019593391 558944336 /nfs/dbraw/zinc/94/43/36/558944336.db2.gz UGTHWAVUURTEBN-JOCHJYFZSA-N 0 1 412.505 3.520 40 0 HHABMN COCCOc1cccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019593794 558944873 /nfs/dbraw/zinc/94/48/73/558944873.db2.gz VOPDTBQEGVUCEW-QFIPXVFZSA-N 0 1 420.513 3.997 40 0 HHABMN CCc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)cc2)c2c(C)noc2n1 ZINC000019663361 558954287 /nfs/dbraw/zinc/95/42/87/558954287.db2.gz GMPIRHWUWTVCBS-NRFANRHFSA-N 0 1 417.469 3.613 40 0 HHABMN Cc1c(C(=O)NC[C@H](c2cccc(Cl)c2)N(C)C)cccc1N1CCOCC1 ZINC000019664166 558954841 /nfs/dbraw/zinc/95/48/41/558954841.db2.gz COIGSYDWGGFGBB-OAQYLSRUSA-N 0 1 401.938 3.518 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000019666483 558956223 /nfs/dbraw/zinc/95/62/23/558956223.db2.gz MZAGFOZRPRANII-HSZRJFAPSA-N 0 1 413.481 3.905 40 0 HHABMN CC1CCN(C(=O)CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)CC1 ZINC000019687488 558957258 /nfs/dbraw/zinc/95/72/58/558957258.db2.gz VTITZABVTJNJLY-NRFANRHFSA-N 0 1 421.589 3.648 40 0 HHABMN CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)c4cnn(C)c4)C3)n[nH]2)cc1 ZINC000072371637 558958766 /nfs/dbraw/zinc/95/87/66/558958766.db2.gz GYXBFROWVNNPSU-GOSISDBHSA-N 0 1 407.518 3.518 40 0 HHABMN CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)CN2CCCC2)n1 ZINC000019689435 558958848 /nfs/dbraw/zinc/95/88/48/558958848.db2.gz INTTWTMJYUAVQP-IBGZPJMESA-N 0 1 413.953 3.622 40 0 HHABMN COc1cc2c(cc1CN1CCC[C@H]1c1cc(-c3cn[nH]c3)cc(C)n1)OCCO2 ZINC000019690833 558960229 /nfs/dbraw/zinc/96/02/29/558960229.db2.gz UZJZQXICWINEBK-FQEVSTJZSA-N 0 1 406.486 3.897 40 0 HHABMN COCCc1ncc(CN2CCC(c3ccc(Nc4ncccc4C)cn3)CC2)cn1 ZINC000072374323 558961775 /nfs/dbraw/zinc/96/17/75/558961775.db2.gz REZCRXWHUYHSQF-UHFFFAOYSA-N 0 1 418.545 3.887 40 0 HHABMN CCN(CC)C(=O)CN1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000072374837 558963031 /nfs/dbraw/zinc/96/30/31/558963031.db2.gz RHTYYLUQKBQPHZ-IBGZPJMESA-N 0 1 410.566 3.588 40 0 HHABMN Cc1ncsc1C(=O)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703638 558967765 /nfs/dbraw/zinc/96/77/65/558967765.db2.gz ZKOWTIXWIPTMMX-QGZVFWFLSA-N 0 1 400.479 3.913 40 0 HHABMN CC(C)(C)CN1CCO[C@@](Cc2cccc(-c3ccncc3)c2)(C(=O)NC2CC2)C1 ZINC000072389084 558969553 /nfs/dbraw/zinc/96/95/53/558969553.db2.gz CMJRTWGVGPYGGG-RUZDIDTESA-N 0 1 407.558 3.687 40 0 HHABMN CCc1ncc(CN2CCC(Cc3nc(C)cc(Nc4nccs4)n3)CC2)cn1 ZINC000585263567 559112011 /nfs/dbraw/zinc/11/20/11/559112011.db2.gz PPMRARIZGAABPV-UHFFFAOYSA-N 0 1 409.563 3.792 40 0 HHABMN CC(=O)N[C@@H](c1c(=O)n(-c2ccccc2)[nH]c1C(C)(C)C)C(Cl)(Cl)Cl ZINC000100989696 559142566 /nfs/dbraw/zinc/14/25/66/559142566.db2.gz NBOQKBNWTMRJQQ-OCCSQVGLSA-N 0 1 404.725 3.926 40 0 HHABMN CCOc1ccc(C2=NN(CC)C(=O)[C@@H](c3c(C)[nH]n(-c4ccccc4)c3=O)C2)cc1 ZINC000102980701 559153973 /nfs/dbraw/zinc/15/39/73/559153973.db2.gz KDNOVJQOHLZBDA-IFMALSPDSA-N 0 1 418.497 3.697 40 0 HHABMN COc1cccc(-c2cccc(CC3(C(=O)N[C@@H]4CCCN(C)C4)CCOCC3)c2)c1 ZINC000257252095 559284567 /nfs/dbraw/zinc/28/45/67/559284567.db2.gz JTOBWSBVOUIJRU-HSZRJFAPSA-N 0 1 422.569 3.912 40 0 HHABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl ZINC000409409546 560722793 /nfs/dbraw/zinc/72/27/93/560722793.db2.gz HVJKSBAPBGFUIL-UHFFFAOYSA-N 0 1 404.875 3.972 40 0 HHABMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000003035115 560732908 /nfs/dbraw/zinc/73/29/08/560732908.db2.gz SNGHNQHBMQHHLT-QGZVFWFLSA-N 0 1 401.260 3.777 40 0 HHABMN Cc1ccc(N2C(=O)/C(=C/c3cn(CC#N)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000006044226 560739399 /nfs/dbraw/zinc/73/93/99/560739399.db2.gz AMEZAHIQZRCEOB-LDADJPATSA-N 0 1 414.490 3.613 40 0 HHABMN CC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1ccn[nH]1 ZINC000013150704 560803021 /nfs/dbraw/zinc/80/30/21/560803021.db2.gz INYYJQCSOJZXCT-OAQYLSRUSA-N 0 1 422.504 3.890 40 0 HHABMN CCCCc1ccc(NS(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000013585812 560817113 /nfs/dbraw/zinc/81/71/13/560817113.db2.gz DVRVRRVNBIUOAF-UHFFFAOYSA-N 0 1 418.540 3.869 40 0 HHABMN Cc1cccc(N2CCN(CCCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000005798969 568454099 /nfs/dbraw/zinc/45/40/99/568454099.db2.gz BVHNQFXFFGHUGR-UHFFFAOYSA-N 0 1 413.521 3.957 40 0 HHABMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)cc21 ZINC000223344681 568545881 /nfs/dbraw/zinc/54/58/81/568545881.db2.gz CPVDVWGGUMAINF-UHFFFAOYSA-N 0 1 407.662 3.893 40 0 HHABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c1 ZINC000223950586 568564184 /nfs/dbraw/zinc/56/41/84/568564184.db2.gz KHUGKCBWIAREIW-UHFFFAOYSA-N 0 1 424.544 3.821 40 0 HHABMN Cc1noc(CCC(=O)N2CCC(c3cc(Nc4ccc(F)cn4)cc(C)n3)CC2)n1 ZINC000257228398 568784612 /nfs/dbraw/zinc/78/46/12/568784612.db2.gz FTQWLJJZGXUXOC-UHFFFAOYSA-N 0 1 424.480 3.698 40 0 HHABMN Cc1cc(N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)nc(C)n1 ZINC000257242107 568788021 /nfs/dbraw/zinc/78/80/21/568788021.db2.gz IBDPZPXAOMHYFS-FQEVSTJZSA-N 0 1 413.909 3.669 40 0 HHABMN CCN(CC)C(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC000257259156 568792629 /nfs/dbraw/zinc/79/26/29/568792629.db2.gz KXCVLTVDGBQGFV-FQEVSTJZSA-N 0 1 424.545 3.513 40 0 HHABMN COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(C)=O)cc1CN(C)C ZINC000257297332 568803507 /nfs/dbraw/zinc/80/35/07/568803507.db2.gz RGUQBSINGGCKFH-ZZNUNNEKSA-N 0 1 400.563 3.775 40 0 HHABMN COc1c(C)cccc1CNc1cc(-c2cn[nH]c2[C@@H]2CCN(C(C)=O)C2)ccn1 ZINC000257299169 568804134 /nfs/dbraw/zinc/80/41/34/568804134.db2.gz ROZPQWSKHYMGBU-LJQANCHMSA-N 0 1 405.502 3.737 40 0 HHABMN COc1ncccc1CN1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306124398 568887428 /nfs/dbraw/zinc/88/74/28/568887428.db2.gz BOOGIPSOMOCOHP-IBGZPJMESA-N 0 1 400.486 3.575 40 0 HHABMN c1csc(-c2cccc(CN3CC[C@]4(C3)COCc3cnc(NC5CC5)nc34)n2)c1 ZINC000306130277 568892773 /nfs/dbraw/zinc/89/27/73/568892773.db2.gz JAXVLWAUCRNTEW-QHCPKHFHSA-N 0 1 419.554 3.848 40 0 HHABMN Cc1cc(C)cc(CN2CCN(C)[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306143835 568905199 /nfs/dbraw/zinc/90/51/99/568905199.db2.gz YNTUYJORKKYCFO-DEOSSOPVSA-N 0 1 412.541 3.897 40 0 HHABMN Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329007559 568972311 /nfs/dbraw/zinc/97/23/11/568972311.db2.gz LKMNANLIPAYTTH-QGZVFWFLSA-N 0 1 410.440 3.675 40 0 HHABMN CC(C)c1nc(NCCCO)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329053213 568974778 /nfs/dbraw/zinc/97/47/78/568974778.db2.gz VERGSCFELOEHPL-UHFFFAOYSA-N 0 1 405.340 3.720 40 0 HHABMN COc1ccccc1N1CCN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000026781038 569047782 /nfs/dbraw/zinc/04/77/82/569047782.db2.gz HZLDQCXPYGXAMB-KBWCOIMZSA-N 0 1 404.595 3.800 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)[C@H]1CCCO1 ZINC000247470280 569315387 /nfs/dbraw/zinc/31/53/87/569315387.db2.gz FCJWSRJSGDQLJE-ZNLUXHQJSA-N 0 1 415.484 3.608 40 0 HHABMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Cl ZINC000006603727 569333762 /nfs/dbraw/zinc/33/37/62/569333762.db2.gz PJWHTYDYICVSOV-DGGAMASNSA-N 0 1 402.834 3.772 40 0 HHABMN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000007078481 569336804 /nfs/dbraw/zinc/33/68/04/569336804.db2.gz PHRAEJKSCXPFHG-BXWAGETQSA-N 0 1 410.495 3.704 40 0 HHABMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000008477382 569341556 /nfs/dbraw/zinc/34/15/56/569341556.db2.gz AQBAWEWRNPSYRY-DGGAMASNSA-N 0 1 420.893 3.930 40 0 HHABMN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000012157772 569344667 /nfs/dbraw/zinc/34/46/67/569344667.db2.gz DZBKPGVPPVYZQS-WIYYLYMNSA-N 0 1 422.554 3.930 40 0 HHABMN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2F)C1)c1ccccn1 ZINC000019348961 569345452 /nfs/dbraw/zinc/34/54/52/569345452.db2.gz ZZRRMPGGAFROFJ-AUSIDOKSSA-N 0 1 404.489 3.999 40 0 HHABMN CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(CN(C)C2CCCCC2)n1 ZINC000019697385 569346864 /nfs/dbraw/zinc/34/68/64/569346864.db2.gz MXFWJFGIGBSMOS-IBGZPJMESA-N 0 1 407.562 3.799 40 0 HHABMN Cc1nn(C)cc1C[N@H+]1[C@@H]2CCCC(=O)N[C@H]2C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000019713947 569348515 /nfs/dbraw/zinc/34/85/15/569348515.db2.gz QMOGHIFGRJNEJV-OTWHNJEPSA-N 0 1 406.452 3.732 40 0 HHABMN Cc1nn(C)cc1CN1[C@@H]2CCCC(=O)N[C@H]2C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000019713947 569348516 /nfs/dbraw/zinc/34/85/16/569348516.db2.gz QMOGHIFGRJNEJV-OTWHNJEPSA-N 0 1 406.452 3.732 40 0 HHABMN CN(Cc1nc(C2(O)CCN(Cc3ccccc3)CC2)cs1)Cc1cccnc1 ZINC000225475556 291250466 /nfs/dbraw/zinc/25/04/66/291250466.db2.gz QETXRRFOVLIYNG-UHFFFAOYSA-N 0 1 408.571 3.654 40 0 biogenic,in-vitro HHABMN COc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000015707183 291255110 /nfs/dbraw/zinc/25/51/10/291255110.db2.gz YKCWWYYHPIFFTJ-IBGZPJMESA-N 0 1 416.441 3.800 40 0 biogenic,in-vitro HHABMN COc1cccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccc(C(F)(F)F)cc4[nH]3)C2)n1 ZINC000096112256 291255582 /nfs/dbraw/zinc/25/55/82/291255582.db2.gz IYBZNZUQTFAROD-PBHICJAKSA-N 0 1 424.398 3.724 40 0 biogenic,in-vitro HHABMN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)Nc3ccccc3)n2)cc1 ZINC000015675995 291254352 /nfs/dbraw/zinc/25/43/52/291254352.db2.gz NEGYIGGLDCSEDZ-IBGZPJMESA-N 0 1 416.441 3.800 40 0 biogenic,in-vitro HHABMN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC000006044515 132309030 /nfs/dbraw/zinc/30/90/30/132309030.db2.gz CIDQJACQZSIFGO-UHFFFAOYSA-N 0 1 402.951 3.527 40 0 HHABMN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225703008 521557492 /nfs/dbraw/zinc/55/74/92/521557492.db2.gz BVUVWHIHMGJHGG-UHFFFAOYSA-N 0 1 420.512 3.621 40 0 HHABMN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044847637 525320243 /nfs/dbraw/zinc/32/02/43/525320243.db2.gz WIDXQZPLMOMGFF-INIZCTEOSA-N 0 1 411.483 3.597 40 0 HHABMN Cc1ccccc1N1O[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccccn1 ZINC000004092499 557512793 /nfs/dbraw/zinc/51/27/93/557512793.db2.gz MJQGWYFYAQTZTH-NJDAHSKKSA-N 0 1 403.413 3.580 40 0 HHABMN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1C ZINC000408600668 557520869 /nfs/dbraw/zinc/52/08/69/557520869.db2.gz BVMZWJPKMPECJG-UHFFFAOYSA-N 0 1 406.813 3.828 40 0 HHABMN Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)Cc3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000019743421 558264071 /nfs/dbraw/zinc/26/40/71/558264071.db2.gz VTHXGYFJJDAEGZ-OAHLLOKOSA-N 0 1 421.398 3.994 40 0 HHABMN C[C@H](NC(=O)CC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)c1ccccc1 ZINC000019748613 558267932 /nfs/dbraw/zinc/26/79/32/558267932.db2.gz HSGGJJUQWBAQCL-IBGZPJMESA-N 0 1 407.562 3.556 40 0 HHABMN COc1ccccc1NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000019927822 558308295 /nfs/dbraw/zinc/30/82/95/558308295.db2.gz PFMLOVIRGOGWDL-UHFFFAOYSA-N 0 1 419.304 3.974 40 0 HHABMN CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000012365819 558388152 /nfs/dbraw/zinc/38/81/52/558388152.db2.gz ITGGQNYEZHBJLS-DNVCBOLYSA-N 0 1 403.548 3.640 40 0 HHABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 ZINC000013966259 558609801 /nfs/dbraw/zinc/60/98/01/558609801.db2.gz NWNLQGZQYOLVNX-UHFFFAOYSA-N 0 1 417.878 3.883 40 0 HHABMN Cc1ccc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 ZINC000030849900 558739806 /nfs/dbraw/zinc/73/98/06/558739806.db2.gz LEIKCPPPUTWRIR-UHFFFAOYSA-N 0 1 411.483 3.517 40 0 HHABMN COc1ccc(OC)c([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)c2ccco2)c1 ZINC000036743736 558802488 /nfs/dbraw/zinc/80/24/88/558802488.db2.gz KVJXGLXPACOOIO-LEWJYISDSA-N 0 1 406.482 3.695 40 0 HHABMN O=C(C1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014677 558836762 /nfs/dbraw/zinc/83/67/62/558836762.db2.gz IDCANCLTPTXLHW-SFHVURJKSA-N 0 1 412.578 3.769 40 0 HHABMN Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)CN3CCCCC3)cc2)on1 ZINC000019123870 558844227 /nfs/dbraw/zinc/84/42/27/558844227.db2.gz WVUIFWHZOKSOHI-UHFFFAOYSA-N 0 1 405.502 3.518 40 0 HHABMN Cc1ccc(-c2ccccc2C[C@H]2CN(Cc3cnc(C)nc3)CCNC2=O)c(C)c1 ZINC000019132893 558845858 /nfs/dbraw/zinc/84/58/58/558845858.db2.gz LHJYFYXBFURBAX-QHCPKHFHSA-N 0 1 414.553 3.860 40 0 HHABMN COc1cccc([C@@H]2CN(Cc3nc4ccccc4n3C)C[C@]23CCCCC(=O)N3)c1 ZINC000019289955 558862345 /nfs/dbraw/zinc/86/23/45/558862345.db2.gz OVCJBIKRXUXHII-NBGIEHNGSA-N 0 1 418.541 3.610 40 0 HHABMN Fc1cccc(Nc2nc(-c3ccncc3)nc3c2CN(C[C@@H]2CCOC2)CC3)c1 ZINC000019294020 558865675 /nfs/dbraw/zinc/86/56/75/558865675.db2.gz GEXGWXZQMAYABJ-INIZCTEOSA-N 0 1 405.477 3.816 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2cccc(-c3cccs3)c2)C1=O ZINC000019503084 558900325 /nfs/dbraw/zinc/90/03/25/558900325.db2.gz AVFWRQYOWBQVRS-LJQANCHMSA-N 0 1 422.554 3.692 40 0 HHABMN CCc1n[nH]c(C(=O)NCCn2ncc(-c3ccncc3)c2-c2cccs2)c1C ZINC000019520987 558902220 /nfs/dbraw/zinc/90/22/20/558902220.db2.gz DTLPWRUIOBMTNB-UHFFFAOYSA-N 0 1 406.515 3.698 40 0 HHABMN CCCSc1ncc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019525211 558906516 /nfs/dbraw/zinc/90/65/16/558906516.db2.gz WCGFWQJEJMEXRF-KRWDZBQOSA-N 0 1 422.558 3.504 40 0 HHABMN CCN(CC)C(=O)c1cn[nH]c1C1CCN(C(=O)c2ccc(N3CCCC3)cc2)CC1 ZINC000019526260 558907644 /nfs/dbraw/zinc/90/76/44/558907644.db2.gz SPWOASBOXOYVJC-UHFFFAOYSA-N 0 1 423.561 3.512 40 0 HHABMN CCN1CCN(Cc2ccccn2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527717 558908937 /nfs/dbraw/zinc/90/89/37/558908937.db2.gz KOSRZZFFKHLLOO-QFIPXVFZSA-N 0 1 400.526 3.667 40 0 HHABMN COc1ccc(OC)c(CN2CCC([C@@H](NC(=O)C3CC3)c3ccccn3)CC2)c1 ZINC000019551458 558915649 /nfs/dbraw/zinc/91/56/49/558915649.db2.gz STHOONHHKPTDFJ-HSZRJFAPSA-N 0 1 409.530 3.578 40 0 HHABMN CC(C)c1ncc(CN2CC[C@@H](c3c4ccccc4sc3C(=O)NCCO)C2)cn1 ZINC000072352293 558948509 /nfs/dbraw/zinc/94/85/09/558948509.db2.gz RNSSOWJLRSKNLS-QGZVFWFLSA-N 0 1 424.570 3.526 40 0 HHABMN O=C(CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)NCCc1c[nH]c2ccccc12 ZINC000019656871 558949424 /nfs/dbraw/zinc/94/94/24/558949424.db2.gz UQGUFZSIBXHBOR-SFHVURJKSA-N 0 1 415.541 3.658 40 0 HHABMN O=C(CN1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1ccnc1 ZINC000019658484 558950402 /nfs/dbraw/zinc/95/04/02/558950402.db2.gz CCKBUXMRQZCPAY-SFHVURJKSA-N 0 1 414.513 3.642 40 0 HHABMN COc1ccccc1Cc1cc(C)nc([C@H]2CCCN(CC(=O)N3CCCC3)C2)c1 ZINC000072353815 558950862 /nfs/dbraw/zinc/95/08/62/558950862.db2.gz OOJNBWWDDUBPHI-QFIPXVFZSA-N 0 1 407.558 3.791 40 0 HHABMN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN2Cc2ccc(Cl)cc2)c1 ZINC000072354656 558951793 /nfs/dbraw/zinc/95/17/93/558951793.db2.gz XWTZEPTVUVKBRM-IBGZPJMESA-N 0 1 407.905 3.815 40 0 HHABMN CCOc1ccc2c(c1)c(C(=O)NC1CCN(Cc3ccccn3)CC1)c(C)n2C ZINC000019661904 558952945 /nfs/dbraw/zinc/95/29/45/558952945.db2.gz SQMVIJKLKKGDFZ-UHFFFAOYSA-N 0 1 406.530 3.675 40 0 HHABMN Cc1ncsc1C(=O)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371522 558958370 /nfs/dbraw/zinc/95/83/70/558958370.db2.gz QGFXINHKKCIBFE-CQSZACIVSA-N 0 1 400.479 3.565 40 0 HHABMN COCCc1ncc(CN2CCC(c3ccc(Nc4ccccn4)cn3)CC2)cn1 ZINC000072374321 558961771 /nfs/dbraw/zinc/96/17/71/558961771.db2.gz WMQHITIGFNDFFM-UHFFFAOYSA-N 0 1 404.518 3.579 40 0 HHABMN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)c2)n1 ZINC000072374913 558962974 /nfs/dbraw/zinc/96/29/74/558962974.db2.gz RSVMLBMRMGFLSO-LJQANCHMSA-N 0 1 416.529 3.884 40 0 HHABMN CN(C)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395155 558974047 /nfs/dbraw/zinc/97/40/47/558974047.db2.gz HQUABUQSWVRAPV-PZJWPPBQSA-N 0 1 417.962 3.550 40 0 HHABMN CCC(CC)NC(=O)c1ccc2c(c1)[C@@H](c1nc[nH]n1)CN2C(=O)c1ccccc1 ZINC000096267837 559108478 /nfs/dbraw/zinc/10/84/78/559108478.db2.gz PBVMPIPBMFNQGB-IBGZPJMESA-N 0 1 403.486 3.515 40 0 HHABMN COc1ccc(CNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1OC ZINC000096625806 559111752 /nfs/dbraw/zinc/11/17/52/559111752.db2.gz NMUAJHDZWPFNBO-UHFFFAOYSA-N 0 1 402.922 3.886 40 0 HHABMN COc1ccc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1OC ZINC000096625888 559111780 /nfs/dbraw/zinc/11/17/80/559111780.db2.gz SYNFSOTXGKSMFP-UHFFFAOYSA-N 0 1 402.922 3.886 40 0 HHABMN COc1ccccc1-c1cccc(CC2(C(=O)NCCc3cnc[nH]3)CCOCC2)c1 ZINC000257327826 559283216 /nfs/dbraw/zinc/28/32/16/559283216.db2.gz XCWZTURKTJXGRW-UHFFFAOYSA-N 0 1 419.525 3.784 40 0 HHABMN COc1ccccc1-c1cccc(C[C@@]2(C(=O)N[C@H]3CCCN(C)C3)CCCO2)c1 ZINC000257262819 559284912 /nfs/dbraw/zinc/28/49/12/559284912.db2.gz LNBGYRWAOPEASZ-SQJMNOBHSA-N 0 1 408.542 3.664 40 0 HHABMN CCOc1cc(NS(=O)(=O)c2ccc(C)cc2)c(OCC)cc1NC(=O)CC ZINC000001324450 560573111 /nfs/dbraw/zinc/57/31/11/560573111.db2.gz LULOQGINHJWMJB-UHFFFAOYSA-N 0 1 406.504 3.942 40 0 HHABMN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000004987185 560619285 /nfs/dbraw/zinc/61/92/85/560619285.db2.gz WNCPCUJFEOMDGJ-LRDDRELGSA-N 0 1 409.273 3.596 40 0 HHABMN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000004987187 560619355 /nfs/dbraw/zinc/61/93/55/560619355.db2.gz WNCPCUJFEOMDGJ-BLLLJJGKSA-N 0 1 409.273 3.596 40 0 HHABMN COc1ccccc1CNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000408827780 560645659 /nfs/dbraw/zinc/64/56/59/560645659.db2.gz GYRIALRDOQTNCD-UHFFFAOYSA-N 0 1 415.537 3.947 40 0 HHABMN CCOC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000010112251 560764003 /nfs/dbraw/zinc/76/40/03/560764003.db2.gz SOECJRPSVISJRP-UHFFFAOYSA-N 0 1 424.478 3.916 40 0 HHABMN COc1ccc(OC)c(NC(=O)CN(c2n[nH]c(=S)s2)c2ccccc2)c1 ZINC000007275208 568479549 /nfs/dbraw/zinc/47/95/49/568479549.db2.gz DAFYZTMDAWWZIA-UHFFFAOYSA-N 0 1 402.501 3.995 40 0 HHABMN CCC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000222713235 568524528 /nfs/dbraw/zinc/52/45/28/568524528.db2.gz FVDASVPRDHLLGG-QMMMGPOBSA-N 0 1 423.347 3.564 40 0 HHABMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(C)c(N3CCCC3=O)c1)CCCC2 ZINC000224227667 568574458 /nfs/dbraw/zinc/57/44/58/568574458.db2.gz QNSUCEMTICKOOW-UHFFFAOYSA-N 0 1 414.527 3.810 40 0 HHABMN CCOc1ccc(-c2nnc([C@@H](N)c3ccc(OC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534489 568635885 /nfs/dbraw/zinc/63/58/85/568635885.db2.gz QCLUDPVOOYEONQ-FQEVSTJZSA-N 0 1 412.490 3.725 40 0 HHABMN Cc1nc2ccc(NC(=O)C[C@H]3CCCN(C(=O)c4cnc(C(C)C)nc4)C3)cc2[nH]1 ZINC000257317758 568809554 /nfs/dbraw/zinc/80/95/54/568809554.db2.gz VKZQUEVYKNKITR-MRXNPFEDSA-N 0 1 420.517 3.666 40 0 HHABMN O=C(CN1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CCCC1 ZINC000257319880 568810498 /nfs/dbraw/zinc/81/04/98/568810498.db2.gz VUKUTJUCYXUGMI-AWEZNQCLSA-N 0 1 408.424 3.604 40 0 HHABMN O=C(CN1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CCCC1 ZINC000257319881 568810521 /nfs/dbraw/zinc/81/05/21/568810521.db2.gz VUKUTJUCYXUGMI-CQSZACIVSA-N 0 1 408.424 3.604 40 0 HHABMN Cc1ncsc1CN1CCC2(CC1)c1ccccc1N(CC(C)C)S2(=O)=O ZINC000306141459 568902953 /nfs/dbraw/zinc/90/29/53/568902953.db2.gz VWVDIFRMOJGPSI-UHFFFAOYSA-N 0 1 405.589 3.749 40 0 HHABMN O=C([O-])CCCCC[N@@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575422320 569026211 /nfs/dbraw/zinc/02/62/11/569026211.db2.gz UWBMSVPTJCXGLM-OAQYLSRUSA-N 0 1 415.555 3.910 40 0 HHABMN CSc1nnc([C@@H]2CCCN2C(=O)[C@H](c2ccccc2)N2CCCC[C@H]2C)n1C ZINC000248018159 569316013 /nfs/dbraw/zinc/31/60/13/569316013.db2.gz HBZOVRZEMGDEEB-NEWSRXKRSA-N 0 1 413.591 3.816 40 0 HHABMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000005895861 569329034 /nfs/dbraw/zinc/32/90/34/569329034.db2.gz UHAYPVABNTWKJT-UDWIEESQSA-N 0 1 417.465 3.966 40 0 HHABMN Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)c(Cl)c1 ZINC000005986764 569329180 /nfs/dbraw/zinc/32/91/80/569329180.db2.gz XVPINXHCFZHIIS-UHFFFAOYSA-N 0 1 402.951 3.527 40 0 HHABMN COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OCc1ccccc1 ZINC000008477401 569341520 /nfs/dbraw/zinc/34/15/20/569341520.db2.gz IZYNSWCZFJDUHC-CPNJWEJPSA-N 0 1 420.465 3.679 40 0 HHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000008477311 569341546 /nfs/dbraw/zinc/34/15/46/569341546.db2.gz RNBPLAKBSKHFOC-CPNJWEJPSA-N 0 1 408.429 3.809 40 0 HHABMN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2)cc1 ZINC000008477246 569341579 /nfs/dbraw/zinc/34/15/79/569341579.db2.gz XOOSDCPOPSABLF-KGENOOAVSA-N 0 1 404.466 3.978 40 0 HHABMN Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)CN(Cc1cccc3ncccc13)C2 ZINC000019701570 569347353 /nfs/dbraw/zinc/34/73/53/569347353.db2.gz NMZLGZZMBRWVFN-LJQANCHMSA-N 0 1 415.472 3.846 40 0 HHABMN CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)n1 ZINC000328973739 571306079 /nfs/dbraw/zinc/30/60/79/571306079.db2.gz FDICZWBALLZGEO-QGZVFWFLSA-N 0 1 405.340 4.157 40 0 HHABMN O=C(Nc1ccccc1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298326 291259224 /nfs/dbraw/zinc/25/92/24/291259224.db2.gz GVJQUGKOTMFGIV-PMOQBDJRSA-N 0 1 407.562 3.750 40 0 biogenic,in-vitro HHABMN COc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1OC ZINC000044851762 523935141 /nfs/dbraw/zinc/93/51/41/523935141.db2.gz DESFEVQWMIYWNA-UHFFFAOYSA-N 0 1 414.521 3.804 40 0 HHABMN COc1ccc2cc(S(=O)(=O)NCCCN3CCc4ccccc4C3)ccc2c1 ZINC000224346534 525636764 /nfs/dbraw/zinc/63/67/64/525636764.db2.gz ZPEYZJNLHQDWTN-UHFFFAOYSA-N 0 1 410.539 3.575 40 0 HHABMN CCn1cc(CN2CCC(c3nc(C)c4c(n3)N(C3CCCC3)C(=O)CC4)CC2)cn1 ZINC000019739307 536051491 /nfs/dbraw/zinc/05/14/91/536051491.db2.gz KODRBPONMNSNHZ-UHFFFAOYSA-N 0 1 422.577 3.603 40 0 HHABMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(Cl)ccc2OC)ccc1OC ZINC000408585671 557489393 /nfs/dbraw/zinc/48/93/93/557489393.db2.gz IAIBQEHUHVPDQO-UHFFFAOYSA-N 0 1 414.867 3.726 40 0 HHABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000408588978 557495398 /nfs/dbraw/zinc/49/53/98/557495398.db2.gz DIBGVSBGCODMFK-UHFFFAOYSA-N 0 1 403.504 3.904 40 0 HHABMN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000408628904 557562987 /nfs/dbraw/zinc/56/29/87/557562987.db2.gz XVQBYEWEQPYDIJ-UHFFFAOYSA-N 0 1 401.271 3.843 40 0 HHABMN Cc1nc(CC(=O)N2CCCC[C@H]2c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)cs1 ZINC000019743437 558264007 /nfs/dbraw/zinc/26/40/07/558264007.db2.gz YQRWHBFTORHULO-ZDUSSCGKSA-N 0 1 424.452 3.620 40 0 HHABMN O=C(CN1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1)N1CCCCC1 ZINC000019744110 558264725 /nfs/dbraw/zinc/26/47/25/558264725.db2.gz WQPMAHGPKDNSJI-HSZRJFAPSA-N 0 1 411.590 3.540 40 0 HHABMN Cc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c(C)n1-c1cccnc1 ZINC000012089511 558324009 /nfs/dbraw/zinc/32/40/09/558324009.db2.gz LUJSDLVQXYJVTA-UHFFFAOYSA-N 0 1 412.497 3.605 40 0 HHABMN Cc1cc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)c(C)n1-c1cccnc1 ZINC000012089511 558324010 /nfs/dbraw/zinc/32/40/10/558324010.db2.gz LUJSDLVQXYJVTA-UHFFFAOYSA-N 0 1 412.497 3.605 40 0 HHABMN Cc1ccc2nc([C@@H]3CCCCN3C(=O)[C@@H](C)c3n[nH]c(=O)c4ccccc43)[nH]c2c1 ZINC000012116172 558328258 /nfs/dbraw/zinc/32/82/58/558328258.db2.gz AUPRNVRNDRQAKD-YWZLYKJASA-N 0 1 415.497 3.965 40 0 HHABMN O=C(c1ccc(CN2CCCCC2)o1)N1CCC[C@@H](c2nc3ccccc3c(=O)[nH]2)C1 ZINC000012145135 558336256 /nfs/dbraw/zinc/33/62/56/558336256.db2.gz PRNQDKAEHRQJBA-QGZVFWFLSA-N 0 1 420.513 3.522 40 0 HHABMN O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012186605 558345614 /nfs/dbraw/zinc/34/56/14/558345614.db2.gz KLXSBPJBUUNVLC-UHFFFAOYSA-N 0 1 415.946 3.652 40 0 HHABMN O=C(CN1CCC2(CC1)Nc1ccccc1C1=NCCCN12)Nc1ccccc1Cl ZINC000012233074 558358338 /nfs/dbraw/zinc/35/83/38/558358338.db2.gz DCXWKASQNLGSKB-UHFFFAOYSA-N 0 1 423.948 3.649 40 0 HHABMN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101077779 558826511 /nfs/dbraw/zinc/82/65/11/558826511.db2.gz ODAQEXPEXRLXOF-FSSWDIPSSA-N 0 1 400.434 3.746 40 0 HHABMN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125151 558844414 /nfs/dbraw/zinc/84/44/14/558844414.db2.gz UFTZCYGIYZTSLM-RTWAWAEBSA-N 0 1 403.469 3.966 40 0 HHABMN Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CCN(C(=O)c4ccn[nH]4)C3)c2)cc1 ZINC000019212583 558848852 /nfs/dbraw/zinc/84/88/52/558848852.db2.gz YDSYLANPOVBBDR-VWLOTQADSA-N 0 1 416.525 3.548 40 0 HHABMN CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019501425 558899513 /nfs/dbraw/zinc/89/95/13/558899513.db2.gz IJAXSOQSFPBBBV-FQEVSTJZSA-N 0 1 400.567 3.974 40 0 HHABMN CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019501425 558899515 /nfs/dbraw/zinc/89/95/15/558899515.db2.gz IJAXSOQSFPBBBV-FQEVSTJZSA-N 0 1 400.567 3.974 40 0 HHABMN CCC[C@@H](C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1)n1nc(C)cc1C ZINC000019501800 558899939 /nfs/dbraw/zinc/89/99/39/558899939.db2.gz BDXGKYKPAPPDLQ-RBBKRZOGSA-N 0 1 407.518 3.747 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019503199 558900372 /nfs/dbraw/zinc/90/03/72/558900372.db2.gz HRFKRLPXOMRKRQ-OAQYLSRUSA-N 0 1 416.525 3.630 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2ccccc2-c2cccs2)C1=O ZINC000019503310 558900588 /nfs/dbraw/zinc/90/05/88/558900588.db2.gz RILUHTYMDLHZMI-GOSISDBHSA-N 0 1 422.554 3.692 40 0 HHABMN CCN1CCN(Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527712 558908946 /nfs/dbraw/zinc/90/89/46/558908946.db2.gz UYSLGQQFNWYFON-HSZRJFAPSA-N 0 1 414.553 3.975 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000072330577 558935036 /nfs/dbraw/zinc/93/50/36/558935036.db2.gz FCJWSRJSGDQLJE-XJABCFGWSA-N 0 1 415.484 3.608 40 0 HHABMN CN(C)C(=O)CN1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349537 558946387 /nfs/dbraw/zinc/94/63/87/558946387.db2.gz AIGPKPPMYRDKBQ-KRWDZBQOSA-N 0 1 405.464 3.959 40 0 HHABMN FC(F)(F)c1cccc(OCCc2cc([C@@H]3CCN(c4ncccn4)C3)[nH]n2)c1 ZINC000072371389 558958163 /nfs/dbraw/zinc/95/81/63/558958163.db2.gz FRNONJHCXQWCKX-CQSZACIVSA-N 0 1 403.408 3.834 40 0 HHABMN CCn1cc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)cn1 ZINC000019689800 558959236 /nfs/dbraw/zinc/95/92/36/558959236.db2.gz GQASPPLMWUNYNO-OAQYLSRUSA-N 0 1 406.534 3.772 40 0 HHABMN COc1ccc(NC(=O)[C@H]2C[C@@H](CC(C)C)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000064197646 558962470 /nfs/dbraw/zinc/96/24/70/558962470.db2.gz AMUPFGDCAJZQCJ-HFXUHXBXSA-N 0 1 411.477 3.645 40 0 HHABMN Cc1ccc2n[nH]c(C(=O)N3CC[C@H](c4cc(-c5ccc(N)nc5)cc(C)n4)C3)c2c1 ZINC000072374729 558962656 /nfs/dbraw/zinc/96/26/56/558962656.db2.gz JLKVSSPYKUTKDB-KRWDZBQOSA-N 0 1 412.497 3.849 40 0 HHABMN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)n1 ZINC000072374853 558962960 /nfs/dbraw/zinc/96/29/60/558962960.db2.gz QKDMYOHWJRACFD-QGZVFWFLSA-N 0 1 420.492 3.881 40 0 HHABMN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 ZINC000072374951 558963334 /nfs/dbraw/zinc/96/33/34/558963334.db2.gz OIGNKSRLKIVXRE-GOSISDBHSA-N 0 1 404.518 3.899 40 0 HHABMN COc1ccccc1CCC1CCN(C(=O)c2cc(-c3cn(C)nc3C)[nH]n2)CC1 ZINC000019718967 558982580 /nfs/dbraw/zinc/98/25/80/558982580.db2.gz IYMCTGDLIBFNBD-UHFFFAOYSA-N 0 1 407.518 3.612 40 0 HHABMN O=S(=O)(Cc1ccccc1)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096046625 559091930 /nfs/dbraw/zinc/09/19/30/559091930.db2.gz FIQLMWYPWRPECH-UHFFFAOYSA-N 0 1 402.535 3.644 40 0 HHABMN O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053228 559093097 /nfs/dbraw/zinc/09/30/97/559093097.db2.gz SQGNKJGDBCXGEN-NRFANRHFSA-N 0 1 405.542 3.995 40 0 HHABMN Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)C=Cc4c[nH]cn4)C3)c2)n1 ZINC000585291094 559123646 /nfs/dbraw/zinc/12/36/46/559123646.db2.gz KAOUWIRBPQKAGB-GFOMBABLSA-N 0 1 402.502 3.980 40 0 HHABMN COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCc3cnc[nH]3)CCCO2)c1 ZINC000072345658 559181900 /nfs/dbraw/zinc/18/19/00/559181900.db2.gz DDWDLFJINIQGMX-XMMPIXPASA-N 0 1 405.498 3.536 40 0 HHABMN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000004987189 560619339 /nfs/dbraw/zinc/61/93/39/560619339.db2.gz WNCPCUJFEOMDGJ-WBMJQRKESA-N 0 1 409.273 3.596 40 0 HHABMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)c1 ZINC000005002924 560620439 /nfs/dbraw/zinc/62/04/39/560620439.db2.gz NLXLJWLFTNXLLP-VRHCTWJESA-N 0 1 404.532 3.619 40 0 HHABMN CCOCCN1CCN(c2c3c(nc4cc(-c5ccc(F)cc5)nn42)CCCC3)CC1 ZINC000004980653 560622919 /nfs/dbraw/zinc/62/29/19/560622919.db2.gz DCMARSIFALSUOD-UHFFFAOYSA-N 0 1 423.536 3.573 40 0 HHABMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(Br)cc1 ZINC000003035113 560732885 /nfs/dbraw/zinc/73/28/85/560732885.db2.gz SNGHNQHBMQHHLT-KRWDZBQOSA-N 0 1 401.260 3.777 40 0 HHABMN CC(C)CCn1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020141973 560881588 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FC(F)(F)Oc1cccc(NC(=S)N2CCN(C3CCSCC3)CC2)c1 ZINC000225217692 568624075 /nfs/dbraw/zinc/62/40/75/568624075.db2.gz SPWNSZSVNQJCKN-UHFFFAOYSA-N 0 1 405.511 3.795 40 0 HHABMN Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(=O)Nc4ccnn4C4CCCC4)C[C@@H]32)ncn1 ZINC000257199629 568775955 /nfs/dbraw/zinc/77/59/55/568775955.db2.gz AAEVIUFAPOFLHC-WOIUINJBSA-N 0 1 422.577 3.626 40 0 HHABMN Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)Nc3ccccc3F)CC2)n1 ZINC000257227483 568784121 /nfs/dbraw/zinc/78/41/21/568784121.db2.gz FPMUOHMXOOEEBJ-UHFFFAOYSA-N 0 1 420.492 3.881 40 0 HHABMN Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)n1 ZINC000257239634 568787382 /nfs/dbraw/zinc/78/73/82/568787382.db2.gz HQEJIECQYRNACO-GFCCVEGCSA-N 0 1 404.446 3.811 40 0 HHABMN Cc1cc(C)nc(N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)n1 ZINC000257277419 568797667 /nfs/dbraw/zinc/79/76/67/568797667.db2.gz NXWTZDZEPHGMLJ-FQEVSTJZSA-N 0 1 413.909 3.669 40 0 HHABMN Cc1nc2ccc(NC(=O)CN3CCOC[C@@H](Cc4cccc5occc54)C3)cc2[nH]1 ZINC000257278022 568798013 /nfs/dbraw/zinc/79/80/13/568798013.db2.gz OALILLQHAJPVGZ-KRWDZBQOSA-N 0 1 418.497 3.747 40 0 HHABMN CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@H]3N(C(C)=O)CCC[C@@]32C)n[nH]1 ZINC000257285166 568799925 /nfs/dbraw/zinc/79/99/25/568799925.db2.gz PFXTUBQNAFDQDJ-VWNXMTODSA-N 0 1 424.545 3.871 40 0 HHABMN Cc1cc(Nc2ncccn2)cc(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000257328384 568812578 /nfs/dbraw/zinc/81/25/78/568812578.db2.gz XFJNGHSLXYJKIL-UHFFFAOYSA-N 0 1 420.492 3.881 40 0 HHABMN COc1ccc(CN2CCC3(CC2)c2ccccc2N(CC(C)C)S3(=O)=O)cc1 ZINC000306138253 568900162 /nfs/dbraw/zinc/90/01/62/568900162.db2.gz RTMGHLKGCHPSNQ-UHFFFAOYSA-N 0 1 414.571 3.992 40 0 HHABMN OCCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000329068757 568975616 /nfs/dbraw/zinc/97/56/16/568975616.db2.gz YSOAWYBUNUCYDK-UHFFFAOYSA-N 0 1 405.285 3.538 40 0 HHABMN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCN(c3ccccc3F)CC1)C2 ZINC000035075031 569027795 /nfs/dbraw/zinc/02/77/95/569027795.db2.gz FCZWGBJWUCDVIA-PKWOTWBQSA-N 0 1 404.570 3.930 40 0 HHABMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1 ZINC000007078253 569336773 /nfs/dbraw/zinc/33/67/73/569336773.db2.gz QXHMICBQZMGNTL-DLRWLJPMSA-N 0 1 410.495 3.704 40 0 HHABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000007605354 569337987 /nfs/dbraw/zinc/33/79/87/569337987.db2.gz NKQSFVZSEMPPCV-UHFFFAOYSA-N 0 1 401.879 3.814 40 0 HHABMN C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OCC ZINC000008477294 569341506 /nfs/dbraw/zinc/34/15/06/569341506.db2.gz UQQQCVXENDFMOL-XNTDXEJSSA-N 0 1 418.877 3.708 40 0 HHABMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC ZINC000008477293 569341508 /nfs/dbraw/zinc/34/15/08/569341508.db2.gz VPIPNFCUFUJYKO-NTEUORMPSA-N 0 1 406.866 3.542 40 0 HHABMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000008477380 569341565 /nfs/dbraw/zinc/34/15/65/569341565.db2.gz AQBAWEWRNPSYRY-KMHUVPDISA-N 0 1 420.893 3.930 40 0 HHABMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccccc2Br)n1 ZINC000010475528 569344428 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Cc1sc2nc(C)n(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)CC3)c(=O)c2c1C ZINC000012116279 558328612 /nfs/dbraw/zinc/32/86/12/558328612.db2.gz CWLWORDHLJVWQF-UHFFFAOYSA-N 0 1 413.547 3.707 40 0 HHABMN COc1ccc(-c2ncc(CN3CCC(O)(c4ccccc4OC)CC3)cn2)cc1 ZINC000012292878 558365919 /nfs/dbraw/zinc/36/59/19/558365919.db2.gz FXNAVZGGMVEZDA-UHFFFAOYSA-N 0 1 405.498 3.644 40 0 HHABMN COc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)oc21 ZINC000020489395 558377424 /nfs/dbraw/zinc/37/74/24/558377424.db2.gz QJAKLASWHKTCFQ-UHFFFAOYSA-N 0 1 423.450 3.890 40 0 HHABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000015437537 558740054 /nfs/dbraw/zinc/74/00/54/558740054.db2.gz MVEHNYYZXYUUFA-UHFFFAOYSA-N 0 1 412.467 3.514 40 0 HHABMN COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000035586279 558793782 /nfs/dbraw/zinc/79/37/82/558793782.db2.gz NCPYNQDHIIBZIX-IUBSTNSRSA-N 0 1 404.595 3.656 40 0 HHABMN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc(OC)c(OC)c1)CCCC3 ZINC000045506740 558837245 /nfs/dbraw/zinc/83/72/45/558837245.db2.gz AAEYHJGXSUBKQJ-HXUWFJFHSA-N 0 1 423.513 3.954 40 0 HHABMN Cc1cc(C(=O)NCc2ccc(-c3[nH]ncc3C(=O)N(C)c3ccccc3)cc2)on1 ZINC000019120069 558842816 /nfs/dbraw/zinc/84/28/16/558842816.db2.gz CTGXLWGZRHBWRW-UHFFFAOYSA-N 0 1 415.453 3.580 40 0 HHABMN COc1cc(CN2CCN(CC3(c4ccc(C)cc4)CC3)CC2)cc(OC)c1OC ZINC000019208411 558847499 /nfs/dbraw/zinc/84/74/99/558847499.db2.gz JBLRAYWEILAFLD-UHFFFAOYSA-N 0 1 410.558 3.870 40 0 HHABMN Cc1ccc([C@@H]2CN(CC(=O)N(C)CCc3ccccc3)C[C@H]2c2csnn2)cc1 ZINC000019211938 558848602 /nfs/dbraw/zinc/84/86/02/558848602.db2.gz MSTJGKRWVOWJKA-FCHUYYIVSA-N 0 1 420.582 3.731 40 0 HHABMN O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019293556 558865365 /nfs/dbraw/zinc/86/53/65/558865365.db2.gz NXZQZSWDRNDMHR-OAQYLSRUSA-N 0 1 424.520 3.989 40 0 HHABMN O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1)[C@@H]1CCCO1 ZINC000019400548 558883110 /nfs/dbraw/zinc/88/31/10/558883110.db2.gz DWHQBTCVRJYDIW-BULFRSBZSA-N 0 1 415.484 3.608 40 0 HHABMN CC(C)c1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3-c3ccccc3)C2)n[nH]1 ZINC000019451869 558889956 /nfs/dbraw/zinc/88/99/56/558889956.db2.gz NAWKQSUMKAGECW-HXUWFJFHSA-N 0 1 416.525 3.631 40 0 HHABMN C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000019497342 558896180 /nfs/dbraw/zinc/89/61/80/558896180.db2.gz HMMNKOULHLHRHL-HOTGVXAUSA-N 0 1 416.953 3.692 40 0 HHABMN CCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccs4)n3)C2)cn1 ZINC000019520527 558901365 /nfs/dbraw/zinc/90/13/65/558901365.db2.gz CRQJZXOECVRVBO-OAHLLOKOSA-N 0 1 413.572 3.780 40 0 HHABMN CCN(CC)[C@H](CNC(=O)c1nn2cccnc2c1Cl)c1ccccc1Cl ZINC000019526293 558907731 /nfs/dbraw/zinc/90/77/31/558907731.db2.gz OYYWXVNXNCURLI-OAHLLOKOSA-N 0 1 406.317 3.849 40 0 HHABMN CCN1CCN(Cc2ccncc2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527452 558908717 /nfs/dbraw/zinc/90/87/17/558908717.db2.gz GETWEKBQRAGOMT-XMMPIXPASA-N 0 1 400.526 3.667 40 0 HHABMN COc1ccc(C[NH2+][C@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)cc1 ZINC000019555875 558918722 /nfs/dbraw/zinc/91/87/22/558918722.db2.gz AEQLYBIZUCOBDD-HSZRJFAPSA-N 0 1 412.493 3.914 40 0 HHABMN COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2NC(=O)c2ccco2)cc1OC ZINC000019561457 558922100 /nfs/dbraw/zinc/92/21/00/558922100.db2.gz ZRJCOBPHKJFGPB-UXHICEINSA-N 0 1 406.482 3.695 40 0 HHABMN Cc1noc2nc([C@H]3CCCN(Cc4cnc(N(C)C)nc4)C3)cc(C(F)F)c12 ZINC000019564403 558924443 /nfs/dbraw/zinc/92/44/43/558924443.db2.gz QBRGVWSAZJFCQY-AWEZNQCLSA-N 0 1 402.449 3.704 40 0 HHABMN COc1cccc(CN2CCNC(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)c1 ZINC000019565372 558925442 /nfs/dbraw/zinc/92/54/42/558925442.db2.gz NZAMGVHELKIYBQ-HSZRJFAPSA-N 0 1 401.510 3.548 40 0 HHABMN COc1ccccc1C[NH2+][C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019570841 558929510 /nfs/dbraw/zinc/92/95/10/558929510.db2.gz WMIAJKFPHHEPMN-JOCHJYFZSA-N 0 1 412.493 3.914 40 0 HHABMN CCn1cncc1CN1CCC([C@H](NC(=O)c2ccccc2C)c2ccccn2)CC1 ZINC000019578599 558934287 /nfs/dbraw/zinc/93/42/87/558934287.db2.gz IZLYTZYXAAEDCJ-DEOSSOPVSA-N 0 1 417.557 3.990 40 0 HHABMN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)n1 ZINC000061132610 558944671 /nfs/dbraw/zinc/94/46/71/558944671.db2.gz VWSUOYPFTRZSBD-UHFFFAOYSA-N 0 1 403.530 3.552 40 0 HHABMN O=C(CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)NCCc1c[nH]c2ccccc12 ZINC000019656873 558949439 /nfs/dbraw/zinc/94/94/39/558949439.db2.gz UQGUFZSIBXHBOR-GOSISDBHSA-N 0 1 415.541 3.658 40 0 HHABMN O=C(c1ccn[nH]1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359699 558955365 /nfs/dbraw/zinc/95/53/65/558955365.db2.gz RDJNWQVLFFWZGU-UHFFFAOYSA-N 0 1 401.392 3.905 40 0 HHABMN Cc1cc(C)n(Cc2cccc(CNC(=O)Cc3nc4ccc(Cl)cc4[nH]3)c2)n1 ZINC000019665356 558955633 /nfs/dbraw/zinc/95/56/33/558955633.db2.gz TUJUFRSVLXDHER-UHFFFAOYSA-N 0 1 407.905 3.937 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000019665350 558955688 /nfs/dbraw/zinc/95/56/88/558955688.db2.gz YVNWPOYWOHPLJK-QFIPXVFZSA-N 0 1 421.888 3.665 40 0 HHABMN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)Cc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000019665350 558955690 /nfs/dbraw/zinc/95/56/90/558955690.db2.gz YVNWPOYWOHPLJK-QFIPXVFZSA-N 0 1 421.888 3.665 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1 ZINC000019666480 558956287 /nfs/dbraw/zinc/95/62/87/558956287.db2.gz MZAGFOZRPRANII-QHCPKHFHSA-N 0 1 413.481 3.905 40 0 HHABMN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1cnc(N(C)C)nc1 ZINC000072370563 558956984 /nfs/dbraw/zinc/95/69/84/558956984.db2.gz RYUFKVHHBVGREJ-KRWDZBQOSA-N 0 1 423.586 3.714 40 0 HHABMN O=C(Cc1ccccn1)N1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1 ZINC000072374520 558962121 /nfs/dbraw/zinc/96/21/21/558962121.db2.gz GQWMZQOMAZAXIJ-OAQYLSRUSA-N 0 1 412.497 3.871 40 0 HHABMN COc1ccc2c(c1)c([C@H]1CN(Cc3cccc(F)c3F)C[C@@H]1NC(C)=O)cn2C ZINC000072395552 558974476 /nfs/dbraw/zinc/97/44/76/558974476.db2.gz ZVPRXWXGFIFUGZ-CTNGQTDRSA-N 0 1 413.468 3.569 40 0 HHABMN COc1ccc(-c2cc(C(=O)Nc3ncc(-c4ccc(F)cc4)n3C)[nH]n2)c(OC)c1 ZINC000019716244 558977936 /nfs/dbraw/zinc/97/79/36/558977936.db2.gz YCDKSPNEBPNUBG-UHFFFAOYSA-N 0 1 421.432 3.886 40 0 HHABMN CCn1nc(C(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)c2ccccc2c1=O ZINC000019717031 558979391 /nfs/dbraw/zinc/97/93/91/558979391.db2.gz NTZJPHRVWGVTFL-UHFFFAOYSA-N 0 1 401.348 3.564 40 0 HHABMN Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)c2)n1 ZINC000585292626 559125260 /nfs/dbraw/zinc/12/52/60/559125260.db2.gz PTVHRLGTINGWMQ-JBVUFVISSA-N 0 1 416.529 3.990 40 0 HHABMN CCOc1cc(-c2n[nH]c(-c3ccc(I)cc3)n2)ccc1O ZINC000085384617 559171408 /nfs/dbraw/zinc/17/14/08/559171408.db2.gz SIECSHBAWNFVFP-UHFFFAOYSA-N 0 1 407.211 3.848 40 0 HHABMN CCOc1cc(-c2nc(-c3ccc(I)cc3)n[nH]2)ccc1O ZINC000085384617 559171410 /nfs/dbraw/zinc/17/14/10/559171410.db2.gz SIECSHBAWNFVFP-UHFFFAOYSA-N 0 1 407.211 3.848 40 0 HHABMN O=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)N1 ZINC000408916900 560653311 /nfs/dbraw/zinc/65/33/11/560653311.db2.gz IFCHKCGXCVDUDG-RIYZIHGNSA-N 0 1 407.651 3.862 40 0 HHABMN O=C(CN1C(=O)S/C(=C\c2cc(Cl)cc(Cl)c2O)C1=O)N1CCCCC1 ZINC000106765848 560746278 /nfs/dbraw/zinc/74/62/78/560746278.db2.gz DACUWSMHCDLXKF-QPEQYQDCSA-N 0 1 415.298 3.748 40 0 HHABMN O=S(=O)(Nc1cccc2ccccc21)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000013585702 560817090 /nfs/dbraw/zinc/81/70/90/560817090.db2.gz MEIXUWKHIPRUTL-UHFFFAOYSA-N 0 1 412.492 3.679 40 0 HHABMN CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)on3)sc2C)cc1 ZINC000013996561 560831954 /nfs/dbraw/zinc/83/19/54/560831954.db2.gz CSDXWWGHIGSGTB-UHFFFAOYSA-N 0 1 419.484 3.609 40 0 HHABMN Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000216413520 568465115 /nfs/dbraw/zinc/46/51/15/568465115.db2.gz JAYWPOFUWIAIRP-UHFFFAOYSA-N 0 1 413.524 3.922 40 0 HHABMN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000223292714 568544222 /nfs/dbraw/zinc/54/42/22/568544222.db2.gz CATZQUQWBVKIOQ-RUDMXATFSA-N 0 1 418.824 3.919 40 0 HHABMN CN1CCN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)CC1 ZINC000223911450 568562813 /nfs/dbraw/zinc/56/28/13/568562813.db2.gz OQFKIDHKVPVXJL-UHFFFAOYSA-N 0 1 407.543 3.580 40 0 HHABMN COc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000224536860 568584026 /nfs/dbraw/zinc/58/40/26/568584026.db2.gz YJNFHTWKAQVVOE-UHFFFAOYSA-N 0 1 402.922 3.756 40 0 HHABMN CCCC[C@H](CC)CNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000225120782 568615535 /nfs/dbraw/zinc/61/55/35/568615535.db2.gz TXIFMLHCYFLCFP-AWEZNQCLSA-N 0 1 410.565 3.594 40 0 HHABMN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(-c3ccc(C)cc3)[nH]n1)C2 ZINC000257202870 568777016 /nfs/dbraw/zinc/77/70/16/568777016.db2.gz ANUBVVRAHNVSNA-STCFVSJZSA-N 0 1 406.530 3.779 40 0 HHABMN Cc1ncsc1CN1CCC(c2c3nccnc3sc2C(=O)N(C)C)CC1 ZINC000257220806 568782283 /nfs/dbraw/zinc/78/22/83/568782283.db2.gz DMFOUQVDAHQZKY-UHFFFAOYSA-N 0 1 401.561 3.538 40 0 HHABMN COc1cccc(-c2cc(C(=O)N3CCCC[C@H]3c3ccc4c(N)[nH]nc4n3)no2)c1 ZINC000257225273 568783505 /nfs/dbraw/zinc/78/35/05/568783505.db2.gz FFOBUCNKYWBZSL-SFHVURJKSA-N 0 1 418.457 3.571 40 0 HHABMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000257266938 568794812 /nfs/dbraw/zinc/79/48/12/568794812.db2.gz MFFGNRGSLAFLHN-HDICACEKSA-N 0 1 424.545 3.598 40 0 HHABMN Cc1nc([C@@H]2CCN(Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257267285 568794832 /nfs/dbraw/zinc/79/48/32/568794832.db2.gz MGPZKMXPCHIEOA-GOSISDBHSA-N 0 1 400.954 3.803 40 0 HHABMN Cc1nn(C)cc1CN1CCO[C@@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000257267262 568794871 /nfs/dbraw/zinc/79/48/71/568794871.db2.gz MGOUMUAAMGQTPA-XMMPIXPASA-N 0 1 423.561 3.770 40 0 HHABMN O=C(N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cccc(Br)c1O ZINC000257289017 568801187 /nfs/dbraw/zinc/80/11/87/568801187.db2.gz PWQSATOINYZQQX-ZHALLVOQSA-N 0 1 420.303 3.636 40 0 HHABMN Cc1ccc2c(CC(=O)N3CC[C@H](c4[nH]ncc4-c4ccnc(N)c4)C3)coc2c1C ZINC000257290125 568801443 /nfs/dbraw/zinc/80/14/43/568801443.db2.gz QBROHCDHBQJVCN-KRWDZBQOSA-N 0 1 415.497 3.976 40 0 HHABMN COc1cccc(CNc2cc(-c3cn[nH]c3C3CCN(C(C)=O)CC3)ccn2)c1 ZINC000257290346 568801605 /nfs/dbraw/zinc/80/16/05/568801605.db2.gz QCONKTLIYMOJHV-UHFFFAOYSA-N 0 1 405.502 3.818 40 0 HHABMN Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257310551 568807605 /nfs/dbraw/zinc/80/76/05/568807605.db2.gz UFOUFWDNQXYDCD-INIZCTEOSA-N 0 1 422.510 3.991 40 0 HHABMN O=C(c1ccccc1)N1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257337066 568815169 /nfs/dbraw/zinc/81/51/69/568815169.db2.gz YRFXKCNOQIPINB-OAQYLSRUSA-N 0 1 411.889 3.898 40 0 HHABMN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccc(OC)c4)C[C@H]32)cc1 ZINC000306123152 568886437 /nfs/dbraw/zinc/88/64/37/568886437.db2.gz AFSJFKAZZFBECZ-BJKOFHAPSA-N 0 1 417.509 3.587 40 0 HHABMN COc1cccc(CN2C[C@H]3[C@H](C2)N(Cc2ccc(F)cc2)C(=O)c2cccn23)c1 ZINC000306128276 568891151 /nfs/dbraw/zinc/89/11/51/568891151.db2.gz GVVMNHSXINQNPB-GOTSBHOMSA-N 0 1 405.473 3.717 40 0 HHABMN COc1cccc(CN2CC[C@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)c1 ZINC000306139640 568901662 /nfs/dbraw/zinc/90/16/62/568901662.db2.gz TWLPSFHIBTUMQQ-QHCPKHFHSA-N 0 1 405.523 3.956 40 0 HHABMN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccc(F)cc4)C[C@H]32)cc1 ZINC000306142643 568904212 /nfs/dbraw/zinc/90/42/12/568904212.db2.gz XFKHANSNBGKSCT-XZOQPEGZSA-N 0 1 405.473 3.717 40 0 HHABMN CCn1nc(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCCCC4)c1C ZINC000002778647 568932010 /nfs/dbraw/zinc/93/20/10/568932010.db2.gz UENHCURCURGIPD-UHFFFAOYSA-N 0 1 413.547 3.643 40 0 HHABMN CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000328978241 568970873 /nfs/dbraw/zinc/97/08/73/568970873.db2.gz FXDDHBHAHIZFTA-GOSISDBHSA-N 0 1 424.467 3.929 40 0 HHABMN CCc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329029767 568973796 /nfs/dbraw/zinc/97/37/96/568973796.db2.gz QBAPFHCKSPKCPP-GOSISDBHSA-N 0 1 419.367 3.793 40 0 HHABMN COc1ccccc1N1CCN(C[C@@H](O)CCO[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1 ZINC000035075050 569027786 /nfs/dbraw/zinc/02/77/86/569027786.db2.gz JRQXNTBMVRMIHL-VYVQKFEUSA-N 0 1 416.606 3.800 40 0 HHABMN COc1ccccc1N1CCN(C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000026781037 569047861 /nfs/dbraw/zinc/04/78/61/569047861.db2.gz HZLDQCXPYGXAMB-NYLDSWQDSA-N 0 1 404.595 3.800 40 0 HHABMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000008477310 569341536 /nfs/dbraw/zinc/34/15/36/569341536.db2.gz FEVRRIVHDIPTJE-QGOAFFKASA-N 0 1 408.429 3.809 40 0 HHABMN Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1 ZINC000008477316 569341552 /nfs/dbraw/zinc/34/15/52/569341552.db2.gz ZNMHVPFBNQAOBX-XSFVSMFZSA-N 0 1 404.466 3.978 40 0 HHABMN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000019567738 569345632 /nfs/dbraw/zinc/34/56/32/569345632.db2.gz NYOKLTCMXIMYEY-VQIMIIECSA-N 0 1 415.559 3.640 40 0 HHABMN Cc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1Cl ZINC000033788382 569351394 /nfs/dbraw/zinc/35/13/94/569351394.db2.gz AHORRDFLSLESRW-UHFFFAOYSA-N 0 1 402.951 3.527 40 0 HHABMN Cc1ccccc1N1Oc2c(O)n(-c3ccc(F)cc3)c(O)c2[C@H]1c1ccncc1 ZINC000012916573 569405023 /nfs/dbraw/zinc/40/50/23/569405023.db2.gz XJZAFMJCRHXMSW-NJDAHSKKSA-N 0 1 403.413 3.580 40 0 HHABMN Cc1nc(-c2ccco2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)Cc2cccs2)n1 ZINC000020462774 963389042 /nfs/dbraw/zinc/38/90/42/963389042.db2.gz GOBCDBQOTPKVIT-SCTDSRPQSA-N 0 1 422.554 3.643 40 0 biogenic,in-vitro HHABMN Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)Cc2cccs2)n1 ZINC000020462774 963389048 /nfs/dbraw/zinc/38/90/48/963389048.db2.gz GOBCDBQOTPKVIT-SCTDSRPQSA-N 0 1 422.554 3.643 40 0 biogenic,in-vitro HHABMN CC(C)(C)C(=O)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000032116638 518572666 /nfs/dbraw/zinc/57/26/66/518572666.db2.gz KPFOPKCLGBCSQL-UHFFFAOYSA-N 0 1 410.131 3.776 40 0 HHABMN CN1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000408533742 557317842 /nfs/dbraw/zinc/31/78/42/557317842.db2.gz OZYGTKBLAYOBJV-UHFFFAOYSA-N 0 1 420.300 3.579 40 0 HHABMN CCOC(=O)c1ccc(N2C(=O)C[C@@H](Nc3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 ZINC000002729875 557371399 /nfs/dbraw/zinc/37/13/99/557371399.db2.gz WTPYPQGTVZUDJC-OAHLLOKOSA-N 0 1 423.252 3.620 40 0 HHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2Cl)c1 ZINC000408546309 557383990 /nfs/dbraw/zinc/38/39/90/557383990.db2.gz DSDJUXWFHVEAKQ-UHFFFAOYSA-N 0 1 404.875 3.972 40 0 HHABMN Clc1ccc2nc(C3CCN(Cc4nnnn4Cc4cccs4)CC3)[nH]c2c1 ZINC000035291764 557679770 /nfs/dbraw/zinc/67/97/70/557679770.db2.gz FXBMQHKSQATPFO-UHFFFAOYSA-N 0 1 413.938 3.692 40 0 HHABMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000019927838 558308311 /nfs/dbraw/zinc/30/83/11/558308311.db2.gz WGEWZQBFQFCLRJ-ZKYQVNSYSA-N 0 1 407.337 3.631 40 0 HHABMN COC(=O)c1cc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc2s1 ZINC000020029808 558323936 /nfs/dbraw/zinc/32/39/36/558323936.db2.gz XSICARLZUKFYPM-UHFFFAOYSA-N 0 1 407.469 3.506 40 0 HHABMN COc1ccc(C2(C(=O)N[C@@H](C)c3n[nH]c(-c4ccncc4)n3)CCCCC2)cc1 ZINC000012114861 558327511 /nfs/dbraw/zinc/32/75/11/558327511.db2.gz KYVYOOCUDKJVKG-INIZCTEOSA-N 0 1 405.502 3.955 40 0 HHABMN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CN[C@H](C)c3ccc4c(c3)OCCO4)cc12 ZINC000012186467 558345636 /nfs/dbraw/zinc/34/56/36/558345636.db2.gz PCDCTAZSAIISHT-OAHLLOKOSA-N 0 1 416.481 3.644 40 0 HHABMN O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccccc2Cl)CC1 ZINC000013266956 558528378 /nfs/dbraw/zinc/52/83/78/558528378.db2.gz ZYWFVJUVZCOOMF-UHFFFAOYSA-N 0 1 415.946 3.652 40 0 HHABMN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC ZINC000013679149 558565746 /nfs/dbraw/zinc/56/57/46/558565746.db2.gz UXHHGWCXZNYYHQ-UHFFFAOYSA-N 0 1 422.812 3.528 40 0 HHABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000026528297 558662358 /nfs/dbraw/zinc/66/23/58/558662358.db2.gz ZDAYGVKTHXZQML-UHFFFAOYSA-N 0 1 409.769 3.826 40 0 HHABMN O=C(N[C@H]1CCCOC1)c1cc(C2CCN(Cc3cccc(Cl)c3)CC2)no1 ZINC000019293395 558865138 /nfs/dbraw/zinc/86/51/38/558865138.db2.gz RFYRECRWMTZDPJ-SFHVURJKSA-N 0 1 403.910 3.616 40 0 HHABMN O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019370385 558878602 /nfs/dbraw/zinc/87/86/02/558878602.db2.gz VWTYPWDKTDFTLR-DHLKQENFSA-N 0 1 400.526 3.789 40 0 HHABMN CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3cc(C(C)C)[nH]n3)CC2)C1 ZINC000019451716 558889705 /nfs/dbraw/zinc/88/97/05/558889705.db2.gz NMXHDICKJMBOCL-UHFFFAOYSA-N 0 1 424.545 3.728 40 0 HHABMN CCC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000019499248 558897462 /nfs/dbraw/zinc/89/74/62/558897462.db2.gz KHKJKRFPQFOTBI-MGPUTAFESA-N 0 1 403.548 3.640 40 0 HHABMN CCC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000019499245 558897575 /nfs/dbraw/zinc/89/75/75/558897575.db2.gz KHKJKRFPQFOTBI-QRWLVFNGSA-N 0 1 403.548 3.640 40 0 HHABMN CCc1n[nH]c(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)c1C ZINC000019520990 558902248 /nfs/dbraw/zinc/90/22/48/558902248.db2.gz MZSKGUJQKSOGFK-UHFFFAOYSA-N 0 1 418.476 3.775 40 0 HHABMN CCN1CCN(Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527398 558908507 /nfs/dbraw/zinc/90/85/07/558908507.db2.gz BWSUURNNFUUOSR-XMMPIXPASA-N 0 1 414.553 3.975 40 0 HHABMN CCN1CCN(Cc2cccnc2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527402 558908547 /nfs/dbraw/zinc/90/85/47/558908547.db2.gz FSYDZQHICVTNCW-XMMPIXPASA-N 0 1 400.526 3.667 40 0 HHABMN CCN1CCN(Cc2cccnc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527403 558908602 /nfs/dbraw/zinc/90/86/02/558908602.db2.gz FSYDZQHICVTNCW-DEOSSOPVSA-N 0 1 400.526 3.667 40 0 HHABMN CCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000019527614 558908905 /nfs/dbraw/zinc/90/89/05/558908905.db2.gz VCVGNBWOPRLMGH-OAQYLSRUSA-N 0 1 416.525 3.548 40 0 HHABMN COc1ccc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4ccccn4)n3)CC2)c(OC)c1 ZINC000019552222 558915924 /nfs/dbraw/zinc/91/59/24/558915924.db2.gz HUJYABJZPZLKSL-UHFFFAOYSA-N 0 1 406.486 3.641 40 0 HHABMN COc1cccc(CN2CCC(c3cc(C(=O)N4CCCCC4)on3)CC2)c1OC ZINC000019567661 558926830 /nfs/dbraw/zinc/92/68/30/558926830.db2.gz JSDIAMGBFUDDBQ-UHFFFAOYSA-N 0 1 413.518 3.698 40 0 HHABMN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000072337784 558938080 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0 1 410.493 3.610 40 0 HHABMN COc1ccccc1CCC(=O)N1CC[C@H](c2cc(Nc3ncccn3)cc(C)n2)C1 ZINC000257279973 568798492 /nfs/dbraw/zinc/79/84/92/568798492.db2.gz OIYGNVBNHNLBPQ-IBGZPJMESA-N 0 1 417.513 3.881 40 0 HHABMN Cc1ncsc1CN1CCC[C@@H]1c1ccc2c(N)c(C(=O)N(C)C)sc2n1 ZINC000257281400 568798994 /nfs/dbraw/zinc/79/89/94/568798994.db2.gz OOZGAOPUARDUKY-CQSZACIVSA-N 0 1 401.561 3.682 40 0 HHABMN CN(C)C(=O)c1sc2nc([C@@]3(C)CCCN(Cc4cncs4)C3)ccc2c1N ZINC000257290676 568801681 /nfs/dbraw/zinc/80/16/81/568801681.db2.gz QDXAKIPAHXNMFM-FQEVSTJZSA-N 0 1 415.588 3.591 40 0 HHABMN Clc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306129932 568892283 /nfs/dbraw/zinc/89/22/83/568892283.db2.gz IRCYABBMVSIKGV-SFHVURJKSA-N 0 1 411.937 3.599 40 0 HHABMN CC(C)c1nc2c(s1)CN(C(=O)C1CC1)CC21CCN(Cc2cccnc2)CC1 ZINC000306137176 568899099 /nfs/dbraw/zinc/89/90/99/568899099.db2.gz QNPNXHDQIHYMJP-UHFFFAOYSA-N 0 1 410.587 3.948 40 0 HHABMN COc1cccc(CN2CC[C@@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)c1 ZINC000306139639 568901588 /nfs/dbraw/zinc/90/15/88/568901588.db2.gz TWLPSFHIBTUMQQ-HSZRJFAPSA-N 0 1 405.523 3.956 40 0 HHABMN CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329070876 568975840 /nfs/dbraw/zinc/97/58/40/568975840.db2.gz ZKOQCDTWZWFDCQ-CYBMUJFWSA-N 0 1 405.340 3.718 40 0 HHABMN Cc1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)c(C(C)(C)C)c1 ZINC000027531062 569047363 /nfs/dbraw/zinc/04/73/63/569047363.db2.gz YXKZGVIKVVBUAB-NRFANRHFSA-N 0 1 400.538 3.994 40 0 HHABMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C ZINC000006026928 569329344 /nfs/dbraw/zinc/32/93/44/569329344.db2.gz LJBCJOZMYYDFEZ-DEDYPNTBSA-N 0 1 417.465 3.912 40 0 HHABMN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 ZINC000008477183 569341558 /nfs/dbraw/zinc/34/15/58/569341558.db2.gz ANWGKKRHGCNFTK-FYJGNVAPSA-N 0 1 415.449 3.542 40 0 HHABMN COc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000009062710 569342227 /nfs/dbraw/zinc/34/22/27/569342227.db2.gz NAWHRBSCGJLVKC-KRWDZBQOSA-N 0 1 400.494 3.630 40 0 HHABMN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000019560956 569345683 /nfs/dbraw/zinc/34/56/83/569345683.db2.gz XNXDUYBJVOOIQD-YLJYHZDGSA-N 0 1 415.559 3.640 40 0 HHABMN Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCN(C(=O)c5ccccc5)C4)ccc32)n1 ZINC000019704429 569347696 /nfs/dbraw/zinc/34/76/96/569347696.db2.gz UDBGHJRNLGRNMX-GOSISDBHSA-N 0 1 412.497 3.903 40 0 HHABMN CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)NC(=S)N1 ZINC000023987979 569349879 /nfs/dbraw/zinc/34/98/79/569349879.db2.gz ZKCSBSFEILKUII-OAHLLOKOSA-N 0 1 413.337 3.594 40 0 HHABMN O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccc(F)cc1 ZINC000038173399 569351699 /nfs/dbraw/zinc/35/16/99/569351699.db2.gz LUGXTDYIQMGXAE-UHFFFAOYSA-N 0 1 423.267 3.810 40 0 HHABMN COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccc(OC)cc3[nH]2)c1 ZINC000408558419 557455751 /nfs/dbraw/zinc/45/57/51/557455751.db2.gz UMXWXUJEHOOSOS-UHFFFAOYSA-N 0 1 405.863 3.742 40 0 HHABMN COc1cccc(CNc2cc(CC3CCN(Cc4ccnn4C)CC3)nc(C)n2)c1 ZINC000019752160 558271992 /nfs/dbraw/zinc/27/19/92/558271992.db2.gz HUOYUENQUVXJTI-UHFFFAOYSA-N 0 1 420.561 3.594 40 0 HHABMN CC1CCC(N(CC(=O)N2[C@@H]3CC[C@H]2Cc2nnsc23)Cc2ccco2)CC1 ZINC000012235699 558358798 /nfs/dbraw/zinc/35/87/98/558358798.db2.gz VWNFRHCXCFUZMA-IADFQQGMSA-N 0 1 400.548 3.800 40 0 HHABMN COc1cc(C)c(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)cc1OC ZINC000012344464 558386568 /nfs/dbraw/zinc/38/65/68/558386568.db2.gz HCMHYZLFAKKNMC-UHFFFAOYSA-N 0 1 400.494 3.779 40 0 HHABMN COc1ccc2c(c1)CN(C(C)=O)C[C@H]([C@H]1CCCN(Cc3ccccc3F)C1)O2 ZINC000012407699 558398436 /nfs/dbraw/zinc/39/84/36/558398436.db2.gz CVVADQOJEXTCJE-YADARESESA-N 0 1 412.505 3.856 40 0 HHABMN CC[C@@H]1c2ccsc2CCN1Cc1ccc(OCCN2CCOCC2)c(OC)c1 ZINC000036741532 558802216 /nfs/dbraw/zinc/80/22/16/558802216.db2.gz QJUNHDBMSPINDY-HXUWFJFHSA-N 0 1 416.587 3.977 40 0 HHABMN Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(Cc3cccnc3)C2)on1 ZINC000019122239 558843731 /nfs/dbraw/zinc/84/37/31/558843731.db2.gz VAWHDFKYAKGKSH-IBGZPJMESA-N 0 1 404.518 3.815 40 0 HHABMN Cc1cccc(CN2CCN(C)C(=O)[C@H](Cc3cccc(-c4cccnc4)c3)C2)n1 ZINC000019236287 558855291 /nfs/dbraw/zinc/85/52/91/558855291.db2.gz RJHMSSCWLFLZSO-HSZRJFAPSA-N 0 1 400.526 3.585 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@H](C)n2c(C)nc3ccccc32)cc1 ZINC000019286664 558860568 /nfs/dbraw/zinc/86/05/68/558860568.db2.gz BFUFAXITLCNFKI-NPMXOYFQSA-N 0 1 415.497 3.812 40 0 HHABMN O=c1cc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)nc(-c2cnccn2)[nH]1 ZINC000019292894 558864794 /nfs/dbraw/zinc/86/47/94/558864794.db2.gz IJHLTRMINBBYHH-CQSZACIVSA-N 0 1 416.312 3.913 40 0 HHABMN O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CCN(Cc2cccnc2)CC1 ZINC000019370427 558878671 /nfs/dbraw/zinc/87/86/71/558878671.db2.gz JNPGECSVGHDXIH-RUZDIDTESA-N 0 1 400.526 3.789 40 0 HHABMN O=C(c1[nH]ncc1Cl)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 ZINC000019405741 558884865 /nfs/dbraw/zinc/88/48/65/558884865.db2.gz SANQWNVNHAYUOJ-UHFFFAOYSA-N 0 1 423.908 3.509 40 0 HHABMN CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1cc(C(C)C)[nH]n1)Cc1ccccc1O2 ZINC000019451935 558889865 /nfs/dbraw/zinc/88/98/65/558889865.db2.gz HHRUJKKCUXVJCC-UHFFFAOYSA-N 0 1 424.545 3.728 40 0 HHABMN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C(C)(C)C)[n-]c(=O)c3C2)CC1 ZINC000019495971 558894785 /nfs/dbraw/zinc/89/47/85/558894785.db2.gz UKFAYRZDONEYQG-RJYAGPCLSA-N 0 1 400.567 3.829 40 0 HHABMN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C(C)(C)C)[n-]c(=O)c3C2)CC1 ZINC000019495971 558894787 /nfs/dbraw/zinc/89/47/87/558894787.db2.gz UKFAYRZDONEYQG-RJYAGPCLSA-N 0 1 400.567 3.829 40 0 HHABMN C[C@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000019497333 558896158 /nfs/dbraw/zinc/89/61/58/558896158.db2.gz CVWXBAAMDBGOQY-HOTGVXAUSA-N 0 1 416.953 3.692 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O ZINC000019502997 558900389 /nfs/dbraw/zinc/90/03/89/558900389.db2.gz DEVIOYOLUPGPQB-QFIPXVFZSA-N 0 1 416.525 3.630 40 0 HHABMN CCN1CCN(Cc2cccnc2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527718 558909053 /nfs/dbraw/zinc/90/90/53/558909053.db2.gz OEXWWNNEEGQGQR-HSZRJFAPSA-N 0 1 400.526 3.667 40 0 HHABMN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1CN1CCN(C)CC1 ZINC000019561116 558921896 /nfs/dbraw/zinc/92/18/96/558921896.db2.gz DKTOUOOOBKBWKP-UHFFFAOYSA-N 0 1 407.543 3.513 40 0 HHABMN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000072337782 558937990 /nfs/dbraw/zinc/93/79/90/558937990.db2.gz DZBKPGVPPVYZQS-RXVVDRJESA-N 0 1 422.554 3.930 40 0 HHABMN COC(=O)[C@@]1(Cc2ccccc2F)C(=O)C[C@@H]2CC[C@H]1N2Cc1cccc(OC)c1 ZINC000072340199 558939080 /nfs/dbraw/zinc/93/90/80/558939080.db2.gz GWYJRECSVIZORY-SNYIIPAISA-N 0 1 411.473 3.542 40 0 HHABMN CN(C(=O)c1cn[nH]c1-c1ccc(CNC(=O)c2ccccn2)cc1)c1ccccc1 ZINC000019586782 558939696 /nfs/dbraw/zinc/93/96/96/558939696.db2.gz KNTZJNSRRIXYQP-UHFFFAOYSA-N 0 1 411.465 3.678 40 0 HHABMN CCc1n[nH]c(C(=O)NCc2cccc(-c3nn(C)cc3-c3ccncc3)c2)c1C ZINC000072344980 558941451 /nfs/dbraw/zinc/94/14/51/558941451.db2.gz UGPXBTGGMGAMPO-UHFFFAOYSA-N 0 1 400.486 3.673 40 0 HHABMN COCCOc1cccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccccn3)n2)c1 ZINC000019593793 558944838 /nfs/dbraw/zinc/94/48/38/558944838.db2.gz VOPDTBQEGVUCEW-JOCHJYFZSA-N 0 1 420.513 3.997 40 0 HHABMN COc1cccc(Cc2cccc([C@H]3CCCN(CC(=O)N4CCCCC4)C3)n2)c1 ZINC000072348714 558945475 /nfs/dbraw/zinc/94/54/75/558945475.db2.gz YQAGFDZYXIYSPA-NRFANRHFSA-N 0 1 407.558 3.873 40 0 HHABMN CCn1cc(CN2CC[C@@H](c3c4ccccc4sc3C(=O)N3CCOCC3)C2)cn1 ZINC000072352193 558948294 /nfs/dbraw/zinc/94/82/94/558948294.db2.gz XEPNYYFFYDMPDB-GOSISDBHSA-N 0 1 424.570 3.580 40 0 HHABMN O=C(CN1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1ccnc1 ZINC000019658486 558950533 /nfs/dbraw/zinc/95/05/33/558950533.db2.gz CCKBUXMRQZCPAY-GOSISDBHSA-N 0 1 414.513 3.642 40 0 HHABMN Cc1ccc2n[nH]c(C(=O)N3CC[C@@H](c4cc(-c5cnn(C)c5)cc(C)n4)C3)c2c1 ZINC000072374728 558962619 /nfs/dbraw/zinc/96/26/19/558962619.db2.gz CUMCYNMLDJCGMP-MRXNPFEDSA-N 0 1 400.486 3.605 40 0 HHABMN Cc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1I ZINC000072414266 558978002 /nfs/dbraw/zinc/97/80/02/558978002.db2.gz GRCSPKQJHORKLM-UHFFFAOYSA-N 0 1 424.263 3.949 40 0 HHABMN COCCNC(=O)C[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)Oc2ccccc21 ZINC000096053371 559093306 /nfs/dbraw/zinc/09/33/06/559093306.db2.gz FEGNXMJLOBZKGX-IBGZPJMESA-N 0 1 412.530 3.642 40 0 HHABMN CN1CCCN(C(=O)c2ccc3onc(-c4coc(-c5cccs5)n4)c3c2)CC1 ZINC000096154377 559098924 /nfs/dbraw/zinc/09/89/24/559098924.db2.gz BRIZJRCVUIHJTP-UHFFFAOYSA-N 0 1 408.483 3.989 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1C(=O)N1CCCC1 ZINC000113941072 559182417 /nfs/dbraw/zinc/18/24/17/559182417.db2.gz GRTLYTHPNCOJKU-UHFFFAOYSA-N 0 1 418.515 3.519 40 0 HHABMN COc1ccccc1-c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3COC(=O)NC(C)C)nc(C)n1 ZINC000008622891 560209743 /nfs/dbraw/zinc/20/97/43/560209743.db2.gz DZNQHEDLILTUNZ-NSHGMRRFSA-N 0 1 424.545 3.773 40 0 biogenic,in-vitro HHABMN COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3COC(=O)NC(C)C)nc(C)n1 ZINC000008622891 560209745 /nfs/dbraw/zinc/20/97/45/560209745.db2.gz DZNQHEDLILTUNZ-NSHGMRRFSA-N 0 1 424.545 3.773 40 0 biogenic,in-vitro HHABMN O=C(CSc1nc(-c2ccccc2O)n[nH]1)Nc1ccc(Br)cc1 ZINC000005522539 560627019 /nfs/dbraw/zinc/62/70/19/560627019.db2.gz BYRUEISMQMSDPY-UHFFFAOYSA-N 0 1 405.277 3.671 40 0 HHABMN COc1cccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000102706417 560732016 /nfs/dbraw/zinc/73/20/16/560732016.db2.gz XIRGTAFIESYEAK-FDFHNCONSA-N 0 1 418.424 3.885 40 0 HHABMN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000006288026 560740991 /nfs/dbraw/zinc/74/09/91/560740991.db2.gz ZTWBLFOGRSQFAA-UHFFFAOYSA-N 0 1 404.539 3.718 40 0 HHABMN Cc1nc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccccc1Cl ZINC000013639819 560826360 /nfs/dbraw/zinc/82/63/60/560826360.db2.gz OYTFQMBTURQVNB-UHFFFAOYSA-N 0 1 408.933 3.645 40 0 HHABMN CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)on3)sc2C)c1 ZINC000013996555 560831939 /nfs/dbraw/zinc/83/19/39/560831939.db2.gz QRZRATSZHABOLD-UHFFFAOYSA-N 0 1 419.484 3.609 40 0 HHABMN COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)c1 ZINC000014152563 560838990 /nfs/dbraw/zinc/83/89/90/560838990.db2.gz CHCXALZIGSBGIH-UHFFFAOYSA-N 0 1 416.890 3.566 40 0 HHABMN CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000014153417 560839164 /nfs/dbraw/zinc/83/91/64/560839164.db2.gz PYCKMOIAXIYOPF-UHFFFAOYSA-N 0 1 424.950 3.914 40 0 HHABMN COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Cc2noc(C(C)C)n2)cc1 ZINC000223024515 568534535 /nfs/dbraw/zinc/53/45/35/568534535.db2.gz QZOVLNWXULUALE-UHFFFAOYSA-N 0 1 405.451 3.732 40 0 HHABMN CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(C)=O)cc1Cl ZINC000223253003 568542736 /nfs/dbraw/zinc/54/27/36/568542736.db2.gz SLKQMMJLFFMJHK-UHFFFAOYSA-N 0 1 413.879 3.759 40 0 HHABMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)cc21 ZINC000223345151 568545981 /nfs/dbraw/zinc/54/59/81/568545981.db2.gz NHDUGBODVBAUIU-UHFFFAOYSA-N 0 1 406.769 3.605 40 0 HHABMN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(Cl)cc21 ZINC000223363961 568546590 /nfs/dbraw/zinc/54/65/90/568546590.db2.gz JEKCJRHRKWPSHW-UHFFFAOYSA-N 0 1 405.234 3.861 40 0 HHABMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)c(C)c1 ZINC000223592170 568552576 /nfs/dbraw/zinc/55/25/76/568552576.db2.gz BIJZXKHLYDBLLL-UHFFFAOYSA-N 0 1 403.500 3.860 40 0 HHABMN O=S(=O)(Cc1c(F)cccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000223648965 568554858 /nfs/dbraw/zinc/55/48/58/568554858.db2.gz JFOXFPYEZVITBT-UHFFFAOYSA-N 0 1 416.261 3.802 40 0 HHABMN COc1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000224536589 568584012 /nfs/dbraw/zinc/58/40/12/568584012.db2.gz UCKGPWRNEHJIJZ-UHFFFAOYSA-N 0 1 402.922 3.756 40 0 HHABMN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)c4cnc[nH]4)CC3)CO[C@H]21 ZINC000257223993 568783154 /nfs/dbraw/zinc/78/31/54/568783154.db2.gz DZVMCJAVODOJJH-QFBILLFUSA-N 0 1 411.502 3.590 40 0 HHABMN c1cnc2cccc(C[C@@H]3COCCN(Cc4ccnc(N5CCCCC5)n4)C3)c2c1 ZINC000257284021 568799539 /nfs/dbraw/zinc/79/95/39/568799539.db2.gz PAXYGWULZFEWDU-FQEVSTJZSA-N 0 1 417.557 3.706 40 0 HHABMN COc1cc(C)ccc1CNc1cc(-c2cn[nH]c2[C@H]2CCN(C(C)=O)C2)ccn1 ZINC000257293680 568802622 /nfs/dbraw/zinc/80/26/22/568802622.db2.gz QQRRFEJXRDKCDQ-IBGZPJMESA-N 0 1 405.502 3.737 40 0 HHABMN O=C1O[C@@]2(CCN(Cc3cccc(Oc4ncccn4)c3)C2)CN1Cc1ccccc1 ZINC000257322371 568811170 /nfs/dbraw/zinc/81/11/70/568811170.db2.gz WFSGUIWWSPHDRT-XMMPIXPASA-N 0 1 416.481 3.866 40 0 HHABMN COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cn(C)cn4)CC3)CO[C@H]21 ZINC000257339336 568815773 /nfs/dbraw/zinc/81/57/73/568815773.db2.gz ZBHBJIXUNQXJGA-PZJWPPBQSA-N 0 1 411.546 3.960 40 0 HHABMN COc1ncccc1CN1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306124399 568887524 /nfs/dbraw/zinc/88/75/24/568887524.db2.gz BOOGIPSOMOCOHP-LJQANCHMSA-N 0 1 400.486 3.575 40 0 HHABMN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccc(F)cc4)C[C@H]32)cc1 ZINC000306142640 568904239 /nfs/dbraw/zinc/90/42/39/568904239.db2.gz XFKHANSNBGKSCT-DHIUTWEWSA-N 0 1 405.473 3.717 40 0 HHABMN CC(C)c1nc(NCCCO)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329065646 568975301 /nfs/dbraw/zinc/97/53/01/568975301.db2.gz XTDUJSUXCKKDIS-UHFFFAOYSA-N 0 1 410.440 3.856 40 0 HHABMN COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)cc1Cl ZINC000226262230 569278680 /nfs/dbraw/zinc/27/86/80/569278680.db2.gz JAAWFRDHUAYDHF-UHFFFAOYSA-N 0 1 409.317 3.588 40 0 HHABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000007360397 569337229 /nfs/dbraw/zinc/33/72/29/569337229.db2.gz BZNHFRQGUXFZEZ-UHFFFAOYSA-N 0 1 402.516 3.739 40 0 HHABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000007610300 569337997 /nfs/dbraw/zinc/33/79/97/569337997.db2.gz FYBLIMWZBFRMEN-UHFFFAOYSA-N 0 1 401.879 3.814 40 0 HHABMN C=CCc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(OCC)c1OCC ZINC000008477305 569341544 /nfs/dbraw/zinc/34/15/44/569341544.db2.gz IZWKXTSALRRZET-QGOAFFKASA-N 0 1 412.486 3.617 40 0 HHABMN COC(=O)CCCCN[C@@H]1c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000044136637 523005742 /nfs/dbraw/zinc/00/57/42/523005742.db2.gz LMFWHCAIQATTKM-HXUWFJFHSA-N 0 1 422.934 3.501 40 0 in-vitro HHABMN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044847641 525321723 /nfs/dbraw/zinc/32/17/23/525321723.db2.gz WIDXQZPLMOMGFF-MRXNPFEDSA-N 0 1 411.483 3.597 40 0 HHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408567427 557465637 /nfs/dbraw/zinc/46/56/37/557465637.db2.gz DSWHYDJAXKWQKX-UHFFFAOYSA-N 0 1 422.312 3.784 40 0 HHABMN COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O ZINC000008168535 557774268 /nfs/dbraw/zinc/77/42/68/557774268.db2.gz LPTUJBQZHKPDRU-UHFFFAOYSA-N 0 1 401.271 3.843 40 0 HHABMN COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C2CCOCC2)nc1C ZINC000019753425 558272711 /nfs/dbraw/zinc/27/27/11/558272711.db2.gz YPYQGRYKXNIROT-HXUWFJFHSA-N 0 1 410.518 3.752 40 0 HHABMN COc1cccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000019927779 558308339 /nfs/dbraw/zinc/30/83/39/558308339.db2.gz JHSCYSVYVZDQMK-UHFFFAOYSA-N 0 1 419.304 3.974 40 0 HHABMN COc1ccc(C2(C(=O)N[C@H](C)c3n[nH]c(-c4ccncc4)n3)CCCCC2)cc1 ZINC000012114862 558327560 /nfs/dbraw/zinc/32/75/60/558327560.db2.gz KYVYOOCUDKJVKG-MRXNPFEDSA-N 0 1 405.502 3.955 40 0 HHABMN Cc1ccc2nc([C@H]3CCCCN3C(=O)[C@H](C)c3n[nH]c(=O)c4ccccc43)[nH]c2c1 ZINC000012116169 558328271 /nfs/dbraw/zinc/32/82/71/558328271.db2.gz AUPRNVRNDRQAKD-FOIQADDNSA-N 0 1 415.497 3.965 40 0 HHABMN CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(OC)c(OC)c2)C1 ZINC000012365815 558388230 /nfs/dbraw/zinc/38/82/30/558388230.db2.gz HGXGWBLBQOCZFZ-OXQOHEQNSA-N 0 1 403.548 3.640 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c(Cl)c1Cl ZINC000022518259 558494322 /nfs/dbraw/zinc/49/43/22/558494322.db2.gz CHXIBLJYYCEOJZ-UHFFFAOYSA-N 0 1 415.298 3.930 40 0 HHABMN CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cc4c(cc3Cl)OCO4)CC[C@@H]21 ZINC000019019494 558837568 /nfs/dbraw/zinc/83/75/68/558837568.db2.gz CMFMTJJKANRVDA-LNLFQRSKSA-N 0 1 418.946 3.967 40 0 HHABMN Cc1ccc2nc([C@H]3CCCN3C(=O)[C@H](C)n3cnc4ccccc4c3=O)[nH]c2c1 ZINC000019221503 558851930 /nfs/dbraw/zinc/85/19/30/558851930.db2.gz MOEIBBNJWQVYQG-MGPUTAFESA-N 0 1 401.470 3.506 40 0 HHABMN O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2ccncc2)CC1 ZINC000019370429 558878554 /nfs/dbraw/zinc/87/85/54/558878554.db2.gz VHUKIOAFRUQMCY-VWLOTQADSA-N 0 1 400.526 3.789 40 0 HHABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C(C)(C)C)[n-]c(=O)c3C2)CC1 ZINC000019495972 558894869 /nfs/dbraw/zinc/89/48/69/558894869.db2.gz UKFAYRZDONEYQG-LADRWXRNSA-N 0 1 400.567 3.829 40 0 HHABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)C(C)(C)C)[n-]c(=O)c3C2)CC1 ZINC000019495972 558894870 /nfs/dbraw/zinc/89/48/70/558894870.db2.gz UKFAYRZDONEYQG-LADRWXRNSA-N 0 1 400.567 3.829 40 0 HHABMN CC[C@@H](C)C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019499820 558897825 /nfs/dbraw/zinc/89/78/25/558897825.db2.gz ADSQQGFMIKJEGU-HZPDHXFCSA-N 0 1 414.575 3.554 40 0 HHABMN CCN1CCN(Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527758 558908984 /nfs/dbraw/zinc/90/89/84/558908984.db2.gz VTDZKDIGXHNOBD-HSZRJFAPSA-N 0 1 414.553 3.975 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2ccnc(N3CCCCC3)c2)cc1 ZINC000019554000 558916997 /nfs/dbraw/zinc/91/69/97/558916997.db2.gz PUWBEJZJVDNSPG-QHCPKHFHSA-N 0 1 417.513 3.592 40 0 HHABMN CC(C)(C)c1cc2nc(C3CCN(C(=O)c4ccn[nH]4)CC3)cc(C(F)(F)F)n2n1 ZINC000072341086 558939511 /nfs/dbraw/zinc/93/95/11/558939511.db2.gz CPDSPOMBWZQWQW-UHFFFAOYSA-N 0 1 420.439 3.789 40 0 HHABMN Cc1nc([C@@H]2CCCCN2C2CCOCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000072345451 558941923 /nfs/dbraw/zinc/94/19/23/558941923.db2.gz XNYZRYLYWVPHDA-NRFANRHFSA-N 0 1 412.509 3.560 40 0 HHABMN COCCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019593718 558944917 /nfs/dbraw/zinc/94/49/17/558944917.db2.gz BSHRAHJMSWBMBK-JOCHJYFZSA-N 0 1 420.513 3.584 40 0 HHABMN CCc1nc2ccccc2n1CC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000019654648 558948004 /nfs/dbraw/zinc/94/80/04/558948004.db2.gz RECGJLXVDDICBV-DEOSSOPVSA-N 0 1 415.497 3.505 40 0 HHABMN COCCc1ncc(CN2CCC[C@@H](c3ccc(Nc4ncccc4C)cn3)C2)cn1 ZINC000072353456 558950463 /nfs/dbraw/zinc/95/04/63/558950463.db2.gz AQAWUDXJPGXXRS-HXUWFJFHSA-N 0 1 418.545 3.887 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2cn3cc(Cl)ccc3n2)cc1 ZINC000019660768 558952020 /nfs/dbraw/zinc/95/20/20/558952020.db2.gz PSOLCBWKTNQCOG-HXUWFJFHSA-N 0 1 407.861 3.507 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2nc3cc(Cl)ccc3n2C)cc1 ZINC000019663182 558954042 /nfs/dbraw/zinc/95/40/42/558954042.db2.gz BECUMNDUACGGQN-HXUWFJFHSA-N 0 1 421.888 3.746 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2sc(N3CCCC3)nc2C)cc1 ZINC000019663604 558954372 /nfs/dbraw/zinc/95/43/72/558954372.db2.gz NDSKLWCYZXAENR-LJQANCHMSA-N 0 1 423.542 3.571 40 0 HHABMN CC1CCN(c2ncc(CN3CCC([C@@]4(C)CCCCN(C)C4=O)CC3)cn2)CC1 ZINC000072371976 558959310 /nfs/dbraw/zinc/95/93/10/558959310.db2.gz VVNPPMYPIGFOEN-XMMPIXPASA-N 0 1 413.610 3.574 40 0 HHABMN COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(nc4cc(C)[n-]n4c2=O)C3)cc1OC(C)C ZINC000072373131 558960852 /nfs/dbraw/zinc/96/08/52/558960852.db2.gz DKLYDRPNHJYBIL-ZWKOTPCHSA-N 0 1 422.529 3.671 40 0 HHABMN Nc1[nH]nc2nc([C@@H]3CCCCN3C(=O)Cc3ccccc3)cc(C(F)(F)F)c12 ZINC000019695543 558964161 /nfs/dbraw/zinc/96/41/61/558964161.db2.gz NAGUYLHUTQGCDC-HNNXBMFYSA-N 0 1 403.408 3.855 40 0 HHABMN COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4ccccn4)CC3)C2=O)c1 ZINC000019703738 558967792 /nfs/dbraw/zinc/96/77/92/558967792.db2.gz ZDYYLFUOFLEXGP-XMMPIXPASA-N 0 1 405.542 3.907 40 0 HHABMN Cc1ncsc1C(=O)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000019703641 558967826 /nfs/dbraw/zinc/96/78/26/558967826.db2.gz CBJNPNPHGWQZLL-SFHVURJKSA-N 0 1 400.479 3.913 40 0 HHABMN O=C(Cc1ccccn1)N1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc12 ZINC000585105738 559026791 /nfs/dbraw/zinc/02/67/91/559026791.db2.gz QGNSIPDRWGXJGC-UHFFFAOYSA-N 0 1 412.537 3.595 40 0 HHABMN O=C(C[C@H]1CC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053226 559093115 /nfs/dbraw/zinc/09/31/15/559093115.db2.gz SGVQHKUZLBZCCD-NRFANRHFSA-N 0 1 405.542 3.995 40 0 HHABMN CN1CCCN(C(=O)c2nc(-c3cn(CC4CCCCC4)cn3)n3ccccc23)CC1 ZINC000096155136 559099326 /nfs/dbraw/zinc/09/93/26/559099326.db2.gz HPWYNMGJFXFOPN-UHFFFAOYSA-N 0 1 420.561 3.556 40 0 HHABMN COC1(COc2ccc(C)cc2C)CCN(CC(=O)NCc2cccc(F)c2)CC1 ZINC000585272835 559117098 /nfs/dbraw/zinc/11/70/98/559117098.db2.gz JVHPNFWSOQSQGB-UHFFFAOYSA-N 0 1 414.521 3.619 40 0 HHABMN Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 ZINC000585274535 559118671 /nfs/dbraw/zinc/11/86/71/559118671.db2.gz WECMHZVHCKXGFM-SANMLTNESA-N 0 1 424.585 3.728 40 0 HHABMN Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)c2)n1 ZINC000585292627 559125346 /nfs/dbraw/zinc/12/53/46/559125346.db2.gz PTVHRLGTINGWMQ-YXBWYFRISA-N 0 1 416.529 3.990 40 0 HHABMN COc1cccc2[nH]c(C[C@H]3C[N@@H+](Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289341 560032960 /nfs/dbraw/zinc/03/29/60/560032960.db2.gz QQBBTDPAOXZWDO-IRXDYDNUSA-N 0 1 411.477 3.866 40 0 biogenic,in-vitro HHABMN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000004987191 560619315 /nfs/dbraw/zinc/61/93/15/560619315.db2.gz WNCPCUJFEOMDGJ-MLGOLLRUSA-N 0 1 409.273 3.596 40 0 HHABMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@H]2CCC[C@@H](C)C2)c1 ZINC000005002923 560620407 /nfs/dbraw/zinc/62/04/07/560620407.db2.gz NLXLJWLFTNXLLP-XFHNUULXSA-N 0 1 404.532 3.619 40 0 HHABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc3ccccc32)c1 ZINC000021595652 568467642 /nfs/dbraw/zinc/46/76/42/568467642.db2.gz ULKBSSHLZIFTMA-UHFFFAOYSA-N 0 1 403.482 3.631 40 0 HHABMN CCc1cc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)ccc1OC ZINC000223689182 568556281 /nfs/dbraw/zinc/55/62/81/568556281.db2.gz URUWVMMOMYPGNB-UHFFFAOYSA-N 0 1 407.488 3.632 40 0 HHABMN CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000028469903 568631422 /nfs/dbraw/zinc/63/14/22/568631422.db2.gz NNXOQVQHCGUJOP-MRXNPFEDSA-N 0 1 421.862 3.864 40 0 HHABMN CC1(C)Oc2ccc(O)cc2[C@H]2O[C@H]3CC[N@@H+](Cc4cccc(C(=O)[O-])c4)[C@@H]3C[C@@H]21 ZINC000257224190 568783312 /nfs/dbraw/zinc/78/33/12/568783312.db2.gz FARRAQKGUUDOQY-YUVXSKOASA-N 0 1 409.482 3.982 40 0 HHABMN CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccn[nH]2)CC1 ZINC000257236554 568786580 /nfs/dbraw/zinc/78/65/80/568786580.db2.gz HCSFMHDVMUVBEF-UHFFFAOYSA-N 0 1 422.554 3.739 40 0 HHABMN CCCOc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3N(C(C)=O)CCC[C@@]32C)n[nH]1 ZINC000257285165 568799937 /nfs/dbraw/zinc/79/99/37/568799937.db2.gz PFXTUBQNAFDQDJ-UPVQGACJSA-N 0 1 424.545 3.871 40 0 HHABMN Cc1nc2ccc(NC(=O)C[C@@H]3CCCN(C(=O)c4cnc(C(C)C)nc4)C3)cc2[nH]1 ZINC000257317757 568809574 /nfs/dbraw/zinc/80/95/74/568809574.db2.gz VKZQUEVYKNKITR-INIZCTEOSA-N 0 1 420.517 3.666 40 0 HHABMN COc1ccc(CN2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cc1 ZINC000306137259 568899093 /nfs/dbraw/zinc/89/90/93/568899093.db2.gz QQUWORYBDAPESN-XMMPIXPASA-N 0 1 413.525 3.894 40 0 HHABMN CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329001635 568971887 /nfs/dbraw/zinc/97/18/87/568971887.db2.gz KFLWKLBHLQWGRP-GOSISDBHSA-N 0 1 424.467 3.929 40 0 HHABMN CN1CCN(c2ccc(N)cc2NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000226259411 569278625 /nfs/dbraw/zinc/27/86/25/569278625.db2.gz RCHBQCHUQUTAQZ-UHFFFAOYSA-N 0 1 423.742 3.689 40 0 HHABMN COc1c(Cl)cc(C(=O)Nc2ccc(N3CCN(C)CC3)c(N)c2)cc1Cl ZINC000226263927 569278943 /nfs/dbraw/zinc/27/89/43/569278943.db2.gz KYAWRWIMFNLAKC-UHFFFAOYSA-N 0 1 409.317 3.588 40 0 HHABMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2C)C(=O)NC1=S ZINC000006969390 569336662 /nfs/dbraw/zinc/33/66/62/569336662.db2.gz QFFYLICEUNKDRY-SAPNQHFASA-N 0 1 417.490 3.626 40 0 HHABMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000007468817 569337572 /nfs/dbraw/zinc/33/75/72/569337572.db2.gz SMNAJWRJVZSJBO-KGENOOAVSA-N 0 1 420.513 3.565 40 0 HHABMN C=CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000010131057 569343021 /nfs/dbraw/zinc/34/30/21/569343021.db2.gz RSQBMWYIAKCOCT-QGOAFFKASA-N 0 1 422.506 3.654 40 0 HHABMN O=C(c1cc(C2CC2)[nH]n1)N1CCC2(CC1)CC=CCN(Cc1ccc(F)cc1)C2=O ZINC000019744778 569348713 /nfs/dbraw/zinc/34/87/13/569348713.db2.gz JXUPPYAOKJCOOR-UHFFFAOYSA-N 0 1 422.504 3.637 40 0 HHABMN CN(C)CCNc1nc(-c2cccnc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328981810 571304560 /nfs/dbraw/zinc/30/45/60/571304560.db2.gz GWRBWMVRSYFWNN-UHFFFAOYSA-N 0 1 418.332 4.258 40 0 HHABMN CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1 ZINC000329032881 571306077 /nfs/dbraw/zinc/30/60/77/571306077.db2.gz QQXZSMCUWFQCSQ-QGZVFWFLSA-N 0 1 405.340 4.157 40 0 HHABMN COc1ccc(CC2=CN(C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020459281 571314679 /nfs/dbraw/zinc/31/46/79/571314679.db2.gz VQUIKZIRRSKCMH-QHCPKHFHSA-N 0 1 415.493 3.838 40 0 HHABMN COc1ccc(OC)c(S(=O)(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000014224677 962449863 /nfs/dbraw/zinc/44/98/63/962449863.db2.gz CQOBJMHSCBRRKC-UHFFFAOYSA-N 0 1 415.515 3.675 40 0 HHABMN CCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC000408590118 557499548 /nfs/dbraw/zinc/49/95/48/557499548.db2.gz JHPIDRQMFHZXSH-UHFFFAOYSA-N 0 1 403.504 3.904 40 0 HHABMN COc1ccc(CN(Cc2[nH]nnc2-c2ccccc2)C[C@H]2CCCO2)c(OC)c1 ZINC000012116781 558328883 /nfs/dbraw/zinc/32/88/83/558328883.db2.gz AGLYFQSBRMZGIB-HXUWFJFHSA-N 0 1 408.502 3.670 40 0 HHABMN Cc1cc(C[C@@H]2COC[C@H]2NCc2nc3ccccc3n2Cc2ccccc2)on1 ZINC000012128434 558331898 /nfs/dbraw/zinc/33/18/98/558331898.db2.gz ARDWOVYMFJCAMS-DENIHFKCSA-N 0 1 402.498 3.728 40 0 HHABMN COc1cc(OC)c(OC)cc1CN1CCC(c2noc(-c3ccncc3)n2)CC1 ZINC000012327618 558383555 /nfs/dbraw/zinc/38/35/55/558383555.db2.gz ZAYIOQPOOBZZBD-UHFFFAOYSA-N 0 1 410.474 3.537 40 0 HHABMN Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(Cc3cccnc3)C2)on1 ZINC000019122235 558843563 /nfs/dbraw/zinc/84/35/63/558843563.db2.gz VAWHDFKYAKGKSH-LJQANCHMSA-N 0 1 404.518 3.815 40 0 HHABMN Cc1cc2c(cc1C)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(F)c(F)c3)CC1)O2 ZINC000019125147 558844379 /nfs/dbraw/zinc/84/43/79/558844379.db2.gz UFTZCYGIYZTSLM-NHCUHLMSSA-N 0 1 403.469 3.966 40 0 HHABMN CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCCN(CCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219467 558851341 /nfs/dbraw/zinc/85/13/41/558851341.db2.gz PTTRLEAFMGIMJA-VWLOTQADSA-N 0 1 424.516 3.983 40 0 HHABMN Fc1cccc(Nc2nc(-c3ccncc3)nc3c2CN(C[C@H]2CCOC2)CC3)c1 ZINC000019294022 558865716 /nfs/dbraw/zinc/86/57/16/558865716.db2.gz GEXGWXZQMAYABJ-MRXNPFEDSA-N 0 1 405.477 3.816 40 0 HHABMN CC1CCN(CC(=O)N2C[C@H](c3csnn3)[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000019496876 558895684 /nfs/dbraw/zinc/89/56/84/558895684.db2.gz XHRIPASMODNCNF-MSOLQXFVSA-N 0 1 404.967 3.633 40 0 HHABMN CCC[C@H](C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1)n1nc(C)cc1C ZINC000019501801 558899920 /nfs/dbraw/zinc/89/99/20/558899920.db2.gz BDXGKYKPAPPDLQ-IFMALSPDSA-N 0 1 407.518 3.747 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O ZINC000019502995 558900409 /nfs/dbraw/zinc/90/04/09/558900409.db2.gz DEVIOYOLUPGPQB-JOCHJYFZSA-N 0 1 416.525 3.630 40 0 HHABMN CCCSc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019525210 558906583 /nfs/dbraw/zinc/90/65/83/558906583.db2.gz WCGFWQJEJMEXRF-QGZVFWFLSA-N 0 1 422.558 3.504 40 0 HHABMN CCOc1ncc(C2(O)CCN(Cc3oc4ccccc4c3C)CC2)c(OCC)n1 ZINC000019531707 558912247 /nfs/dbraw/zinc/91/22/47/558912247.db2.gz HURINNXFWOEJDU-UHFFFAOYSA-N 0 1 411.502 3.812 40 0 HHABMN COc1cc(CN2CCC(c3nnc(-c4ccncc4)o3)CC2)cc(OC)c1OC ZINC000019549715 558914428 /nfs/dbraw/zinc/91/44/28/558914428.db2.gz PJVMNEFBHXIKQH-UHFFFAOYSA-N 0 1 410.474 3.537 40 0 HHABMN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 ZINC000019568944 558928090 /nfs/dbraw/zinc/92/80/90/558928090.db2.gz KMKKTGZJLXUWPQ-CQSZACIVSA-N 0 1 420.439 3.786 40 0 HHABMN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019579228 558934682 /nfs/dbraw/zinc/93/46/82/558934682.db2.gz QUZLGLOADTUESN-RUZDIDTESA-N 0 1 416.525 3.630 40 0 HHABMN CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccn3)CC2)o1 ZINC000072344947 558941301 /nfs/dbraw/zinc/94/13/01/558941301.db2.gz QMEJLAGMOXKCFT-HXUWFJFHSA-N 0 1 411.550 3.944 40 0 HHABMN COCCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1 ZINC000019593720 558944820 /nfs/dbraw/zinc/94/48/20/558944820.db2.gz BSHRAHJMSWBMBK-QFIPXVFZSA-N 0 1 420.513 3.584 40 0 HHABMN CN(C)C(=O)CN1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072349536 558946297 /nfs/dbraw/zinc/94/62/97/558946297.db2.gz TYUBFNYTJKNRGL-UHFFFAOYSA-N 0 1 405.464 3.959 40 0 HHABMN Cc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)N(C)C)cc1N1CCOCC1 ZINC000019664085 558954664 /nfs/dbraw/zinc/95/46/64/558954664.db2.gz XQZLCKAEKQOQGW-OAQYLSRUSA-N 0 1 401.938 3.518 40 0 HHABMN O=C(COc1ccccc1)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371272 558957898 /nfs/dbraw/zinc/95/78/98/558957898.db2.gz DLMXISBBNGONJD-QGZVFWFLSA-N 0 1 409.461 3.565 40 0 HHABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](c4ccc(-c5cnn(C)c5)cn4)C3)c2c1 ZINC000019689239 558958552 /nfs/dbraw/zinc/95/85/52/558958552.db2.gz GPNAISFSPOMOFB-QGZVFWFLSA-N 0 1 400.486 3.687 40 0 HHABMN O=S(=O)(Cc1ccccc1)N1CCC[C@@]2(CCCN2Cc2ccccc2F)C1 ZINC000096214619 559101726 /nfs/dbraw/zinc/10/17/26/559101726.db2.gz WZDXZVNGDAHXAB-QFIPXVFZSA-N 0 1 402.535 3.786 40 0 HHABMN COc1ccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000096625815 559111683 /nfs/dbraw/zinc/11/16/83/559111683.db2.gz ALHWPMRJTWUKIJ-UHFFFAOYSA-N 0 1 402.922 3.756 40 0 HHABMN CC(=O)N[C@H](c1c(=O)n(-c2ccccc2)[nH]c1C(C)(C)C)C(Cl)(Cl)Cl ZINC000100989698 559142496 /nfs/dbraw/zinc/14/24/96/559142496.db2.gz NBOQKBNWTMRJQQ-TZMCWYRMSA-N 0 1 404.725 3.926 40 0 HHABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000136617311 559277653 /nfs/dbraw/zinc/27/76/53/559277653.db2.gz VGAJYRKEVKPHAO-FDFHNCONSA-N 0 1 400.434 3.746 40 0 HHABMN COc1ccc2[nH]c(C[C@H]3C[N@@H+](Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289599 560032315 /nfs/dbraw/zinc/03/23/15/560032315.db2.gz WFADAJGRKZLDFK-IRXDYDNUSA-N 0 1 411.477 3.866 40 0 biogenic,in-vitro HHABMN COc1ccc2nc(C[C@H]3C[N@H+](Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289599 560032316 /nfs/dbraw/zinc/03/23/16/560032316.db2.gz WFADAJGRKZLDFK-IRXDYDNUSA-N 0 1 411.477 3.866 40 0 biogenic,in-vitro HHABMN COc1ccc2nc(C[C@H]3C[N@@H+](Cc4cccc(F)c4)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289599 560032318 /nfs/dbraw/zinc/03/23/18/560032318.db2.gz WFADAJGRKZLDFK-IRXDYDNUSA-N 0 1 411.477 3.866 40 0 biogenic,in-vitro HHABMN COc1ccc(OC)c([C@H]2NC(=S)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)c1 ZINC000005002926 560620419 /nfs/dbraw/zinc/62/04/19/560620419.db2.gz NLXLJWLFTNXLLP-IOHHAYIISA-N 0 1 404.532 3.619 40 0 HHABMN CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000409412064 560721679 /nfs/dbraw/zinc/72/16/79/560721679.db2.gz QQVVOQTUFBCYMP-UHFFFAOYSA-N 0 1 410.923 3.606 40 0 HHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2Cl)c1 ZINC000006707067 560745592 /nfs/dbraw/zinc/74/55/92/560745592.db2.gz NLKYUBPAJWUEJT-UHFFFAOYSA-N 0 1 424.950 3.994 40 0 HHABMN CC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1ccn[nH]1 ZINC000013150703 560803078 /nfs/dbraw/zinc/80/30/78/560803078.db2.gz INYYJQCSOJZXCT-NRFANRHFSA-N 0 1 422.504 3.890 40 0 HHABMN COc1ccc(N2Oc3c(O)n(-c4ccc(F)cc4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000004599040 560898537 /nfs/dbraw/zinc/89/85/37/560898537.db2.gz DMTLHMBJHHIBLA-YPAWHYETSA-N 0 1 418.424 3.885 40 0 HHABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3Br)n2)cc1 ZINC000022034550 568473346 /nfs/dbraw/zinc/47/33/46/568473346.db2.gz OFLMLHFNKNCQDI-UHFFFAOYSA-N 0 1 419.304 3.974 40 0 HHABMN O=S(=O)(Cc1c(F)cccc1Cl)NCc1nc(-c2ccccc2Cl)no1 ZINC000223648882 568554913 /nfs/dbraw/zinc/55/49/13/568554913.db2.gz ZHBNENVPPSXRGT-UHFFFAOYSA-N 0 1 416.261 3.802 40 0 HHABMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(N3CCCC3=O)c(C)c1)CCCC2 ZINC000223848930 568560832 /nfs/dbraw/zinc/56/08/32/568560832.db2.gz XWCXXUXSYZGWJM-UHFFFAOYSA-N 0 1 414.527 3.810 40 0 HHABMN O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000225269416 568627064 /nfs/dbraw/zinc/62/70/64/568627064.db2.gz HZGAFVXIKUCGJY-GOSISDBHSA-N 0 1 400.906 3.508 40 0 HHABMN COCCOc1ccc(C(=O)N2CCC[C@H]2c2nnc(Cc3ccc(F)cc3)[nH]2)cc1 ZINC000257255757 568791902 /nfs/dbraw/zinc/79/19/02/568791902.db2.gz KISIXUDBGIVPNY-FQEVSTJZSA-N 0 1 424.476 3.537 40 0 HHABMN COCCOc1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(Cc3ccc(F)cc3)n2)cc1 ZINC000257255757 568791904 /nfs/dbraw/zinc/79/19/04/568791904.db2.gz KISIXUDBGIVPNY-FQEVSTJZSA-N 0 1 424.476 3.537 40 0 HHABMN NC(=O)c1ccc(-c2cccc([C@@H]3CN(Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257260784 568793145 /nfs/dbraw/zinc/79/31/45/568793145.db2.gz LEIARNKXSXVOGD-VWLOTQADSA-N 0 1 424.504 3.969 40 0 HHABMN Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc([N-]c4nncs4)n3)C2)c2ccccc21 ZINC000257276060 568797409 /nfs/dbraw/zinc/79/74/09/568797409.db2.gz NSEYMWKRQDRJCN-LJQANCHMSA-N 0 1 406.515 3.742 40 0 HHABMN Cn1cc(C[N@H+]2CCO[C@@H](c3cccc([N-]c4nncs4)n3)C2)c2ccccc21 ZINC000257276060 568797412 /nfs/dbraw/zinc/79/74/12/568797412.db2.gz NSEYMWKRQDRJCN-LJQANCHMSA-N 0 1 406.515 3.742 40 0 HHABMN COc1c(C)cccc1CNc1cc(-c2cn[nH]c2[C@H]2CCN(C(C)=O)C2)ccn1 ZINC000257299168 568804294 /nfs/dbraw/zinc/80/42/94/568804294.db2.gz ROZPQWSKHYMGBU-IBGZPJMESA-N 0 1 405.502 3.737 40 0 HHABMN CCn1cc(CN2CCO[C@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)cn1 ZINC000257320975 568810726 /nfs/dbraw/zinc/81/07/26/568810726.db2.gz VZOVKMSVFYKMII-DEOSSOPVSA-N 0 1 423.561 3.945 40 0 HHABMN Cc1cc(C)nc(N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)n1 ZINC000257324018 568811459 /nfs/dbraw/zinc/81/14/59/568811459.db2.gz WMVCWULYNMWEEQ-HXUWFJFHSA-N 0 1 413.909 3.669 40 0 HHABMN CC(C)C[C@]1(O)CCN(C(=O)c2[nH]nc3ccccc32)C[C@@H]1Oc1ccc(F)cc1 ZINC000257326402 568812294 /nfs/dbraw/zinc/81/22/94/568812294.db2.gz WXCGCBMUXWLUNW-NZQKXSOJSA-N 0 1 411.477 3.773 40 0 HHABMN Clc1ccccc1CN1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140398 568902380 /nfs/dbraw/zinc/90/23/80/568902380.db2.gz USGZPIWYKQYZGW-GOSISDBHSA-N 0 1 411.937 3.599 40 0 HHABMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Cl ZINC000006596381 569333699 /nfs/dbraw/zinc/33/36/99/569333699.db2.gz PJWHTYDYICVSOV-KMHUVPDISA-N 0 1 402.834 3.772 40 0 HHABMN COc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 ZINC000026115846 569349894 /nfs/dbraw/zinc/34/98/94/569349894.db2.gz IADHBKFZHGHYOZ-UHFFFAOYSA-N 0 1 420.556 3.844 40 0 HHABMN COc1ccc(N2C(=O)C(=Cc3cn(CC#N)c4ccccc34)C(=O)NC2=S)cc1 ZINC000033655211 569350925 /nfs/dbraw/zinc/35/09/25/569350925.db2.gz BVWOTNRUGUTYDE-LDADJPATSA-N 0 1 416.462 3.845 40 0 HHABMN COc1cccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c1 ZINC000018163683 569385128 /nfs/dbraw/zinc/38/51/28/569385128.db2.gz XIRGTAFIESYEAK-FSSWDIPSSA-N 0 1 418.424 3.885 40 0 HHABMN CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(C2CC2)n1 ZINC000328957886 571306219 /nfs/dbraw/zinc/30/62/19/571306219.db2.gz ALZPWTKRKYEOBX-KRWDZBQOSA-N 0 1 405.340 4.157 40 0 HHABMN Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000008635402 961580884 /nfs/dbraw/zinc/58/08/84/961580884.db2.gz AYGHCTXWNNSNGU-ZCNNSNEGSA-N 0 1 404.514 3.596 40 0 biogenic,in-vitro HHABMN O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@H](c2nc(-c3ccncc3)n[nH]2)C1 ZINC000012144410 132355059 /nfs/dbraw/zinc/35/50/59/132355059.db2.gz IEHDIIULNLRUNF-FQEVSTJZSA-N 0 1 416.529 3.877 40 0 HHABMN O=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000012145720 132355222 /nfs/dbraw/zinc/35/52/22/132355222.db2.gz BGYIGQWMEHSHJS-UHFFFAOYSA-N 0 1 418.545 3.697 40 0 HHABMN CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000001327505 557255617 /nfs/dbraw/zinc/25/56/17/557255617.db2.gz CUDVADYVXKISNL-UHFFFAOYSA-N 0 1 417.918 3.987 40 0 HHABMN Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3cccc4ccccc43)cn2)cc1 ZINC000408533904 557319045 /nfs/dbraw/zinc/31/90/45/557319045.db2.gz SXEOGPACKPTRSJ-UHFFFAOYSA-N 0 1 418.478 3.991 40 0 HHABMN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000408589239 557497337 /nfs/dbraw/zinc/49/73/37/557497337.db2.gz FBKWKYCSUDTWBS-UHFFFAOYSA-N 0 1 414.867 3.726 40 0 HHABMN COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000408605702 557517934 /nfs/dbraw/zinc/51/79/34/557517934.db2.gz JWQXIQVAPOXVHH-CQSZACIVSA-N 0 1 410.923 3.522 40 0 HHABMN COc1ccc(C(=O)N2CC[C@@H](N3CCc4ccccc4C3)C2)cc1Br ZINC000408603191 557523669 /nfs/dbraw/zinc/52/36/69/557523669.db2.gz BHXRKIJXXLVJIK-GOSISDBHSA-N 0 1 415.331 3.731 40 0 HHABMN COC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 ZINC000408608631 557531909 /nfs/dbraw/zinc/53/19/09/557531909.db2.gz OIOSRHWDIKRTQW-CYBMUJFWSA-N 0 1 410.923 3.522 40 0 HHABMN CSc1ccccc1C(=O)N1CC[NH+]([C@H](CCC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000408613690 557533487 /nfs/dbraw/zinc/53/34/87/557533487.db2.gz ZJJVZSWHWICXGT-LJQANCHMSA-N 0 1 416.518 3.912 40 0 HHABMN COc1ccccc1-c1nc2c3ccccc3nc(SCC(O)=CC(C)=O)n2n1 ZINC000009937958 557852001 /nfs/dbraw/zinc/85/20/01/557852001.db2.gz OEWSZQJIFWSSHV-UHFFFAOYSA-N 0 1 406.467 3.593 40 0 HHABMN COc1ccc(-c2nc3c4ccccc4nc(SCC(O)=CC(C)=O)n3n2)cc1 ZINC000009937955 557852010 /nfs/dbraw/zinc/85/20/10/557852010.db2.gz DMPFHMPSRZKSDT-UHFFFAOYSA-N 0 1 406.467 3.593 40 0 HHABMN Nc1[nH]nc2nc([C@@H]3CCCCN3C(=O)Cc3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000019743419 558263994 /nfs/dbraw/zinc/26/39/94/558263994.db2.gz VTHXGYFJJDAEGZ-HNNXBMFYSA-N 0 1 421.398 3.994 40 0 HHABMN O=C(CN1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1)N1CCCCC1 ZINC000019744108 558264720 /nfs/dbraw/zinc/26/47/20/558264720.db2.gz WQPMAHGPKDNSJI-QHCPKHFHSA-N 0 1 411.590 3.540 40 0 HHABMN Cc1nc(C2CCN(Cc3cccnc3)CC2)nc2c1CCCN2Cc1ccccn1 ZINC000019752958 558272233 /nfs/dbraw/zinc/27/22/33/558272233.db2.gz RQRDJKAXVLFBPJ-UHFFFAOYSA-N 0 1 414.557 3.907 40 0 HHABMN Cc1ccc2nc([C@@H]3CCCCN3C(=O)[C@H](C)c3n[nH]c(=O)c4ccccc43)[nH]c2c1 ZINC000012116171 558328328 /nfs/dbraw/zinc/32/83/28/558328328.db2.gz AUPRNVRNDRQAKD-QRWLVFNGSA-N 0 1 415.497 3.965 40 0 HHABMN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000022534465 558497703 /nfs/dbraw/zinc/49/77/03/558497703.db2.gz DZUREINCXIYDTC-UHFFFAOYSA-N 0 1 411.483 3.924 40 0 HHABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000026527243 558662249 /nfs/dbraw/zinc/66/22/49/558662249.db2.gz MADZBKXQHHJTJJ-UHFFFAOYSA-N 0 1 404.669 3.690 40 0 HHABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Br)c2)c1 ZINC000026527259 558662329 /nfs/dbraw/zinc/66/23/29/558662329.db2.gz IKJBMFCIIBBCRB-UHFFFAOYSA-N 0 1 404.669 3.690 40 0 HHABMN CC(C)(C)CC(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 ZINC000019082727 558840252 /nfs/dbraw/zinc/84/02/52/558840252.db2.gz NEVUKNSHTFPPAL-UHFFFAOYSA-N 0 1 400.563 3.857 40 0 HHABMN Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)c4ccn[nH]4)C3)c2)cc1 ZINC000019212580 558848858 /nfs/dbraw/zinc/84/88/58/558848858.db2.gz YDSYLANPOVBBDR-RUZDIDTESA-N 0 1 416.525 3.548 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000019214189 558849703 /nfs/dbraw/zinc/84/97/03/558849703.db2.gz KJZNWLQBONPHRN-GAJHUEQPSA-N 0 1 405.498 3.977 40 0 HHABMN Cn1nc(-c2ccc(F)cc2)cc1CN1CCC(NC(=O)Cc2ccc(F)cc2)CC1 ZINC000019288911 558861722 /nfs/dbraw/zinc/86/17/22/558861722.db2.gz PACFCEOQHCZRNX-UHFFFAOYSA-N 0 1 424.495 3.689 40 0 HHABMN O=C(N[C@H](c1ccccn1)C1CCN(Cc2cccnc2)CC1)c1cccc(F)c1 ZINC000019400879 558883455 /nfs/dbraw/zinc/88/34/55/558883455.db2.gz KDXXSFRLZDHSPN-QHCPKHFHSA-N 0 1 404.489 3.999 40 0 HHABMN CCn1cc(CN2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)c(C)n1 ZINC000019524607 558905637 /nfs/dbraw/zinc/90/56/37/558905637.db2.gz WIOJPTFJCQYMRX-RBBKRZOGSA-N 0 1 402.489 3.518 40 0 HHABMN CCCc1cc(C(=O)N2CCC(c3[nH]ncc3C(=O)N(C)c3ccccc3)CC2)no1 ZINC000019525285 558906774 /nfs/dbraw/zinc/90/67/74/558906774.db2.gz OZFQZLIXWVIQOC-UHFFFAOYSA-N 0 1 421.501 3.647 40 0 HHABMN CCN1CCN(Cc2cccnc2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527451 558908814 /nfs/dbraw/zinc/90/88/14/558908814.db2.gz NCAMEOAJQGRLBC-DEOSSOPVSA-N 0 1 400.526 3.667 40 0 HHABMN CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000019528595 558909932 /nfs/dbraw/zinc/90/99/32/558909932.db2.gz BTVVVKKXYJVNFY-VWLOTQADSA-N 0 1 416.525 3.678 40 0 HHABMN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000019553976 558916966 /nfs/dbraw/zinc/91/69/66/558916966.db2.gz JAKOLGSQPJGUKP-DNQXCXABSA-N 0 1 416.525 3.730 40 0 HHABMN Cc1c(S(=O)(=O)Nc2ccc(N3CCCCC3)c(C(F)(F)F)c2)cnn1C ZINC000019553996 558917004 /nfs/dbraw/zinc/91/70/04/558917004.db2.gz DKXOEHAARQUQMI-UHFFFAOYSA-N 0 1 402.442 3.538 40 0 HHABMN COc1ccc(C[NH2+][C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)cc1 ZINC000019555872 558918406 /nfs/dbraw/zinc/91/84/06/558918406.db2.gz AEQLYBIZUCOBDD-QHCPKHFHSA-N 0 1 412.493 3.914 40 0 HHABMN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)cc1 ZINC000072337785 558938099 /nfs/dbraw/zinc/93/80/99/558938099.db2.gz NEVQXBZFGBLFPC-NQIIRXRSSA-N 0 1 422.554 3.930 40 0 HHABMN Cc1nc2cc(NC(=O)CN3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C ZINC000019658017 558949839 /nfs/dbraw/zinc/94/98/39/558949839.db2.gz KGGILXOIUZSRCA-QGZVFWFLSA-N 0 1 416.529 3.651 40 0 HHABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cnn(C)c4)C3)n[nH]2)cc1 ZINC000072371638 558958700 /nfs/dbraw/zinc/95/87/00/558958700.db2.gz GYXBFROWVNNPSU-SFHVURJKSA-N 0 1 407.518 3.518 40 0 HHABMN COCCc1ncc(CN2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cn1 ZINC000072376097 558965065 /nfs/dbraw/zinc/96/50/65/558965065.db2.gz VHFBKYBVJRECQE-HXUWFJFHSA-N 0 1 418.545 3.887 40 0 HHABMN O=C(COc1ccccc1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000019703620 558967546 /nfs/dbraw/zinc/96/75/46/558967546.db2.gz OGJMYNRTYKJUEA-QFIPXVFZSA-N 0 1 409.461 3.913 40 0 HHABMN COc1cccc(OCCc2cc([C@H]3CCN(C(=O)Cc4ccccc4)C3)n[nH]2)c1 ZINC000072380105 558968363 /nfs/dbraw/zinc/96/83/63/558968363.db2.gz JGJMXYSKRJTTIF-IBGZPJMESA-N 0 1 405.498 3.598 40 0 HHABMN COc1cccc(CC[C@@H]2CCCCN2C(=O)c2cc(-c3cn(C)nc3C)[nH]n2)c1 ZINC000019713973 558973665 /nfs/dbraw/zinc/97/36/65/558973665.db2.gz AOAPNJKMLMQMHE-SFHVURJKSA-N 0 1 407.518 3.755 40 0 HHABMN CCCN1CCN(C(=O)c2cnc[nH]2)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183615 559070477 /nfs/dbraw/zinc/07/04/77/559070477.db2.gz NXIUWTFGGYLRTA-JOCHJYFZSA-N 0 1 416.525 3.630 40 0 HHABMN O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCC[N@H+]4C4CCCCC4)[n-]n3c(=O)c2C1 ZINC000100243212 559133282 /nfs/dbraw/zinc/13/32/82/559133282.db2.gz SCUZVHJPRGBXQZ-OAQYLSRUSA-N 0 1 423.561 3.589 40 0 HHABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000101104969 559143389 /nfs/dbraw/zinc/14/33/89/559143389.db2.gz VGAJYRKEVKPHAO-BHIFYINESA-N 0 1 400.434 3.746 40 0 HHABMN O=C(COc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000000790919 559279522 /nfs/dbraw/zinc/27/95/22/559279522.db2.gz IFQPXOWLUOOEEH-UHFFFAOYSA-N 0 1 417.874 3.553 40 0 HHABMN COC1(COc2ccc(C)cc2C)CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000257282372 559285299 /nfs/dbraw/zinc/28/52/99/559285299.db2.gz OTNBOPSJNVPQOP-UHFFFAOYSA-N 0 1 414.521 3.619 40 0 HHABMN CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000409408130 560722579 /nfs/dbraw/zinc/72/25/79/560722579.db2.gz ITLOPVCJNMQLHQ-UHFFFAOYSA-N 0 1 424.950 3.914 40 0 HHABMN COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102734382 560731665 /nfs/dbraw/zinc/73/16/65/560731665.db2.gz ODAQEXPEXRLXOF-BHIFYINESA-N 0 1 400.434 3.746 40 0 HHABMN COc1cc(CN(Cc2ccc(OC)c(OC)c2)C[C@@H]2CCCO2)cc2c1OCO2 ZINC000013994238 560831758 /nfs/dbraw/zinc/83/17/58/560831758.db2.gz ONUJRQYWLJMLET-SFHVURJKSA-N 0 1 415.486 3.622 40 0 HHABMN COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000006576876 568455944 /nfs/dbraw/zinc/45/59/44/568455944.db2.gz ODAQEXPEXRLXOF-FKBYEOEOSA-N 0 1 400.434 3.746 40 0 HHABMN COc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)c(OC)c1 ZINC000223320392 568545115 /nfs/dbraw/zinc/54/51/15/568545115.db2.gz HZCFHDYTCSYOEH-UHFFFAOYSA-N 0 1 424.544 3.821 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c(Cl)c1Cl ZINC000223639213 568554467 /nfs/dbraw/zinc/55/44/67/568554467.db2.gz DQHVMEHCDTZEPX-UHFFFAOYSA-N 0 1 415.298 3.930 40 0 HHABMN COc1c(C)cccc1C(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N2CCCCCC2)C1 ZINC000257286720 568800487 /nfs/dbraw/zinc/80/04/87/568800487.db2.gz PMTACAVGGKGMEN-SFHVURJKSA-N 0 1 424.545 3.763 40 0 HHABMN CN(C(=O)CN1CCC(c2cccc(Nc3cnccn3)n2)CC1)C1CCCCC1 ZINC000257302039 568805039 /nfs/dbraw/zinc/80/50/39/568805039.db2.gz SBEDNUXVQSBOKD-UHFFFAOYSA-N 0 1 408.550 3.586 40 0 HHABMN Clc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)c1 ZINC000306129931 568892331 /nfs/dbraw/zinc/89/23/31/568892331.db2.gz IRCYABBMVSIKGV-GOSISDBHSA-N 0 1 411.937 3.599 40 0 HHABMN CCOc1ccsc1C(=O)N1CCC2(C[C@H](CN3CCC(F)(F)CC3)O2)CC1 ZINC000306130693 568893141 /nfs/dbraw/zinc/89/31/41/568893141.db2.gz JNCDJMXQEXSWLN-OAHLLOKOSA-N 0 1 414.518 3.642 40 0 HHABMN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4cccc(F)c4)C[C@H]32)cc1 ZINC000306134831 568896736 /nfs/dbraw/zinc/89/67/36/568896736.db2.gz NZFNHQRYYVTVMS-XZOQPEGZSA-N 0 1 405.473 3.717 40 0 HHABMN COc1ccc(CN2C[C@@H]3[C@H](C2)N(Cc2ccc(OC)cc2)C(=O)c2cccn23)cc1 ZINC000306135214 568897126 /nfs/dbraw/zinc/89/71/26/568897126.db2.gz OLCAVNMLPFVOLQ-RPWUZVMVSA-N 0 1 417.509 3.587 40 0 HHABMN O=C(c1ccsc1)N1C[C@]2(CCN(Cc3ccc4c(c3)OCO4)C2)c2ncccc21 ZINC000306141764 568903314 /nfs/dbraw/zinc/90/33/14/568903314.db2.gz WFRFINUVBPHIHR-HSZRJFAPSA-N 0 1 419.506 3.676 40 0 HHABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccccc3Cl)n2)c1 ZINC000006169980 569329737 /nfs/dbraw/zinc/32/97/37/569329737.db2.gz ABTJIYHZMXZYGY-UHFFFAOYSA-N 0 1 404.879 3.873 40 0 HHABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000007605356 569337983 /nfs/dbraw/zinc/33/79/83/569337983.db2.gz RQDKDZRXTADLRK-UHFFFAOYSA-N 0 1 401.879 3.814 40 0 HHABMN COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2OC)n[nH]1 ZINC000010475518 569344449 /nfs/dbraw/zinc/34/44/49/569344449.db2.gz ROJCPTSJFGDJFT-UHFFFAOYSA-N 0 1 404.879 3.873 40 0 HHABMN COCCN1CC=CCC2(CCN(Cc3nc4ccccc4n3C(C)C)CC2)C1=O ZINC000019744774 569348720 /nfs/dbraw/zinc/34/87/20/569348720.db2.gz JCYJYOWGJOGKLS-UHFFFAOYSA-N 0 1 410.562 3.634 40 0 HHABMN COCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 ZINC000033730618 569351152 /nfs/dbraw/zinc/35/11/52/569351152.db2.gz XUTBWTNCVXPWCA-UHFFFAOYSA-N 0 1 410.923 3.524 40 0 HHABMN COc1cccc(-c2cccc(CC3(C(=O)NCCc4cnc[nH]4)CCOCC3)c2)c1 ZINC000257264488 569397909 /nfs/dbraw/zinc/39/79/09/569397909.db2.gz LUOYWWIUVOGEET-UHFFFAOYSA-N 0 1 419.525 3.784 40 0 HHABMN CC(C)NC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000008635879 291248424 /nfs/dbraw/zinc/24/84/24/291248424.db2.gz RLPUFHVINSHECO-UHOSZYNNSA-N 0 1 400.498 3.539 40 0 biogenic,in-vitro HHABMN Cc1nc(-c2ccc(F)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3COC(=O)NC(C)C)n1 ZINC000008622900 291257554 /nfs/dbraw/zinc/25/75/54/291257554.db2.gz YHDPFZJFCYHTBP-SXLOBPIMSA-N 0 1 412.509 3.904 40 0 biogenic,in-vitro HHABMN COC(=O)CCCCN[C@H]1c2ccccc2N(C)S(=O)(=O)c2cc(Cl)ccc21 ZINC000044136635 523005908 /nfs/dbraw/zinc/00/59/08/523005908.db2.gz LMFWHCAIQATTKM-FQEVSTJZSA-N 0 1 422.934 3.501 40 0 in-vitro HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2ccc3c(c2)ncn3C2CC2)cc1 ZINC000019663097 525282350 /nfs/dbraw/zinc/28/23/50/525282350.db2.gz NMEXUBDTYBPWHN-HSZRJFAPSA-N 0 1 413.481 3.891 40 0 HHABMN CCCCNC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2N(C)C1 ZINC000005179327 557638970 /nfs/dbraw/zinc/63/89/70/557638970.db2.gz LTNOUVDGXDBIHL-MRRJBJDNSA-N 0 1 404.352 3.807 40 0 HHABMN Cc1nc(CC(=O)N2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)cs1 ZINC000019743435 558264030 /nfs/dbraw/zinc/26/40/30/558264030.db2.gz YQRWHBFTORHULO-CYBMUJFWSA-N 0 1 424.452 3.620 40 0 HHABMN Cc1nc([C@H]2CCCN(Cc3ccncc3)C2)nc2c1CCCN2Cc1ccccn1 ZINC000019752936 558272301 /nfs/dbraw/zinc/27/23/01/558272301.db2.gz GTFOFVZTLGHMQL-NRFANRHFSA-N 0 1 414.557 3.907 40 0 HHABMN COc1cccc(-c2n[nH]cc2CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c1 ZINC000012143843 558335690 /nfs/dbraw/zinc/33/56/90/558335690.db2.gz WHZMKGUSHZABLP-UHFFFAOYSA-N 0 1 422.504 3.852 40 0 HHABMN CCc1ccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000026780762 558665173 /nfs/dbraw/zinc/66/51/73/558665173.db2.gz NIBXAEFJEFMKAX-HXUWFJFHSA-N 0 1 408.464 3.830 40 0 HHABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCCC4)[n-]c(=O)c3C2)CC1 ZINC000019495981 558894773 /nfs/dbraw/zinc/89/47/73/558894773.db2.gz LAELFFWKGYWQAK-QYGXFBIXSA-N 0 1 412.578 3.973 40 0 HHABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCCC4)[n-]c(=O)c3C2)CC1 ZINC000019495981 558894776 /nfs/dbraw/zinc/89/47/76/558894776.db2.gz LAELFFWKGYWQAK-QYGXFBIXSA-N 0 1 412.578 3.973 40 0 HHABMN CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019499871 558898160 /nfs/dbraw/zinc/89/81/60/558898160.db2.gz IISGUXOPNHOGQP-UGZUTAHUSA-N 0 1 400.567 3.829 40 0 HHABMN CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019499871 558898165 /nfs/dbraw/zinc/89/81/65/558898165.db2.gz IISGUXOPNHOGQP-UGZUTAHUSA-N 0 1 400.567 3.829 40 0 HHABMN CC(=O)Nc1ccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)c4ccn[nH]4)C3)c2)cc1 ZINC000019570233 558929273 /nfs/dbraw/zinc/92/92/73/558929273.db2.gz VKRJNNJAVUETFL-QGZVFWFLSA-N 0 1 419.485 3.884 40 0 HHABMN Cc1nn(Cc2ccccc2)c(C)c1CC(=O)NCCc1nc2ccc(Cl)cc2[nH]1 ZINC000019578307 558933954 /nfs/dbraw/zinc/93/39/54/558933954.db2.gz NXLJCPBEZADKGB-UHFFFAOYSA-N 0 1 421.932 3.979 40 0 HHABMN CNc1cc(C2CCN(Cc3ccc(OC)cc3F)CC2)nc(-c2cnccn2)n1 ZINC000019592353 558943226 /nfs/dbraw/zinc/94/32/26/558943226.db2.gz LLPPCDRDCOMQTD-UHFFFAOYSA-N 0 1 408.481 3.503 40 0 HHABMN COc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccccn3)CC2)nc1N ZINC000072346297 558943282 /nfs/dbraw/zinc/94/32/82/558943282.db2.gz SFVUYTRZSWPQIQ-UHFFFAOYSA-N 0 1 417.513 3.699 40 0 HHABMN CCc1nc2ccccc2n1CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(OC)cc1 ZINC000019654650 558948000 /nfs/dbraw/zinc/94/80/00/558948000.db2.gz RECGJLXVDDICBV-XMMPIXPASA-N 0 1 415.497 3.505 40 0 HHABMN CN(C)[C@@H](CNC(=O)C1(c2cccc(F)c2)CCOCC1)c1cccc(Cl)c1 ZINC000019654995 558948392 /nfs/dbraw/zinc/94/83/92/558948392.db2.gz WUZPYOUNDZNMAG-FQEVSTJZSA-N 0 1 404.913 3.946 40 0 HHABMN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)n[nH]2)cc1 ZINC000072371368 558958019 /nfs/dbraw/zinc/95/80/19/558958019.db2.gz LHWFMPWUAVAOIP-SFHVURJKSA-N 0 1 423.488 3.738 40 0 HHABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H](c4ccc(-c5ccc(N)nc5)cn4)C3)c2c1 ZINC000019689237 558958630 /nfs/dbraw/zinc/95/86/30/558958630.db2.gz LUTRYOVVQQELNZ-SFHVURJKSA-N 0 1 412.497 3.930 40 0 HHABMN FC(F)(F)c1cccc(OCCc2cc([C@H]3CCN(Cc4ncc[nH]4)C3)[nH]n2)c1 ZINC000072371676 558958858 /nfs/dbraw/zinc/95/88/58/558958858.db2.gz UURVOAMNGWIXOS-AWEZNQCLSA-N 0 1 405.424 3.763 40 0 HHABMN CC1CCN(c2ncc(CN3CCC([C@]4(C)CCCCN(C)C4=O)CC3)cn2)CC1 ZINC000072371975 558959317 /nfs/dbraw/zinc/95/93/17/558959317.db2.gz VVNPPMYPIGFOEN-DEOSSOPVSA-N 0 1 413.610 3.574 40 0 HHABMN CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]12 ZINC000072395833 558974744 /nfs/dbraw/zinc/97/47/44/558974744.db2.gz QTDLWBGOUDNPMP-BWKNWUBXSA-N 0 1 414.509 3.626 40 0 HHABMN CCc1cc2c(ncn(CC(=O)Nc3ccc4nc(C(F)(F)F)[nH]c4c3)c2=O)s1 ZINC000019714861 558975209 /nfs/dbraw/zinc/97/52/09/558975209.db2.gz PAUIDECIRFSXDC-UHFFFAOYSA-N 0 1 421.404 3.554 40 0 HHABMN Cc1noc(C)c1CN1C(=O)CC[C@@]12CCCN(Cc1nc3ccccn3c1C)CC2 ZINC000585099832 559024512 /nfs/dbraw/zinc/02/45/12/559024512.db2.gz DHYXWACPCZUWHZ-XMMPIXPASA-N 0 1 421.545 3.795 40 0 HHABMN Cc1ccc(CC(=O)N2CCC[C@]3(CN(C)Cc4c(-c5ccccc5)ncn43)C2)cc1 ZINC000585107267 559027781 /nfs/dbraw/zinc/02/77/81/559027781.db2.gz RZPKXUVAJBLQCA-SANMLTNESA-N 0 1 414.553 3.864 40 0 HHABMN CN1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585106945 559029236 /nfs/dbraw/zinc/02/92/36/559029236.db2.gz LUWQZGIVBJAULU-RUZDIDTESA-N 0 1 418.516 3.695 40 0 HHABMN CCCN1CCN(C(=O)c2cnc[nH]2)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183616 559070447 /nfs/dbraw/zinc/07/04/47/559070447.db2.gz NXIUWTFGGYLRTA-QFIPXVFZSA-N 0 1 416.525 3.630 40 0 HHABMN CN1CCCN(C(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn43)n2)CC1 ZINC000096155406 559099671 /nfs/dbraw/zinc/09/96/71/559099671.db2.gz RGATYOLZSVFJND-UHFFFAOYSA-N 0 1 417.488 3.709 40 0 HHABMN CCC(CC)NC(=O)c1ccc2c(c1)[C@H](c1nc[nH]n1)CN2C(=O)c1ccccc1 ZINC000096267836 559108439 /nfs/dbraw/zinc/10/84/39/559108439.db2.gz PBVMPIPBMFNQGB-LJQANCHMSA-N 0 1 403.486 3.515 40 0 HHABMN Cc1cc(COc2ccc(CN3C[C@H](O)[C@@H](Oc4cccc(Cl)c4)C3)cc2)no1 ZINC000585269192 559115219 /nfs/dbraw/zinc/11/52/19/559115219.db2.gz ZYMCUALUESJGTM-VXKWHMMOSA-N 0 1 414.889 3.840 40 0 HHABMN COC1(COc2cccc(Cl)c2)CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272344 559117989 /nfs/dbraw/zinc/11/79/89/559117989.db2.gz HUDKHXPNRADDDM-UHFFFAOYSA-N 0 1 420.912 3.655 40 0 HHABMN CO[C@@]1(COc2ccccc2F)CCCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000585272316 559118104 /nfs/dbraw/zinc/11/81/04/559118104.db2.gz HQBPUSULHDCPRS-QHCPKHFHSA-N 0 1 418.484 3.531 40 0 HHABMN Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccnc1 ZINC000000806127 559280446 /nfs/dbraw/zinc/28/04/46/559280446.db2.gz UQKJQJUNLVIZBQ-UHFFFAOYSA-N 0 1 422.915 3.677 40 0 HHABMN COc1ccccc1-c1cccc(CC2(C(=O)N[C@H]3CCCN(C)C3)CCOCC2)c1 ZINC000257235468 559284096 /nfs/dbraw/zinc/28/40/96/559284096.db2.gz GXZJPQSYUKUDAT-QFIPXVFZSA-N 0 1 422.569 3.912 40 0 HHABMN COc1ccccc1-c1cccc(C[C@@]2(C(=O)N[C@@H]3CCCN(C)C3)CCCO2)c1 ZINC000257262818 559284877 /nfs/dbraw/zinc/28/48/77/559284877.db2.gz LNBGYRWAOPEASZ-PXDATVDWSA-N 0 1 408.542 3.664 40 0 HHABMN CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nc(C)n1 ZINC000008622896 560209751 /nfs/dbraw/zinc/20/97/51/560209751.db2.gz LHHHBJAEAHNAFH-SXLOBPIMSA-N 0 1 412.509 3.905 40 0 biogenic,in-vitro HHABMN CCOCCN1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCCC3)CC1 ZINC000004980765 560623092 /nfs/dbraw/zinc/62/30/92/560623092.db2.gz PYYCXABSBXBBQD-UHFFFAOYSA-N 0 1 423.536 3.573 40 0 HHABMN C=C1N=C(SCCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990099 560662104 /nfs/dbraw/zinc/66/21/04/560662104.db2.gz MMFKZVSISUIJOX-KRWDZBQOSA-N 0 1 408.520 3.693 40 0 HHABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)c1 ZINC000409408353 560722627 /nfs/dbraw/zinc/72/26/27/560722627.db2.gz CANRHCXOWZXHMS-MRXNPFEDSA-N 0 1 422.934 3.666 40 0 HHABMN COc1cc(CN(Cc2ccc(OC)c(OC)c2)C[C@H]2CCCO2)cc2c1OCO2 ZINC000013994240 560831749 /nfs/dbraw/zinc/83/17/49/560831749.db2.gz ONUJRQYWLJMLET-GOSISDBHSA-N 0 1 415.486 3.622 40 0 HHABMN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)NC2CCCCC2)cc1 ZINC000005164253 568441908 /nfs/dbraw/zinc/44/19/08/568441908.db2.gz ZVKBSENSURYYII-NHTMILBNSA-N 0 1 400.563 3.812 40 0 HHABMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)cc21 ZINC000223345239 568546011 /nfs/dbraw/zinc/54/60/11/568546011.db2.gz NWBYIVKZPVAUCW-UHFFFAOYSA-N 0 1 406.769 3.605 40 0 HHABMN C[C@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000224484298 568582450 /nfs/dbraw/zinc/58/24/50/568582450.db2.gz OYEWOKJMTGCURM-CYBMUJFWSA-N 0 1 424.592 3.557 40 0 HHABMN C[C@@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 ZINC000224484254 568582468 /nfs/dbraw/zinc/58/24/68/568582468.db2.gz OYEWOKJMTGCURM-ZDUSSCGKSA-N 0 1 424.592 3.557 40 0 HHABMN COc1cc(NC(=S)NC2CCN(Cc3ccccn3)CC2)c(OC)cc1Cl ZINC000225232113 568624747 /nfs/dbraw/zinc/62/47/47/568624747.db2.gz JVADECUJAVVYOC-UHFFFAOYSA-N 0 1 420.966 3.703 40 0 HHABMN N[C@@H](c1nnc(-c2ccc(I)cc2)[nH]1)c1ccc(Cl)cc1 ZINC000095533990 568635434 /nfs/dbraw/zinc/63/54/34/568635434.db2.gz RVHPODFYZGDAOV-CYBMUJFWSA-N 0 1 410.646 3.778 40 0 HHABMN CCN(CC)C(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC000257259157 568792703 /nfs/dbraw/zinc/79/27/03/568792703.db2.gz KXCVLTVDGBQGFV-HXUWFJFHSA-N 0 1 424.545 3.513 40 0 HHABMN NC(=O)c1ccc(-c2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257260783 568793030 /nfs/dbraw/zinc/79/30/30/568793030.db2.gz LEIARNKXSXVOGD-RUZDIDTESA-N 0 1 424.504 3.969 40 0 HHABMN C[C@H]1CCC[C@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000257266940 568794734 /nfs/dbraw/zinc/79/47/34/568794734.db2.gz MFFGNRGSLAFLHN-ROUUACIJSA-N 0 1 424.545 3.598 40 0 HHABMN CCn1cc(CN2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306126386 568889115 /nfs/dbraw/zinc/88/91/15/568889115.db2.gz DUISSIXGEJATBU-OAQYLSRUSA-N 0 1 415.545 3.937 40 0 HHABMN CC(C)n1cc(CN2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cn1 ZINC000306129506 568891972 /nfs/dbraw/zinc/89/19/72/568891972.db2.gz IFMHYCHXZFJFJT-OAQYLSRUSA-N 0 1 401.518 3.948 40 0 HHABMN CN1CC[C@H](COCc2cccnc2)CC12CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000306134478 568896539 /nfs/dbraw/zinc/89/65/39/568896539.db2.gz NOYODNDISOLXIU-RRVLBIQBSA-N 0 1 423.601 3.737 40 0 HHABMN CC(C)N1CC2(CCN(Cc3ccsc3)CC2)COc2ccccc2S1(=O)=O ZINC000306139050 568900785 /nfs/dbraw/zinc/90/07/85/568900785.db2.gz SOASXDHVXJUVSA-UHFFFAOYSA-N 0 1 420.600 3.822 40 0 HHABMN COc1ccc(CN2C(=O)c3cccn3[C@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)cc1 ZINC000306142641 568904193 /nfs/dbraw/zinc/90/41/93/568904193.db2.gz XFKHANSNBGKSCT-GOTSBHOMSA-N 0 1 405.473 3.717 40 0 HHABMN COc1ccccc1CN1C[C@H]2[C@H](C1)N(Cc1ccc(F)cc1)C(=O)c1cccn12 ZINC000306144037 568905302 /nfs/dbraw/zinc/90/53/02/568905302.db2.gz YTZGROZNZXNVHI-VXKWHMMOSA-N 0 1 405.473 3.717 40 0 HHABMN CC(C)(C)Nc1nc(NNc2ccc(N[SH](=O)=O)cc2)cc(C(F)(F)F)n1 ZINC000329010739 568972565 /nfs/dbraw/zinc/97/25/65/568972565.db2.gz MAWIAHNQNJRFRV-UHFFFAOYSA-N 0 1 404.418 3.914 40 0 HHABMN COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)nc(C(C)C)n1)CC2 ZINC000329023881 568973332 /nfs/dbraw/zinc/97/33/32/568973332.db2.gz OVUDABGGMAOSOO-SFHVURJKSA-N 0 1 414.550 3.609 40 0 HHABMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OCC ZINC000008477340 569341548 /nfs/dbraw/zinc/34/15/48/569341548.db2.gz JWODEZKBYIJFKY-NTEUORMPSA-N 0 1 406.866 3.542 40 0 HHABMN CC1=NC(=S)N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1C(=O)OC(C)C ZINC000011549674 569344574 /nfs/dbraw/zinc/34/45/74/569344574.db2.gz RGHADFRHKBQGJN-QGZVFWFLSA-N 0 1 401.444 3.599 40 0 HHABMN CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)N2CCCC[C@@H]2C)n1C ZINC000019496312 569345536 /nfs/dbraw/zinc/34/55/36/569345536.db2.gz HBZOVRZEMGDEEB-YTQUADARSA-N 0 1 413.591 3.816 40 0 HHABMN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000028469907 569350350 /nfs/dbraw/zinc/35/03/50/569350350.db2.gz NNXOQVQHCGUJOP-INIZCTEOSA-N 0 1 421.862 3.864 40 0 HHABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3ccccc3c2)CC1 ZINC000033654324 569350918 /nfs/dbraw/zinc/35/09/18/569350918.db2.gz DKORPMRETXFBQM-UHFFFAOYSA-N 0 1 404.539 3.718 40 0 HHABMN COc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1O ZINC000036288211 569351727 /nfs/dbraw/zinc/35/17/27/569351727.db2.gz DPVLDNIFNPYVGN-FBCYGCLPSA-N 0 1 400.269 3.682 40 0 HHABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000109029524 569353797 /nfs/dbraw/zinc/35/37/97/569353797.db2.gz GJIYKTMJRORGPO-UHFFFAOYSA-N 0 1 423.369 3.872 40 0 HHABMN O=C1NC(=O)c2cc(S(=O)(=O)Nc3cccc4ccccc43)cc3cccc1c32 ZINC000039986356 571136553 /nfs/dbraw/zinc/13/65/53/571136553.db2.gz FKXBSJPKISOELP-UHFFFAOYSA-N 0 1 402.431 3.677 40 0 HHABMN CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 ZINC000044840865 526154142 /nfs/dbraw/zinc/15/41/42/526154142.db2.gz JBUOVMQVWXEUHP-UHFFFAOYSA-N 0 1 414.512 3.560 40 0 HHABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408547812 557370438 /nfs/dbraw/zinc/37/04/38/557370438.db2.gz NHOWAQYDBPEDKG-UHFFFAOYSA-N 0 1 403.685 3.726 40 0 HHABMN COc1c(Cl)cc(Cl)cc1CNCCSc1nnnn1-c1ccccc1 ZINC000007540294 557746199 /nfs/dbraw/zinc/74/61/99/557746199.db2.gz WNZCLHJBDLHHJZ-UHFFFAOYSA-N 0 1 410.330 3.860 40 0 HHABMN COc1ccc(NC(=O)c2cnc(C3CCN(Cc4ccccn4)CC3)nc2C)cc1 ZINC000019763780 558277645 /nfs/dbraw/zinc/27/76/45/558277645.db2.gz SGJUSFRKUUUADY-UHFFFAOYSA-N 0 1 417.513 3.821 40 0 HHABMN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000023133886 558537296 /nfs/dbraw/zinc/53/72/96/558537296.db2.gz WPCAHQHSERIFCG-OAHLLOKOSA-N 0 1 418.335 3.607 40 0 HHABMN O=c1nc2[nH]cccc-2c(O)c1[C@H]1c2ccccc2Oc2c3cccnc3[nH]c(=O)c21 ZINC000016524569 558795133 /nfs/dbraw/zinc/79/51/33/558795133.db2.gz WZBXFJVWFYIZNJ-OAHLLOKOSA-N 0 1 410.389 3.563 40 0 HHABMN Cc1cc(-c2cn[nH]c2C2CCN(C(=O)c3cc(C)oc3CN3CCCC3)CC2)on1 ZINC000019121588 558843206 /nfs/dbraw/zinc/84/32/06/558843206.db2.gz DRMWDNLHNORVMG-UHFFFAOYSA-N 0 1 423.517 3.890 40 0 HHABMN Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(Cc3ccccn3)C2)on1 ZINC000019122222 558843591 /nfs/dbraw/zinc/84/35/91/558843591.db2.gz XBJVCRVYOSMYPP-SFHVURJKSA-N 0 1 404.518 3.815 40 0 HHABMN Cc1ccc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)c(=O)[nH]1 ZINC000019131405 558845533 /nfs/dbraw/zinc/84/55/33/558845533.db2.gz KKFLSFYEDHKCLR-UHFFFAOYSA-N 0 1 407.518 3.561 40 0 HHABMN Cc1ccc(CC(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)cc1 ZINC000019209977 558848154 /nfs/dbraw/zinc/84/81/54/558848154.db2.gz DSYQFYWKCQQYDQ-UHFFFAOYSA-N 0 1 420.532 3.858 40 0 HHABMN Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000019236851 558856049 /nfs/dbraw/zinc/85/60/49/558856049.db2.gz AHTVFMABRZJUCG-REWPJTCUSA-N 0 1 403.530 3.507 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@@H](C)n2c(C)nc3ccccc32)cc1 ZINC000019286660 558860531 /nfs/dbraw/zinc/86/05/31/558860531.db2.gz BFUFAXITLCNFKI-CMJOXMDJSA-N 0 1 415.497 3.812 40 0 HHABMN FC(F)(F)c1ccc(-c2noc(CN3CCCC[C@@H]3CCN3CCOCC3)n2)cc1 ZINC000019336962 558870424 /nfs/dbraw/zinc/87/04/24/558870424.db2.gz HVUSYOZBKLKNTM-GOSISDBHSA-N 0 1 424.467 3.832 40 0 HHABMN CCCN1CCN(C(=O)c2ccn[nH]2)C[C@H](Cc2cccc(-c3cccs3)c2)C1=O ZINC000019503086 558900288 /nfs/dbraw/zinc/90/02/88/558900288.db2.gz AVFWRQYOWBQVRS-IBGZPJMESA-N 0 1 422.554 3.692 40 0 HHABMN CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc4cc(OC)ccc4n3)C2)no1 ZINC000019503695 558900858 /nfs/dbraw/zinc/90/08/58/558900858.db2.gz NYORPSPDYAFIJV-QGZVFWFLSA-N 0 1 408.502 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ZINC000019665393 558955702 /nfs/dbraw/zinc/95/57/02/558955702.db2.gz ZRCJERZEAFQYHE-UHFFFAOYSA-N 0 1 400.486 3.665 40 0 HHABMN CCN(CC)C(=O)CN1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 ZINC000019688561 558958104 /nfs/dbraw/zinc/95/81/04/558958104.db2.gz FSBHEUQYLAWZEW-GOSISDBHSA-N 0 1 401.501 3.998 40 0 HHABMN CCn1cc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(OC)c2)cn1 ZINC000019689802 558959183 /nfs/dbraw/zinc/95/91/83/558959183.db2.gz GQASPPLMWUNYNO-NRFANRHFSA-N 0 1 406.534 3.772 40 0 HHABMN Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCN(Cc3cnc(N(C)C)nc3)C2)n1 ZINC000072374777 558962750 /nfs/dbraw/zinc/96/27/50/558962750.db2.gz HNFGVJWSKXISCV-OAQYLSRUSA-N 0 1 405.521 3.965 40 0 HHABMN COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4cnn(C)c4C)CC3)C2=O)c1 ZINC000019698502 558966164 /nfs/dbraw/zinc/96/61/64/558966164.db2.gz JXEBNXYOTQLQHC-DEOSSOPVSA-N 0 1 422.573 3.554 40 0 HHABMN COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4cnn(C)c4C)CC3)C2=O)c1 ZINC000019698503 558966195 /nfs/dbraw/zinc/96/61/95/558966195.db2.gz JXEBNXYOTQLQHC-XMMPIXPASA-N 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559093396 /nfs/dbraw/zinc/09/33/96/559093396.db2.gz IPNQTFUDYADXTG-HXUWFJFHSA-N 0 1 410.562 3.580 40 0 HHABMN O=S(=O)(Cc1ccccc1)N1CCC[C@]2(CCCN2Cc2ccccc2F)C1 ZINC000096214617 559101686 /nfs/dbraw/zinc/10/16/86/559101686.db2.gz WZDXZVNGDAHXAB-JOCHJYFZSA-N 0 1 402.535 3.786 40 0 HHABMN COc1cccc(CN2CCC[C@@]3(CCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)c1 ZINC000096215615 559101867 /nfs/dbraw/zinc/10/18/67/559101867.db2.gz HRZDHQNJUVTHHY-JOCHJYFZSA-N 0 1 418.534 3.511 40 0 HHABMN C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)Nc3ccc(F)cc3)[C@H]1CCCC(=O)N2 ZINC000585261723 559109325 /nfs/dbraw/zinc/10/93/25/559109325.db2.gz BUAIMCSWWCQBFK-DPLHUUCSSA-N 0 1 409.505 3.509 40 0 HHABMN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1N1CCN(Cc2ccc(F)cc2)CC1 ZINC000585289746 559122561 /nfs/dbraw/zinc/12/25/61/559122561.db2.gz NAIYJIGRWRKPEG-YTFSRNRJSA-N 0 1 418.940 3.958 40 0 HHABMN Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)c2)n1 ZINC000585292133 559124643 /nfs/dbraw/zinc/12/46/43/559124643.db2.gz WVWFNWWFSGWKGF-SQUSKLHYSA-N 0 1 416.529 3.990 40 0 HHABMN Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)n1 ZINC000585292903 559126142 /nfs/dbraw/zinc/12/61/42/559126142.db2.gz UGHDEGCHSJFOIG-CSHXORCISA-N 0 1 416.529 3.990 40 0 HHABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4c(cccc4OC)[nH]3)C2)cc1 ZINC000514289053 560033633 /nfs/dbraw/zinc/03/36/33/560033633.db2.gz MXSGRVGLKBRYTN-ROUUACIJSA-N 0 1 423.513 3.736 40 0 biogenic,in-vitro HHABMN CCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(=O)CC ZINC000001324452 560573078 /nfs/dbraw/zinc/57/30/78/560573078.db2.gz ACJBISFLGHNFOX-UHFFFAOYSA-N 0 1 422.503 3.642 40 0 HHABMN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCN(c2ccccc2)CC1 ZINC000004858894 560612577 /nfs/dbraw/zinc/61/25/77/560612577.db2.gz FAAJTHGBRGKIDN-UHFFFAOYSA-N 0 1 420.582 3.825 40 0 HHABMN O=C(CN1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCCCC1)C2)NCc1ccc(F)cc1 ZINC000004908199 560617851 /nfs/dbraw/zinc/61/78/51/560617851.db2.gz UHJHLZCARMDRLI-FRIKZZABSA-N 0 1 415.553 3.524 40 0 HHABMN 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ZINC000006761218 569334437 /nfs/dbraw/zinc/33/44/37/569334437.db2.gz WPTVZRCZVKOWRU-CPNJWEJPSA-N 0 1 402.406 3.660 40 0 HHABMN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)c1OC ZINC000019567741 569345717 /nfs/dbraw/zinc/34/57/17/569345717.db2.gz NYOKLTCMXIMYEY-QFBILLFUSA-N 0 1 415.559 3.640 40 0 HHABMN O=C(CC1CCCC1)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccccn3)n2)C1 ZINC000019704973 569347821 /nfs/dbraw/zinc/34/78/21/569347821.db2.gz SUZLGLXNBCHDDA-KRWDZBQOSA-N 0 1 404.518 3.861 40 0 HHABMN COCCOc1cccc(CN2[C@@H]3CCCC(=O)N[C@H]3C[C@H]2c2ccccc2F)c1 ZINC000019711741 569428936 /nfs/dbraw/zinc/42/89/36/569428936.db2.gz NCZRDAOUVDWMQT-ZRBLBEILSA-N 0 1 412.505 3.835 40 0 HHABMN CCC(CC)c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(C)=O)nc(-c2ccncc2)n1 ZINC000008623015 291249177 /nfs/dbraw/zinc/24/91/77/291249177.db2.gz VIPIBKRBCOLJQG-HBMCJLEFSA-N 0 1 407.562 3.756 40 0 biogenic,in-vitro HHABMN CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(C)=O)nc(-c2ccncc2)n1 ZINC000008623015 291249179 /nfs/dbraw/zinc/24/91/79/291249179.db2.gz VIPIBKRBCOLJQG-HBMCJLEFSA-N 0 1 407.562 3.756 40 0 biogenic,in-vitro HHABMN O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@@H](c2nc(-c3ccncc3)n[nH]2)C1 ZINC000012144409 132355154 /nfs/dbraw/zinc/35/51/54/132355154.db2.gz IEHDIIULNLRUNF-HXUWFJFHSA-N 0 1 416.529 3.877 40 0 HHABMN CC1CCN(c2nc(=O)c(C(=S)Nc3cc(Cl)cc(Cl)c3)c(N)[nH]2)CC1 ZINC000040385560 521046588 /nfs/dbraw/zinc/04/65/88/521046588.db2.gz SXJNJORVBDSWKK-UHFFFAOYSA-N 0 1 412.346 3.683 40 0 HHABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC[C@H]3CCCO3)ccc2Cl)c1C ZINC000408546926 557369825 /nfs/dbraw/zinc/36/98/25/557369825.db2.gz HKDZLIRVBUSBCI-MRXNPFEDSA-N 0 1 422.934 3.666 40 0 HHABMN CCCCNC(=O)[C@H]1C[C@H]2c3cccc4[nH]c(Br)c(c43)C[C@@H]2N(C)C1 ZINC000005179329 557638957 /nfs/dbraw/zinc/63/89/57/557638957.db2.gz LTNOUVDGXDBIHL-JDFRZJQESA-N 0 1 404.352 3.807 40 0 HHABMN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1NC(=O)CC ZINC000408699529 557712027 /nfs/dbraw/zinc/71/20/27/557712027.db2.gz XOYULJNEMTVPBO-UHFFFAOYSA-N 0 1 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ZINC000019291199 558863657 /nfs/dbraw/zinc/86/36/57/558863657.db2.gz AYLOOQHDEWXXKV-QHCPKHFHSA-N 0 1 406.505 3.644 40 0 HHABMN O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3ccc(Cl)cc3)CC2)no1 ZINC000019333851 558869222 /nfs/dbraw/zinc/86/92/22/558869222.db2.gz YJGWZQZAKALTHL-GOSISDBHSA-N 0 1 403.910 3.616 40 0 HHABMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(C2CCN(C(=O)C3CCCC3)CC2)no1 ZINC000019346224 558873392 /nfs/dbraw/zinc/87/33/92/558873392.db2.gz PCOZGSYXIHQWHZ-UHFFFAOYSA-N 0 1 407.474 3.699 40 0 HHABMN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)[C@@H]1CCCO1 ZINC000019400691 558883369 /nfs/dbraw/zinc/88/33/69/558883369.db2.gz FCJWSRJSGDQLJE-PIPMEXSNSA-N 0 1 415.484 3.608 40 0 HHABMN O=C1CC[C@@H](NCc2ccc(Sc3ncccn3)o2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019403962 558884488 /nfs/dbraw/zinc/88/44/88/558884488.db2.gz KYJSCPSUVCDWTC-APWZRJJASA-N 0 1 416.453 3.609 40 0 HHABMN COc1ccccc1CN[C@H](c1cc(=O)n2nc(-c3ccccn3)cc2[nH]1)C(C)C ZINC000019445480 558885566 /nfs/dbraw/zinc/88/55/66/558885566.db2.gz 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/nfs/dbraw/zinc/46/57/18/568465718.db2.gz FCHBTIAJSXGKOA-UHFFFAOYSA-N 0 1 417.874 3.553 40 0 HHABMN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)c1 ZINC000022108517 568475429 /nfs/dbraw/zinc/47/54/29/568475429.db2.gz SPBLXUGODPEYHV-UHFFFAOYSA-N 0 1 423.421 3.538 40 0 HHABMN CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1 ZINC000223330436 568545389 /nfs/dbraw/zinc/54/53/89/568545389.db2.gz AHIAPFLQFXGSJI-UHFFFAOYSA-N 0 1 424.862 3.532 40 0 HHABMN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F)oc(=O)n2C ZINC000223339269 568545716 /nfs/dbraw/zinc/54/57/16/568545716.db2.gz VOVCNXNSIAOVOM-UHFFFAOYSA-N 0 1 420.796 3.913 40 0 HHABMN COC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000224051979 568567811 /nfs/dbraw/zinc/56/78/11/568567811.db2.gz CMKONOSFXNPJHD-UHFFFAOYSA-N 0 1 407.488 3.723 40 0 HHABMN CCOc1ccc(-c2nnc([C@@H](N)c3ccc(OCC)c(OCC)c3)[nH]2)cc1OC ZINC000095534633 568635636 /nfs/dbraw/zinc/63/56/36/568635636.db2.gz SOPQWLBIDDLGIM-FQEVSTJZSA-N 0 1 412.490 3.725 40 0 HHABMN CC[C@@H](Nc1ncnc2[nH]cnc21)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC000095570472 568638586 /nfs/dbraw/zinc/63/85/86/568638586.db2.gz IFSDAJWBUCMOAH-OAHLLOKOSA-N 0 1 415.432 3.754 40 0 in-vitro HHABMN COc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000257276254 568797346 /nfs/dbraw/zinc/79/73/46/568797346.db2.gz NSZUMLTYOQZSJF-CALCHBBNSA-N 0 1 424.545 3.841 40 0 HHABMN CC(C)n1cc(CN2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cn1 ZINC000306126132 568888804 /nfs/dbraw/zinc/88/88/04/568888804.db2.gz DOAAEQCEJFVTAA-NRFANRHFSA-N 0 1 401.518 3.948 40 0 HHABMN CCc1ccc(CN2C[C@@H]3[C@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306137668 568899522 /nfs/dbraw/zinc/89/95/22/568899522.db2.gz RCTCCDNDTHMQGQ-YADHBBJMSA-N 0 1 406.555 3.897 40 0 HHABMN OCCCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)n1 ZINC000328993774 568971735 /nfs/dbraw/zinc/97/17/35/568971735.db2.gz JBPAHJHFRAYRQR-UHFFFAOYSA-N 0 1 408.424 3.610 40 0 HHABMN Cc1cc(N2CCc3ccc(Br)cc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329061756 568975170 /nfs/dbraw/zinc/97/51/70/568975170.db2.gz WTICXIUILXEXIW-QGZVFWFLSA-N 0 1 405.340 3.539 40 0 HHABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(OC)c(Cl)c3)n2)cc1 ZINC000006154496 569329593 /nfs/dbraw/zinc/32/95/93/569329593.db2.gz SQOKKGLTLPGIEX-UHFFFAOYSA-N 0 1 404.879 3.873 40 0 HHABMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000033613190 569350704 /nfs/dbraw/zinc/35/07/04/569350704.db2.gz BBFKZTQVFGRYAH-WOJGMQOQSA-N 0 1 404.426 3.893 40 0 HHABMN C=C1N=C(SC(C)C)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000033785015 569351377 /nfs/dbraw/zinc/35/13/77/569351377.db2.gz ROUUXRFTISVOAO-QGZVFWFLSA-N 0 1 408.520 3.691 40 0 HHABMN CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)cn3)[nH]c2c1 ZINC000045637757 569358214 /nfs/dbraw/zinc/35/82/14/569358214.db2.gz UZQICJFSYIXGGM-UHFFFAOYSA-N 0 1 407.293 3.850 40 0 HHABMN Cc1ccccc1N1Oc2c(O)n(-c3ccc(F)cc3)c(O)c2[C@@H]1c1ccncc1 ZINC000011582395 569398657 /nfs/dbraw/zinc/39/86/57/569398657.db2.gz XJZAFMJCRHXMSW-QHAWAJNXSA-N 0 1 403.413 3.580 40 0 HHABMN O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@H](c2n[nH]c(-c3cccnc3)n2)C1 ZINC000012088522 132353702 /nfs/dbraw/zinc/35/37/02/132353702.db2.gz YIFCWZGHWOJGJI-FQEVSTJZSA-N 0 1 416.529 3.877 40 0 HHABMN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 ZINC000044843399 524775080 /nfs/dbraw/zinc/77/50/80/524775080.db2.gz SHHAVRAYWQXIJB-INIZCTEOSA-N 0 1 411.483 3.597 40 0 HHABMN CCc1cccc([C@@H](C)CC)c1NC(=O)C[C@@H]1C(=O)Nc2ccccc2S1(=O)=O ZINC000001622807 557276919 /nfs/dbraw/zinc/27/69/19/557276919.db2.gz RTYTZKFPQZDHRQ-IFXJQAMLSA-N 0 1 414.527 3.886 40 0 HHABMN CCOc1ccc(C2=NN(CC)C(=O)[C@@H](c3c(C)[nH]n(-c4ccccc4)c3=O)C2)cc1 ZINC000005807718 557675664 /nfs/dbraw/zinc/67/56/64/557675664.db2.gz KDNOVJQOHLZBDA-IRLDBZIGSA-N 0 1 418.497 3.697 40 0 HHABMN Cc1nc(CC2CCN(Cc3ccnn3C)CC2)cc(NCc2ccccc2F)n1 ZINC000019758514 558274980 /nfs/dbraw/zinc/27/49/80/558274980.db2.gz XJDKUCWLNFSBHC-UHFFFAOYSA-N 0 1 408.525 3.724 40 0 HHABMN Cc1nc([C@@H]2CCCN(Cc3ccncc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766358 558278733 /nfs/dbraw/zinc/27/87/33/558278733.db2.gz WRYPSYLBOWIMRR-HXUWFJFHSA-N 0 1 419.504 3.629 40 0 HHABMN COc1cccc(CN2CCN(C(=O)c3ccc(CN4CCCCC4)o3)[C@@H](C)C2)c1 ZINC000012115684 558327848 /nfs/dbraw/zinc/32/78/48/558327848.db2.gz KUWAPSTXWQXHSM-IBGZPJMESA-N 0 1 411.546 3.621 40 0 HHABMN O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2cccc(Cl)c2)CC1 ZINC000012186606 558345758 /nfs/dbraw/zinc/34/57/58/558345758.db2.gz NYPZNLOUDPFTJW-UHFFFAOYSA-N 0 1 415.946 3.652 40 0 HHABMN COc1ccc2c(c1)C=C(CN1CCC(NC(C)=O)(c3ccccc3F)CC1)CO2 ZINC000012219471 558355083 /nfs/dbraw/zinc/35/50/83/558355083.db2.gz CBJPEFBSZSXJHC-UHFFFAOYSA-N 0 1 410.489 3.738 40 0 HHABMN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000030754230 558736728 /nfs/dbraw/zinc/73/67/28/558736728.db2.gz CSZLIWDTVVEYLW-MRXNPFEDSA-N 0 1 411.483 3.597 40 0 HHABMN COCCN1C[C@H](c2ccccc2)OC2(CCN(C(=O)Cc3ccccc3C)CC2)C1 ZINC000019237050 558856299 /nfs/dbraw/zinc/85/62/99/558856299.db2.gz ONNKHJKXPBHYLP-XMMPIXPASA-N 0 1 422.569 3.619 40 0 HHABMN O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CCN(Cc2cccnc2)CC1 ZINC000019370425 558878608 /nfs/dbraw/zinc/87/86/08/558878608.db2.gz JNPGECSVGHDXIH-VWLOTQADSA-N 0 1 400.526 3.789 40 0 HHABMN C[C@@H]1CN(C(=O)c2c[nH]nc2C2CCN(Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000019497341 558896220 /nfs/dbraw/zinc/89/62/20/558896220.db2.gz HMMNKOULHLHRHL-IYBDPMFKSA-N 0 1 416.953 3.692 40 0 HHABMN CCN1CCN(Cc2ccncc2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527405 558908540 /nfs/dbraw/zinc/90/85/40/558908540.db2.gz UHOJVXILSZSOQW-DEOSSOPVSA-N 0 1 400.526 3.667 40 0 HHABMN CCN1CCN(Cc2cccnc2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527719 558908894 /nfs/dbraw/zinc/90/88/94/558908894.db2.gz OEXWWNNEEGQGQR-QHCPKHFHSA-N 0 1 400.526 3.667 40 0 HHABMN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000019553972 558917038 /nfs/dbraw/zinc/91/70/38/558917038.db2.gz JAKOLGSQPJGUKP-BJKOFHAPSA-N 0 1 416.525 3.730 40 0 HHABMN COc1ccc(OC)c(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2onc(C)c2C)c1 ZINC000019557856 558919824 /nfs/dbraw/zinc/91/98/24/558919824.db2.gz LKBYKNLAQBTFCV-LJQANCHMSA-N 0 1 424.501 3.995 40 0 HHABMN Cc1sc2ncn(CC3(O)CCN(Cc4ccc(Cl)cc4)CC3)c(=O)c2c1C ZINC000019561538 558922128 /nfs/dbraw/zinc/92/21/28/558922128.db2.gz ATGSKAXGHAWHDT-UHFFFAOYSA-N 0 1 417.962 3.755 40 0 HHABMN COc1ccnc(CN2CCC[C@H](c3nc(C)ncc3-c3ccncc3)C2)c1OC ZINC000072334719 558935773 /nfs/dbraw/zinc/93/57/73/558935773.db2.gz YWBXXEJLLFHISX-SFHVURJKSA-N 0 1 405.502 3.639 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)cc1 ZINC000019581517 558937202 /nfs/dbraw/zinc/93/72/02/558937202.db2.gz SOYWDOWPVDQDAR-FCHUYYIVSA-N 0 1 424.932 3.849 40 0 HHABMN Cc1cc2nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340819 558939356 /nfs/dbraw/zinc/93/93/56/558939356.db2.gz TYIISKUMQDMEQC-UHFFFAOYSA-N 0 1 420.439 3.923 40 0 HHABMN COCCc1ncc(CN2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cn1 ZINC000072353455 558950368 /nfs/dbraw/zinc/95/03/68/558950368.db2.gz RSKNVTBZDLTRCB-FQEVSTJZSA-N 0 1 418.545 3.887 40 0 HHABMN Cc1nn(C)cc1CN1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698505 558966209 /nfs/dbraw/zinc/96/62/09/558966209.db2.gz WHKIKWLAJKHHLK-HSZRJFAPSA-N 0 1 410.537 3.685 40 0 HHABMN O=C(COc1ccccc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703624 558967662 /nfs/dbraw/zinc/96/76/62/558967662.db2.gz DTQJPPIKVLTSET-NRFANRHFSA-N 0 1 409.461 3.913 40 0 HHABMN COc1cccc(-c2ccc3nc(C4CCN(Cc5cnn(C)c5)CC4)nn3c2)c1 ZINC000096038221 559091885 /nfs/dbraw/zinc/09/18/85/559091885.db2.gz YLLHKUMQVXPHCO-UHFFFAOYSA-N 0 1 402.502 3.518 40 0 HHABMN Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)n1 ZINC000585292905 559126167 /nfs/dbraw/zinc/12/61/67/559126167.db2.gz UGHDEGCHSJFOIG-SGQUHAKNSA-N 0 1 416.529 3.990 40 0 HHABMN Cc1nc2ccccn2c1-c1nnc2sc(CN3CC[C@H](c4ccccc4)C3)nn21 ZINC000227144100 559274246 /nfs/dbraw/zinc/27/42/46/559274246.db2.gz QXKJKGJVBQOFIS-KRWDZBQOSA-N 0 1 415.526 3.798 40 0 HHABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)cc1 ZINC000514289037 560033493 /nfs/dbraw/zinc/03/34/93/560033493.db2.gz MLFTWGVCVKRXDY-IRXDYDNUSA-N 0 1 411.477 3.866 40 0 biogenic,in-vitro HHABMN COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000514289037 560033494 /nfs/dbraw/zinc/03/34/94/560033494.db2.gz MLFTWGVCVKRXDY-IRXDYDNUSA-N 0 1 411.477 3.866 40 0 biogenic,in-vitro HHABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000514289037 560033495 /nfs/dbraw/zinc/03/34/95/560033495.db2.gz MLFTWGVCVKRXDY-IRXDYDNUSA-N 0 1 411.477 3.866 40 0 biogenic,in-vitro HHABMN CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000072320826 560077131 /nfs/dbraw/zinc/07/71/31/560077131.db2.gz ULPAZQCNVCNESL-BZSNNMDCSA-N 0 1 404.518 3.575 40 0 biogenic,in-vitro HHABMN CC1=C[C@@H](CNC(=O)c2cnccn2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000072320826 560077133 /nfs/dbraw/zinc/07/71/33/560077133.db2.gz ULPAZQCNVCNESL-BZSNNMDCSA-N 0 1 404.518 3.575 40 0 biogenic,in-vitro HHABMN O=C(CCCOc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000004341999 560605868 /nfs/dbraw/zinc/60/58/68/560605868.db2.gz SPQWIKYHTAKAOE-UHFFFAOYSA-N 0 1 411.483 3.680 40 0 HHABMN CCc1ccc(N[C@H]2NC(=O)C(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)S2)cc1 ZINC000408785296 560641380 /nfs/dbraw/zinc/64/13/80/560641380.db2.gz YDUXNVGTRICGSH-ZXPLITIVSA-N 0 1 406.511 3.730 40 0 HHABMN CN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000006288065 560741007 /nfs/dbraw/zinc/74/10/07/560741007.db2.gz QRFMNCAGZJOZKU-UHFFFAOYSA-N 0 1 423.369 3.872 40 0 HHABMN COC(=O)c1ccccc1NC(=O)CSc1nc2ccc(Br)cc2[nH]1 ZINC000020765310 568458852 /nfs/dbraw/zinc/45/88/52/568458852.db2.gz RWWLGKACWRSPLP-UHFFFAOYSA-N 0 1 420.288 3.843 40 0 HHABMN CCOC(=O)C1(c2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc2)CC1 ZINC000223007532 568534169 /nfs/dbraw/zinc/53/41/69/568534169.db2.gz WFCUEJXJAAVUKB-UHFFFAOYSA-N 0 1 409.891 3.744 40 0 HHABMN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)c(Cl)c1Cl ZINC000225033853 568610297 /nfs/dbraw/zinc/61/02/97/568610297.db2.gz RFHOCBDOSQYTJV-UHFFFAOYSA-N 0 1 419.311 3.716 40 0 HHABMN FC(F)(F)Oc1cccc(NC(=S)NC2CCN(Cc3ccccn3)CC2)c1 ZINC000225232646 568624883 /nfs/dbraw/zinc/62/48/83/568624883.db2.gz YYTHLMLLDJCDJU-UHFFFAOYSA-N 0 1 410.465 3.931 40 0 HHABMN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000225269443 568626998 /nfs/dbraw/zinc/62/69/98/568626998.db2.gz HZGAFVXIKUCGJY-SFHVURJKSA-N 0 1 400.906 3.508 40 0 HHABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 ZINC000225645619 568659695 /nfs/dbraw/zinc/65/96/95/568659695.db2.gz VEHRFCJTUNUQNH-UHFFFAOYSA-N 0 1 400.909 3.830 40 0 HHABMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(N3CCCC3=O)cc1)CCCC2 ZINC000225760209 568671913 /nfs/dbraw/zinc/67/19/13/568671913.db2.gz LDWQDTCHYJGZPY-UHFFFAOYSA-N 0 1 400.500 3.502 40 0 HHABMN COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c(OC)c1 ZINC000059294153 568703596 /nfs/dbraw/zinc/70/35/96/568703596.db2.gz DQTOTFVELOCLEJ-UHFFFAOYSA-N 0 1 401.271 3.843 40 0 HHABMN COc1cc(C)ccc1CN1CCO[C@H](c2cc(CCOc3ccccc3)[nH]n2)C1 ZINC000257256532 568792121 /nfs/dbraw/zinc/79/21/21/568792121.db2.gz KLWNBJRTUFVZAY-DEOSSOPVSA-N 0 1 407.514 3.922 40 0 HHABMN Cc1nc([C@H]2CCN(Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)NC(C)C ZINC000257267286 568794711 /nfs/dbraw/zinc/79/47/11/568794711.db2.gz MGPZKMXPCHIEOA-SFHVURJKSA-N 0 1 400.954 3.803 40 0 HHABMN Cc1nc2ccc(NC(=O)CN3CCOC[C@H](Cc4cccc5occc54)C3)cc2[nH]1 ZINC000257278023 568797917 /nfs/dbraw/zinc/79/79/17/568797917.db2.gz OALILLQHAJPVGZ-QGZVFWFLSA-N 0 1 418.497 3.747 40 0 HHABMN Cc1ccc2c(CC(=O)N3CC[C@@H](c4[nH]ncc4-c4ccnc(N)c4)C3)coc2c1C ZINC000257290126 568801391 /nfs/dbraw/zinc/80/13/91/568801391.db2.gz QBROHCDHBQJVCN-QGZVFWFLSA-N 0 1 415.497 3.976 40 0 HHABMN CN(C)C(=O)c1sc2nc([C@]3(C)CCCN(Cc4cncs4)C3)ccc2c1N ZINC000257290677 568801601 /nfs/dbraw/zinc/80/16/01/568801601.db2.gz QDXAKIPAHXNMFM-HXUWFJFHSA-N 0 1 415.588 3.591 40 0 HHABMN O=C1O[C@]2(CCN(Cc3cccc(Oc4ncccn4)c3)C2)CN1Cc1ccccc1 ZINC000257322370 568811158 /nfs/dbraw/zinc/81/11/58/568811158.db2.gz WFSGUIWWSPHDRT-DEOSSOPVSA-N 0 1 416.481 3.866 40 0 HHABMN Cc1cccc(Nc2cccc([C@@H]3CN(C(=O)c4cc(C(C)C)[nH]n4)CCO3)n2)n1 ZINC000257332459 568813838 /nfs/dbraw/zinc/81/38/38/568813838.db2.gz XXKIFBLYDYNETA-IBGZPJMESA-N 0 1 406.490 3.589 40 0 HHABMN Cn1cc(CN2CCC3(CC2)Oc2ccccc2-c2ncn(CC4CCC4)c23)cn1 ZINC000306136899 568898782 /nfs/dbraw/zinc/89/87/82/568898782.db2.gz QGFUQGNMWJQJAB-UHFFFAOYSA-N 0 1 403.530 3.967 40 0 HHABMN COc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5cnn(C)c5)C4)nn3c2)c1 ZINC000306142229 568903743 /nfs/dbraw/zinc/90/37/43/568903743.db2.gz WUDCRDMDSMIILJ-HXUWFJFHSA-N 0 1 402.502 3.518 40 0 HHABMN Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000328957909 568969461 /nfs/dbraw/zinc/96/94/61/568969461.db2.gz AMCSZOZFVINVLE-QGZVFWFLSA-N 0 1 410.440 3.675 40 0 HHABMN Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000008317324 569340057 /nfs/dbraw/zinc/34/00/57/569340057.db2.gz GCOHHGWJVCENAU-DEDYPNTBSA-N 0 1 416.433 3.829 40 0 HHABMN CC(C)c1ccc(OCc2cc([C@H]3CCN(Cc4cnc(N(C)C)nc4)C3)n[nH]2)cc1 ZINC000019704498 569347692 /nfs/dbraw/zinc/34/76/92/569347692.db2.gz INXKTKJRFAHERJ-FQEVSTJZSA-N 0 1 420.561 3.958 40 0 HHABMN CN(C)Cc1cnc2ccnn2c1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000019704732 569347804 /nfs/dbraw/zinc/34/78/04/569347804.db2.gz UZIVAOGLPFWIEG-UHFFFAOYSA-N 0 1 411.937 3.539 40 0 HHABMN CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1Br ZINC000107643962 569352830 /nfs/dbraw/zinc/35/28/30/569352830.db2.gz JHQIBMBRLWEGAI-UHFFFAOYSA-N 0 1 418.335 3.852 40 0 HHABMN CC(C)[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(C2CC2)n1 ZINC000328973737 571306235 /nfs/dbraw/zinc/30/62/35/571306235.db2.gz FDICZWBALLZGEO-KRWDZBQOSA-N 0 1 405.340 4.157 40 0 HHABMN COC(=O)c1ccc2c(c1)CCN(c1cc(C(C)C)nc(NCc3ccccc3)n1)C2 ZINC000329071885 571306903 /nfs/dbraw/zinc/30/69/03/571306903.db2.gz ZTFVLVAUZCWTEC-UHFFFAOYSA-N 0 1 416.525 4.561 40 0 HHABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1 ZINC000027930175 965000384 /nfs/dbraw/zinc/00/03/84/965000384.db2.gz AGJQETGYVKUPQH-UHFFFAOYSA-N 0 1 420.288 3.757 40 0 HHABMN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)[C@@H]1CCCN(c3nc(Cl)nc4[nH]cnc43)C1)C2 ZINC000008992768 132334501 /nfs/dbraw/zinc/33/45/01/132334501.db2.gz FIDDQKRUIGHSCP-YPENRWOSSA-N 0 1 416.957 3.650 40 0 HHABMN COc1cc2cc3[nH]cc(S(=O)(=O)Nc4cccc(Cl)c4C)n3c2cc1OC ZINC000032611959 523020060 /nfs/dbraw/zinc/02/00/60/523020060.db2.gz IAFUIXZUMWPUMP-UHFFFAOYSA-N 0 1 419.890 3.556 40 0 HHABMN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000020107056 525467672 /nfs/dbraw/zinc/46/76/72/525467672.db2.gz OZRYNCOYJBBQCT-MRXNPFEDSA-N 0 1 411.483 3.597 40 0 HHABMN Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)Nc3ccc4ccccc4c3)cn2)cc1 ZINC000408532066 557310477 /nfs/dbraw/zinc/31/04/77/557310477.db2.gz NLEYWDUAXHHWQC-UHFFFAOYSA-N 0 1 418.478 3.991 40 0 HHABMN Cc1cccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)c1 ZINC000408543018 557360436 /nfs/dbraw/zinc/36/04/36/557360436.db2.gz MTOWBSHJLTXKLQ-UHFFFAOYSA-N 0 1 419.304 3.979 40 0 HHABMN CCN(CC)CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 ZINC000005794612 557674920 /nfs/dbraw/zinc/67/49/20/557674920.db2.gz YOKDLJRVNSYXLD-UHFFFAOYSA-N 0 1 424.950 3.648 40 0 HHABMN COc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c(OC)cc1Cl ZINC000020107680 558334160 /nfs/dbraw/zinc/33/41/60/558334160.db2.gz QQHPIYOSLUEOQE-UHFFFAOYSA-N 0 1 424.906 3.593 40 0 HHABMN CCCc1cc(C(=O)N2CCC(c3ncc(Cl)cc3C(=O)OCC)CC2)n[nH]1 ZINC000012143421 558335401 /nfs/dbraw/zinc/33/54/01/558335401.db2.gz PWBPDIRGOPOJOC-UHFFFAOYSA-N 0 1 404.898 3.607 40 0 HHABMN Cc1nn(-c2ccccc2C)c(C)c1CN(Cc1ccc2c(c1)OCO2)C[C@@H](C)O ZINC000012185785 558345204 /nfs/dbraw/zinc/34/52/04/558345204.db2.gz XHABJUQWILDQGN-QGZVFWFLSA-N 0 1 407.514 3.909 40 0 HHABMN CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000030852416 558740441 /nfs/dbraw/zinc/74/04/41/558740441.db2.gz OFDYPSQGHFACMV-UHFFFAOYSA-N 0 1 411.483 3.924 40 0 HHABMN CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000030873675 558743833 /nfs/dbraw/zinc/74/38/33/558743833.db2.gz RSOISWQEWQVRKO-UHFFFAOYSA-N 0 1 411.483 3.922 40 0 HHABMN COc1ccccc1N1CCN(C[C@@H](O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000035586281 558793792 /nfs/dbraw/zinc/79/37/92/558793792.db2.gz NCPYNQDHIIBZIX-SEDAZVQISA-N 0 1 404.595 3.656 40 0 HHABMN CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(Cc2cccc(C)c2)CCO1 ZINC000019235045 558854212 /nfs/dbraw/zinc/85/42/12/558854212.db2.gz QCCTZVFHOQVKCB-AREMUKBSSA-N 0 1 415.537 3.617 40 0 HHABMN Cc1cccc(CN2CCN(C)C(=O)[C@@H](Cc3cccc(-c4cccnc4)c3)C2)n1 ZINC000019236288 558855387 /nfs/dbraw/zinc/85/53/87/558855387.db2.gz RJHMSSCWLFLZSO-QHCPKHFHSA-N 0 1 400.526 3.585 40 0 HHABMN O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(Cc3cccc(Cl)c3)CC2)no1 ZINC000019293394 558865162 /nfs/dbraw/zinc/86/51/62/558865162.db2.gz RFYRECRWMTZDPJ-GOSISDBHSA-N 0 1 403.910 3.616 40 0 HHABMN O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019370217 558878426 /nfs/dbraw/zinc/87/84/26/558878426.db2.gz KMBYROMYCPWRFP-JOCHJYFZSA-N 0 1 420.557 3.779 40 0 HHABMN O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CCN(Cc2ccncc2)CC1 ZINC000019370432 558878652 /nfs/dbraw/zinc/87/86/52/558878652.db2.gz VHUKIOAFRUQMCY-RUZDIDTESA-N 0 1 400.526 3.789 40 0 HHABMN CC[C@@H](C)C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 ZINC000019499822 558897739 /nfs/dbraw/zinc/89/77/39/558897739.db2.gz ADSQQGFMIKJEGU-CVEARBPZSA-N 0 1 414.575 3.554 40 0 HHABMN CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](C1CCC(C)CC1)CC2 ZINC000019499870 558898107 /nfs/dbraw/zinc/89/81/07/558898107.db2.gz IISGUXOPNHOGQP-FCULAJGNSA-N 0 1 400.567 3.829 40 0 HHABMN CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](C1CCC(C)CC1)CC2 ZINC000019499870 558898109 /nfs/dbraw/zinc/89/81/09/558898109.db2.gz IISGUXOPNHOGQP-FCULAJGNSA-N 0 1 400.567 3.829 40 0 HHABMN CCN(CC)[C@@H](CNC(=O)c1nn2cccnc2c1Cl)c1ccccc1Cl ZINC000019526292 558907667 /nfs/dbraw/zinc/90/76/67/558907667.db2.gz OYYWXVNXNCURLI-HNNXBMFYSA-N 0 1 406.317 3.849 40 0 HHABMN CCN1CCN(Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527399 558908585 /nfs/dbraw/zinc/90/85/85/558908585.db2.gz BWSUURNNFUUOSR-DEOSSOPVSA-N 0 1 414.553 3.975 40 0 HHABMN COc1cc(CN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc(OC)c1OC ZINC000019549711 558914431 /nfs/dbraw/zinc/91/44/31/558914431.db2.gz VQUWSCAWAKBANY-UHFFFAOYSA-N 0 1 410.474 3.537 40 0 HHABMN COc1ccc([C@@H]2c3[nH]cnc3CCN2C(=O)c2ccnc(N3CCCCC3)c2)cc1 ZINC000019554003 558917052 /nfs/dbraw/zinc/91/70/52/558917052.db2.gz PUWBEJZJVDNSPG-HSZRJFAPSA-N 0 1 417.513 3.592 40 0 HHABMN CC(C)(C)c1nc2c(nnn2C2CCN(Cc3ccccc3Cl)CC2)c(=O)[nH]1 ZINC000072337620 558937802 /nfs/dbraw/zinc/93/78/02/558937802.db2.gz FMJWANILTBHLLB-UHFFFAOYSA-N 0 1 400.914 3.715 40 0 HHABMN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3nccs3)C2)c1 ZINC000072337783 558938091 /nfs/dbraw/zinc/93/80/91/558938091.db2.gz DZBKPGVPPVYZQS-NQIIRXRSSA-N 0 1 422.554 3.930 40 0 HHABMN O=C(c1cc([C@@H]2CN(CC3CCCCC3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000072352688 558949254 /nfs/dbraw/zinc/94/92/54/558949254.db2.gz YMKVSWPKJBKKAS-DEOSSOPVSA-N 0 1 423.557 3.661 40 0 HHABMN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(CC(=O)N4CCC(C)CC4)C3)nc2)n1 ZINC000072353277 558950217 /nfs/dbraw/zinc/95/02/17/558950217.db2.gz GMEGZTCTFXQYND-FQEVSTJZSA-N 0 1 422.577 3.670 40 0 HHABMN O=C(CN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCC1 ZINC000072358561 558954038 /nfs/dbraw/zinc/95/40/38/558954038.db2.gz KCUVEHBODNOMFQ-QGZVFWFLSA-N 0 1 418.463 3.964 40 0 HHABMN O=C(CN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCC1 ZINC000072358562 558954146 /nfs/dbraw/zinc/95/41/46/558954146.db2.gz KCUVEHBODNOMFQ-KRWDZBQOSA-N 0 1 418.463 3.964 40 0 HHABMN Cc1c(C(=O)NC[C@@H](c2cccc(Cl)c2)N(C)C)cccc1N1CCOCC1 ZINC000019664163 558954882 /nfs/dbraw/zinc/95/48/82/558954882.db2.gz COIGSYDWGGFGBB-NRFANRHFSA-N 0 1 401.938 3.518 40 0 HHABMN O=C(CN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCC1 ZINC000072359395 558955008 /nfs/dbraw/zinc/95/50/08/558955008.db2.gz DXCGORAUJXHYES-QGZVFWFLSA-N 0 1 418.463 3.964 40 0 HHABMN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)Cc4ccc(F)cc4)C3)n[nH]2)cc1 ZINC000072371367 558958105 /nfs/dbraw/zinc/95/81/05/558958105.db2.gz LHWFMPWUAVAOIP-GOSISDBHSA-N 0 1 423.488 3.738 40 0 HHABMN Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCN(Cc3cnc(N(C)C)nc3)C2)n1 ZINC000072374778 558962764 /nfs/dbraw/zinc/96/27/64/558962764.db2.gz HNFGVJWSKXISCV-NRFANRHFSA-N 0 1 405.521 3.965 40 0 HHABMN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccc(Cl)cc4Cl)C[C@H]32)c(OC)n1 ZINC000072392598 558972314 /nfs/dbraw/zinc/97/23/14/558972314.db2.gz XWQULQPHHBOMCT-BXJCWQANSA-N 0 1 424.328 3.530 40 0 HHABMN Cc1c(CN2CCC[C@@]3(CCC(=O)N3Cc3cncs3)CC2)nc2ccccn12 ZINC000585100716 559024282 /nfs/dbraw/zinc/02/42/82/559024282.db2.gz UQQVPSOYVWBWKV-JOCHJYFZSA-N 0 1 409.559 3.647 40 0 HHABMN CC(C)n1cc(CN2CCC[C@@]3(C[C@H](NC(=O)OCc4ccccc4)CO3)C2)cn1 ZINC000585102405 559026152 /nfs/dbraw/zinc/02/61/52/559026152.db2.gz HFWWMCABYRSAPF-JTHBVZDNSA-N 0 1 412.534 3.514 40 0 HHABMN Cc1ccc(CC(=O)N2CCC[C@@]3(CN(C)Cc4c(-c5ccccc5)ncn43)C2)cc1 ZINC000585107264 559027755 /nfs/dbraw/zinc/02/77/55/559027755.db2.gz RZPKXUVAJBLQCA-AREMUKBSSA-N 0 1 414.553 3.864 40 0 HHABMN CCCN1CCN(Cc2cnc[nH]2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183559 559070428 /nfs/dbraw/zinc/07/04/28/559070428.db2.gz APVNZYMCKUXZOU-QFIPXVFZSA-N 0 1 402.542 3.990 40 0 HHABMN O=C(C[C@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053104 559092948 /nfs/dbraw/zinc/09/29/48/559092948.db2.gz GRJCHWHTOJDEMI-FQEVSTJZSA-N 0 1 405.542 3.899 40 0 HHABMN O=C(C[C@H]1CC2(CCN(Cc3ccccn3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053224 559093070 /nfs/dbraw/zinc/09/30/70/559093070.db2.gz OJUVJBRIIFFFSW-FQEVSTJZSA-N 0 1 405.542 3.995 40 0 HHABMN O=S1(=O)c2ccccc2O[C@H]2CCN(Cc3ccccc3)CC[C@@H]2N1CC1CC1 ZINC000096145898 559097651 /nfs/dbraw/zinc/09/76/51/559097651.db2.gz YOHBWYOTXJSVMY-SFTDATJTSA-N 0 1 412.555 3.513 40 0 HHABMN CCC(CC)NC(=O)c1cnc(-c2noc3cc(N4CCN(C)CC4)ccc32)s1 ZINC000096154611 559099031 /nfs/dbraw/zinc/09/90/31/559099031.db2.gz ZSQYFKTUJCFICN-UHFFFAOYSA-N 0 1 413.547 3.622 40 0 HHABMN COCCc1ncc(CN2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585262546 559111079 /nfs/dbraw/zinc/11/10/79/559111079.db2.gz DXMPKPHUVBCLPL-UHFFFAOYSA-N 0 1 424.574 3.949 40 0 HHABMN N[C@H](C(=O)NCC1CCC(c2ccnc(Nc3ccccn3)n2)CC1)c1ccccc1 ZINC000072380004 559186536 /nfs/dbraw/zinc/18/65/36/559186536.db2.gz ANMSEIJIPACNNM-IRZJEQJZSA-N 0 1 416.529 3.705 40 0 HHABMN O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000004858896 560612597 /nfs/dbraw/zinc/61/25/97/560612597.db2.gz BNLQOPBEZCZKFT-UHFFFAOYSA-N 0 1 403.530 3.981 40 0 HHABMN O=C(CSc1nc(Cc2ccccc2)n[nH]1)Nc1ccc(Br)cc1 ZINC000005522831 560627027 /nfs/dbraw/zinc/62/70/27/560627027.db2.gz ILPZSBMDPQCQGI-UHFFFAOYSA-N 0 1 403.305 3.889 40 0 HHABMN CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000409412113 560721719 /nfs/dbraw/zinc/72/17/19/560721719.db2.gz RLLIJLZMYZUMTG-UHFFFAOYSA-N 0 1 424.950 3.914 40 0 HHABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3Cl)s2)cc1 ZINC000225381137 568633112 /nfs/dbraw/zinc/63/31/12/568633112.db2.gz AGJJDYZLTJSNDH-UHFFFAOYSA-N 0 1 408.892 3.553 40 0 HHABMN CCOc1ccc([C@@H](N)c2nnc(-c3ccc(OCC)c(OCC)c3)[nH]2)cc1OC ZINC000095534344 568635403 /nfs/dbraw/zinc/63/54/03/568635403.db2.gz JOJHKVADOTYWJW-HXUWFJFHSA-N 0 1 412.490 3.725 40 0 HHABMN O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)N1 ZINC000059192225 568702402 /nfs/dbraw/zinc/70/24/02/568702402.db2.gz RFAHQJUKMYJXJV-RIYZIHGNSA-N 0 1 407.651 3.862 40 0 HHABMN CN(C(=O)CN1CCC(c2cccc(Nc3ncccn3)n2)CC1)C1CCCCC1 ZINC000257206477 568778175 /nfs/dbraw/zinc/77/81/75/568778175.db2.gz BDQWQKGZNVPLQD-UHFFFAOYSA-N 0 1 408.550 3.586 40 0 HHABMN Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)c3ccn(C(F)F)n3)C2)n1 ZINC000257239635 568787528 /nfs/dbraw/zinc/78/75/28/568787528.db2.gz HQEJIECQYRNACO-LBPRGKRZSA-N 0 1 404.446 3.811 40 0 HHABMN COCCc1ncc(CN2CCC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)cn1 ZINC000257251653 568790729 /nfs/dbraw/zinc/79/07/29/568790729.db2.gz JRPHEKOPDFRTIP-SFHVURJKSA-N 0 1 424.574 3.949 40 0 HHABMN CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)n1 ZINC000257265700 568794455 /nfs/dbraw/zinc/79/44/55/568794455.db2.gz LZXUANXDCAXIIK-UHFFFAOYSA-N 0 1 416.485 3.899 40 0 HHABMN Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257310552 568807505 /nfs/dbraw/zinc/80/75/05/568807505.db2.gz UFOUFWDNQXYDCD-MRXNPFEDSA-N 0 1 422.510 3.991 40 0 HHABMN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cc(-c3ccc(F)cc3)[nH]n1)C2 ZINC000257319408 568810300 /nfs/dbraw/zinc/81/03/00/568810300.db2.gz VSHWNVHMBYNJOF-XKPYVIEYSA-N 0 1 410.493 3.610 40 0 HHABMN CN1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000306134477 568896554 /nfs/dbraw/zinc/89/65/54/568896554.db2.gz NOYODNDISOLXIU-LYGPYEHVSA-N 0 1 423.601 3.737 40 0 HHABMN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4cccc(F)c4)C[C@H]32)cc1 ZINC000306134828 568896730 /nfs/dbraw/zinc/89/67/30/568896730.db2.gz NZFNHQRYYVTVMS-DHIUTWEWSA-N 0 1 405.473 3.717 40 0 HHABMN COc1ccc(CN2CC[C@]3(C2)CN(C(=O)c2ccsc2)c2cccnc23)cc1 ZINC000306135299 568897341 /nfs/dbraw/zinc/89/73/41/568897341.db2.gz OMUQLEYOJJWADV-QHCPKHFHSA-N 0 1 405.523 3.956 40 0 HHABMN CCc1ccc(CN2C[C@@H]3[C@@H](C2)N(Cc2csc(C)n2)C(=O)c2cccn23)cc1 ZINC000306137666 568899556 /nfs/dbraw/zinc/89/95/56/568899556.db2.gz RCTCCDNDTHMQGQ-FGZHOGPDSA-N 0 1 406.555 3.897 40 0 HHABMN O=C(c1ccsc1)N1C[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)c2ncccc21 ZINC000306141765 568903279 /nfs/dbraw/zinc/90/32/79/568903279.db2.gz WFRFINUVBPHIHR-QHCPKHFHSA-N 0 1 419.506 3.676 40 0 HHABMN CC(C)c1nc(N[C@H](C)CO)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329057225 568974955 /nfs/dbraw/zinc/97/49/55/568974955.db2.gz VWDOHPDNTWJBNM-CYBMUJFWSA-N 0 1 405.340 3.718 40 0 HHABMN COc1ccc(OC[C@H](O)CN2CCN(Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000027531074 569047401 /nfs/dbraw/zinc/04/74/01/569047401.db2.gz WZAIYJULKDBJGU-OAQYLSRUSA-N 0 1 412.574 3.550 40 0 HHABMN CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccccc2)N2CCCC[C@H]2C)n1C ZINC000248018162 569316009 /nfs/dbraw/zinc/31/60/09/569316009.db2.gz HBZOVRZEMGDEEB-NZSAHSFTSA-N 0 1 413.591 3.816 40 0 HHABMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)NC1=S ZINC000008169231 569339789 /nfs/dbraw/zinc/33/97/89/569339789.db2.gz QZAXEVMYVFCWRD-DTQAZKPQSA-N 0 1 404.447 3.787 40 0 HHABMN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)C3CC3)c3nccs3)C2)cc1OC ZINC000019560959 569345680 /nfs/dbraw/zinc/34/56/80/569345680.db2.gz XNXDUYBJVOOIQD-FXAWDEMLSA-N 0 1 415.559 3.640 40 0 HHABMN COc1ccc2c(c1)C=C(CN1CC[C@H](c3c4cccnc4sc3C(N)=O)C1)CO2 ZINC000019702233 569347426 /nfs/dbraw/zinc/34/74/26/569347426.db2.gz BNUWAXJKFRHULB-HNNXBMFYSA-N 0 1 421.522 3.669 40 0 HHABMN Cc1cccc(CNc2[nH]nc3nc([C@H]4CCN(C(=O)c5ccccc5)C4)ccc32)n1 ZINC000019704430 569347615 /nfs/dbraw/zinc/34/76/15/569347615.db2.gz UDBGHJRNLGRNMX-SFHVURJKSA-N 0 1 412.497 3.903 40 0 HHABMN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)C3CCCCC3)n2)cc1 ZINC000015675964 291254333 /nfs/dbraw/zinc/25/43/33/291254333.db2.gz XNBPSULWICSAJN-IBGZPJMESA-N 0 1 407.474 3.675 40 0 biogenic,in-vitro HHABMN COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4C(C)C)n3)cn2)cc1 ZINC000049155267 291254681 /nfs/dbraw/zinc/25/46/81/291254681.db2.gz UFNDYFWYKSIONN-SFHVURJKSA-N 0 1 407.474 3.938 40 0 biogenic,in-vitro HHABMN O=C(NC1CCCCC1)[C@@H]1Cc2nc[nH]c2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000015676284 291258882 /nfs/dbraw/zinc/25/88/82/291258882.db2.gz QQXFCPHCTXDBBT-IBGZPJMESA-N 0 1 406.452 3.804 40 0 biogenic,in-vitro HHABMN Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766361 558278721 /nfs/dbraw/zinc/27/87/21/558278721.db2.gz OIKNLGPTBFFIFD-HXUWFJFHSA-N 0 1 419.504 3.629 40 0 HHABMN COc1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(OC)cc1Cl ZINC000012042891 558313306 /nfs/dbraw/zinc/31/33/06/558313306.db2.gz SZGKAUIMIJKGFG-UHFFFAOYSA-N 0 1 406.685 3.921 40 0 HHABMN O=C(CCn1ncc2ccccc21)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 ZINC000012115964 558327996 /nfs/dbraw/zinc/32/79/96/558327996.db2.gz SMYSYLGWYCBGJG-UHFFFAOYSA-N 0 1 400.486 3.618 40 0 HHABMN O=C1CCC(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000012200284 558351338 /nfs/dbraw/zinc/35/13/38/558351338.db2.gz WJVLTVIFSDQRIK-UHFFFAOYSA-N 0 1 422.462 3.933 40 0 HHABMN COc1ccc2c(c1)C=C(CN1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)CO2 ZINC000012219470 558354997 /nfs/dbraw/zinc/35/49/97/558354997.db2.gz QUZMRPMGFTVTBQ-UHFFFAOYSA-N 0 1 410.489 3.738 40 0 HHABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(C)c(C)c3)cc2)n1 ZINC000020482573 558375423 /nfs/dbraw/zinc/37/54/23/558375423.db2.gz LADSHIFBKDLHEM-UHFFFAOYSA-N 0 1 424.526 3.692 40 0 HHABMN O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020485201 558376434 /nfs/dbraw/zinc/37/64/34/558376434.db2.gz TUYYQDDTLDGJLR-UHFFFAOYSA-N 0 1 413.524 3.754 40 0 HHABMN CCC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2cccc(OC)c2OC)C1 ZINC000012365820 558388274 /nfs/dbraw/zinc/38/82/74/558388274.db2.gz ITGGQNYEZHBJLS-KXBFYZLASA-N 0 1 403.548 3.640 40 0 HHABMN Cc1cc(C)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 ZINC000038772331 558815377 /nfs/dbraw/zinc/81/53/77/558815377.db2.gz BYSYDYLDNDNBFY-UHFFFAOYSA-N 0 1 411.483 3.517 40 0 HHABMN O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019014801 558836818 /nfs/dbraw/zinc/83/68/18/558836818.db2.gz WAHJMYBYWFGFNG-NRFANRHFSA-N 0 1 412.578 3.562 40 0 HHABMN O=C(C1CCCC1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014801 558836819 /nfs/dbraw/zinc/83/68/19/558836819.db2.gz WAHJMYBYWFGFNG-NRFANRHFSA-N 0 1 412.578 3.562 40 0 HHABMN O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019293555 558865251 /nfs/dbraw/zinc/86/52/51/558865251.db2.gz NXZQZSWDRNDMHR-NRFANRHFSA-N 0 1 424.520 3.989 40 0 HHABMN O=C(N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2F)CC1)c1ccccn1 ZINC000019348875 558874656 /nfs/dbraw/zinc/87/46/56/558874656.db2.gz MQCNBXANYJQPSU-HSZRJFAPSA-N 0 1 404.489 3.999 40 0 HHABMN CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cc(OC)ccc2OC)C1 ZINC000019499246 558897513 /nfs/dbraw/zinc/89/75/13/558897513.db2.gz KHKJKRFPQFOTBI-FOIQADDNSA-N 0 1 403.548 3.640 40 0 HHABMN CCN1CCN(C(=O)c2ccn[nH]2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O ZINC000019527308 558908238 /nfs/dbraw/zinc/90/82/38/558908238.db2.gz GBACOTUGDDDDAP-JOCHJYFZSA-N 0 1 416.525 3.548 40 0 HHABMN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000019530740 558911740 /nfs/dbraw/zinc/91/17/40/558911740.db2.gz NGNZRWFPOPXSJT-UHFFFAOYSA-N 0 1 402.882 3.532 40 0 HHABMN CC(C)N(C(=O)CN1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1)C(C)C ZINC000019574960 558932544 /nfs/dbraw/zinc/93/25/44/558932544.db2.gz SSKLGTXTFHBSFV-BFYDXBDKSA-N 0 1 415.504 3.625 40 0 HHABMN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(CN3CCCC3)c(C)o2)cc1 ZINC000019582508 558937633 /nfs/dbraw/zinc/93/76/33/558937633.db2.gz BKBHCZNNTXCDJL-HSZRJFAPSA-N 0 1 420.513 3.703 40 0 HHABMN CN(C)[C@@H](CNC(=O)C1(c2ccccc2F)CCOCC1)c1cccc(Cl)c1 ZINC000019654825 558948269 /nfs/dbraw/zinc/94/82/69/558948269.db2.gz RILHEGMWZDNVJW-FQEVSTJZSA-N 0 1 404.913 3.946 40 0 HHABMN CC(C)c1ncc(CN2CC[C@H](c3c4ccccc4sc3C(=O)NCCO)C2)cn1 ZINC000072352292 558948521 /nfs/dbraw/zinc/94/85/21/558948521.db2.gz RNSSOWJLRSKNLS-KRWDZBQOSA-N 0 1 424.570 3.526 40 0 HHABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)c2cn3cc(Cl)ccc3n2)cc1 ZINC000019660766 558952006 /nfs/dbraw/zinc/95/20/06/558952006.db2.gz PSOLCBWKTNQCOG-FQEVSTJZSA-N 0 1 407.861 3.507 40 0 HHABMN COc1ccccc1CC(=O)N1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371335 558957986 /nfs/dbraw/zinc/95/79/86/558957986.db2.gz ZWLZOOBKMUSQDO-SFHVURJKSA-N 0 1 423.488 3.738 40 0 HHABMN COc1ccccc1CC(=O)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371336 558958001 /nfs/dbraw/zinc/95/80/01/558958001.db2.gz ZWLZOOBKMUSQDO-GOSISDBHSA-N 0 1 423.488 3.738 40 0 HHABMN CCn1cc(CN2CCC([C@@H]3CC=CCN(Cc4cccc(OC)c4)C3=O)CC2)cn1 ZINC000019698462 558965988 /nfs/dbraw/zinc/96/59/88/558965988.db2.gz SYWBVIWTYHPKLF-DEOSSOPVSA-N 0 1 422.573 3.729 40 0 HHABMN O=C(COc1ccccc1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000019703621 558967618 /nfs/dbraw/zinc/96/76/18/558967618.db2.gz OGJMYNRTYKJUEA-JOCHJYFZSA-N 0 1 409.461 3.913 40 0 HHABMN O=C(COc1ccccc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703625 558967770 /nfs/dbraw/zinc/96/77/70/558967770.db2.gz DTQJPPIKVLTSET-OAQYLSRUSA-N 0 1 409.461 3.913 40 0 HHABMN O=C(c1cnccn1)N1CCC[C@H](c2[nH]ncc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000072380306 558968512 /nfs/dbraw/zinc/96/85/12/558968512.db2.gz LRPMBFVESXCIHU-AWEZNQCLSA-N 0 1 401.392 3.905 40 0 HHABMN Cn1cc(CN2CCC[C@@H]2c2ccc(C(=O)N3CCOCC3)cn2)c2cc(F)ccc21 ZINC000019708782 558971204 /nfs/dbraw/zinc/97/12/04/558971204.db2.gz KJAYKZXWHGEDEH-HSZRJFAPSA-N 0 1 422.504 3.522 40 0 HHABMN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2F)C1)c1ccccn1 ZINC000072398628 558976216 /nfs/dbraw/zinc/97/62/16/558976216.db2.gz ZZRRMPGGAFROFJ-CVDCTZTESA-N 0 1 404.489 3.999 40 0 HHABMN CCc1n[nH]c(C(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3ccncc3)CC2)c1C ZINC000257219251 558990573 /nfs/dbraw/zinc/99/05/73/558990573.db2.gz DGDLTTQKJRHEGT-SAABIXHNSA-N 0 1 406.534 3.780 40 0 HHABMN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4cc(F)ccc4F)C[C@@H]32)no1 ZINC000585109565 559029362 /nfs/dbraw/zinc/02/93/62/559029362.db2.gz BNNNTTDTRQHWJF-CNNODRBYSA-N 0 1 409.436 3.962 40 0 HHABMN Cc1c(F)cccc1C(=O)N1CCc2ncc(-c3cccc4c3CN(C)C4)n2CC1 ZINC000585111405 559030490 /nfs/dbraw/zinc/03/04/90/559030490.db2.gz SJGLIPDGIQLJIV-UHFFFAOYSA-N 0 1 404.489 3.642 40 0 HHABMN CC(C)CN1CC2(CCN(Cc3ccco3)CC2)COc2ccccc2S1(=O)=O ZINC000096037150 559090953 /nfs/dbraw/zinc/09/09/53/559090953.db2.gz BXQMSAJUKYRIER-UHFFFAOYSA-N 0 1 418.559 3.601 40 0 HHABMN O=C(C[C@@H]1CC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053227 559093132 /nfs/dbraw/zinc/09/31/32/559093132.db2.gz SQGNKJGDBCXGEN-OAQYLSRUSA-N 0 1 405.542 3.995 40 0 HHABMN Cc1noc(C)c1COc1ccc(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000585268320 559113223 /nfs/dbraw/zinc/11/32/23/559113223.db2.gz WBWHGJOPWAZFMA-DHIUTWEWSA-N 0 1 412.461 3.634 40 0 HHABMN CO[C@]1(COc2ccccc2F)CCCN(CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274618 559118590 /nfs/dbraw/zinc/11/85/90/559118590.db2.gz XSVXJVUWHHAMQS-HSZRJFAPSA-N 0 1 418.484 3.531 40 0 HHABMN CO[C@@]1(COc2ccccc2F)CCCN(CC(=O)NCc2cccc(F)c2)CC1 ZINC000585274620 559118710 /nfs/dbraw/zinc/11/87/10/559118710.db2.gz XSVXJVUWHHAMQS-QHCPKHFHSA-N 0 1 418.484 3.531 40 0 HHABMN Cc1cc2nc3c(c(=O)n2[n-]1)C[C@@H]1CC[C@H](C3)[N@H+]1Cc1ccc(-c2ccccn2)cc1 ZINC000100219583 559132240 /nfs/dbraw/zinc/13/22/40/559132240.db2.gz QDRZTEJONAZVRS-VQTJNVASSA-N 0 1 411.509 3.937 40 0 HHABMN O[C@@H](COC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022823045 559274307 /nfs/dbraw/zinc/27/43/07/559274307.db2.gz LXWJFNRCGIHCSA-MHXGMRQZSA-N 0 1 419.009 3.804 40 0 HHABMN COc1ccc(C[N@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccccc4n3C)C2)cc1 ZINC000514289946 560031055 /nfs/dbraw/zinc/03/10/55/560031055.db2.gz QSNCTPAWEJKNKC-OALUTQOASA-N 0 1 407.514 3.737 40 0 biogenic,in-vitro HHABMN O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000144487654 560544882 /nfs/dbraw/zinc/54/48/82/560544882.db2.gz FCRIRLKGJZICFP-UHFFFAOYSA-N 0 1 413.524 3.754 40 0 HHABMN C=C1N=C(SCC(C)C)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408985914 560661648 /nfs/dbraw/zinc/66/16/48/560661648.db2.gz BLDRRORULSKGAG-SFHVURJKSA-N 0 1 422.547 3.939 40 0 HHABMN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)cc(Cl)c3O)C2=O)c1 ZINC000409107122 560678637 /nfs/dbraw/zinc/67/86/37/560678637.db2.gz VDUJRFKCQCPQCU-VIZOYTHASA-N 0 1 420.252 3.539 40 0 HHABMN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)NC(=S)N1 ZINC000007260881 560750059 /nfs/dbraw/zinc/75/00/59/560750059.db2.gz JLWGJOZPWVVPPG-HNNXBMFYSA-N 0 1 413.337 3.594 40 0 HHABMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000021971102 568472999 /nfs/dbraw/zinc/47/29/99/568472999.db2.gz KOVSQCIGJPWPEO-UHFFFAOYSA-N 0 1 419.304 3.974 40 0 HHABMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NCc1cccs1 ZINC000022586025 568487231 /nfs/dbraw/zinc/48/72/31/568487231.db2.gz XWNKODHDLFCWOW-UHFFFAOYSA-N 0 1 405.567 3.772 40 0 HHABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000223357496 568546374 /nfs/dbraw/zinc/54/63/74/568546374.db2.gz STTSIXISBKSVOF-UHFFFAOYSA-N 0 1 409.320 3.630 40 0 HHABMN O=S(=O)(Cc1c(F)cccc1Cl)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000223632196 568554107 /nfs/dbraw/zinc/55/41/07/568554107.db2.gz HNLUNQVJYBXKFT-UHFFFAOYSA-N 0 1 416.261 3.802 40 0 HHABMN COc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000224536927 568584131 /nfs/dbraw/zinc/58/41/31/568584131.db2.gz YOTODKWMUAWRFU-UHFFFAOYSA-N 0 1 402.922 3.886 40 0 HHABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccccc3Cl)s2)c1 ZINC000225047907 568611049 /nfs/dbraw/zinc/61/10/49/568611049.db2.gz GEPGALSXUKYQGG-UHFFFAOYSA-N 0 1 408.892 3.553 40 0 HHABMN COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Br)cc2)o1 ZINC000028469956 568631357 /nfs/dbraw/zinc/63/13/57/568631357.db2.gz DHNADASIGDCRBA-HNNXBMFYSA-N 0 1 407.289 3.675 40 0 HHABMN CCc1nc(SCC(=O)Nc2cc(Br)ccc2Br)n[nH]1 ZINC000059938148 568709535 /nfs/dbraw/zinc/70/95/35/568709535.db2.gz CSFXZYPFRRFYTP-UHFFFAOYSA-N 0 1 420.130 3.623 40 0 HHABMN CCc1n[nH]c(SCC(=O)Nc2cc(Br)ccc2Br)n1 ZINC000059938148 568709536 /nfs/dbraw/zinc/70/95/36/568709536.db2.gz CSFXZYPFRRFYTP-UHFFFAOYSA-N 0 1 420.130 3.623 40 0 HHABMN CCN(CC)C(=O)CN1CCC(c2cccc(Nc3nc(C)c(C)s3)n2)CC1 ZINC000257258864 568792472 /nfs/dbraw/zinc/79/24/72/568792472.db2.gz KVVBPMOBTPYAPK-UHFFFAOYSA-N 0 1 401.580 3.946 40 0 HHABMN CCN(CC)C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2coc3cc(C)ccc23)CC1 ZINC000257263661 568793896 /nfs/dbraw/zinc/79/38/96/568793896.db2.gz LQXZDAFVDKLBJR-UHFFFAOYSA-N 0 1 422.529 3.895 40 0 HHABMN COc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000257276255 568797362 /nfs/dbraw/zinc/79/73/62/568797362.db2.gz NSZUMLTYOQZSJF-IAGOWNOFSA-N 0 1 424.545 3.841 40 0 HHABMN C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)c3ccn[nH]3)[C@H]1CCCCC(=O)N2 ZINC000257297710 568803802 /nfs/dbraw/zinc/80/38/02/568803802.db2.gz RIOFTMSJIPOYPR-ZWOKBUDYSA-N 0 1 420.435 3.833 40 0 HHABMN CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccccc4C(=O)[O-])[C@H]3C[C@H]21 ZINC000257304211 568805745 /nfs/dbraw/zinc/80/57/45/568805745.db2.gz SKMUNGJGXXAPBV-JYRKZWEQSA-N 0 1 409.482 3.982 40 0 HHABMN Cc1cccc(Nc2cc(C)nc(C3CCN(C(=O)c4cnc(C)cn4)CC3)c2)n1 ZINC000257324362 568811648 /nfs/dbraw/zinc/81/16/48/568811648.db2.gz WOJCRKYBOKJHDA-UHFFFAOYSA-N 0 1 402.502 3.955 40 0 HHABMN COc1cccc(N2CCC([N@@H+](CC(=O)[O-])Cc3ccc4c(c3)CC(C)(C)O4)CC2)c1 ZINC000257335751 568814903 /nfs/dbraw/zinc/81/49/03/568814903.db2.gz YLRNVBKYPFBCIW-UHFFFAOYSA-N 0 1 424.541 3.964 40 0 HHABMN O[C@H](COc1ccc(Cl)cc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026780734 568831378 /nfs/dbraw/zinc/83/13/78/568831378.db2.gz MKXJSHZPYZGLHI-SFHVURJKSA-N 0 1 414.855 3.921 40 0 HHABMN COc1ccc(CN2C(=O)c3cccn3[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)cc1 ZINC000306142642 568904249 /nfs/dbraw/zinc/90/42/49/568904249.db2.gz XFKHANSNBGKSCT-PKTZIBPZSA-N 0 1 405.473 3.717 40 0 HHABMN CCC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020139906 569031070 /nfs/dbraw/zinc/03/10/70/569031070.db2.gz HWNCNYMVSQNVOB-UHFFFAOYSA-N 0 1 404.562 3.725 40 0 HHABMN CC(C)c1cc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n[nH]1 ZINC000019694772 569346665 /nfs/dbraw/zinc/34/66/65/569346665.db2.gz IOQHATGZAJUGCU-MRXNPFEDSA-N 0 1 422.508 3.825 40 0 HHABMN CCc1ccc(N2C(=O)C(=Cc3ccccc3N3CCOCC3)C(=O)NC2=S)cc1 ZINC000033423471 569350517 /nfs/dbraw/zinc/35/05/17/569350517.db2.gz STRRFGYBHVZQOJ-CYVLTUHYSA-N 0 1 421.522 3.757 40 0 HHABMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC#N ZINC000033827621 569351488 /nfs/dbraw/zinc/35/14/88/569351488.db2.gz RHWJLNQGVFSJGT-LFIBNONCSA-N 0 1 421.478 3.886 40 0 HHABMN Cn1nc(-c2ccccc2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1cccs1 ZINC000008635317 571097493 /nfs/dbraw/zinc/09/74/93/571097493.db2.gz XBLAUGULFOUMJJ-OTWHNJEPSA-N 0 1 406.555 3.756 40 0 biogenic,in-vitro HHABMN Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1cccs1 ZINC000008635317 571097495 /nfs/dbraw/zinc/09/74/95/571097495.db2.gz XBLAUGULFOUMJJ-OTWHNJEPSA-N 0 1 406.555 3.756 40 0 biogenic,in-vitro HHABMN