smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc([C@@H]2CCCO2)nc(-c2ccccc2C[N@H+]2CCc3sccc3C2)[nH]1 ZINC000023428974 837073205 /nfs/dbraw/zinc/07/32/05/837073205.db2.gz IJUGYPVUIIOOPJ-IBGZPJMESA-N 0 1 393.512 3.908 50 0 GHAAMN O=c1cc([C@@H]2CCCO2)nc(-c2ccccc2CN2CCc3sccc3C2)[nH]1 ZINC000023428974 837073212 /nfs/dbraw/zinc/07/32/12/837073212.db2.gz IJUGYPVUIIOOPJ-IBGZPJMESA-N 0 1 393.512 3.908 50 0 GHAAMN CCc1nc([C@@H]2CCCN2C(=O)c2noc(C)c2COc2ccc(C)cc2)n[nH]1 ZINC000257177689 838719962 /nfs/dbraw/zinc/71/99/62/838719962.db2.gz XTKLBOYPICNIBO-KRWDZBQOSA-N 0 1 395.463 3.528 50 0 GHAAMN Cc1cn[nH]c1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000020877994 839980290 /nfs/dbraw/zinc/98/02/90/839980290.db2.gz PZPGOKNLXPRFDQ-LJQANCHMSA-N 0 1 381.501 3.953 50 0 GHAAMN CCOc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3nncn3C(C)C)n[nH]2)cc1 ZINC000253412593 850599403 /nfs/dbraw/zinc/59/94/03/850599403.db2.gz RLWRFWVCSXYWTI-IBGZPJMESA-N 0 1 394.479 3.625 50 0 GHAAMN C[C@](O)(CNCc1csc(-c2ccc3c(c2)OCO3)n1)c1ccc(F)cc1 ZINC000157814847 857499117 /nfs/dbraw/zinc/49/91/17/857499117.db2.gz UZAVBLXFFYSPFZ-FQEVSTJZSA-N 0 1 386.448 3.675 50 0 GHAAMN CC(=O)NCC[C@@H]1CCCCN1Cc1nc(-c2cc(F)ccc2F)oc1C ZINC000012031546 858585619 /nfs/dbraw/zinc/58/56/19/858585619.db2.gz RHORKWTZPLSSLH-INIZCTEOSA-N 0 1 377.435 3.809 50 0 GHAAMN C[N@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(=O)[O-])C1 ZINC000020335333 858988584 /nfs/dbraw/zinc/98/85/84/858988584.db2.gz AZYNQQDTPZVPIL-UHFFFAOYSA-N 0 1 385.272 3.993 50 0 GHAAMN C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(=O)[O-])C1 ZINC000020335333 858988578 /nfs/dbraw/zinc/98/85/78/858988578.db2.gz AZYNQQDTPZVPIL-UHFFFAOYSA-N 0 1 385.272 3.993 50 0 GHAAMN COc1cccc(CN2CCC[C@@H](NC(=O)Cc3ccc(SC)cc3)C2)c1 ZINC000012588524 859445689 /nfs/dbraw/zinc/44/56/89/859445689.db2.gz QAJQQYFZGYXKCX-LJQANCHMSA-N 0 1 384.545 3.740 50 0 GHAAMN CCOc1ccccc1NC(=O)N1CC(N(Cc2cccnc2)CC(C)C)C1 ZINC000169784053 859778871 /nfs/dbraw/zinc/77/88/71/859778871.db2.gz ZVKCAIKHXALPJU-UHFFFAOYSA-N 0 1 382.508 3.855 50 0 GHAAMN CN1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2C(=O)c1ccc(F)cc1 ZINC000020436109 860573187 /nfs/dbraw/zinc/57/31/87/860573187.db2.gz RMLQSTOUWFCVKZ-UHFFFAOYSA-N 0 1 399.466 3.659 50 0 GHAAMN CN(C)[C@H](CNc1ncnc2scc(-c3ccc(F)cc3)c21)c1cnn(C)c1 ZINC000095960174 860720942 /nfs/dbraw/zinc/72/09/42/860720942.db2.gz WTCRJLAUHRQCMR-QGZVFWFLSA-N 0 1 396.495 3.946 50 0 GHAAMN CN(C)[C@@H](CNc1ncnc2scc(-c3ccc(F)cc3)c21)c1cnn(C)c1 ZINC000095960175 860721336 /nfs/dbraw/zinc/72/13/36/860721336.db2.gz WTCRJLAUHRQCMR-KRWDZBQOSA-N 0 1 396.495 3.946 50 0 GHAAMN Cc1ccsc1C(=O)OCc1nnc(Cc2ccccc2Br)[nH]1 ZINC000096006857 860744915 /nfs/dbraw/zinc/74/49/15/860744915.db2.gz GUVQWABDONSJCS-UHFFFAOYSA-N 0 1 392.278 3.885 50 0 GHAAMN Cc1ccsc1C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1 ZINC000096006857 860744922 /nfs/dbraw/zinc/74/49/22/860744922.db2.gz GUVQWABDONSJCS-UHFFFAOYSA-N 0 1 392.278 3.885 50 0 GHAAMN CSc1cccc(NS(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C)o2)c1 ZINC000096379562 860907502 /nfs/dbraw/zinc/90/75/02/860907502.db2.gz UZQBGIXOSPWNBA-UHFFFAOYSA-N 0 1 378.479 3.513 50 0 GHAAMN O=C(CSc1nc(C=Cc2ccc(F)cc2)n[nH]1)NCCc1cccs1 ZINC000096942222 861063854 /nfs/dbraw/zinc/06/38/54/861063854.db2.gz CIKKUBLVXPHNNF-YVMONPNESA-N 0 1 388.493 3.627 50 0 GHAAMN Cc1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCN(C)CC2)cc1 ZINC000022582571 861154969 /nfs/dbraw/zinc/15/49/69/861154969.db2.gz BSAJXWQWNMPXAX-IBGZPJMESA-N 0 1 389.902 3.506 50 0 GHAAMN Cc1c(CN[C@@H]2CC(C)(C)Oc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000153071570 881844673 /nfs/dbraw/zinc/84/46/73/881844673.db2.gz LWZPLOQLYZUEFE-HXUWFJFHSA-N 0 1 377.488 3.876 50 0 GHAAMN Cc1cnc(C2CCOCC2)n1C[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000575547662 866187867 /nfs/dbraw/zinc/18/78/67/866187867.db2.gz POXVQKUKAMLSJM-IBGZPJMESA-N 0 1 399.510 3.706 50 0 GHAAMN COc1cccc(CC(=O)N2CCC[C@@H](n3c(C)cnc3C3CCOCC3)C2)c1 ZINC000581806024 870028456 /nfs/dbraw/zinc/02/84/56/870028456.db2.gz JXUCJHBODXIXKF-HXUWFJFHSA-N 0 1 397.519 3.500 50 0 GHAAMN Cc1cnc(C2CC2)n1C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000581808773 870039665 /nfs/dbraw/zinc/03/96/65/870039665.db2.gz LNQHTQLZQVYHKF-UHFFFAOYSA-N 0 1 385.533 3.583 50 0 GHAAMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181348230 870895695 /nfs/dbraw/zinc/89/56/95/870895695.db2.gz LZUMKAOJWQJAAU-MRXNPFEDSA-N 0 1 378.480 3.646 50 0 GHAAMN Cc1[nH]nc(C(C)C)c1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181348230 870895708 /nfs/dbraw/zinc/89/57/08/870895708.db2.gz LZUMKAOJWQJAAU-MRXNPFEDSA-N 0 1 378.480 3.646 50 0 GHAAMN O=c1oc2cccnc2n1CCN[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000182695932 872687478 /nfs/dbraw/zinc/68/74/78/872687478.db2.gz ACFMHZUTROXNRV-ZDUSSCGKSA-N 0 1 385.773 3.926 50 0 GHAAMN COc1cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cc(Cl)c1OC ZINC000179777933 878006759 /nfs/dbraw/zinc/00/67/59/878006759.db2.gz NHNJZEFDORASLN-OAHLLOKOSA-N 0 1 386.883 3.780 50 0 GHAAMN O=C1NCCCN1C1CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000093669209 912379062 /nfs/dbraw/zinc/37/90/62/912379062.db2.gz NOTIYPRWKJFJLD-UHFFFAOYSA-N 0 1 379.504 3.645 50 0 GHAAMN CC[N@@H+](CC(=O)[O-])C1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000263012025 892401687 /nfs/dbraw/zinc/40/16/87/892401687.db2.gz HTCFKBLVIVXWOA-UHFFFAOYSA-N 0 1 392.258 3.535 50 0 GHAAMN Cc1ncc(C(=O)N[C@@H](C)CN2CCc3ccccc3C2)c(-c2ccccc2)n1 ZINC000670440268 893311382 /nfs/dbraw/zinc/31/13/82/893311382.db2.gz RNUQFQYQLDWMDF-KRWDZBQOSA-N 0 1 386.499 3.629 50 0 GHAAMN CN1CCC(N(c2ccccc2)S(=O)(=O)c2cccc3ncccc32)CC1 ZINC000191949348 896098673 /nfs/dbraw/zinc/09/86/73/896098673.db2.gz XCDAHALOMQRTQY-UHFFFAOYSA-N 0 1 381.501 3.524 50 0 GHAAMN C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)/C=C\c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000096947520 915266054 /nfs/dbraw/zinc/26/60/54/915266054.db2.gz OOMVDFNULQLWSE-LEQAYGSTSA-N 0 1 384.442 3.723 50 0 GHAAMN C[C@@H]1CN(C(C)(C)CNC(=O)/C=C\c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000096947520 915266068 /nfs/dbraw/zinc/26/60/68/915266068.db2.gz OOMVDFNULQLWSE-LEQAYGSTSA-N 0 1 384.442 3.723 50 0 GHAAMN CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CCN(C/C=C/c1ccco1)CC2 ZINC000014532255 919333123 /nfs/dbraw/zinc/33/31/23/919333123.db2.gz JTGNEGVOYJMEPC-FNORWQNLSA-N 0 1 387.524 3.846 50 0 GHAAMN c1cc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)n(-c2ccccn2)c1 ZINC000055342190 924040564 /nfs/dbraw/zinc/04/05/64/924040564.db2.gz RQQCYGPLNGNZSS-FQEVSTJZSA-N 0 1 382.471 3.892 50 0 GHAAMN Cc1nc(C=CC(=O)Nc2nc(-c3ccccc3Br)n[nH]2)cs1 ZINC000012929721 928211393 /nfs/dbraw/zinc/21/13/93/928211393.db2.gz MGXJDTILNQBWIJ-VOTSOKGWSA-N 0 1 390.266 3.651 50 0 GHAAMN O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCC1)c1ccc(Cl)cc1 ZINC000004745254 204073293 /nfs/dbraw/zinc/07/32/93/204073293.db2.gz MMFSCIJKSNXBJC-IBGZPJMESA-N 0 1 378.925 3.846 50 0 GHAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000004511583 204048632 /nfs/dbraw/zinc/04/86/32/204048632.db2.gz ZLNNXETWXMREJE-UHFFFAOYSA-N 0 1 380.260 3.904 50 0 GHAAMN CCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OC)c1 ZINC000005339669 204126680 /nfs/dbraw/zinc/12/66/80/204126680.db2.gz VVTMRLMYQHJQOY-OAQYLSRUSA-N 0 1 393.443 3.842 50 0 GHAAMN Cc1cccc(N2CCN(Cc3n[nH]c(=S)n3-c3ccccc3)CC2)c1C ZINC000004982052 204099720 /nfs/dbraw/zinc/09/97/20/204099720.db2.gz DRCWWGWWRKZTMA-UHFFFAOYSA-N 0 1 379.533 3.869 50 0 GHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccncc1 ZINC000006040039 204162422 /nfs/dbraw/zinc/16/24/22/204162422.db2.gz SACHOUCCBQVCNA-JOCHJYFZSA-N 0 1 398.422 3.628 50 0 GHAAMN COc1ccc(-c2n[nH]c(SCC(=O)NCc3ccc(Cl)cc3)n2)cc1 ZINC000006141930 204167338 /nfs/dbraw/zinc/16/73/38/204167338.db2.gz KRXPXLUPYXBWOE-UHFFFAOYSA-N 0 1 388.880 3.542 50 0 GHAAMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3OC)n2)cc1 ZINC000006171244 204168884 /nfs/dbraw/zinc/16/88/84/204168884.db2.gz PJNNRBLIVDYFPJ-LBPRGKRZSA-N 0 1 384.461 3.608 50 0 GHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000006328807 204174049 /nfs/dbraw/zinc/17/40/49/204174049.db2.gz LWEJBECPJYRTJC-UHFFFAOYSA-N 0 1 393.795 3.759 50 0 GHAAMN COCCNC(=O)CSc1[nH]c(-c2cccc(OC)c2)nc1-c1ccccc1 ZINC000006729206 204195540 /nfs/dbraw/zinc/19/55/40/204195540.db2.gz NTULIOQZBAVDKV-UHFFFAOYSA-N 0 1 397.500 3.607 50 0 GHAAMN CCOCCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(F)cc1 ZINC000006744849 204198389 /nfs/dbraw/zinc/19/83/89/204198389.db2.gz QDKBSGNDYAJYMV-NRFANRHFSA-N 0 1 395.434 3.893 50 0 GHAAMN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000007005437 204229483 /nfs/dbraw/zinc/22/94/83/204229483.db2.gz YWNDRZRHMGKRDD-UHFFFAOYSA-N 0 1 380.372 3.738 50 0 GHAAMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000007726313 204247634 /nfs/dbraw/zinc/24/76/34/204247634.db2.gz YVGRWQRHGMCFPC-UHFFFAOYSA-N 0 1 388.470 3.706 50 0 GHAAMN CN1CCN(c2ccccc2NC(=O)CCCc2c[nH]c3ccccc23)CC1 ZINC000007718878 204247650 /nfs/dbraw/zinc/24/76/50/204247650.db2.gz QEYMFDXCSRWCBW-UHFFFAOYSA-N 0 1 376.504 3.881 50 0 GHAAMN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(F)cc1 ZINC000007729027 204248149 /nfs/dbraw/zinc/24/81/49/204248149.db2.gz MQDBEJSTMPQHFS-UHFFFAOYSA-N 0 1 385.342 3.831 50 0 GHAAMN CN(CC(=O)N1CCN(Cc2cccc3ccccc32)CC1)Cc1ccsc1 ZINC000007806337 204251365 /nfs/dbraw/zinc/25/13/65/204251365.db2.gz IIKYSCASJNPIIE-UHFFFAOYSA-N 0 1 393.556 3.678 50 0 GHAAMN Cc1[nH]c2nn(-c3nc4ccccc4s3)c(=O)c-2c(O)c1Cc1ccccc1 ZINC000008768191 204289986 /nfs/dbraw/zinc/28/99/86/204289986.db2.gz UXIBRKGTADVLAN-UHFFFAOYSA-N 0 1 388.452 3.516 50 0 GHAAMN Cc1ccc(NC(=[NH2+])Nc2nc(CSc3ccccn3)cc(=O)[n-]2)c(C)c1 ZINC000009010114 204297199 /nfs/dbraw/zinc/29/71/99/204297199.db2.gz WOHIEKGJFNANLM-UHFFFAOYSA-N 0 1 380.477 3.945 50 0 GHAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)NC1CCCCC1 ZINC000009053846 204297273 /nfs/dbraw/zinc/29/72/73/204297273.db2.gz PDSYRKOMODTIHS-UHFFFAOYSA-N 0 1 393.439 3.993 50 0 biogenic GHAAMN COc1cc(-c2noc(-c3cc(-c4cccs4)n[nH]3)n2)cc(OC)c1OC ZINC000009002127 204297468 /nfs/dbraw/zinc/29/74/68/204297468.db2.gz IKUYHBHCSHFBPN-UHFFFAOYSA-N 0 1 384.417 3.881 50 0 GHAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1C(=O)N1CCCCC1 ZINC000009684395 204319423 /nfs/dbraw/zinc/31/94/23/204319423.db2.gz ZKKFVFJCUGOKPO-UHFFFAOYSA-N 0 1 389.521 3.675 50 0 GHAAMN CCc1ccc(NS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1 ZINC000009684407 204319892 /nfs/dbraw/zinc/31/98/92/204319892.db2.gz DPOOVQQSASFZHN-UHFFFAOYSA-N 0 1 389.521 3.621 50 0 GHAAMN Cc1cccn2c(=O)cc(CN[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)nc12 ZINC000010032251 204329523 /nfs/dbraw/zinc/32/95/23/204329523.db2.gz NCVCIQMKJAJCKU-JOCHJYFZSA-N 0 1 393.487 3.651 50 0 GHAAMN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2ccccc2F)CC1 ZINC000011754127 204352528 /nfs/dbraw/zinc/35/25/28/204352528.db2.gz UNWMNKPGDIKEBP-UHFFFAOYSA-N 0 1 398.478 3.770 50 0 GHAAMN Cc1ccc2nc([C@@H](C)NC(=O)[C@@H]3CC(Cc4cccc(F)c4)=NO3)[nH]c2c1 ZINC000012051812 204368960 /nfs/dbraw/zinc/36/89/60/204368960.db2.gz ZETGYRMMFCIDQQ-YJYMSZOUSA-N 0 1 380.423 3.575 50 0 GHAAMN CCCC[C@H]1CN(CCNC(=O)/C=C/c2ccncc2)Cc2ccccc2O1 ZINC000012152159 204377224 /nfs/dbraw/zinc/37/72/24/204377224.db2.gz ZZDGROPNZPYPOZ-GLCJEOIMSA-N 0 1 379.504 3.664 50 0 GHAAMN CC(C)N(C(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1 ZINC000012284637 204388637 /nfs/dbraw/zinc/38/86/37/204388637.db2.gz VRGJDSYWDHBWIU-LJQANCHMSA-N 0 1 379.504 3.779 50 0 GHAAMN Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000020806321 204740835 /nfs/dbraw/zinc/74/08/35/204740835.db2.gz UECGJRCMFMOXME-NRFANRHFSA-N 0 1 386.511 3.819 50 0 GHAAMN COc1cccc(CN(C[C@@H](C)O)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146713 205007424 /nfs/dbraw/zinc/00/74/24/205007424.db2.gz AZEKARYMJVYLLM-QRWLVFNGSA-N 0 1 388.895 3.725 50 0 GHAAMN CN(C)[C@H](CNC(=O)Cn1c2ccccc2nc1C(F)(F)F)c1cccs1 ZINC000036685108 205019757 /nfs/dbraw/zinc/01/97/57/205019757.db2.gz SHWZOMLKCOIZLJ-CQSZACIVSA-N 0 1 396.438 3.536 50 0 GHAAMN O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCCN(Cc2cccs2)CC1 ZINC000040089154 205050793 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COc1ccc(NC(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000058279279 205172175 /nfs/dbraw/zinc/17/21/75/205172175.db2.gz NCDRHWFZRKZBRL-UHFFFAOYSA-N 0 1 377.448 3.892 50 0 GHAAMN CCc1c[nH]nc1C1CCN(Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000067774191 205260220 /nfs/dbraw/zinc/26/02/20/205260220.db2.gz MFQBJDFYRSOTJX-UHFFFAOYSA-N 0 1 377.492 3.817 50 0 GHAAMN Cc1ccccc1-c1cn[nH]c1C1CCN(C(=O)c2cc(Cl)c[nH]c2=O)CC1 ZINC000067872629 205265656 /nfs/dbraw/zinc/26/56/56/205265656.db2.gz DUPGRHUKBXXNTM-UHFFFAOYSA-N 0 1 396.878 3.747 50 0 GHAAMN O=C(NCc1cc(Br)ccc1F)[C@@H]1CCCN1Cc1ccccc1 ZINC000069324666 205273683 /nfs/dbraw/zinc/27/36/83/205273683.db2.gz BMNHZSGAHSGCMN-SFHVURJKSA-N 0 1 391.284 3.869 50 0 GHAAMN Cc1nc(C)c(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)s1 ZINC000072132916 205306263 /nfs/dbraw/zinc/30/62/63/205306263.db2.gz VUOVBJJYPOGIGL-XUVXKRRUSA-N 0 1 381.545 3.771 50 0 GHAAMN Cc1ccccc1OC1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)CC1 ZINC000077387363 205360849 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[O-][C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc3ccccc3s1)c1ccccc1OC2 ZINC000005275050 206215987 /nfs/dbraw/zinc/21/59/87/206215987.db2.gz SJANWJHLGDYGHJ-GTNSWQLSSA-N 0 1 391.374 3.780 50 0 GHAAMN Cc1ccccc1OCCN(C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000040103801 132395833 /nfs/dbraw/zinc/39/58/33/132395833.db2.gz HHOLMVBIKHLMSS-UHFFFAOYSA-N 0 1 396.535 3.598 50 0 GHAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)CC1 ZINC000067690542 136164767 /nfs/dbraw/zinc/16/47/67/136164767.db2.gz BUDQMSCKDJKYJY-OAQYLSRUSA-N 0 1 399.485 3.700 50 0 GHAAMN COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1 ZINC000015641765 136201854 /nfs/dbraw/zinc/20/18/54/136201854.db2.gz NBUOQUYQWKPFIX-UHFFFAOYSA-N 0 1 393.409 3.718 50 0 GHAAMN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000019770873 570218224 /nfs/dbraw/zinc/21/82/24/570218224.db2.gz QMIIWQGANXDDCF-MSYGRNIXSA-N 0 1 392.559 3.786 50 0 GHAAMN Cc1nc(C)c(-c2cnc(NS(=O)(=O)c3ccc(Cl)cc3)nc2)s1 ZINC000001023956 570235471 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O=C(c1cc2c(s1)CCCCCC2)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000046048774 205103554 /nfs/dbraw/zinc/10/35/54/205103554.db2.gz NRBYHSYDELQKRT-SFHVURJKSA-N 0 1 376.566 3.734 50 0 GHAAMN c1nc(N2CCCC2)sc1CN1CCC[C@@H](Nc2ccc3c(c2)OCO3)C1 ZINC000055368729 205147236 /nfs/dbraw/zinc/14/72/36/205147236.db2.gz YSSSTKAJRFGPHL-MRXNPFEDSA-N 0 1 386.521 3.549 50 0 GHAAMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)NCc1ccccc1Cn1cccn1 ZINC000057364663 205156746 /nfs/dbraw/zinc/15/67/46/205156746.db2.gz VYQRTNKXGXOWJS-OAHLLOKOSA-N 0 1 398.894 3.710 50 0 GHAAMN Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000058170290 205165421 /nfs/dbraw/zinc/16/54/21/205165421.db2.gz GJSCLTGUDCFUKW-CVEARBPZSA-N 0 1 387.911 3.785 50 0 GHAAMN Cc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)N2CCCC2)o1 ZINC000058227725 205170457 /nfs/dbraw/zinc/17/04/57/205170457.db2.gz JKAFOLNSLIGFBJ-DOTOQJQBSA-N 0 1 376.884 3.962 50 0 GHAAMN CSc1ccc(NS(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)cc1 ZINC000065194136 205216778 /nfs/dbraw/zinc/21/67/78/205216778.db2.gz FILKEXDQZPVEEO-UHFFFAOYSA-N 0 1 392.506 3.523 50 0 GHAAMN CCn1nccc1NC(=O)c1cccc(CN2CCC[C@H]2c2ccccn2)c1 ZINC000067588954 205251173 /nfs/dbraw/zinc/25/11/73/205251173.db2.gz YJITWZKBUXLWLL-FQEVSTJZSA-N 0 1 375.476 3.887 50 0 GHAAMN c1nnc(-c2ccccc2-c2nc(CCc3ccccc3)nn2-c2ccccn2)[nH]1 ZINC000067713784 205256701 /nfs/dbraw/zinc/25/67/01/205256701.db2.gz YBAHLUDJLAOIQE-UHFFFAOYSA-N 0 1 393.454 3.900 50 0 GHAAMN COc1cc2cc(CN3CCCC[C@@H]3c3cccnc3)c(=O)[nH]c2cc1OC ZINC000067804202 205259748 /nfs/dbraw/zinc/25/97/48/205259748.db2.gz KBSROSKYLRQENK-LJQANCHMSA-N 0 1 379.460 3.668 50 0 GHAAMN CC(C)c1ncc(C(=O)N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)cn1 ZINC000067842041 205262234 /nfs/dbraw/zinc/26/22/34/205262234.db2.gz IAKHOJSBECQMIN-UHFFFAOYSA-N 0 1 389.503 3.934 50 0 GHAAMN O=C(CN1CCCC1)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067822139 205263324 /nfs/dbraw/zinc/26/33/24/205263324.db2.gz ULLKJMMHWVAKNP-UHFFFAOYSA-N 0 1 386.879 3.529 50 0 GHAAMN CCCc1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)[nH]n1 ZINC000071735772 205287041 /nfs/dbraw/zinc/28/70/41/205287041.db2.gz GBOSLJVHLDDTLZ-OAQYLSRUSA-N 0 1 386.515 3.874 50 0 GHAAMN COc1ncccc1C(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072140059 205308109 /nfs/dbraw/zinc/30/81/09/205308109.db2.gz SPLXCJIQEVUVDO-FQEVSTJZSA-N 0 1 385.483 3.602 50 0 GHAAMN O=C(CCc1cccnc1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000077287519 205358014 /nfs/dbraw/zinc/35/80/14/205358014.db2.gz JNXATXOYVRAISY-UHFFFAOYSA-N 0 1 378.451 3.950 50 0 GHAAMN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1 ZINC000077406296 205360339 /nfs/dbraw/zinc/36/03/39/205360339.db2.gz ZCNGNHAVSCKKNL-GOSISDBHSA-N 0 1 385.471 3.897 50 0 GHAAMN CCn1nc(C)c(-c2cc(C(=O)Nc3nc(-c4ccccn4)cs3)[nH]n2)c1C ZINC000095478463 205467476 /nfs/dbraw/zinc/46/74/76/205467476.db2.gz RYAPFMHOFZWWGZ-UHFFFAOYSA-N 0 1 393.476 3.681 50 0 GHAAMN CN(Cc1n[nH]c2c1CCC2)C(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1 ZINC000096133647 205528398 /nfs/dbraw/zinc/52/83/98/205528398.db2.gz XDLODPIJEFWHGR-QGZVFWFLSA-N 0 1 384.480 3.510 50 0 GHAAMN Cc1[nH]ncc1CNC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC000096324982 206121271 /nfs/dbraw/zinc/12/12/71/206121271.db2.gz MBLKVYMGUCLPMS-UHFFFAOYSA-N 0 1 391.456 3.510 50 0 GHAAMN CC(=O)Nc1cccc(NC(=O)CN[C@H](C)c2ccc(C(F)(F)F)cc2)c1 ZINC000241446920 206127355 /nfs/dbraw/zinc/12/73/55/206127355.db2.gz NPPOPAHKSVPXJE-GFCCVEGCSA-N 0 1 379.382 3.953 50 0 GHAAMN COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](c2ccnn2CC(=O)[O-])C1 ZINC000426359537 533338640 /nfs/dbraw/zinc/33/86/40/533338640.db2.gz KKWJFVPTFVUADT-KRWDZBQOSA-N 0 1 379.460 3.509 50 0 GHAAMN CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)CC1 ZINC000044838629 132419397 /nfs/dbraw/zinc/41/93/97/132419397.db2.gz QSGAGWRLGJUXCT-UHFFFAOYSA-N 0 1 390.487 3.746 50 0 GHAAMN CC1=C2C[C@@H]3[C@H](CN4CCN(c5ccccn5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012866751 136200622 /nfs/dbraw/zinc/20/06/22/136200622.db2.gz IDCQAOPXKSDGDT-RRZZWSPOSA-N 0 1 395.547 3.662 50 0 biogenic GHAAMN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1 ZINC000032495431 570217333 /nfs/dbraw/zinc/21/73/33/570217333.db2.gz VVNYFCNGTMJMAX-UHFFFAOYSA-N 0 1 390.487 3.963 50 0 GHAAMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000015730787 570222900 /nfs/dbraw/zinc/22/29/00/570222900.db2.gz DNKOCSJLKORVRL-GFCCVEGCSA-N 0 1 392.502 3.566 50 0 GHAAMN COc1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000988086 570233226 /nfs/dbraw/zinc/23/32/26/570233226.db2.gz FIFWCEJPVFYKRA-UHFFFAOYSA-N 0 1 376.659 3.912 50 0 GHAAMN Cc1ccc2ccc3cc(C(=O)NCCN4CCc5ccccc5C4)[nH]c3c2n1 ZINC000085577766 570244607 /nfs/dbraw/zinc/24/46/07/570244607.db2.gz YWMMGYZTOGMBJC-UHFFFAOYSA-N 0 1 384.483 3.813 50 0 GHAAMN CCOc1ccc2oc(=O)cc(CN3CCN(Cc4ccccc4)CC3)c2c1 ZINC000020446808 570255968 /nfs/dbraw/zinc/25/59/68/570255968.db2.gz KFVGOFZJSGSPKU-UHFFFAOYSA-N 0 1 378.472 3.510 50 0 GHAAMN Cc1ccc2nc(CNC(=O)N3CCCC[C@@H]3CCn3ccnc3)[nH]c2c1C ZINC000584902146 570271489 /nfs/dbraw/zinc/27/14/89/570271489.db2.gz AQVIXMGYEBBTTN-QGZVFWFLSA-N 0 1 380.496 3.531 50 0 GHAAMN O=C(NC1=NC(=O)[C@](F)(C(F)(F)F)S1)Nc1ccc(Cl)c(Cl)c1 ZINC000002872257 570313797 /nfs/dbraw/zinc/31/37/97/570313797.db2.gz KAZXGXPXQXRCSE-SNVBAGLBSA-N 0 1 390.145 3.972 50 0 GHAAMN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1 ZINC000022446624 570317063 /nfs/dbraw/zinc/31/70/63/570317063.db2.gz BJWLIQNCLGRWFV-MSNJVRRCSA-N 0 1 388.596 3.643 50 0 GHAAMN CCN1CCN(c2cc(C)nc3nc(-c4ccc(C(C)(C)C)cc4)nn32)CC1 ZINC000014610338 570319971 /nfs/dbraw/zinc/31/99/71/570319971.db2.gz UAIKZBPXTMTLIL-UHFFFAOYSA-N 0 1 378.524 3.539 50 0 GHAAMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2O)cc1C(N)=O ZINC000328596249 570319994 /nfs/dbraw/zinc/31/99/94/570319994.db2.gz YTGYBPPKIQJZKG-UHFFFAOYSA-N 0 1 375.233 3.692 50 0 GHAAMN CC(C)c1ccc(CN2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000022771404 570326595 /nfs/dbraw/zinc/32/65/95/570326595.db2.gz SVSIKNZVGMHZBI-SFHVURJKSA-N 0 1 390.531 3.925 50 0 GHAAMN Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1 ZINC000023055051 570342091 /nfs/dbraw/zinc/34/20/91/570342091.db2.gz YKEPWXKDVNDGRS-HSZRJFAPSA-N 0 1 398.466 3.507 50 0 GHAAMN Cc1cc2oc(-c3ccc4c(c3)CCO4)c(-c3c(O)cc(C)oc3=O)c2c(=O)o1 ZINC000604404074 570361117 /nfs/dbraw/zinc/36/11/17/570361117.db2.gz BNYMDOAXIKVXIM-UHFFFAOYSA-N 0 1 392.363 3.931 50 0 biogenic GHAAMN O=C(c1cc(=O)[nH]c2ccccc21)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000023936837 570375604 /nfs/dbraw/zinc/37/56/04/570375604.db2.gz NSYAXKTTYGELDZ-UHFFFAOYSA-N 0 1 397.478 3.639 50 0 GHAAMN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccccc1 ZINC000024222076 570381174 /nfs/dbraw/zinc/38/11/74/570381174.db2.gz CNIBFYCWCPWVRM-UHFFFAOYSA-N 0 1 376.659 3.912 50 0 GHAAMN CC(=O)N1CCc2cc(NC(=O)CN3CCC[C@@H]3c3ccc(C)cc3)ccc21 ZINC000013009024 570416240 /nfs/dbraw/zinc/41/62/40/570416240.db2.gz HODJNHBATSMRFG-OAQYLSRUSA-N 0 1 377.488 3.680 50 0 GHAAMN CC(=O)Nc1cc(C(=O)CSc2nccn2-c2cccc(C)c2)ccc1O ZINC000026046651 570421885 /nfs/dbraw/zinc/42/18/85/570421885.db2.gz TZUSGKYMXBUADT-UHFFFAOYSA-N 0 1 381.457 3.820 50 0 GHAAMN COc1cccc([C@H](O)CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000240707771 570430944 /nfs/dbraw/zinc/43/09/44/570430944.db2.gz HQKSSBGLGXFBHL-YTQUADARSA-N 0 1 381.394 3.555 50 0 GHAAMN O=C(COc1ccc(F)cc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000027662190 570438324 /nfs/dbraw/zinc/43/83/24/570438324.db2.gz XFQINLMYTGXQRW-LJQANCHMSA-N 0 1 376.859 3.811 50 0 GHAAMN COc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000027664282 570439715 /nfs/dbraw/zinc/43/97/15/570439715.db2.gz AXPSFIQXZGYPAP-HXUWFJFHSA-N 0 1 388.895 3.681 50 0 GHAAMN O=C(CSc1n[nH]c(=S)s1)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000119271224 570618109 /nfs/dbraw/zinc/61/81/09/570618109.db2.gz NOWHQXAJQSZFEM-DYVFJYSZSA-N 0 1 377.560 3.847 50 0 GHAAMN COc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc(OC)c1OC ZINC000109021688 570632573 /nfs/dbraw/zinc/63/25/73/570632573.db2.gz COXRYYNDBVOMGI-INIZCTEOSA-N 0 1 397.431 3.693 50 0 GHAAMN O=C(c1cc(COc2cccc(F)c2)n[nH]1)N1CCCC[C@@H]1c1ccccn1 ZINC000012431148 570659530 /nfs/dbraw/zinc/65/95/30/570659530.db2.gz AEWQVTYAGPWARG-HXUWFJFHSA-N 0 1 380.423 3.890 50 0 GHAAMN CCOc1ccccc1-c1nc(CN2CCC(CN3CCCC3=O)CC2)c(C)o1 ZINC000012439579 570663574 /nfs/dbraw/zinc/66/35/74/570663574.db2.gz QFVYXGGKMGFUSC-UHFFFAOYSA-N 0 1 397.519 3.883 50 0 GHAAMN CCCn1cc(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)c(C)n1 ZINC000012441050 570664443 /nfs/dbraw/zinc/66/44/43/570664443.db2.gz UWYPAMARQNLFIR-UHFFFAOYSA-N 0 1 394.519 3.826 50 0 GHAAMN O=C(CCC1CCN(Cc2ccc(F)cc2Cl)CC1)NC[C@@H]1CCCO1 ZINC000012712594 570703187 /nfs/dbraw/zinc/70/31/87/570703187.db2.gz XZIOXISSXNEPFJ-SFHVURJKSA-N 0 1 382.907 3.767 50 0 GHAAMN CCCn1ncc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1C ZINC000012712690 570703300 /nfs/dbraw/zinc/70/33/00/570703300.db2.gz XPGQGHOSZSYGOW-KRWDZBQOSA-N 0 1 394.441 3.511 50 0 GHAAMN COc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)N2CCCC2)cc1 ZINC000017911337 570718501 /nfs/dbraw/zinc/71/85/01/570718501.db2.gz BTYVBKJDZLGXNY-NRFANRHFSA-N 0 1 382.504 3.644 50 0 GHAAMN CCc1cc2c(C[NH2+]Cc3ccccc3Cn3cccn3)cc(=O)oc2cc1[O-] ZINC000012974140 570734091 /nfs/dbraw/zinc/73/40/91/570734091.db2.gz YAUVVACITLXBKT-UHFFFAOYSA-N 0 1 389.455 3.596 50 0 GHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(F)cc2)N1C[C@H]1CCCO1 ZINC000013126950 570747911 /nfs/dbraw/zinc/74/79/11/570747911.db2.gz BEHLPQAYVRALQI-VFNWGFHPSA-N 0 1 393.418 3.646 50 0 GHAAMN CCN(Cc1ccc(OC)cc1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033068996 570775707 /nfs/dbraw/zinc/77/57/07/570775707.db2.gz OATJBZDNXPOOJU-UHFFFAOYSA-N 0 1 383.517 3.666 50 0 GHAAMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000032754916 570797699 /nfs/dbraw/zinc/79/76/99/570797699.db2.gz BOAHFNMYGDJQOD-UHFFFAOYSA-N 0 1 387.482 3.558 50 0 GHAAMN C[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccs1 ZINC000014138664 570825230 /nfs/dbraw/zinc/82/52/30/570825230.db2.gz IFPCXEKZPHJGJZ-NSHDSACASA-N 0 1 395.410 3.637 50 0 GHAAMN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCCCCC1 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COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000005126747 570421669 /nfs/dbraw/zinc/42/16/69/570421669.db2.gz YRGKTAVLHPVXIO-UHFFFAOYSA-N 0 1 386.267 3.576 50 0 GHAAMN Cc1ccc(CN2CCN(Cc3c[nH]nc3C3CCCCC3)C[C@H]2CCO)cc1 ZINC000036385582 570422536 /nfs/dbraw/zinc/42/25/36/570422536.db2.gz PVILFEQZHVSSPD-HSZRJFAPSA-N 0 1 396.579 3.835 50 0 GHAAMN O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000026997511 570430539 /nfs/dbraw/zinc/43/05/39/570430539.db2.gz HUMBNPCAYZKSSH-UHFFFAOYSA-N 0 1 380.835 3.875 50 0 GHAAMN Cc1c2cc(F)ccc2oc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000027581948 570436513 /nfs/dbraw/zinc/43/65/13/570436513.db2.gz JDCXAVAQABWEAZ-UHFFFAOYSA-N 0 1 387.499 3.560 50 0 GHAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CNCc2ccccc2)cc1 ZINC000089481766 570455321 /nfs/dbraw/zinc/45/53/21/570455321.db2.gz BZNHDNWASQDZPZ-UHFFFAOYSA-N 0 1 389.455 3.676 50 0 GHAAMN O=C1Cc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc2N1 ZINC000005252807 570529602 /nfs/dbraw/zinc/52/96/02/570529602.db2.gz YALAJLZSWHULJG-UHFFFAOYSA-N 0 1 380.425 3.774 50 0 GHAAMN Cc1cccc(NS(=O)(=O)c2cc(C)c(Br)cc2C(C)C)n1 ZINC000041096176 570537006 /nfs/dbraw/zinc/53/70/06/570537006.db2.gz YISUVUSRQYPHBS-UHFFFAOYSA-N 0 1 383.311 3.807 50 0 GHAAMN CCc1n[nH]c(-c2cc(OC)c(OC)c(OC)c2)c1NC(=O)Cc1ccccc1 ZINC000034794943 570543917 /nfs/dbraw/zinc/54/39/17/570543917.db2.gz AQYHMIJJCVXRAW-UHFFFAOYSA-N 0 1 395.459 3.846 50 0 GHAAMN CCN(C[C@H]1CCCN(CCc2cccc(F)c2)C1)C(=O)C(=O)CC(C)C ZINC000012372933 570648119 /nfs/dbraw/zinc/64/81/19/570648119.db2.gz QRSFQXHUJGXTAM-IBGZPJMESA-N 0 1 376.516 3.544 50 0 GHAAMN CC[C@@H](CO)[N-]C(=S)[NH+]=P(c1ccccc1)(N(CC)CC)N(CC)CC ZINC000006859896 570652020 /nfs/dbraw/zinc/65/20/20/570652020.db2.gz UAVNWVURRAFXFB-KRWDZBQOSA-N 0 1 398.557 3.672 50 0 GHAAMN COc1cc([C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCCN24)ccc1F ZINC000012571636 570681336 /nfs/dbraw/zinc/68/13/36/570681336.db2.gz FQOKDJSKWVRNRV-BPXKWBHBSA-N 0 1 384.451 3.674 50 0 GHAAMN Cc1cccc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1C ZINC000055227148 570688382 /nfs/dbraw/zinc/68/83/82/570688382.db2.gz PVTCODUITAJRAM-QFIPXVFZSA-N 0 1 395.522 3.869 50 0 GHAAMN CCOc1cccc2sc(N(CCN(C)C)C(=O)c3cccs3)nc21 ZINC000004359262 570701054 /nfs/dbraw/zinc/70/10/54/570701054.db2.gz XVIZWDJWIRBFOW-UHFFFAOYSA-N 0 1 375.519 3.965 50 0 GHAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)/C=C/c4ccco4)C3)C2)c1 ZINC000012760857 570710586 /nfs/dbraw/zinc/71/05/86/570710586.db2.gz ZKFKWELJYZCQGD-DRGXBFSJSA-N 0 1 398.478 3.955 50 0 GHAAMN COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1 ZINC000012761925 570711237 /nfs/dbraw/zinc/71/12/37/570711237.db2.gz RWDGMXFBKLPCMQ-QHCPKHFHSA-N 0 1 397.494 3.666 50 0 GHAAMN COc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)N2CCCC2)cc1 ZINC000017911367 570718454 /nfs/dbraw/zinc/71/84/54/570718454.db2.gz SIALBUJXRAVMSK-NRFANRHFSA-N 0 1 382.504 3.644 50 0 GHAAMN COc1ccccc1[C@@H](CNC(=O)c1coc(Br)c1)N1CCCC1 ZINC000032779871 570808319 /nfs/dbraw/zinc/80/83/19/570808319.db2.gz 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O=C(c1cccnc1)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000011934125 204362448 /nfs/dbraw/zinc/36/24/48/204362448.db2.gz ZNKUXSFFQKXSKD-GOSISDBHSA-N 0 1 385.458 3.734 50 0 GHAAMN CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1 ZINC000011937167 204364158 /nfs/dbraw/zinc/36/41/58/204364158.db2.gz ULNDBFBWFWYFRX-NRFANRHFSA-N 0 1 379.504 3.558 50 0 GHAAMN O=C(NC[C@@H]1CCCN(Cc2ccc(CO)o2)C1)c1cccc2ccccc21 ZINC000012029725 204367656 /nfs/dbraw/zinc/36/76/56/204367656.db2.gz BRNSESOOHZLDIU-KRWDZBQOSA-N 0 1 378.472 3.567 50 0 GHAAMN CCCC[C@@H]1CN(CCNC(=O)/C=C/c2ccncc2)Cc2ccccc2O1 ZINC000012152158 204376926 /nfs/dbraw/zinc/37/69/26/204376926.db2.gz ZZDGROPNZPYPOZ-LCCNJJIFSA-N 0 1 379.504 3.664 50 0 GHAAMN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000012197176 204381571 /nfs/dbraw/zinc/38/15/71/204381571.db2.gz HDNYGPXOYCRPTR-OAQYLSRUSA-N 0 1 389.927 3.770 50 0 GHAAMN CC(C)c1csc(CN2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)n1 ZINC000012210135 204384157 /nfs/dbraw/zinc/38/41/57/204384157.db2.gz CVTLMMDNYBVWLH-KRWDZBQOSA-N 0 1 379.570 3.554 50 0 GHAAMN O[C@H](COCc1ccccc1Cl)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000012550709 204421314 /nfs/dbraw/zinc/42/13/14/204421314.db2.gz LFEJJQIUHCQEEP-IBGZPJMESA-N 0 1 395.330 3.693 50 0 GHAAMN COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000014049704 204520839 /nfs/dbraw/zinc/52/08/39/204520839.db2.gz DEYOMMQLWMIBRN-UHFFFAOYSA-N 0 1 396.878 3.701 50 0 GHAAMN O=C(Nc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1)c1ccco1 ZINC000022411519 204781531 /nfs/dbraw/zinc/78/15/31/204781531.db2.gz KGEPATAYBNKOCQ-UHFFFAOYSA-N 0 1 378.356 3.611 50 0 GHAAMN CC(=O)Nc1cc(C(=O)CSc2nccn2-c2ccccc2C)ccc1O ZINC000026047205 204837247 /nfs/dbraw/zinc/83/72/47/204837247.db2.gz XFGJEYBZOKPKDI-UHFFFAOYSA-N 0 1 381.457 3.820 50 0 GHAAMN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1nc(-c2ccccc2)n[nH]1 ZINC000030686385 204898326 /nfs/dbraw/zinc/89/83/26/204898326.db2.gz LGGGTXWPQYDRMW-UHFFFAOYSA-N 0 1 387.399 3.677 50 0 GHAAMN CCn1cc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)c2ccccc21 ZINC000039447245 205042479 /nfs/dbraw/zinc/04/24/79/205042479.db2.gz BFOJHCAPXSYHKS-HXUWFJFHSA-N 0 1 383.561 3.792 50 0 GHAAMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc2c(c1)OCCCO2 ZINC000044892183 205089284 /nfs/dbraw/zinc/08/92/84/205089284.db2.gz YVMROVOUUGWFBC-SFHVURJKSA-N 0 1 379.416 3.828 50 0 GHAAMN O=S1(=O)CC[C@@H](NCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)C1 ZINC000052915947 205135048 /nfs/dbraw/zinc/13/50/48/205135048.db2.gz OGMHOYOZPJWRIX-OAHLLOKOSA-N 0 1 385.407 3.774 50 0 GHAAMN O=C(CCCNC(=O)C1CC1)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000057005070 205154125 /nfs/dbraw/zinc/15/41/25/205154125.db2.gz ASKPTKMNEQXEFM-UHFFFAOYSA-N 0 1 398.413 3.753 50 0 GHAAMN CC(C)[C@@H](C(=O)NCc1ccc(OC(F)F)cc1)N1CCc2ccccc2C1 ZINC000058154371 205164084 /nfs/dbraw/zinc/16/40/84/205164084.db2.gz SDCGTJLHDQMQMX-FQEVSTJZSA-N 0 1 388.458 3.987 50 0 GHAAMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(Br)c[nH]1 ZINC000058349813 205173707 /nfs/dbraw/zinc/17/37/07/205173707.db2.gz AYXJLVGBINJWPA-UHFFFAOYSA-N 0 1 396.716 3.825 50 0 GHAAMN O=C(CN1CCC(c2cc3ccccc3[nH]2)CC1)N[C@H]1CCOc2ccccc21 ZINC000058433826 205176393 /nfs/dbraw/zinc/17/63/93/205176393.db2.gz AEWJMRWJQYXZPG-NRFANRHFSA-N 0 1 389.499 3.987 50 0 GHAAMN COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000064979476 205204207 /nfs/dbraw/zinc/20/42/07/205204207.db2.gz TZEFBBQIIMZNNF-UHFFFAOYSA-N 0 1 376.409 3.907 50 0 GHAAMN COc1cc(-c2ccno2)ccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 ZINC000064979583 205204429 /nfs/dbraw/zinc/20/44/29/205204429.db2.gz OPZGLNSVCIAVML-UHFFFAOYSA-N 0 1 382.800 3.944 50 0 GHAAMN COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3sccc3N)CC2)c1 ZINC000067883895 205265627 /nfs/dbraw/zinc/26/56/27/205265627.db2.gz PTWKSZOYOPYJLP-UHFFFAOYSA-N 0 1 382.489 3.749 50 0 GHAAMN Cc1ccc(-c2nnc(CN3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)o2)n1C ZINC000067446746 205247358 /nfs/dbraw/zinc/24/73/58/205247358.db2.gz PBUIWZJNULYOKE-INIZCTEOSA-N 0 1 390.491 3.715 50 0 GHAAMN Cc1ccc([C@@H](CNC(=O)CCOc2ccc(Cl)cc2)N2CCCC2)o1 ZINC000072072603 205303315 /nfs/dbraw/zinc/30/33/15/205303315.db2.gz NENCVYJJSSCATB-GOSISDBHSA-N 0 1 376.884 3.964 50 0 GHAAMN CCc1nc(C)c(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)o1 ZINC000072154596 205312334 /nfs/dbraw/zinc/31/23/34/205312334.db2.gz DOJGMCVNMILDGE-CEWLAPEOSA-N 0 1 379.504 3.556 50 0 GHAAMN CCc1ncc(CN2CCC(c3n[nH]cc3-c3cccc(OC)c3)CC2)cn1 ZINC000077323844 205359857 /nfs/dbraw/zinc/35/98/57/205359857.db2.gz KMNFGCBQJCFTKS-UHFFFAOYSA-N 0 1 377.492 3.817 50 0 GHAAMN Cn1cccc1[C@H](CNC(=O)COc1ccc(Cl)cc1Cl)N1CCCC1 ZINC000011845703 205869347 /nfs/dbraw/zinc/86/93/47/205869347.db2.gz BKCCCWMADVRJAL-KRWDZBQOSA-N 0 1 396.318 3.664 50 0 GHAAMN C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N(C)Cc1ccc2ccccc2c1 ZINC000026857197 206006355 /nfs/dbraw/zinc/00/63/55/206006355.db2.gz XZIGYOCRYNLWCS-INIZCTEOSA-N 0 1 376.456 3.705 50 0 GHAAMN CCOc1ccccc1C1=CCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)CC1 ZINC000225520536 206054834 /nfs/dbraw/zinc/05/48/34/206054834.db2.gz AABQAXJSKSBEAF-UHFFFAOYSA-N 0 1 389.455 3.972 50 0 GHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096858 206114439 /nfs/dbraw/zinc/11/44/39/206114439.db2.gz AGKGATSWKDONGI-UHFFFAOYSA-N 0 1 382.851 3.809 50 0 GHAAMN CCN1C[C@H](NC(=O)c2cccc(-c3cccc(OC(C)C)c3)c2)[C@@H](OC)C1 ZINC000299787862 206189887 /nfs/dbraw/zinc/18/98/87/206189887.db2.gz SDHAQMVRJAZBKY-VXKWHMMOSA-N 0 1 382.504 3.590 50 0 GHAAMN Cc1cccc2nc([C@H]3CCCN(c4cc(C(=O)NC5CC5)ccn4)C3)[nH]c21 ZINC000096138689 136184321 /nfs/dbraw/zinc/18/43/21/136184321.db2.gz WKVZGDLFIXOUMX-INIZCTEOSA-N 0 1 375.476 3.543 50 0 GHAAMN COC(=O)c1ccc2nc(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000005658816 136195030 /nfs/dbraw/zinc/19/50/30/136195030.db2.gz BFKJUTLTRGUWMK-UHFFFAOYSA-N 0 1 377.444 3.910 50 0 GHAAMN CN(C)[C@H](CNC(=O)/C=C/c1ccccc1OC(F)F)c1cccc(F)c1 ZINC000032730222 522069718 /nfs/dbraw/zinc/06/97/18/522069718.db2.gz DDEIPKWVPOHMNH-SXSDINLZSA-N 0 1 378.394 3.859 50 0 GHAAMN c1c(CN2CCSCC2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000020211782 570248217 /nfs/dbraw/zinc/24/82/17/570248217.db2.gz IPXKTSKIXXIYTM-UHFFFAOYSA-N 0 1 393.512 3.876 50 0 GHAAMN COc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)C[C@H]2CCO)cc1C ZINC000104531073 570260141 /nfs/dbraw/zinc/26/01/41/570260141.db2.gz MYXCUYMCVKJICQ-JOCHJYFZSA-N 0 1 393.531 3.554 50 0 GHAAMN CN1CCN(CCOCCOc2ccc(Cl)cc2Cc2ccccc2)CC1 ZINC000020652761 570274174 /nfs/dbraw/zinc/27/41/74/570274174.db2.gz COTMTVAWAOBEQN-UHFFFAOYSA-N 0 1 388.939 3.574 50 0 GHAAMN COc1cc2c(cc1OC)CN(C[C@H](O)COc1cccc3ccccc31)CC2 ZINC000012904141 570289500 /nfs/dbraw/zinc/28/95/00/570289500.db2.gz XTMOHFIHFNGVFG-FQEVSTJZSA-N 0 1 393.483 3.655 50 0 GHAAMN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(CCc2ccccc2)CC1 ZINC000022930230 570336866 /nfs/dbraw/zinc/33/68/66/570336866.db2.gz RUPROVQJKZMOHV-INIZCTEOSA-N 0 1 389.902 3.666 50 0 GHAAMN Cc1ccccc1N1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000023109858 570344334 /nfs/dbraw/zinc/34/43/34/570344334.db2.gz CCCDORBWAPHSQK-QFIPXVFZSA-N 0 1 376.500 3.710 50 0 GHAAMN Cc1ccc(C(=O)Nc2cccc([C@H]3NC(=N)Nc4nc5ccccc5n43)c2)cc1 ZINC000004865053 570351157 /nfs/dbraw/zinc/35/11/57/570351157.db2.gz DPYQEUXTHYXTPL-FQEVSTJZSA-N 0 1 396.454 3.884 50 0 GHAAMN Cc1cccc(CN2CCN(Cn3nc(C4CC4)n(C4CC4)c3=S)CC2)c1 ZINC000023256936 570352665 /nfs/dbraw/zinc/35/26/65/570352665.db2.gz HEBDIYWBUFUAGU-UHFFFAOYSA-N 0 1 383.565 3.710 50 0 GHAAMN COc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1Br ZINC000013002283 570414182 /nfs/dbraw/zinc/41/41/82/570414182.db2.gz FMHAECSAYYGUCD-ZDUSSCGKSA-N 0 1 383.311 3.552 50 0 GHAAMN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000240333259 570430634 /nfs/dbraw/zinc/43/06/34/570430634.db2.gz FCMQHASXPSSXFU-JEBQAFNWSA-N 0 1 388.899 3.926 50 0 GHAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCCC[C@H]1C ZINC000245327244 570435640 /nfs/dbraw/zinc/43/56/40/570435640.db2.gz NSBQCKQJQJLXKJ-KGLIPLIRSA-N 0 1 387.480 3.555 50 0 GHAAMN Cn1cccc1[C@@H](CNC(=O)COc1ccc(Cl)cc1Cl)N1CCCC1 ZINC000011845702 570437675 /nfs/dbraw/zinc/43/76/75/570437675.db2.gz BKCCCWMADVRJAL-QGZVFWFLSA-N 0 1 396.318 3.664 50 0 GHAAMN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N(C)C)cc1 ZINC000028290322 570455573 /nfs/dbraw/zinc/45/55/73/570455573.db2.gz XZYBFVMVKGYQLV-IBGZPJMESA-N 0 1 378.472 3.751 50 0 GHAAMN CCc1ccc2oc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc(=O)c2c1 ZINC000028293006 570457118 /nfs/dbraw/zinc/45/71/18/570457118.db2.gz FCJDGCZDYBEGIP-HXUWFJFHSA-N 0 1 390.483 3.922 50 0 GHAAMN Cc1ccc(-n2ncc3c2ncnc3N2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000054323082 570496795 /nfs/dbraw/zinc/49/67/95/570496795.db2.gz AOUZOFSBYYEANY-UHFFFAOYSA-N 0 1 398.514 3.755 50 0 GHAAMN Cc1ccc(S(=O)(=O)NCCN(C)[C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000072305242 570518419 /nfs/dbraw/zinc/51/84/19/570518419.db2.gz NJTKGNGCBLJNOR-HNNXBMFYSA-N 0 1 398.475 3.568 50 0 GHAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000008513249 570681152 /nfs/dbraw/zinc/68/11/52/570681152.db2.gz YWJKXYWSJBNCPR-UHFFFAOYSA-N 0 1 379.367 3.616 50 0 GHAAMN C[C@H](COc1ccccc1)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012579063 570683285 /nfs/dbraw/zinc/68/32/85/570683285.db2.gz PJCZZVUCYVRFCC-OAHLLOKOSA-N 0 1 378.428 3.896 50 0 GHAAMN COc1ccc(CN(C)C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1OC ZINC000012631107 570693288 /nfs/dbraw/zinc/69/32/88/570693288.db2.gz YVGHUTMWAOKEAB-UHFFFAOYSA-N 0 1 385.489 3.639 50 0 GHAAMN CCCCCCn1c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000017198157 570702159 /nfs/dbraw/zinc/70/21/59/570702159.db2.gz IIELFSNHXNFQIU-GOSISDBHSA-N 0 1 398.532 3.908 50 0 biogenic GHAAMN COc1cc(CN2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)cc(OC)c1 ZINC000012716350 570704272 /nfs/dbraw/zinc/70/42/72/570704272.db2.gz KDBNLRTYARXGHV-GOSISDBHSA-N 0 1 399.487 3.816 50 0 GHAAMN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCN(C)CC2)cc1 ZINC000000934801 570727382 /nfs/dbraw/zinc/72/73/82/570727382.db2.gz BTIQMISUSDDOHP-HXUWFJFHSA-N 0 1 393.487 3.669 50 0 GHAAMN Cc1ccc(N(C(=O)c2ccco2)[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000004387935 570732129 /nfs/dbraw/zinc/73/21/29/570732129.db2.gz AEUKKKZPHLPQCY-IBGZPJMESA-N 0 1 388.423 3.875 50 0 GHAAMN Cc1ccc(N(C(=O)c2ccco2)C2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000004387935 570732133 /nfs/dbraw/zinc/73/21/33/570732133.db2.gz AEUKKKZPHLPQCY-IBGZPJMESA-N 0 1 388.423 3.875 50 0 GHAAMN Cc1cc2oc(-c3ccc4c(c3)OCO4)c(-c3c(O)cc(C)oc3=O)c2c(=O)o1 ZINC000524729822 570764188 /nfs/dbraw/zinc/76/41/88/570764188.db2.gz KUQFDZIUTCZCCQ-UHFFFAOYSA-N 0 1 394.335 3.724 50 0 biogenic GHAAMN COc1ccccc1NC(=O)c1ccc(NC(=O)CNCc2cccs2)cc1 ZINC000013778056 570789817 /nfs/dbraw/zinc/78/98/17/570789817.db2.gz FBVQTVSMVZACDI-UHFFFAOYSA-N 0 1 395.484 3.737 50 0 GHAAMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000014093333 570821872 /nfs/dbraw/zinc/82/18/72/570821872.db2.gz IRJMAXXHPNBLCF-FQEVSTJZSA-N 0 1 386.499 3.754 50 0 GHAAMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012536040 570835850 /nfs/dbraw/zinc/83/58/50/570835850.db2.gz IORNBWDVDMFRHJ-UHFFFAOYSA-N 0 1 393.770 3.946 50 0 GHAAMN C[C@H](c1ccccc1)N1CC[C@@](F)(COC(=O)c2cccc(NC(N)=O)c2)C1 ZINC000170595881 570853123 /nfs/dbraw/zinc/85/31/23/570853123.db2.gz OBFRVFOZJFNUGZ-VFNWGFHPSA-N 0 1 385.439 3.509 50 0 GHAAMN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C[C@H](O)COC(C)(C)C)CC2 ZINC000103357628 570881546 /nfs/dbraw/zinc/88/15/46/570881546.db2.gz KTNAMCPZFFKBAY-WMZHIEFXSA-N 0 1 399.531 3.827 50 0 GHAAMN Cc1ccc(OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023115073 570908536 /nfs/dbraw/zinc/90/85/36/570908536.db2.gz XPTPHCWVFYDMLF-LJQANCHMSA-N 0 1 394.437 3.576 50 0 GHAAMN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3SC(F)(F)F)cc2o1 ZINC000032932349 570945248 /nfs/dbraw/zinc/94/52/48/570945248.db2.gz LRFJYZUBWGJVOJ-UHFFFAOYSA-N 0 1 390.364 3.946 50 0 GHAAMN CN(C)C(=O)N1CCC(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)CC1 ZINC000252491992 570973927 /nfs/dbraw/zinc/97/39/27/570973927.db2.gz MATCYYIXOFASQV-UHFFFAOYSA-N 0 1 391.475 3.562 50 0 GHAAMN O=C(c1ccc(CN2CCCCC2)o1)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000033327065 570981198 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C[C@@H](c1ccc(C(=O)NCc2noc(-c3ccccc3)n2)o1)N1CCCCC1 ZINC000584890894 841173770 /nfs/dbraw/zinc/17/37/70/841173770.db2.gz WBSZCJMZCUHULR-HNNXBMFYSA-N 0 1 380.448 3.807 50 0 GHAAMN Cc1cc2oc(-c3ccc4c(c3)CCO4)c(-c3c(O)cc(C)oc3=O)c2c(=O)o1 ZINC000888089281 843629099 /nfs/dbraw/zinc/62/90/99/843629099.db2.gz SFXZOSDPJYTIRN-UHFFFAOYSA-N 0 1 392.363 3.931 50 0 GHAAMN O=C(Cc1cccc(OCc2ccc(Cl)cc2)c1)NC1(c2nnc[nH]2)CCC1 ZINC000194277323 846167581 /nfs/dbraw/zinc/16/75/81/846167581.db2.gz NUPJSQAZXNFMJX-UHFFFAOYSA-N 0 1 396.878 3.775 50 0 GHAAMN CCn1cc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)c2ccccc21 ZINC000022913561 846764667 /nfs/dbraw/zinc/76/46/67/846764667.db2.gz UAHVPWKJJQAKJM-FQEVSTJZSA-N 0 1 381.520 3.631 50 0 GHAAMN Cc1ccc(-c2nc3n(n2)C(CC(=O)Nc2cccc4ccccc42)C(=O)N3)cc1 ZINC000031816965 862702951 /nfs/dbraw/zinc/70/29/51/862702951.db2.gz CAPUYTWUAFPYQJ-IBGZPJMESA-N 0 1 397.438 3.929 50 0 GHAAMN COc1c2c(cc3c1[C@H](C[C@@H](OC(C)=O)c1ccccc1)N(C)CC3)OCO2 ZINC000004029530 862722957 /nfs/dbraw/zinc/72/29/57/862722957.db2.gz HOJWQTIDNXZUOL-ZWKOTPCHSA-N 0 1 383.444 3.647 50 0 biogenic GHAAMN O=S(=O)(CCc1ccccc1)NC[C@@H](c1ccsc1)N1CCCCCC1 ZINC000008901474 856641179 /nfs/dbraw/zinc/64/11/79/856641179.db2.gz UYUAVHWZMHDIKG-FQEVSTJZSA-N 0 1 392.590 3.827 50 0 GHAAMN Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccccc3C)c(O)c12 ZINC000004316380 862955700 /nfs/dbraw/zinc/95/57/00/862955700.db2.gz FORPJLAKWWRILX-UHFFFAOYSA-N 0 1 376.391 3.722 50 0 GHAAMN COc1ccc(OC)c(CN2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)c1 ZINC000012319851 859195829 /nfs/dbraw/zinc/19/58/29/859195829.db2.gz OTUVONNIRHTJTJ-GOSISDBHSA-N 0 1 386.492 3.798 50 0 GHAAMN COc1c(C)cc(C)cc1S(=O)(=O)N(c1ccccc1)C1CCN(C)CC1 ZINC000509254651 859458863 /nfs/dbraw/zinc/45/88/63/859458863.db2.gz MWNGOKMXXWZUJM-UHFFFAOYSA-N 0 1 388.533 3.602 50 0 GHAAMN Cc1cccc2nc(CN[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)cc(=O)n12 ZINC000012994401 859718021 /nfs/dbraw/zinc/71/80/21/859718021.db2.gz WBYKJJORGVYTHA-HSZRJFAPSA-N 0 1 393.487 3.651 50 0 GHAAMN CC(=O)N1CCC([C@@H]2CCN(Cc3cc(Br)ccc3F)C2)CC1 ZINC000169781507 859777413 /nfs/dbraw/zinc/77/74/13/859777413.db2.gz XUNUSIWQQOJOLH-OAHLLOKOSA-N 0 1 383.305 3.669 50 0 GHAAMN O[C@@H](CSc1cccc(Cl)c1)CN1CCN(c2ccc(F)cc2)CC1 ZINC000020384993 860560258 /nfs/dbraw/zinc/56/02/58/860560258.db2.gz UVVMYVPNDSABCH-GOSISDBHSA-N 0 1 380.916 3.754 50 0 GHAAMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc3nc(CC(C)C)[nH]c3c2)n[nH]1 ZINC000095473816 860598502 /nfs/dbraw/zinc/59/85/02/860598502.db2.gz KKCROKCTBITCST-UHFFFAOYSA-N 0 1 391.479 3.754 50 0 GHAAMN CCCn1c(CN2CCN(CC)CC2)nc2cc(NC(=O)CC(C)C)ccc21 ZINC000020677980 860629641 /nfs/dbraw/zinc/62/96/41/860629641.db2.gz FOHPHGFFOJKMGS-UHFFFAOYSA-N 0 1 385.556 3.568 50 0 GHAAMN CN(C)Cc1ccnc(NC(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)c1 ZINC000095963631 860722657 /nfs/dbraw/zinc/72/26/57/860722657.db2.gz MSKPAFWGJYSTDZ-UHFFFAOYSA-N 0 1 390.274 3.888 50 0 GHAAMN O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000095983105 860733136 /nfs/dbraw/zinc/73/31/36/860733136.db2.gz CIJZOBAUXLPQKQ-HNNXBMFYSA-N 0 1 395.286 3.929 50 0 GHAAMN O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000095983105 860733139 /nfs/dbraw/zinc/73/31/39/860733139.db2.gz CIJZOBAUXLPQKQ-HNNXBMFYSA-N 0 1 395.286 3.929 50 0 GHAAMN COC(=O)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)cc1 ZINC000096323500 860879612 /nfs/dbraw/zinc/87/96/12/860879612.db2.gz GPYWUQOVMLJSPX-UHFFFAOYSA-N 0 1 392.458 3.607 50 0 GHAAMN Cc1[nH]c(-c2nnc(C3CC3)o2)c(C)c1S(=O)(=O)Nc1cccc(C)c1C ZINC000096379470 860906990 /nfs/dbraw/zinc/90/69/90/860906990.db2.gz SYEAMLPDYKGZTM-UHFFFAOYSA-N 0 1 386.477 3.977 50 0 GHAAMN Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000096379748 860908800 /nfs/dbraw/zinc/90/88/00/860908800.db2.gz ITZLWPWDFYXZIZ-UHFFFAOYSA-N 0 1 380.857 3.753 50 0 GHAAMN O=C(Cc1cccs1)NC[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000827855713 865138257 /nfs/dbraw/zinc/13/82/57/865138257.db2.gz XYJMWSHTSKZANH-GOSISDBHSA-N 0 1 394.544 3.505 50 0 GHAAMN O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000828013110 865170174 /nfs/dbraw/zinc/17/01/74/865170174.db2.gz RKVWDBCPRVKOLE-HXUWFJFHSA-N 0 1 391.515 3.977 50 0 GHAAMN Cc1cc(C(=O)N2CCC3(CC2)C[C@@H](CCOCc2ccccc2)CCO3)n[nH]1 ZINC000581811722 870020364 /nfs/dbraw/zinc/02/03/64/870020364.db2.gz MMOOUHYARFAZIT-IBGZPJMESA-N 0 1 397.519 3.726 50 0 GHAAMN Cc1cnc(C2CCOCC2)n1[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000581805963 870028010 /nfs/dbraw/zinc/02/80/10/870028010.db2.gz JGNMQSJAAYYZKZ-FQEVSTJZSA-N 0 1 385.483 3.631 50 0 GHAAMN Cc1cnc(C2CCOCC2)n1C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000581808819 870040659 /nfs/dbraw/zinc/04/06/59/870040659.db2.gz PQXXQSKZQWZGTE-UHFFFAOYSA-N 0 1 382.508 3.632 50 0 GHAAMN Cc1nc([C@@H](NC(=O)Nc2ccccc2OCC2CC2)c2ccccc2)n[nH]1 ZINC000152575711 879394093 /nfs/dbraw/zinc/39/40/93/879394093.db2.gz BBYLAVGCSOZZFN-IBGZPJMESA-N 0 1 377.448 3.813 50 0 GHAAMN Cc1nc(-c2cc3c(s2)CCN(C[C@H](O)COCc2ccco2)C3)cs1 ZINC000180876374 879438952 /nfs/dbraw/zinc/43/89/52/879438952.db2.gz ZLPPEZCIFJDLJQ-HNNXBMFYSA-N 0 1 390.530 3.709 50 0 GHAAMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000263509693 885030324 /nfs/dbraw/zinc/03/03/24/885030324.db2.gz XDWGEILXXSNMQW-SFHVURJKSA-N 0 1 397.475 3.882 50 0 GHAAMN O=C(Cc1cc(F)c(F)cc1F)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1 ZINC000095480749 913494748 /nfs/dbraw/zinc/49/47/48/913494748.db2.gz UYBMUGAXMGSCJU-UHFFFAOYSA-N 0 1 399.376 3.670 50 0 GHAAMN O=C(Cc1cc(F)c(F)cc1F)Nc1nc(CCc2c[nH]c3ccccc23)n[nH]1 ZINC000095480749 913494759 /nfs/dbraw/zinc/49/47/59/913494759.db2.gz UYBMUGAXMGSCJU-UHFFFAOYSA-N 0 1 399.376 3.670 50 0 GHAAMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000263487864 892574093 /nfs/dbraw/zinc/57/40/93/892574093.db2.gz NKZFNDDYCHZRHI-GOSISDBHSA-N 0 1 381.476 3.756 50 0 GHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000008484051 895073940 /nfs/dbraw/zinc/07/39/40/895073940.db2.gz OCDGPKYYNWJQJR-UHFFFAOYSA-N 0 1 381.457 3.780 50 0 GHAAMN CCc1nnc(-c2[nH]c(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2C)o1 ZINC000096379419 914443047 /nfs/dbraw/zinc/44/30/47/914443047.db2.gz KLNXYGBGMYDTBJ-UHFFFAOYSA-N 0 1 380.857 3.698 50 0 GHAAMN C[N@H+]1CCC[C@@H](CNC(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000630341109 903027135 /nfs/dbraw/zinc/02/71/35/903027135.db2.gz HHWLYOHTMMGLGP-UNMCSNQZSA-N 0 1 380.488 3.517 50 0 GHAAMN O=C(Nc1ccc(N2CCCC2)c2ncccc12)c1ccccc1-c1nnc[nH]1 ZINC000952970142 904647131 /nfs/dbraw/zinc/64/71/31/904647131.db2.gz QQZWDFKBNISLDN-UHFFFAOYSA-N 0 1 384.443 3.872 50 0 GHAAMN Cc1ccc2nc(CCCNC(=O)[C@@H](c3ccccc3C)N(C)C)[nH]c2c1C ZINC000952985411 904671507 /nfs/dbraw/zinc/67/15/07/904671507.db2.gz AGRAMVVNYSCMLX-JOCHJYFZSA-N 0 1 378.520 3.840 50 0 GHAAMN Cc1cccn2c(CN3CCC[C@H](CNC(=O)Nc4cccc(F)c4)C3)cnc12 ZINC000092709002 911725992 /nfs/dbraw/zinc/72/59/92/911725992.db2.gz BSRROKBRYAARFA-QGZVFWFLSA-N 0 1 395.482 3.816 50 0 GHAAMN Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NCc1cnc(N(C)C)s1 ZINC000039467339 919711569 /nfs/dbraw/zinc/71/15/69/919711569.db2.gz RSRVWAHBQSGNKM-CQSZACIVSA-N 0 1 388.585 3.927 50 0 GHAAMN CN1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cccc(F)c2)CC1 ZINC000000959119 203869601 /nfs/dbraw/zinc/86/96/01/203869601.db2.gz BOCCGVCABZZCHS-UHFFFAOYSA-N 0 1 381.373 3.849 50 0 GHAAMN OC(c1n[nH]c(=S)n1-c1ccc(F)cc1)(c1ccccc1)c1ccccc1 ZINC000004299826 204037079 /nfs/dbraw/zinc/03/70/79/204037079.db2.gz NKHVLKTZMSQVQL-UHFFFAOYSA-N 0 1 377.444 3.979 50 0 GHAAMN COc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000004033234 204023441 /nfs/dbraw/zinc/02/34/41/204023441.db2.gz RLVSPRHNELICEJ-UHFFFAOYSA-N 0 1 394.456 3.514 50 0 GHAAMN COCCNC(=O)CSc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000004927757 204092456 /nfs/dbraw/zinc/09/24/56/204092456.db2.gz ZXIYGWWSJMSQEI-UHFFFAOYSA-N 0 1 385.464 3.738 50 0 GHAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000004556141 204052988 /nfs/dbraw/zinc/05/29/88/204052988.db2.gz ZXTUDZMGYCYUNA-INIZCTEOSA-N 0 1 391.880 3.937 50 0 GHAAMN 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CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc(C4CCCC4)n[nH]3)ccc21 ZINC000012552544 570856321 /nfs/dbraw/zinc/85/63/21/570856321.db2.gz MHUPVKCXUGDSRE-LBPRGKRZSA-N 0 1 384.505 3.735 50 0 GHAAMN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3n[nH]c(C4CCCC4)n3)ccc21 ZINC000012552544 570856323 /nfs/dbraw/zinc/85/63/23/570856323.db2.gz MHUPVKCXUGDSRE-LBPRGKRZSA-N 0 1 384.505 3.735 50 0 GHAAMN COc1cc([C@@H](C)NC(=O)[C@@H](N)c2ccccc2)ccc1OCc1ccncc1 ZINC000170599528 570857811 /nfs/dbraw/zinc/85/78/11/570857811.db2.gz JZCZLNIKJMTVOF-ZHRRBRCNSA-N 0 1 391.471 3.546 50 0 GHAAMN COc1ccc([C@@H](CC(=O)N2CCN(CC3CC3)CC2)c2ccccc2)cc1 ZINC000015070262 570876754 /nfs/dbraw/zinc/87/67/54/570876754.db2.gz ZDMKAQDTUKJHOU-QHCPKHFHSA-N 0 1 378.516 3.771 50 0 GHAAMN O=C([C@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000012578480 570876755 /nfs/dbraw/zinc/87/67/55/570876755.db2.gz PCWMSKBMADUVAS-OFNKIYASSA-N 0 1 392.499 3.958 50 0 GHAAMN CC(C)c1noc2ncc(C(=O)NC3CCN([C@H](C)c4ccncc4)CC3)cc21 ZINC000155646020 570914461 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Cc1ccc(CN2CCN(Cc3ccc4cccc(F)c4n3)C[C@@H]2CCO)cc1 ZINC000091506130 571012258 /nfs/dbraw/zinc/01/22/58/571012258.db2.gz BTNFPYCRXWXGRT-QFIPXVFZSA-N 0 1 393.506 3.751 50 0 GHAAMN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C2CCSCC2)CC1 ZINC000091547534 571013701 /nfs/dbraw/zinc/01/37/01/571013701.db2.gz BXNPOUMAUMGNCI-QGZVFWFLSA-N 0 1 384.545 3.647 50 0 GHAAMN C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C2CCSCC2)CC1 ZINC000091547532 571013827 /nfs/dbraw/zinc/01/38/27/571013827.db2.gz BXNPOUMAUMGNCI-KRWDZBQOSA-N 0 1 384.545 3.647 50 0 GHAAMN O=C1CCC2(CCN(Cc3cc(F)ccc3Cl)CC2)CN1C[C@@H]1CCCO1 ZINC000091780872 571030258 /nfs/dbraw/zinc/03/02/58/571030258.db2.gz DUMKRYULCOLARG-SFHVURJKSA-N 0 1 394.918 3.863 50 0 GHAAMN O=C([O-])[C@@H](c1cccc2ccccc21)[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC000095387309 571070786 /nfs/dbraw/zinc/07/07/86/571070786.db2.gz ZNHBYVZWCUETOS-JOCHJYFZSA-N 0 1 375.472 3.568 50 0 GHAAMN Cc1cc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)on1 ZINC000095499221 571075340 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CN(C)C(=O)Sc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000057785016 862243883 /nfs/dbraw/zinc/24/38/83/862243883.db2.gz CEQKAUAAOFRYSL-UHFFFAOYSA-N 0 1 376.503 3.750 50 0 GHAAMN Fc1ccc(-n2cc(CNCc3c[nH]nc3-c3ccc(F)cc3F)cn2)cc1 ZINC000012447567 862397756 /nfs/dbraw/zinc/39/77/56/862397756.db2.gz PPELUXJXNOYYPS-UHFFFAOYSA-N 0 1 383.377 3.970 50 0 GHAAMN Clc1ccc(Cl)c(OCCN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000171622868 853479345 /nfs/dbraw/zinc/47/93/45/853479345.db2.gz PITCBTPJHKSCDM-CYBMUJFWSA-N 0 1 381.307 3.790 50 0 GHAAMN Cc1ccc(-c2nc3n(n2)C(CC(=O)Nc2ccc(F)c(Cl)c2)C(=O)N3)cc1 ZINC000031814796 862702462 /nfs/dbraw/zinc/70/24/62/862702462.db2.gz RVYOHKRLGGYZSV-OAHLLOKOSA-N 0 1 399.813 3.568 50 0 GHAAMN CCCCCCn1c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000004087102 862770028 /nfs/dbraw/zinc/77/00/28/862770028.db2.gz YUXYOJPATKKSCS-GOSISDBHSA-N 0 1 398.532 3.908 50 0 biogenic GHAAMN COc1ccc([C@@H]2CCCN2[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000245237012 856758165 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/nfs/dbraw/zinc/89/64/35/870896435.db2.gz LZUMKAOJWQJAAU-INIZCTEOSA-N 0 1 378.480 3.646 50 0 GHAAMN C[C@@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000023181306 873860866 /nfs/dbraw/zinc/86/08/66/873860866.db2.gz OOMVDFNULQLWSE-ONWOKCAKSA-N 0 1 384.442 3.723 50 0 GHAAMN O=C(c1ccc(Oc2ccccc2)o1)N1CCc2nc[nH]c2[C@H]1c1cccnc1 ZINC000952979614 904659255 /nfs/dbraw/zinc/65/92/55/904659255.db2.gz QQUNCVCCFXOKSG-OAQYLSRUSA-N 0 1 386.411 3.978 50 0 GHAAMN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+]Nc1ccc(C(=O)[O-])cc1 ZINC000254576761 916827606 /nfs/dbraw/zinc/82/76/06/916827606.db2.gz BJCVLCPSLJVCNX-UHFFFAOYSA-N 0 1 389.459 3.925 50 0 GHAAMN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1-c1ccccc1C(=O)[O-])C2 ZINC000887557531 930638973 /nfs/dbraw/zinc/63/89/73/930638973.db2.gz SPKYKBRUGCOUES-QHCPKHFHSA-N 0 1 378.472 3.610 50 0 GHAAMN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000004032049 204024034 /nfs/dbraw/zinc/02/40/34/204024034.db2.gz XGLZVVKKWCDLKR-INIZCTEOSA-N 0 1 376.865 3.956 50 0 GHAAMN COc1ccc2nc(SCc3nc4ccc(Cl)cc4n3CCO)[nH]c2c1 ZINC000004246941 204034025 /nfs/dbraw/zinc/03/40/25/204034025.db2.gz AHAVXVYSIGLFGT-UHFFFAOYSA-N 0 1 388.880 3.859 50 0 GHAAMN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCCC[C@@H]1C ZINC000004871411 204084843 /nfs/dbraw/zinc/08/48/43/204084843.db2.gz NSBQCKQJQJLXKJ-KBPBESRZSA-N 0 1 387.480 3.555 50 0 GHAAMN COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(Cl)cc1 ZINC000005343996 204127368 /nfs/dbraw/zinc/12/73/68/204127368.db2.gz OQZIEEHFTSULOX-LJQANCHMSA-N 0 1 383.835 3.627 50 0 GHAAMN CCC(CC)NC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000005864606 204153874 /nfs/dbraw/zinc/15/38/74/204153874.db2.gz WZSAWHYGAGAOSA-UHFFFAOYSA-N 0 1 383.315 3.631 50 0 GHAAMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OC(F)F ZINC000005952744 204158892 /nfs/dbraw/zinc/15/88/92/204158892.db2.gz WLCNBFHQUWVKNC-QGZVFWFLSA-N 0 1 388.370 3.616 50 0 GHAAMN CCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@H]1c1ccc(O)c(OCC)c1 ZINC000006752929 204201325 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/nfs/dbraw/zinc/01/15/30/205011530.db2.gz DTRKMUSQDMPYAK-NRFANRHFSA-N 0 1 383.467 3.852 50 0 GHAAMN COc1ccc(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)cc1OC ZINC000036356893 205014892 /nfs/dbraw/zinc/01/48/92/205014892.db2.gz MQFIQYKQANEQIF-UHFFFAOYSA-N 0 1 379.338 3.780 50 0 GHAAMN CCN1CCN(c2nc(-c3ccc(Br)cc3)cc(C(F)F)n2)CC1 ZINC000036618597 205019415 /nfs/dbraw/zinc/01/94/15/205019415.db2.gz FDQDDJGVQIZOPB-UHFFFAOYSA-N 0 1 397.267 3.986 50 0 GHAAMN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 ZINC000040153888 205060259 /nfs/dbraw/zinc/06/02/59/205060259.db2.gz QZCNRVRKAXRSIZ-UGSOOPFHSA-N 0 1 391.562 3.606 50 0 GHAAMN NC(=O)c1cccc(CN2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)c1 ZINC000084569097 205097753 /nfs/dbraw/zinc/09/77/53/205097753.db2.gz AITZKMGYSIPQTI-IBGZPJMESA-N 0 1 388.471 3.605 50 0 GHAAMN Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2cc(Cl)cc(Cl)c2)o1 ZINC000048343443 205120474 /nfs/dbraw/zinc/12/04/74/205120474.db2.gz VBSYPKGLUBXWHT-UHFFFAOYSA-N 0 1 391.320 3.647 50 0 GHAAMN Cc1cc(C)c(Cn2cncn2)cc1CN(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055154272 205142895 /nfs/dbraw/zinc/14/28/95/205142895.db2.gz ARQQBZDBBXZZFC-HSZRJFAPSA-N 0 1 391.519 3.519 50 0 GHAAMN CCOC(=O)c1cccc(NC(=O)c2cc(-c3ccc(OCC)cc3)n[nH]2)c1 ZINC000051315451 205131092 /nfs/dbraw/zinc/13/10/92/205131092.db2.gz VQEMSJAKCMUWKS-UHFFFAOYSA-N 0 1 379.416 3.904 50 0 GHAAMN Cc1nc([C@@H](NC(=O)c2ccc(F)cc2Br)c2ccccc2)n[nH]1 ZINC000057797545 205160843 /nfs/dbraw/zinc/16/08/43/205160843.db2.gz LNNMSSJVDOZONA-HNNXBMFYSA-N 0 1 389.228 3.534 50 0 GHAAMN Cc1nc([C@@H](NC(=O)c2cc(-c3cccc(Cl)c3)on2)c2ccccc2)n[nH]1 ZINC000057796391 205161413 /nfs/dbraw/zinc/16/14/13/205161413.db2.gz MJBSYAXPEFRTTN-SFHVURJKSA-N 0 1 393.834 3.941 50 0 GHAAMN COC(=O)c1ccc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)nn1 ZINC000058015455 205163442 /nfs/dbraw/zinc/16/34/42/205163442.db2.gz JRGYSOJZBWOGFL-GOSISDBHSA-N 0 1 394.500 3.536 50 0 GHAAMN Cc1ccc([C@@H](CNC(=O)Cc2ccc(Br)cc2)N2CCCC2)o1 ZINC000058415728 205175050 /nfs/dbraw/zinc/17/50/50/205175050.db2.gz NFUIBTIQNYZSNW-QGZVFWFLSA-N 0 1 391.309 3.846 50 0 GHAAMN CCOC(=O)c1c(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c(C)n1C ZINC000064863105 205198114 /nfs/dbraw/zinc/19/81/14/205198114.db2.gz PYPNRKOGLODUKK-UHFFFAOYSA-N 0 1 384.885 3.581 50 0 GHAAMN Cc1nn(C)c(Cl)c1CN[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000067821234 205262001 /nfs/dbraw/zinc/26/20/01/205262001.db2.gz ARIUEYVWMCFGAN-ZDUSSCGKSA-N 0 1 375.929 3.750 50 0 GHAAMN CCCn1nccc1C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000067818574 205262891 /nfs/dbraw/zinc/26/28/91/205262891.db2.gz VWWYWNIFTPNZSO-MRXNPFEDSA-N 0 1 381.455 3.842 50 0 GHAAMN O=C([O-])c1n[nH]cc1C[N@H+]1CC[C@H](c2ccnc(-c3cc4ccccc4o3)c2)C1 ZINC000067983408 205271146 /nfs/dbraw/zinc/27/11/46/205271146.db2.gz LCHSXCXWZMWWLK-INIZCTEOSA-N 0 1 388.427 3.906 50 0 GHAAMN CCCn1nccc1C(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071479430 205285804 /nfs/dbraw/zinc/28/58/04/205285804.db2.gz QHTMOXLTPDOBLB-NRFANRHFSA-N 0 1 386.515 3.805 50 0 GHAAMN CC(C)c1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)on1 ZINC000072130940 205306719 /nfs/dbraw/zinc/30/67/19/205306719.db2.gz PYPNSXMWLZIJDN-IOMROCGXSA-N 0 1 383.467 3.640 50 0 GHAAMN CC(C)(C)c1[nH]nc(-c2nn3c(nnc3C3CCC3)s2)c1Br ZINC000072403420 205345519 /nfs/dbraw/zinc/34/55/19/205345519.db2.gz GKYZKQOSNISHTD-UHFFFAOYSA-N 0 1 381.303 3.903 50 0 GHAAMN CC(C)n1cncc1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2ccccc2)C1 ZINC000072411307 205347672 /nfs/dbraw/zinc/34/76/72/205347672.db2.gz HXFGYAQLQXMEME-RBBKRZOGSA-N 0 1 380.536 3.520 50 0 GHAAMN Cc1cc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)nc(C)n1 ZINC000077516008 205363881 /nfs/dbraw/zinc/36/38/81/205363881.db2.gz AYTNFPIIDPFNLR-UHFFFAOYSA-N 0 1 379.439 3.642 50 0 GHAAMN COc1ccccc1[C@@H](CNC(=O)c1ccccc1OC(F)F)N1CCCC1 ZINC000027572587 206015373 /nfs/dbraw/zinc/01/53/73/206015373.db2.gz LYYFCEBSVAINCI-QGZVFWFLSA-N 0 1 390.430 3.864 50 0 GHAAMN O=S(=O)(Nc1ccc2n[nH]cc2c1)c1cc(Cl)ccc1Br ZINC000225478177 206051876 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CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019848481 519041474 /nfs/dbraw/zinc/04/14/74/519041474.db2.gz VQWBNESCKBUGTG-QFIPXVFZSA-N 0 1 382.548 3.542 50 0 GHAAMN O=C(COc1ccccc1F)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000005937347 526993121 /nfs/dbraw/zinc/99/31/21/526993121.db2.gz FOZBPJROCHGKSO-UHFFFAOYSA-N 0 1 392.843 3.907 50 0 GHAAMN CCCCCC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000089953350 534970510 /nfs/dbraw/zinc/97/05/10/534970510.db2.gz SXBRMJDDSJSMJS-UHFFFAOYSA-N 0 1 385.474 3.914 50 0 GHAAMN COc1cccc(-c2ccc3nc(CO)[nH]c3c2)c1C(=O)N(C(C)C)C(C)C ZINC000096131715 570211233 /nfs/dbraw/zinc/21/12/33/570211233.db2.gz XSSMDPHVHFZBGM-UHFFFAOYSA-N 0 1 381.476 3.990 50 0 GHAAMN COc1ccc(CN2CCN(Cc3cc4ccccc4o3)C[C@@H]2CCO)cc1C ZINC000019837566 570224171 /nfs/dbraw/zinc/22/41/71/570224171.db2.gz OXSAXGFIKJIDAD-NRFANRHFSA-N 0 1 394.515 3.819 50 0 GHAAMN CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CN(CC)CC ZINC000000862843 570227235 /nfs/dbraw/zinc/22/72/35/570227235.db2.gz 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ZINC000012937110 570312282 /nfs/dbraw/zinc/31/22/82/570312282.db2.gz XJTLVNAMTPLJPL-NRFANRHFSA-N 0 1 377.488 3.800 50 0 GHAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000220725978 570325395 /nfs/dbraw/zinc/32/53/95/570325395.db2.gz DCTCFOAQPPIZJY-ZDUSSCGKSA-N 0 1 395.438 3.571 50 0 GHAAMN O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccc(Cl)cc1Cl ZINC000022912599 570333780 /nfs/dbraw/zinc/33/37/80/570333780.db2.gz FSCJSNORWCQKDY-UHFFFAOYSA-N 0 1 392.330 3.792 50 0 GHAAMN O[C@@H](COCc1ccccc1)CN1CCN(Cc2csc3ccccc23)CC1 ZINC000022932013 570337199 /nfs/dbraw/zinc/33/71/99/570337199.db2.gz NTGAZQKHAKIKRJ-OAQYLSRUSA-N 0 1 396.556 3.597 50 0 GHAAMN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(C)=O)N(Cc1ccccc1C)CC2 ZINC000034855480 570341618 /nfs/dbraw/zinc/34/16/18/570341618.db2.gz JELXTBQTVQDFGD-MWTRTKDXSA-N 0 1 382.504 3.636 50 0 GHAAMN CC[C@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(C)cc1 ZINC000024989217 570342457 /nfs/dbraw/zinc/34/24/57/570342457.db2.gz ROGHNNQHLSGVAF-IRLDBZIGSA-N 0 1 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CC(C)Cn1nc(C(=O)NC2CCCC2)c2c1CCN(CCc1ccccc1)C2 ZINC000014542805 207023410 /nfs/dbraw/zinc/02/34/10/207023410.db2.gz XPGKILSCZAPMLW-UHFFFAOYSA-N 0 1 394.563 3.812 50 0 GHAAMN O=C(CCC1CCN(Cc2nc3ccccc3s2)CC1)NC[C@@H]1CCCO1 ZINC000015070098 207045458 /nfs/dbraw/zinc/04/54/58/207045458.db2.gz XJZUMCGQSKKJNM-KRWDZBQOSA-N 0 1 387.549 3.584 50 0 GHAAMN COC(=O)c1ccc(-c2nc(CN(CC3CC3)C[C@@H]3CCCO3)c(C)o2)cc1 ZINC000015077615 207047187 /nfs/dbraw/zinc/04/71/87/207047187.db2.gz PFUXOLBJGNOJDW-IBGZPJMESA-N 0 1 384.476 3.828 50 0 GHAAMN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2Cc2cnc(C)[nH]2)cc1 ZINC000015071478 207044327 /nfs/dbraw/zinc/04/43/27/207044327.db2.gz XSEKRZVSRWPKGJ-QFIPXVFZSA-N 0 1 390.487 3.997 50 0 GHAAMN COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)n[nH]2)cc1 ZINC000015679236 207055447 /nfs/dbraw/zinc/05/54/47/207055447.db2.gz CVDGNRMEAXJZED-UHFFFAOYSA-N 0 1 396.878 3.701 50 0 GHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)n[nH]2)cc1C ZINC000015726006 207057468 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/nfs/dbraw/zinc/97/43/24/570974324.db2.gz VVTJLUYIGMNWRI-NZSAHSFTSA-N 0 1 382.508 3.971 50 0 GHAAMN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000107507949 570974327 /nfs/dbraw/zinc/97/43/27/570974327.db2.gz VVTJLUYIGMNWRI-NZSAHSFTSA-N 0 1 382.508 3.971 50 0 GHAAMN COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(OC)cc1OC ZINC000004679302 570994268 /nfs/dbraw/zinc/99/42/68/570994268.db2.gz WVQSANRWKOSURX-UHFFFAOYSA-N 0 1 385.439 3.965 50 0 GHAAMN Cc1cnc(CC2CCN(C(=O)NCC(C)C)CC2)n1Cc1ccc(F)cc1 ZINC000257188289 838885547 /nfs/dbraw/zinc/88/55/47/838885547.db2.gz FBRRGWKQKZVSQC-UHFFFAOYSA-N 0 1 386.515 3.999 50 0 GHAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000002662248 861493581 /nfs/dbraw/zinc/49/35/81/861493581.db2.gz JMYTUCIJNDQZIK-UHFFFAOYSA-N 0 1 398.278 3.851 50 0 GHAAMN Cc1nc([C@@H](NC(=O)Nc2cc(Cl)ccc2N(C)C)c2ccccc2)n[nH]1 ZINC000151389851 853379744 /nfs/dbraw/zinc/37/97/44/853379744.db2.gz BMRHYFJVSRIDHK-KRWDZBQOSA-N 0 1 384.871 3.744 50 0 GHAAMN COc1c2c(cc3c1[C@@H](C[C@@H](OC(C)=O)c1ccccc1)N(C)CC3)OCO2 ZINC000004029528 862722392 /nfs/dbraw/zinc/72/23/92/862722392.db2.gz HOJWQTIDNXZUOL-QZTJIDSGSA-N 0 1 383.444 3.647 50 0 biogenic GHAAMN O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000008267121 856090168 /nfs/dbraw/zinc/09/01/68/856090168.db2.gz IOJAONLESJWQFQ-QZTJIDSGSA-N 0 1 383.536 3.810 50 0 GHAAMN COc1ccc2nc(SCc3nc(N)nc(Nc4ccc(F)cc4)n3)[nH]c2c1 ZINC000008461614 856227120 /nfs/dbraw/zinc/22/71/20/856227120.db2.gz GOZCMBAFTHIBMC-UHFFFAOYSA-N 0 1 397.439 3.514 50 0 GHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2cccs2)N1Cc1cccnc1 ZINC000008845473 856383602 /nfs/dbraw/zinc/38/36/02/856383602.db2.gz DCMBMBATYFZIKD-FQEVSTJZSA-N 0 1 388.452 3.984 50 0 GHAAMN O=C(NC[C@H](c1ccsc1)N1CCCCCC1)C(=O)Nc1cccc(F)c1 ZINC000008893308 856639169 /nfs/dbraw/zinc/63/91/69/856639169.db2.gz VRXUZOBOARPVID-GOSISDBHSA-N 0 1 389.496 3.559 50 0 GHAAMN Cc1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)n[nH]1 ZINC000011662153 856877792 /nfs/dbraw/zinc/87/77/92/856877792.db2.gz AVYBYZLSAPVTJZ-OAQYLSRUSA-N 0 1 391.475 3.899 50 0 GHAAMN COc1ccc(-c2cc(-c3nn4c(nnc4-c4cccs4)s3)[nH]n2)cc1 ZINC000009421386 857194928 /nfs/dbraw/zinc/19/49/28/857194928.db2.gz XCHBADKFFLHDIS-UHFFFAOYSA-N 0 1 380.458 3.980 50 0 GHAAMN COc1cccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)n[nH]2)c1 ZINC000009610967 857256671 /nfs/dbraw/zinc/25/66/71/857256671.db2.gz HEMDJKCRFOQKLB-QGZVFWFLSA-N 0 1 390.487 3.745 50 0 GHAAMN CN1CCN(c2ccccc2NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)CC1 ZINC000042712496 857424736 /nfs/dbraw/zinc/42/47/36/857424736.db2.gz OMBFUXRGWVLAJG-UHFFFAOYSA-N 0 1 381.524 3.520 50 0 GHAAMN CN(C)[C@@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 ZINC000008036770 863019308 /nfs/dbraw/zinc/01/93/08/863019308.db2.gz VLFKFDDIMJNEED-QFIPXVFZSA-N 0 1 378.516 3.947 50 0 GHAAMN O=C(CCc1ccncc1)N1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2 ZINC000012305682 859187759 /nfs/dbraw/zinc/18/77/59/859187759.db2.gz WJIPUYIGPYYPKN-HSZRJFAPSA-N 0 1 381.495 3.668 50 0 GHAAMN CC(C)(C)n1cc(CN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cn1 ZINC000374816863 859500257 /nfs/dbraw/zinc/50/02/57/859500257.db2.gz GXSVNXGLQBYNDO-SFHVURJKSA-N 0 1 398.555 3.870 50 0 GHAAMN COc1cccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3cccnc3)C2)c1 ZINC000012303620 859830654 /nfs/dbraw/zinc/83/06/54/859830654.db2.gz NYMFQKAPKKMSEB-IBGZPJMESA-N 0 1 375.472 3.976 50 0 GHAAMN O=c1[nH]c2ccccc2n1C1CCN(Cc2cccc(Cn3cccn3)c2)CC1 ZINC000828400465 865276569 /nfs/dbraw/zinc/27/65/69/865276569.db2.gz VTTDLGJXQXRXGQ-UHFFFAOYSA-N 0 1 387.487 3.824 50 0 GHAAMN CCOc1cc2c(cc1CN1CCC(CN3CCCCC3=O)CC1)O[C@@H](C)C2 ZINC000173440200 865547742 /nfs/dbraw/zinc/54/77/42/865547742.db2.gz AEANBZUDKILNCJ-KRWDZBQOSA-N 0 1 386.536 3.633 50 0 GHAAMN Cc1cccc(OCC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000581779871 869962367 /nfs/dbraw/zinc/96/23/67/869962367.db2.gz UGKOOALQRKKPNE-SFHVURJKSA-N 0 1 380.423 3.662 50 0 GHAAMN Cc1cccc(OCC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000581779871 869962376 /nfs/dbraw/zinc/96/23/76/869962376.db2.gz UGKOOALQRKKPNE-SFHVURJKSA-N 0 1 380.423 3.662 50 0 GHAAMN COc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1OC ZINC000581776195 869967178 /nfs/dbraw/zinc/96/71/78/869967178.db2.gz KFMOARNZHHMZAD-QGZVFWFLSA-N 0 1 392.459 3.856 50 0 GHAAMN COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1OC ZINC000581776195 869967188 /nfs/dbraw/zinc/96/71/88/869967188.db2.gz KFMOARNZHHMZAD-QGZVFWFLSA-N 0 1 392.459 3.856 50 0 GHAAMN Cc1cnc(C2CC2)n1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000581806856 870037136 /nfs/dbraw/zinc/03/71/36/870037136.db2.gz AZRBJZILBAIKTH-INIZCTEOSA-N 0 1 396.491 3.784 50 0 GHAAMN COc1ccc(C(=O)N2CCC[C@@H](Cn3c(C)cnc3C3CCOCC3)C2)cc1 ZINC000581807218 870038728 /nfs/dbraw/zinc/03/87/28/870038728.db2.gz KWPFDVYJHBFHRP-GOSISDBHSA-N 0 1 397.519 3.647 50 0 GHAAMN C[N@@H+](CC(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc3oc4ccccc4c3c2)CC1 ZINC000561187915 873081325 /nfs/dbraw/zinc/08/13/25/873081325.db2.gz KKLSKFSRBZRSPI-INIZCTEOSA-N 0 1 395.459 3.989 50 0 GHAAMN Cc1nc(-c2cc3c(s2)CCN(C[C@@H](O)COCc2ccco2)C3)cs1 ZINC000180876393 879439183 /nfs/dbraw/zinc/43/91/83/879439183.db2.gz ZLPPEZCIFJDLJQ-OAHLLOKOSA-N 0 1 390.530 3.709 50 0 GHAAMN CCN1CCCC[C@@H]1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000104317537 904570687 /nfs/dbraw/zinc/57/06/87/904570687.db2.gz QVBRSUBKBMNDHQ-GOSISDBHSA-N 0 1 398.469 3.744 50 0 GHAAMN C[C@H](O)c1nc2ccc(NC(=O)c3ccc(-c4noc(C5CC5)n4)cc3)cc2[nH]1 ZINC000952991951 904665139 /nfs/dbraw/zinc/66/51/39/904665139.db2.gz XVVSVYLQVVGOPW-NSHDSACASA-N 0 1 389.415 3.796 50 0 GHAAMN CC(C)c1nc(CNC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)n[nH]1 ZINC000654577809 930486995 /nfs/dbraw/zinc/48/69/95/930486995.db2.gz CNIYRTBCCNVCTD-UHFFFAOYSA-N 0 1 391.466 3.761 50 0 GHAAMN C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3-c3ccccc3C(=O)[O-])CC[C@H]21 ZINC000887557434 930639198 /nfs/dbraw/zinc/63/91/98/930639198.db2.gz NKGIWTMNIYRUBO-IIBYNOLFSA-N 0 1 378.472 3.608 50 0 GHAAMN CN(Cc1ccco1)Cc1ccc(-c2nc(C3CCOCC3)cc(=O)[nH]2)cc1 ZINC000023479167 206252265 /nfs/dbraw/zinc/25/22/65/206252265.db2.gz VPQCFDGMRYAUCY-UHFFFAOYSA-N 0 1 379.460 3.556 50 0 GHAAMN C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000029732044 206262999 /nfs/dbraw/zinc/26/29/99/206262999.db2.gz GCPICPLBEMZIJD-OLMNPRSZSA-N 0 1 383.458 3.854 50 0 GHAAMN C[C@H](CNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCc2ccccc2C1 ZINC000029732044 206263004 /nfs/dbraw/zinc/26/30/04/206263004.db2.gz GCPICPLBEMZIJD-OLMNPRSZSA-N 0 1 383.458 3.854 50 0 GHAAMN Cc1nc(CCCC(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cs1 ZINC000095993289 206299688 /nfs/dbraw/zinc/29/96/88/206299688.db2.gz NYCVABDPZINTNO-KRWDZBQOSA-N 0 1 395.532 3.966 50 0 GHAAMN O=C([C@H](Sc1nc2ccc(Cl)cc2[nH]1)c1ccccc1)N1CCOCC1 ZINC000009366972 206325711 /nfs/dbraw/zinc/32/57/11/206325711.db2.gz IQRZAKQWSUDIAW-QGZVFWFLSA-N 0 1 387.892 3.909 50 0 GHAAMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000001158178 206361046 /nfs/dbraw/zinc/36/10/46/206361046.db2.gz RTSSBLGFWXGCSY-UHFFFAOYSA-N 0 1 376.659 3.912 50 0 GHAAMN Cc1nc2sc(-c3ccccc3)cc2c(N2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000015130014 207048263 /nfs/dbraw/zinc/04/82/63/207048263.db2.gz LUSKLHVCQODZGW-SFHVURJKSA-N 0 1 394.544 3.968 50 0 GHAAMN CSc1ccc(NC(=O)CCc2c(C)[nH]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000016259718 207074983 /nfs/dbraw/zinc/07/49/83/207074983.db2.gz MZRZOITUIQOQKI-UHFFFAOYSA-N 0 1 385.464 3.906 50 0 GHAAMN COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc(C)cc2C)CC1 ZINC000019361760 207118243 /nfs/dbraw/zinc/11/82/43/207118243.db2.gz SBQIXTHCHYCABM-UHFFFAOYSA-N 0 1 384.520 3.647 50 0 biogenic GHAAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc2ccccc21 ZINC000020714522 207209892 /nfs/dbraw/zinc/20/98/92/207209892.db2.gz NFUDRADMTUPFEE-GOSISDBHSA-N 0 1 383.411 3.620 50 0 GHAAMN Cc1ccc2[nH]cc(NC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000021523417 207230350 /nfs/dbraw/zinc/23/03/50/207230350.db2.gz WXWBJKKEDYUQKQ-UHFFFAOYSA-N 0 1 390.487 3.623 50 0 GHAAMN Cc1cc(CNC(=O)c2ccc([C@@H]3CCCN3Cc3nccs3)s2)n[nH]1 ZINC000023158455 207271008 /nfs/dbraw/zinc/27/10/08/207271008.db2.gz PGLKYHRLKXGBLZ-AWEZNQCLSA-N 0 1 387.534 3.503 50 0 GHAAMN O=C(c1cc2ccccn2n1)N1CCc2n[nH]c(CSc3ccccc3)c2C1 ZINC000023338116 207274386 /nfs/dbraw/zinc/27/43/86/207274386.db2.gz UPZSLXWTDJAEHE-UHFFFAOYSA-N 0 1 389.484 3.548 50 0 GHAAMN CCN(Cc1cccc(F)c1)C(=O)CN1CCC([C@H](O)c2ccccc2)CC1 ZINC000024972478 207297326 /nfs/dbraw/zinc/29/73/26/207297326.db2.gz OHZIGAYCHNPEIT-HSZRJFAPSA-N 0 1 384.495 3.620 50 0 GHAAMN CC(C)(CNC(=O)c1ccc(C(F)(F)F)nc1)N1CCc2ccccc2C1 ZINC000025464467 207304720 /nfs/dbraw/zinc/30/47/20/207304720.db2.gz VZBBYFFASPUJMB-UHFFFAOYSA-N 0 1 377.410 3.667 50 0 GHAAMN CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(F)c(F)c2)cc1 ZINC000026311634 207312273 /nfs/dbraw/zinc/31/22/73/207312273.db2.gz REWMPLYUKBPRGP-AWEZNQCLSA-N 0 1 382.476 3.846 50 0 GHAAMN Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)N(C)C)cc1 ZINC000028289739 207339820 /nfs/dbraw/zinc/33/98/20/207339820.db2.gz UIMSNPCIIUOZHI-QGZVFWFLSA-N 0 1 384.863 3.788 50 0 GHAAMN 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CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCC(C)CC1 ZINC000002310121 855188929 /nfs/dbraw/zinc/18/89/29/855188929.db2.gz MGIVJPMRZPJTOX-ZDUSSCGKSA-N 0 1 375.444 3.543 50 0 GHAAMN O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccccc1OC(F)(F)F ZINC000031722451 862668381 /nfs/dbraw/zinc/66/83/81/862668381.db2.gz WSOSNRDSRMYJTF-UHFFFAOYSA-N 0 1 397.378 3.631 50 0 GHAAMN C[C@H](Nc1ccc(N2CCCCCC2)cc1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000008135897 856005452 /nfs/dbraw/zinc/00/54/52/856005452.db2.gz DSMAYHVSSCCJDQ-KRWDZBQOSA-N 0 1 395.503 3.913 50 0 GHAAMN CCCCCCn1c([O-])c([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S ZINC000004087123 862770064 /nfs/dbraw/zinc/77/00/64/862770064.db2.gz YUXYOJPATKKSCS-SFHVURJKSA-N 0 1 398.532 3.908 50 0 biogenic GHAAMN COCc1cc(NCc2nc(-c3ccccn3)c(-c3ccc(C)cc3)[nH]2)ncn1 ZINC000067757476 856323249 /nfs/dbraw/zinc/32/32/49/856323249.db2.gz RNPIZHHYLMKTRQ-UHFFFAOYSA-N 0 1 386.459 3.996 50 0 GHAAMN COC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1cccc(Cl)c1Cl ZINC000008843505 856383112 /nfs/dbraw/zinc/38/31/12/856383112.db2.gz YYHJVYLWEGKTIA-LBPRGKRZSA-N 0 1 385.276 3.769 50 0 GHAAMN CC(C)C[C@H](CNc1nc(-c2cccnc2)nc2ccccc21)N1CCOCC1 ZINC000040047105 856640054 /nfs/dbraw/zinc/64/00/54/856640054.db2.gz KYMYJXLUERWYCS-LJQANCHMSA-N 0 1 391.519 3.851 50 0 GHAAMN O=S(=O)(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(F)c(Cl)c1 ZINC000069090818 856682024 /nfs/dbraw/zinc/68/20/24/856682024.db2.gz CTHCJJHJTLDWSJ-SFHVURJKSA-N 0 1 382.888 3.595 50 0 GHAAMN Cc1csc2nc(CN[C@H](c3ccc4c(c3)OCCCO4)C(C)C)cc(=O)n12 ZINC000009994367 857391600 /nfs/dbraw/zinc/39/16/00/857391600.db2.gz DMOLNVRFKMJOIU-FQEVSTJZSA-N 0 1 399.516 3.713 50 0 GHAAMN CCOC(=O)Cc1csc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)n1 ZINC000010322985 857438655 /nfs/dbraw/zinc/43/86/55/857438655.db2.gz HTHQNLLVRFVHHS-UHFFFAOYSA-N 0 1 390.852 3.545 50 0 GHAAMN COC[C@@H]1CCCCN1C(=O)c1cc(COc2cccc(C(F)(F)F)c2)n[nH]1 ZINC000012202439 859282052 /nfs/dbraw/zinc/28/20/52/859282052.db2.gz HFDGVRSLEXACRS-HNNXBMFYSA-N 0 1 397.397 3.649 50 0 GHAAMN CCCn1c(C)cnc1CC1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000169788091 859785245 /nfs/dbraw/zinc/78/52/45/859785245.db2.gz INKAOKYJPRJUSD-UHFFFAOYSA-N 0 1 385.508 3.714 50 0 GHAAMN Cc1ccc2c(c1)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C(=O)CO2 ZINC000096564745 860984538 /nfs/dbraw/zinc/98/45/38/860984538.db2.gz VNRVTIJAGYGFFQ-UHFFFAOYSA-N 0 1 399.922 3.586 50 0 GHAAMN COc1ccc(OC)c(NC(=O)N[C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000824732014 864123782 /nfs/dbraw/zinc/12/37/82/864123782.db2.gz RUVHPHFNJGWMGB-CQSZACIVSA-N 0 1 375.494 3.551 50 0 GHAAMN COc1ccc(CN2CCC(CNC(=O)CCc3ccc(C)cc3C)CC2)cn1 ZINC000824747811 864129952 /nfs/dbraw/zinc/12/99/52/864129952.db2.gz DEMUPWQWALDXLY-UHFFFAOYSA-N 0 1 395.547 3.668 50 0 GHAAMN O=C(CCn1cnc2ccccc21)NC[C@H](c1ccc(F)cc1)N1CCCC1 ZINC000827822403 865127919 /nfs/dbraw/zinc/12/79/19/865127919.db2.gz LRRXTFQSIKCLMK-OAQYLSRUSA-N 0 1 380.467 3.519 50 0 GHAAMN Cc1ccc(NC(=O)N2CC[C@@H](Cc3nc(-c4cccnc4)n[nH]3)C2)cc1C ZINC000575540151 866173166 /nfs/dbraw/zinc/17/31/66/866173166.db2.gz CSLWLUBPVBEFSW-INIZCTEOSA-N 0 1 376.464 3.580 50 0 GHAAMN Cc1ccc(NC(=O)N2CC[C@@H](Cc3n[nH]c(-c4cccnc4)n3)C2)cc1C ZINC000575540151 866173169 /nfs/dbraw/zinc/17/31/69/866173169.db2.gz CSLWLUBPVBEFSW-INIZCTEOSA-N 0 1 376.464 3.580 50 0 GHAAMN Cc1cnc(C2CCOCC2)n1[C@@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000581807037 870036659 /nfs/dbraw/zinc/03/66/59/870036659.db2.gz AJNMGRNYSDLKKM-LJQANCHMSA-N 0 1 390.487 3.721 50 0 GHAAMN Cc1cnc(C2CCOCC2)n1C[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000581806987 870037207 /nfs/dbraw/zinc/03/72/07/870037207.db2.gz GQGKQBILJREYSD-SFHVURJKSA-N 0 1 388.556 3.840 50 0 GHAAMN Cc1cnc(C2CCOCC2)n1[C@@H]1CCN(C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000581808468 870040520 /nfs/dbraw/zinc/04/05/20/870040520.db2.gz WMQQIKVPIOAXFT-LJQANCHMSA-N 0 1 392.503 3.583 50 0 GHAAMN COCCCn1c(C)cnc1CC1CCN(C(=O)NCc2ccc(C)cc2)CC1 ZINC000581816760 870049771 /nfs/dbraw/zinc/04/97/71/870049771.db2.gz OJUBCPJUYNKUTM-UHFFFAOYSA-N 0 1 398.551 3.701 50 0 GHAAMN Cc1nn(C)c(Oc2cccnc2)c1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000952963455 904643122 /nfs/dbraw/zinc/64/31/22/904643122.db2.gz OLMFVHPVXWICSV-AWEZNQCLSA-N 0 1 391.475 3.651 50 0 GHAAMN Cc1cccc(-c2noc(CCC(=O)Nc3ccc4nc([C@@H](C)O)[nH]c4c3)n2)c1 ZINC000952979487 904659381 /nfs/dbraw/zinc/65/93/81/904659381.db2.gz OEAMEARLRSUKAO-CYBMUJFWSA-N 0 1 391.431 3.546 50 0 GHAAMN CCc1oc(C(=O)Nc2ccc3[nH]c([C@H](C)O)nc3c2)cc1CN1CCCC1 ZINC000952984524 904669877 /nfs/dbraw/zinc/66/98/77/904669877.db2.gz XKLFXOMVTGIECJ-ZDUSSCGKSA-N 0 1 382.464 3.620 50 0 GHAAMN COc1cc(Cl)c(CN(C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c(OC)c1 ZINC000952985817 904671454 /nfs/dbraw/zinc/67/14/54/904671454.db2.gz HNUDUDBLBRHSLA-AWEZNQCLSA-N 0 1 380.916 3.580 50 0 GHAAMN COc1ccc(CN(C)C(=O)NCc2n[nH]c3c2CCCCC3)c2cccnc12 ZINC000426506889 231231844 /nfs/dbraw/zinc/23/18/44/231231844.db2.gz XUABANIXBNCZLK-UHFFFAOYSA-N 0 1 393.491 3.577 50 0 GHAAMN COc1ccc(F)cc1-c1ccc(C(=O)N2CCC(c3nc[nH]n3)CC2)cc1 ZINC000426658532 231251086 /nfs/dbraw/zinc/25/10/86/231251086.db2.gz SRRRTXNENYLROB-UHFFFAOYSA-N 0 1 380.423 3.639 50 0 GHAAMN CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027571245 206261574 /nfs/dbraw/zinc/26/15/74/206261574.db2.gz QCOKDFHRSWSQOQ-WIYYLYMNSA-N 0 1 393.531 3.777 50 0 GHAAMN CCc1ccc([C@@H](C)NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000027571245 206261576 /nfs/dbraw/zinc/26/15/76/206261576.db2.gz QCOKDFHRSWSQOQ-WIYYLYMNSA-N 0 1 393.531 3.777 50 0 GHAAMN CCc1ccccc1N1CCN(CCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000000625024 206307497 /nfs/dbraw/zinc/30/74/97/206307497.db2.gz KGPCQYIIAPMFNR-UHFFFAOYSA-N 0 1 384.520 3.640 50 0 GHAAMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c1 ZINC000001073195 206349719 /nfs/dbraw/zinc/34/97/19/206349719.db2.gz WNQMXCJQTAXGAS-UHFFFAOYSA-N 0 1 392.908 3.994 50 0 GHAAMN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000001141446 206358577 /nfs/dbraw/zinc/35/85/77/206358577.db2.gz YLRJAXWUDMATJS-UHFFFAOYSA-N 0 1 390.244 3.589 50 0 GHAAMN Cc1cc(C)n(-c2ccc(C(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2)n1 ZINC000003338062 206471526 /nfs/dbraw/zinc/47/15/26/206471526.db2.gz AETVZYFHFHQFFY-FQEVSTJZSA-N 0 1 378.476 3.649 50 0 GHAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1 ZINC000006701438 206664588 /nfs/dbraw/zinc/66/45/88/206664588.db2.gz VCXKQKCYYYTRMG-UHFFFAOYSA-N 0 1 389.477 3.514 50 0 GHAAMN COc1cc(F)ccc1CN1CCC(n2nccc2NC(=O)CC(C)C)CC1 ZINC000012432111 206897065 /nfs/dbraw/zinc/89/70/65/206897065.db2.gz UGHPIJBBKGONBE-UHFFFAOYSA-N 0 1 388.487 3.853 50 0 GHAAMN CC(=O)c1cc(C(=O)c2cc(C)ccc2O)cn(-c2ccc(C)cc2C)c1=O ZINC000014180719 207013938 /nfs/dbraw/zinc/01/39/38/207013938.db2.gz OQKVBYLBSTWMDJ-UHFFFAOYSA-N 0 1 375.424 3.902 50 0 GHAAMN O=C1CCN(Cc2cnn(-c3ccccc3)c2)CCN1Cc1cccc(Cl)c1 ZINC000014966757 207035391 /nfs/dbraw/zinc/03/53/91/207035391.db2.gz RSSKTTOLUSBEKL-UHFFFAOYSA-N 0 1 394.906 3.760 50 0 GHAAMN Cc1cccc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)n1 ZINC000015070368 207045298 /nfs/dbraw/zinc/04/52/98/207045298.db2.gz POTQXIJMODPDMP-UHFFFAOYSA-N 0 1 379.504 3.669 50 0 GHAAMN COc1cccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)n[nH]2)c1 ZINC000015679312 207055636 /nfs/dbraw/zinc/05/56/36/207055636.db2.gz UVKIXYWPPLUOTN-UHFFFAOYSA-N 0 1 390.487 3.665 50 0 GHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)n[nH]2)c(C)c1 ZINC000015726007 207057131 /nfs/dbraw/zinc/05/71/31/207057131.db2.gz WSQZDLAVUSHXBS-UHFFFAOYSA-N 0 1 394.519 3.558 50 0 GHAAMN COc1ccc([C@@H](C)NCC(=O)NCCSCc2cccs2)cc1F ZINC000016695512 207077192 /nfs/dbraw/zinc/07/71/92/207077192.db2.gz ZYYIDRFCVUNLKF-CYBMUJFWSA-N 0 1 382.526 3.596 50 0 GHAAMN COc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)N2CCCC2)cc1 ZINC000017911336 207090896 /nfs/dbraw/zinc/09/08/96/207090896.db2.gz BTYVBKJDZLGXNY-OAQYLSRUSA-N 0 1 382.504 3.644 50 0 GHAAMN Cc1ccccc1NC(=O)C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O ZINC000018992430 207099133 /nfs/dbraw/zinc/09/91/33/207099133.db2.gz NOAOYPBWSVOBIN-QGZVFWFLSA-N 0 1 392.436 3.519 50 0 GHAAMN O[C@@H](COCc1ccc(Cl)cc1)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000020109725 207177959 /nfs/dbraw/zinc/17/79/59/207177959.db2.gz CZOZEXIYWNOOEE-HXUWFJFHSA-N 0 1 395.330 3.693 50 0 GHAAMN C[C@@H](C(=O)NC1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021822150 207240200 /nfs/dbraw/zinc/24/02/00/207240200.db2.gz XRHYMRZIVREHRD-FQEVSTJZSA-N 0 1 391.559 3.841 50 0 GHAAMN Cc1csc2nc(CN3CCN(Cc4ccc(C(C)C)cc4)CC3)cc(=O)n12 ZINC000022023860 207245234 /nfs/dbraw/zinc/24/52/34/207245234.db2.gz CIIVWYDGDGESSW-UHFFFAOYSA-N 0 1 396.560 3.506 50 0 GHAAMN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc2c3c(cccc31)CC2 ZINC000022411371 207253194 /nfs/dbraw/zinc/25/31/94/207253194.db2.gz NCPWFGWTSIOZCK-UHFFFAOYSA-N 0 1 378.516 3.703 50 0 GHAAMN Cc1cc(CN2CCC[C@@H]2c2ccc(C(N)=O)s2)c(C)n1-c1cccnc1 ZINC000023366704 207275558 /nfs/dbraw/zinc/27/55/58/207275558.db2.gz NVKRZRJZYAZDBX-GOSISDBHSA-N 0 1 380.517 3.987 50 0 GHAAMN Cc1cc(C)n(CCC[N@H+](C)Cc2cccc(-c3nc(C)c(F)c(=O)[n-]3)c2)n1 ZINC000023338319 207275689 /nfs/dbraw/zinc/27/56/89/207275689.db2.gz ZGUQKJLRABOATJ-UHFFFAOYSA-N 0 1 383.471 3.632 50 0 GHAAMN O=C(NCCSc1ccc(Br)cc1)c1n[nH]c2ccccc21 ZINC000023805422 207282335 /nfs/dbraw/zinc/28/23/35/207282335.db2.gz MHRDCDVLACWRKQ-UHFFFAOYSA-N 0 1 376.279 3.848 50 0 GHAAMN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C[C@H](O)COC(C)(C)C)CC2 ZINC000024600999 207292720 /nfs/dbraw/zinc/29/27/20/207292720.db2.gz KTNAMCPZFFKBAY-CVDCTZTESA-N 0 1 399.531 3.827 50 0 GHAAMN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCSCC2)n[nH]1 ZINC000038651922 207313641 /nfs/dbraw/zinc/31/36/41/207313641.db2.gz PQUXVAAMROHCHH-UHFFFAOYSA-N 0 1 388.493 3.837 50 0 GHAAMN CN(C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccs1 ZINC000040043171 207335835 /nfs/dbraw/zinc/33/58/35/207335835.db2.gz CGPDEKYZAPTGEI-GOSISDBHSA-N 0 1 398.507 3.594 50 0 GHAAMN COc1cccc([C@@H](CNC(=O)c2cc(Cl)c(Cl)n2C)N2CCCC2)c1 ZINC000030671601 207373553 /nfs/dbraw/zinc/37/35/53/207373553.db2.gz VDUDIXXQTMMYIU-QGZVFWFLSA-N 0 1 396.318 3.907 50 0 GHAAMN Cc1ccc(NC(=O)CC2C(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1C ZINC000031815361 207387152 /nfs/dbraw/zinc/38/71/52/207387152.db2.gz ZECYZUUYBDZKMX-INIZCTEOSA-N 0 1 395.850 3.737 50 0 GHAAMN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCCCN1CCOCC1 ZINC000048285326 207691151 /nfs/dbraw/zinc/69/11/51/207691151.db2.gz HVVBVUWKPRYVRA-UHFFFAOYSA-N 0 1 393.940 3.614 50 0 GHAAMN COc1ccc(CC[C@@H](C)Nc2nc(-c3cccnc3)nc3c2CNC3)cc1 ZINC000072140051 207976909 /nfs/dbraw/zinc/97/69/09/207976909.db2.gz YGRSBHMUWHITIH-OAHLLOKOSA-N 0 1 375.476 3.584 50 0 GHAAMN COc1ccc(CN2CCCC[C@H]2CCN2CCCC2=O)c(Cl)c1OC ZINC000077471479 208047411 /nfs/dbraw/zinc/04/74/11/208047411.db2.gz FMLVUXOIINUNNB-INIZCTEOSA-N 0 1 380.916 3.724 50 0 GHAAMN CC(C)n1[nH]c(=O)c2c1[nH]c1nc(=O)sc-1c2-c1ccc(F)c(F)c1F ZINC000072405311 208016414 /nfs/dbraw/zinc/01/64/14/208016414.db2.gz JGMBKWQEDQGSLB-UHFFFAOYSA-N 0 1 380.351 3.705 50 0 GHAAMN CC(C)Cc1n[nH]c(-c2nn3c(nnc3C3CCC3)s2)c1Br ZINC000072405261 208017339 /nfs/dbraw/zinc/01/73/39/208017339.db2.gz FFTWTKJTHSCBOC-UHFFFAOYSA-N 0 1 381.303 3.804 50 0 GHAAMN CCn1ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(C)cc3)C2)cc1=O ZINC000077436919 208042845 /nfs/dbraw/zinc/04/28/45/208042845.db2.gz SRRNGXBHMYGJEY-LJQANCHMSA-N 0 1 390.487 3.587 50 0 GHAAMN Cc1nccn1[C@H](C)C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 ZINC000082120434 208079795 /nfs/dbraw/zinc/07/97/95/208079795.db2.gz LZTQFNPUJJSVLQ-MRXNPFEDSA-N 0 1 377.492 3.857 50 0 GHAAMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(Cn4ccnc4)o3)[nH]c2c1 ZINC000082147929 208083361 /nfs/dbraw/zinc/08/33/61/208083361.db2.gz ZLIMGRAFPHTSRJ-SFHVURJKSA-N 0 1 375.432 3.686 50 0 GHAAMN CCc1ccc([C@@H](C)NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000083823620 208084447 /nfs/dbraw/zinc/08/44/47/208084447.db2.gz JTHIHWWWDPUUSN-CYBMUJFWSA-N 0 1 394.924 3.595 50 0 GHAAMN CCN(Cc1ccc(SC)cc1)C(=O)c1cnc(-c2cccnc2)nc1O ZINC000091350652 208117353 /nfs/dbraw/zinc/11/73/53/208117353.db2.gz LRDYSJBPYXMKKC-UHFFFAOYSA-N 0 1 380.473 3.628 50 0 GHAAMN O=C1CC[C@H](c2nc(-c3ccc4[nH]cnc4c3)no2)CN1CCc1ccccc1 ZINC000091381043 208117571 /nfs/dbraw/zinc/11/75/71/208117571.db2.gz QHCYAGKNXYZATH-KRWDZBQOSA-N 0 1 387.443 3.562 50 0 GHAAMN Cc1ccc2[nH]nc(C(=O)N[C@@H]3CCCc4nc(-c5cccnc5)ncc43)c2c1 ZINC000091459760 208119681 /nfs/dbraw/zinc/11/96/81/208119681.db2.gz QNMWYVRWRZLMQA-GOSISDBHSA-N 0 1 384.443 3.531 50 0 GHAAMN O=C(c1cccc(F)c1F)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095378362 208170502 /nfs/dbraw/zinc/17/05/02/208170502.db2.gz KRMDFUKMVFWXKF-IOMROCGXSA-N 0 1 386.417 3.806 50 0 GHAAMN CCCCn1ccnc1C1CCN(C(=O)Cc2ccc3nc(C)[nH]c3c2)CC1 ZINC000095497931 208197002 /nfs/dbraw/zinc/19/70/02/208197002.db2.gz VZFBNUVZZUWOMP-UHFFFAOYSA-N 0 1 379.508 3.817 50 0 GHAAMN CCn1ccnc1C1CCN(C(=O)CCc2nc3ccc(C)c(C)c3[nH]2)CC1 ZINC000095520621 208220103 /nfs/dbraw/zinc/22/01/03/208220103.db2.gz SRAONKVFZAOIQT-UHFFFAOYSA-N 0 1 379.508 3.735 50 0 GHAAMN O=C(NCC1(N2CCOCC2)CCCCCC1)Nc1ccc2scnc2c1 ZINC000096152744 208276462 /nfs/dbraw/zinc/27/64/62/208276462.db2.gz SYHCUOVZLVEVCG-UHFFFAOYSA-N 0 1 388.537 3.843 50 0 GHAAMN COc1ccccc1[C@@H](C)NCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 ZINC000095989755 208250071 /nfs/dbraw/zinc/25/00/71/208250071.db2.gz PNQBDKDLDDMPPQ-QGZVFWFLSA-N 0 1 378.476 3.787 50 0 GHAAMN Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)Nc3cccc(Cl)c3C)c2C)o1 ZINC000096379403 208309937 /nfs/dbraw/zinc/30/99/37/208309937.db2.gz QRHWGIULPOAMOR-UHFFFAOYSA-N 0 1 380.857 3.753 50 0 GHAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000220725903 208863220 /nfs/dbraw/zinc/86/32/20/208863220.db2.gz DCTCFOAQPPIZJY-CYBMUJFWSA-N 0 1 395.438 3.571 50 0 GHAAMN Cc1nn(Cc2ccc(F)cc2)c(C)c1NS(=O)(=O)c1ccccc1F ZINC000252479973 209032625 /nfs/dbraw/zinc/03/26/25/209032625.db2.gz BQYYNEHBAPTENU-UHFFFAOYSA-N 0 1 377.416 3.627 50 0 GHAAMN CC(C)c1n[nH]c(NC(=O)COc2cccc3c2ccn3Cc2ccccc2)n1 ZINC000253414957 209039591 /nfs/dbraw/zinc/03/95/91/209039591.db2.gz ZEMQWHKDSIFJBM-UHFFFAOYSA-N 0 1 389.459 3.949 50 0 GHAAMN CC(C)c1nc(NC(=O)COc2cccc3c2ccn3Cc2ccccc2)n[nH]1 ZINC000253414957 209039595 /nfs/dbraw/zinc/03/95/95/209039595.db2.gz ZEMQWHKDSIFJBM-UHFFFAOYSA-N 0 1 389.459 3.949 50 0 GHAAMN Cc1ccccc1N1CCN(C(=O)C2=CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000064818110 136157931 /nfs/dbraw/zinc/15/79/31/136157931.db2.gz WNHBLDFVUWSFMI-UHFFFAOYSA-N 0 1 393.506 3.615 50 0 GHAAMN CC1CCN(c2ccc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000065528664 136164163 /nfs/dbraw/zinc/16/41/63/136164163.db2.gz NZZCJVJHNCEAAL-UHFFFAOYSA-N 0 1 396.516 3.909 50 0 GHAAMN C[C@@H]1CN(c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)C[C@H](C)O1 ZINC000109561256 136192039 /nfs/dbraw/zinc/19/20/39/136192039.db2.gz KZJVMTARPLXEDP-IYBDPMFKSA-N 0 1 376.460 3.943 50 0 GHAAMN CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CCN(c2ccccn2)CC1 ZINC000004073781 136193684 /nfs/dbraw/zinc/19/36/84/136193684.db2.gz IDCQAOPXKSDGDT-ISQLDUATSA-N 0 1 395.547 3.662 50 0 biogenic GHAAMN Cc1oc(-c2ccc(C)cc2)nc1CN1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426465119 534521995 /nfs/dbraw/zinc/52/19/95/534521995.db2.gz GSAIGLQKEGVNGC-IBGZPJMESA-N 0 1 380.492 3.527 50 0 GHAAMN CN(C)[C@@H](CNC(=O)/C=C/c1ccccc1OC(F)F)c1cccc(F)c1 ZINC000032730220 522008924 /nfs/dbraw/zinc/00/89/24/522008924.db2.gz DDEIPKWVPOHMNH-DVQDXYAYSA-N 0 1 378.394 3.859 50 0 GHAAMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccnc(Cl)c2)CC1 ZINC000060331373 535747254 /nfs/dbraw/zinc/74/72/54/535747254.db2.gz MZJKZBGUVUYZLZ-AWEZNQCLSA-N 0 1 390.890 3.507 50 0 GHAAMN COc1ccc([C@H](CNC(=O)c2cnn(C(C)(C)C)c2)N2CCCCC2)cc1 ZINC000048185797 570220305 /nfs/dbraw/zinc/22/03/05/570220305.db2.gz FVFYWIOYXUSVAR-FQEVSTJZSA-N 0 1 384.524 3.604 50 0 GHAAMN O=C(c1cc(-c2cccc(Cl)c2)[nH]n1)N1CCN(c2ccccc2F)CC1 ZINC000046455026 570272938 /nfs/dbraw/zinc/27/29/38/570272938.db2.gz FMCMKVBMCABGSW-UHFFFAOYSA-N 0 1 384.842 3.832 50 0 GHAAMN Cc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000006146665 570277090 /nfs/dbraw/zinc/27/70/90/570277090.db2.gz LBWZHJRVRKEFSO-UHFFFAOYSA-N 0 1 391.836 3.690 50 0 GHAAMN CC(=O)Nc1cccc(NC(=O)CN[C@@H](C)c2ccc(Br)cc2)c1 ZINC000012891738 570286162 /nfs/dbraw/zinc/28/61/62/570286162.db2.gz WTCIEMTZRPEUFQ-LBPRGKRZSA-N 0 1 390.281 3.697 50 0 GHAAMN COc1ccc(-c2[nH]nc(C3CCOCC3)c2NC(=O)C2CCC2)cc1OC ZINC000034793999 570336593 /nfs/dbraw/zinc/33/65/93/570336593.db2.gz HHNUIGOSLOJRNP-UHFFFAOYSA-N 0 1 385.464 3.727 50 0 GHAAMN COc1cccc(C(=O)N(CCN(C)C)c2nc3c(cc(F)cc3F)s2)c1 ZINC000005121736 570421756 /nfs/dbraw/zinc/42/17/56/570421756.db2.gz ACEWQDGAEGIGJO-UHFFFAOYSA-N 0 1 391.443 3.792 50 0 GHAAMN CCc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 ZINC000011721766 570430601 /nfs/dbraw/zinc/43/06/01/570430601.db2.gz UQGUAKMGEDVVJP-UHFFFAOYSA-N 0 1 393.531 3.911 50 0 GHAAMN O=c1c(I)c(O)cc(-c2ccccc2)n1-c1ccccc1 ZINC000005450654 570440433 /nfs/dbraw/zinc/44/04/33/570440433.db2.gz RIFRAUZVVLOCER-UHFFFAOYSA-N 0 1 389.192 3.815 50 0 GHAAMN O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1ccc(Br)cc1 ZINC000005522338 570444393 /nfs/dbraw/zinc/44/43/93/570444393.db2.gz SQYQCMNURORVQY-UHFFFAOYSA-N 0 1 379.239 3.558 50 0 GHAAMN CN(CCCn1c(=O)oc2ccccc21)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000072291816 570484442 /nfs/dbraw/zinc/48/44/42/570484442.db2.gz YZSAJOAZPHHHSD-NRFANRHFSA-N 0 1 394.450 3.579 50 0 GHAAMN CCc1nc2sc([C@@H](c3cccc(OC)c3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690053 570494621 /nfs/dbraw/zinc/49/46/21/570494621.db2.gz SFPWLMHEFAJCJB-CXAGYDPISA-N 0 1 386.521 3.889 50 0 GHAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccc(Cl)cc1Cl ZINC000006974354 570499713 /nfs/dbraw/zinc/49/97/13/570499713.db2.gz YJFRIMCAKGJQAR-UHFFFAOYSA-N 0 1 380.260 3.904 50 0 GHAAMN CCOC(=O)C1=C(CN2CCC(C)CC2)N(C)C(=O)N[C@H]1c1ccc(C)cc1C ZINC000035991703 570505565 /nfs/dbraw/zinc/50/55/65/570505565.db2.gz ZSZBQZNWBLFOEN-NRFANRHFSA-N 0 1 399.535 3.549 50 0 GHAAMN Cc1ccc(-n2ncc(C(=O)Nc3ccc4[nH]nnc4c3)c2C(F)(F)F)cc1 ZINC000176710296 570510522 /nfs/dbraw/zinc/51/05/22/570510522.db2.gz PLEPBPWRCVGOSV-UHFFFAOYSA-N 0 1 386.337 3.723 50 0 GHAAMN COc1ccc(CN(Cc2ccco2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102103 570538920 /nfs/dbraw/zinc/53/89/20/570538920.db2.gz NDLJEHNZJMHBIN-OAQYLSRUSA-N 0 1 381.472 3.868 50 0 GHAAMN C[C@H](O)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146564 570549391 /nfs/dbraw/zinc/54/93/91/570549391.db2.gz CTNLFIFIQBFLDM-LIRRHRJNSA-N 0 1 376.859 3.855 50 0 GHAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCOC)cc1 ZINC000006752809 570571374 /nfs/dbraw/zinc/57/13/74/570571374.db2.gz MPKUNVNKCKIXIU-NRFANRHFSA-N 0 1 377.444 3.536 50 0 GHAAMN CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2cn(CC)nc2C)CC1 ZINC000011946486 570594944 /nfs/dbraw/zinc/59/49/44/570594944.db2.gz QAASAWDDTWBBSV-UHFFFAOYSA-N 0 1 387.499 3.739 50 0 GHAAMN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCC[C@H](C)C1 ZINC000005499412 570614796 /nfs/dbraw/zinc/61/47/96/570614796.db2.gz GBZFOGVNOLRSEP-QWHCGFSZSA-N 0 1 375.444 3.543 50 0 GHAAMN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000012198520 570624048 /nfs/dbraw/zinc/62/40/48/570624048.db2.gz MCZFLKFAMPEPIA-UHFFFAOYSA-N 0 1 384.379 3.633 50 0 GHAAMN Cc1cccc(NC(=O)N2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c1 ZINC000055054381 570680700 /nfs/dbraw/zinc/68/07/00/570680700.db2.gz WDFISBASSINMEB-QFIPXVFZSA-N 0 1 378.520 3.814 50 0 GHAAMN COc1ccc(C)c2sc(N(CCN(C)C)C(=O)COc3ccccc3)nc21 ZINC000004359413 570701482 /nfs/dbraw/zinc/70/14/82/570701482.db2.gz SMFLYVDVWHSCRM-UHFFFAOYSA-N 0 1 399.516 3.587 50 0 GHAAMN CC(=O)Nc1ccc2c(CSc3nc(-c4cccs4)n[nH]3)cc(=O)oc2c1 ZINC000006945437 570716253 /nfs/dbraw/zinc/71/62/53/570716253.db2.gz PUICUPHCXDKDAQ-UHFFFAOYSA-N 0 1 398.469 3.890 50 0 GHAAMN Cc1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)o1 ZINC000245228717 570738843 /nfs/dbraw/zinc/73/88/43/570738843.db2.gz DACNBNGKZFVVEA-IEBWSBKVSA-N 0 1 379.884 3.662 50 0 GHAAMN C[C@@H]1CN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000013133961 570748443 /nfs/dbraw/zinc/74/84/43/570748443.db2.gz QJIQFHNUNAUHQZ-WHSLLNHNSA-N 0 1 391.458 3.541 50 0 GHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000032721314 570761489 /nfs/dbraw/zinc/76/14/89/570761489.db2.gz GOABYDHMDSQPBJ-UHFFFAOYSA-N 0 1 388.272 3.674 50 0 GHAAMN O=c1c2c(O)cc(CSc3ccc(Cl)cc3)[nH]c-2nn1-c1ccccc1 ZINC000013655809 570767280 /nfs/dbraw/zinc/76/72/80/570767280.db2.gz UDYYPRWBKNVMLH-UHFFFAOYSA-N 0 1 383.860 3.953 50 0 GHAAMN O=C(CC1C(=O)Nc2nc(SCc3ccccc3)nn21)Nc1ccc(F)cc1 ZINC000013691058 570776020 /nfs/dbraw/zinc/77/60/20/570776020.db2.gz YTLAFMCNAQCFHV-HNNXBMFYSA-N 0 1 397.435 3.881 50 0 GHAAMN O=C(c1n[nH]c2c1CCCC2)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 ZINC000067640965 570784276 /nfs/dbraw/zinc/78/42/76/570784276.db2.gz LDBNBQCAKHAPGT-KRWDZBQOSA-N 0 1 389.503 3.622 50 0 GHAAMN COCc1nn2c(nccc2-c2c(O)cc(C)oc2=O)c1-c1ccc(Cl)cc1 ZINC000067640755 570784293 /nfs/dbraw/zinc/78/42/93/570784293.db2.gz FBZYCYMPPNYTSM-UHFFFAOYSA-N 0 1 397.818 3.830 50 0 GHAAMN COc1ccc(OCc2cc(C(=O)N3CC=C[C@@H]3C(C)C)[nH]n2)c(Cl)c1 ZINC000067642984 570784725 /nfs/dbraw/zinc/78/47/25/570784725.db2.gz BPHUKIBSKIKNOQ-QGZVFWFLSA-N 0 1 375.856 3.687 50 0 GHAAMN O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCc2nc[nH]c2C12CCCC2 ZINC000065293163 570786201 /nfs/dbraw/zinc/78/62/01/570786201.db2.gz WZCLKVQKZARBBI-UHFFFAOYSA-N 0 1 379.382 3.705 50 0 biogenic GHAAMN CNc1ccnc(NCc2nc(-c3cccc(F)c3)c(-c3ccccn3)[nH]2)n1 ZINC000067757907 570790028 /nfs/dbraw/zinc/79/00/28/570790028.db2.gz QSSLHAURGNNLBW-UHFFFAOYSA-N 0 1 375.411 3.722 50 0 GHAAMN Cc1ccccc1-n1cc(-c2c(-c3ccccc3)ncn2Cc2nnc[nH]2)cn1 ZINC000067784880 570790668 /nfs/dbraw/zinc/79/06/68/570790668.db2.gz TWINLWFHSZGJQM-UHFFFAOYSA-N 0 1 381.443 3.878 50 0 GHAAMN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1CCC[C@@H](C)C1 ZINC000013805140 570791390 /nfs/dbraw/zinc/79/13/90/570791390.db2.gz GBZFOGVNOLRSEP-CHWSQXEVSA-N 0 1 375.444 3.543 50 0 GHAAMN Cc1cccc(C)c1OCc1cc(C(=O)N(C)Cc2n[nH]c3c2CCCC3)no1 ZINC000067805574 570792494 /nfs/dbraw/zinc/79/24/94/570792494.db2.gz YTPGBXIEMWJNPV-UHFFFAOYSA-N 0 1 394.475 3.745 50 0 GHAAMN CCCNC(=O)c1sc(N2N=C(C)C(Cc3ccc(C)cc3)C2=O)nc1C ZINC000101505321 570825489 /nfs/dbraw/zinc/82/54/89/570825489.db2.gz HECFFXVDIULVLG-UHFFFAOYSA-N 0 1 384.505 3.690 50 0 GHAAMN COc1ccc(Br)cc1CNCCNC(=O)c1ccc(Cl)cc1 ZINC000004681969 570830050 /nfs/dbraw/zinc/83/00/50/570830050.db2.gz JGFCXFRNDJNQHF-UHFFFAOYSA-N 0 1 397.700 3.631 50 0 GHAAMN C[C@@H](Oc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cn1)c1ccccc1 ZINC000065565445 570831218 /nfs/dbraw/zinc/83/12/18/570831218.db2.gz ABNSOIFYWYFYHM-CQSZACIVSA-N 0 1 386.415 3.654 50 0 GHAAMN CCc1[nH]nc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1C ZINC000071707925 570843142 /nfs/dbraw/zinc/84/31/42/570843142.db2.gz CPCNUJGRTRAAET-FQEVSTJZSA-N 0 1 386.515 3.792 50 0 GHAAMN O[C@@H](COCc1ccccc1Cl)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000012550707 570854394 /nfs/dbraw/zinc/85/43/94/570854394.db2.gz LFEJJQIUHCQEEP-LJQANCHMSA-N 0 1 395.330 3.693 50 0 GHAAMN COc1ccc2nc([C@@H](C)NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)[nH]c2c1 ZINC000170598444 570856868 /nfs/dbraw/zinc/85/68/68/570856868.db2.gz ZRGBVWZJGYLFOV-LLVKDONJSA-N 0 1 379.395 3.592 50 0 GHAAMN 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C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328610 570315831 /nfs/dbraw/zinc/31/58/31/570315831.db2.gz QOMJGZQOGVCUGA-MJGOQNOKSA-N 0 1 397.494 3.696 50 0 GHAAMN C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012328604 570315941 /nfs/dbraw/zinc/31/59/41/570315941.db2.gz QOMJGZQOGVCUGA-HKUYNNGSSA-N 0 1 397.494 3.696 50 0 GHAAMN COc1ccc(CN(C(=O)CSc2nc3ccc(OC)cc3[nH]2)C2CC2)cc1 ZINC000007240561 570326877 /nfs/dbraw/zinc/32/68/77/570326877.db2.gz NBYAVADHDFRDJE-UHFFFAOYSA-N 0 1 397.500 3.863 50 0 GHAAMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CC[C@H](Oc2ccncc2Cl)C1 ZINC000575610214 570333913 /nfs/dbraw/zinc/33/39/13/570333913.db2.gz FEEQWFIGXBODCK-AWEZNQCLSA-N 0 1 386.814 3.558 50 0 GHAAMN COc1cc2c(cc1OC)C1=NC(=O)CN1C(SCc1cccc(C)c1)=N2 ZINC000006216906 570342829 /nfs/dbraw/zinc/34/28/29/570342829.db2.gz JLZNECPPVRWVDP-UHFFFAOYSA-N 0 1 381.457 3.536 50 0 GHAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Br)c1 ZINC000006315979 570376730 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Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1 ZINC000002792154 570517803 /nfs/dbraw/zinc/51/78/03/570517803.db2.gz CMTGGHKSCOVZGQ-UHFFFAOYSA-N 0 1 379.844 3.833 50 0 GHAAMN CN1CCN([C@H](CNC(=O)c2cccc3ccccc32)c2ccsc2)CC1 ZINC000022765611 570543256 /nfs/dbraw/zinc/54/32/56/570543256.db2.gz OFHCTBQVYFQLLA-OAQYLSRUSA-N 0 1 379.529 3.620 50 0 GHAAMN CCCN1CCN(CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)CC1 ZINC000022861960 570558442 /nfs/dbraw/zinc/55/84/42/570558442.db2.gz WEHJWORIYSUYAQ-UHFFFAOYSA-N 0 1 378.520 3.781 50 0 GHAAMN CN(C)CCn1cnc2c(c1=N)[C@H](c1ccco1)c1c(ccc3ccccc31)O2 ZINC000005346412 570561430 /nfs/dbraw/zinc/56/14/30/570561430.db2.gz BDYDOCCRCJCIQC-HXUWFJFHSA-N 0 1 386.455 3.956 50 0 GHAAMN O=C(c1cn[nH]c1-c1ccccc1F)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000011664221 570578397 /nfs/dbraw/zinc/57/83/97/570578397.db2.gz PGNFIVAJHJLPTL-UHFFFAOYSA-N 0 1 393.462 3.673 50 0 GHAAMN COc1cc(CN2CCC(n3nccc3NC(=O)CC(C)C)CC2)ccc1F ZINC000011753673 570581081 /nfs/dbraw/zinc/58/10/81/570581081.db2.gz JLZPPSGJNFZCEC-UHFFFAOYSA-N 0 1 388.487 3.853 50 0 GHAAMN CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)cn1 ZINC000011817747 570584790 /nfs/dbraw/zinc/58/47/90/570584790.db2.gz AQOPLHZUVOFLGW-UHFFFAOYSA-N 0 1 395.532 3.877 50 0 GHAAMN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1CCC[C@H](C)C1 ZINC000005499418 570614765 /nfs/dbraw/zinc/61/47/65/570614765.db2.gz GBZFOGVNOLRSEP-STQMWFEESA-N 0 1 375.444 3.543 50 0 GHAAMN CCOc1ccc(N(CC)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 ZINC000225837452 570624220 /nfs/dbraw/zinc/62/42/20/570624220.db2.gz CGJUUFMEBAARRO-UHFFFAOYSA-N 0 1 382.508 3.896 50 0 GHAAMN Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000012300731 570635676 /nfs/dbraw/zinc/63/56/76/570635676.db2.gz ADVBFURVILHFRD-SFHVURJKSA-N 0 1 386.459 3.568 50 0 GHAAMN Cc1nnc(-c2cccc(NC(=O)C3CCN(Cc4ccccn4)CC3)c2)s1 ZINC000012308115 570639847 /nfs/dbraw/zinc/63/98/47/570639847.db2.gz XFLFHDZOYFAVBL-UHFFFAOYSA-N 0 1 393.516 3.759 50 0 GHAAMN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(Cc2cc(C(C)C)n[nH]2)C1 ZINC000012434248 570661701 /nfs/dbraw/zinc/66/17/01/570661701.db2.gz CFDQPNOUSYMIQI-HSZRJFAPSA-N 0 1 399.535 3.930 50 0 GHAAMN COc1c(C)cc(C(=O)[C@H]2CCCN(Cc3ccc(OCCO)cc3)C2)cc1C ZINC000012478431 570674177 /nfs/dbraw/zinc/67/41/77/570674177.db2.gz HLEFHIHJHOIUPX-FQEVSTJZSA-N 0 1 397.515 3.778 50 0 GHAAMN C[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000685940317 570674917 /nfs/dbraw/zinc/67/49/17/570674917.db2.gz DMGHCBGVEVLRBR-NJFGXWQRSA-N 0 1 378.472 3.597 50 0 GHAAMN C[C@@H](NCc1cn(CCC(N)=O)c2ccccc12)c1nc2c(s1)CCCC2 ZINC000055325839 570691366 /nfs/dbraw/zinc/69/13/66/570691366.db2.gz LGIGFYBVIIHRFR-CQSZACIVSA-N 0 1 382.533 3.703 50 0 GHAAMN O=C(Nc1cc(NC(=O)[C@H]2Cc3ccccc3CN2)ccc1Cl)c1ccco1 ZINC000055369082 570692673 /nfs/dbraw/zinc/69/26/73/570692673.db2.gz NGHCTLXQEMAJGR-GOSISDBHSA-N 0 1 395.846 3.838 50 0 GHAAMN O=C(CN1CCC[C@H]1c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012635877 570694101 /nfs/dbraw/zinc/69/41/01/570694101.db2.gz TVYORWMBEHMXEO-SFHVURJKSA-N 0 1 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/nfs/dbraw/zinc/37/79/60/570377960.db2.gz UHCXXAYAOCRRSY-UHFFFAOYSA-N 0 1 379.895 3.624 50 0 GHAAMN CN(C)c1ncc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)s1 ZINC000011954000 570450755 /nfs/dbraw/zinc/45/07/55/570450755.db2.gz BLAOMPKAVJOEBE-HNNXBMFYSA-N 0 1 390.528 3.979 50 0 GHAAMN O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012001133 570453527 /nfs/dbraw/zinc/45/35/27/570453527.db2.gz SUMHAANUMRTBPC-NRFANRHFSA-N 0 1 382.479 3.612 50 0 GHAAMN Cc1c2ccc(C)cc2oc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000028292636 570456709 /nfs/dbraw/zinc/45/67/09/570456709.db2.gz AJLNVIHIAFEHNA-UHFFFAOYSA-N 0 1 383.536 3.730 50 0 GHAAMN Cc1ccc(NC(=O)CC2=NC(=O)C(CC(=O)Nc3ccccc3F)S2)cc1 ZINC000006510210 570462439 /nfs/dbraw/zinc/46/24/39/570462439.db2.gz FVJHAAUQVZVYSH-INIZCTEOSA-N 0 1 399.447 3.532 50 0 GHAAMN Cc1ccc(NC(=O)CC2=NC(=O)[C@H](CC(=O)Nc3ccccc3F)S2)cc1 ZINC000006510210 570462442 /nfs/dbraw/zinc/46/24/42/570462442.db2.gz FVJHAAUQVZVYSH-INIZCTEOSA-N 0 1 399.447 3.532 50 0 GHAAMN CCc1nc2sc([C@H](c3cccc(OC)c3)[N@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690052 570494753 /nfs/dbraw/zinc/49/47/53/570494753.db2.gz SFPWLMHEFAJCJB-DYVFJYSZSA-N 0 1 386.521 3.889 50 0 GHAAMN CCOC(=O)C1=C(CN(CC)CC)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991262 570505348 /nfs/dbraw/zinc/50/53/48/570505348.db2.gz ALSQOXKSFLSATH-FQEVSTJZSA-N 0 1 387.524 3.665 50 0 GHAAMN COc1ccc(C)cc1NC(=O)CCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000033933168 570515018 /nfs/dbraw/zinc/51/50/18/570515018.db2.gz YFLAVLYGMQOPIO-TWGQIWQCSA-N 0 1 393.531 3.663 50 0 GHAAMN COCc1cc(C)nc2sc(C(=O)Nc3ccc4nc(C)[nH]c4c3)c(N)c21 ZINC000006659187 570522941 /nfs/dbraw/zinc/52/29/41/570522941.db2.gz SDLDWVDLONSWIR-UHFFFAOYSA-N 0 1 381.461 3.770 50 0 GHAAMN CC[C@@H](C)NC(=O)CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S ZINC000002973721 570524220 /nfs/dbraw/zinc/52/42/20/570524220.db2.gz IHAKZRRVEJMIIV-SNVBAGLBSA-N 0 1 398.326 3.516 50 0 GHAAMN Cc1cc(OC[C@@H](O)CN2CCN(Cc3ccccc3)CC2)ccc1C(C)C ZINC000021487165 570537773 /nfs/dbraw/zinc/53/77/73/570537773.db2.gz UOCXXVLVSGAGBQ-QFIPXVFZSA-N 0 1 382.548 3.676 50 0 GHAAMN CCc1ccc(NC(=[NH2+])Nc2nc(CSc3ccccn3)cc(=O)[n-]2)cc1 ZINC000009089832 570548299 /nfs/dbraw/zinc/54/82/99/570548299.db2.gz SLPIRABVJGYWDC-UHFFFAOYSA-N 0 1 380.477 3.891 50 0 GHAAMN CN(C)CCn1cnc2c(c1=N)[C@@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000005346975 570561737 /nfs/dbraw/zinc/56/17/37/570561737.db2.gz MNXDBFCWKKDMCG-SFHVURJKSA-N 0 1 396.878 3.569 50 0 GHAAMN CC(C)(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc1 ZINC000006753021 570571835 /nfs/dbraw/zinc/57/18/35/570571835.db2.gz XCGNWYLWYNZTDT-OAQYLSRUSA-N 0 1 391.471 3.617 50 0 GHAAMN O=C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CCN1Cc1ccc(F)cc1 ZINC000011789758 570582935 /nfs/dbraw/zinc/58/29/35/570582935.db2.gz RILSZJYOWDBWDE-UHFFFAOYSA-N 0 1 396.441 3.589 50 0 GHAAMN CSc1ccc(C(=O)[C@H]2CCCN(Cc3ccc(OCCO)cc3)C2)cc1 ZINC000011879749 570591016 /nfs/dbraw/zinc/59/10/16/570591016.db2.gz ZGSUNEXCYOYVBD-IBGZPJMESA-N 0 1 385.529 3.875 50 0 GHAAMN Cc1cc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)[nH]n1 ZINC000011936339 570594242 /nfs/dbraw/zinc/59/42/42/570594242.db2.gz UMZHIEGGKKPTEI-INIZCTEOSA-N 0 1 381.505 3.692 50 0 GHAAMN Cc1cc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cscn4)cc3)C2)n[nH]1 ZINC000011936339 570594243 /nfs/dbraw/zinc/59/42/43/570594243.db2.gz UMZHIEGGKKPTEI-INIZCTEOSA-N 0 1 381.505 3.692 50 0 GHAAMN COc1cc(Cl)cc(CN2CCC[C@H](CCC(=O)NC3CC3)C2)c1OC ZINC000012201429 570624639 /nfs/dbraw/zinc/62/46/39/570624639.db2.gz ZZOILYIZRPEYEA-CQSZACIVSA-N 0 1 380.916 3.628 50 0 GHAAMN Cc1cccc(NC(=S)N[C@@H](C)[C@H](c2ccccc2)N2CCN(C)CC2)c1C ZINC000022928311 570631867 /nfs/dbraw/zinc/63/18/67/570631867.db2.gz YIIQGQGVJVFUGR-SIKLNZKXSA-N 0 1 396.604 3.967 50 0 GHAAMN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN2Cc2cnc[nH]2)cc1 ZINC000012305039 570638057 /nfs/dbraw/zinc/63/80/57/570638057.db2.gz JWLGGDLEBQNAKB-NRFANRHFSA-N 0 1 376.460 3.688 50 0 GHAAMN COc1cc(-c2nc(CN3CCCC[C@@H]3CCNC(C)=O)c(C)o2)ccc1F ZINC000012430708 570659198 /nfs/dbraw/zinc/65/91/98/570659198.db2.gz STGHRSQPTIPZBA-QGZVFWFLSA-N 0 1 389.471 3.678 50 0 GHAAMN Cc1nc2sccn2c1CN1CCC(CO)(CCOc2ccccc2)CC1 ZINC000012446388 570666824 /nfs/dbraw/zinc/66/68/24/570666824.db2.gz ZGMQQHZVNRLLNQ-UHFFFAOYSA-N 0 1 385.533 3.748 50 0 GHAAMN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cc(C)no3)cc2)cc1 ZINC000006887491 570682158 /nfs/dbraw/zinc/68/21/58/570682158.db2.gz SGZQSFYPASEIIU-UHFFFAOYSA-N 0 1 386.429 3.628 50 0 GHAAMN CCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000006887663 570682216 /nfs/dbraw/zinc/68/22/16/570682216.db2.gz GGACKPUCZASBJV-UHFFFAOYSA-N 0 1 388.445 3.858 50 0 GHAAMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cc(Br)ccc1F ZINC000242346904 570689079 /nfs/dbraw/zinc/68/90/79/570689079.db2.gz ZKBWPJJNTSUNOV-UHFFFAOYSA-N 0 1 379.164 3.765 50 0 GHAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)CC1 ZINC000055253971 570689360 /nfs/dbraw/zinc/68/93/60/570689360.db2.gz LUCCKOHUNNJNKW-OAQYLSRUSA-N 0 1 381.495 3.561 50 0 GHAAMN CCCc1cc(C(=O)N(CCc2ccc(OC)cc2)Cc2ccncc2)n[nH]1 ZINC000055271936 570689770 /nfs/dbraw/zinc/68/97/70/570689770.db2.gz MZSJODAEDWEAKT-UHFFFAOYSA-N 0 1 378.476 3.651 50 0 GHAAMN CC(C)Cn1c(=O)cc(O)nc1SCc1ccc(Br)cc1F ZINC000012682311 570697771 /nfs/dbraw/zinc/69/77/71/570697771.db2.gz ZQHQRQUMXNPYSU-UHFFFAOYSA-N 0 1 387.274 3.799 50 0 GHAAMN C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1nc(-c2ccccc2)c[nH]1 ZINC000058161768 570713031 /nfs/dbraw/zinc/71/30/31/570713031.db2.gz LAUOOYAAWLVQRB-QFBILLFUSA-N 0 1 393.491 3.867 50 0 GHAAMN C[C@H](NCc1nc(CNC(=O)c2ccccc2)no1)C12CC3CC(CC(C3)C1)C2 ZINC000058177875 570716414 /nfs/dbraw/zinc/71/64/14/570716414.db2.gz WRIBVFFCKFBQJB-SCUMNGBJSA-N 0 1 394.519 3.694 50 0 GHAAMN C[C@H]1CCN(C(=O)COC(=O)Cc2[nH]nc3ccccc32)c2ccccc2S1 ZINC000058319810 570727059 /nfs/dbraw/zinc/72/70/59/570727059.db2.gz BKNSSNBRKLOUON-AWEZNQCLSA-N 0 1 395.484 3.566 50 0 GHAAMN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000007005156 570736113 /nfs/dbraw/zinc/73/61/13/570736113.db2.gz JFLMZZNNLSLLOY-UHFFFAOYSA-N 0 1 376.409 3.907 50 0 GHAAMN COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000000959118 570739143 /nfs/dbraw/zinc/73/91/43/570739143.db2.gz AJNUVGPFKCLQCX-UHFFFAOYSA-N 0 1 393.409 3.718 50 0 GHAAMN COc1cc(OC)cc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000065394167 570765147 /nfs/dbraw/zinc/76/51/47/570765147.db2.gz DKEIXSGSCLHQMP-UHFFFAOYSA-N 0 1 392.459 3.509 50 0 GHAAMN Cc1ccc2nc(N3CCC(C(=O)NCCc4ccccc4C)CC3)[nH]c2c1 ZINC000033070872 570802480 /nfs/dbraw/zinc/80/24/80/570802480.db2.gz WDBALSLWXCTDBQ-UHFFFAOYSA-N 0 1 376.504 3.755 50 0 GHAAMN CCc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccc(C)cc4[nH]3)C2)cc1 ZINC000033072236 570803433 /nfs/dbraw/zinc/80/34/33/570803433.db2.gz LKIIYLIWUXHEAI-IBGZPJMESA-N 0 1 376.504 3.967 50 0 GHAAMN CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000012508548 570824430 /nfs/dbraw/zinc/82/44/30/570824430.db2.gz UTNMWXVOZXYBTC-UHFFFAOYSA-N 0 1 396.468 3.916 50 0 GHAAMN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1[nH]nc2ccccc21 ZINC000012525266 570830479 /nfs/dbraw/zinc/83/04/79/570830479.db2.gz ZSBIXWRBQHDNKA-UHFFFAOYSA-N 0 1 377.231 3.580 50 0 GHAAMN O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cnccn1 ZINC000012578670 570876875 /nfs/dbraw/zinc/87/68/75/570876875.db2.gz XVJJGCNWANFLLZ-KRWDZBQOSA-N 0 1 397.360 3.891 50 0 GHAAMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(F)ccc1Br ZINC000032911478 570914708 /nfs/dbraw/zinc/91/47/08/570914708.db2.gz GTMRBOBZIOAKDA-MRXNPFEDSA-N 0 1 391.284 3.983 50 0 GHAAMN CC(=O)c1ccc(-c2ccc(C(=O)N3CC(N4CCCC[C@H]4C)C3)cc2)nc1 ZINC000534676938 570923127 /nfs/dbraw/zinc/92/31/27/570923127.db2.gz FAUYSKXVWAATAR-MRXNPFEDSA-N 0 1 377.488 3.650 50 0 GHAAMN CC[C@@H](Sc1nc(Cc2ccc(O)cc2)c(C)[nH]1)C(=O)Nc1cc(C)on1 ZINC000004742075 570956494 /nfs/dbraw/zinc/95/64/94/570956494.db2.gz YXGQFUIVVDZAFI-MRXNPFEDSA-N 0 1 386.477 3.820 50 0 GHAAMN COc1ccc(CCNC(=O)[C@@H](C)N2CCC[C@H]2c2ccsc2)cc1OC ZINC000252452680 570958850 /nfs/dbraw/zinc/95/88/50/570958850.db2.gz VWRYVJUQGLGPGK-QAPCUYQASA-N 0 1 388.533 3.650 50 0 GHAAMN Cc1oc(-c2ccccc2)nc1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000012738886 570980798 /nfs/dbraw/zinc/98/07/98/570980798.db2.gz LXXQQWXLPKLTSA-UHFFFAOYSA-N 0 1 389.499 3.927 50 0 GHAAMN CCn1cnnc1CCNCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072289937 571047731 /nfs/dbraw/zinc/04/77/31/571047731.db2.gz VUYRCDBOSMGQBE-UHFFFAOYSA-N 0 1 381.427 3.773 50 0 GHAAMN CCOC(=O)/C=C/c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 ZINC000029489208 835367922 /nfs/dbraw/zinc/36/79/22/835367922.db2.gz QQZZLYRTFFZSCA-VPFXQZGESA-N 0 1 378.472 3.821 50 0 GHAAMN CCCOc1c(CN2CCC[C@H](c3nc(N(C)C)no3)C2)cccc1OCC ZINC000194927043 836527834 /nfs/dbraw/zinc/52/78/34/836527834.db2.gz SACNMSWCNJWHBR-KRWDZBQOSA-N 0 1 388.512 3.703 50 0 GHAAMN CC(F)(F)C1(c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)CC1 ZINC000888101553 842530065 /nfs/dbraw/zinc/53/00/65/842530065.db2.gz DDGVTOAVIXUMLU-UHFFFAOYSA-N 0 1 396.195 3.971 50 0 GHAAMN CC(C)[C@@H](NCC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(Cl)cc1 ZINC000057387977 862069998 /nfs/dbraw/zinc/06/99/98/862069998.db2.gz YSPKJTVVGOXYGP-LJQANCHMSA-N 0 1 394.924 3.669 50 0 GHAAMN CN(C)[C@H](CNC(=O)CCC(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000057615628 862195050 /nfs/dbraw/zinc/19/50/50/862195050.db2.gz XEKVHPCFROLAOX-HNNXBMFYSA-N 0 1 378.925 3.654 50 0 GHAAMN COc1cccc(N2CCN(CCC(=O)Nc3ccccc3SC)CC2)c1 ZINC000030964306 862426576 /nfs/dbraw/zinc/42/65/76/862426576.db2.gz XLBUDDZWASTDEJ-UHFFFAOYSA-N 0 1 385.533 3.568 50 0 GHAAMN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000040117700 856668791 /nfs/dbraw/zinc/66/87/91/856668791.db2.gz IESIIMVZLSJBHM-UHFFFAOYSA-N 0 1 378.208 3.720 50 0 GHAAMN O=S(=O)(c1ccc(CN2CCC[C@@H]2CCc2ccccc2)o1)N1CCCC1 ZINC000040153652 856685021 /nfs/dbraw/zinc/68/50/21/856685021.db2.gz VVOAWFBEVAZSIS-LJQANCHMSA-N 0 1 388.533 3.661 50 0 GHAAMN O=C(CCn1c(=O)c2ccccc2[nH]c1=S)NC1(c2ccccc2)CCC1 ZINC000041843928 857293900 /nfs/dbraw/zinc/29/39/00/857293900.db2.gz DWHJVPGOKGCYRJ-UHFFFAOYSA-N 0 1 379.485 3.645 50 0 GHAAMN 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O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(F)cc1Br ZINC000032912077 570915020 /nfs/dbraw/zinc/91/50/20/570915020.db2.gz GDRRSNVRKKJLSV-MRXNPFEDSA-N 0 1 391.284 3.983 50 0 GHAAMN COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000023157277 570920219 /nfs/dbraw/zinc/92/02/19/570920219.db2.gz WWATUSHQVSRAIO-IIYDPXPESA-N 0 1 386.521 3.881 50 0 GHAAMN Cc1ccc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1C ZINC000023211947 570980057 /nfs/dbraw/zinc/98/00/57/570980057.db2.gz OEUUHGYSQSRLRQ-HXUWFJFHSA-N 0 1 388.939 3.827 50 0 GHAAMN C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccccc1Cl ZINC000012745393 570988510 /nfs/dbraw/zinc/98/85/10/570988510.db2.gz XTMXYLYLPIFSMT-IAGOWNOFSA-N 0 1 399.922 3.868 50 0 GHAAMN CCN1CCN(c2ccccc2NC(=O)NCCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000045978585 571007776 /nfs/dbraw/zinc/00/77/76/571007776.db2.gz XOTRHSJOCWHTPI-RXVVDRJESA-N 0 1 388.556 3.545 50 0 GHAAMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037458324 571014050 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COc1ccccc1S(=O)(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1 ZINC000066247721 856935278 /nfs/dbraw/zinc/93/52/78/856935278.db2.gz DSOHEQDPJNVPBN-UHFFFAOYSA-N 0 1 377.853 3.644 50 0 GHAAMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 ZINC000009376596 857170249 /nfs/dbraw/zinc/17/02/49/857170249.db2.gz ZCKDWOAODAGQKZ-UHFFFAOYSA-N 0 1 398.484 3.798 50 0 GHAAMN CC(C)CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000009421119 857194636 /nfs/dbraw/zinc/19/46/36/857194636.db2.gz WWIVVDIYTSEGQN-KGLIPLIRSA-N 0 1 392.935 3.554 50 0 GHAAMN Cc1cccn2c(=O)cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCCO4)nc12 ZINC000007989126 862969342 /nfs/dbraw/zinc/96/93/42/862969342.db2.gz YVPNBDBEUQKYQG-LJQANCHMSA-N 0 1 391.471 3.501 50 0 GHAAMN Cc1cc(C)n2nc(C(=O)Nc3nnc(-c4ccc(C(C)C)cc4)s3)nc2n1 ZINC000008040042 863021850 /nfs/dbraw/zinc/02/18/50/863021850.db2.gz JZRFGKNSVNZUKZ-UHFFFAOYSA-N 0 1 393.476 3.635 50 0 GHAAMN O=C(c1cc2cc(Cl)ccn2n1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000375783995 859556722 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Cc1ccc(-c2noc3ncnc(N4CCN(Cc5ccccc5)CC4)c32)cc1 ZINC000021715161 210389682 /nfs/dbraw/zinc/38/96/82/210389682.db2.gz YYELBICEVQDVCE-UHFFFAOYSA-N 0 1 385.471 3.915 50 0 GHAAMN COc1ccccc1N1CCN(CCCNC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000020889923 210366952 /nfs/dbraw/zinc/36/69/52/210366952.db2.gz AWJOTGGDDAIXBT-UHFFFAOYSA-N 0 1 396.535 3.646 50 0 GHAAMN C[C@@H](NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccccc1Cl ZINC000105123252 533072691 /nfs/dbraw/zinc/07/26/91/533072691.db2.gz AFEGMHVVRFRZAW-HZPDHXFCSA-N 0 1 397.910 3.791 50 0 GHAAMN CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2cnc(C)s2)CC1 ZINC000020203185 210320887 /nfs/dbraw/zinc/32/08/87/210320887.db2.gz NAVBUCFMLOIHDT-UHFFFAOYSA-N 0 1 376.497 3.979 50 0 GHAAMN c1nc2sc3c(c2c(N2CCC(CCN4CCOCC4)CC2)n1)CCCC3 ZINC000058133443 136154446 /nfs/dbraw/zinc/15/44/46/136154446.db2.gz JNZVMTYXYBZWAV-UHFFFAOYSA-N 0 1 386.565 3.509 50 0 GHAAMN COCc1cccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCCC2)c1 ZINC000048374845 570250016 /nfs/dbraw/zinc/25/00/16/570250016.db2.gz 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Cc1ccc(Oc2ccccc2NC(=O)CN2CCC[C@@H](c3nc[nH]n3)C2)cc1 ZINC000225464458 570577112 /nfs/dbraw/zinc/57/71/12/570577112.db2.gz PFIIMFPIUQBACM-QGZVFWFLSA-N 0 1 391.475 3.724 50 0 GHAAMN COC(=O)c1ccc(CN2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1 ZINC000011874954 570589788 /nfs/dbraw/zinc/58/97/88/570589788.db2.gz PEHMDOHNNFTFQB-GOSISDBHSA-N 0 1 385.435 3.716 50 0 GHAAMN COc1ccc(NS(=O)(=O)c2ccc(-c3ccno3)cc2OC)cc1Cl ZINC000064979584 570623989 /nfs/dbraw/zinc/62/39/89/570623989.db2.gz PIMXIKYDVWZHLC-UHFFFAOYSA-N 0 1 394.836 3.813 50 0 GHAAMN CCN1CCCC[C@@H]1C(=O)NCc1cccnc1Oc1ccc(C)c(F)c1F ZINC000012304549 570638227 /nfs/dbraw/zinc/63/82/27/570638227.db2.gz PDNSURMXBDZDFZ-MRXNPFEDSA-N 0 1 389.446 3.951 50 0 GHAAMN CCCn1cc(-c2ccnc(NC3CCN(Cc4ccccn4)CC3)n2)c(C)n1 ZINC000048428242 570658292 /nfs/dbraw/zinc/65/82/92/570658292.db2.gz XAMVENVQSLOLLP-UHFFFAOYSA-N 0 1 391.523 3.530 50 0 GHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)N3CCC(c4ccccc4)=N3)n2)cc1 ZINC000005180564 570660425 /nfs/dbraw/zinc/66/04/25/570660425.db2.gz 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/nfs/dbraw/zinc/57/85/80/570578580.db2.gz DOFXMDPYTOLIPO-GOSISDBHSA-N 0 1 377.444 3.615 50 0 GHAAMN O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000012098285 570608175 /nfs/dbraw/zinc/60/81/75/570608175.db2.gz DGUGQVVWBSEFJN-SFHVURJKSA-N 0 1 389.455 3.754 50 0 GHAAMN CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cn(CC)nc2C)CC1 ZINC000012224729 570628651 /nfs/dbraw/zinc/62/86/51/570628651.db2.gz PHFPLVMYNKNHMN-UHFFFAOYSA-N 0 1 399.535 3.826 50 0 GHAAMN CCOC(=O)C1(Cc2ccccc2Cl)CCN(Cc2cc(C)[nH]n2)CC1 ZINC000012301746 570636580 /nfs/dbraw/zinc/63/65/80/570636580.db2.gz BCLPMCKKRNPXQK-UHFFFAOYSA-N 0 1 375.900 3.760 50 0 GHAAMN c1ccc(CC[C@H]2CCCCN2Cc2nc(-c3ccc4c(c3)OCO4)no2)nc1 ZINC000012308608 570640293 /nfs/dbraw/zinc/64/02/93/570640293.db2.gz QAIXIJHESMQMSJ-GOSISDBHSA-N 0 1 392.459 3.848 50 0 GHAAMN Cc1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)n[nH]1 ZINC000012317799 570642218 /nfs/dbraw/zinc/64/22/18/570642218.db2.gz FSVUJCFDGQPGOR-FQEVSTJZSA-N 0 1 391.475 3.899 50 0 GHAAMN O=C(Cc1ccc2c(c1)OCCCO2)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000044920860 570643707 /nfs/dbraw/zinc/64/37/07/570643707.db2.gz UTYOCCNWXHAYJX-IBGZPJMESA-N 0 1 393.443 3.757 50 0 GHAAMN C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000072313891 570652749 /nfs/dbraw/zinc/65/27/49/570652749.db2.gz NUONCDWWIZHTIW-AAEUAGOBSA-N 0 1 392.385 3.814 50 0 GHAAMN CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC(=O)CN2CCCCC2)C1 ZINC000012474273 570673318 /nfs/dbraw/zinc/67/33/18/570673318.db2.gz NNCOZCVAIOSUJY-LJQANCHMSA-N 0 1 384.499 3.627 50 0 GHAAMN CCOC(=O)C[C@H](C1=Cc2ccccc2OC1)c1c(=O)[nH]c2ccccc2c1O ZINC000072325236 570673485 /nfs/dbraw/zinc/67/34/85/570673485.db2.gz ABIWKHIOTVHBFV-QGZVFWFLSA-N 0 1 391.423 3.747 50 0 biogenic GHAAMN COc1cccc(CN2CCC[C@H]2c2ccccn2)c1OCCn1ccnc1 ZINC000055108947 570683616 /nfs/dbraw/zinc/68/36/16/570683616.db2.gz YZDHEXXZNIEIPS-FQEVSTJZSA-N 0 1 378.476 3.703 50 0 GHAAMN CC1(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)CCCCC1 ZINC000055133331 570684611 /nfs/dbraw/zinc/68/46/11/570684611.db2.gz ZEXZVZUUIPTQNC-NRFANRHFSA-N 0 1 387.543 3.909 50 0 GHAAMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)n[nH]1 ZINC000239761744 570684598 /nfs/dbraw/zinc/68/45/98/570684598.db2.gz CKIITWOVBXZUJR-KGLIPLIRSA-N 0 1 397.479 3.792 50 0 GHAAMN Cc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c(C)c1 ZINC000055271286 570689656 /nfs/dbraw/zinc/68/96/56/570689656.db2.gz UDNPSWIJEMFQTJ-QFIPXVFZSA-N 0 1 395.522 3.869 50 0 GHAAMN COc1cc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)ccc1NC(=O)C(C)(C)C ZINC000055326869 570691223 /nfs/dbraw/zinc/69/12/23/570691223.db2.gz SUACUNKQOVAZKF-UHFFFAOYSA-N 0 1 393.447 3.717 50 0 GHAAMN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000036408816 570692159 /nfs/dbraw/zinc/69/21/59/570692159.db2.gz VQRYHCJLMISQRB-OALUTQOASA-N 0 1 379.504 3.981 50 0 GHAAMN CCc1nnc(-c2c(C)c(S(=O)(=O)Nc3ccc(C)c(F)c3)c(C)n2C)o1 ZINC000065186517 570724742 /nfs/dbraw/zinc/72/47/42/570724742.db2.gz FCQMLXOIECGDOY-UHFFFAOYSA-N 0 1 392.456 3.503 50 0 GHAAMN CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCCO4)[nH]c2c1 ZINC000005667377 570735860 /nfs/dbraw/zinc/73/58/60/570735860.db2.gz MKFJHXYRLWTWHR-UHFFFAOYSA-N 0 1 399.472 3.854 50 0 GHAAMN CCOC(=O)c1c(C)n(C)c2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc21 ZINC000000980078 570742890 /nfs/dbraw/zinc/74/28/90/570742890.db2.gz FUKIJARIDDYBFO-UHFFFAOYSA-N 0 1 399.287 3.681 50 0 GHAAMN CCc1noc(-c2cccnc2N2CCCN(Cc3ccccc3F)CC2)n1 ZINC000065257899 570758937 /nfs/dbraw/zinc/75/89/37/570758937.db2.gz CJEVYIVGPXDFKX-UHFFFAOYSA-N 0 1 381.455 3.545 50 0 GHAAMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 ZINC000007051211 570770726 /nfs/dbraw/zinc/77/07/26/570770726.db2.gz MBWLVOGXKDDXBZ-ZDUSSCGKSA-N 0 1 376.478 3.968 50 0 GHAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000007055707 570774958 /nfs/dbraw/zinc/77/49/58/570774958.db2.gz ZXYDZKKPDDNNMD-UHFFFAOYSA-N 0 1 391.445 3.546 50 0 GHAAMN Cc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000032754403 570797340 /nfs/dbraw/zinc/79/73/40/570797340.db2.gz LXIMRLMMRNTMLW-QFIPXVFZSA-N 0 1 379.504 3.607 50 0 GHAAMN Cc1ccc2nc(N3CCC[C@H](C(=O)NCCCc4ccccc4)C3)[nH]c2c1 ZINC000033072003 570803482 /nfs/dbraw/zinc/80/34/82/570803482.db2.gz CZPFFQDEYHXJPM-IBGZPJMESA-N 0 1 376.504 3.837 50 0 GHAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)NCC2CCCCC2)n1 ZINC000005996232 570812687 /nfs/dbraw/zinc/81/26/87/570812687.db2.gz NLCMKKNZINNTQW-UHFFFAOYSA-N 0 1 394.928 3.922 50 0 GHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(O)cc2)N1Cc1ccncc1 ZINC000006040038 570816531 /nfs/dbraw/zinc/81/65/31/570816531.db2.gz SACHOUCCBQVCNA-QFIPXVFZSA-N 0 1 398.422 3.628 50 0 GHAAMN CCc1ccc(-c2n[nH]c(SCc3cc(=O)n4c(C)cccc4n3)n2)cc1 ZINC000007294395 570826789 /nfs/dbraw/zinc/82/67/89/570826789.db2.gz RBJJKSBVKZNQRA-UHFFFAOYSA-N 0 1 377.473 3.643 50 0 GHAAMN Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccc(-n4cncn4)cc3)n[nH]2)cc1 ZINC000014526307 570847051 /nfs/dbraw/zinc/84/70/51/570847051.db2.gz MOKAJEPMIQRPKU-MRXNPFEDSA-N 0 1 386.459 3.799 50 0 GHAAMN C[C@@H]1CN(C(=O)Nc2ccc([S@](C)=O)cc2)[C@H](C)CN1Cc1ccccc1 ZINC000170591236 570849904 /nfs/dbraw/zinc/84/99/04/570849904.db2.gz IJCFERMCMGJBOB-YJRQDOMCSA-N 0 1 385.533 3.551 50 0 GHAAMN CC(C)c1ccc(NC(=O)[C@H](C)N2CCN(CCc3ccccc3)CC2)cc1 ZINC000032853370 570854354 /nfs/dbraw/zinc/85/43/54/570854354.db2.gz AIVKXYAKLVOCGS-FQEVSTJZSA-N 0 1 379.548 3.997 50 0 GHAAMN Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)nn1 ZINC000044213782 570871179 /nfs/dbraw/zinc/87/11/79/570871179.db2.gz VTZXBFJUMGFVNH-UHFFFAOYSA-N 0 1 377.372 3.656 50 0 GHAAMN O=C([C@@H](c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000012578487 570876816 /nfs/dbraw/zinc/87/68/16/570876816.db2.gz PCWMSKBMADUVAS-NFBKMPQASA-N 0 1 392.499 3.958 50 0 GHAAMN O=C(Nc1ccc(OCc2ccccc2F)cc1)c1nnc2ccccc2c1O ZINC000170625176 570882104 /nfs/dbraw/zinc/88/21/04/570882104.db2.gz HSRDUVQWTATRCW-UHFFFAOYSA-N 0 1 389.386 3.894 50 0 GHAAMN CCOc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4)CC3)n[nH]2)cc1 ZINC000051315716 570907117 /nfs/dbraw/zinc/90/71/17/570907117.db2.gz DAQZOIWVKAVAPZ-UHFFFAOYSA-N 0 1 390.487 3.746 50 0 GHAAMN CCc1ccc2c(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc(=O)oc2c1 ZINC000047539403 570963495 /nfs/dbraw/zinc/96/34/95/570963495.db2.gz YVJQBOABDBALST-UHFFFAOYSA-N 0 1 386.492 3.845 50 0 GHAAMN CCCN(Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000046032212 571013609 /nfs/dbraw/zinc/01/36/09/571013609.db2.gz IHPCUPADIOKYPS-UHFFFAOYSA-N 0 1 388.512 4.000 50 0 GHAAMN CCOc1ccccc1NC(=O)N1CC[C@@H](Cc2nnc(-c3ccccc3)[nH]2)C1 ZINC000257190702 838940807 /nfs/dbraw/zinc/94/08/07/838940807.db2.gz OXHZJKSPMOUHAI-INIZCTEOSA-N 0 1 391.475 3.967 50 0 GHAAMN O=C1N(C2CCN(Cc3ccccn3)CC2)[C@H](c2ccncc2)C12CCCCC2 ZINC000257195389 838992271 /nfs/dbraw/zinc/99/22/71/838992271.db2.gz WAGJSMCBFLLRPQ-JOCHJYFZSA-N 0 1 390.531 3.975 50 0 GHAAMN COc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000055650912 861280029 /nfs/dbraw/zinc/28/00/29/861280029.db2.gz LEFRKKDEPHCJPT-UHFFFAOYSA-N 0 1 388.489 3.512 50 0 GHAAMN COc1ccc([C@H](CNCc2c(F)cccc2Cl)N2CCOCC2)cc1 ZINC000057681592 862218507 /nfs/dbraw/zinc/21/85/07/862218507.db2.gz IEQJFNLIUIGWQK-FQEVSTJZSA-N 0 1 378.875 3.651 50 0 GHAAMN CCC(=O)Nc1cc(Cl)ccc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000822535004 862739106 /nfs/dbraw/zinc/73/91/06/862739106.db2.gz OJDAJEPBGMAUBM-QGZVFWFLSA-N 0 1 389.883 3.848 50 0 GHAAMN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000008706824 856324121 /nfs/dbraw/zinc/32/41/21/856324121.db2.gz WSUWIGJXLICAOJ-GOSISDBHSA-N 0 1 381.520 3.969 50 0 GHAAMN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cccc3cn[nH]c32)C1 ZINC000040091132 856659836 /nfs/dbraw/zinc/65/98/36/856659836.db2.gz RLVGAAXELGPVRD-HUUCEWRRSA-N 0 1 376.460 3.933 50 0 GHAAMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000009060427 856739516 /nfs/dbraw/zinc/73/95/16/856739516.db2.gz VHPSUDRWULOSHT-SNVBAGLBSA-N 0 1 391.262 3.515 50 0 GHAAMN O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)N1CCCCC1 ZINC000009547646 857228620 /nfs/dbraw/zinc/22/86/20/857228620.db2.gz SPIBJZIAVHKMSM-UHFFFAOYSA-N 0 1 379.412 3.557 50 0 biogenic GHAAMN O=C(CN1CCCCC1)N(Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000011785467 857355806 /nfs/dbraw/zinc/35/58/06/857355806.db2.gz WUIHTINTCSOGGR-UHFFFAOYSA-N 0 1 379.504 3.638 50 0 GHAAMN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3F)N3CCC[C@@]23C1=O ZINC000011817549 857428510 /nfs/dbraw/zinc/42/85/10/857428510.db2.gz YTMYNZDNJJIQIK-NYDSKATKSA-N 0 1 380.463 3.772 50 0 GHAAMN O=C(c1ccccc1OC[C@@H]1CCCN(Cc2ccccn2)C1)N1CCCC1 ZINC000169765229 859746083 /nfs/dbraw/zinc/74/60/83/859746083.db2.gz MENBGOYGZQOIFV-LJQANCHMSA-N 0 1 379.504 3.609 50 0 GHAAMN O=C(c1cccc2nccn21)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000095993282 860737489 /nfs/dbraw/zinc/73/74/89/860737489.db2.gz DTUOIAZCIDFWMZ-MRXNPFEDSA-N 0 1 378.480 3.520 50 0 GHAAMN CCCCc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](c3ccc(F)c(OC)c3)O2)[nH]1 ZINC000065387071 868898376 /nfs/dbraw/zinc/89/83/76/868898376.db2.gz HSUFRRVPIUZRJA-ZTNFWEORSA-N 0 1 389.471 3.998 50 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50 0 GHAAMN O=C(c1cc(COc2ccccc2F)n[nH]1)N1CCCC[C@@H]1c1cccnc1 ZINC000012306217 570638643 /nfs/dbraw/zinc/63/86/43/570638643.db2.gz GHJSMQAXFVHJNR-LJQANCHMSA-N 0 1 380.423 3.890 50 0 GHAAMN Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)CC1 ZINC000012308073 570639737 /nfs/dbraw/zinc/63/97/37/570639737.db2.gz RRXPMNNEVYBTQE-JOCHJYFZSA-N 0 1 381.564 3.999 50 0 GHAAMN Cc1cc(CN(C)C(=O)C[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)n[nH]1 ZINC000012316647 570641292 /nfs/dbraw/zinc/64/12/92/570641292.db2.gz PFCVFNZYGNRXAP-IBGZPJMESA-N 0 1 377.444 3.627 50 0 GHAAMN COc1ccc(N[C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)cc1OC ZINC000012318342 570642124 /nfs/dbraw/zinc/64/21/24/570642124.db2.gz RYVMKYJLBKWRFO-MRXNPFEDSA-N 0 1 384.505 3.785 50 0 GHAAMN COc1ccc(-c2n[nH]cc2CN(Cc2c(C)nn(C)c2C)C(C)C)c(OC)c1 ZINC000012446544 570666532 /nfs/dbraw/zinc/66/65/32/570666532.db2.gz GTIFNHJQPKYKAJ-UHFFFAOYSA-N 0 1 397.523 3.855 50 0 GHAAMN CCOC(=O)C1CCN(C[C@@H](O)COc2ccc3oc4ccccc4c3c2)CC1 ZINC000005603944 570667997 /nfs/dbraw/zinc/66/79/97/570667997.db2.gz GBLJEWRGEQBGAN-QGZVFWFLSA-N 0 1 397.471 3.601 50 0 GHAAMN FC(F)(F)c1nc2[nH]cnc2c(NCc2ccc(N3CCCCCC3)nc2)n1 ZINC000241965501 570688104 /nfs/dbraw/zinc/68/81/04/570688104.db2.gz UTIPWICUVPQHAM-UHFFFAOYSA-N 0 1 391.401 3.759 50 0 GHAAMN O=c1cc(CN2CCC[C@@H]2c2cccs2)nc2ccc(Br)cn12 ZINC000058169908 570714809 /nfs/dbraw/zinc/71/48/09/570714809.db2.gz DPIHSKRDLATMBA-CQSZACIVSA-N 0 1 390.306 3.856 50 0 GHAAMN CN(C)[C@H](CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)c1cccc(F)c1 ZINC000032674759 570728607 /nfs/dbraw/zinc/72/86/07/570728607.db2.gz DTSHQCQNFFZYFS-JOCHJYFZSA-N 0 1 392.478 3.922 50 0 GHAAMN COc1cc(C)c(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1OC ZINC000007050700 570764686 /nfs/dbraw/zinc/76/46/86/570764686.db2.gz LEKCGSFDPNBYTI-UHFFFAOYSA-N 0 1 375.368 3.832 50 0 GHAAMN C[C@H](NC(=O)Nc1cccc(Cl)c1)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000022031475 570778192 /nfs/dbraw/zinc/77/81/92/570778192.db2.gz LJIDKAQCRUFBLE-OXJNMPFZSA-N 0 1 386.927 3.839 50 0 GHAAMN O=C(NCCc1cccs1)[C@@H]1CCCN(c2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033071605 570802865 /nfs/dbraw/zinc/80/28/65/570802865.db2.gz GLGUZKDVQVWSGO-CYBMUJFWSA-N 0 1 388.924 3.853 50 0 GHAAMN Cc1[nH]c(SCc2cc(=O)n3cc(C)ccc3n2)nc1Cc1ccccc1 ZINC000004492427 570809636 /nfs/dbraw/zinc/80/96/36/570809636.db2.gz KVJJETFZGAITFN-UHFFFAOYSA-N 0 1 376.485 3.918 50 0 GHAAMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)N1CCCCC1 ZINC000005985640 570811804 /nfs/dbraw/zinc/81/18/04/570811804.db2.gz NHTIGKILXKSQRW-UHFFFAOYSA-N 0 1 378.881 3.767 50 0 GHAAMN CCOC(=O)C1C(COc2ccc(F)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000004689368 570834926 /nfs/dbraw/zinc/83/49/26/570834926.db2.gz JRCPRGUGVNADEF-FQEVSTJZSA-N 0 1 398.434 3.693 50 0 GHAAMN CCOc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)ccc1OCC(C)C ZINC000012535216 570835106 /nfs/dbraw/zinc/83/51/06/570835106.db2.gz KHMCKIJKAIWVCR-IBGZPJMESA-N 0 1 379.464 3.566 50 0 GHAAMN COc1ccc(N2C(=N)S[C@H](CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000170623880 570881799 /nfs/dbraw/zinc/88/17/99/570881799.db2.gz SGZSSJIINPVKEF-QGZVFWFLSA-N 0 1 383.473 3.724 50 0 GHAAMN COc1ccc(OC)c([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c1 ZINC000004555307 570882096 /nfs/dbraw/zinc/88/20/96/570882096.db2.gz WPFNSCVYCIURTH-SFHVURJKSA-N 0 1 387.505 3.961 50 0 GHAAMN O=C(c1ccc(Br)cc1)N1CCCN(Cc2cccs2)CC1 ZINC000032914664 570924989 /nfs/dbraw/zinc/92/49/89/570924989.db2.gz VZNOJIDKKQOYPI-UHFFFAOYSA-N 0 1 379.323 3.859 50 0 GHAAMN COc1cccc(CN=Nc2nc3ccccc3c(=O)n2-c2ccccc2)c1O ZINC000254480076 570926145 /nfs/dbraw/zinc/92/61/45/570926145.db2.gz RIBVYXRIQNEASU-UHFFFAOYSA-N 0 1 386.411 3.546 50 0 GHAAMN COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Br ZINC000019537224 570927891 /nfs/dbraw/zinc/92/78/91/570927891.db2.gz PMUSFRUTSZUBBU-UHFFFAOYSA-N 0 1 375.310 3.776 50 0 GHAAMN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(C)c1 ZINC000012789535 570948246 /nfs/dbraw/zinc/94/82/46/570948246.db2.gz GSKKRJJBXKWQFI-RBUKOAKNSA-N 0 1 379.504 3.981 50 0 GHAAMN Cc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000004478813 570966687 /nfs/dbraw/zinc/96/66/87/570966687.db2.gz PAVGXWFYKIAEFZ-UHFFFAOYSA-N 0 1 397.500 3.584 50 0 GHAAMN C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)N1CCc2ccccc2C1 ZINC000012735023 570977330 /nfs/dbraw/zinc/97/73/30/570977330.db2.gz ZCDUCMNTHAOASB-HNNXBMFYSA-N 0 1 384.549 3.993 50 0 GHAAMN C[C@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)N1CCc2ccccc2C1 ZINC000012735023 570977331 /nfs/dbraw/zinc/97/73/31/570977331.db2.gz ZCDUCMNTHAOASB-HNNXBMFYSA-N 0 1 384.549 3.993 50 0 GHAAMN CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2 ZINC000019625437 571021484 /nfs/dbraw/zinc/02/14/84/571021484.db2.gz LVYCVAIYUMWUAC-UHFFFAOYSA-N 0 1 375.324 3.598 50 0 GHAAMN COc1ccc(-c2cc(-c3ccccc3)nc(N3CCN(C)CC3)n2)cc1OC ZINC000022022951 837499315 /nfs/dbraw/zinc/49/93/15/837499315.db2.gz CTNNBBLVXQAVKO-UHFFFAOYSA-N 0 1 390.487 3.580 50 0 GHAAMN Cc1cnc(C2CCC2)n1C[C@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000581807623 837681810 /nfs/dbraw/zinc/68/18/10/837681810.db2.gz KVEIZINZZKCJAZ-FQEVSTJZSA-N 0 1 381.520 3.914 50 0 GHAAMN CCOc1cccc(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)c1OC(F)F ZINC000194927103 836527892 /nfs/dbraw/zinc/52/78/92/836527892.db2.gz XRXNQDHBMDCXSN-CQSZACIVSA-N 0 1 396.438 3.515 50 0 GHAAMN Cc1cccc(OCCc2noc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000257189435 838930460 /nfs/dbraw/zinc/93/04/60/838930460.db2.gz ISERTXYFKHHSLD-GOSISDBHSA-N 0 1 378.476 3.774 50 0 GHAAMN Cc1ccc(CN2CCCN(C(=O)c3ccccc3)[C@H](c3nc(C)no3)C2)s1 ZINC000675022510 840922424 /nfs/dbraw/zinc/92/24/24/840922424.db2.gz OPYFGUPORYLXDI-IBGZPJMESA-N 0 1 396.516 3.837 50 0 GHAAMN O=C(Cc1csc(-c2ccccc2)n1)NC[C@H](c1ccco1)N1CCCC1 ZINC000027332716 841388701 /nfs/dbraw/zinc/38/87/01/841388701.db2.gz VYUFRAOEHVZGKC-GOSISDBHSA-N 0 1 381.501 3.899 50 0 GHAAMN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000057452174 862103732 /nfs/dbraw/zinc/10/37/32/862103732.db2.gz OIUGKDHCZVGRGH-JKSUJKDBSA-N 0 1 387.911 3.785 50 0 GHAAMN C[C@@H](NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccc(Cl)cc1 ZINC000057604092 862189848 /nfs/dbraw/zinc/18/98/48/862189848.db2.gz RQNUVKIMFHIAMP-LLVKDONJSA-N 0 1 391.924 3.669 50 0 GHAAMN COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000003419392 862396303 /nfs/dbraw/zinc/39/63/03/862396303.db2.gz ZACNQNTTXMXUJJ-UHFFFAOYSA-N 0 1 376.478 3.752 50 0 GHAAMN COc1ccc(-c2n[nH]c(-c3nn4c(nnc4C(C)C)s3)c2C)c(OC)c1 ZINC000031809306 862701313 /nfs/dbraw/zinc/70/13/13/862701313.db2.gz BDIJRQAXECCRSK-UHFFFAOYSA-N 0 1 384.465 3.692 50 0 GHAAMN COc1ccc(NC(=O)CSc2nc(-c3cccs3)n[nH]2)cc1Cl ZINC000008231000 856073553 /nfs/dbraw/zinc/07/35/53/856073553.db2.gz WDUDFHBUWPLRPM-UHFFFAOYSA-N 0 1 380.882 3.926 50 0 GHAAMN CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000008484029 856234238 /nfs/dbraw/zinc/23/42/38/856234238.db2.gz YOJMZVIPAKSVAT-UHFFFAOYSA-N 0 1 380.473 3.968 50 0 GHAAMN O=C(CSc1nc(-c2cccs2)n[nH]1)N(Cc1ccccc1F)C1CC1 ZINC000008528028 856248670 /nfs/dbraw/zinc/24/86/70/856248670.db2.gz DKPKNRYJWXOAFU-UHFFFAOYSA-N 0 1 388.493 3.956 50 0 GHAAMN Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)n[nH]2)c(O)c1 ZINC000008845690 856383418 /nfs/dbraw/zinc/38/34/18/856383418.db2.gz ZALAQBJBEKSMLP-UHFFFAOYSA-N 0 1 396.878 3.707 50 0 GHAAMN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1)c1ccco1 ZINC000032098228 862810704 /nfs/dbraw/zinc/81/07/04/862810704.db2.gz UWYVGLYKJSMRRU-UHFFFAOYSA-N 0 1 376.821 3.986 50 0 GHAAMN Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(C)cc1-c1nnc(C2CC2)[nH]1 ZINC000040150974 856683676 /nfs/dbraw/zinc/68/36/76/856683676.db2.gz LJHKNULWIYFFJY-UHFFFAOYSA-N 0 1 378.480 3.579 50 0 GHAAMN Cc1ccc(S(=O)(=O)c2ccc(CN(C[C@H]3CCOC3)C3CC3)cc2)cc1 ZINC000040154183 856684910 /nfs/dbraw/zinc/68/49/10/856684910.db2.gz KWOSWERKBMBQJO-LJQANCHMSA-N 0 1 385.529 3.829 50 0 GHAAMN Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000009009718 856697534 /nfs/dbraw/zinc/69/75/34/856697534.db2.gz RKYWSOLGBFAISM-QFIPXVFZSA-N 0 1 377.444 3.714 50 0 GHAAMN Cc1cccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(F)cc3)c2)c1C ZINC000009151974 856910927 /nfs/dbraw/zinc/91/09/27/856910927.db2.gz SPVGJTVMPMEGIX-UHFFFAOYSA-N 0 1 399.447 3.891 50 0 GHAAMN CC(C)CCC[C@@H](C)NC(=O)C1CCN(c2nc(Cl)nc3[nH]cnc32)CC1 ZINC000009421359 857194866 /nfs/dbraw/zinc/19/48/66/857194866.db2.gz ZBSQSVMTLKUKFT-CYBMUJFWSA-N 0 1 392.935 3.554 50 0 GHAAMN Fc1ccc(Br)cc1CNCc1ccc(Cn2cncn2)cc1 ZINC000042202706 857362565 /nfs/dbraw/zinc/36/25/65/857362565.db2.gz SQSCZKBFZFGDAJ-UHFFFAOYSA-N 0 1 375.245 3.518 50 0 GHAAMN Cn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000009942281 857380532 /nfs/dbraw/zinc/38/05/32/857380532.db2.gz MPLQRUKHEYZZMH-UHFFFAOYSA-N 0 1 392.503 3.967 50 0 GHAAMN Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN1CCC[C@@H]1c1ccccc1 ZINC000010340585 857442860 /nfs/dbraw/zinc/44/28/60/857442860.db2.gz OJKXLLZVFWRYDI-HXUWFJFHSA-N 0 1 379.504 3.537 50 0 GHAAMN O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3cnn(-c4cccc(F)c4)c3)N3CCC[C@@]123 ZINC000011951515 858273725 /nfs/dbraw/zinc/27/37/25/858273725.db2.gz MOSVNNOYIUMEBV-HYVJGQCMSA-N 0 1 394.494 3.692 50 0 GHAAMN 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GHAAMN O=S1(=O)CCC[C@H](CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)C1 ZINC000367082161 884655443 /nfs/dbraw/zinc/65/54/43/884655443.db2.gz YGYKPPWDCAILCJ-CYBMUJFWSA-N 0 1 398.981 3.954 50 0 GHAAMN Cn1cccc1-c1cc(C(=O)Nc2ccc(N3CCCC3)c3ncccc23)[nH]n1 ZINC000952871952 904635564 /nfs/dbraw/zinc/63/55/64/904635564.db2.gz DOQHODHVZMRUOM-UHFFFAOYSA-N 0 1 386.459 3.816 50 0 GHAAMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000952961838 904640345 /nfs/dbraw/zinc/64/03/45/904640345.db2.gz NBWHQNHHWGZXSV-SJORKVTESA-N 0 1 395.890 3.968 50 0 GHAAMN Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)CC[C@@H](C)N2CCOCC2)c1 ZINC000952975937 904654774 /nfs/dbraw/zinc/65/47/74/904654774.db2.gz DEWWXOZQHUTNBE-GOSISDBHSA-N 0 1 395.503 3.687 50 0 GHAAMN CCNC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)o2)c(C)c1 ZINC000952975529 904655038 /nfs/dbraw/zinc/65/50/38/904655038.db2.gz JEFBGPHCCBGDAS-UHFFFAOYSA-N 0 1 383.492 3.822 50 0 GHAAMN O=C(CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1)Nc1ccccn1 ZINC000018129532 210214343 /nfs/dbraw/zinc/21/43/43/210214343.db2.gz YRTXOCLIMBQUBY-UHFFFAOYSA-N 0 1 380.260 3.904 50 0 GHAAMN CCc1ccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)N2)cc1 ZINC000015826867 210172574 /nfs/dbraw/zinc/17/25/74/210172574.db2.gz DJNFBKDGYDOMKJ-AWEZNQCLSA-N 0 1 385.489 3.626 50 0 GHAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000015730519 210165753 /nfs/dbraw/zinc/16/57/53/210165753.db2.gz BTYFGBUYQGXDHA-LBPRGKRZSA-N 0 1 392.502 3.627 50 0 GHAAMN COc1ccc(NC(=O)CSc2n[nH]c(CCC3CCCC3)n2)c(OC)c1 ZINC000014093478 210103533 /nfs/dbraw/zinc/10/35/33/210103533.db2.gz NGFPZFORXQUJIK-UHFFFAOYSA-N 0 1 390.509 3.676 50 0 GHAAMN COc1ccc(NC(=O)CSc2nc(CCC3CCCC3)n[nH]2)c(OC)c1 ZINC000014093478 210103537 /nfs/dbraw/zinc/10/35/37/210103537.db2.gz NGFPZFORXQUJIK-UHFFFAOYSA-N 0 1 390.509 3.676 50 0 GHAAMN COc1cccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)c1 ZINC000013593207 210070487 /nfs/dbraw/zinc/07/04/87/210070487.db2.gz HVVHDNYBQNECKR-IBGZPJMESA-N 0 1 375.472 3.976 50 0 GHAAMN CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000013595616 210070498 /nfs/dbraw/zinc/07/04/98/210070498.db2.gz QFPJGSDVUGMVII-QHCPKHFHSA-N 0 1 395.503 3.624 50 0 GHAAMN COc1ccccc1[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)N1CCCC1 ZINC000013009237 210045750 /nfs/dbraw/zinc/04/57/50/210045750.db2.gz FPZQQLKLRGQRGH-WIYYLYMNSA-N 0 1 382.529 3.665 50 0 GHAAMN Cc1ccccc1C=Cc1n[nH]c(SCC(=O)NCc2ccc(F)cc2)n1 ZINC000012844914 210016106 /nfs/dbraw/zinc/01/61/06/210016106.db2.gz UEZVMJFXSQKKIS-DHZHZOJOSA-N 0 1 382.464 3.831 50 0 GHAAMN CCOc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)N(C)C)cc1 ZINC000010335570 209332123 /nfs/dbraw/zinc/33/21/23/209332123.db2.gz HXTDXNPXHSUIDW-QFIPXVFZSA-N 0 1 398.528 3.820 50 0 GHAAMN O=C(Nc1ccc(F)cc1)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccc1 ZINC000057958649 212061469 /nfs/dbraw/zinc/06/14/69/212061469.db2.gz JQRGRKKUIOSSJT-ROUUACIJSA-N 0 1 395.400 3.732 50 0 GHAAMN O=c1oc(-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc2ccccc21 ZINC000100384298 211386896 /nfs/dbraw/zinc/38/68/96/211386896.db2.gz ZKFSJQDHHGMGOY-UHFFFAOYSA-N 0 1 396.399 3.795 50 0 GHAAMN COc1cc(NS(=O)(=O)c2cc(-c3cc(C)no3)sc2C)cc(OC)c1 ZINC000096323456 211334279 /nfs/dbraw/zinc/33/42/79/211334279.db2.gz HRCLTZIAHNLICT-UHFFFAOYSA-N 0 1 394.474 3.838 50 0 GHAAMN Cc1[nH]c(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1-c1nnc(C2CC2)o1 ZINC000096379657 211338737 /nfs/dbraw/zinc/33/87/37/211338737.db2.gz ZJSOUHQAAGRXPG-UHFFFAOYSA-N 0 1 390.440 3.807 50 0 GHAAMN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3CCc3ncc[nH]3)cc2)c1 ZINC000095529062 211275726 /nfs/dbraw/zinc/27/57/26/211275726.db2.gz OXIIZDVPFXTYHP-NRFANRHFSA-N 0 1 390.487 3.731 50 0 GHAAMN COc1ccccc1-c1n[nH]c(NC(=O)c2cc(C(C)C)nc3onc(C)c32)n1 ZINC000095474658 211246801 /nfs/dbraw/zinc/24/68/01/211246801.db2.gz OMONSBGDSFGZQD-UHFFFAOYSA-N 0 1 392.419 3.701 50 0 GHAAMN O=C(c1cc(=O)c2ccccc2o1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095389438 211236437 /nfs/dbraw/zinc/23/64/37/211236437.db2.gz AMGWXPFTVIKWHB-RBUKOAKNSA-N 0 1 388.467 3.530 50 0 GHAAMN Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2C(=O)CCc2ccc(C)cc2)C1 ZINC000091707743 211203767 /nfs/dbraw/zinc/20/37/67/211203767.db2.gz VVIIFBODWYVHFL-LEWJYISDSA-N 0 1 381.520 3.655 50 0 GHAAMN O=C(c1cccs1)[C@H]1CCCN(C(=O)c2cc(-c3ccc(O)cc3)[nH]n2)C1 ZINC000091594843 211196960 /nfs/dbraw/zinc/19/69/60/211196960.db2.gz GKGRSHXTQGIUKO-AWEZNQCLSA-N 0 1 381.457 3.579 50 0 GHAAMN COc1cccc([C@H](O)CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000089469657 211181812 /nfs/dbraw/zinc/18/18/12/211181812.db2.gz HQKSSBGLGXFBHL-BHIYHBOVSA-N 0 1 381.394 3.555 50 0 GHAAMN Cc1ccc2nc(CN3CCC4(CC3)Nc3ccccc3NC4=O)[nH]c2c1C ZINC000082147906 211161082 /nfs/dbraw/zinc/16/10/82/211161082.db2.gz SSSJEHNNFFHWKN-UHFFFAOYSA-N 0 1 375.476 3.579 50 0 GHAAMN Cc1ccc(-c2ccc(C[N@@H+]3CCCn4nc(CCC(=O)[O-])cc4C3)o2)cc1 ZINC000072419307 211116614 /nfs/dbraw/zinc/11/66/14/211116614.db2.gz DGBBMSMTTXTPKK-UHFFFAOYSA-N 0 1 379.460 3.875 50 0 GHAAMN Cc1ccc(-c2ccc(C[N@H+]3CCCn4nc(CCC(=O)[O-])cc4C3)o2)cc1 ZINC000072419307 211116617 /nfs/dbraw/zinc/11/66/17/211116617.db2.gz DGBBMSMTTXTPKK-UHFFFAOYSA-N 0 1 379.460 3.875 50 0 GHAAMN COc1ccc(CC[C@H](C)Nc2nc(-c3cccnc3)nc3c2CNC3)cc1 ZINC000072140050 211073064 /nfs/dbraw/zinc/07/30/64/211073064.db2.gz YGRSBHMUWHITIH-HNNXBMFYSA-N 0 1 375.476 3.584 50 0 GHAAMN O=C([O-])[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000071755110 211059048 /nfs/dbraw/zinc/05/90/48/211059048.db2.gz QUBKVKLVPOZJFK-HOTGVXAUSA-N 0 1 396.418 3.733 50 0 GHAAMN CC(C)[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)CCCN1Cc1ccc(F)cc1 ZINC000071439367 211049856 /nfs/dbraw/zinc/04/98/56/211049856.db2.gz GWVZFJCYSULCFS-NRFANRHFSA-N 0 1 384.499 3.799 50 0 GHAAMN Cc1ccc(NC(=O)[C@@H](C)N2CCC(c3nnc4ccccn43)CC2)c(C)c1 ZINC000070754351 211040030 /nfs/dbraw/zinc/04/00/30/211040030.db2.gz FFTNDPGZGOTEAY-QGZVFWFLSA-N 0 1 377.492 3.553 50 0 GHAAMN C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1CC[C@H](c2ccccc2)C1 ZINC000069897084 211040111 /nfs/dbraw/zinc/04/01/11/211040111.db2.gz VCKKKTRHMMVENC-HKUYNNGSSA-N 0 1 377.488 3.630 50 0 GHAAMN C[C@@H](C(=O)Nc1ccccc1N1CCCC1=O)N1CC[C@H](c2ccccc2)C1 ZINC000069878262 211039543 /nfs/dbraw/zinc/03/95/43/211039543.db2.gz RQCCLMWBRSGSHR-HKUYNNGSSA-N 0 1 377.488 3.630 50 0 GHAAMN CCCc1ncncc1C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067967872 211031348 /nfs/dbraw/zinc/03/13/48/211031348.db2.gz QJBGIGYLUJBAGW-UHFFFAOYSA-N 0 1 393.466 3.978 50 0 GHAAMN Cc1noc(-c2ccc(C(=O)N=c3[nH]c4ccccc4n3C(C)(C)C)cc2)n1 ZINC000068835676 211032989 /nfs/dbraw/zinc/03/29/89/211032989.db2.gz AZWCYDYXQGVQJZ-UHFFFAOYSA-N 0 1 375.432 3.824 50 0 GHAAMN CCCc1n[nH]cc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000067790533 211021577 /nfs/dbraw/zinc/02/15/77/211021577.db2.gz OEXYEADENNZCIR-HNNXBMFYSA-N 0 1 381.455 3.911 50 0 GHAAMN CCCc1n[nH]cc1C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000067790535 211020848 /nfs/dbraw/zinc/02/08/48/211020848.db2.gz OEXYEADENNZCIR-OAHLLOKOSA-N 0 1 381.455 3.911 50 0 GHAAMN O=C1OCCN1CCn1cnc(-c2ccccc2)c1-c1nc2ccc(F)cc2[nH]1 ZINC000067675067 211015897 /nfs/dbraw/zinc/01/58/97/211015897.db2.gz ICSZSUIYEINKRX-UHFFFAOYSA-N 0 1 391.406 3.685 50 0 GHAAMN CCCc1nc(SCc2cc(=O)n3nc(C4CCCCC4)sc3n2)n[nH]1 ZINC000020982774 210371466 /nfs/dbraw/zinc/37/14/66/210371466.db2.gz QVUQOQYKCXNIFH-UHFFFAOYSA-N 0 1 390.538 3.562 50 0 GHAAMN CCCc1n[nH]c(SCc2cc(=O)n3nc(C4CCCCC4)sc3n2)n1 ZINC000020982774 210371470 /nfs/dbraw/zinc/37/14/70/210371470.db2.gz QVUQOQYKCXNIFH-UHFFFAOYSA-N 0 1 390.538 3.562 50 0 GHAAMN COCCNC(=O)c1ccc([C@@H]2CCCN2Cc2cc3ccccc3n2C)s1 ZINC000020537209 210345074 /nfs/dbraw/zinc/34/50/74/210345074.db2.gz ZORGELXROBZXEC-IBGZPJMESA-N 0 1 397.544 3.953 50 0 GHAAMN Cc1ccc(C)c(N2CCN(C[C@@H](O)c3ccc(Br)cc3)CC2)c1 ZINC000020218800 210324986 /nfs/dbraw/zinc/32/49/86/210324986.db2.gz ZVOIZJCUTUJNLP-HXUWFJFHSA-N 0 1 389.337 3.922 50 0 GHAAMN O=C(CCC1CCCCC1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1 ZINC000011697914 136199896 /nfs/dbraw/zinc/19/98/96/136199896.db2.gz LPSUEMXOSODCIL-UHFFFAOYSA-N 0 1 394.523 3.624 50 0 GHAAMN O=C1NC(=O)[C@@]2(Cc3cccc(F)c3N3CCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000025185097 136202751 /nfs/dbraw/zinc/20/27/51/136202751.db2.gz QTDAMFATORMQAT-VGSWGCGISA-N 0 1 393.418 3.850 50 0 GHAAMN CNc1nc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(C)cc3)C2)cs1 ZINC000067587968 222150165 /nfs/dbraw/zinc/15/01/65/222150165.db2.gz AWIYXPPBXZHSEU-OAHLLOKOSA-N 0 1 381.505 3.903 50 0 GHAAMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCN(c2ccccc2F)CC1 ZINC000011500306 526588884 /nfs/dbraw/zinc/58/88/84/526588884.db2.gz CXQJEGSEUXSUNO-UHFFFAOYSA-N 0 1 384.842 3.832 50 0 GHAAMN CCN1C(=O)CCc2cc(NS(=O)(=O)c3c(C)cccc3Cl)ccc21 ZINC000096399804 535431014 /nfs/dbraw/zinc/43/10/14/535431014.db2.gz NMKGNXPKKPVENO-UHFFFAOYSA-N 0 1 378.881 3.748 50 0 GHAAMN Cc1[nH]c2ccccc2c1C1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000048311365 570233396 /nfs/dbraw/zinc/23/33/96/570233396.db2.gz YJNQEWGKORJJDP-UHFFFAOYSA-N 0 1 378.501 3.925 50 0 GHAAMN CCCCCN(Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H](C)CCC ZINC000048341111 570239152 /nfs/dbraw/zinc/23/91/52/570239152.db2.gz HSGNSZZZKVZKIS-AWEZNQCLSA-N 0 1 375.542 3.824 50 0 GHAAMN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000048355287 570243589 /nfs/dbraw/zinc/24/35/89/570243589.db2.gz BQKBZOFTRNCPBU-GOSISDBHSA-N 0 1 386.521 3.829 50 0 GHAAMN Cc1ccc(-n2cc(C[N@@H+]3CCCN(Cc4cccnc4)CC3)cn2)cc1C ZINC000215226776 570286478 /nfs/dbraw/zinc/28/64/78/570286478.db2.gz FUYGGNOUZDZPRH-UHFFFAOYSA-N 0 1 375.520 3.592 50 0 GHAAMN Cc1ccc(-n2cc(CN3CCCN(Cc4cccnc4)CC3)cn2)cc1C ZINC000215226776 570286481 /nfs/dbraw/zinc/28/64/81/570286481.db2.gz FUYGGNOUZDZPRH-UHFFFAOYSA-N 0 1 375.520 3.592 50 0 GHAAMN Cc1ccc(C)c(NC(=O)[C@H](NCC(C)(C)N2CCOCC2)c2ccccc2)c1 ZINC000022038628 570303191 /nfs/dbraw/zinc/30/31/91/570303191.db2.gz MGPOMAMZBLYCKY-JOCHJYFZSA-N 0 1 395.547 3.684 50 0 GHAAMN C[C@@H](c1ccccc1Cl)N1CCN(CCCNC(=O)C2CCCC2)CC1 ZINC000075094083 570318565 /nfs/dbraw/zinc/31/85/65/570318565.db2.gz GCLYSRXEIDALNM-KRWDZBQOSA-N 0 1 377.960 3.715 50 0 GHAAMN 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/nfs/dbraw/zinc/06/26/41/221062641.db2.gz FEAKSYCFJCHWCW-IBGZPJMESA-N 0 1 378.563 3.785 50 0 GHAAMN CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)NC(=O)N(c1ccccc1)C2=O ZINC000008971300 221066544 /nfs/dbraw/zinc/06/65/44/221066544.db2.gz AUHZXRJPXGQCOE-QHCPKHFHSA-N 0 1 385.423 3.942 50 0 GHAAMN COc1ccc([C@H]2CCCCCN2CC(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000008747977 221055219 /nfs/dbraw/zinc/05/52/19/221055219.db2.gz JSUSAUUDTGPJDJ-HXUWFJFHSA-N 0 1 396.487 3.657 50 0 GHAAMN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(F)c1)N(CCN(C)C)C3=O ZINC000010233099 221099480 /nfs/dbraw/zinc/09/94/80/221099480.db2.gz VVSUTMOWFLIFNY-FQEVSTJZSA-N 0 1 394.446 3.656 50 0 GHAAMN COC(=O)c1ccc(CN[C@H](C)c2cnn(-c3ccc(OC)cc3)c2C)cc1 ZINC000011815918 221127585 /nfs/dbraw/zinc/12/75/85/221127585.db2.gz SMTXMAWQAGDION-OAHLLOKOSA-N 0 1 379.460 3.827 50 0 GHAAMN O=C(NCc1n[nH]c2c1CCC2)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000011820389 221129267 /nfs/dbraw/zinc/12/92/67/221129267.db2.gz WOGLGJKJLWICBJ-UHFFFAOYSA-N 0 1 386.455 3.755 50 0 GHAAMN COc1ccc(C(=O)NC2CC2)cc1OC1CCN(Cc2ccc(F)cc2)CC1 ZINC000011952106 221140385 /nfs/dbraw/zinc/14/03/85/221140385.db2.gz SVEXUKXSGQWEJV-UHFFFAOYSA-N 0 1 398.478 3.770 50 0 GHAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC1CC1 ZINC000012217608 221169288 /nfs/dbraw/zinc/16/92/88/221169288.db2.gz AZJXFNXFNODINA-UHFFFAOYSA-N 0 1 381.501 3.682 50 0 GHAAMN CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC000012442656 221195718 /nfs/dbraw/zinc/19/57/18/221195718.db2.gz DJPFRGFSHKTKPC-NDEHPHGNSA-N 0 1 381.476 3.607 50 0 GHAAMN CCOC(=O)[C@]1(Cc2ccccc2F)CCCN(Cc2ccc(COC)o2)C1 ZINC000012590668 221211557 /nfs/dbraw/zinc/21/15/57/221211557.db2.gz PKBXAHNBMFLVFV-QFIPXVFZSA-N 0 1 389.467 3.953 50 0 GHAAMN COc1cccc(OCCCN2CCN(c3nsc4ccccc43)CC2)c1 ZINC000013729157 221285253 /nfs/dbraw/zinc/28/52/53/221285253.db2.gz GLPKOKSGRYGXAX-UHFFFAOYSA-N 0 1 383.517 3.896 50 0 GHAAMN O=C(CSc1nc(C=Cc2cccs2)n[nH]1)NCCc1ccc(F)cc1 ZINC000014809486 221317959 /nfs/dbraw/zinc/31/79/59/221317959.db2.gz SHMMAXKMABULJR-BQYQJAHWSA-N 0 1 388.493 3.627 50 0 GHAAMN Cc1nc2sc(-c3ccccc3)cc2c(N2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000015130015 221334044 /nfs/dbraw/zinc/33/40/44/221334044.db2.gz LUSKLHVCQODZGW-GOSISDBHSA-N 0 1 394.544 3.968 50 0 GHAAMN CCc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)n[nH]2)cc1 ZINC000015679297 221340006 /nfs/dbraw/zinc/34/00/06/221340006.db2.gz ZFRJCAQCHQEFHE-UHFFFAOYSA-N 0 1 390.487 3.610 50 0 GHAAMN Cc1cc(OCC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc(C)c1Cl ZINC000015831650 221346958 /nfs/dbraw/zinc/34/69/58/221346958.db2.gz DSABAEXWOPZUJZ-KRWDZBQOSA-N 0 1 376.884 3.882 50 0 GHAAMN O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000015913415 221352404 /nfs/dbraw/zinc/35/24/04/221352404.db2.gz VGSSFHBJEBSLPS-UHFFFAOYSA-N 0 1 380.260 3.904 50 0 GHAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2noc3ccccc32)CC1 ZINC000019204406 221399469 /nfs/dbraw/zinc/39/94/69/221399469.db2.gz OZGDGFGWANFPKH-UHFFFAOYSA-N 0 1 398.894 3.804 50 0 GHAAMN CCN(CC)[C@@H](CNC(=O)COc1ccc(OC)cc1)c1ccccc1Cl ZINC000018227289 221391209 /nfs/dbraw/zinc/39/12/09/221391209.db2.gz WGWTUKKQXJDMPC-FQEVSTJZSA-N 0 1 390.911 3.927 50 0 GHAAMN Fc1ccc(C[C@@H]2CCCN(c3nc(-c4ccncc4)nc4c3CNC4)C2)cc1 ZINC000072166933 136167374 /nfs/dbraw/zinc/16/73/74/136167374.db2.gz VPQRBDCEOQBFSR-KRWDZBQOSA-N 0 1 389.478 3.740 50 0 GHAAMN Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000082230569 136174569 /nfs/dbraw/zinc/17/45/69/136174569.db2.gz AVQMOHZSDDMTFD-UHFFFAOYSA-N 0 1 395.551 3.915 50 0 GHAAMN Cc1nc(-n2cccc2)cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)n1 ZINC000090607877 136176037 /nfs/dbraw/zinc/17/60/37/136176037.db2.gz WHSUASVKVXDVHC-UHFFFAOYSA-N 0 1 396.882 3.583 50 0 GHAAMN COC(=O)c1c(NC(=O)CN[C@H](C)c2ccc(F)c(F)c2)sc2c1CCC2 ZINC000057315232 222030429 /nfs/dbraw/zinc/03/04/29/222030429.db2.gz RHZOCEDKSPGGGU-SNVBAGLBSA-N 0 1 394.443 3.591 50 0 GHAAMN CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)cc1 ZINC000051315630 222004429 /nfs/dbraw/zinc/00/44/29/222004429.db2.gz RVIZQCUVYMFBCG-UHFFFAOYSA-N 0 1 395.415 3.523 50 0 GHAAMN COC(=O)c1ccoc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC000055311158 222019763 /nfs/dbraw/zinc/01/97/63/222019763.db2.gz SVRBCLYMBRMHJU-UHFFFAOYSA-N 0 1 394.250 3.906 50 0 GHAAMN Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)Nc2ccc(C)c(Cl)c2)o1 ZINC000065194080 222108311 /nfs/dbraw/zinc/10/83/11/222108311.db2.gz GXXMLNFSBPLODI-UHFFFAOYSA-N 0 1 394.884 3.763 50 0 GHAAMN O=C(c1[nH]nc2ccccc21)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000060065626 222057826 /nfs/dbraw/zinc/05/78/26/222057826.db2.gz ZFEZTSQJWQMGLF-MRXNPFEDSA-N 0 1 386.249 3.539 50 0 GHAAMN CC1(C)CC[C@H](NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)c2ccccc21 ZINC000065587907 222135964 /nfs/dbraw/zinc/13/59/64/222135964.db2.gz BROYXQWANHXWJB-INIZCTEOSA-N 0 1 379.485 3.754 50 0 GHAAMN O=C([O-])c1ccccc1C[N@H+]1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000071748992 222189987 /nfs/dbraw/zinc/18/99/87/222189987.db2.gz FPFNLEHGEVYHNY-KRWDZBQOSA-N 0 1 379.378 3.847 50 0 GHAAMN CCc1ncc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(C)c3)CC2)cn1 ZINC000067649947 222152126 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COc1ccc(CC[C@H](C)Nc2nc(-c3ccncc3)nc3c2CNC3)cc1 ZINC000072155947 222213123 /nfs/dbraw/zinc/21/31/23/222213123.db2.gz RGXWRVVJPSOUBI-HNNXBMFYSA-N 0 1 375.476 3.584 50 0 GHAAMN COc1cc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)ccn1 ZINC000072165250 222215358 /nfs/dbraw/zinc/21/53/58/222215358.db2.gz UAYICBVLJZPCAV-HXUWFJFHSA-N 0 1 385.483 3.602 50 0 GHAAMN CSc1ccc(C(=O)c2ccccc2CN2CCC3(CC2)OCCO3)cc1 ZINC000085651555 222325315 /nfs/dbraw/zinc/32/53/15/222325315.db2.gz HUKLBGMFOQOECT-UHFFFAOYSA-N 0 1 383.513 3.978 50 0 GHAAMN COc1cc(C(=O)N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)ccn1 ZINC000077565567 222286612 /nfs/dbraw/zinc/28/66/12/222286612.db2.gz ALQXVQFVIZRIPW-UHFFFAOYSA-N 0 1 380.423 3.639 50 0 GHAAMN Cc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c2ccc(F)cc2n1 ZINC000082120196 222310752 /nfs/dbraw/zinc/31/07/52/222310752.db2.gz VMNQDKRQVWBFJC-NRFANRHFSA-N 0 1 387.418 3.588 50 0 GHAAMN O=C(c1ccc[nH]1)N(C[C@H]1CCCO1)CC1CCN(Cc2ccccc2F)CC1 ZINC000095520297 222346231 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391.471 3.528 50 0 GHAAMN CCOc1ccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002939446 861811362 /nfs/dbraw/zinc/81/13/62/861811362.db2.gz HABGZDXTCGENQG-UHFFFAOYSA-N 0 1 387.911 3.890 50 0 GHAAMN O=C(Cn1c(=O)c2ccccc2[nH]c1=S)NCc1ccc(Cl)c(Cl)c1 ZINC000003043662 862140633 /nfs/dbraw/zinc/14/06/33/862140633.db2.gz PHQNSKVYWRTSFI-UHFFFAOYSA-N 0 1 394.283 3.682 50 0 GHAAMN CCOc1ccccc1CN1CCC(C)(c2noc(C3CCOCC3)n2)CC1 ZINC000253414178 850631177 /nfs/dbraw/zinc/63/11/77/850631177.db2.gz WQQVHGRWOQCVEW-UHFFFAOYSA-N 0 1 385.508 3.916 50 0 GHAAMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1cccc(Br)c1 ZINC000003550411 862487913 /nfs/dbraw/zinc/48/79/13/862487913.db2.gz XQNVPVDNHVRQPD-UHFFFAOYSA-N 0 1 389.278 3.965 50 0 GHAAMN COc1cc2c(cc1O)[C@H](CCc1cc(OC)c(OC)c(OC)c1)N(C)CC2 ZINC000004557441 856462704 /nfs/dbraw/zinc/46/27/04/856462704.db2.gz HQDCEIRENZLSPH-KRWDZBQOSA-N 0 1 387.476 3.588 50 0 GHAAMN COc1cccc([C@@H](CNC(=O)Cc2c(C)[nH]c3ccc(C)cc32)N(C)C)c1 ZINC000040070125 856648671 /nfs/dbraw/zinc/64/86/71/856648671.db2.gz KGOLXQXNXFFFBB-JOCHJYFZSA-N 0 1 379.504 3.755 50 0 GHAAMN COc1cccc(-c2n[nH]cc2CNCc2cccc(N3CCCC3=O)c2)c1 ZINC000040153244 856684955 /nfs/dbraw/zinc/68/49/55/856684955.db2.gz XPWJVMYCPRDYOD-UHFFFAOYSA-N 0 1 376.460 3.502 50 0 GHAAMN O=C1N(C2CCN(Cc3ccncc3)CC2)[C@@H](c2ccncc2)C12CCCCC2 ZINC000169786714 859782898 /nfs/dbraw/zinc/78/28/98/859782898.db2.gz FNZPTUPCAJXYBD-QFIPXVFZSA-N 0 1 390.531 3.975 50 0 GHAAMN CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)OC(C)(C)C)cc1 ZINC000095460464 860592128 /nfs/dbraw/zinc/59/21/28/860592128.db2.gz RAJOSZXODNWDQU-UHFFFAOYSA-N 0 1 375.446 3.645 50 0 GHAAMN CCOC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000021650143 860877057 /nfs/dbraw/zinc/87/70/57/860877057.db2.gz JJVCCWRPZMOSHE-UHFFFAOYSA-N 0 1 375.472 3.734 50 0 GHAAMN CCOc1ccc(CN2CCC(CNC(=O)c3ccco3)CC2)cc1Cl ZINC000823383234 863101479 /nfs/dbraw/zinc/10/14/79/863101479.db2.gz QXGVHEYTXANFBG-UHFFFAOYSA-N 0 1 376.884 3.974 50 0 GHAAMN 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CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCc2ncc(-c3ccc(OC)cc3)o2)n[nH]1 ZINC000239761748 570684424 /nfs/dbraw/zinc/68/44/24/570684424.db2.gz CKIITWOVBXZUJR-ZIAGYGMSSA-N 0 1 397.479 3.792 50 0 GHAAMN O=C(CN1CCCN(Cc2ccc(F)cc2)CC1)Nc1cccc2ncccc21 ZINC000025075702 570722498 /nfs/dbraw/zinc/72/24/98/570722498.db2.gz IAEBUNUOMULSIV-UHFFFAOYSA-N 0 1 392.478 3.520 50 0 GHAAMN CCN1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc(C)c2)CC1 ZINC000007106041 570789340 /nfs/dbraw/zinc/78/93/40/570789340.db2.gz PHGDKWDKGCOJPB-UHFFFAOYSA-N 0 1 387.911 3.808 50 0 GHAAMN CCCOc1c(Cl)cc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1OC ZINC000007127802 570799835 /nfs/dbraw/zinc/79/98/35/570799835.db2.gz PTDSTMFDGDQXPB-KRWDZBQOSA-N 0 1 385.855 3.583 50 0 GHAAMN COc1ccc(-c2n[nH]c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2)cc1 ZINC000005903275 570802697 /nfs/dbraw/zinc/80/26/97/570802697.db2.gz KMWUPTSTJBHCSI-LLVKDONJSA-N 0 1 379.445 3.570 50 0 GHAAMN O=C(NCc1ccccc1F)C1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000033071189 570802835 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O=C(c1cc(O)ccc1C(F)(F)F)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000188919227 570911465 /nfs/dbraw/zinc/91/14/65/570911465.db2.gz WCCNUQXGKJDZFZ-UHFFFAOYSA-N 0 1 378.394 3.759 50 0 GHAAMN CN(Cc1ccc2ncccc2c1)C(=O)NC1CCN(Cc2ccco2)CC1 ZINC000534641394 570913110 /nfs/dbraw/zinc/91/31/10/570913110.db2.gz AMJFXDMMTQGMBY-UHFFFAOYSA-N 0 1 378.476 3.634 50 0 GHAAMN COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)N2CCCCC2)c1=O ZINC000016993375 570923292 /nfs/dbraw/zinc/92/32/92/570923292.db2.gz VDGHTJKPRQCXHW-FQEVSTJZSA-N 0 1 390.911 3.737 50 0 GHAAMN COc1cccc(C[C@H](NCc2cc(C)nc(N(C)C)n2)c2ccccc2)c1 ZINC000252504489 570977792 /nfs/dbraw/zinc/97/77/92/570977792.db2.gz VJMGAWIOZFRSSV-QFIPXVFZSA-N 0 1 376.504 3.933 50 0 GHAAMN Cc1cc(C)cc(OC[C@H](O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000023211991 570980303 /nfs/dbraw/zinc/98/03/03/570980303.db2.gz PRUPXUHFMZLLLT-HXUWFJFHSA-N 0 1 388.939 3.827 50 0 GHAAMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c[nH]c3ccccc3c2=O)c1 ZINC000046017685 571011699 /nfs/dbraw/zinc/01/16/99/571011699.db2.gz CVFFJGUDGJYKNH-IBGZPJMESA-N 0 1 378.428 3.523 50 0 GHAAMN COc1cc(C(O)=C2CC(=O)Nc3c2c(C)nn3-c2ccccc2)ccc1F ZINC000046057455 571017814 /nfs/dbraw/zinc/01/78/14/571017814.db2.gz PMSMWACCIAPDIO-HNNXBMFYSA-N 0 1 379.391 3.637 50 0 GHAAMN Cc1cccc2nc([C@H]3CCCN(C(=O)c4cnc(C5CC5)nc4C)C3)[nH]c21 ZINC000095379086 571066174 /nfs/dbraw/zinc/06/61/74/571066174.db2.gz IURFUTQGYPAJSD-INIZCTEOSA-N 0 1 375.476 3.867 50 0 GHAAMN COc1ccc([C@@H]2CN(C(=O)c3cc(C(C)C)no3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095388102 571071141 /nfs/dbraw/zinc/07/11/41/571071141.db2.gz VEOKOWFUDSMUKY-VLCRHTCISA-N 0 1 395.503 3.509 50 0 GHAAMN Cc1cnc(C2CCOCC2)n1C[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000581807345 837680354 /nfs/dbraw/zinc/68/03/54/837680354.db2.gz LPBPVLPQJYUMOC-LJQANCHMSA-N 0 1 381.520 3.946 50 0 GHAAMN COc1ccc(OC)c([C@@H]2CCCN2C(=O)Nc2cnn(-c3ccncc3)c2)c1 ZINC000078974927 840397485 /nfs/dbraw/zinc/39/74/85/840397485.db2.gz IOYSLGHHZPNFQG-IBGZPJMESA-N 0 1 393.447 3.654 50 0 GHAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000056553200 861645660 /nfs/dbraw/zinc/64/56/60/861645660.db2.gz QSXHTPWTCWILMF-OAQYLSRUSA-N 0 1 382.483 3.695 50 0 GHAAMN CC(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000003209723 862253675 /nfs/dbraw/zinc/25/36/75/862253675.db2.gz USLZIZXZLDMQPB-UHFFFAOYSA-N 0 1 387.288 3.932 50 0 GHAAMN CN(Cc1ccccc1)C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000185913658 862449947 /nfs/dbraw/zinc/44/99/47/862449947.db2.gz UNVDEGPTKGODMG-LJQANCHMSA-N 0 1 375.476 3.903 50 0 GHAAMN Cc1cc(=O)oc2cc(OC[C@@H]3CC(c4ccc(N(C)C)cc4)=NO3)ccc12 ZINC000004079940 862760347 /nfs/dbraw/zinc/76/03/47/862760347.db2.gz JQEUCPJVXCGZKL-SFHVURJKSA-N 0 1 378.428 3.739 50 0 biogenic GHAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC2(CC1)C[C@H](OCC1CC1)CCO2 ZINC000169769866 859750927 /nfs/dbraw/zinc/75/09/27/859750927.db2.gz VMZWVDSBYPKNCJ-LJQANCHMSA-N 0 1 395.503 3.657 50 0 GHAAMN COc1ccc(OCc2cc(C(=O)N(C)Cc3ccco3)[nH]n2)c(Cl)c1 ZINC000012304124 859830199 /nfs/dbraw/zinc/83/01/99/859830199.db2.gz MFVUHMYTODIHSP-UHFFFAOYSA-N 0 1 375.812 3.516 50 0 GHAAMN C[C@@H](NC(=O)N1CCC(C)(N2CCOCC2)CC1)c1ccccc1C(F)(F)F ZINC000527696591 859860629 /nfs/dbraw/zinc/86/06/29/859860629.db2.gz ULHMMZHPBFKTCF-OAHLLOKOSA-N 0 1 399.457 3.663 50 0 GHAAMN COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000020580386 860613370 /nfs/dbraw/zinc/61/33/70/860613370.db2.gz TVDYKDLBVLSEPB-UHFFFAOYSA-N 0 1 386.429 3.662 50 0 GHAAMN Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3nnc(C4CC4)o3)c2)cc1Cl ZINC000096321627 860878451 /nfs/dbraw/zinc/87/84/51/860878451.db2.gz SHIAORJNMDNBAY-UHFFFAOYSA-N 0 1 378.841 3.705 50 0 GHAAMN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2cc(Cl)ccc2C)o1 ZINC000096379555 860906734 /nfs/dbraw/zinc/90/67/34/860906734.db2.gz LFHQURAPHAYRFV-UHFFFAOYSA-N 0 1 380.857 3.753 50 0 GHAAMN CCn1nccc1C(=O)Nc1cc(-c2cc3c(cccc3OC)n2CC)n[nH]1 ZINC000096398651 860918270 /nfs/dbraw/zinc/91/82/70/860918270.db2.gz OVJURJNLKFUJHK-UHFFFAOYSA-N 0 1 378.436 3.529 50 0 GHAAMN CC[NH+]1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(C(C)C)cc2)CC1 ZINC000022458874 861125529 /nfs/dbraw/zinc/12/55/29/861125529.db2.gz YYIDDHICZCFLLZ-SFHVURJKSA-N 0 1 399.564 3.655 50 0 GHAAMN O=C1[C@@H](NCc2ccc(-c3c(F)cccc3F)o2)CCCN1c1cccnc1 ZINC000184253485 864286057 /nfs/dbraw/zinc/28/60/57/864286057.db2.gz ZCJBEDUTENTIBQ-SFHVURJKSA-N 0 1 383.398 3.905 50 0 GHAAMN O=C(c1cc2ccccc2[nH]1)N1CC[C@@H]2COCCN(Cc3ccccc3)[C@@H]2C1 ZINC000581781540 869964596 /nfs/dbraw/zinc/96/45/96/869964596.db2.gz LNQVLFGAELMYIL-NFBKMPQASA-N 0 1 389.499 3.531 50 0 GHAAMN COc1ccc(CCC(=O)N2CCCC[C@@H]2c2n[nH]c(-c3ccncc3)n2)cc1 ZINC000581776456 869967978 /nfs/dbraw/zinc/96/79/78/869967978.db2.gz SGMYVSAIFZSPQE-LJQANCHMSA-N 0 1 391.475 3.562 50 0 GHAAMN Cc1cnc(C2CCOCC2)n1C[C@@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000581808106 870038486 /nfs/dbraw/zinc/03/84/86/870038486.db2.gz XSNCGMGXFVMCFQ-HXUWFJFHSA-N 0 1 396.535 3.707 50 0 GHAAMN CCC1(N2CCOCC2)CCN(C(=O)NCC(C)(C)C2=CCCCC2)CC1 ZINC000623900859 871511950 /nfs/dbraw/zinc/51/19/50/871511950.db2.gz TZLFTLHOMBPWQP-UHFFFAOYSA-N 0 1 377.573 3.799 50 0 GHAAMN COCCc1noc([C@@H]2CCCCN2C2CCN(c3ccccc3C)CC2)n1 ZINC000952871783 904635694 /nfs/dbraw/zinc/63/56/94/904635694.db2.gz BBVUJHODRXSYNH-FQEVSTJZSA-N 0 1 384.524 3.763 50 0 GHAAMN COc1ccc(-c2cccc(C(=O)N3CCN(CC(C)C)[C@@H](CCO)C3)c2)cc1 ZINC000952873175 904635914 /nfs/dbraw/zinc/63/59/14/904635914.db2.gz WKVFTJVFCBBXPJ-QFIPXVFZSA-N 0 1 396.531 3.527 50 0 GHAAMN CC[C@@H](C)Oc1ccc(CN2CCC(C(=O)N3CCOCC3)CC2)cc1Cl ZINC000952972407 904651538 /nfs/dbraw/zinc/65/15/38/904651538.db2.gz VLCQJMZXOVDINK-MRXNPFEDSA-N 0 1 394.943 3.588 50 0 GHAAMN CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc3c(s2)CCNC3)c1 ZINC000662455171 930491668 /nfs/dbraw/zinc/49/16/68/930491668.db2.gz JOHISUUHJFFHQX-UHFFFAOYSA-N 0 1 398.557 3.735 50 0 GHAAMN COCCCN1CC2(CCC1=O)CCN(Cc1cccc(C(F)(F)F)c1)CC2 ZINC000092082035 230974314 /nfs/dbraw/zinc/97/43/14/230974314.db2.gz QWTMRGZKNFBURW-UHFFFAOYSA-N 0 1 398.469 3.947 50 0 GHAAMN CC(C)(CO)N(Cc1csc(CC(=O)Nc2ccccc2)n1)CC1CCC1 ZINC000242339001 222723015 /nfs/dbraw/zinc/72/30/15/222723015.db2.gz ZECWPVROYNZRDO-UHFFFAOYSA-N 0 1 387.549 3.697 50 0 GHAAMN COc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1C ZINC000001110556 212218218 /nfs/dbraw/zinc/21/82/18/212218218.db2.gz QTCAKMPBKAQAHZ-UHFFFAOYSA-N 0 1 385.869 3.783 50 0 GHAAMN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl ZINC000000991157 212202413 /nfs/dbraw/zinc/20/24/13/212202413.db2.gz MKMUWAWIJSZBHH-UHFFFAOYSA-N 0 1 387.848 3.788 50 0 GHAAMN Cn1cc(C[C@H]2CCN([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C2)cn1 ZINC000328594286 212083365 /nfs/dbraw/zinc/08/33/65/212083365.db2.gz PSORVTMGAFRIOZ-VGSWGCGISA-N 0 1 392.478 3.804 50 0 GHAAMN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N(C)Cc2ccc(C)cc2C)cc1 ZINC000007920931 221016552 /nfs/dbraw/zinc/01/65/52/221016552.db2.gz KBIFJBLLHHEXJD-LJQANCHMSA-N 0 1 381.520 3.529 50 0 GHAAMN CN1CCN(c2ccc(NC(=O)CCC(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000007987785 221019966 /nfs/dbraw/zinc/01/99/66/221019966.db2.gz LSNXKICBJADOAC-UHFFFAOYSA-N 0 1 391.924 3.755 50 0 GHAAMN O=C1[C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000008520871 221043086 /nfs/dbraw/zinc/04/30/86/221043086.db2.gz DVUPAHROSSIUSQ-IEBWSBKVSA-N 0 1 376.799 3.786 50 0 GHAAMN CN(CCCNc1c(=O)c(=O)c1-c1ccc2c(c1)CCCC2)Cc1ccccc1 ZINC000009228143 221074420 /nfs/dbraw/zinc/07/44/20/221074420.db2.gz RQJKQEYPARNDSY-UHFFFAOYSA-N 0 1 388.511 3.762 50 0 GHAAMN O=C(CCc1ccccn1)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000011936995 221139570 /nfs/dbraw/zinc/13/95/70/221139570.db2.gz YDSWAJGUULKFRM-QHCPKHFHSA-N 0 1 399.485 3.807 50 0 GHAAMN Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000012073584 221147239 /nfs/dbraw/zinc/14/72/39/221147239.db2.gz UJOYEAVZGCUQAV-OAQYLSRUSA-N 0 1 383.536 3.813 50 0 GHAAMN O=C(Nc1ccc(N2CCC(NCc3ccon3)CC2)cc1)c1ccccc1F ZINC000012157673 221161087 /nfs/dbraw/zinc/16/10/87/221161087.db2.gz PIWCZBDYYLWJSZ-UHFFFAOYSA-N 0 1 394.450 3.825 50 0 GHAAMN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2cccc(C)n2)CC1 ZINC000012447949 221197220 /nfs/dbraw/zinc/19/72/20/221197220.db2.gz QFPZJGWUGRKWTL-UHFFFAOYSA-N 0 1 382.504 3.787 50 0 GHAAMN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN3Cc3cnc(C)[nH]3)cc2)c1 ZINC000012446465 221197387 /nfs/dbraw/zinc/19/73/87/221197387.db2.gz HJIMGWHSBGGXOV-QFIPXVFZSA-N 0 1 390.487 3.997 50 0 GHAAMN Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2 ZINC000012586303 221209611 /nfs/dbraw/zinc/20/96/11/221209611.db2.gz ZACDSIUWEXJXHJ-NRFANRHFSA-N 0 1 389.446 3.698 50 0 GHAAMN CC(=O)NCC[C@H]1CCCCN1Cc1nc(-c2ccc(F)cc2F)oc1C ZINC000012594484 221212545 /nfs/dbraw/zinc/21/25/45/221212545.db2.gz CAKGTFPEYLJDEW-MRXNPFEDSA-N 0 1 377.435 3.809 50 0 GHAAMN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012604800 221214773 /nfs/dbraw/zinc/21/47/73/221214773.db2.gz SSUDFJTXWQJVGE-UHFFFAOYSA-N 0 1 393.770 3.946 50 0 GHAAMN CSCCC(=O)N1CC[C@@H](C2CCN(Cc3cccc(F)c3F)CC2)C1 ZINC000012707927 221219563 /nfs/dbraw/zinc/21/95/63/221219563.db2.gz ILKQMEKZZSYHEC-MRXNPFEDSA-N 0 1 382.520 3.778 50 0 GHAAMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)[C@H]1COc2ccccc2O1 ZINC000012788862 221231692 /nfs/dbraw/zinc/23/16/92/221231692.db2.gz PTFKOOUQSVEVOE-FGZHOGPDSA-N 0 1 385.423 3.609 50 0 GHAAMN Fc1ccccc1-c1cnnc(NCC2(N3CCOCC3)CCCCCC2)n1 ZINC000014957039 221321061 /nfs/dbraw/zinc/32/10/61/221321061.db2.gz CEXOGXHSZDMURL-UHFFFAOYSA-N 0 1 385.487 3.515 50 0 GHAAMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015550878 221337254 /nfs/dbraw/zinc/33/72/54/221337254.db2.gz VAXQCFDNVFYYIM-DLBZAZTESA-N 0 1 397.494 3.742 50 0 GHAAMN Cc1cc(OCC(=O)NC[C@H](c2ccco2)N2CCCC2)cc(C)c1Cl ZINC000015831648 221346711 /nfs/dbraw/zinc/34/67/11/221346711.db2.gz DSABAEXWOPZUJZ-QGZVFWFLSA-N 0 1 376.884 3.882 50 0 GHAAMN CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3O)n[nH]2)s1 ZINC000015973859 221353932 /nfs/dbraw/zinc/35/39/32/221353932.db2.gz LTTQCUUNKVCQRG-UHFFFAOYSA-N 0 1 375.479 3.615 50 0 GHAAMN COc1ccc(-c2n[nH]cc2CN2CCC([C@H](O)c3ccccn3)CC2)c(F)c1 ZINC000019147363 221399632 /nfs/dbraw/zinc/39/96/32/221399632.db2.gz POFCKSGHOVJTGR-QFIPXVFZSA-N 0 1 396.466 3.565 50 0 GHAAMN Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)n1 ZINC000058022652 136154437 /nfs/dbraw/zinc/15/44/37/136154437.db2.gz WTMKQVRGGTYSNT-UHFFFAOYSA-N 0 1 398.514 3.755 50 0 GHAAMN O=C(CN1CCOc2ccc(Cl)cc21)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000089807421 136175716 /nfs/dbraw/zinc/17/57/16/136175716.db2.gz OKVWGLRTKVIDHF-UHFFFAOYSA-N 0 1 392.793 3.991 50 0 GHAAMN Cc1cc(N2CCC3(CC2)c2[nH]cnc2CCN3C)nc2cc3c(cc12)CCC3 ZINC000095519998 136181215 /nfs/dbraw/zinc/18/12/15/136181215.db2.gz FNVNJCOTOWWBSW-UHFFFAOYSA-N 0 1 387.531 3.739 50 0 GHAAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)[nH]1 ZINC000000634713 136192899 /nfs/dbraw/zinc/19/28/99/136192899.db2.gz BNKNDAKWXLFJCD-XFFZJAGNSA-N 0 1 394.283 3.770 50 0 GHAAMN O[C@H](COC1CCCCC1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000016578780 136202103 /nfs/dbraw/zinc/20/21/03/136202103.db2.gz BHMILOWASNPYKF-SFHVURJKSA-N 0 1 386.458 3.538 50 0 GHAAMN O=C(Nc1ccccc1)c1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000022089403 221552895 /nfs/dbraw/zinc/55/28/95/221552895.db2.gz BUBQNNRJURMKEW-UHFFFAOYSA-N 0 1 387.483 3.967 50 0 GHAAMN COc1ccc(CNC(=O)CNC(c2ccccc2)c2ccccc2)cc1OC ZINC000054531214 222013704 /nfs/dbraw/zinc/01/37/04/222013704.db2.gz ZLSHFUJOWKGJIF-UHFFFAOYSA-N 0 1 390.483 3.699 50 0 GHAAMN COc1ccc2cc(CNCc3ccccc3OCC(=O)N(C)C)ccc2c1 ZINC000058165816 222042765 /nfs/dbraw/zinc/04/27/65/222042765.db2.gz CNTKPSHTHHVMBL-UHFFFAOYSA-N 0 1 378.472 3.605 50 0 GHAAMN COc1ccccc1[C@@H](CNCc1csc(-c2ncccn2)n1)N1CCCC1 ZINC000058202611 222046243 /nfs/dbraw/zinc/04/62/43/222046243.db2.gz QHSWUBLNFKGTAU-GOSISDBHSA-N 0 1 395.532 3.535 50 0 GHAAMN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000059338784 222056334 /nfs/dbraw/zinc/05/63/34/222056334.db2.gz NIUUGCNDJKOQAY-UHFFFAOYSA-N 0 1 391.406 3.541 50 0 GHAAMN COc1ccc([C@H](C)NC(=O)C2=CCN(Cc3ccc(F)cc3)CC2)cc1OC ZINC000064818062 222083281 /nfs/dbraw/zinc/08/32/81/222083281.db2.gz ONILOBOLDPFHBQ-INIZCTEOSA-N 0 1 398.478 3.852 50 0 GHAAMN CC(=O)c1c(C)nn([C@@H](C)Cc2nc(C3CC3)nn2-c2ccncc2C)c1C ZINC000065457787 222130088 /nfs/dbraw/zinc/13/00/88/222130088.db2.gz WTMPAPYODNMLPC-ZDUSSCGKSA-N 0 1 378.480 3.668 50 0 GHAAMN CCCc1ncncc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccc(F)cc2)C1 ZINC000067459025 222147121 /nfs/dbraw/zinc/14/71/21/222147121.db2.gz DVSDRPYNEFIOKW-INIZCTEOSA-N 0 1 393.466 3.978 50 0 GHAAMN CCn1c(C)ccc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)c1=O ZINC000067818813 222160939 /nfs/dbraw/zinc/16/09/39/222160939.db2.gz BQWHJTWCZLRTKF-GOSISDBHSA-N 0 1 390.487 3.587 50 0 GHAAMN CCc1ncc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccc(F)cc3)C2)cn1 ZINC000067834323 222160986 /nfs/dbraw/zinc/16/09/86/222160986.db2.gz CSTPIFCCPXSTMN-OAHLLOKOSA-N 0 1 379.439 3.588 50 0 GHAAMN Cc1nn(C)c(Cl)c1CN[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000067821233 222161797 /nfs/dbraw/zinc/16/17/97/222161797.db2.gz ARIUEYVWMCFGAN-CYBMUJFWSA-N 0 1 375.929 3.750 50 0 GHAAMN CC(=O)Nc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2cccc(C)c2[nH]1 ZINC000067846699 222164090 /nfs/dbraw/zinc/16/40/90/222164090.db2.gz IAXXLVYUNIPCQZ-LJQANCHMSA-N 0 1 391.475 3.605 50 0 GHAAMN Cc1ccc2[nH]c(C(=O)[O-])c(C[N@H+]3CCC[C@H](C(=O)c4ccccn4)C3)c2c1 ZINC000067935241 222169358 /nfs/dbraw/zinc/16/93/58/222169358.db2.gz VPLZFGVZNFTRNE-HNNXBMFYSA-N 0 1 377.444 3.664 50 0 GHAAMN CCc1cc2oc(=O)cc(CN3CCC[C@@H](C4OCCO4)C3)c2cc1Cl ZINC000069298870 222172210 /nfs/dbraw/zinc/17/22/10/222172210.db2.gz WCAMZMJJTJNYAJ-CQSZACIVSA-N 0 1 377.868 3.594 50 0 GHAAMN COc1ccc([C@@H]2CN(C(=O)c3ccccc3F)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071422401 222186084 /nfs/dbraw/zinc/18/60/84/222186084.db2.gz YYXPSSZDQKARBV-KSEOMHKRSA-N 0 1 380.463 3.537 50 0 GHAAMN CSc1ccc(C(=O)[C@@H]2CCCN(Cc3ccccc3OCCO)C2)cc1 ZINC000071759497 222193220 /nfs/dbraw/zinc/19/32/20/222193220.db2.gz IMBYHVBLTXUFQF-LJQANCHMSA-N 0 1 385.529 3.875 50 0 GHAAMN COCc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 ZINC000071762128 222194619 /nfs/dbraw/zinc/19/46/19/222194619.db2.gz ZARZHQFWMFGBQN-HXUWFJFHSA-N 0 1 388.483 3.938 50 0 GHAAMN CC(C)[C@H]1CN(C(=O)c2cnn(C(C)C)c2)CCCN1Cc1ccc(F)cc1 ZINC000072157674 222212268 /nfs/dbraw/zinc/21/22/68/222212268.db2.gz ZRGFLQZCBIPGOD-OAQYLSRUSA-N 0 1 386.515 3.976 50 0 GHAAMN Clc1ccccc1[C@H]1CCN(c2nc(-c3ccncc3)nc3c2CNC3)C1 ZINC000072156004 222213500 /nfs/dbraw/zinc/21/35/00/222213500.db2.gz UCWHGEKRVUCUEZ-HNNXBMFYSA-N 0 1 377.879 3.789 50 0 GHAAMN O=C(COc1coc(CN2CCCCCC2)cc1=O)Nc1cccc(Cl)c1 ZINC000072404463 222254691 /nfs/dbraw/zinc/25/46/91/222254691.db2.gz IWHLGJPRWLRZSV-UHFFFAOYSA-N 0 1 390.867 3.687 50 0 GHAAMN COc1ccc(CN2CCC3(CN(C)C(=O)O3)CC2)cc1OCc1ccccc1 ZINC000072432150 222260660 /nfs/dbraw/zinc/26/06/60/222260660.db2.gz WQSPNEOKAWOPOD-UHFFFAOYSA-N 0 1 396.487 3.691 50 0 GHAAMN Cc1nc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)n[nH]1 ZINC000095498139 222332231 /nfs/dbraw/zinc/33/22/31/222332231.db2.gz HCZKMQSRXIZXRX-UHFFFAOYSA-N 0 1 393.466 3.770 50 0 GHAAMN C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000095504107 222337122 /nfs/dbraw/zinc/33/71/22/222337122.db2.gz ZGXRHNKSGUVBMU-GOSISDBHSA-N 0 1 395.381 3.642 50 0 GHAAMN CCNc1ncc(CN2CCC(CCC(=O)Nc3cccc(C)c3)CC2)cn1 ZINC000095508089 222341136 /nfs/dbraw/zinc/34/11/36/222341136.db2.gz YVIRDTKGANWZRG-UHFFFAOYSA-N 0 1 381.524 3.848 50 0 GHAAMN CCCn1nccc1C(=O)N1CCC[C@H](c2[nH]ncc2Cc2ccccc2)C1 ZINC000077300086 222277617 /nfs/dbraw/zinc/27/76/17/222277617.db2.gz VPDDHRRRRMBCDY-SFHVURJKSA-N 0 1 377.492 3.627 50 0 GHAAMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1csc(-c2ccc(Br)cc2)n1 ZINC000079025951 222301952 /nfs/dbraw/zinc/30/19/52/222301952.db2.gz CIDZSAXKXHZTLV-AAEUAGOBSA-N 0 1 394.338 3.658 50 0 GHAAMN COc1cccc([C@H]2CN(C(=O)c3ccc(C)s3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095523100 222347991 /nfs/dbraw/zinc/34/79/91/222347991.db2.gz QZCWLPCRXJAJNY-HMXCVIKNSA-N 0 1 382.529 3.768 50 0 GHAAMN C[C@H](N[C@@H]1CCSc2ccc(F)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000095955779 222363681 /nfs/dbraw/zinc/36/36/81/222363681.db2.gz MZWFGDLAHLBVBG-SCLBCKFNSA-N 0 1 394.537 3.964 50 0 GHAAMN O=S(=O)(NCc1cc(C2CC2)n(C2CCCC2)n1)c1c(F)cccc1F ZINC000096104103 222382182 /nfs/dbraw/zinc/38/21/82/222382182.db2.gz LJGSDRABDKQOBL-UHFFFAOYSA-N 0 1 381.448 3.632 50 0 GHAAMN COc1ccccc1-c1n[nH]c(NC(=O)CCCc2cn(C)c3ccccc23)n1 ZINC000095477716 533917429 /nfs/dbraw/zinc/91/74/29/533917429.db2.gz YWHNCCVZRSQFPS-UHFFFAOYSA-N 0 1 389.459 3.933 50 0 GHAAMN CCN1CCN(c2ccccc2NC(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000040103973 535755915 /nfs/dbraw/zinc/75/59/15/535755915.db2.gz MZDUNEIRPVHACC-LJQANCHMSA-N 0 1 380.536 3.971 50 0 GHAAMN Cc1cc(C)cc(NC(=O)CCN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019921055 570229755 /nfs/dbraw/zinc/22/97/55/570229755.db2.gz GWBBZAWSGOFAEN-RMKNXTFCSA-N 0 1 377.532 3.963 50 0 GHAAMN c1ccc(OCc2n[nH]c3c2CN(Cc2nc4c(s2)CCCC4)CC3)cc1 ZINC000020235566 570249438 /nfs/dbraw/zinc/24/94/38/570249438.db2.gz YLFCQJNXNFJMGC-UHFFFAOYSA-N 0 1 380.517 3.882 50 0 GHAAMN COC(=O)c1cccc(NC(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(F)c2)c1 ZINC000020744803 570278763 /nfs/dbraw/zinc/27/87/63/570278763.db2.gz BHHBKICFJCFCLO-LJQANCHMSA-N 0 1 394.406 3.515 50 0 GHAAMN O=C(CN1CCN(CCc2ccccc2)CC1)Nc1cc(Cl)ccc1Cl ZINC000022914166 570334533 /nfs/dbraw/zinc/33/45/33/570334533.db2.gz WCUHGQOKAGPILF-UHFFFAOYSA-N 0 1 392.330 3.792 50 0 GHAAMN Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1 ZINC000023055050 570342117 /nfs/dbraw/zinc/34/21/17/570342117.db2.gz YKEPWXKDVNDGRS-QHCPKHFHSA-N 0 1 398.466 3.507 50 0 GHAAMN CCOc1ccc(CN2CCN(Cc3ccc(OCC)cc3)[C@@H](CCO)C2)cc1 ZINC000023374651 570358432 /nfs/dbraw/zinc/35/84/32/570358432.db2.gz ZDIJWSFDUOIXQE-QFIPXVFZSA-N 0 1 398.547 3.553 50 0 GHAAMN COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)CC1 ZINC000024959454 570399798 /nfs/dbraw/zinc/39/97/98/570399798.db2.gz LHCOTMZFQAQCTQ-UHFFFAOYSA-N 0 1 396.878 3.701 50 0 GHAAMN CC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000004756871 570403659 /nfs/dbraw/zinc/40/36/59/570403659.db2.gz KXYQEBXXVAPNEF-UHFFFAOYSA-N 0 1 394.452 3.942 50 0 GHAAMN Cc1ncsc1CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000241946753 570431714 /nfs/dbraw/zinc/43/17/14/570431714.db2.gz UNPZOZCQHYYOQZ-HZPDHXFCSA-N 0 1 398.450 3.848 50 0 GHAAMN CNc1snc(C)c1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000027575812 570435837 /nfs/dbraw/zinc/43/58/37/570435837.db2.gz BTLIBOZWMVUYAE-AWEZNQCLSA-N 0 1 378.567 3.758 50 0 GHAAMN COc1ccc(-c2nonc2NC(=O)c2cc(-c3ccccc3)on2)cc1OC ZINC000027794042 570443099 /nfs/dbraw/zinc/44/30/99/570443099.db2.gz LLKXCWHDIFAPHB-UHFFFAOYSA-N 0 1 392.371 3.661 50 0 GHAAMN COc1cccc(CN(C[C@@H](C)O)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000248240464 570450759 /nfs/dbraw/zinc/45/07/59/570450759.db2.gz AZEKARYMJVYLLM-FOIQADDNSA-N 0 1 388.895 3.725 50 0 GHAAMN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N(C)C)cc1 ZINC000028289776 570455604 /nfs/dbraw/zinc/45/56/04/570455604.db2.gz ZYDFDJVCSSRHQS-IBGZPJMESA-N 0 1 378.472 3.751 50 0 GHAAMN Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccnc2)c1 ZINC000006316364 570476846 /nfs/dbraw/zinc/47/68/46/570476846.db2.gz DGMBAGZGAMIGEX-UHFFFAOYSA-N 0 1 381.457 3.752 50 0 GHAAMN CN(CCCn1c(=O)oc2ccccc21)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000072291815 570484615 /nfs/dbraw/zinc/48/46/15/570484615.db2.gz YZSAJOAZPHHHSD-OAQYLSRUSA-N 0 1 394.450 3.579 50 0 GHAAMN CCCC(=O)OC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000036031629 570517757 /nfs/dbraw/zinc/51/77/57/570517757.db2.gz RGVZJHQGXMBZNC-HXUWFJFHSA-N 0 1 377.431 3.671 50 0 GHAAMN O[C@@H](COc1ccccc1)CN(Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036031429 570517894 /nfs/dbraw/zinc/51/78/94/570517894.db2.gz SDQXCUHUOQFDAY-OAQYLSRUSA-N 0 1 391.467 3.857 50 0 GHAAMN O=c1[nH]c(CNc2cccc(Cl)c2)nn1Cc1ccc(OC(F)(F)F)cc1 ZINC000071282990 570523976 /nfs/dbraw/zinc/52/39/76/570523976.db2.gz HQPXCONBSMOABX-UHFFFAOYSA-N 0 1 398.772 3.784 50 0 GHAAMN COc1cccc(CN(C[C@H](C)O)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1 ZINC000036146712 570549510 /nfs/dbraw/zinc/54/95/10/570549510.db2.gz AZEKARYMJVYLLM-YWZLYKJASA-N 0 1 388.895 3.725 50 0 GHAAMN Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nc1Cc1ccccc1 ZINC000005312494 570552048 /nfs/dbraw/zinc/55/20/48/570552048.db2.gz LEEJUIJHGNETMG-CQSZACIVSA-N 0 1 394.500 3.527 50 0 GHAAMN O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccccc2)N1C[C@@H]1CCCO1 ZINC000006752747 570571503 /nfs/dbraw/zinc/57/15/03/570571503.db2.gz FEBVRARWOYOJEP-YCRPNKLZSA-N 0 1 375.428 3.507 50 0 GHAAMN Cc1ccn2c(=O)cc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)nc2c1 ZINC000028869314 570576717 /nfs/dbraw/zinc/57/67/17/570576717.db2.gz XFCAFWZZCGMMTO-UHFFFAOYSA-N 0 1 383.864 3.734 50 0 GHAAMN CCC[C@@H](O)CN1CCN(c2nc(C)nc(CC)c2Cc2cccc(C)c2)CC1 ZINC000036340670 570625329 /nfs/dbraw/zinc/62/53/29/570625329.db2.gz FYDGMQPXNKDKIZ-OAQYLSRUSA-N 0 1 396.579 3.530 50 0 GHAAMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025419638 570751204 /nfs/dbraw/zinc/75/12/04/570751204.db2.gz CWADOLVINYJJNT-WOJBJXKFSA-N 0 1 379.548 3.697 50 0 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