smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 ZINC000103718484 231014056 /nfs/dbraw/zinc/01/40/56/231014056.db2.gz RIJZLXUGHQHXRA-LLVKDONJSA-N 0 0 397.689 4.947 40 0 GJABRN O=C1CCCN1c1cccc(NC(=S)NC2(c3cccs3)CCCC2)c1 ZINC000225870640 231036464 /nfs/dbraw/zinc/03/64/64/231036464.db2.gz JMTFTTXOGOPMEL-UHFFFAOYSA-N 0 0 385.558 4.631 40 0 GJABRN Cc1ccc(COc2c(Br)cc(Br)cc2CO)cc1 ZINC000311667023 231045426 /nfs/dbraw/zinc/04/54/26/231045426.db2.gz XQXRFCKZSVILBG-UHFFFAOYSA-N 0 0 386.083 4.591 40 0 GJABRN CCn1c(SCC(=O)Nc2ccc(C(F)F)cc2)nnc1-c1ccccc1 ZINC000408541734 231054781 /nfs/dbraw/zinc/05/47/81/231054781.db2.gz DDYHROKPUXPOJI-UHFFFAOYSA-N 0 0 388.443 4.633 40 0 GJABRN Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Cl)c1 ZINC000408615279 231081148 /nfs/dbraw/zinc/08/11/48/231081148.db2.gz OILMIBUQCHECEG-UHFFFAOYSA-N 0 0 378.859 4.831 40 0 GJABRN CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(C)cc1 ZINC000408561091 231061855 /nfs/dbraw/zinc/06/18/55/231061855.db2.gz GNOHCHQYXNPHAY-FCQUAONHSA-N 0 0 380.513 4.857 40 0 GJABRN O=C(COC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 ZINC000408585774 231067844 /nfs/dbraw/zinc/06/78/44/231067844.db2.gz IHNFMFONMCISQF-UHFFFAOYSA-N 0 0 380.827 4.959 40 0 GJABRN Cn1c(COc2cccc3ccccc32)nnc1SCC(=O)c1ccccc1 ZINC000408596334 231072854 /nfs/dbraw/zinc/07/28/54/231072854.db2.gz RNYICJHQLRTZIK-UHFFFAOYSA-N 0 0 389.480 4.522 40 0 GJABRN O=C(Nc1cccc(F)c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408675643 231093562 /nfs/dbraw/zinc/09/35/62/231093562.db2.gz KDBFWQYYABYOBM-UHFFFAOYSA-N 0 0 376.362 4.706 40 0 GJABRN Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)n2)cc1 ZINC000408694263 231094924 /nfs/dbraw/zinc/09/49/24/231094924.db2.gz HZQPEYYEOMRFPA-UHFFFAOYSA-N 0 0 386.430 4.943 40 0 GJABRN Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)cc1 ZINC000408697515 231096491 /nfs/dbraw/zinc/09/64/91/231096491.db2.gz JZXLOJZYWZLOEF-UHFFFAOYSA-N 0 0 390.393 4.773 40 0 GJABRN CCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(C)ccc21 ZINC000408712903 231103246 /nfs/dbraw/zinc/10/32/46/231103246.db2.gz AKAZRIASRIDBKP-UHFFFAOYSA-N 0 0 396.490 4.849 40 0 GJABRN O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1cccc(F)c1 ZINC000408713339 231103905 /nfs/dbraw/zinc/10/39/05/231103905.db2.gz UFAJGZKHMYTDLE-UHFFFAOYSA-N 0 0 382.460 4.919 40 0 GJABRN Cc1cccc(OC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)c1 ZINC000408721907 231105780 /nfs/dbraw/zinc/10/57/80/231105780.db2.gz MSPYBROVTQLESQ-DVECYGJZSA-N 0 0 391.467 4.530 40 0 GJABRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(Br)o2)S1 ZINC000408799923 231115004 /nfs/dbraw/zinc/11/50/04/231115004.db2.gz JJGLHUMWRBCOLA-UHFFFAOYSA-N 0 0 398.689 4.767 40 0 GJABRN O=C(NCc1ccco1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408979903 231141069 /nfs/dbraw/zinc/14/10/69/231141069.db2.gz SYWKFWOCJREMOV-UHFFFAOYSA-N 0 0 398.426 4.535 40 0 GJABRN Cc1ccc(COc2ccc(/C=C3/NC(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409014056 231147094 /nfs/dbraw/zinc/14/70/94/231147094.db2.gz OREFFYDRTNCVCX-PXLXIMEGSA-N 0 0 384.435 4.671 40 0 GJABRN O=C1NC(=Cc2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccccc1 ZINC000409020624 231147954 /nfs/dbraw/zinc/14/79/54/231147954.db2.gz RECMQMXNEWUOGJ-KGENOOAVSA-N 0 0 388.398 4.502 40 0 GJABRN CO[C@H](C(=O)NCCSCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000409026289 231148531 /nfs/dbraw/zinc/14/85/31/231148531.db2.gz LAYDVVUQRSXHKX-KRWDZBQOSA-N 0 0 384.328 4.731 40 0 GJABRN CO[C@@H](C(=O)NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000408924447 231132561 /nfs/dbraw/zinc/13/25/61/231132561.db2.gz OGVBDMLRFOFDOA-QGZVFWFLSA-N 0 0 384.328 4.731 40 0 GJABRN O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1cccc(Cl)c1 ZINC000409231587 231184643 /nfs/dbraw/zinc/18/46/43/231184643.db2.gz KDUJVTXQXUCBBU-UHFFFAOYSA-N 0 0 388.920 4.519 40 0 GJABRN Cc1nccn1Cc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000019288249 210237702 /nfs/dbraw/zinc/23/77/02/210237702.db2.gz OUKUZOPROIQXER-UHFFFAOYSA-N 0 0 388.496 4.539 40 0 GJABRN Cc1cccc(C(=O)N2CCC(c3nnc(-c4nccc5ccccc54)o3)CC2)c1 ZINC000019234398 210234356 /nfs/dbraw/zinc/23/43/56/210234356.db2.gz FHNXZIKGPUVGDM-UHFFFAOYSA-N 0 0 398.466 4.613 40 0 GJABRN CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 ZINC000408628399 529694908 /nfs/dbraw/zinc/69/49/08/529694908.db2.gz SLQOTYNGINFEFF-UHFFFAOYSA-N 0 0 387.439 4.778 40 0 GJABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)cc1 ZINC000409328537 529695263 /nfs/dbraw/zinc/69/52/63/529695263.db2.gz XEVKFCGTQAVYFC-UHFFFAOYSA-N 0 0 397.500 4.559 40 0 GJABRN C[C@@]1(c2ccccc2)CC[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C1 ZINC000018244972 210218530 /nfs/dbraw/zinc/21/85/30/210218530.db2.gz ZFUNSQLABWWPNS-DBXWQHBBSA-N 0 0 398.300 4.697 40 0 GJABRN Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1C ZINC000223942723 222647017 /nfs/dbraw/zinc/64/70/17/222647017.db2.gz LTRPJCXLTWTAMH-RTBURBONSA-N 0 0 381.516 4.533 40 0 GJABRN CC(C)(C)c1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3)n2)cc1 ZINC000225312411 222673501 /nfs/dbraw/zinc/67/35/01/222673501.db2.gz LBIASYFNGLILGL-UHFFFAOYSA-N 0 0 397.906 4.937 40 0 GJABRN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H](C)C3)c12 ZINC000036615844 210154832 /nfs/dbraw/zinc/15/48/32/210154832.db2.gz FVGSKFZVRVOHMR-MRXNPFEDSA-N 0 0 388.515 4.538 40 0 GJABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000014012189 210099565 /nfs/dbraw/zinc/09/95/65/210099565.db2.gz AXQLZVKFBIGBGM-QGZVFWFLSA-N 0 0 388.467 4.829 40 0 GJABRN Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000013710358 210081028 /nfs/dbraw/zinc/08/10/28/210081028.db2.gz WYFIPBHFBOJPLY-INIZCTEOSA-N 0 0 377.937 4.774 40 0 GJABRN O=C(NCCSCc1ccccc1)c1ccccc1OCc1ccccc1 ZINC000013686984 210080068 /nfs/dbraw/zinc/08/00/68/210080068.db2.gz HSTCLBGVCUHWIU-UHFFFAOYSA-N 0 0 377.509 4.929 40 0 GJABRN Cc1nn2c(nnc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1-c1ccccc1 ZINC000013635587 210074187 /nfs/dbraw/zinc/07/41/87/210074187.db2.gz KVYHWAOSTCVCJF-UHFFFAOYSA-N 0 0 391.862 4.622 40 0 GJABRN COC1(OC)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408418 210061670 /nfs/dbraw/zinc/06/16/70/210061670.db2.gz WEMQGMZMEXLVDS-CPDXTSBQSA-N 0 0 378.553 4.950 40 0 GJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000010684115 209865605 /nfs/dbraw/zinc/86/56/05/209865605.db2.gz BTHHYHHKJQVWCB-HNNXBMFYSA-N 0 0 388.895 4.503 40 0 GJABRN COc1cccc(OC)c1-c1noc(CSc2nc3ccccc3s2)n1 ZINC000008816054 209801107 /nfs/dbraw/zinc/80/11/07/209801107.db2.gz GEQDODYUTIOEGT-UHFFFAOYSA-N 0 0 385.470 4.656 40 0 GJABRN CCC(=O)Nc1ccc(N2C(=O)[C@H](C)S[C@H]2c2ccc(SC)cc2)cc1 ZINC000005791923 209614813 /nfs/dbraw/zinc/61/48/13/209614813.db2.gz BOKWYJCVHYXEFI-RBZFPXEDSA-N 0 0 386.542 4.924 40 0 GJABRN COc1ccc(-c2cc(N3CCCC3)cc3c2c(=O)n(-c2ccccc2)n3C)cc1 ZINC000003843039 209454939 /nfs/dbraw/zinc/45/49/39/209454939.db2.gz BXXMERSLBVKNTE-UHFFFAOYSA-N 0 0 399.494 4.605 40 0 GJABRN CCCC(=O)Nc1scc(-c2ccc(Br)cc2)c1C(=O)OC ZINC000002889595 209395959 /nfs/dbraw/zinc/39/59/59/209395959.db2.gz BKYJWHJDEUEOEJ-UHFFFAOYSA-N 0 0 382.279 4.703 40 0 GJABRN O=C(Nc1cccc2c(NC(=O)N3CCCCC3)cccc12)N1CCCCC1 ZINC000001589628 209333205 /nfs/dbraw/zinc/33/32/05/209333205.db2.gz QJQAUPMZXOOJQV-UHFFFAOYSA-N 0 0 380.492 4.875 40 0 GJABRN CCCCOC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000001747445 209338126 /nfs/dbraw/zinc/33/81/26/209338126.db2.gz OWONGIIGDCASQL-UWVGGRQHSA-N 0 0 397.682 4.689 40 0 GJABRN Cc1ccc2nc3c(nc2c1)n(-c1ccccc1)c(=O)n3-c1cccc(Cl)c1 ZINC000001585498 209334054 /nfs/dbraw/zinc/33/40/54/209334054.db2.gz AYWFDIBOGHYTET-UHFFFAOYSA-N 0 0 386.842 4.686 40 0 GJABRN C[C@@H](NNC(=S)N1CCC(c2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000001580100 209334144 /nfs/dbraw/zinc/33/41/44/209334144.db2.gz HCMUXDYUCOJQDE-QGZVFWFLSA-N 0 0 390.556 4.555 40 0 GJABRN Cc1nc(NC(=O)c2cccc(C)c2)sc1C(=O)Nc1cccc(Cl)c1 ZINC000001378996 209324051 /nfs/dbraw/zinc/32/40/51/209324051.db2.gz OQDNZQUMVOPSJY-UHFFFAOYSA-N 0 0 385.876 4.918 40 0 GJABRN Cc1sc2nc(C(C)C)nc(SCC(=O)Nc3nccs3)c2c1C ZINC000001340407 209320476 /nfs/dbraw/zinc/32/04/76/209320476.db2.gz LHXFVCDZYUEHMR-UHFFFAOYSA-N 0 0 378.548 4.619 40 0 GJABRN Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C ZINC000001224908 209316559 /nfs/dbraw/zinc/31/65/59/209316559.db2.gz HYBSWXMRQOAMFV-KIMHZCHSSA-N 0 0 396.560 4.783 40 0 GJABRN O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1 ZINC000000797224 209266324 /nfs/dbraw/zinc/26/63/24/209266324.db2.gz QTDBUUAVZZPJCQ-UHFFFAOYSA-N 0 0 395.256 4.954 40 0 GJABRN CCCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OC ZINC000065002593 212076157 /nfs/dbraw/zinc/07/61/57/212076157.db2.gz UUAMTOIVRVXSBN-UHFFFAOYSA-N 0 0 384.501 4.718 40 0 GJABRN Cc1c2ccccc2oc1-c1nnc2sc(COc3ccc(C)cc3)nn21 ZINC000096194309 212074199 /nfs/dbraw/zinc/07/41/99/212074199.db2.gz FZNCISNWMXSSJV-UHFFFAOYSA-N 0 0 376.441 4.795 40 0 GJABRN CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)ccc1C ZINC000001268190 212061188 /nfs/dbraw/zinc/06/11/88/212061188.db2.gz RDQLUFTZKNAVEP-UHFFFAOYSA-N 0 0 394.254 4.690 40 0 GJABRN CCCCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2OC)cc1OC ZINC000001799553 212060716 /nfs/dbraw/zinc/06/07/16/212060716.db2.gz KRZXAJUYGZAGHJ-UKTHLTGXSA-N 0 0 399.487 4.933 40 0 GJABRN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 ZINC000072230015 212058872 /nfs/dbraw/zinc/05/88/72/212058872.db2.gz KBACHGARVWJSBC-OAQYLSRUSA-N 0 0 397.858 4.691 40 0 GJABRN Cc1ccccc1CC(=O)N1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306141299 212055779 /nfs/dbraw/zinc/05/57/79/212055779.db2.gz VRDBXMBMXSXKJT-HSZRJFAPSA-N 0 0 396.494 4.611 40 0 GJABRN Cc1ccc(NC(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)c(Cl)c1 ZINC000041077042 212043513 /nfs/dbraw/zinc/04/35/13/212043513.db2.gz FBSJKCPTGZSSJE-UHFFFAOYSA-N 0 0 383.879 4.932 40 0 GJABRN CC(C)c1ccc(OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1 ZINC000041076390 212041392 /nfs/dbraw/zinc/04/13/92/212041392.db2.gz OZYYNVSWBQDRFS-UHFFFAOYSA-N 0 0 383.498 4.582 40 0 GJABRN Cc1ccccc1OCCSc1nnc(-c2ccc(Br)cc2)o1 ZINC000039477264 212040505 /nfs/dbraw/zinc/04/05/05/212040505.db2.gz KPVQPINGVRKDHO-UHFFFAOYSA-N 0 0 391.290 4.979 40 0 GJABRN CCC(=O)N[C@@]1(C)C[C@H](c2ccc(F)c(F)c2)O[C@H](c2ccc(F)cc2)C1 ZINC000257342660 212027548 /nfs/dbraw/zinc/02/75/48/212027548.db2.gz ZPPHUAXYNPBTEK-QKNQBKEWSA-N 0 0 377.406 4.982 40 0 GJABRN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2Cc2nccn2C(C)C)n1 ZINC000257326487 212026368 /nfs/dbraw/zinc/02/63/68/212026368.db2.gz WXJOYZJDWDMIPG-LJQANCHMSA-N 0 0 394.523 4.561 40 0 GJABRN CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)[nH]n1 ZINC000257316692 212023530 /nfs/dbraw/zinc/02/35/30/212023530.db2.gz VGORGHKNHUDRGN-LJQANCHMSA-N 0 0 392.503 4.653 40 0 GJABRN Cc1cc(OC(F)(F)F)ccc1Nc1cc(C(F)(F)F)nc(NC(C)C)n1 ZINC000329060732 203773040 /nfs/dbraw/zinc/77/30/40/203773040.db2.gz WNGYPDJRBAFYBW-UHFFFAOYSA-N 0 0 394.319 4.688 40 0 GJABRN CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000226285583 203790640 /nfs/dbraw/zinc/79/06/40/203790640.db2.gz AKLRTKOTTVAUEU-UHFFFAOYSA-N 0 0 376.334 4.600 40 0 GJABRN S=C(Nc1ccccc1)N1CCS[C@H]1c1ccc(Br)s1 ZINC000001441364 203908495 /nfs/dbraw/zinc/90/84/95/203908495.db2.gz XSCWQHVARMLORG-ZDUSSCGKSA-N 0 0 385.377 4.955 40 0 GJABRN C[C@H](NNC(=S)N1CCC(c2ccccc2)CC1)c1ccc2ccccc2n1 ZINC000001580099 203914163 /nfs/dbraw/zinc/91/41/63/203914163.db2.gz HCMUXDYUCOJQDE-KRWDZBQOSA-N 0 0 390.556 4.555 40 0 GJABRN CC(C)N(C(=O)CSc1nnc(Nc2ccccc2)s1)c1ccccc1 ZINC000003625050 204016060 /nfs/dbraw/zinc/01/60/60/204016060.db2.gz CLKKJSXBSFHVLL-UHFFFAOYSA-N 0 0 384.530 4.815 40 0 GJABRN Cc1cc(C)c2cc(CN(C(=O)c3ccco3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000004231031 204033207 /nfs/dbraw/zinc/03/32/07/204033207.db2.gz SAUIJVSEQIFNKV-UHFFFAOYSA-N 0 0 378.472 4.713 40 0 GJABRN CC[C@H]1CCCCN1C(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000004828523 204078834 /nfs/dbraw/zinc/07/88/34/204078834.db2.gz DRJGQJLRFQWEKT-DUVNUKRYSA-N 0 0 396.413 4.541 40 0 GJABRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000004832903 204080467 /nfs/dbraw/zinc/08/04/67/204080467.db2.gz 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/nfs/dbraw/zinc/27/98/76/210279876.db2.gz LFZMPWLGDHTZJD-GFCCVEGCSA-N 0 0 398.459 4.520 40 0 GJABRN CCOc1cc(Cn2cncc2-c2cnn(C3CCCCC3)c2)ccc1OC ZINC000019654557 210277944 /nfs/dbraw/zinc/27/79/44/210277944.db2.gz PTGSSKHLNAFUDF-UHFFFAOYSA-N 0 0 380.492 4.707 40 0 GJABRN COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3cccnc3)on2)cc1 ZINC000012120244 221154019 /nfs/dbraw/zinc/15/40/19/221154019.db2.gz NXLNDCGDNLECLI-FQEVSTJZSA-N 0 0 377.444 4.503 40 0 GJABRN Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cs1 ZINC000012128103 221156446 /nfs/dbraw/zinc/15/64/46/221156446.db2.gz BXSNWDANNUFPFB-INIZCTEOSA-N 0 0 396.560 4.934 40 0 GJABRN COc1cc(N)c(Cl)cc1C(=O)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1)C2 ZINC000012181149 221163051 /nfs/dbraw/zinc/16/30/51/221163051.db2.gz KRDILUFFWNMZAZ-VHRNVKJDSA-N 0 0 388.870 4.621 40 0 GJABRN Cc1oc(C2CC2)cc1C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000019582553 221430659 /nfs/dbraw/zinc/43/06/59/221430659.db2.gz RUMASHNJNKJXLF-FQEVSTJZSA-N 0 0 375.472 4.518 40 0 GJABRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000408921614 533609767 /nfs/dbraw/zinc/60/97/67/533609767.db2.gz JQZPAJNWSBPCLB-UHFFFAOYSA-N 0 0 394.496 4.665 40 0 GJABRN COc1cccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c1 ZINC000408620511 533614619 /nfs/dbraw/zinc/61/46/19/533614619.db2.gz GTSHMPHHOLVXCL-UHFFFAOYSA-N 0 0 386.245 4.872 40 0 GJABRN CCC(=O)c1c(N)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2 ZINC000064220285 136156602 /nfs/dbraw/zinc/15/66/02/136156602.db2.gz ULIBYJMBJWFJQE-UHFFFAOYSA-N 0 0 389.830 4.553 40 0 GJABRN C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)c(F)c1 ZINC000068605490 136165089 /nfs/dbraw/zinc/16/50/89/136165089.db2.gz UNIQTAHDEBNTBX-LJQANCHMSA-N 0 0 388.486 4.945 40 0 GJABRN Cc1nc(C2CCN(c3ccccc3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000072346321 136168763 /nfs/dbraw/zinc/16/87/63/136168763.db2.gz SPRCGLZLUWGLAW-UHFFFAOYSA-N 0 0 390.462 4.560 40 0 GJABRN CC(C)c1ccc(OCC(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1 ZINC000226253163 136192578 /nfs/dbraw/zinc/19/25/78/136192578.db2.gz KJEKDPWSLLFHJH-KRWDZBQOSA-N 0 0 381.520 4.789 40 0 GJABRN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1Br ZINC000226254733 136192627 /nfs/dbraw/zinc/19/26/27/136192627.db2.gz DOHOYZPBAWFESD-ZDUSSCGKSA-N 0 0 388.309 4.662 40 0 GJABRN CCOc1cc(C(=O)NCc2ccc(F)c(Cl)c2)cc(OCC)c1OCC ZINC000072070769 222203913 /nfs/dbraw/zinc/20/39/13/222203913.db2.gz KXXYCKPWPPJVRB-UHFFFAOYSA-N 0 0 395.858 4.605 40 0 GJABRN Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1 ZINC000408607757 533687677 /nfs/dbraw/zinc/68/76/77/533687677.db2.gz ODQGCILFPRFNQO-UHFFFAOYSA-N 0 0 394.496 4.665 40 0 GJABRN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000408999891 533704928 /nfs/dbraw/zinc/70/49/28/533704928.db2.gz SVDXWUXKQGGNPW-HNNXBMFYSA-N 0 0 388.423 4.839 40 0 GJABRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 ZINC000408811499 533882336 /nfs/dbraw/zinc/88/23/36/533882336.db2.gz LKZYMLFCGRMXEJ-UHFFFAOYSA-N 0 0 384.868 4.593 40 0 GJABRN Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000409055137 533911904 /nfs/dbraw/zinc/91/19/04/533911904.db2.gz WJSLHADZCBTHNO-IDUWFGFVSA-N 0 0 387.844 4.614 40 0 GJABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cc2ccccc2o1 ZINC000020611109 534140885 /nfs/dbraw/zinc/14/08/85/534140885.db2.gz VRXHFHLKPXECMA-UHFFFAOYSA-N 0 0 386.386 4.867 40 0 GJABRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1 ZINC000408627136 534169937 /nfs/dbraw/zinc/16/99/37/534169937.db2.gz KOKQFXZZLAKUHN-AWEZNQCLSA-N 0 0 387.936 4.846 40 0 GJABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408676264 534184714 /nfs/dbraw/zinc/18/47/14/534184714.db2.gz MTEYOIIYZBNBED-GOSISDBHSA-N 0 0 382.463 4.975 40 0 GJABRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1C ZINC000103718504 534189257 /nfs/dbraw/zinc/18/92/57/534189257.db2.gz XYDFJISISWGUAL-ZDUSSCGKSA-N 0 0 377.271 4.602 40 0 GJABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccccc2C)cc1 ZINC000408700030 534209388 /nfs/dbraw/zinc/20/93/88/534209388.db2.gz YPWDQTLCBDGJQG-UHFFFAOYSA-N 0 0 386.430 4.943 40 0 GJABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(C)c2)cc1 ZINC000408698973 534209633 /nfs/dbraw/zinc/20/96/33/534209633.db2.gz QMLXFUXQCNFPDV-UHFFFAOYSA-N 0 0 386.430 4.943 40 0 GJABRN Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1C ZINC000408714815 534258835 /nfs/dbraw/zinc/25/88/35/534258835.db2.gz XDFDXEIZQINFJX-UHFFFAOYSA-N 0 0 377.488 4.923 40 0 GJABRN Cc1ccc2nc(-c3ccc(-n4c(=O)[nH]c5ccccc5c4=O)cc3)sc2c1 ZINC000015424795 534487149 /nfs/dbraw/zinc/48/71/49/534487149.db2.gz ZORPHUPWWSAMRD-UHFFFAOYSA-N 0 0 385.448 4.676 40 0 GJABRN O=C(CSCc1ccccc1Br)NC12CC3CC(CC(C3)C1)C2 ZINC000408563165 534668194 /nfs/dbraw/zinc/66/81/94/534668194.db2.gz JVCBAOHFJLWWAC-UHFFFAOYSA-N 0 0 394.378 4.767 40 0 GJABRN O=C1NC(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)S1 ZINC000409143306 534783756 /nfs/dbraw/zinc/78/37/56/534783756.db2.gz MSMYUEOQGBSEIS-WQRHYEAKSA-N 0 0 398.871 4.698 40 0 GJABRN O=C1S/C(=C/c2cc3c(cc2Cl)OCO3)C(=O)N1CC1CCCCC1 ZINC000409146898 534822867 /nfs/dbraw/zinc/82/28/67/534822867.db2.gz TXAGZIGWDNORBS-FRKPEAEDSA-N 0 0 379.865 4.685 40 0 GJABRN O=C1S[C@H](Cc2cc3c(cc2Cl)OCO3)C(=O)N1c1ccc(Cl)cc1 ZINC000409139326 534824325 /nfs/dbraw/zinc/82/43/25/534824325.db2.gz CRWMVRIEJUBMBT-OAHLLOKOSA-N 0 0 396.251 4.533 40 0 GJABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000057315894 526784386 /nfs/dbraw/zinc/78/43/86/526784386.db2.gz VNRVXJKEBGCPNI-UHFFFAOYSA-N 0 0 396.531 4.617 40 0 GJABRN CC1(C)OC(=O)C([C@H](c2c[nH]c3ccccc32)c2cccc3ccccc32)C(=O)O1 ZINC000409117368 527795445 /nfs/dbraw/zinc/79/54/45/527795445.db2.gz XOBXITQOMFAJBM-NRFANRHFSA-N 0 0 399.446 4.905 40 0 GJABRN CCOc1cc(/C=C/C(=O)Nc2ccccc2Br)ccc1OC ZINC000408604123 528193720 /nfs/dbraw/zinc/19/37/20/528193720.db2.gz SQQMXCBIYNDYAH-PKNBQFBNSA-N 0 0 376.250 4.508 40 0 GJABRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000409086163 528196213 /nfs/dbraw/zinc/19/62/13/528196213.db2.gz GAWINOXCYLNDIQ-KBVGCWLLSA-N 0 0 383.897 4.972 40 0 GJABRN CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000033658574 528286189 /nfs/dbraw/zinc/28/61/89/528286189.db2.gz PYVUJFZOIOLQFP-UHFFFAOYSA-N 0 0 394.446 4.854 40 0 GJABRN CCCCN1C(=O)S/C(=C\c2ccc(OCC(C)C)c(OCC)c2)C1=O ZINC000409058757 528451586 /nfs/dbraw/zinc/45/15/86/528451586.db2.gz KZJYBCDLSHGQIL-PDGQHHTCSA-N 0 0 377.506 4.957 40 0 GJABRN CCOc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)N(C)C2=S)cc1 ZINC000409032779 528482316 /nfs/dbraw/zinc/48/23/16/528482316.db2.gz DGVMHVTVYQRTOS-QNGOZBTKSA-N 0 0 388.492 4.843 40 0 GJABRN CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 ZINC000408709320 528490499 /nfs/dbraw/zinc/49/04/99/528490499.db2.gz ZLZPIXJNWKJPIT-XEVCZEQESA-N 0 0 384.564 4.768 40 0 GJABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C ZINC000408558992 528589533 /nfs/dbraw/zinc/58/95/33/528589533.db2.gz UXFMJPIBPMGPNS-UHFFFAOYSA-N 0 0 383.469 4.987 40 0 GJABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(C)cc1)N2 ZINC000409351014 528595012 /nfs/dbraw/zinc/59/50/12/528595012.db2.gz VILRGOBYSMPHBN-JXXFODFXSA-N 0 0 396.453 4.910 40 0 GJABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)OC(C)(C)C)N2 ZINC000409362058 528595065 /nfs/dbraw/zinc/59/50/65/528595065.db2.gz RSQHNRCEXYEWSP-PSTGCABASA-N 0 0 378.435 4.697 40 0 GJABRN CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409100097 528624557 /nfs/dbraw/zinc/62/45/57/528624557.db2.gz PUUNEXKFKJZRTQ-CPNJWEJPSA-N 0 0 392.842 4.989 40 0 GJABRN CCCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccccc1 ZINC000408563696 528805199 /nfs/dbraw/zinc/80/51/99/528805199.db2.gz WQADTEMORDNRSE-FCQUAONHSA-N 0 0 380.513 4.939 40 0 GJABRN CCCc1sc(Nc2ccccc2OC)nc1-c1ccc(OC)c(OC)c1 ZINC000408754172 528805221 /nfs/dbraw/zinc/80/52/21/528805221.db2.gz DUBYMMBHGAFQHB-UHFFFAOYSA-N 0 0 384.501 4.954 40 0 GJABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000014398265 529245198 /nfs/dbraw/zinc/24/51/98/529245198.db2.gz YVOZMTRVPMSEBT-MRXNPFEDSA-N 0 0 398.684 4.907 40 0 GJABRN CC(C)[C@@H](C)NC(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc32)s1 ZINC000096154630 535165109 /nfs/dbraw/zinc/16/51/09/535165109.db2.gz BFKSHMLIKIURCV-CQSZACIVSA-N 0 0 398.532 4.716 40 0 GJABRN CC1=C[C@@H](CNC(=O)CC(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 ZINC000030880211 560090104 /nfs/dbraw/zinc/09/01/04/560090104.db2.gz SKZMNBDUGFDSBL-ZJOUEHCJSA-N 0 0 390.612 4.842 40 0 biogenic,in-vitro GJABRN Clc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3CC3CCCCC3)n2)cc1 ZINC000015675598 560094989 /nfs/dbraw/zinc/09/49/89/560094989.db2.gz WFGUUESZFYYGGT-IBGZPJMESA-N 0 0 397.910 4.793 40 0 biogenic,in-vitro GJABRN CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)NCc1cccc2ccccc21 ZINC000005433984 560201982 /nfs/dbraw/zinc/20/19/82/560201982.db2.gz MAKZDICFHGDEFB-ICSRJNTNSA-N 0 0 394.559 4.767 40 0 biogenic,in-vitro GJABRN [NH3+][C@H](CSC1(c2ccc(Cl)cc2)c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000008618608 560209662 /nfs/dbraw/zinc/20/96/62/560209662.db2.gz BZRSNJXOHYRQSB-HXUWFJFHSA-N 0 0 395.911 4.757 40 0 in-vitro GJABRN CC(C)Nc1nc(-c2ccccn2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000328974994 570210116 /nfs/dbraw/zinc/21/01/16/570210116.db2.gz FJGQHFYMTNMOHG-UHFFFAOYSA-N 0 0 389.290 4.527 40 0 GJABRN Cc1cc(Nc2cc(-c3ccncc3)nc(N[C@@H](CO)C(C)C)n2)ccc1Cl ZINC000328976587 570210427 /nfs/dbraw/zinc/21/04/27/570210427.db2.gz FOSXATITJMBYNL-IBGZPJMESA-N 0 0 397.910 4.673 40 0 GJABRN CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328987662 570210790 /nfs/dbraw/zinc/21/07/90/570210790.db2.gz IDAVAXHIYYIRAE-UHFFFAOYSA-N 0 0 392.812 4.835 40 0 GJABRN Clc1cccc(Nc2nc(C3CC3)cc(N3CCc4ccccc4C3)n2)c1 ZINC000328995184 570211133 /nfs/dbraw/zinc/21/11/33/570211133.db2.gz JHBRHZYOPRVWCX-UHFFFAOYSA-N 0 0 376.891 4.736 40 0 GJABRN Cc1ccc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1C(F)(F)F ZINC000329001321 570211373 /nfs/dbraw/zinc/21/13/73/570211373.db2.gz KDEDCLWRCLQVDY-UHFFFAOYSA-N 0 0 384.405 4.633 40 0 GJABRN Cc1cc(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)ccc1Br ZINC000329041270 570214366 /nfs/dbraw/zinc/21/43/66/570214366.db2.gz SHMCWVWREVCAGJ-UHFFFAOYSA-N 0 0 395.304 4.954 40 0 GJABRN Oc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c(Cl)c1 ZINC000329039643 570214436 /nfs/dbraw/zinc/21/44/36/570214436.db2.gz RXYNJORJGOMLRH-UHFFFAOYSA-N 0 0 394.906 4.835 40 0 GJABRN Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329053308 570215602 /nfs/dbraw/zinc/21/56/02/570215602.db2.gz VFOQPPBOLXCOKX-LJQANCHMSA-N 0 0 396.922 4.700 40 0 GJABRN CC(C)c1nc(-c2cc(C(=O)N(C)Cc3ccccn3)c3ccccn23)cs1 ZINC000096154835 570216633 /nfs/dbraw/zinc/21/66/33/570216633.db2.gz DWMQBVWQXOINQI-UHFFFAOYSA-N 0 0 390.512 4.853 40 0 GJABRN Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 ZINC000205619074 570226428 /nfs/dbraw/zinc/22/64/28/570226428.db2.gz ZVTBCTDETHIAGZ-ZHZULCJRSA-N 0 0 376.481 4.775 40 0 GJABRN COc1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC ZINC000020034956 570236334 /nfs/dbraw/zinc/23/63/34/570236334.db2.gz REXVTFMFTJJOKZ-UHFFFAOYSA-N 0 0 393.508 4.926 40 0 GJABRN COc1cccc(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 ZINC000020039751 570236917 /nfs/dbraw/zinc/23/69/17/570236917.db2.gz UDKMUIABDICYAT-FDDCHVKYSA-N 0 0 375.468 4.677 40 0 GJABRN O=S(=O)(NCCSc1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000020041959 570236971 /nfs/dbraw/zinc/23/69/71/570236971.db2.gz FOUUZJKPTZBYDG-UHFFFAOYSA-N 0 0 385.510 4.550 40 0 GJABRN CCOC(=O)c1cc(NC(=O)CCSCc2ccccc2)ccc1Cl ZINC000020046764 570237614 /nfs/dbraw/zinc/23/76/14/570237614.db2.gz QZONJEQBGBLYNR-UHFFFAOYSA-N 0 0 377.893 4.779 40 0 GJABRN COc1ccc(S[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)cc1OC ZINC000020108527 570240267 /nfs/dbraw/zinc/24/02/67/570240267.db2.gz SYERSCNBLQDYFS-AWEZNQCLSA-N 0 0 393.936 4.587 40 0 GJABRN COc1ccc(CC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000020112369 570240972 /nfs/dbraw/zinc/24/09/72/570240972.db2.gz PJBKTQVLLCAHEV-UHFFFAOYSA-N 0 0 384.328 4.594 40 0 GJABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Br)o1 ZINC000020139783 570242285 /nfs/dbraw/zinc/24/22/85/570242285.db2.gz MLFHQDVQSDMNNW-UHFFFAOYSA-N 0 0 396.624 4.700 40 0 GJABRN CCCCOc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 ZINC000020141561 570242648 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CCOc1cc(CNc2ccc(C)c(C)c2)cc(I)c1O ZINC000409110033 528285737 /nfs/dbraw/zinc/28/57/37/528285737.db2.gz PYIRTIHJJBAPOM-UHFFFAOYSA-N 0 0 397.256 4.624 40 0 GJABRN CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409057033 528370706 /nfs/dbraw/zinc/37/07/06/528370706.db2.gz GISSTRBMZDEOLH-BOPFTXTBSA-N 0 0 389.860 4.988 40 0 GJABRN CCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000408705341 528469962 /nfs/dbraw/zinc/46/99/62/528469962.db2.gz COMXVMSKEGDHRF-HNNXBMFYSA-N 0 0 388.895 4.503 40 0 GJABRN CCCOC(=O)c1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000408729199 528579003 /nfs/dbraw/zinc/57/90/03/528579003.db2.gz BGTTUWRWJXXKMB-HKWRFOASSA-N 0 0 391.467 4.895 40 0 GJABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1OCC ZINC000408680498 528588777 /nfs/dbraw/zinc/58/87/77/528588777.db2.gz MSBXUWNAOOKVBH-UHFFFAOYSA-N 0 0 397.496 4.952 40 0 GJABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccccc1)N2 ZINC000409360552 528595725 /nfs/dbraw/zinc/59/57/25/528595725.db2.gz QWOKBOMDUCQVGN-CLCXKQKWSA-N 0 0 382.426 4.602 40 0 GJABRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 ZINC000408657738 528607854 /nfs/dbraw/zinc/60/78/54/528607854.db2.gz IZXACTIRPKIFEM-IEBWSBKVSA-N 0 0 379.500 4.889 40 0 GJABRN CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 ZINC000408656283 528608229 /nfs/dbraw/zinc/60/82/29/528608229.db2.gz HNSWEKRWLDFJNM-SFHVURJKSA-N 0 0 379.500 4.950 40 0 GJABRN CCCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccccc2)C1=O ZINC000409194665 528730943 /nfs/dbraw/zinc/73/09/43/528730943.db2.gz LBGLIZIILUZMRS-QNGOZBTKSA-N 0 0 386.451 4.722 40 0 GJABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(C)c1 ZINC000408678307 529159571 /nfs/dbraw/zinc/15/95/71/529159571.db2.gz FISZHKKLBFASGV-IBGZPJMESA-N 0 0 377.937 4.855 40 0 GJABRN CCc1onc(C)c1-c1nc(N2C[C@@H](C)C[C@H](C)C2)ncc1-c1ccncc1 ZINC000072342882 535936569 /nfs/dbraw/zinc/93/65/69/535936569.db2.gz JYKFIZMFFSMTCW-GJZGRUSLSA-N 0 0 377.492 4.547 40 0 GJABRN CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1N1CCC(C)CC1 ZINC000001341074 536070055 /nfs/dbraw/zinc/07/00/55/536070055.db2.gz SKBVNFCYOZMBLA-UHFFFAOYSA-N 0 0 394.519 4.521 40 0 GJABRN CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(-c2ccncc2)n1 ZINC000328970385 570210112 /nfs/dbraw/zinc/21/01/12/570210112.db2.gz DKPRXWJFTMLPCN-CYBMUJFWSA-N 0 0 385.418 4.516 40 0 GJABRN Fc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)c(F)c1F ZINC000329014352 570212512 /nfs/dbraw/zinc/21/25/12/570212512.db2.gz MUYVKQSTOZIIPS-UHFFFAOYSA-N 0 0 398.432 4.893 40 0 GJABRN CC(C)n1c2cc(C(=O)N3CCCCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146460 570214058 /nfs/dbraw/zinc/21/40/58/570214058.db2.gz RNWOLNATTGIXBL-UHFFFAOYSA-N 0 0 387.487 4.582 40 0 GJABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccncc2)nc(NC2CCCC2)n1 ZINC000329067705 570216421 /nfs/dbraw/zinc/21/64/21/570216421.db2.gz YKGNDLZZJSBLND-UHFFFAOYSA-N 0 0 393.922 4.751 40 0 GJABRN Cc1nn2c(nnc3c2ccn(-c2ccc(C(C)C)cc2)c3=O)c1-c1ccccc1 ZINC000019818875 570221913 /nfs/dbraw/zinc/22/19/13/570221913.db2.gz UPDQORXIXFSXAJ-UHFFFAOYSA-N 0 0 395.466 4.527 40 0 GJABRN Brc1cccc(CSc2nnc(COc3ccccc3)o2)c1 ZINC000019929088 570230527 /nfs/dbraw/zinc/23/05/27/570230527.db2.gz AIUGVLGNDXYIFT-UHFFFAOYSA-N 0 0 377.263 4.703 40 0 GJABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000020042063 570236842 /nfs/dbraw/zinc/23/68/42/570236842.db2.gz RNYOZCZVEPEZCR-IBGZPJMESA-N 0 0 393.936 4.887 40 0 GJABRN COc1ccc(SCC(=O)NC(c2ccccc2)c2ccccc2)cc1OC ZINC000020043301 570236854 /nfs/dbraw/zinc/23/68/54/570236854.db2.gz ALDRYUNDWYWOSA-UHFFFAOYSA-N 0 0 393.508 4.702 40 0 GJABRN CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(F)cc2)cc1 ZINC000020107068 570240017 /nfs/dbraw/zinc/24/00/17/570240017.db2.gz IBXUAGZLDFVSAF-UHFFFAOYSA-N 0 0 375.465 4.655 40 0 GJABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(OC)c(-c3ccc(CO)o3)c2)c1 ZINC000020142226 570243017 /nfs/dbraw/zinc/24/30/17/570243017.db2.gz DCSHZZOVKVXJJB-HNNXBMFYSA-N 0 0 395.455 4.877 40 0 GJABRN CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)c(Cl)c1 ZINC000020451524 570257347 /nfs/dbraw/zinc/25/73/47/570257347.db2.gz STCMRNMVIFECAN-UHFFFAOYSA-N 0 0 383.831 4.931 40 0 GJABRN O=C(NC1CCCCC1)[C@@H](OC(=O)c1cccs1)c1ccc(Cl)cc1 ZINC000001361106 570261210 /nfs/dbraw/zinc/26/12/10/570261210.db2.gz FQMSLRUCUOZDNH-KRWDZBQOSA-N 0 0 377.893 4.749 40 0 GJABRN Cc1cccc(C(=O)Nc2ccccc2N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000001362842 570261276 /nfs/dbraw/zinc/26/12/76/570261276.db2.gz HYADUXBMAKLSLV-UHFFFAOYSA-N 0 0 389.474 4.713 40 0 GJABRN Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 ZINC000001380174 570261447 /nfs/dbraw/zinc/26/14/47/570261447.db2.gz DVWAFBIUNVTQKX-QFIPXVFZSA-N 0 0 394.515 4.773 40 0 GJABRN Cc1cccnc1Nc1cc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)nc(C)n1 ZINC000585293241 570262311 /nfs/dbraw/zinc/26/23/11/570262311.db2.gz SPIMIXQJHZPELF-IWGBCORSSA-N 0 0 399.498 4.609 40 0 GJABRN COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OC ZINC000020488340 570262426 /nfs/dbraw/zinc/26/24/26/570262426.db2.gz QHUFIXKBOFMTHK-LSDHHAIUSA-N 0 0 391.895 4.619 40 0 GJABRN COc1ccccc1CN(C)C(=O)CSCc1c(Cl)cccc1Cl ZINC000020489389 570262821 /nfs/dbraw/zinc/26/28/21/570262821.db2.gz ALBVVLOOWHEKBC-UHFFFAOYSA-N 0 0 384.328 4.894 40 0 GJABRN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1Cl ZINC000020609919 570271816 /nfs/dbraw/zinc/27/18/16/570271816.db2.gz UBMYCKNZKZBCRN-UHFFFAOYSA-N 0 0 392.846 4.643 40 0 GJABRN CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)c1 ZINC000020610114 570271891 /nfs/dbraw/zinc/27/18/91/570271891.db2.gz RVNWTZXUUJYZGW-UHFFFAOYSA-N 0 0 386.455 4.634 40 0 GJABRN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4)cc3n2)cc1Cl ZINC000020610699 570272070 /nfs/dbraw/zinc/27/20/70/570272070.db2.gz NUWTVBPJIMHSKS-UHFFFAOYSA-N 0 0 392.846 4.643 40 0 GJABRN Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C(C)C)CC2)on1 ZINC000100743785 570275991 /nfs/dbraw/zinc/27/59/91/570275991.db2.gz WTMKKAWNKUIDCR-CALCHBBNSA-N 0 0 384.524 4.609 40 0 GJABRN Cc1c(C(=O)Nc2ccccc2)nnc2c(-c3ccc(F)cc3)c(C(C)C)nn21 ZINC000020797824 570280674 /nfs/dbraw/zinc/28/06/74/570280674.db2.gz XJUBSGZWBGELSB-UHFFFAOYSA-N 0 0 389.434 4.615 40 0 GJABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)COc1ccc(OC)cc1 ZINC000216265424 570297920 /nfs/dbraw/zinc/29/79/20/570297920.db2.gz QEFDTDJZPYIPHF-HTAPYJJXSA-N 0 0 393.483 4.590 40 0 GJABRN COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(F)cc3)sc2C)cc1 ZINC000003268938 570300282 /nfs/dbraw/zinc/30/02/82/570300282.db2.gz CYRZCMBLKZQOMB-UHFFFAOYSA-N 0 0 398.459 4.868 40 0 GJABRN CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000216824748 570302018 /nfs/dbraw/zinc/30/20/18/570302018.db2.gz YRUAJHZTLYWCMD-UHFFFAOYSA-N 0 0 380.231 4.603 40 0 GJABRN O=C(Nc1ccccc1F)c1cccnc1Nc1ccccc1Br ZINC000022072851 570304646 /nfs/dbraw/zinc/30/46/46/570304646.db2.gz VCAOXEOYYBEKKH-UHFFFAOYSA-N 0 0 386.224 4.979 40 0 GJABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccccc1C ZINC000021580727 570306668 /nfs/dbraw/zinc/30/66/68/570306668.db2.gz WVERIMCTIKEHHI-UHFFFAOYSA-N 0 0 387.439 4.564 40 0 GJABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(C)c1OC ZINC000021580417 570306718 /nfs/dbraw/zinc/30/67/18/570306718.db2.gz QYBBAFMRDSODQL-UHFFFAOYSA-N 0 0 387.439 4.808 40 0 GJABRN Cc1ccc2c(cccc2NC(=S)NC(=O)c2cccc(OCC(C)C)c2)n1 ZINC000021595359 570306988 /nfs/dbraw/zinc/30/69/88/570306988.db2.gz HYHFWFNLFWXZFK-UHFFFAOYSA-N 0 0 393.512 4.705 40 0 GJABRN CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2ccccc21 ZINC000022234417 570308811 /nfs/dbraw/zinc/30/88/11/570308811.db2.gz QPQPLBGECUMDNF-UHFFFAOYSA-N 0 0 394.780 4.946 40 0 GJABRN Cn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2cc(F)ccc21 ZINC000022236315 570309114 /nfs/dbraw/zinc/30/91/14/570309114.db2.gz MNZSAPMCGGHLCA-UHFFFAOYSA-N 0 0 398.743 4.602 40 0 GJABRN CCc1ccc(NC(=O)c2cn(CC)c3ccc(C(F)(F)F)cc3c2=O)cc1 ZINC000022236738 570309612 /nfs/dbraw/zinc/30/96/12/570309612.db2.gz RLELWUCUONSQHE-UHFFFAOYSA-N 0 0 388.389 4.855 40 0 GJABRN CC[C@@H](C)Nc1ccc([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000072213575 570314031 /nfs/dbraw/zinc/31/40/31/570314031.db2.gz NQDYRELIMKYKSL-YLJYHZDGSA-N 0 0 387.549 4.516 40 0 GJABRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(NC3CCCC3)nc2)cc1 ZINC000072213996 570314228 /nfs/dbraw/zinc/31/42/28/570314228.db2.gz DGERPXGFXKQWIZ-OAQYLSRUSA-N 0 0 399.560 4.660 40 0 GJABRN CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072214414 570314575 /nfs/dbraw/zinc/31/45/75/570314575.db2.gz PZFYRXPSSCNJNS-SFHVURJKSA-N 0 0 381.476 4.796 40 0 GJABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCCN1C=O ZINC000072215894 570317095 /nfs/dbraw/zinc/31/70/95/570317095.db2.gz JBDPXDSPOSYNHU-IBGZPJMESA-N 0 0 381.476 4.838 40 0 GJABRN Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)cnc1N1CCCC1 ZINC000072218831 570317922 /nfs/dbraw/zinc/31/79/22/570317922.db2.gz ZPEFMSGNPXTHIM-OAQYLSRUSA-N 0 0 379.504 4.854 40 0 GJABRN Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218891 570318203 /nfs/dbraw/zinc/31/82/03/570318203.db2.gz FAYONVJBHRZOLM-OAQYLSRUSA-N 0 0 379.504 4.854 40 0 GJABRN Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000022514199 570319020 /nfs/dbraw/zinc/31/90/20/570319020.db2.gz XIXUXERUMUJUJE-GOSISDBHSA-N 0 0 393.458 4.797 40 0 GJABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000022522053 570319897 /nfs/dbraw/zinc/31/98/97/570319897.db2.gz QHTUSZWQHQLWQL-QGZVFWFLSA-N 0 0 375.852 4.540 40 0 GJABRN Cc1nccn1-c1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000022523046 570320117 /nfs/dbraw/zinc/32/01/17/570320117.db2.gz NUVFLILMTFJEEM-XQNSMLJCSA-N 0 0 383.451 4.631 40 0 GJABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000022527041 570320414 /nfs/dbraw/zinc/32/04/14/570320414.db2.gz PTYCQVNDHJLTCG-HXUWFJFHSA-N 0 0 388.964 4.555 40 0 GJABRN Cc1nccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000022526543 570320576 /nfs/dbraw/zinc/32/05/76/570320576.db2.gz UBYIZULWXNQVOX-QGZVFWFLSA-N 0 0 391.515 4.562 40 0 GJABRN CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)ccc1Cl ZINC000022535064 570321206 /nfs/dbraw/zinc/32/12/06/570321206.db2.gz XFOISHMWPLYBCB-CQSZACIVSA-N 0 0 375.852 4.540 40 0 GJABRN S=C(c1cccc(OCc2c(Cl)cccc2Cl)c1)N1CCOCC1 ZINC000408573298 570340738 /nfs/dbraw/zinc/34/07/38/570340738.db2.gz JRQYQBFPMRYAPK-UHFFFAOYSA-N 0 0 382.312 4.580 40 0 GJABRN COc1cccc(CNC(=S)c2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000408573748 570341139 /nfs/dbraw/zinc/34/11/39/570341139.db2.gz KGGSPDPCRAQXMQ-UHFFFAOYSA-N 0 0 393.508 4.748 40 0 GJABRN CC(C)c1ccc(OCC(=O)N2CCc3ccccc3C2)c(Br)c1 ZINC000218868917 570342439 /nfs/dbraw/zinc/34/24/39/570342439.db2.gz FKVGJMSMRIZEKQ-UHFFFAOYSA-N 0 0 388.305 4.536 40 0 GJABRN CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C)ccc2C)c(Br)c1 ZINC000218863551 570342479 /nfs/dbraw/zinc/34/24/79/570342479.db2.gz NLSQCRNYAKTQCI-HNNXBMFYSA-N 0 0 390.321 4.885 40 0 GJABRN S=C(c1ccc(OCc2c(Cl)cccc2Cl)cc1)N1CCOCC1 ZINC000408577701 570343238 /nfs/dbraw/zinc/34/32/38/570343238.db2.gz UKOPMVPHEUYXNO-UHFFFAOYSA-N 0 0 382.312 4.580 40 0 GJABRN Cc1ccccc1CNC(=O)COc1ccc2ccccc2c1Br ZINC000218902309 570343562 /nfs/dbraw/zinc/34/35/62/570343562.db2.gz BMXHSLGHKACZMX-UHFFFAOYSA-N 0 0 384.273 4.606 40 0 GJABRN CC(C)(C)c1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000218928283 570343758 /nfs/dbraw/zinc/34/37/58/570343758.db2.gz VFGXNDUZTMPUFK-UHFFFAOYSA-N 0 0 377.937 4.925 40 0 GJABRN Cc1cccc(CCCNC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000218945536 570344197 /nfs/dbraw/zinc/34/41/97/570344197.db2.gz LWWPXOWMSLFRMP-UHFFFAOYSA-N 0 0 396.712 4.539 40 0 GJABRN O=C(NCCSCc1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000218975783 570344850 /nfs/dbraw/zinc/34/48/50/570344850.db2.gz NNZYGQCUOABMOZ-UHFFFAOYSA-N 0 0 377.509 4.929 40 0 GJABRN Cc1cc(C)cc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 ZINC000006084127 570346551 /nfs/dbraw/zinc/34/65/51/570346551.db2.gz IILBYPMIQXEYFO-ZDUSSCGKSA-N 0 0 396.270 4.559 40 0 GJABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc3ccccc32)c(C)c1 ZINC000219041848 570346659 /nfs/dbraw/zinc/34/66/59/570346659.db2.gz UEZAVQJIJURBQK-INIZCTEOSA-N 0 0 377.440 4.731 40 0 GJABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)Oc2cccc3ccccc32)c1 ZINC000219041672 570346668 /nfs/dbraw/zinc/34/66/68/570346668.db2.gz CFFWKUXXIUSRIA-INIZCTEOSA-N 0 0 377.440 4.731 40 0 GJABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCc2cccc(OC(C)C)c2)c1 ZINC000219301411 570352222 /nfs/dbraw/zinc/35/22/22/570352222.db2.gz PDNFFFSJYUVXQL-FQEVSTJZSA-N 0 0 383.532 4.915 40 0 GJABRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219314185 570354391 /nfs/dbraw/zinc/35/43/91/570354391.db2.gz ODXDUCHDDNAPSW-RBUKOAKNSA-N 0 0 383.488 4.580 40 0 GJABRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1 ZINC000219330183 570355098 /nfs/dbraw/zinc/35/50/98/570355098.db2.gz YPULCBOTHUDQEK-JOCHJYFZSA-N 0 0 383.532 4.999 40 0 GJABRN CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc(C)c1C ZINC000219366814 570356827 /nfs/dbraw/zinc/35/68/27/570356827.db2.gz BYPOMFLNIALPNP-NRFANRHFSA-N 0 0 383.532 4.999 40 0 GJABRN CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cccc(C)c1C ZINC000219366734 570356934 /nfs/dbraw/zinc/35/69/34/570356934.db2.gz BYPOMFLNIALPNP-OAQYLSRUSA-N 0 0 383.532 4.999 40 0 GJABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219369149 570357331 /nfs/dbraw/zinc/35/73/31/570357331.db2.gz NBFMMDOUQYIUQG-VQTJNVASSA-N 0 0 397.515 4.888 40 0 GJABRN Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)c2n1 ZINC000057315720 570360421 /nfs/dbraw/zinc/36/04/21/570360421.db2.gz YYRHRYJKRJUIRU-UHFFFAOYSA-N 0 0 393.512 4.705 40 0 GJABRN CC1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2Cl)CC1 ZINC000057315950 570360724 /nfs/dbraw/zinc/36/07/24/570360724.db2.gz KBJHMRYFHYHKRA-UHFFFAOYSA-N 0 0 386.908 4.833 40 0 GJABRN CC(C)[C@@H](c1nnnn1C(C)(C)C)N(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000057614122 570365907 /nfs/dbraw/zinc/36/59/07/570365907.db2.gz UVOAHZDSQFHIHG-NRFANRHFSA-N 0 0 395.526 4.967 40 0 GJABRN CC(C)[C@H](c1nnnn1C(C)(C)C)N(Cc1cccs1)Cc1ccccc1 ZINC000057614146 570365934 /nfs/dbraw/zinc/36/59/34/570365934.db2.gz CFQDHJAYMGIKSH-LJQANCHMSA-N 0 0 383.565 4.889 40 0 GJABRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 ZINC000118914990 570367065 /nfs/dbraw/zinc/36/70/65/570367065.db2.gz GSSIBIORSPCRIO-JASYKLOUSA-N 0 0 376.537 4.704 40 0 GJABRN CCc1ccc(-n2nc3cc(C)c(NC(=O)C(Cl)(Cl)Cl)cc3n2)cc1 ZINC000408619932 570368553 /nfs/dbraw/zinc/36/85/53/570368553.db2.gz DMOCWKZAUNJOCV-UHFFFAOYSA-N 0 0 397.693 4.600 40 0 GJABRN COc1cccc(OC)c1C(=O)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000004331425 570368561 /nfs/dbraw/zinc/36/85/61/570368561.db2.gz LPVBECNMRPZRBQ-UHFFFAOYSA-N 0 0 383.256 4.873 40 0 GJABRN CCOc1ccccc1NC(=S)NC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000408617545 570369775 /nfs/dbraw/zinc/36/97/75/570369775.db2.gz AQEXWTXBFLLQQI-UHFFFAOYSA-N 0 0 399.299 4.528 40 0 GJABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 ZINC000219596595 570369790 /nfs/dbraw/zinc/36/97/90/570369790.db2.gz LWKSYLCDJDSVHD-VQTJNVASSA-N 0 0 383.488 4.580 40 0 GJABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1 ZINC000219606585 570370921 /nfs/dbraw/zinc/37/09/21/570370921.db2.gz ADMJUJBHEPBHTM-GOSISDBHSA-N 0 0 375.852 4.621 40 0 GJABRN CC(C)(C)OC(=O)N1CCC[C@@H](c2ccnc3cc(-c4ccccc4)nn32)C1 ZINC000057729164 570371367 /nfs/dbraw/zinc/37/13/67/570371367.db2.gz IPGIOJSRWBNXGC-QGZVFWFLSA-N 0 0 378.476 4.511 40 0 GJABRN Cn1ccnc1-c1nc(NCc2cccc(F)c2)ncc1-c1ccc(Cl)cc1 ZINC000057775076 570373573 /nfs/dbraw/zinc/37/35/73/570373573.db2.gz AGOSPPGVTMRYBZ-UHFFFAOYSA-N 0 0 393.853 4.949 40 0 GJABRN CCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000006657342 570380345 /nfs/dbraw/zinc/38/03/45/570380345.db2.gz WJFUHDQIIIAPHV-OQLLNIDSSA-N 0 0 392.820 4.955 40 0 GJABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(Cl)c3)nc21 ZINC000408628940 570380928 /nfs/dbraw/zinc/38/09/28/570380928.db2.gz YKQXVQOYIGZLNE-UHFFFAOYSA-N 0 0 375.906 4.693 40 0 GJABRN Cc1cc(NC(=O)COc2ccccc2)ccc1-c1cc2ccccc2oc1=O ZINC000408629030 570381125 /nfs/dbraw/zinc/38/11/25/570381125.db2.gz INGXPDDHKOGSJM-UHFFFAOYSA-N 0 0 385.419 4.786 40 0 GJABRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)nc2c1 ZINC000408629117 570381246 /nfs/dbraw/zinc/38/12/46/570381246.db2.gz ZNMFYOXFLVFRIP-UHFFFAOYSA-N 0 0 381.501 4.916 40 0 GJABRN CC(=O)Nc1ccc(NC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000024523013 570402908 /nfs/dbraw/zinc/40/29/08/570402908.db2.gz JEOBITAUWFRFEY-UHFFFAOYSA-N 0 0 398.422 4.614 40 0 GJABRN Cc1ccccc1CN(C(=O)Nc1ccccc1)c1nnc2n1CCCCC2 ZINC000016769805 570403447 /nfs/dbraw/zinc/40/34/47/570403447.db2.gz HWIXUJPJNLUULF-UHFFFAOYSA-N 0 0 375.476 4.552 40 0 GJABRN Cn1cccc1CN(C(=O)c1ccc2c(c1)nc(Cl)n2C)C1CCCCC1 ZINC000222555172 570414283 /nfs/dbraw/zinc/41/42/83/570414283.db2.gz DHIZJELCENHKBX-UHFFFAOYSA-N 0 0 384.911 4.540 40 0 GJABRN CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222585663 570415323 /nfs/dbraw/zinc/41/53/23/570415323.db2.gz AXLBDFUAKRFIPY-QHCPKHFHSA-N 0 0 394.559 4.507 40 0 GJABRN COc1ccc2ccccc2c1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222586856 570415799 /nfs/dbraw/zinc/41/57/99/570415799.db2.gz WCFJTWVQURELEN-SZFUDVHCSA-N 0 0 375.497 4.833 40 0 GJABRN COc1ccc2nc(C)c(C(=O)Nc3ccc(Br)cc3F)cc2c1 ZINC000025765713 570419166 /nfs/dbraw/zinc/41/91/66/570419166.db2.gz ZYNMKRVCGHTHKF-UHFFFAOYSA-N 0 0 389.224 4.706 40 0 GJABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](C)COc1ccccc1C ZINC000222689474 570420990 /nfs/dbraw/zinc/42/09/90/570420990.db2.gz VSIHRQQKNUNGGV-PGRDOPGGSA-N 0 0 381.516 4.615 40 0 GJABRN C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000222700175 570421238 /nfs/dbraw/zinc/42/12/38/570421238.db2.gz HAXXTPYKIBKGOQ-QGZVFWFLSA-N 0 0 389.451 4.528 40 0 GJABRN COc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)c1 ZINC000222723471 570422348 /nfs/dbraw/zinc/42/23/48/570422348.db2.gz AHEFUASUYXTBAC-UHFFFAOYSA-N 0 0 398.355 4.984 40 0 GJABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)o1 ZINC000222760298 570424466 /nfs/dbraw/zinc/42/44/66/570424466.db2.gz ZXXPAWTXQMJMPI-RBUKOAKNSA-N 0 0 383.904 4.906 40 0 GJABRN Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222768619 570424966 /nfs/dbraw/zinc/42/49/66/570424966.db2.gz PFFZIEUTWRJJFT-HXUWFJFHSA-N 0 0 394.559 4.568 40 0 GJABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 ZINC000222799934 570426386 /nfs/dbraw/zinc/42/63/86/570426386.db2.gz BLWFVNTVBJKQTM-VQTJNVASSA-N 0 0 396.947 4.827 40 0 GJABRN CSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 ZINC000222802569 570426839 /nfs/dbraw/zinc/42/68/39/570426839.db2.gz FSWKDELOMSUULX-RGEXLXHISA-N 0 0 392.480 4.720 40 0 GJABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(SC(C)C)s2)c1 ZINC000222813385 570427128 /nfs/dbraw/zinc/42/71/28/570427128.db2.gz MSTVSXUHUPUMHC-CYBMUJFWSA-N 0 0 379.551 4.876 40 0 GJABRN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1Cl ZINC000222847189 570428711 /nfs/dbraw/zinc/42/87/11/570428711.db2.gz GTPHMPWNDBEGHV-AWEZNQCLSA-N 0 0 388.895 4.583 40 0 GJABRN CCOc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000222850970 570428965 /nfs/dbraw/zinc/42/89/65/570428965.db2.gz PCGCDTYMBKYBMM-MRXNPFEDSA-N 0 0 375.896 4.563 40 0 GJABRN Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccccc2F)ccc1Cl ZINC000222850376 570428982 /nfs/dbraw/zinc/42/89/82/570428982.db2.gz GAIHUHGQQUAZND-AWEZNQCLSA-N 0 0 381.900 4.604 40 0 GJABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C ZINC000222884673 570429857 /nfs/dbraw/zinc/42/98/57/570429857.db2.gz WKBUKALJRKVXCW-SFTDATJTSA-N 0 0 376.529 4.563 40 0 GJABRN CCc1ccc(O[C@H](CC)C(=O)NCCCc2ccc(OC(C)C)cc2)cc1 ZINC000222895178 570430457 /nfs/dbraw/zinc/43/04/57/570430457.db2.gz LCLSUMNVANAOSZ-HSZRJFAPSA-N 0 0 383.532 4.943 40 0 GJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 ZINC000222949284 570432614 /nfs/dbraw/zinc/43/26/14/570432614.db2.gz RHONZNLJNCFYLU-CABCVRRESA-N 0 0 396.379 4.678 40 0 GJABRN Cc1cccc(C(=O)OCC(=O)Nc2cc(Cl)c(Br)cc2C)c1 ZINC000007940003 570437236 /nfs/dbraw/zinc/43/72/36/570437236.db2.gz AVRRIIHORCDRBG-UHFFFAOYSA-N 0 0 396.668 4.515 40 0 GJABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)C(C)C ZINC000223061388 570441272 /nfs/dbraw/zinc/44/12/72/570441272.db2.gz QQFWGGCZBRHGNG-QHCPKHFHSA-N 0 0 394.559 4.589 40 0 GJABRN CC[C@H](NS(=O)(=O)Cc1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223077365 570441680 /nfs/dbraw/zinc/44/16/80/570441680.db2.gz FEFJNTGHMKEONQ-FQEVSTJZSA-N 0 0 395.927 4.929 40 0 GJABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1C(C)C ZINC000223079641 570442066 /nfs/dbraw/zinc/44/20/66/570442066.db2.gz VWTSWOTXESCQRH-UHFFFAOYSA-N 0 0 387.423 4.947 40 0 GJABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223097917 570443290 /nfs/dbraw/zinc/44/32/90/570443290.db2.gz VFRFBPKSZXGESW-QHCPKHFHSA-N 0 0 394.559 4.604 40 0 GJABRN CCCCOc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1C(C)(C)C ZINC000027823431 570443847 /nfs/dbraw/zinc/44/38/47/570443847.db2.gz OYPSGONUYNEJFH-IAGOWNOFSA-N 0 0 381.582 4.830 40 0 GJABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Br)cc1F ZINC000223110942 570444225 /nfs/dbraw/zinc/44/42/25/570444225.db2.gz GNVVGTOTHOIQBY-GFCCVEGCSA-N 0 0 392.268 4.873 40 0 GJABRN O=C(Nc1ccccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039766243 570446186 /nfs/dbraw/zinc/44/61/86/570446186.db2.gz BXCNZNCZGHADMO-UHFFFAOYSA-N 0 0 381.278 4.983 40 0 GJABRN CC[C@H](NC(=O)c1ccc(Cn2ccnc2C)cc1)c1ccc2c(c1)CCCC2 ZINC000223140664 570446400 /nfs/dbraw/zinc/44/64/00/570446400.db2.gz HOOOQKDTCSGRIT-DEOSSOPVSA-N 0 0 387.527 5.000 40 0 GJABRN CC[C@@H](NS(=O)(=O)c1cc(C)c(OC)cc1C)c1ccc2c(c1)CCCC2 ZINC000223138432 570446445 /nfs/dbraw/zinc/44/64/45/570446445.db2.gz DRPLTVLRRZVDED-HXUWFJFHSA-N 0 0 387.545 4.620 40 0 GJABRN COc1ccc(-c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(C)n2)cc1 ZINC000223142349 570446720 /nfs/dbraw/zinc/44/67/20/570446720.db2.gz CKEZMAKOCDDWAF-UHFFFAOYSA-N 0 0 387.361 4.732 40 0 GJABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N(CC)CC ZINC000008041790 570449529 /nfs/dbraw/zinc/44/95/29/570449529.db2.gz LMGMCXMVKMONIS-LJQANCHMSA-N 0 0 388.895 4.618 40 0 GJABRN COc1ccc(-c2nnc(NC(=O)CCc3cccc4ccccc43)s2)cc1 ZINC000223204761 570449767 /nfs/dbraw/zinc/44/97/67/570449767.db2.gz MOGGTZIZZZCGER-UHFFFAOYSA-N 0 0 389.480 4.938 40 0 GJABRN O=C1[C@@H]2C=CC=C[C@H]2N=C(SCc2ccc(F)cc2)N1Cc1ccccc1 ZINC000005682906 570451300 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Cc1ccc([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000020110467 210315621 /nfs/dbraw/zinc/31/56/21/210315621.db2.gz YLEGDCTXJJCRBQ-LBPRGKRZSA-N 0 0 382.685 4.667 40 0 GJABRN CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1OCC ZINC000020047515 210314665 /nfs/dbraw/zinc/31/46/65/210314665.db2.gz BOEUDYMVYPHSMT-FQEVSTJZSA-N 0 0 385.504 4.575 40 0 GJABRN Cc1onc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1CN(C)C ZINC000019714775 210286723 /nfs/dbraw/zinc/28/67/23/210286723.db2.gz KMCZCGQAXSYNTI-UHFFFAOYSA-N 0 0 392.484 4.574 40 0 GJABRN O=C(CC1(O)CCCCC1)N1CCC[C@H]1c1ccc(Cc2cccc(F)c2)cn1 ZINC000019688555 210282390 /nfs/dbraw/zinc/28/23/90/210282390.db2.gz WLYZXGXVLUUFBL-QFIPXVFZSA-N 0 0 396.506 4.560 40 0 GJABRN COc1ccccc1-c1noc(C)c1C(=O)N[C@@H](C)CCc1ccc(F)cc1 ZINC000019579658 210269785 /nfs/dbraw/zinc/26/97/85/210269785.db2.gz ZCOGBIWTYGQSCX-AWEZNQCLSA-N 0 0 382.435 4.549 40 0 GJABRN COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(C)cc2)cc1 ZINC000408698414 533219182 /nfs/dbraw/zinc/21/91/82/533219182.db2.gz NONMHFCZQLLXDG-UHFFFAOYSA-N 0 0 398.466 4.812 40 0 GJABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@@H]1c1cnn(C)c1 ZINC000012119520 221152717 /nfs/dbraw/zinc/15/27/17/221152717.db2.gz AWMGVDAYNMBQPC-GOSISDBHSA-N 0 0 398.894 4.794 40 0 GJABRN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@H]1c1ccn(C)n1 ZINC000012119548 221152811 /nfs/dbraw/zinc/15/28/11/221152811.db2.gz VFUBDZICIWAYPZ-SFHVURJKSA-N 0 0 398.894 4.794 40 0 GJABRN COc1ccc(/C=C(/C(=O)Nc2cccc(NC(C)=O)c2)c2ccccc2)cc1 ZINC000408563003 533223416 /nfs/dbraw/zinc/22/34/16/533223416.db2.gz HMGCDTYCFQNFKH-HZHRSRAPSA-N 0 0 386.451 4.833 40 0 GJABRN COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1-c1ccc(CO)o1 ZINC000020143609 221474835 /nfs/dbraw/zinc/47/48/35/221474835.db2.gz PFIVVRCDGJJQRM-UHFFFAOYSA-N 0 0 391.467 4.898 40 0 GJABRN COCCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000409144382 533341308 /nfs/dbraw/zinc/34/13/08/533341308.db2.gz FOURNZAHKNFUNP-ZROIWOOFSA-N 0 0 398.267 4.936 40 0 GJABRN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(C)cc(C)c1 ZINC000408620785 533422723 /nfs/dbraw/zinc/42/27/23/533422723.db2.gz KAKVSYHSHVXSKY-UHFFFAOYSA-N 0 0 383.300 4.746 40 0 GJABRN COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1O ZINC000409055807 533474224 /nfs/dbraw/zinc/47/42/24/533474224.db2.gz FCDBXMQJWAHKCW-ZSOIEALJSA-N 0 0 396.251 4.949 40 0 GJABRN COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000408698114 533615456 /nfs/dbraw/zinc/61/54/56/533615456.db2.gz NTDQRQSAGKONBD-UHFFFAOYSA-N 0 0 398.466 4.812 40 0 GJABRN CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)c1ccc(N2CCCCC2)cc1 ZINC000057719722 136153776 /nfs/dbraw/zinc/15/37/76/136153776.db2.gz DCEMYCINOLWCPR-UHFFFAOYSA-N 0 0 391.515 4.554 40 0 GJABRN Cc1ccc(N2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)cc1 ZINC000219857803 136204321 /nfs/dbraw/zinc/20/43/21/136204321.db2.gz CRYJCMKREPWRPW-UHFFFAOYSA-N 0 0 391.284 4.752 40 0 GJABRN O=C(CCc1cccc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222666692 136204904 /nfs/dbraw/zinc/20/49/04/136204904.db2.gz HZLYADLLWSXIGO-UHFFFAOYSA-N 0 0 378.903 4.775 40 0 GJABRN 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/nfs/dbraw/zinc/18/30/96/534183096.db2.gz OGDAFWYUUYVOFN-UHFFFAOYSA-N 0 0 398.466 4.812 40 0 GJABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCc3ccccc3C2)cc1 ZINC000408678686 534184836 /nfs/dbraw/zinc/18/48/36/534184836.db2.gz UQJVUHVABDSRTC-UHFFFAOYSA-N 0 0 394.474 4.682 40 0 GJABRN COc1ccccc1OCCCn1cc(C=O)c2cc(Br)ccc21 ZINC000006298647 534198303 /nfs/dbraw/zinc/19/83/03/534198303.db2.gz WFDKWZQBCDLQRD-UHFFFAOYSA-N 0 0 388.261 4.694 40 0 GJABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(F)cc2)cc1 ZINC000408696998 534209725 /nfs/dbraw/zinc/20/97/25/534209725.db2.gz DLZLJDQDGRNDOU-UHFFFAOYSA-N 0 0 390.393 4.773 40 0 GJABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3c(Cl)cccc3Cl)o2)cc1 ZINC000408713916 534222861 /nfs/dbraw/zinc/22/28/61/534222861.db2.gz COPUYFDARAXGQJ-UHFFFAOYSA-N 0 0 376.243 4.624 40 0 GJABRN COC(=O)c1cccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)c1 ZINC000409083186 534250804 /nfs/dbraw/zinc/25/08/04/534250804.db2.gz AAKBZJNVBUKCCJ-UNOMPAQXSA-N 0 0 377.421 4.819 40 0 GJABRN Cc1ccc2[nH]c(SCc3ccc(I)cc3)nc2c1 ZINC000105868020 534359633 /nfs/dbraw/zinc/35/96/33/534359633.db2.gz KSULVLOEFIMRJO-UHFFFAOYSA-N 0 0 380.254 4.768 40 0 GJABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(F)cc2)c1 ZINC000408697164 534555751 /nfs/dbraw/zinc/55/57/51/534555751.db2.gz FLLLBZOURGFZEE-UHFFFAOYSA-N 0 0 390.393 4.773 40 0 GJABRN O=C1N/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccccc1 ZINC000409207102 534780800 /nfs/dbraw/zinc/78/08/00/534780800.db2.gz PDQTVFSTCFHMBI-AQTBWJFISA-N 0 0 376.437 4.524 40 0 GJABRN O=C(C(=O)N1CCCCC1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408571942 534806759 /nfs/dbraw/zinc/80/67/59/534806759.db2.gz QAUHHPUHBLQNSN-UHFFFAOYSA-N 0 0 380.875 4.538 40 0 GJABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000408575333 526325558 /nfs/dbraw/zinc/32/55/58/526325558.db2.gz JWVTYGZMLGNDSD-CAPFRKAQSA-N 0 0 388.467 4.987 40 0 GJABRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC(=O)[C@]4(C)[C@@H](C(C)=O)CC[C@H]4[C@@H]3CC[C@@]2(C)C1 ZINC000118930412 527118132 /nfs/dbraw/zinc/11/81/32/527118132.db2.gz UKIIXHVIHAJCMP-HLUGGLNXSA-N 0 0 388.548 4.735 40 0 GJABRN CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000408673500 527380191 /nfs/dbraw/zinc/38/01/91/527380191.db2.gz WZMFLYNATZZSSD-IBGZPJMESA-N 0 0 399.490 4.971 40 0 GJABRN CCCCC(=O)Nc1ccccc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000014405224 528093531 /nfs/dbraw/zinc/09/35/31/528093531.db2.gz VJSMYFKWGZCXFD-UHFFFAOYSA-N 0 0 390.487 4.870 40 0 GJABRN CCOC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CCC2 ZINC000103795355 528131858 /nfs/dbraw/zinc/13/18/58/528131858.db2.gz VXMZGZHCVXCRCN-ZDUSSCGKSA-N 0 0 389.542 4.674 40 0 GJABRN CCOc1c(Br)cc(C(=O)Nc2ccc(F)c(C)c2)cc1OC ZINC000302766652 528166357 /nfs/dbraw/zinc/16/63/57/528166357.db2.gz INJILOIOSDUZKY-UHFFFAOYSA-N 0 0 382.229 4.556 40 0 GJABRN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(Cl)cc1OC ZINC000408901672 528195970 /nfs/dbraw/zinc/19/59/70/528195970.db2.gz HCAANBWSXXIFDN-LICLKQGHSA-N 0 0 389.860 4.988 40 0 GJABRN CCOc1cc(Br)c(/C=C2\C(=O)Nc3ccccc32)cc1OCC ZINC000409114200 528201262 /nfs/dbraw/zinc/20/12/62/528201262.db2.gz DNQFOAAZPNFLSD-ZROIWOOFSA-N 0 0 388.261 4.739 40 0 GJABRN CCOc1cc(CNc2cccc(C)c2C)cc(I)c1O ZINC000409115225 528286925 /nfs/dbraw/zinc/28/69/25/528286925.db2.gz JNHNGNLLGNVFDO-UHFFFAOYSA-N 0 0 397.256 4.624 40 0 GJABRN CCC(C)(C)C1CCC(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)CC1 ZINC000408710238 528489343 /nfs/dbraw/zinc/48/93/43/528489343.db2.gz UFHLKZBXLNYLMK-UHFFFAOYSA-N 0 0 378.601 4.819 40 0 GJABRN CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000408708770 528490584 /nfs/dbraw/zinc/49/05/84/528490584.db2.gz SLMQDYQMKTYHJD-HJOIGYKYSA-N 0 0 390.955 4.804 40 0 GJABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)OC(C)(C)C)N2 ZINC000409362051 528595043 /nfs/dbraw/zinc/59/50/43/528595043.db2.gz RSQHNRCEXYEWSP-BWACUDIHSA-N 0 0 378.435 4.697 40 0 GJABRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000408673439 528607517 /nfs/dbraw/zinc/60/75/17/528607517.db2.gz WWAFHUDVBWMWKC-GOSISDBHSA-N 0 0 379.500 4.950 40 0 GJABRN CCCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000408556616 528726869 /nfs/dbraw/zinc/72/68/69/528726869.db2.gz JTKUSTGMWMKZLG-LJQANCHMSA-N 0 0 377.893 4.916 40 0 GJABRN CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000409104396 528821520 /nfs/dbraw/zinc/82/15/20/528821520.db2.gz YWBNKLHOGWKAGX-UHFFFAOYSA-N 0 0 386.908 4.739 40 0 GJABRN CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1 ZINC000409095197 528822425 /nfs/dbraw/zinc/82/24/25/528822425.db2.gz GQHHBHBRVMRMHY-UHFFFAOYSA-N 0 0 380.517 4.703 40 0 GJABRN CCOC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 ZINC000408751154 528853166 /nfs/dbraw/zinc/85/31/66/528853166.db2.gz XCCSAJLWPABUTK-UHFFFAOYSA-N 0 0 386.498 4.512 40 0 GJABRN CCc1cccc(C)c1NC(=O)CSc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000409089676 529157614 /nfs/dbraw/zinc/15/76/14/529157614.db2.gz OQQWXQIKQRTUIJ-UHFFFAOYSA-N 0 0 394.544 4.794 40 0 GJABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000408678991 529244935 /nfs/dbraw/zinc/24/49/35/529244935.db2.gz HFUYFPYROAUSIJ-LJQANCHMSA-N 0 0 377.937 4.855 40 0 GJABRN CCc1ccc2cc(CNc3ccc(N4CCC(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000057712729 535828351 /nfs/dbraw/zinc/82/83/51/535828351.db2.gz ZQNBNKIGZJVABY-UHFFFAOYSA-N 0 0 375.516 4.939 40 0 GJABRN COC(=O)c1c(CC(C)C)c(C2=NCCS2)c(C(F)(F)F)nc1C(F)F ZINC000002570864 560124312 /nfs/dbraw/zinc/12/43/12/560124312.db2.gz YIJZJEYQBAAWRJ-UHFFFAOYSA-N 0 0 396.381 4.517 40 0 biogenic,in-man GJABRN Cc1cc(C)c(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)c(C)c1 ZINC000328980384 570210384 /nfs/dbraw/zinc/21/03/84/570210384.db2.gz GMBVYVIMPBFPJR-NRFANRHFSA-N 0 0 390.531 4.663 40 0 GJABRN COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1 ZINC000000598965 570210737 /nfs/dbraw/zinc/21/07/37/570210737.db2.gz RRRUXBQSQLKHEL-UHFFFAOYSA-N 0 0 381.259 4.971 40 0 in-man GJABRN Fc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1Cl ZINC000329007204 570211859 /nfs/dbraw/zinc/21/18/59/570211859.db2.gz LIURHTRYSXMXNW-UHFFFAOYSA-N 0 0 397.885 4.663 40 0 GJABRN COc1cccc(Nc2cc(Cl)nc(-c3cccc(C(F)(F)F)c3)n2)c1 ZINC000329010912 570212193 /nfs/dbraw/zinc/21/21/93/570212193.db2.gz MDKPKXMDPUOLPV-UHFFFAOYSA-N 0 0 379.769 4.990 40 0 GJABRN Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329019855 570213088 /nfs/dbraw/zinc/21/30/88/570213088.db2.gz NYRGHUGMHQKCDI-FQEVSTJZSA-N 0 0 396.922 4.700 40 0 GJABRN CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccncc2)n1 ZINC000329039112 570214075 /nfs/dbraw/zinc/21/40/75/570214075.db2.gz RVKBDEQUAKZEOQ-GFCCVEGCSA-N 0 0 388.302 4.643 40 0 GJABRN O=C(NCc1ccccc1)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 ZINC000096154771 570216176 /nfs/dbraw/zinc/21/61/76/570216176.db2.gz XCGVZCTYCWEGMO-UHFFFAOYSA-N 0 0 392.462 4.722 40 0 GJABRN FC(F)(F)c1cccc(-c2nc(Cl)cc(NCCc3ccccc3)n2)c1 ZINC000329068304 570216342 /nfs/dbraw/zinc/21/63/42/570216342.db2.gz YORYYXSAMLXXIA-UHFFFAOYSA-N 0 0 377.797 4.892 40 0 GJABRN CCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000205608319 570225621 /nfs/dbraw/zinc/22/56/21/570225621.db2.gz XTDNMNXKHGTTEL-HKWRFOASSA-N 0 0 376.481 4.720 40 0 GJABRN CC(C)[C@H](C)NC(=O)c1cnc(-c2noc3cc(-c4ccncc4)ccc32)s1 ZINC000096266565 570227274 /nfs/dbraw/zinc/22/72/74/570227274.db2.gz GLNKXSAPFXESAS-ZDUSSCGKSA-N 0 0 392.484 4.788 40 0 GJABRN O=C(CC1CC1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585263046 570230909 /nfs/dbraw/zinc/23/09/09/570230909.db2.gz XBVCGTYYRKAZMO-INIZCTEOSA-N 0 0 394.906 4.556 40 0 GJABRN O=S(=O)(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000001040686 570237242 /nfs/dbraw/zinc/23/72/42/570237242.db2.gz NIUVYLLLHPAENU-UHFFFAOYSA-N 0 0 386.087 4.606 40 0 GJABRN CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C)cc2)c(Br)c1 ZINC000020110384 570240550 /nfs/dbraw/zinc/24/05/50/570240550.db2.gz AATNYQZSFDEFIK-CQSZACIVSA-N 0 0 376.294 4.576 40 0 GJABRN O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020137164 570241776 /nfs/dbraw/zinc/24/17/76/570241776.db2.gz DETUPAYHMZVIQV-UHFFFAOYSA-N 0 0 376.239 4.927 40 0 GJABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000020142031 570243004 /nfs/dbraw/zinc/24/30/04/570243004.db2.gz FHYFZXQUUJPZDX-UHFFFAOYSA-N 0 0 395.455 4.735 40 0 GJABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2OC)c1 ZINC000020142217 570243050 /nfs/dbraw/zinc/24/30/50/570243050.db2.gz RKNPWAQBNAWTRV-OAHLLOKOSA-N 0 0 395.455 4.877 40 0 GJABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3ccc(CO)o3)c2)c1 ZINC000020144119 570243394 /nfs/dbraw/zinc/24/33/94/570243394.db2.gz GRGUCFCAYHPRDH-UHFFFAOYSA-N 0 0 379.456 4.888 40 0 GJABRN O=C1Nc2nc(cs2)[C@@H]2CCCN2Cc2ccccc2OCc2cccc1c2 ZINC000585281450 570249347 /nfs/dbraw/zinc/24/93/47/570249347.db2.gz ZZSPSTCOHPERLJ-IBGZPJMESA-N 0 0 391.496 4.625 40 0 GJABRN Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccc(Br)c1 ZINC000020294487 570251687 /nfs/dbraw/zinc/25/16/87/570251687.db2.gz JHDMYVYSQJGBBX-UHFFFAOYSA-N 0 0 384.277 4.563 40 0 GJABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc32)cc1 ZINC000020453443 570257727 /nfs/dbraw/zinc/25/77/27/570257727.db2.gz FOHNORCUMQVHMY-FQEVSTJZSA-N 0 0 377.440 4.813 40 0 GJABRN CCOc1ccccc1CNC(=O)CSCc1c(Cl)cccc1Cl ZINC000020460074 570260305 /nfs/dbraw/zinc/26/03/05/570260305.db2.gz WXLQWWJIBFDNIW-UHFFFAOYSA-N 0 0 384.328 4.942 40 0 GJABRN CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccccc2Cl)ccc1Cl ZINC000020460362 570260279 /nfs/dbraw/zinc/26/02/79/570260279.db2.gz WXBJYICQFWGWBC-MRXNPFEDSA-N 0 0 396.270 4.966 40 0 GJABRN CCc1ccc(OCC(=O)N[C@H](CC)c2ccccc2)c(Br)c1 ZINC000020460568 570260647 /nfs/dbraw/zinc/26/06/47/570260647.db2.gz AMQDAAOPOCYWIA-QGZVFWFLSA-N 0 0 376.294 4.658 40 0 GJABRN COc1c(Cl)ccc(Cl)c1C(=O)NC(=S)Nc1ccc(Cl)cc1 ZINC000001443793 570263490 /nfs/dbraw/zinc/26/34/90/570263490.db2.gz JPIFLSNFONGSRB-UHFFFAOYSA-N 0 0 389.691 4.782 40 0 GJABRN Cc1ccc(NC(=O)OCCSCCOC(=O)Nc2ccc(C)cc2)cc1 ZINC000001640274 570266516 /nfs/dbraw/zinc/26/65/16/570266516.db2.gz MDGQRPGGCDQUQA-UHFFFAOYSA-N 0 0 388.489 4.834 40 0 GJABRN Cc1ccc(Cc2c(C)nc(Nc3nc(C)c4cc(C)c(C)cc4n3)[nH]c2=O)cc1 ZINC000020673284 570274833 /nfs/dbraw/zinc/27/48/33/570274833.db2.gz SUPKGBBOOGJGIF-UHFFFAOYSA-N 0 0 399.498 4.590 40 0 GJABRN COc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)CC(C)(C)C3)cc1 ZINC000020797064 570280683 /nfs/dbraw/zinc/28/06/83/570280683.db2.gz XGUBIJPMYXEOED-UHFFFAOYSA-N 0 0 391.471 4.788 40 0 GJABRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl ZINC000020612074 570280851 /nfs/dbraw/zinc/28/08/51/570280851.db2.gz IOTWWPPCEDFISJ-UHFFFAOYSA-N 0 0 391.298 4.793 40 0 GJABRN CCCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000020969483 570288744 /nfs/dbraw/zinc/28/87/44/570288744.db2.gz AVHUJUFZXPEHRZ-UHFFFAOYSA-N 0 0 385.939 4.791 40 0 GJABRN Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c(C)c1 ZINC000216031752 570295036 /nfs/dbraw/zinc/29/50/36/570295036.db2.gz ZNRMUONZPDXBKD-UHFFFAOYSA-N 0 0 397.500 4.613 40 0 GJABRN CCn1ccnc1[C@@H]1OCCC[C@H]1c1nc(-c2cc3cc(Cl)ccc3[nH]2)no1 ZINC000664899526 570299311 /nfs/dbraw/zinc/29/93/11/570299311.db2.gz XKTDJBJPYQSWFH-RHSMWYFYSA-N 0 0 397.866 4.723 40 0 GJABRN O=c1[nH]c2ccccc2nc1C=CNC(=S)Nc1cc(Cl)ccc1Cl ZINC000104303815 570301236 /nfs/dbraw/zinc/30/12/36/570301236.db2.gz CIQQRHBDZZGNCP-FPLPWBNLSA-N 0 0 391.283 4.600 40 0 GJABRN CCCCCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000104303527 570301291 /nfs/dbraw/zinc/30/12/91/570301291.db2.gz DJDQVIVKUNIWPQ-UFSBNGCYSA-N 0 0 376.500 4.710 40 0 GJABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-n2ccnc2C)cc1 ZINC000216428433 570301692 /nfs/dbraw/zinc/30/16/92/570301692.db2.gz WMTIGCFJCCTHTA-QHCPKHFHSA-N 0 0 399.494 4.808 40 0 GJABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000021545446 570305276 /nfs/dbraw/zinc/30/52/76/570305276.db2.gz IEHVYHNWAQFHAY-UHFFFAOYSA-N 0 0 389.864 4.520 40 0 GJABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2Nc2ccccc2)cc1 ZINC000072214148 570314600 /nfs/dbraw/zinc/31/46/00/570314600.db2.gz ISURTZGROUWSRT-NRFANRHFSA-N 0 0 393.512 4.659 40 0 GJABRN CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCCN2C=O)cn1 ZINC000072215834 570316878 /nfs/dbraw/zinc/31/68/78/570316878.db2.gz NESNEZPOGBWMEV-IBGZPJMESA-N 0 0 381.476 4.838 40 0 GJABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(C)cc1 ZINC000022522123 570319762 /nfs/dbraw/zinc/31/97/62/570319762.db2.gz KNFUSZQIDNXFDO-SFHVURJKSA-N 0 0 377.937 4.855 40 0 GJABRN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000022529585 570320824 /nfs/dbraw/zinc/32/08/24/570320824.db2.gz SGAKDLLLDOXTLQ-ZDUSSCGKSA-N 0 0 384.328 4.810 40 0 GJABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000022530262 570320842 /nfs/dbraw/zinc/32/08/42/570320842.db2.gz RAYBJMHOOFZCFA-OXJNMPFZSA-N 0 0 393.483 4.892 40 0 GJABRN COc1ccc(S[C@H](C)C(=O)NCCSCc2cccc(C)c2)cc1 ZINC000022535197 570321128 /nfs/dbraw/zinc/32/11/28/570321128.db2.gz SCASFHDEANLELE-MRXNPFEDSA-N 0 0 375.559 4.534 40 0 GJABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(OC(C)C)c1 ZINC000113970979 570338992 /nfs/dbraw/zinc/33/89/92/570338992.db2.gz QHCQKCMZWHMQNX-FQEVSTJZSA-N 0 0 375.896 4.909 40 0 GJABRN Cc1ccc(C)c([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)c1 ZINC000218839533 570342156 /nfs/dbraw/zinc/34/21/56/570342156.db2.gz DOYWMJZMHUAVBT-INIZCTEOSA-N 0 0 390.321 4.939 40 0 GJABRN COc1ccc(CN(C)C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OC ZINC000115547221 570342261 /nfs/dbraw/zinc/34/22/61/570342261.db2.gz KVSPIVQJSTXAKG-QGZVFWFLSA-N 0 0 385.504 4.562 40 0 GJABRN COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000408577184 570342974 /nfs/dbraw/zinc/34/29/74/570342974.db2.gz RSTBMHWBIBZJMX-UHFFFAOYSA-N 0 0 387.888 4.986 40 0 GJABRN Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000218978894 570345013 /nfs/dbraw/zinc/34/50/13/570345013.db2.gz ZZTPNAQXQSTZIB-IBGZPJMESA-N 0 0 375.468 4.771 40 0 GJABRN Cc1ccc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)c1 ZINC000006056874 570346162 /nfs/dbraw/zinc/34/61/62/570346162.db2.gz BQELMAHHRNTPEL-CYBMUJFWSA-N 0 0 396.270 4.559 40 0 GJABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 ZINC000219032383 570346217 /nfs/dbraw/zinc/34/62/17/570346217.db2.gz SRHDLROAWUWQOE-KKSFZXQISA-N 0 0 393.483 4.892 40 0 GJABRN CCOc1cc(C)c(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1C(C)C ZINC000003652596 570349523 /nfs/dbraw/zinc/34/95/23/570349523.db2.gz LMZODZJLBRLMEM-NDENLUEZSA-N 0 0 396.462 4.749 40 0 GJABRN COC1(OC)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](OC(C)=O)CC[C@H]4[C@H]3CC[C@H]2C1 ZINC000003849688 570352230 /nfs/dbraw/zinc/35/22/30/570352230.db2.gz WEMQGMZMEXLVDS-NWDASVTGSA-N 0 0 378.553 4.950 40 0 GJABRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000219318067 570354418 /nfs/dbraw/zinc/35/44/18/570354418.db2.gz OAJXXFAJQUOHCG-PMACEKPBSA-N 0 0 383.488 4.580 40 0 GJABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000219335421 570355571 /nfs/dbraw/zinc/35/55/71/570355571.db2.gz BFWBPNRBVREWGT-KRWDZBQOSA-N 0 0 399.516 4.621 40 0 GJABRN CCCN1C(=O)S/C(=C\c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)C1=O ZINC000006323879 570356057 /nfs/dbraw/zinc/35/60/57/570356057.db2.gz TXCFAEOUYSSIBI-YVLHZVERSA-N 0 0 386.429 4.918 40 0 GJABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000219370291 570357138 /nfs/dbraw/zinc/35/71/38/570357138.db2.gz ZHEWSCCXFTZFKP-RBUKOAKNSA-N 0 0 385.504 4.746 40 0 GJABRN C[C@H](Oc1ccccc1)C(=O)NCCSCc1c(Cl)cccc1Cl ZINC000219482253 570364159 /nfs/dbraw/zinc/36/41/59/570364159.db2.gz KFPAMYSTSTXTPU-ZDUSSCGKSA-N 0 0 384.328 4.810 40 0 GJABRN CCN(Cc1ccccc1)[C@H](c1nnnn1C(C)(C)CC)c1ccc(C)cc1 ZINC000057613808 570365598 /nfs/dbraw/zinc/36/55/98/570365598.db2.gz PUUZKSNYSNKYBU-NRFANRHFSA-N 0 0 377.536 4.738 40 0 GJABRN COc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1NC(=O)C(C)C ZINC000408619930 570368551 /nfs/dbraw/zinc/36/85/51/570368551.db2.gz DKYPIFKNOCLFDO-UHFFFAOYSA-N 0 0 384.476 4.577 40 0 GJABRN O=C(Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1cccnc1Cl ZINC000408621271 570370394 /nfs/dbraw/zinc/37/03/94/570370394.db2.gz LDIIUZVLUYWCTK-UHFFFAOYSA-N 0 0 399.841 4.874 40 0 GJABRN CCOC(=O)c1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1C ZINC000219606396 570370977 /nfs/dbraw/zinc/37/09/77/570370977.db2.gz IGBAQUMUAMFTAU-GOSISDBHSA-N 0 0 375.852 4.621 40 0 GJABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000219614115 570371331 /nfs/dbraw/zinc/37/13/31/570371331.db2.gz ZNLGPVPIJYAXRQ-ZWKOTPCHSA-N 0 0 391.895 4.782 40 0 GJABRN CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 ZINC000408626474 570378696 /nfs/dbraw/zinc/37/86/96/570378696.db2.gz HMTATAKQMOFNGG-UHFFFAOYSA-N 0 0 395.484 4.544 40 0 GJABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc2c(cccc2Cl)s1 ZINC000408626368 570378700 /nfs/dbraw/zinc/37/87/00/570378700.db2.gz GUQZVAMPAZTHHQ-UHFFFAOYSA-N 0 0 396.324 4.659 40 0 GJABRN COc1ccc(C(=O)CN(c2cccc(C)c2C)C2=NCCCC2)cc1OC ZINC000008415081 570378845 /nfs/dbraw/zinc/37/88/45/570378845.db2.gz PAAHRDMZQNKZDN-UHFFFAOYSA-N 0 0 380.488 4.592 40 0 GJABRN COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)c(Cl)c1Cl ZINC000408629984 570383138 /nfs/dbraw/zinc/38/31/38/570383138.db2.gz LTAODHBQLPGNHR-UHFFFAOYSA-N 0 0 390.288 4.590 40 0 GJABRN CCN1C(=O)S[C@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)C1=O ZINC000006952940 570398941 /nfs/dbraw/zinc/39/89/41/570398941.db2.gz QGCXODFBRJNNEZ-QGZVFWFLSA-N 0 0 375.877 4.545 40 0 GJABRN Cc1ccc(S[C@H]2CSc3nc(C)cc(=O)n3[C@@H]2c2ccccc2)cc1 ZINC000016779215 570403523 /nfs/dbraw/zinc/40/35/23/570403523.db2.gz YRISKBSJAJBYEM-AZUAARDMSA-N 0 0 380.538 4.716 40 0 GJABRN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000222638506 570417859 /nfs/dbraw/zinc/41/78/59/570417859.db2.gz ABNUKIWWLRMVME-UHFFFAOYSA-N 0 0 385.769 4.701 40 0 GJABRN C[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222657967 570419268 /nfs/dbraw/zinc/41/92/68/570419268.db2.gz VEMSNNHHALUGJW-IPEVAPCJSA-N 0 0 385.463 4.876 40 0 GJABRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)cn3)N21 ZINC000222675500 570420256 /nfs/dbraw/zinc/42/02/56/570420256.db2.gz XNWDHBFYXRAQGP-ZLGUVYLKSA-N 0 0 389.528 4.555 40 0 GJABRN C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000222700706 570421317 /nfs/dbraw/zinc/42/13/17/570421317.db2.gz KCJLCZXIPWUUTK-SFHVURJKSA-N 0 0 387.479 4.734 40 0 GJABRN COc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1Cl ZINC000222723378 570422452 /nfs/dbraw/zinc/42/24/52/570422452.db2.gz PTIUJAXKACRZHR-UHFFFAOYSA-N 0 0 398.355 4.984 40 0 GJABRN 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O=C(c1ccc(F)cc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 ZINC000072348676 222235658 /nfs/dbraw/zinc/23/56/58/222235658.db2.gz UJCDJZAGXLWRRE-UHFFFAOYSA-N 0 0 392.449 4.970 40 0 GJABRN COc1ccc(-c2cccc([C@H]3CCCN(C(=O)c4scnc4C)C3)n2)cc1 ZINC000072349834 222236243 /nfs/dbraw/zinc/23/62/43/222236243.db2.gz OWWKVVGHFCDKPW-KRWDZBQOSA-N 0 0 393.512 4.542 40 0 GJABRN Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072356083 222239013 /nfs/dbraw/zinc/23/90/13/222239013.db2.gz NVFGPWJYEJHVQZ-QHCPKHFHSA-N 0 0 385.511 4.704 40 0 GJABRN CCOc1cc(CO)cc(Br)c1OCc1ccc(F)cc1Cl ZINC000095095025 222329968 /nfs/dbraw/zinc/32/99/68/222329968.db2.gz FKHXPUQMYHDURT-UHFFFAOYSA-N 0 0 389.648 4.712 40 0 GJABRN COc1ccc(Br)c(CO)c1OCc1ccc(Cl)c(Cl)c1 ZINC000095095097 222330258 /nfs/dbraw/zinc/33/02/58/222330258.db2.gz ZAKXIYNNAHUFJG-UHFFFAOYSA-N 0 0 392.076 4.836 40 0 GJABRN O=C(NC1CCCCCC1)c1ccn(-c2ccc3ccc(-c4ccncc4)cn32)n1 ZINC000096038101 222375796 /nfs/dbraw/zinc/37/57/96/222375796.db2.gz KJWCMKRNBHWKCR-UHFFFAOYSA-N 0 0 399.498 4.640 40 0 GJABRN O=C(NC1CCCCC1)c1cnc(-c2noc3cc(N4CCCC4)ccc32)s1 ZINC000096154559 222391512 /nfs/dbraw/zinc/39/15/12/222391512.db2.gz JMQPSLNFRRXITE-UHFFFAOYSA-N 0 0 396.516 4.614 40 0 GJABRN O=C1NC(c2ccccc2)=C(C(=S)Nc2ccccc2)[C@@H](c2ccccc2)N1 ZINC000100857967 222464173 /nfs/dbraw/zinc/46/41/73/222464173.db2.gz MYVYDBHJDCTCJK-HXUWFJFHSA-N 0 0 385.492 4.891 40 0 GJABRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc21 ZINC000408628032 533719518 /nfs/dbraw/zinc/71/95/18/533719518.db2.gz PRBDNBHXWFHQNS-UHFFFAOYSA-N 0 0 381.482 4.786 40 0 GJABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2cc(Cl)ccc2O)S1 ZINC000408803548 533785536 /nfs/dbraw/zinc/78/55/36/533785536.db2.gz QIQIJXPAXLTAMI-UHFFFAOYSA-N 0 0 380.276 4.770 40 0 GJABRN COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000408622016 533838608 /nfs/dbraw/zinc/83/86/08/533838608.db2.gz PFQAFCPIQVSWGG-UHFFFAOYSA-N 0 0 394.858 4.782 40 0 GJABRN COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409378008 533916109 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O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408667148 534567241 /nfs/dbraw/zinc/56/72/41/534567241.db2.gz QIBBILNHFPGTTC-GOSISDBHSA-N 0 0 391.854 4.966 40 0 GJABRN Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)c1C ZINC000408699211 534568754 /nfs/dbraw/zinc/56/87/54/534568754.db2.gz VMVXKHFWVXHQPV-UHFFFAOYSA-N 0 0 386.430 4.943 40 0 GJABRN O=C(Oc1cccc2ccccc21)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000013896847 534568860 /nfs/dbraw/zinc/56/88/60/534568860.db2.gz CDDZVCVTJUWASF-NHCUHLMSSA-N 0 0 399.446 4.739 40 0 GJABRN O=C(NC(=S)NCc1ccco1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408629137 534781180 /nfs/dbraw/zinc/78/11/80/534781180.db2.gz ZYBINPLMGYBZMS-UHFFFAOYSA-N 0 0 395.267 4.651 40 0 GJABRN Cc1ccccc1-n1cccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409242882 534793087 /nfs/dbraw/zinc/79/30/87/534793087.db2.gz PMAVUYBXKQCPHN-QGOAFFKASA-N 0 0 377.831 4.536 40 0 GJABRN O=C1S/C(=C/c2ccc(Br)o2)C(=O)N1CCCc1ccccc1 ZINC000409131254 534822422 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CCCN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=S ZINC000409086955 528162155 /nfs/dbraw/zinc/16/21/55/528162155.db2.gz XOHRBSYCKZGGJO-ZROIWOOFSA-N 0 0 381.284 4.721 40 0 GJABRN CCCN1C(=O)S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C1=O ZINC000409238018 528175669 /nfs/dbraw/zinc/17/56/69/528175669.db2.gz YPNICIIRAXITSM-RVDMUPIBSA-N 0 0 380.391 4.942 40 0 GJABRN CCOc1cc(/C=C/C(=O)Nc2ccc(Br)cc2F)ccc1OC ZINC000301218965 528192962 /nfs/dbraw/zinc/19/29/62/528192962.db2.gz WAACYBXXDTZBIU-WEVVVXLNSA-N 0 0 394.240 4.647 40 0 GJABRN CCOc1cc(C(=O)NCc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000408551489 528228555 /nfs/dbraw/zinc/22/85/55/528228555.db2.gz DBHWOCRYWOQLQW-UHFFFAOYSA-N 0 0 375.468 4.903 40 0 GJABRN CCOc1cc(CNc2ccccc2)cc(I)c1OCC ZINC000409120027 528286827 /nfs/dbraw/zinc/28/68/27/528286827.db2.gz SKGQAEGQIYGWGD-UHFFFAOYSA-N 0 0 397.256 4.701 40 0 GJABRN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000408709900 528489771 /nfs/dbraw/zinc/48/97/71/528489771.db2.gz ZEIYDAPLVGBKNQ-UHFFFAOYSA-N 0 0 384.442 4.755 40 0 GJABRN CCCCNC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C ZINC000014796069 528552542 /nfs/dbraw/zinc/55/25/42/528552542.db2.gz GQYVUCNLILEWJR-UHFFFAOYSA-N 0 0 382.504 4.532 40 0 GJABRN CCCCOC(=O)c1cc(NC(=O)CSc2ccccc2N)ccc1Cl ZINC000408599793 528564770 /nfs/dbraw/zinc/56/47/70/528564770.db2.gz KVMXQZOGQKSKAX-UHFFFAOYSA-N 0 0 392.908 4.610 40 0 GJABRN CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(CC)cc1 ZINC000409099996 528820345 /nfs/dbraw/zinc/82/03/45/528820345.db2.gz OYNLLQHYOKVEGK-UHFFFAOYSA-N 0 0 394.544 4.572 40 0 GJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000216321034 529179933 /nfs/dbraw/zinc/17/99/33/529179933.db2.gz XIJZKWGXBBCVFP-DLBZAZTESA-N 0 0 382.504 4.744 40 0 GJABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1cc(C)cc(C)c1 ZINC000409141129 529180182 /nfs/dbraw/zinc/18/01/82/529180182.db2.gz GZPKIMBMXKAUPY-KRWDZBQOSA-N 0 0 384.545 4.704 40 0 GJABRN CC[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(Cl)c(C)c1)N2 ZINC000409183017 529266713 /nfs/dbraw/zinc/26/67/13/529266713.db2.gz RJMZRRHAKNHWPS-BTJLNZGRSA-N 0 0 388.817 4.537 40 0 GJABRN CCC(CC)C(=O)N[C@H]1C[C@@H](Cc2cc(CN(C)c3ccccc3)on2)C1(C)C ZINC000067890127 560050109 /nfs/dbraw/zinc/05/01/09/560050109.db2.gz AMDIVERJMZDZAJ-GCJKJVERSA-N 0 0 397.563 4.821 40 0 biogenic,in-vitro GJABRN CC(C)(c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1 ZINC000004654861 560199331 /nfs/dbraw/zinc/19/93/31/560199331.db2.gz CKNCVRMXCLUOJI-UHFFFAOYSA-N 0 0 386.083 4.949 40 0 in-vitro GJABRN CN1c2ccccc2C(c2ccccc2F)=N[C@H](Cc2c[nH]c3ccccc23)C1=O ZINC000004654954 560199417 /nfs/dbraw/zinc/19/94/17/560199417.db2.gz CGBANSGENFERAT-JOCHJYFZSA-N 0 0 397.453 4.732 40 0 in-vitro GJABRN CSc1ccccc1Nc1cc(-c2ccccn2)nc(NC2CCCCC2)n1 ZINC000329009717 570211762 /nfs/dbraw/zinc/21/17/62/570211762.db2.gz LXPXIHHEGVLGGL-UHFFFAOYSA-N 0 0 391.544 4.593 40 0 GJABRN Fc1ccc(CNc2cc(Cl)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000329039192 570214147 /nfs/dbraw/zinc/21/41/47/570214147.db2.gz RXEAWKWBXCFFNL-UHFFFAOYSA-N 0 0 381.760 4.989 40 0 GJABRN CC[C@@H](C)Nc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329068579 570216326 /nfs/dbraw/zinc/21/63/26/570216326.db2.gz YQPVTWVWXGQUFN-CQSZACIVSA-N 0 0 386.421 4.960 40 0 GJABRN CSc1ccccc1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000329068347 570216407 /nfs/dbraw/zinc/21/64/07/570216407.db2.gz YPWIFDXXOFCQRI-UHFFFAOYSA-N 0 0 391.544 4.593 40 0 GJABRN O=C(Nc1ccc(F)cc1)N1CCC2(CCn3c(-c4ccccc4)cnc32)CC1 ZINC000096243528 570223289 /nfs/dbraw/zinc/22/32/89/570223289.db2.gz PBZSTXMWMIZFLJ-UHFFFAOYSA-N 0 0 390.462 4.659 40 0 GJABRN Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000205619020 570226536 /nfs/dbraw/zinc/22/65/36/570226536.db2.gz QXRLWSJIIASYAI-ZHZULCJRSA-N 0 0 376.481 4.775 40 0 GJABRN FC(F)(F)c1nc2nc(-c3ccc(Cl)cc3)cc(-c3ccncc3)n2n1 ZINC000019960958 570233901 /nfs/dbraw/zinc/23/39/01/570233901.db2.gz IIFOLYYQOOAFHD-UHFFFAOYSA-N 0 0 375.741 4.526 40 0 GJABRN COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000020030040 570235734 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Cc1cccc(Nc2cc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)ccn2)n1 ZINC000585291524 570260426 /nfs/dbraw/zinc/26/04/26/570260426.db2.gz DCKAXQBCDBQKJJ-CHHLAKQQSA-N 0 0 398.510 4.948 40 0 GJABRN O=C(/C=C/c1ccccc1)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 ZINC000585292355 570261509 /nfs/dbraw/zinc/26/15/09/570261509.db2.gz LBQPBJOVOYGLQG-JLVIMGNISA-N 0 0 398.510 4.715 40 0 GJABRN COc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1OC ZINC000020486886 570262411 /nfs/dbraw/zinc/26/24/11/570262411.db2.gz NXQVBMVPFMQZKC-QGZVFWFLSA-N 0 0 391.467 4.774 40 0 GJABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000020490846 570263028 /nfs/dbraw/zinc/26/30/28/570263028.db2.gz AALUBVBMICFVKF-LJQANCHMSA-N 0 0 382.504 4.628 40 0 GJABRN Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(C)nc3)cs2)cc1 ZINC000585294411 570263412 /nfs/dbraw/zinc/26/34/12/570263412.db2.gz FAEVNBVYLYBFHE-FQEVSTJZSA-N 0 0 392.528 4.744 40 0 GJABRN COc1cc(C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/[C@@H](O)[C@H]2C(C)C)ccc1O ZINC000005638790 570271913 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Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1 ZINC000222911890 570431107 /nfs/dbraw/zinc/43/11/07/570431107.db2.gz DOGSUWZBPHFQCG-VXKWHMMOSA-N 0 0 390.556 4.809 40 0 GJABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccccc1OC ZINC000222929760 570431723 /nfs/dbraw/zinc/43/17/23/570431723.db2.gz AZCBPCRJJJXWHB-NRFANRHFSA-N 0 0 383.532 4.899 40 0 GJABRN CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000007929479 570433454 /nfs/dbraw/zinc/43/34/54/570433454.db2.gz HDNWKBPVBQYLTP-CYBMUJFWSA-N 0 0 378.255 4.514 40 0 GJABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 ZINC000222971488 570434093 /nfs/dbraw/zinc/43/40/93/570434093.db2.gz UTPKTRRMHJKICW-WOJBJXKFSA-N 0 0 397.515 4.888 40 0 GJABRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000222974384 570434260 /nfs/dbraw/zinc/43/42/60/570434260.db2.gz OAWDGOBUENNMHS-NHCUHLMSSA-N 0 0 376.529 4.645 40 0 GJABRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000222975540 570434346 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/nfs/dbraw/zinc/19/25/32/136192532.db2.gz KKDMNNHBMOCWKZ-UHFFFAOYSA-N 0 0 388.309 4.520 40 0 GJABRN Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1CCCCC1 ZINC000226330266 136192633 /nfs/dbraw/zinc/19/26/33/136192633.db2.gz DSPHDNFUYVIGRY-UHFFFAOYSA-N 0 0 388.309 4.582 40 0 GJABRN CCc1ccccc1NC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001351048 136193203 /nfs/dbraw/zinc/19/32/03/136193203.db2.gz MOKNRWNWSSCBAL-UHFFFAOYSA-N 0 0 393.478 4.787 40 0 GJABRN Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(C4CCCCC4)cc3)CC2)n1 ZINC000004966072 136194354 /nfs/dbraw/zinc/19/43/54/136194354.db2.gz AXGDDWWKMIBMEI-UHFFFAOYSA-N 0 0 392.547 4.996 40 0 GJABRN COc1ccccc1CNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000030754602 221703161 /nfs/dbraw/zinc/70/31/61/221703161.db2.gz HXKXSBAIXZUOQF-UHFFFAOYSA-N 0 0 393.508 4.796 40 0 GJABRN Brc1cc(Br)c2c(c1)CN(Cc1ccccc1)CO2 ZINC000031659449 221710835 /nfs/dbraw/zinc/71/08/35/221710835.db2.gz KMGRELRSRWDMOS-UHFFFAOYSA-N 0 0 383.083 4.564 40 0 GJABRN O=c1[nH]c(-c2cccc(OC(F)(F)C(F)F)c2)nc2sc3c(c21)CCCC3 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40 0 GJABRN Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)n1 ZINC000072353908 222237864 /nfs/dbraw/zinc/23/78/64/222237864.db2.gz CWKZXONZSPDLRQ-HSZRJFAPSA-N 0 0 399.538 4.633 40 0 GJABRN O=C(c1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357609 222238928 /nfs/dbraw/zinc/23/89/28/222238928.db2.gz DTTBMFXLSWTVQB-QFIPXVFZSA-N 0 0 378.422 4.928 40 0 GJABRN Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072356062 222238971 /nfs/dbraw/zinc/23/89/71/222238971.db2.gz CBNHWKLQINWQKV-NRFANRHFSA-N 0 0 389.474 4.535 40 0 GJABRN O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357986 222240100 /nfs/dbraw/zinc/24/01/00/222240100.db2.gz VIHUXIVUSJBNQD-QHCPKHFHSA-N 0 0 392.449 4.857 40 0 GJABRN Cc1cnc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cn1 ZINC000072370030 222241331 /nfs/dbraw/zinc/24/13/31/222241331.db2.gz SPJRNCAQJGAIFI-JOCHJYFZSA-N 0 0 390.462 4.662 40 0 GJABRN c1csc([N-]c2nccc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072377992 222245519 /nfs/dbraw/zinc/24/55/19/222245519.db2.gz WSLSDQOKRVXBIT-LJQANCHMSA-N 0 0 388.500 4.562 40 0 GJABRN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cncc(Oc3ccc(Cl)cc3)n2)o1 ZINC000072384122 222246255 /nfs/dbraw/zinc/24/62/55/222246255.db2.gz LIHIPVJBKKQAHQ-KRWDZBQOSA-N 0 0 398.850 4.504 40 0 GJABRN COc1cc2[nH]c(C(=O)N(Cc3ccncc3)C3CCCCC3)cc2c(OC)c1 ZINC000072390309 222247525 /nfs/dbraw/zinc/24/75/25/222247525.db2.gz INCANHQMGCSGGK-UHFFFAOYSA-N 0 0 393.487 4.555 40 0 GJABRN O=C(Nc1cccc(F)c1)c1ccn(-c2ccc3ccc(-c4ccncc4)cn32)n1 ZINC000096038089 222375353 /nfs/dbraw/zinc/37/53/53/222375353.db2.gz DHSBDZQJSAAKFR-UHFFFAOYSA-N 0 0 397.413 4.578 40 0 GJABRN CC(C)c1nc(-c2cc(C(=O)NCCc3cccnc3)c3ccccn23)cs1 ZINC000096154827 222391449 /nfs/dbraw/zinc/39/14/49/222391449.db2.gz BDFDQLCPFPQJLS-UHFFFAOYSA-N 0 0 390.512 4.554 40 0 GJABRN COC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1ccc(C)cc1)CCCC2 ZINC000409171967 533702035 /nfs/dbraw/zinc/70/20/35/533702035.db2.gz FSHVJRGGNODFEJ-ZDUSSCGKSA-N 0 0 389.542 4.841 40 0 GJABRN 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WTCRAMRYYNHFMO-UHFFFAOYSA-N 0 0 398.466 4.812 40 0 GJABRN COc1ccc(NCN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000408719570 534185688 /nfs/dbraw/zinc/18/56/88/534185688.db2.gz WTDQNYWQCVHSRI-XDHOZWIPSA-N 0 0 382.485 4.925 40 0 GJABRN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408677255 534205996 /nfs/dbraw/zinc/20/59/96/534205996.db2.gz AVESAGUQDIUEDM-JTQLQIEISA-N 0 0 384.657 4.517 40 0 GJABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000113936182 534212403 /nfs/dbraw/zinc/21/24/03/534212403.db2.gz SFOBJNPMOSBCQZ-UHFFFAOYSA-N 0 0 394.496 4.665 40 0 GJABRN Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1C ZINC000225341491 518189394 /nfs/dbraw/zinc/18/93/94/518189394.db2.gz RBZLXYAYWKDKKP-MOPGFXCFSA-N 0 0 381.516 4.533 40 0 GJABRN O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408667149 534567250 /nfs/dbraw/zinc/56/72/50/534567250.db2.gz QIBBILNHFPGTTC-SFHVURJKSA-N 0 0 391.854 4.966 40 0 GJABRN Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)c1 ZINC000408693987 534567857 /nfs/dbraw/zinc/56/78/57/534567857.db2.gz GNUPRXPEOVTQSZ-UHFFFAOYSA-N 0 0 390.393 4.773 40 0 GJABRN Cc1cccc(C)c1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O ZINC000408671930 534673476 /nfs/dbraw/zinc/67/34/76/534673476.db2.gz UNBQHAWJLOESEA-OAQYLSRUSA-N 0 0 385.463 4.929 40 0 GJABRN O=C(NC1CCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409409301 534796200 /nfs/dbraw/zinc/79/62/00/534796200.db2.gz HCVIGAVHVSFZEO-JOCHJYFZSA-N 0 0 398.528 4.506 40 0 GJABRN O=C(C(=O)N1CCCCC1)c1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000408566270 534806875 /nfs/dbraw/zinc/80/68/75/534806875.db2.gz FFKVDCRUFPMDOU-UHFFFAOYSA-N 0 0 398.865 4.677 40 0 GJABRN Cc1ccccc1Nc1nc2nonc2nc1Nc1cccc(Br)c1 ZINC000408720446 534826068 /nfs/dbraw/zinc/82/60/68/534826068.db2.gz PEWAIEXNIRPFPH-UHFFFAOYSA-N 0 0 397.236 4.571 40 0 GJABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000409023154 526761163 /nfs/dbraw/zinc/76/11/63/526761163.db2.gz PYGNNTHNNXEFSY-NTCAYCPXSA-N 0 0 376.500 4.872 40 0 GJABRN CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)sc2c1 ZINC000016321415 527029831 /nfs/dbraw/zinc/02/98/31/527029831.db2.gz JOANGLFEIOUEOF-UHFFFAOYSA-N 0 0 397.500 4.570 40 0 GJABRN CC(=O)Nc1ccccc1SCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000408581013 527095717 /nfs/dbraw/zinc/09/57/17/527095717.db2.gz GBDZPBBYNDQCPJ-UHFFFAOYSA-N 0 0 385.514 4.526 40 0 GJABRN CC(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000408624446 527314529 /nfs/dbraw/zinc/31/45/29/527314529.db2.gz UFAPKSDEOSVJTB-UHFFFAOYSA-N 0 0 382.872 4.823 40 0 GJABRN CC(=O)c1ccc(NC(=O)c2cccc(OC(=S)N3CCC(C)CC3)c2)cc1 ZINC000408720890 527315078 /nfs/dbraw/zinc/31/50/78/527315078.db2.gz AHNBQPQWURYKOC-UHFFFAOYSA-N 0 0 396.512 4.537 40 0 GJABRN C/C(=C\c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1)[N+](=O)[O-] ZINC000408530310 527524254 /nfs/dbraw/zinc/52/42/54/527524254.db2.gz DXXZKQHWKNZGQH-CWOSXULZSA-N 0 0 388.217 4.705 40 0 GJABRN CCCC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000408620631 527962760 /nfs/dbraw/zinc/96/27/60/527962760.db2.gz IARUVJXQDHPZIH-UHFFFAOYSA-N 0 0 381.259 4.993 40 0 GJABRN CC(C)CNC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1 ZINC000409143881 528063029 /nfs/dbraw/zinc/06/30/29/528063029.db2.gz OEZYHDPVPFQXPE-UHFFFAOYSA-N 0 0 390.936 4.847 40 0 GJABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3F)C2=O)cc1 ZINC000409333269 528110826 /nfs/dbraw/zinc/11/08/26/528110826.db2.gz ROZSUHFXXKUGCJ-WOJGMQOQSA-N 0 0 398.459 4.624 40 0 GJABRN CCCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OC)C1=O ZINC000409209177 528183452 /nfs/dbraw/zinc/18/34/52/528183452.db2.gz GPVSTWVKLACYNL-UVTDQMKNSA-N 0 0 384.295 4.684 40 0 GJABRN CCOC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000408732833 528195721 /nfs/dbraw/zinc/19/57/21/528195721.db2.gz ZUVSZFZTEZAGMO-SXGWCWSVSA-N 0 0 390.222 4.515 40 0 GJABRN CCOc1ccc(-c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)nn2)cc1 ZINC000408527743 528351647 /nfs/dbraw/zinc/35/16/47/528351647.db2.gz HHMFPBLCANRSSO-UHFFFAOYSA-N 0 0 378.472 4.664 40 0 GJABRN CCC(=O)NC(=S)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC ZINC000408628917 528391705 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Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)Cc4ccncc4)C3)c2)c1 ZINC000072356122 222239773 /nfs/dbraw/zinc/23/97/73/222239773.db2.gz YQYKHSIIKXQEQE-DEOSSOPVSA-N 0 0 399.538 4.633 40 0 GJABRN CC(C)(C)OC(=O)N1CCC[C@H](c2csc(Nc3cc(F)ccn3)n2)C1 ZINC000072359896 222240805 /nfs/dbraw/zinc/24/08/05/222240805.db2.gz ODQSOCSFRRIFEG-LBPRGKRZSA-N 0 0 378.473 4.535 40 0 GJABRN CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2ccccc2F)C1 ZINC000072396194 222251168 /nfs/dbraw/zinc/25/11/68/222251168.db2.gz PKOKLHVXTKBKPK-HXUWFJFHSA-N 0 0 377.463 4.514 40 0 GJABRN CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2ccccc2F)C1 ZINC000072396195 222252296 /nfs/dbraw/zinc/25/22/96/222252296.db2.gz PKOKLHVXTKBKPK-FQEVSTJZSA-N 0 0 377.463 4.514 40 0 GJABRN COc1ccc(Br)c(CO)c1OCc1c(Cl)cccc1Cl ZINC000095095094 222330653 /nfs/dbraw/zinc/33/06/53/222330653.db2.gz IEDQDJSYSYFZME-UHFFFAOYSA-N 0 0 392.076 4.836 40 0 GJABRN CC(C)(C)OC(=O)NC1(CNC(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000073633268 222271159 /nfs/dbraw/zinc/27/11/59/222271159.db2.gz QHRCHNAZWGPNPH-UHFFFAOYSA-N 0 0 381.904 4.689 40 0 GJABRN CC(C)(C)OC(=O)N1CCCC[C@H]1CSc1cccc(Br)n1 ZINC000083323385 222312204 /nfs/dbraw/zinc/31/22/04/222312204.db2.gz SISNUJNWHZSMAF-LBPRGKRZSA-N 0 0 387.343 4.726 40 0 GJABRN COc1ccc(Cc2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc1 ZINC000096194261 222396257 /nfs/dbraw/zinc/39/62/57/222396257.db2.gz IQMYWPBTACIGGF-UHFFFAOYSA-N 0 0 376.441 4.507 40 0 GJABRN COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCC2 ZINC000408563813 533701114 /nfs/dbraw/zinc/70/11/14/533701114.db2.gz RCZWDQUAKXQUAP-JTQLQIEISA-N 0 0 395.933 4.796 40 0 GJABRN COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccccc1C ZINC000409378202 533915104 /nfs/dbraw/zinc/91/51/04/533915104.db2.gz NLFZAVGTNWNNTQ-UHFFFAOYSA-N 0 0 376.456 4.633 40 0 GJABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)S1 ZINC000222628240 533995042 /nfs/dbraw/zinc/99/50/42/533995042.db2.gz MIPCOLXPXWDSPF-AGRHKRQWSA-N 0 0 395.919 4.510 40 0 GJABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC(C)C)cc(C)c1Cl ZINC000408703115 534032689 /nfs/dbraw/zinc/03/26/89/534032689.db2.gz NGATTXVWQCEHHA-OAHLLOKOSA-N 0 0 388.895 4.501 40 0 GJABRN COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000408694763 534177043 /nfs/dbraw/zinc/17/70/43/534177043.db2.gz MIDMVQKPMCGKES-UHFFFAOYSA-N 0 0 398.466 4.812 40 0 GJABRN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408696340 534177726 /nfs/dbraw/zinc/17/77/26/534177726.db2.gz ZZUSPXXVGFIFKM-UHFFFAOYSA-N 0 0 398.466 4.812 40 0 GJABRN COc1ccc(NCc2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 ZINC000409268124 534186979 /nfs/dbraw/zinc/18/69/79/534186979.db2.gz QBYZKJKHRXLHIP-UHFFFAOYSA-N 0 0 376.456 4.633 40 0 GJABRN COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(C)cc2)cc1 ZINC000409179477 534204665 /nfs/dbraw/zinc/20/46/65/534204665.db2.gz OXGGTNDIKZJAAK-UHFFFAOYSA-N 0 0 390.435 4.622 40 0 GJABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(F)cc2)cc1 ZINC000408697944 534209497 /nfs/dbraw/zinc/20/94/97/534209497.db2.gz KFJSROWSGGYPAH-UHFFFAOYSA-N 0 0 386.430 4.943 40 0 GJABRN O=C(Nc1cccnc1)c1c2c(sc1NC(=O)c1ccc(F)cc1)CCCC2 ZINC000409110886 534410674 /nfs/dbraw/zinc/41/06/74/534410674.db2.gz AQFMVLGEJQHMKQ-UHFFFAOYSA-N 0 0 395.459 4.666 40 0 GJABRN Cc1cccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C ZINC000409108687 534566928 /nfs/dbraw/zinc/56/69/28/534566928.db2.gz YNTXSQSTBBRQKR-CPNJWEJPSA-N 0 0 391.858 4.845 40 0 GJABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)c1 ZINC000020142244 521775675 /nfs/dbraw/zinc/77/56/75/521775675.db2.gz OCAIJQPNDIRMMX-HNNXBMFYSA-N 0 0 395.455 4.877 40 0 GJABRN Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4cccc(C)c4)OC3=O)cc2)c1 ZINC000408977939 534628804 /nfs/dbraw/zinc/62/88/04/534628804.db2.gz ZTKPMPJCPVUEDZ-PXLXIMEGSA-N 0 0 397.430 4.867 40 0 GJABRN O=C(COc1ccccc1F)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000072230070 534638964 /nfs/dbraw/zinc/63/89/64/534638964.db2.gz JDYQFMDNXCOMES-OAQYLSRUSA-N 0 0 385.822 4.578 40 0 GJABRN O=C(NCc1ccccc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408624071 534677390 /nfs/dbraw/zinc/67/73/90/534677390.db2.gz UDWKWQJDDAVFRM-UHFFFAOYSA-N 0 0 388.854 4.759 40 0 GJABRN O=C1N/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000409251294 534781342 /nfs/dbraw/zinc/78/13/42/534781342.db2.gz USSIXNFVYUWZFC-HKWRFOASSA-N 0 0 386.476 4.931 40 0 GJABRN O=C1NC(=O)C(=Cc2cc(Br)c(Sc3ccccc3)o2)S1 ZINC000409002522 534784646 /nfs/dbraw/zinc/78/46/46/534784646.db2.gz OGJRNAKBRWSHOE-YRNVUSSQSA-N 0 0 382.260 4.517 40 0 GJABRN O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1c1cccc(Cl)c1 ZINC000409380608 534823691 /nfs/dbraw/zinc/82/36/91/534823691.db2.gz OJVAPOYKUKKVFQ-LZYBPNLTSA-N 0 0 383.812 4.687 40 0 GJABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl ZINC000408562570 526325655 /nfs/dbraw/zinc/32/56/55/526325655.db2.gz BQYFZRBMSXRKSA-UHFFFAOYSA-N 0 0 390.936 4.740 40 0 GJABRN CC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000408628001 526688144 /nfs/dbraw/zinc/68/81/44/526688144.db2.gz PGAGBHJBHXYPCV-UHFFFAOYSA-N 0 0 380.256 4.635 40 0 GJABRN CC(C)(C)c1ccc(C(=O)N[C@@H](N2CCCCC2)C(Cl)(Cl)Cl)cc1 ZINC000019315914 526768018 /nfs/dbraw/zinc/76/80/18/526768018.db2.gz JQAJHLAPGHANCW-INIZCTEOSA-N 0 0 391.770 4.896 40 0 GJABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2nsnc2ccc1Cl ZINC000057313132 527373063 /nfs/dbraw/zinc/37/30/63/527373063.db2.gz LADUJFLEXHXCPC-UHFFFAOYSA-N 0 0 382.272 4.794 40 0 GJABRN C/C(=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000408532960 527524439 /nfs/dbraw/zinc/52/44/39/527524439.db2.gz IXFVWBZKPPFTIZ-CSKARUKUSA-N 0 0 396.624 4.959 40 0 GJABRN CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000409026100 527727761 /nfs/dbraw/zinc/72/77/61/527727761.db2.gz GCSYKRAORVRIOK-CSKARUKUSA-N 0 0 377.271 4.784 40 0 GJABRN CC(C)OC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000006151760 527866719 /nfs/dbraw/zinc/86/67/19/527866719.db2.gz SRRHSFCZCIVLQV-UHFFFAOYSA-N 0 0 375.852 4.701 40 0 GJABRN CCCC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 ZINC000408623259 527919651 /nfs/dbraw/zinc/91/96/51/527919651.db2.gz RHQUTRGXRCUICZ-UHFFFAOYSA-N 0 0 395.528 4.909 40 0 GJABRN CC(C)CNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl ZINC000225370560 528063229 /nfs/dbraw/zinc/06/32/29/528063229.db2.gz ZCAQPNWINNJDHF-UHFFFAOYSA-N 0 0 393.314 4.951 40 0 GJABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(Cl)cc1 ZINC000409134240 528063849 /nfs/dbraw/zinc/06/38/49/528063849.db2.gz NIVJYTSNHGNKRU-CQSZACIVSA-N 0 0 390.936 4.845 40 0 GJABRN CCOc1c(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cccc1OC ZINC000409310304 528166378 /nfs/dbraw/zinc/16/63/78/528166378.db2.gz UFGCRUNLWDWZMN-YBEGLDIGSA-N 0 0 389.860 4.988 40 0 GJABRN CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000409181990 528194613 /nfs/dbraw/zinc/19/46/13/528194613.db2.gz HKDFHWKGBHFJFL-UHFFFAOYSA-N 0 0 391.423 4.678 40 0 GJABRN CCOc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)ccc1O ZINC000409060826 528197664 /nfs/dbraw/zinc/19/76/64/528197664.db2.gz YIPNUZWGFCMWHA-YBEGLDIGSA-N 0 0 375.833 4.685 40 0 GJABRN CCOc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 ZINC000409244668 528367798 /nfs/dbraw/zinc/36/77/98/528367798.db2.gz HAINTUAJCPFBBZ-CPNJWEJPSA-N 0 0 392.842 4.989 40 0 GJABRN CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OC)c2ccccc21 ZINC000409379545 528617144 /nfs/dbraw/zinc/61/71/44/528617144.db2.gz XOOJSKVMDDQZIF-IBGZPJMESA-N 0 0 380.469 4.616 40 0 GJABRN CCCOc1ccc(C=CC(=O)OCC(=O)c2ccc(Cl)cc2)cc1OC ZINC000408569036 528640638 /nfs/dbraw/zinc/64/06/38/528640638.db2.gz YGEDMYZFPCTWJA-VZUCSPMQSA-N 0 0 388.847 4.577 40 0 GJABRN CCCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000408622614 528653344 /nfs/dbraw/zinc/65/33/44/528653344.db2.gz PRXNOSIEYXTTAG-UHFFFAOYSA-N 0 0 388.467 4.909 40 0 GJABRN CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OC)cc3)nn2)cc1 ZINC000408527503 528667984 /nfs/dbraw/zinc/66/79/84/528667984.db2.gz FVVIZOYUJCENOR-UHFFFAOYSA-N 0 0 378.428 4.550 40 0 GJABRN CCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1 ZINC000409105409 528822587 /nfs/dbraw/zinc/82/25/87/528822587.db2.gz JBIWZCUJQKDHAP-UHFFFAOYSA-N 0 0 380.517 4.703 40 0 GJABRN CCN1C(=O)S/C(=C/c2ccc(OCC(C)C)c(Br)c2)C1=O ZINC000408601665 528954073 /nfs/dbraw/zinc/95/40/73/528954073.db2.gz LHZJXJYYZTVLPE-RIYZIHGNSA-N 0 0 384.295 4.540 40 0 GJABRN CCc1cccc(C)c1NC(=O)c1cc(Br)c(OC)c(OC)c1 ZINC000408623253 529160045 /nfs/dbraw/zinc/16/00/45/529160045.db2.gz RWNBPUSETCYDMC-UHFFFAOYSA-N 0 0 378.266 4.589 40 0 GJABRN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1 ZINC000007080019 529274430 /nfs/dbraw/zinc/27/44/30/529274430.db2.gz UGGKLUZCQBQZSK-INIZCTEOSA-N 0 0 398.503 4.821 40 0 GJABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)C1=O ZINC000409020230 529349842 /nfs/dbraw/zinc/34/98/42/529349842.db2.gz MWCZRGQFQUOJCY-VBEHJTROSA-N 0 0 399.468 4.876 40 0 GJABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000409131819 529373908 /nfs/dbraw/zinc/37/39/08/529373908.db2.gz ZAHFMTGBHMAIPM-GFXBCDTMSA-N 0 0 388.467 4.987 40 0 GJABRN Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC(C)C)C1 ZINC000020463603 560093393 /nfs/dbraw/zinc/09/33/93/560093393.db2.gz BAJYTORACJMBRQ-UYAOXDASSA-N 0 0 394.563 4.906 40 0 biogenic,in-vitro GJABRN Fc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000328985279 570210774 /nfs/dbraw/zinc/21/07/74/570210774.db2.gz HRVZSRYNBQFLNG-UHFFFAOYSA-N 0 0 397.885 4.663 40 0 GJABRN CC(C)c1cc(N2CCc3ccccc3C2)nc(Nc2cccc(Cl)c2)n1 ZINC000329006813 570211890 /nfs/dbraw/zinc/21/18/90/570211890.db2.gz LGDLVSMQSBIXDM-UHFFFAOYSA-N 0 0 378.907 4.982 40 0 GJABRN CC(C)(O)c1ccc2c(c1)CCN(c1ccnc(Nc3cccc(Cl)c3)n1)C2 ZINC000329022121 570213406 /nfs/dbraw/zinc/21/34/06/570213406.db2.gz OKSQRMRAGZEPCW-UHFFFAOYSA-N 0 0 394.906 4.664 40 0 GJABRN Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329053306 570215337 /nfs/dbraw/zinc/21/53/37/570215337.db2.gz VFOQPPBOLXCOKX-IBGZPJMESA-N 0 0 396.922 4.700 40 0 GJABRN CC[C@H](C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccncc2)n1 ZINC000329069362 570216834 /nfs/dbraw/zinc/21/68/34/570216834.db2.gz YWGLYSGZFWFUPL-LBPRGKRZSA-N 0 0 388.302 4.643 40 0 GJABRN O=C(c1ccc(F)cc1)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 ZINC000000882120 570228026 /nfs/dbraw/zinc/22/80/26/570228026.db2.gz WWHJYCSOXITDGV-GOSISDBHSA-N 0 0 382.460 4.775 40 0 GJABRN Cc1cccc(-c2nc(SCc3nnc(-c4ccccc4Cl)o3)n[nH]2)c1 ZINC000019927599 570229995 /nfs/dbraw/zinc/22/99/95/570229995.db2.gz HVXKCNXUNZHZGB-UHFFFAOYSA-N 0 0 383.864 4.776 40 0 GJABRN Cc1nccn1-c1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000019932148 570231251 /nfs/dbraw/zinc/23/12/51/570231251.db2.gz RRNSKDSFLDHOIH-UHFFFAOYSA-N 0 0 385.920 4.633 40 0 GJABRN COc1ccc([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC ZINC000020043175 570237077 /nfs/dbraw/zinc/23/70/77/570237077.db2.gz FDJXVESYRWROGG-OLZOCXBDSA-N 0 0 379.909 4.715 40 0 GJABRN COc1cc(NC(=O)c2cccc(OCC(C)C)c2)ccc1-c1ccc(CO)o1 ZINC000020142112 570243079 /nfs/dbraw/zinc/24/30/79/570243079.db2.gz YOWWNIURIHQQGK-UHFFFAOYSA-N 0 0 395.455 4.735 40 0 GJABRN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccc(F)cc1 ZINC000005164810 570248785 /nfs/dbraw/zinc/24/87/85/570248785.db2.gz OYPVOPCWDLCKSV-SFLYRZDNSA-N 0 0 397.490 4.733 40 0 GJABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)c(Cl)c1 ZINC000020481663 570261399 /nfs/dbraw/zinc/26/13/99/570261399.db2.gz LIYPJINXGJMVFV-SFHVURJKSA-N 0 0 389.879 4.930 40 0 GJABRN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1cccs1 ZINC000005500908 570262358 /nfs/dbraw/zinc/26/23/58/570262358.db2.gz RPGASFVGBMBKCI-AGHHOFFYSA-N 0 0 385.529 4.655 40 0 GJABRN Cc1ccc(C)c(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000020486944 570262391 /nfs/dbraw/zinc/26/23/91/570262391.db2.gz SHYKGUDZRIATPY-IBGZPJMESA-N 0 0 386.495 4.976 40 0 GJABRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc(Cl)c1Cl ZINC000020609845 570271916 /nfs/dbraw/zinc/27/19/16/570271916.db2.gz ALBGEHWNRFJNNA-UHFFFAOYSA-N 0 0 383.238 4.980 40 0 GJABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610384 570272151 /nfs/dbraw/zinc/27/21/51/570272151.db2.gz TUCJIRIQYNNRON-KGVSQERTSA-N 0 0 392.821 4.865 40 0 GJABRN CCc1c(C)n(CC(=O)c2ccc3ccccc3c2)c2nc3ccccc3n2c1=O 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NEYQIMVBQXLJBG-UHFFFAOYSA-N 0 0 381.435 4.602 40 0 GJABRN COC(C)(C)C(=O)N1CCC[C@@H]1c1cc(Cc2ccccc2Cl)cc(C)n1 ZINC000019691969 571029665 /nfs/dbraw/zinc/02/96/65/571029665.db2.gz WAXWQVCXNXVLBF-HXUWFJFHSA-N 0 0 386.923 4.723 40 0 GJABRN Cn1c(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)nc2cc(Cl)ccc21 ZINC000019714222 571035660 /nfs/dbraw/zinc/03/56/60/571035660.db2.gz NXSZLZTWEYZLLA-KRWDZBQOSA-N 0 0 397.906 4.578 40 0 GJABRN Cc1cc2[nH]c(C(=O)N3CCC[C@@H](c4nc5ccccc5n4C)C3)cc2c(C)c1 ZINC000019714640 571036394 /nfs/dbraw/zinc/03/63/94/571036394.db2.gz PMFXKBHXYWESEW-QGZVFWFLSA-N 0 0 386.499 4.691 40 0 GJABRN CC[C@@H](NC(=O)c1cnc(-c2ccc(Cl)cc2)nc1)c1c(C)nn(CC)c1C ZINC000019717636 571040825 /nfs/dbraw/zinc/04/08/25/571040825.db2.gz PRKCKMWQUPJRRW-GOSISDBHSA-N 0 0 397.910 4.511 40 0 GJABRN CC[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccc(C)c(C)c1 ZINC000218819251 222590762 /nfs/dbraw/zinc/59/07/62/222590762.db2.gz CZVUTERTWSHAQG-GOSISDBHSA-N 0 0 376.294 4.712 40 0 GJABRN CCCOc1ccccc1CCCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000218933254 222590774 /nfs/dbraw/zinc/59/07/74/222590774.db2.gz ABHWWGADQJYKHT-UHFFFAOYSA-N 0 0 383.532 4.901 40 0 GJABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000219319803 222594240 /nfs/dbraw/zinc/59/42/40/222594240.db2.gz YKNNUKHMUUQWTI-GOSISDBHSA-N 0 0 399.878 4.514 40 0 GJABRN CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222548250 222609197 /nfs/dbraw/zinc/60/91/97/222609197.db2.gz ZHGXXSIBOVTSEZ-HSZRJFAPSA-N 0 0 394.559 4.507 40 0 GJABRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000058988036 230940994 /nfs/dbraw/zinc/94/09/94/230940994.db2.gz HTNCQIQYMXTEAI-GFCCVEGCSA-N 0 0 396.796 4.659 40 0 GJABRN Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1C ZINC000222873460 222616787 /nfs/dbraw/zinc/61/67/87/222616787.db2.gz GMYYOZUZKJASEV-ZHZULCJRSA-N 0 0 376.481 4.775 40 0 GJABRN CCc1ccc(O[C@H](CC)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1 ZINC000222899192 222618157 /nfs/dbraw/zinc/61/81/57/222618157.db2.gz CRGHVLFUMCLEFV-NHCUHLMSSA-N 0 0 397.515 4.834 40 0 GJABRN