smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1ccc(Nc2nc3c(ncn3COCCO)c(Cl)n2)cc1 ZINC000001647877 203822749 /nfs/dbraw/zinc/82/27/49/203822749.db2.gz SYBYUEREIFUEHW-UHFFFAOYSA-N 0 0 375.860 3.532 1 0 GHAFRN Cc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)o1 ZINC000002455940 203945762 /nfs/dbraw/zinc/94/57/62/203945762.db2.gz XYOCBBUSHRPTJM-OALUTQOASA-N 0 0 380.469 3.876 1 0 GHAFRN CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C=C(C(=O)CC)NN1 ZINC000003786523 204019207 /nfs/dbraw/zinc/01/92/07/204019207.db2.gz INNWZDNVOIAPRP-UHFFFAOYSA-N 0 0 398.333 3.501 1 0 GHAFRN O=C(c1cnccn1)N1CCC2(CN(c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956090 204022144 /nfs/dbraw/zinc/02/21/44/204022144.db2.gz QUYRNKFMOBZMOZ-UHFFFAOYSA-N 0 0 384.483 3.886 1 0 GHAFRN COc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)Nc4ccccc4)C3)C2)cc1 ZINC000003956034 204022679 /nfs/dbraw/zinc/02/26/79/204022679.db2.gz APHPCXSEDQGPHI-HSZRJFAPSA-N 0 0 393.487 3.855 1 0 GHAFRN COCCCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21 ZINC000004910106 204090337 /nfs/dbraw/zinc/09/03/37/204090337.db2.gz UQIRWORDDSGAJH-UHFFFAOYSA-N 0 0 395.459 3.762 3 0 GHAFRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cnn(C)c2)nc1 ZINC000004658240 204061043 /nfs/dbraw/zinc/06/10/43/204061043.db2.gz BGTMMDAQGIKLGM-IBGZPJMESA-N 0 0 377.448 3.570 1 0 GHAFRN CC(C)(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000005950360 204158440 /nfs/dbraw/zinc/15/84/40/204158440.db2.gz NAMXWLDRNCAMLB-UHFFFAOYSA-N 0 0 377.492 3.736 1 0 GHAFRN CCCCNc1ccc(Cl)cc1S(=O)(=O)n1cccc1C(=O)OCC ZINC000005973634 204159550 /nfs/dbraw/zinc/15/95/50/204159550.db2.gz BPHYFNNQEQKLNP-UHFFFAOYSA-N 0 0 384.885 3.767 1 0 GHAFRN COc1ccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1 ZINC000006483949 204179357 /nfs/dbraw/zinc/17/93/57/204179357.db2.gz QBIUUJPBCDSNOS-KRWDZBQOSA-N 0 0 394.456 3.777 1 0 GHAFRN CCC[C@H](Cc1ccccc1)c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O ZINC000012405518 204405383 /nfs/dbraw/zinc/40/53/83/204405383.db2.gz DBLPPSBEJYKOBD-QGZVFWFLSA-N 0 0 382.508 3.833 1 0 GHAFRN NC(=O)c1ccccc1NC(=O)CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000012604200 204430984 /nfs/dbraw/zinc/43/09/84/204430984.db2.gz HYOOXJUGVNTTSC-NFAYLAGKSA-N 0 0 391.309 3.848 1 0 GHAFRN CC(C)(C)n1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2)c1=O ZINC000013487664 204491923 /nfs/dbraw/zinc/49/19/23/204491923.db2.gz ZUQFJMIWJIBLTJ-UHFFFAOYSA-N 0 0 382.485 3.736 1 0 GHAFRN CCCCn1c(Cc2cc(OC)ccc2Br)nc2c1ncnc2N ZINC000013679899 204502431 /nfs/dbraw/zinc/50/24/31/204502431.db2.gz UUKVBKHGDGVWSB-UHFFFAOYSA-N 0 0 390.285 3.571 1 0 GHAFRN Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(C3CCCCC3)c12 ZINC000027983640 204863871 /nfs/dbraw/zinc/86/38/71/204863871.db2.gz UGHRKFGZKYCPOJ-UHFFFAOYSA-N 0 0 390.491 3.553 1 0 GHAFRN CN(C)c1ccc([C@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 ZINC000026842730 204849376 /nfs/dbraw/zinc/84/93/76/204849376.db2.gz FGEVHLQAUMOPOZ-DEOSSOPVSA-N 0 0 384.483 3.947 1 0 GHAFRN OC[C@@H](O)COc1ccc([C@@H]2c3ccc(O)cc3CC[C@@H]2c2ccccc2)cc1 ZINC000039247840 205040494 /nfs/dbraw/zinc/04/04/94/205040494.db2.gz ZFQXHEGIFFPBHJ-PFATUAPWSA-N 0 0 390.479 3.986 1 0 GHAFRN CNC(=S)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000040753160 205070392 /nfs/dbraw/zinc/07/03/92/205070392.db2.gz HLXNYCDIPUGOBD-PXNSSMCTSA-N 0 0 381.501 3.532 1 0 GHAFRN COc1cc([C@H]2c3ccc(Cl)cc3NC3=COC(=O)C32)cc(OC)c1OC ZINC000040422515 205065558 /nfs/dbraw/zinc/06/55/58/205065558.db2.gz GIDGVGDUAGXEJB-KRWDZBQOSA-N 0 0 387.819 3.734 1 0 GHAFRN COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@H](C[S@@](C)=O)[C@H]3O ZINC000040568181 205067586 /nfs/dbraw/zinc/06/75/86/205067586.db2.gz GPSLASOFQREIGT-RYABVKPQSA-N 0 0 396.593 3.538 1 0 GHAFRN COC(=O)[C@]1(c2ccc(O)c(F)c2)Nc2ccccc2-c2ccnc3[nH]cc1c32 ZINC000045336272 205095644 /nfs/dbraw/zinc/09/56/44/205095644.db2.gz ZDQKAUDPHOXRPZ-JOCHJYFZSA-N 0 0 389.386 3.917 1 0 GHAFRN COc1cccc(OC)c1[C@H]1SCC(=O)N1c1cc(Br)ccn1 ZINC000045496576 205097548 /nfs/dbraw/zinc/09/75/48/205097548.db2.gz VETSLUBUXUFMLZ-MRXNPFEDSA-N 0 0 395.278 3.640 1 0 GHAFRN O=C(c1ccccc1Cl)N1CCN(C(=O)c2ccccc2Cl)C1=S ZINC000040891667 205074227 /nfs/dbraw/zinc/07/42/27/205074227.db2.gz MEPAFLGCTORBSC-UHFFFAOYSA-N 0 0 379.268 3.877 1 0 GHAFRN O=C(N[C@H]1CCc2ccccc2C1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000040953063 205074955 /nfs/dbraw/zinc/07/49/55/205074955.db2.gz RSJUYPGFGAQOLP-IBGZPJMESA-N 0 0 390.483 3.754 1 0 GHAFRN O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@@H]1c1cccc(F)c1 ZINC000049072147 205125660 /nfs/dbraw/zinc/12/56/60/205125660.db2.gz XTZSDCZTLBPUEP-GOSISDBHSA-N 0 0 391.855 3.691 1 0 GHAFRN Cc1cc(C)c(C2=NO[C@@H](Cn3cnc4c3ncnc4N3CCCC3)C2)c(C)c1 ZINC000049020132 205126086 /nfs/dbraw/zinc/12/60/86/205126086.db2.gz QGIJYIKCDJDZLK-QGZVFWFLSA-N 0 0 390.491 3.545 1 0 GHAFRN CC[C@@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)nc2C(F)(F)F)c1=O ZINC000049792785 205130652 /nfs/dbraw/zinc/13/06/52/205130652.db2.gz QORYBUSGILYYAD-ZDUSSCGKSA-N 0 0 397.401 3.782 1 0 GHAFRN C[C@@]1(C(=O)NCc2cccs2)Cc2c(nccc2-c2ccc3c(c2)OCO3)O1 ZINC000061925644 205183922 /nfs/dbraw/zinc/18/39/22/205183922.db2.gz GDWNEFBWOOBHLO-NRFANRHFSA-N 0 0 394.452 3.549 3 0 GHAFRN CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc3cccccc1-3)C(=O)N2 ZINC000064540326 205191251 /nfs/dbraw/zinc/19/12/51/205191251.db2.gz XIEWBCOXJCLOQY-UNOMPAQXSA-N 0 0 378.453 3.534 1 0 GHAFRN O=C(OCC(F)(F)F)[C@@H]1C[C@@H]2[C@@H](CC[C@@H]3c4ccc(O)cc4CC[C@@H]23)[C@H]1O ZINC000066260073 205241572 /nfs/dbraw/zinc/24/15/72/205241572.db2.gz PDIQXPLKPYEEMC-PDCGBLAGSA-N 0 0 384.394 3.551 1 0 GHAFRN Cc1cc2nc(-c3nccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C ZINC000068246437 205271804 /nfs/dbraw/zinc/27/18/04/205271804.db2.gz RLRIWYVVMLSWOC-UHFFFAOYSA-N 0 0 387.472 3.873 1 0 in-vivo GHAFRN CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccccc2C)C1 ZINC000072132405 205306534 /nfs/dbraw/zinc/30/65/34/205306534.db2.gz NCQPZIRBDAIPQU-IBGZPJMESA-N 0 0 385.485 3.620 3 0 GHAFRN CC(C)(O)[C@H]1Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2O1 ZINC000072175820 205316846 /nfs/dbraw/zinc/31/68/46/205316846.db2.gz WFFULJPEIICVGU-MRXNPFEDSA-N 0 0 377.234 3.743 1 0 GHAFRN NC(=O)COc1ccc(Nc2nncc3c(-c4ccc(O)cc4)cccc32)cc1 ZINC000073196757 205354641 /nfs/dbraw/zinc/35/46/41/205354641.db2.gz DWCYWAJPGFLAPO-UHFFFAOYSA-N 0 0 386.411 3.610 1 0 GHAFRN CN1C/C=C/CNC(=O)c2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 ZINC000073197708 205355847 /nfs/dbraw/zinc/35/58/47/205355847.db2.gz ZMLBTAKSSGMMME-NSCUHMNNSA-N 0 0 385.471 3.619 1 0 GHAFRN COc1ccc(N2C(=O)O/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1 ZINC000082157964 205389947 /nfs/dbraw/zinc/38/99/47/205389947.db2.gz OWGAPDFRBPGCFE-DHDCSXOGSA-N 0 0 390.189 3.688 1 0 GHAFRN CC1(C)Cc2cnn(-c3ccc(F)cc3)c2-c2cc(NS(C)(=O)=O)ccc21 ZINC000084618692 205396515 /nfs/dbraw/zinc/39/65/15/205396515.db2.gz GAUZJDPTYAVGDL-UHFFFAOYSA-N 0 0 385.464 3.884 1 0 GHAFRN COc1cc(N)ccc1-c1nc2s[nH]c(-c3c(F)cccc3F)c-2c(=O)n1 ZINC000084633784 205397422 /nfs/dbraw/zinc/39/74/22/205397422.db2.gz KKCDZYUHCUUMCQ-UHFFFAOYSA-N 0 0 386.383 3.583 1 0 GHAFRN Cc1ccc(S(=O)(=O)N[C@H](/C(=C/c2ccoc2)[N+](=O)[O-])c2ccccc2)cc1 ZINC000084669540 205397698 /nfs/dbraw/zinc/39/76/98/205397698.db2.gz IRVDVCQVTAOKKI-DTBYZMGXSA-N 0 0 398.440 3.925 1 0 GHAFRN Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(c1)nnc2C1CCOCC1 ZINC000084741391 205399490 /nfs/dbraw/zinc/39/94/90/205399490.db2.gz UQAUVNGZYFVFSB-UHFFFAOYSA-N 0 0 394.450 3.630 1 0 GHAFRN O=C(NCc1cccc(C(F)(F)F)c1)Nc1cnc2ccc(Cl)cn2c1=O ZINC000169313105 205826038 /nfs/dbraw/zinc/82/60/38/205826038.db2.gz LOCVFQNUIKKHFV-UHFFFAOYSA-N 0 0 396.756 3.688 1 0 GHAFRN O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(F)cc2F)C(=O)C1 ZINC000059280324 136155618 /nfs/dbraw/zinc/15/56/18/136155618.db2.gz ZOYYBBVWQHUPOL-UHFFFAOYSA-N 0 0 385.197 3.761 1 0 GHAFRN Cc1cccc(NC(=O)c2ccc(Cl)o2)c1N1CCC2(CC1)OCCO2 ZINC000062241945 136156407 /nfs/dbraw/zinc/15/64/07/136156407.db2.gz YRFPTZPAVDAEDW-UHFFFAOYSA-N 0 0 376.840 3.837 1 0 GHAFRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@@H]1CCc1ccccc1 ZINC000066136638 222139204 /nfs/dbraw/zinc/13/92/04/222139204.db2.gz FQFGPWUWWDFTRF-LJQANCHMSA-N 0 0 380.513 3.825 1 0 GHAFRN CC(C)N1CCN(Cc2csc(N)c2C(=O)c2ccc(Cl)cc2)CC1 ZINC000073224362 222268550 /nfs/dbraw/zinc/26/85/50/222268550.db2.gz ZTWZRYZHIXOGES-UHFFFAOYSA-N 0 0 377.941 3.741 1 0 GHAFRN CC(C)(C)OC(=O)N1O[C@H]2CC[C@@H]1C21CCN(c2ccc(N)cc2F)CC1 ZINC000084669102 534866386 /nfs/dbraw/zinc/86/63/86/534866386.db2.gz VGHKWUJMJQOSOD-SJORKVTESA-N 0 0 377.460 3.708 1 0 GHAFRN CC(C)(C)N(Cc1ccc2c(c1)OCO2)C(=O)/C=C\[S@@](=O)c1ccccc1 ZINC000031904810 203835549 /nfs/dbraw/zinc/83/55/49/203835549.db2.gz ONNGZSNFZVBIIU-VMAVNYORSA-N 0 0 385.485 3.864 3 0 GHAFRN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C)cc1 ZINC000003657689 204018605 /nfs/dbraw/zinc/01/86/05/204018605.db2.gz MSVGVUNRVDUXJA-WOJBJXKFSA-N 0 0 391.427 3.541 3 0 GHAFRN Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3ccncc3)c2n1 ZINC000003815564 204019075 /nfs/dbraw/zinc/01/90/75/204019075.db2.gz XMTYXUJCIGTOHH-UHFFFAOYSA-N 0 0 398.253 3.791 1 0 GHAFRN Cc1c2c(c(NC(=O)C(C)(C)C)c(C)c1NS(C)(=O)=O)N(CC(C)C)CC2 ZINC000003819882 204019302 /nfs/dbraw/zinc/01/93/02/204019302.db2.gz BYQLAIWMFUGUJH-UHFFFAOYSA-N 0 0 395.569 3.678 1 0 GHAFRN COc1cccc(Cn2c(=O)c(-c3ccc(Cl)cc3)nc3cncnc32)c1 ZINC000004238823 204033885 /nfs/dbraw/zinc/03/38/85/204033885.db2.gz DRNWOQQRWNJAIJ-UHFFFAOYSA-N 0 0 378.819 3.564 1 0 GHAFRN COc1ccccc1CCn1c(=O)c(-c2ccc(Cl)cc2)nc2cncnc21 ZINC000004238222 204034043 /nfs/dbraw/zinc/03/40/43/204034043.db2.gz QMQSVFUSQFOTSK-UHFFFAOYSA-N 0 0 392.846 3.758 1 0 GHAFRN CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(Cc3cccs3)c2n1 ZINC000004238434 204034152 /nfs/dbraw/zinc/03/41/52/204034152.db2.gz VFRIJSPVUBEKEO-UHFFFAOYSA-N 0 0 399.426 3.673 1 0 GHAFRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc4c3CCCC4)ccc21 ZINC000004884413 204087008 /nfs/dbraw/zinc/08/70/08/204087008.db2.gz OAKGVFUOQJLNLX-UHFFFAOYSA-N 0 0 384.501 3.665 1 0 GHAFRN CCOc1ccc(NC(=O)CCC(=O)N2C[C@H](C)Oc3ccc(C)cc32)cc1 ZINC000006797934 204206682 /nfs/dbraw/zinc/20/66/82/204206682.db2.gz NZCLOHUFNOTAPH-INIZCTEOSA-N 0 0 382.460 3.927 1 0 GHAFRN COc1ccc(C2=NC(C)(C)Cc3cc(OC)c(OC)c(OC)c32)cc1OC ZINC000006720867 204194056 /nfs/dbraw/zinc/19/40/56/204194056.db2.gz DLUVIRBCNVCTEO-UHFFFAOYSA-N 0 0 385.460 3.902 1 0 GHAFRN Cc1ncoc1C(=O)N1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1 ZINC000011839300 204355937 /nfs/dbraw/zinc/35/59/37/204355937.db2.gz GNPXKFZKKMCUKA-UHFFFAOYSA-N 0 0 379.416 3.734 1 0 GHAFRN CO[C@H](c1nnc(CCC(=O)N(C)Cc2sccc2C)o1)c1ccccc1 ZINC000012208133 204383554 /nfs/dbraw/zinc/38/35/54/204383554.db2.gz APKUBFMKCRAENV-IBGZPJMESA-N 0 0 385.489 3.767 1 0 GHAFRN COc1ccc2c(c1)O[C@]13CCCC[C@H]1[C@H]2[C@@H](C(=O)c1ccccc1)C(=O)N3 ZINC000013139558 204483496 /nfs/dbraw/zinc/48/34/96/204483496.db2.gz MEICLZFPTXVLNK-QUZFRVLNSA-N 0 0 377.440 3.687 1 0 GHAFRN COc1ccc2c(-c3ccnc(Nc4cccc(C(F)(F)F)c4)n3)cnn2n1 ZINC000013582613 204496663 /nfs/dbraw/zinc/49/66/63/204496663.db2.gz IGMVMVBDVWUCTC-UHFFFAOYSA-N 0 0 386.337 3.957 1 0 GHAFRN COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1[S@](=O)c1ccccc1 ZINC000013651708 204501628 /nfs/dbraw/zinc/50/16/28/204501628.db2.gz XMWLGOQISPRPRQ-MHZLTWQESA-N 0 0 381.453 3.816 1 0 GHAFRN CC(C)n1cnc2c1nc(NCCCO)nc2NC12CC3CC(CC(C3)C1)C2 ZINC000013834338 204516997 /nfs/dbraw/zinc/51/69/97/204516997.db2.gz USRDCEFPCOKVLA-UHFFFAOYSA-N 0 0 384.528 3.582 1 0 GHAFRN c1csc([C@@H](c2nnnn2Cc2ccccc2)N2CCc3ccccc3C2)c1 ZINC000019372860 204640648 /nfs/dbraw/zinc/64/06/48/204640648.db2.gz HTRNONFEQGZFHW-NRFANRHFSA-N 0 0 387.512 3.931 3 0 GHAFRN CCOC(=O)N1CCC(c2ccccc2C)(S(=O)(=O)c2ccccc2)CC1 ZINC000028354843 204872382 /nfs/dbraw/zinc/87/23/82/204872382.db2.gz RNOBOZCHZUJUGJ-UHFFFAOYSA-N 0 0 387.501 3.917 1 0 GHAFRN Cc1ccccc1NC(=O)Cc1nc(COC(=O)Cc2ccccc2)cs1 ZINC000032943375 204930923 /nfs/dbraw/zinc/93/09/23/204930923.db2.gz XXPZURHUKKFNHR-UHFFFAOYSA-N 0 0 380.469 3.919 3 0 GHAFRN COc1cc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc(OC)c1OC ZINC000036348617 205012669 /nfs/dbraw/zinc/01/26/69/205012669.db2.gz KCSORQVHOHMLSF-UHFFFAOYSA-N 0 0 377.404 3.585 1 0 GHAFRN O=c1c2[nH]c3cc(Br)sc3c2cnn1Cc1ccccc1F ZINC000036379075 205015178 /nfs/dbraw/zinc/01/51/78/205015178.db2.gz SFUTZABIUOKDNQ-UHFFFAOYSA-N 0 0 378.226 3.889 1 0 GHAFRN CN1C[C@@H](c2ccco2)[C@@]2(Cc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000040392097 205062989 /nfs/dbraw/zinc/06/29/89/205062989.db2.gz SDLIQIODQYIIOB-NTUVXCKYSA-N 0 0 384.435 3.582 1 0 GHAFRN Cc1nc(-c2[nH]c(NC(=O)C(C)C)nc2-c2ccc3nccnc3c2)ccc1F ZINC000040420717 205065982 /nfs/dbraw/zinc/06/59/82/205065982.db2.gz AKXGHZQCJYYVLK-UHFFFAOYSA-N 0 0 390.422 3.546 1 0 GHAFRN C[C@@H](C(=O)N1CCN(C)CC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O ZINC000040718941 205067205 /nfs/dbraw/zinc/06/72/05/205067205.db2.gz FOWCXBJBUBERNS-NJAFHUGGSA-N 0 0 386.561 3.659 1 0 GHAFRN CC1=C[C@H](c2ccccc2)NC(=NN2C(=O)c3cccc4cccc(c43)C2=O)N1 ZINC000045287482 205093658 /nfs/dbraw/zinc/09/36/58/205093658.db2.gz UFMQKUNWUGNPCQ-LJQANCHMSA-N 0 0 382.423 3.545 1 0 GHAFRN O=C(NC(=O)c1ccccc1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000045315925 205094039 /nfs/dbraw/zinc/09/40/39/205094039.db2.gz KQFPRUKDTQMNHM-MRXNPFEDSA-N 0 0 394.862 3.607 1 0 GHAFRN CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(C2)CC(C)(C)Oc2ccccc23)cc1 ZINC000045291443 205094983 /nfs/dbraw/zinc/09/49/83/205094983.db2.gz METGKJXSNUFDCU-HSZRJFAPSA-N 0 0 394.471 3.574 1 0 GHAFRN O=C([O-])c1ccc(-c2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccnc2)CC3)cc1 ZINC000040861992 205073519 /nfs/dbraw/zinc/07/35/19/205073519.db2.gz MEEVTPQSLOSEEA-GOTSBHOMSA-N 0 0 388.467 3.627 1 0 GHAFRN N=C1SC(=Cc2c[nH]nc2-c2ccc(F)c(F)c2)C(=O)N1c1nccs1 ZINC000040918181 205074944 /nfs/dbraw/zinc/07/49/44/205074944.db2.gz RKZMCFBPYPNBJJ-IJVJCDDPSA-N 0 0 389.412 3.867 1 0 GHAFRN CCN(CC)C(=O)c1c2nnc(C(C)C)n2c2ncccc2c1OCC(C)C ZINC000040916870 205075482 /nfs/dbraw/zinc/07/54/82/205075482.db2.gz KCITUFMNKXEZIJ-UHFFFAOYSA-N 0 0 383.496 3.918 1 0 GHAFRN Ic1ccc(Nc2nc(-c3ccccn3)cs2)nc1 ZINC000040951421 205076110 /nfs/dbraw/zinc/07/61/10/205076110.db2.gz NMJGIAZGQDHVAH-UHFFFAOYSA-N 0 0 380.214 3.948 1 0 GHAFRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccn1 ZINC000058592159 205177148 /nfs/dbraw/zinc/17/71/48/205177148.db2.gz UHOGUADOCQXGIA-UHFFFAOYSA-N 0 0 387.848 3.788 1 0 GHAFRN Cc1ccccc1Oc1ccc2c(c1)[C@@H]1C[C@H]3[C@@H](C(=O)N1CC2)[C@H](C)ON3C ZINC000061942582 205184308 /nfs/dbraw/zinc/18/43/08/205184308.db2.gz OMEYOYAKTUGZRK-CUBKBFNLSA-N 0 0 378.472 3.867 3 0 GHAFRN COc1cc2c(cc1OC)[C@@H]1Cc3c4cc(C)ccc4oc(=O)c3CN1CC2 ZINC000064475284 205190918 /nfs/dbraw/zinc/19/09/18/205190918.db2.gz LBNXXRJMGOQFCM-IBGZPJMESA-N 0 0 377.440 3.774 1 0 GHAFRN Cc1ccc(C2=NN(C3N=NC(=S)N3c3ccc(C)cc3)C(=O)CC2)cc1 ZINC000066075636 205239135 /nfs/dbraw/zinc/23/91/35/205239135.db2.gz MNBGKOTWKOPFPR-UHFFFAOYSA-N 0 0 377.473 3.704 1 0 GHAFRN O=C(c1nc(CN2CCOCC2)c2ccccn21)c1cccc(Cl)c1Cl ZINC000071319254 205281928 /nfs/dbraw/zinc/28/19/28/205281928.db2.gz HDQPMGYDNBFKSZ-UHFFFAOYSA-N 0 0 390.270 3.704 1 0 GHAFRN CCCCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c2cccnc21 ZINC000072323465 205324413 /nfs/dbraw/zinc/32/44/13/205324413.db2.gz LPJLZECRTYAXIN-UHFFFAOYSA-N 0 0 381.476 3.826 2 0 GHAFRN CC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000072126029 205306647 /nfs/dbraw/zinc/30/66/47/205306647.db2.gz JMWPOZKRNXCSCZ-SJORKVTESA-N 0 0 377.444 3.762 1 0 GHAFRN O=C(Nc1ccccc1)c1nn(C(=O)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000072176550 205316965 /nfs/dbraw/zinc/31/69/65/205316965.db2.gz YDIRCKIYRSSNMI-UHFFFAOYSA-N 0 0 385.379 3.706 1 0 GHAFRN C[C@@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072177811 205317609 /nfs/dbraw/zinc/31/76/09/205317609.db2.gz LKTRGGYWYHEIGU-PBHICJAKSA-N 0 0 383.803 3.759 1 0 GHAFRN COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccccc3Cl)[C@H]1C2 ZINC000072181896 205318106 /nfs/dbraw/zinc/31/81/06/205318106.db2.gz KJIPNYWGWXZQPF-UGSOOPFHSA-N 0 0 387.892 3.534 1 0 GHAFRN CCC(=O)[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]1(C)C(=O)CCC1=CCOC1=O ZINC000169310297 205826813 /nfs/dbraw/zinc/82/68/13/205826813.db2.gz QSCKCWXZUDXSMG-CNNODRBYSA-N 0 0 392.492 3.562 1 0 GHAFRN C/C1=C\[C@@H]2OC(=O)[C@@H](C[NH+](C)C)[C@@H]2CC[C@H](C)/C=C\C/C(C(=O)[O-])=C/CC1 ZINC000169304740 205827126 /nfs/dbraw/zinc/82/71/26/205827126.db2.gz WLFVSQNOWMRTMD-UJBQFOBRSA-N 0 0 375.509 3.820 1 0 GHAFRN O=c1c(Cl)c(Cl)cnn1C[C@@H]1CN1Cc1cc2ccccc2nc1Cl ZINC000169328809 205827622 /nfs/dbraw/zinc/82/76/22/205827622.db2.gz BMWLSSYORUIAFZ-AKYMPMEGSA-N 0 0 395.677 3.636 1 0 GHAFRN Cc1ccc2c(n1)N(Cc1ccccc1)C[C@H](C(=O)NC1CCCCC1)[C@H]2O ZINC000058591939 136155605 /nfs/dbraw/zinc/15/56/05/136155605.db2.gz WVCDDLORMKFNDV-SFTDATJTSA-N 0 0 379.504 3.509 1 0 GHAFRN Cc1cc(N2CCOCC2)nc2ccc(NC(=S)N3CCCC[C@@H]3C)cc12 ZINC000004969794 136194452 /nfs/dbraw/zinc/19/44/52/136194452.db2.gz POSFNCTYWHGORE-INIZCTEOSA-N 0 0 384.549 3.951 3 0 GHAFRN CC(=O)N1c2ccccc2Sc2ccc([C@]3(O)CN4CCCC[C@@H]4CO3)cc21 ZINC000169307107 136197175 /nfs/dbraw/zinc/19/71/75/136197175.db2.gz KKMBXXALNIVSEE-VGSWGCGISA-N 0 0 396.512 3.866 1 0 GHAFRN COc1cc(C=Cc2nc3ccc(F)cc3c(=O)[nH]2)ccc1-n1cnc(C)c1 ZINC000066251332 222139517 /nfs/dbraw/zinc/13/95/17/222139517.db2.gz XWMWVGJYHRNAGQ-XBXARRHUSA-N 0 0 376.391 3.735 1 0 GHAFRN CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccccc3)c(-c3ccccc3)c2C1=O ZINC000013776360 517945449 /nfs/dbraw/zinc/94/54/49/517945449.db2.gz LABGENIBVXEMHK-MOPGFXCFSA-N 0 0 397.482 3.781 1 0 GHAFRN COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3OC)[C@@H](C)C(=O)[C@@H]2C)c(OC)c1 ZINC000013451615 570755326 /nfs/dbraw/zinc/75/53/26/570755326.db2.gz CDLFHAJPNMKGLG-WRMVBYCNSA-N 0 0 399.487 3.948 1 0 GHAFRN COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1cccnc1)O2 ZINC000026177736 581100215 /nfs/dbraw/zinc/10/02/15/581100215.db2.gz OAJSJJPMPWRFIG-HXUWFJFHSA-N 0 0 382.441 3.611 1 0 GHAFRN Cc1cc(Br)c(-c2ccc(/C=C3/NC(=S)NC3=O)o2)cc1C ZINC000001200687 203894841 /nfs/dbraw/zinc/89/48/41/203894841.db2.gz AHHKOSLMCOJMHO-NTUHNPAUSA-N 0 0 377.263 3.671 1 0 GHAFRN O=c1cnc2cnc(Oc3cccc(Cl)c3)nc2n1Cc1ccc(F)cc1 ZINC000004238369 204034238 /nfs/dbraw/zinc/03/42/38/204034238.db2.gz XSMCDOBYRQPNPJ-UHFFFAOYSA-N 0 0 382.782 3.820 1 0 GHAFRN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2cccs2)cc1C ZINC000004854151 204083431 /nfs/dbraw/zinc/08/34/31/204083431.db2.gz KXZOIKAYDCOIBH-IBGZPJMESA-N 0 0 388.514 3.661 1 0 GHAFRN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2ccccc2)CC1 ZINC000004914665 204091052 /nfs/dbraw/zinc/09/10/52/204091052.db2.gz RKTUMMVRTOHLTE-HXUWFJFHSA-N 0 0 379.460 3.874 3 0 GHAFRN c1ccc(C2=NN3CN(N2)c2ccccc2OCCCOc2ccccc23)cc1 ZINC000005850206 204153939 /nfs/dbraw/zinc/15/39/39/204153939.db2.gz LVVAKKBDDNZPIW-UHFFFAOYSA-N 0 0 386.455 3.998 1 0 GHAFRN CC(C)CCNC(=O)C1CCN(C(=O)N2CCOc3ccc(Cl)cc32)CC1 ZINC000006841841 204214858 /nfs/dbraw/zinc/21/48/58/204214858.db2.gz VDGTUQVURBHPMG-UHFFFAOYSA-N 0 0 393.915 3.533 1 0 GHAFRN COc1cc2c(cc1OC)C(c1ccc(Br)cc1)N=NC(=S)C2 ZINC000013555779 204493759 /nfs/dbraw/zinc/49/37/59/204493759.db2.gz JZAVVIRFGIWYFT-UHFFFAOYSA-N 0 0 391.290 3.692 1 0 GHAFRN c1ccc(-c2nnc3c4c(c(OCc5cccnn5)nn23)C2CCC4CC2)cc1 ZINC000013610278 204499105 /nfs/dbraw/zinc/49/91/05/204499105.db2.gz PZIQTZQOFYKORR-UHFFFAOYSA-N 0 0 384.443 3.915 1 0 GHAFRN COc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2F)cc1 ZINC000026816401 204850294 /nfs/dbraw/zinc/85/02/94/204850294.db2.gz HMSYPBPTGFSOMB-UHFFFAOYSA-N 0 0 380.301 3.686 1 0 GHAFRN O=C1[C@@H]2Nc3ccc(Br)cc3[C@@H]2N=CN1CCc1ccc(F)cc1 ZINC000040405586 205063940 /nfs/dbraw/zinc/06/39/40/205063940.db2.gz WEANAKHXLOWZNC-DLBZAZTESA-N 0 0 388.240 3.537 1 0 GHAFRN O=C([C@@H]1CCc2c(Cl)cc(OCC3CCCCC3)c(=O)n21)N1CCCC1 ZINC000040408287 205064871 /nfs/dbraw/zinc/06/48/71/205064871.db2.gz NKBQTNIOTHRGTP-KRWDZBQOSA-N 0 0 378.900 3.571 1 0 GHAFRN Nc1cc(O)cc(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)c1Cl ZINC000040575893 205067161 /nfs/dbraw/zinc/06/71/61/205067161.db2.gz GXNKLEHRDDRTQV-UHFFFAOYSA-N 0 0 385.729 3.512 1 0 GHAFRN COc1cccc(Cc2cc(C)nn(Cc3ccc(Br)cc3)c2=O)c1 ZINC000043119780 205082807 /nfs/dbraw/zinc/08/28/07/205082807.db2.gz SULJMMYTHOZFTJ-UHFFFAOYSA-N 0 0 399.288 3.962 1 0 GHAFRN C[C@]1(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)CC1(Cl)Cl ZINC000045318924 205094191 /nfs/dbraw/zinc/09/41/91/205094191.db2.gz HJXCSZMIFFJCCI-GOSISDBHSA-N 0 0 381.303 3.740 1 0 GHAFRN COc1ccc2c(c1)[C@H](CCNC(C)=O)C[C@@H](c1cccc(NC(C)=O)c1)C2 ZINC000045496791 205098145 /nfs/dbraw/zinc/09/81/45/205098145.db2.gz BNKULXIEJQQXDY-UXHICEINSA-N 0 0 380.488 3.993 1 0 GHAFRN CC[C@H]1OC(=O)C2=C1NC1=C(C(=O)OC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040810694 205073190 /nfs/dbraw/zinc/07/31/90/205073190.db2.gz RTGYQVIYIWQPHQ-VXGBXAGGSA-N 0 0 394.196 3.516 1 0 GHAFRN COCc1cc2c(o1)c(OC)ncc2C(=O)Nc1c(Cl)cncc1Cl ZINC000040835439 205073334 /nfs/dbraw/zinc/07/33/34/205073334.db2.gz JNVIIHPWPKHZAP-UHFFFAOYSA-N 0 0 382.203 3.937 1 0 GHAFRN CC(=O)Oc1ccc2cc(-n3cc(-c4ccc(C)cc4)nn3)c(=O)oc2c1C ZINC000053224581 205134671 /nfs/dbraw/zinc/13/46/71/205134671.db2.gz PYMQYDXCVHFNTG-UHFFFAOYSA-N 0 0 375.384 3.583 1 0 GHAFRN COC(=O)c1cccc(C[C@@]2(C)C(=O)Nc3ccc(OC(F)(F)F)cc32)c1 ZINC000061896737 205182711 /nfs/dbraw/zinc/18/27/11/205182711.db2.gz QOPOLCWFTUZRNH-GOSISDBHSA-N 0 0 379.334 3.824 3 0 GHAFRN COCOc1ccc(-c2ncc(OC)nc2NC(=O)c2cc(C)oc2C)cc1 ZINC000061928568 205184179 /nfs/dbraw/zinc/18/41/79/205184179.db2.gz VZWPNBWMDGVUCB-UHFFFAOYSA-N 0 0 383.404 3.597 3 0 GHAFRN CC(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000061930324 205184249 /nfs/dbraw/zinc/18/42/49/205184249.db2.gz PNVFBBPVJBCMBW-QHCPKHFHSA-N 0 0 394.471 3.711 3 0 GHAFRN COc1ccccc1C1=C(C(=O)N2CCCCC2)N(C(=O)c2ccccc2)CC1 ZINC000072176073 205316873 /nfs/dbraw/zinc/31/68/73/205316873.db2.gz VPOUHLBLZXFICA-UHFFFAOYSA-N 0 0 390.483 3.965 1 0 GHAFRN COc1cc(/C=C/c2ccc(/C=C/c3cc(OC)cc(=O)o3)cc2)oc(=O)c1 ZINC000073199168 205356214 /nfs/dbraw/zinc/35/62/14/205356214.db2.gz QVNXHWCUVXBSNR-FIFLTTCUSA-N 0 0 378.380 3.951 1 0 GHAFRN Cc1ccncc1NC(=O)c1ccnc2[nH]c(N3CC[C@H](c4ccccc4)C3)nc21 ZINC000084655532 205397964 /nfs/dbraw/zinc/39/79/64/205397964.db2.gz QQYKOWGBNFEJPJ-KRWDZBQOSA-N 0 0 398.470 3.908 1 0 GHAFRN CNc1ccc(/C=C2/C(=O)Nc3ccc(I)cc32)cc1 ZINC000084728285 205399149 /nfs/dbraw/zinc/39/91/49/205399149.db2.gz XEPONHHBWQCUKU-RIYZIHGNSA-N 0 0 376.197 3.826 1 0 GHAFRN CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cccc(Cl)c2)ON1C ZINC000095589789 205500748 /nfs/dbraw/zinc/50/07/48/205500748.db2.gz KQLGIQMMTBPDQM-ZIAGYGMSSA-N 0 0 376.777 3.506 1 0 GHAFRN COc1ccc([C@H]2CC(c3nc4ccccc4[nH]3)=NN2C(=O)c2ccncc2)cc1 ZINC000103213329 205643026 /nfs/dbraw/zinc/64/30/26/205643026.db2.gz GWVKEFHIYGZNSK-OAQYLSRUSA-N 0 0 397.438 3.958 1 0 GHAFRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3[C@@H](C)[C@@]4(O)C[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000169357248 205830930 /nfs/dbraw/zinc/83/09/30/205830930.db2.gz PPWXHEFVBQBHDR-KWUVEXDQSA-N 0 0 392.536 3.863 1 0 GHAFRN Nc1ccccc1NC(=O)c1ccc(N2CCC3(CNc4ccccc43)CC2)nc1 ZINC000040422327 132404701 /nfs/dbraw/zinc/40/47/01/132404701.db2.gz MIMFQMSYGWSKSM-UHFFFAOYSA-N 0 0 399.498 3.880 1 0 GHAFRN c1cc2cc(-c3nc4c(cnn4-c4ccccc4)c(N4CCOCC4)n3)ccc2[nH]1 ZINC000049087985 132436484 /nfs/dbraw/zinc/43/64/84/132436484.db2.gz BLWDCTWBBZULIS-UHFFFAOYSA-N 0 0 396.454 3.800 1 0 GHAFRN CCCc1cc(=O)oc2c3c(c(C(=O)[C@@H](C)CC)c(O)c12)O[C@H](C(C)(C)O)C3 ZINC000014584371 574413483 /nfs/dbraw/zinc/41/34/83/574413483.db2.gz KTJYLXIAFCVVBF-FZMZJTMJSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN O=c1c2c([nH]c3ccccc31)[C@@H](c1ccc3c(c1)CCO3)N(c1ccccn1)C2 ZINC000028100198 581100849 /nfs/dbraw/zinc/10/08/49/581100849.db2.gz NPQHDOLBQQVPMG-HSZRJFAPSA-N 0 0 381.435 3.968 1 0 investigational GHAFRN CC(=O)O[C@@H]1[C@H]2c3c(ccc4c3O[C@@H](c3ccccc3)CC4=O)O[C@H]2OC1(C)C ZINC000095914645 291131072 /nfs/dbraw/zinc/13/10/72/291131072.db2.gz QLKSLGRVBGVPPG-IYERYRBDSA-N 0 0 394.423 3.936 1 0 biogenic,in-vitro GHAFRN COc1ccc2c(c1OC)CN1CCc3cc(OC)c(OC)cc3[C@@H]1[C@H]2OC ZINC000059587218 291133238 /nfs/dbraw/zinc/13/32/38/291133238.db2.gz BXGAULGFFMWADT-IRLDBZIGSA-N 0 0 385.460 3.522 1 0 biogenic,in-vitro GHAFRN Cc1cc(C)nc(SCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000003268967 203993981 /nfs/dbraw/zinc/99/39/81/203993981.db2.gz CNKSZUNKQBNVLN-UHFFFAOYSA-N 0 0 376.791 3.891 3 0 GHAFRN CC(C)(C)n1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)C[S@](=O)C2 ZINC000004106174 204027219 /nfs/dbraw/zinc/02/72/19/204027219.db2.gz FZHJVVMNKDQLDT-AREMUKBSSA-N 0 0 385.411 3.672 3 0 GHAFRN CCN1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)CC1 ZINC000004908426 204090375 /nfs/dbraw/zinc/09/03/75/204090375.db2.gz HTRASMUBKMAMJJ-UHFFFAOYSA-N 0 0 395.572 3.885 3 0 GHAFRN CC(C)C[C@@H]1[C@@H](OCc2ccccc2)COS(=O)(=O)N1Cc1ccccc1 ZINC000005840981 204153264 /nfs/dbraw/zinc/15/32/64/204153264.db2.gz ZAXRNHPEEGDYQG-RTWAWAEBSA-N 0 0 389.517 3.764 1 0 GHAFRN CN(C(=O)Cn1ncc2c1-c1ccccc1OC2)c1ccc(Br)cc1 ZINC000006805290 204209387 /nfs/dbraw/zinc/20/93/87/204209387.db2.gz PHKYCHVKCKWXPV-UHFFFAOYSA-N 0 0 398.260 3.868 1 0 GHAFRN CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000006852907 204216060 /nfs/dbraw/zinc/21/60/60/204216060.db2.gz OBUOTEZRDMDNCG-ULXDGKDISA-N 0 0 380.525 3.730 1 0 GHAFRN CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(N)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000026381693 204843125 /nfs/dbraw/zinc/84/31/25/204843125.db2.gz DFEHVAXVFGVOIU-FOQDYCOESA-N 0 0 387.568 3.704 1 0 GHAFRN COC(=O)c1ccc([C@@]2(C)SC(N[C@@H](C)c3ccc(F)cc3)=NC2=O)cc1 ZINC000040392892 205063069 /nfs/dbraw/zinc/06/30/69/205063069.db2.gz XGZFRGZBEHDKKL-FKIZINRSSA-N 0 0 386.448 3.808 1 0 GHAFRN Nc1cc(O)cc(Cn2nc(-c3cc(Cl)cc(Cl)c3)oc2=O)c1Cl ZINC000040576112 205066804 /nfs/dbraw/zinc/06/68/04/205066804.db2.gz OUFAOHREIMSOKR-UHFFFAOYSA-N 0 0 386.622 3.800 1 0 GHAFRN O=C1OC=C2Nc3cc4c(cc3[C@@H](c3cc(Br)cs3)C12)OCO4 ZINC000040859939 205074193 /nfs/dbraw/zinc/07/41/93/205074193.db2.gz WMAYIJUTPHXKKG-AWEZNQCLSA-N 0 0 392.230 3.608 1 0 GHAFRN CCCO[C@H]1C[C@H](CCC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 ZINC000040914947 205075428 /nfs/dbraw/zinc/07/54/28/205075428.db2.gz AMVOHPRTAVBEHH-RDJZCZTQSA-N 0 0 394.903 3.871 1 0 GHAFRN COc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000040933607 205076073 /nfs/dbraw/zinc/07/60/73/205076073.db2.gz GLFYTVZQZCEWEJ-CQSZACIVSA-N 0 0 383.835 3.929 1 0 GHAFRN COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2cccc(Br)c2)cc1 ZINC000057011019 205153871 /nfs/dbraw/zinc/15/38/71/205153871.db2.gz XYXZDCDAMRNHSQ-QZTJIDSGSA-N 0 0 387.277 3.968 3 0 GHAFRN CCc1nc2ccc(C(=O)Nc3cccc(OC)c3)cn2c1N(CC)CCOC ZINC000061902230 205183571 /nfs/dbraw/zinc/18/35/71/205183571.db2.gz LJQLVFQVHCXBHE-UHFFFAOYSA-N 0 0 396.491 3.630 3 0 GHAFRN O=c1c2cc(F)ccc2nc2n1-c1ccccc1C(=O)N[C@H]2Cc1ccccc1 ZINC000061949325 205184315 /nfs/dbraw/zinc/18/43/15/205184315.db2.gz ZYRJNQZYSIZZIP-IBGZPJMESA-N 0 0 385.398 3.552 3 0 GHAFRN COc1cc(NC(=O)c2cnccn2)ccc1NC(=O)c1ccccc1Cl ZINC000066077941 205240310 /nfs/dbraw/zinc/24/03/10/205240310.db2.gz BGCVQXIDOHQTKF-UHFFFAOYSA-N 0 0 382.807 3.643 1 0 GHAFRN CC(C)OC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@@H]1C(=O)OC(C)C ZINC000072113129 205305772 /nfs/dbraw/zinc/30/57/72/205305772.db2.gz VAPBCFLHEBMRTJ-IBGZPJMESA-N 0 0 395.455 3.903 1 0 GHAFRN COc1ccc(-c2ccc3c(c2)CN(C(=O)C(C)(C)C)Cc2cnnn2-3)cc1 ZINC000072141755 205308241 /nfs/dbraw/zinc/30/82/41/205308241.db2.gz GSUSTOPJINIONQ-UHFFFAOYSA-N 0 0 376.460 3.831 3 0 GHAFRN CN1C(=N)N[C@](c2ccncc2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O ZINC000084605146 205395510 /nfs/dbraw/zinc/39/55/10/205395510.db2.gz WQDRKRNUWIGAKB-OAQYLSRUSA-N 0 0 376.847 3.642 1 0 GHAFRN O=C1CSC(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccco2)=N1 ZINC000084670532 205397414 /nfs/dbraw/zinc/39/74/14/205397414.db2.gz VFARRDOBEWNGCZ-CYBMUJFWSA-N 0 0 390.262 3.823 1 0 GHAFRN CNc1ccc(/C=C2\C(=O)Nc3ccc(I)cc32)cc1 ZINC000084728279 205398820 /nfs/dbraw/zinc/39/88/20/205398820.db2.gz XEPONHHBWQCUKU-ZSOIEALJSA-N 0 0 376.197 3.826 1 0 GHAFRN CC(=O)Oc1ccc(OC(C)=O)c2cc(CCc3nc4cccnc4[nH]3)ccc12 ZINC000098081894 205600911 /nfs/dbraw/zinc/60/09/11/205600911.db2.gz LLPYNMUJKNTGGQ-UHFFFAOYSA-N 0 0 389.411 3.747 1 0 GHAFRN O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1cccc(O)c1 ZINC000103211780 205643403 /nfs/dbraw/zinc/64/34/03/205643403.db2.gz FTORTRMCHPBFAJ-HXUWFJFHSA-N 0 0 383.411 3.655 1 0 GHAFRN COc1cccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000095571181 136182262 /nfs/dbraw/zinc/18/22/62/136182262.db2.gz OZIOAYHBUOPLTC-UHFFFAOYSA-N 0 0 397.331 3.916 1 0 GHAFRN Cc1ccc([C@H]2C[C@H]2C(=O)N2[C@H](C(=O)N3CCCC3)C[C@@H]3CCCC[C@@H]32)cc1 ZINC000026473490 221640978 /nfs/dbraw/zinc/64/09/78/221640978.db2.gz GGVZIOUZLAKIJT-MNVIUDHYSA-N 0 0 380.532 3.881 1 0 GHAFRN CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(C(F)(F)F)cc1 ZINC000029475029 221693490 /nfs/dbraw/zinc/69/34/90/221693490.db2.gz FVVCWIKAIFTYMP-UHFFFAOYSA-N 0 0 389.303 3.978 1 0 GHAFRN CC(C)N1C(=O)O[C@](C)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)C1=O ZINC000071332332 222181543 /nfs/dbraw/zinc/18/15/43/222181543.db2.gz FAEBICDZIIEOKJ-JOCHJYFZSA-N 0 0 376.412 3.798 1 0 GHAFRN CC(C)(C)c1ccc(C2=NN(c3ccc(S(C)(=O)=O)cc3)C(=O)CC2)cc1 ZINC000096911506 535111165 /nfs/dbraw/zinc/11/11/65/535111165.db2.gz BNTDXZFIWPYWGM-UHFFFAOYSA-N 0 0 384.501 3.919 1 0 GHAFRN COc1cc2c(c(O)c1C/C=C/c1ccc(O)cc1)[C@H](OC)[C@H](C(C)(C)O)O2 ZINC000095099533 291133223 /nfs/dbraw/zinc/13/32/23/291133223.db2.gz ZMVUHJMPHFFOGZ-GFXBWGLESA-N 0 0 386.444 3.582 1 0 biogenic,in-vitro GHAFRN O=C(C1CC1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002456548 203945824 /nfs/dbraw/zinc/94/58/24/203945824.db2.gz KWTYMEMFFWZKQT-SFHVURJKSA-N 0 0 385.261 3.729 1 0 GHAFRN CC(C)(C)n1nc2c(c1NC(=O)Cc1cccc3ccccc31)C[S@@](=O)C2 ZINC000002725130 203958248 /nfs/dbraw/zinc/95/82/48/203958248.db2.gz NXEMPFDSGFQWFN-MHZLTWQESA-N 0 0 381.501 3.735 3 0 GHAFRN Cn1cc(-c2nc3cnc(Oc4ccccc4)nc3n(C)c2=O)c2ccccc21 ZINC000004238898 204033911 /nfs/dbraw/zinc/03/39/11/204033911.db2.gz UJYYHSDVNCCMQT-UHFFFAOYSA-N 0 0 383.411 3.675 1 0 GHAFRN COc1cc2c(c(OC)c1OC)-c1ncc3cc(OC)c(OC)c(OC)c3c1C2 ZINC000028462505 204874410 /nfs/dbraw/zinc/87/44/10/204874410.db2.gz QXLIIXNROHHIOH-UHFFFAOYSA-N 0 0 397.427 3.858 1 0 GHAFRN Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000028889828 204882873 /nfs/dbraw/zinc/88/28/73/204882873.db2.gz KDICQMGDECIGIR-UHFFFAOYSA-N 0 0 375.354 3.698 1 0 GHAFRN CCN(CC)[C@@H]1Oc2cc3c(cc2[C@H](c2cccc(OC)c2O)[C@@H]1C)OCO3 ZINC000031861176 204907888 /nfs/dbraw/zinc/90/78/88/204907888.db2.gz WPDLZCMMCBSTQN-DLQQFWPKSA-N 0 0 385.460 3.958 3 0 GHAFRN CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)[C@H](CF)c1ccc(F)cc1Cl ZINC000040393293 205062984 /nfs/dbraw/zinc/06/29/84/205062984.db2.gz RIXSUKZAANUDAM-HZPDHXFCSA-N 0 0 392.851 3.947 1 0 GHAFRN COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccc(F)cc3C)cn2)cn1 ZINC000040394431 205063558 /nfs/dbraw/zinc/06/35/58/205063558.db2.gz JTBHLQXMGZKKRH-UHFFFAOYSA-N 0 0 376.395 3.551 1 0 GHAFRN COc1ccc([C@H]2CC(Nc3nc4ccccc4s3)=NN2C(C)=O)cc1O ZINC000045256997 205093617 /nfs/dbraw/zinc/09/36/17/205093617.db2.gz CUMPAINCDZCEKD-CQSZACIVSA-N 0 0 382.445 3.729 1 0 GHAFRN CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(C2)CC(C)(C)Oc2ccccc23)cc1 ZINC000045291446 205094145 /nfs/dbraw/zinc/09/41/45/205094145.db2.gz METGKJXSNUFDCU-QHCPKHFHSA-N 0 0 394.471 3.574 1 0 GHAFRN Cc1cn(C)c2c1c(C(=O)N1CCOCC1)cnc2Nc1cccc(Cl)c1 ZINC000045245276 205094443 /nfs/dbraw/zinc/09/44/43/205094443.db2.gz WBVXNTIOPAQNPN-UHFFFAOYSA-N 0 0 384.867 3.751 1 0 GHAFRN CC(=O)Nc1ccc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)cc1 ZINC000045354678 205095405 /nfs/dbraw/zinc/09/54/05/205095405.db2.gz YTOCDWXAXAGLPM-UHFFFAOYSA-N 0 0 398.422 3.805 1 0 GHAFRN Cc1c2ccccc2sc1CC(=O)N1CCc2cccc3c2[C@H]1CNC3=O ZINC000045340145 205096441 /nfs/dbraw/zinc/09/64/41/205096441.db2.gz APLPMDTYLNNONS-QGZVFWFLSA-N 0 0 376.481 3.622 1 0 GHAFRN COc1ccc(CCN2C=CC=C3C2=Nc2cc(C)ccc2OS3(=O)=O)cc1 ZINC000040865549 205073964 /nfs/dbraw/zinc/07/39/64/205073964.db2.gz STJWWQHJAYPSGI-UHFFFAOYSA-N 0 0 396.468 3.712 1 0 GHAFRN COc1cc(OC)cc([C@H]2c3cc(Cl)c(OC)cc3NC3=COC(=O)C32)c1 ZINC000040899112 205074550 /nfs/dbraw/zinc/07/45/50/205074550.db2.gz FHTVUZGTEHQEAX-SFHVURJKSA-N 0 0 387.819 3.734 1 0 GHAFRN O=C(Nc1[nH]nc2ncc(Br)cc21)c1ccccc1C(F)(F)F ZINC000053230462 205134532 /nfs/dbraw/zinc/13/45/32/205134532.db2.gz KQDVXMZLBUBUEI-UHFFFAOYSA-N 0 0 385.143 3.992 1 0 GHAFRN CO[C@@]1(C)CCc2c(c3c(c4c2O[C@](C)(OC)CC4)O[C@](C)(OC)CC3)O1 ZINC000053297737 205135608 /nfs/dbraw/zinc/13/56/08/205135608.db2.gz ICDPYUGQIRPYQX-PCCBWWKXSA-N 0 0 378.465 3.749 1 0 GHAFRN O=C1N(Cc2ccc(Cl)s2)c2ccccc2[C@@]1(O)c1ccc2c(c1)OCO2 ZINC000071332726 205282240 /nfs/dbraw/zinc/28/22/40/205282240.db2.gz TULDBBHYLQHVBO-FQEVSTJZSA-N 0 0 399.855 3.913 1 0 GHAFRN COc1c(OCC2CC2)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 ZINC000072118284 205305061 /nfs/dbraw/zinc/30/50/61/205305061.db2.gz YTUNBRIKVNISRV-QGZVFWFLSA-N 0 0 379.456 3.965 1 0 GHAFRN CCN(CC)C(=O)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2 ZINC000103217614 205643485 /nfs/dbraw/zinc/64/34/85/205643485.db2.gz RPQHVIFGEWFEJL-UHFFFAOYSA-N 0 0 399.487 3.604 1 0 GHAFRN COc1ccc(CN2c3ccc(/C=C/C(=O)OC(C)(C)C)cc3C(=O)C2=O)cc1 ZINC000103230700 205643832 /nfs/dbraw/zinc/64/38/32/205643832.db2.gz ADPPKSKOGUFMGH-XYOKQWHBSA-N 0 0 393.439 3.780 1 0 GHAFRN Cc1nc(N(C=O)Cc2ccc(Cl)cc2)nc(C(F)(F)C(F)(F)F)n1 ZINC000103287640 205644998 /nfs/dbraw/zinc/64/49/98/205644998.db2.gz VWEAXEILQUAYJY-UHFFFAOYSA-N 0 0 380.704 3.651 1 0 GHAFRN BrC1=CC[C@]23COC[C@]24C[C@H]1O[C@@H](C4)C(Br)=CC3 ZINC000102953082 205638537 /nfs/dbraw/zinc/63/85/37/205638537.db2.gz SWXRIKQGWWGZFX-LVEBTZEWSA-N 0 0 376.088 3.902 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3ncccc3C(F)(F)F)CC2)c1 ZINC000095568084 136182077 /nfs/dbraw/zinc/18/20/77/136182077.db2.gz KVKZHHDRJAZSNA-UHFFFAOYSA-N 0 0 395.454 3.631 1 0 GHAFRN CC(=O)N1c2ccccc2Sc2ccc([C@@]3(O)CN4CCCC[C@@H]4CO3)cc21 ZINC000169307106 136197198 /nfs/dbraw/zinc/19/71/98/136197198.db2.gz KKMBXXALNIVSEE-VGOFRKELSA-N 0 0 396.512 3.866 1 0 GHAFRN CS(=O)(=O)Nc1ccc2c(c1)C(c1ccccc1Cl)=Nc1c[nH]nc1N2 ZINC000064541194 222071830 /nfs/dbraw/zinc/07/18/30/222071830.db2.gz NJCYRPYWLUDPJX-UHFFFAOYSA-N 0 0 387.852 3.661 1 0 GHAFRN CCOc1nc2ccccc2nc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000066156882 535571914 /nfs/dbraw/zinc/57/19/14/535571914.db2.gz PBEASSVQRPIKIP-UHFFFAOYSA-N 0 0 396.878 3.644 1 0 GHAFRN C[C@H]1C=C(C[C@H](O)CCCCCCCCCC[C@@H](O)[C@H]2CCC(=O)O2)C(=O)O1 ZINC000038496905 291133767 /nfs/dbraw/zinc/13/37/67/291133767.db2.gz QCRUDDMRGHFGNR-MTFMMBMASA-N 0 0 396.524 3.577 1 0 biogenic,in-vitro GHAFRN CN(Cc1ccc2nc(N)nc(N)c2n1)c1c(Cl)cc(Cl)cc1Cl ZINC000005849943 204154473 /nfs/dbraw/zinc/15/44/73/204154473.db2.gz RQTLSQCDNIJYOU-UHFFFAOYSA-N 0 0 383.670 3.786 1 0 GHAFRN COC(=O)C1=C(C(=O)OC)[C@@]2(C)Nc3ccccc3C2=C(c2ccccc2)C1 ZINC000005551803 204139281 /nfs/dbraw/zinc/13/92/81/204139281.db2.gz PFHWAZNEBHJABB-QHCPKHFHSA-N 0 0 375.424 3.828 1 0 GHAFRN COc1ccc(-c2noc(N3CCC(C(=O)N[C@H]4CCCC[C@@H]4C)CC3)n2)cc1 ZINC000006834189 204213357 /nfs/dbraw/zinc/21/33/57/204213357.db2.gz VHLFDOASDKHYSW-KXBFYZLASA-N 0 0 398.507 3.657 1 0 GHAFRN Cc1ccc(CN2c3ccccc3C(=O)N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000006522506 204182387 /nfs/dbraw/zinc/18/23/87/204182387.db2.gz PGRAGPPINAAJQL-UHFFFAOYSA-N 0 0 392.480 3.902 1 0 GHAFRN Cc1ccc2c(c1)[C@@H]1NC(=S)N[C@](C)(O2)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000008682934 204283980 /nfs/dbraw/zinc/28/39/80/204283980.db2.gz SGASQZHAKQZCRU-JTDSTZFVSA-N 0 0 387.892 3.531 1 0 GHAFRN O=C(Cc1ccc(F)cc1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000045365295 205096606 /nfs/dbraw/zinc/09/66/06/205096606.db2.gz YTTSLNOBHUEQHR-QGZVFWFLSA-N 0 0 383.854 3.965 1 0 GHAFRN CN1c2ccc(Cl)cc2C(=O)N[C@H](Cc2ccc(-c3ccoc3)cc2)C1=O ZINC000040822864 205073374 /nfs/dbraw/zinc/07/33/74/205073374.db2.gz MONRZFOGEGMWDI-GOSISDBHSA-N 0 0 380.831 3.918 1 0 GHAFRN O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000040900897 205074200 /nfs/dbraw/zinc/07/42/00/205074200.db2.gz LPLUQDBXZIJXRF-UHFFFAOYSA-N 0 0 385.464 3.784 1 0 GHAFRN CCOC(=O)C1C(c2ccc3c(c2)OCO3)=Nc2cc(OC)ccc2[C@@H]1OC ZINC000049055754 205125587 /nfs/dbraw/zinc/12/55/87/205125587.db2.gz PUOMPJUNHZGYFF-FQEVSTJZSA-N 0 0 383.400 3.511 1 0 GHAFRN CO[C@@]1(C)CCc2c3c(c4c(c2O1)CC[C@@](C)(OC)O4)CC[C@](C)(OC)O3 ZINC000053297743 205134647 /nfs/dbraw/zinc/13/46/47/205134647.db2.gz ICDPYUGQIRPYQX-NJYVYQBISA-N 0 0 378.465 3.749 1 0 GHAFRN COc1ccc(-c2nc(CN3CCN(C4CCCCC4)C(=O)C3)c(C)o2)cc1 ZINC000055090147 205141972 /nfs/dbraw/zinc/14/19/72/205141972.db2.gz HVILZOJMSCBEOU-UHFFFAOYSA-N 0 0 383.492 3.636 1 0 GHAFRN CCC(CC)N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O ZINC000059285493 205177942 /nfs/dbraw/zinc/17/79/42/205177942.db2.gz BXTVSNYWJZVQAW-UHFFFAOYSA-N 0 0 376.806 3.832 1 0 GHAFRN CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2cccs2)O3)cc1 ZINC000061897337 205182967 /nfs/dbraw/zinc/18/29/67/205182967.db2.gz CUBAFOUHVCJYDP-JOCHJYFZSA-N 0 0 393.512 3.886 3 0 GHAFRN Cc1ccccc1CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1ccccc1F ZINC000061903579 205183133 /nfs/dbraw/zinc/18/31/33/205183133.db2.gz VWNYLHVHRWOBSA-UHFFFAOYSA-N 0 0 389.430 3.958 3 0 GHAFRN COc1ccc(NC(=O)[C@H]2Cc3c(nccc3-c3cccc(F)c3)O2)cc1OC ZINC000061927135 205184407 /nfs/dbraw/zinc/18/44/07/205184407.db2.gz CMGSWMSJOXDASA-HXUWFJFHSA-N 0 0 394.402 3.847 3 0 GHAFRN CCCCCC(=O)N1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923902 205184664 /nfs/dbraw/zinc/18/46/64/205184664.db2.gz RUCOTNYZBWUKFL-FSSWDIPSSA-N 0 0 396.535 3.920 3 0 GHAFRN COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@@H]3NC(=S)N=C(N)[C@H]23)cc1 ZINC000064436912 205189307 /nfs/dbraw/zinc/18/93/07/205189307.db2.gz LZQNFYIYZIDOBD-GUXCAODWSA-N 0 0 390.468 3.576 1 0 GHAFRN COc1ccc([C@H]2N(c3cc(OC)c(OC)c(OC)c3)C(=O)C2(C)C)cc1O ZINC000066258498 205240592 /nfs/dbraw/zinc/24/05/92/205240592.db2.gz YAYWGSQRZLJQFX-LJQANCHMSA-N 0 0 387.432 3.541 1 0 GHAFRN O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1SCCN1C(=O)Nc1ccccc1 ZINC000066252618 205241890 /nfs/dbraw/zinc/24/18/90/205241890.db2.gz KPTBYQJZTAEZGO-UPBOUCHGSA-N 0 0 385.533 3.534 1 0 GHAFRN COc1cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(OC)c1OC ZINC000071341005 205283213 /nfs/dbraw/zinc/28/32/13/205283213.db2.gz DRRPERJPOWCAOA-UHFFFAOYSA-N 0 0 382.199 3.820 1 0 GHAFRN CCOC(=O)C1CCN(C(=O)c2cnc3c(ccn3C3CCCCC3)c2)CC1 ZINC000072323614 205325204 /nfs/dbraw/zinc/32/52/04/205325204.db2.gz GGYHJCYTUNDUJW-UHFFFAOYSA-N 0 0 383.492 3.957 2 0 GHAFRN Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCC(O)CC1 ZINC000072141491 205309121 /nfs/dbraw/zinc/30/91/21/205309121.db2.gz LZMWFPIUZDOPGD-UHFFFAOYSA-N 0 0 390.483 3.679 1 0 GHAFRN C[C@@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072177813 205318154 /nfs/dbraw/zinc/31/81/54/205318154.db2.gz LKTRGGYWYHEIGU-YOEHRIQHSA-N 0 0 383.803 3.759 1 0 GHAFRN O=C(NC1CC1)c1cnn2c1N(C(=O)Nc1ccccc1)[C@H](c1ccccc1)C2 ZINC000073197182 205355031 /nfs/dbraw/zinc/35/50/31/205355031.db2.gz CSNCDCZRPBSSMS-IBGZPJMESA-N 0 0 387.443 3.569 1 0 GHAFRN COc1cc(C(=O)c2sc(-c3ccc(C)cc3)nc2N)cc(OC)c1OC ZINC000084669663 205397257 /nfs/dbraw/zinc/39/72/57/205397257.db2.gz QKCKISKCPANDJM-UHFFFAOYSA-N 0 0 384.457 3.958 1 0 GHAFRN COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OC(=O)c2ccccc2)cc1 ZINC000101627281 205625501 /nfs/dbraw/zinc/62/55/01/205625501.db2.gz PNBPYOLPWDNNBM-ONZPZFSWSA-N 0 0 390.399 3.609 1 0 aggregator GHAFRN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000005145610 220834154 /nfs/dbraw/zinc/83/41/54/220834154.db2.gz DOOXYMMXSIEXGX-GOSISDBHSA-N 0 0 393.512 3.940 1 0 GHAFRN Oc1cc(Cl)cc(-c2nc3c4cccnc4oc3c(N3CCOCC3)n2)c1 ZINC000103256481 136191031 /nfs/dbraw/zinc/19/10/31/136191031.db2.gz GEGXNDJKYFYHOB-UHFFFAOYSA-N 0 0 382.807 3.634 1 0 GHAFRN CC(C)N1C(=O)O[C@@](C)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)C1=O ZINC000071332334 222181983 /nfs/dbraw/zinc/18/19/83/222181983.db2.gz FAEBICDZIIEOKJ-QFIPXVFZSA-N 0 0 376.412 3.798 1 0 GHAFRN CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(CC(C)(C)C)cc21 ZINC000103263571 222494829 /nfs/dbraw/zinc/49/48/29/222494829.db2.gz URTPIOIKUGTKJB-UHFFFAOYSA-N 0 0 395.463 3.610 1 0 GHAFRN CC1(C)OC(=O)C(Oc2ccc(Cl)cc2)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000000841676 581093733 /nfs/dbraw/zinc/09/37/33/581093733.db2.gz SSUJSRHMLFBGKA-UHFFFAOYSA-N 0 0 392.860 3.869 1 0 GHAFRN O=C(Nc1ccc2c(c1)-c1ccccc1S2(=O)=O)N1CCC(F)(F)CC1 ZINC000230471956 581091077 /nfs/dbraw/zinc/09/10/77/581091077.db2.gz CHISZLOVTPVOGH-UHFFFAOYSA-N 0 0 378.400 3.763 1 0 in-vitro GHAFRN Cn1c2ccccc2nc(Nc2ccc(C(=O)NCc3cccs3)cc2)c1=O ZINC000013982625 581098747 /nfs/dbraw/zinc/09/87/47/581098747.db2.gz PTCVBYZQODIWFK-UHFFFAOYSA-N 0 0 390.468 3.669 1 0 GHAFRN CC(=O)Nc1sc(Br)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001654686 203916543 /nfs/dbraw/zinc/91/65/43/203916543.db2.gz ZMIXRLWPIXXUAN-UHFFFAOYSA-N 0 0 394.699 3.955 1 0 GHAFRN CCOc1ccccc1CN1C(=O)c2ccccc2[C@H]1C(=O)NC1CCCC1 ZINC000003049331 203984131 /nfs/dbraw/zinc/98/41/31/203984131.db2.gz VRSDMDQJFQYRTR-NRFANRHFSA-N 0 0 378.472 3.841 1 0 GHAFRN O=C(Nc1ccccc1)N1CCC2(CC1)CCN(C(=O)c1ccncc1)CC2 ZINC000003956150 204022024 /nfs/dbraw/zinc/02/20/24/204022024.db2.gz SQERRSKYWWSFNN-UHFFFAOYSA-N 0 0 378.476 3.632 1 0 GHAFRN Cc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000003956119 204022807 /nfs/dbraw/zinc/02/28/07/204022807.db2.gz IAXGGXRQNFKKPR-UHFFFAOYSA-N 0 0 396.491 3.842 1 0 GHAFRN CCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000004101347 204027139 /nfs/dbraw/zinc/02/71/39/204027139.db2.gz ZHFVFVCRGYVXHG-UHFFFAOYSA-N 0 0 391.512 3.740 3 0 GHAFRN O=c1c(-c2ccccc2)nc2cnc(Nc3ccccc3)nc2n1C[C@H]1CCCO1 ZINC000004239112 204034792 /nfs/dbraw/zinc/03/47/92/204034792.db2.gz LBOPIIHJEOQHKK-GOSISDBHSA-N 0 0 399.454 3.776 1 0 GHAFRN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@H](C)CC2=O)c1 ZINC000005052423 204106720 /nfs/dbraw/zinc/10/67/20/204106720.db2.gz QFUCMNVJIZQMEB-CYBMUJFWSA-N 0 0 386.473 3.560 1 0 GHAFRN COc1ccc(OC)c(NC(=O)CN2c3ccccc3S[C@@H](C)CC2=O)c1 ZINC000005052430 204107337 /nfs/dbraw/zinc/10/73/37/204107337.db2.gz QFUCMNVJIZQMEB-ZDUSSCGKSA-N 0 0 386.473 3.560 1 0 GHAFRN CCN1c2cc(C(=O)N3CCCCCC3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000005058527 204108385 /nfs/dbraw/zinc/10/83/85/204108385.db2.gz QUOCPEHLNYBVLB-MUUNZHRXSA-N 0 0 396.512 3.850 3 0 GHAFRN CCOC(=O)N1CCC2(C[C@](Sc3ccccc3)(C(C)=O)[C@H](C)O2)CC1 ZINC000006001632 204161688 /nfs/dbraw/zinc/16/16/88/204161688.db2.gz ZCCYPQBEQCASBG-JXFKEZNVSA-N 0 0 377.506 3.906 1 0 GHAFRN CC[C@@H](C(=O)NCc1cccnc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006780664 204204452 /nfs/dbraw/zinc/20/44/52/204204452.db2.gz LKFSLSMWDUXODO-INIZCTEOSA-N 0 0 392.484 3.582 3 0 GHAFRN Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(C)c1 ZINC000006887650 204219965 /nfs/dbraw/zinc/21/99/65/204219965.db2.gz DFYSWOPAVKGACI-UHFFFAOYSA-N 0 0 376.503 3.847 3 0 GHAFRN CCOC(=O)OC[C@@H]1O[C@@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1OC(=O)OCC ZINC000007992133 204258198 /nfs/dbraw/zinc/25/81/98/204258198.db2.gz UBMADRXNHGCFFZ-SQNIBIBYSA-N 0 0 392.404 3.600 1 0 GHAFRN CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000008552331 204279330 /nfs/dbraw/zinc/27/93/30/204279330.db2.gz AJLFOPYRIVGYMJ-JWHCKXFMSA-N 0 0 390.520 3.950 1 0 GHAFRN C=CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(F)c(Br)c1 ZINC000013797531 204513751 /nfs/dbraw/zinc/51/37/51/204513751.db2.gz HIONRJFCDLKILS-UHFFFAOYSA-N 0 0 388.200 3.795 1 0 GHAFRN Cc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)nn2n1 ZINC000028368875 204874331 /nfs/dbraw/zinc/87/43/31/204874331.db2.gz TYORKQCCPSQNJF-UHFFFAOYSA-N 0 0 381.432 3.914 1 0 GHAFRN O[C@@](Cn1cncn1)(Cn1cnc2ccccc21)c1ccc(Cl)cc1Cl ZINC000028894809 204883531 /nfs/dbraw/zinc/88/35/31/204883531.db2.gz VXWBGSDSHHZSFQ-GOSISDBHSA-N 0 0 388.258 3.523 1 0 GHAFRN COc1cc(Cc2nn(C(C)(C)C)c(=O)c3ccccc23)cc(OC)c1OC ZINC000040564776 205066838 /nfs/dbraw/zinc/06/68/38/205066838.db2.gz GAUNEMUWJGDBDU-UHFFFAOYSA-N 0 0 382.460 3.768 1 0 GHAFRN COc1cc(OC)cc([C@@H]2c3ccc(OC4CC4)cc3NC3=COC(=O)C32)c1 ZINC000045484775 205097901 /nfs/dbraw/zinc/09/79/01/205097901.db2.gz ZBEFUVNWNKBMOD-HXUWFJFHSA-N 0 0 379.412 3.613 1 0 GHAFRN COc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000040933609 205075722 /nfs/dbraw/zinc/07/57/22/205075722.db2.gz GLFYTVZQZCEWEJ-AWEZNQCLSA-N 0 0 383.835 3.929 1 0 GHAFRN CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccccc3F)n2n1 ZINC000040936394 205076015 /nfs/dbraw/zinc/07/60/15/205076015.db2.gz JQZHQAUKZWNDCV-UHFFFAOYSA-N 0 0 376.395 3.739 1 0 GHAFRN NC(=O)c1ccc2c(nc(NCc3ccccc3Cl)n2Cc2ccccc2)n1 ZINC000049792373 205130926 /nfs/dbraw/zinc/13/09/26/205130926.db2.gz WXIZFJGRFZQGCX-UHFFFAOYSA-N 0 0 391.862 3.844 1 0 GHAFRN O=c1cc(Cn2c3nccnc3nc2C2CCCC2)c2ccc(F)c(F)c2[nH]1 ZINC000059097374 205178228 /nfs/dbraw/zinc/17/82/28/205178228.db2.gz ZVUYKQNFKZJBGZ-UHFFFAOYSA-N 0 0 381.386 3.652 1 0 GHAFRN COc1ccc(NC(=O)[C@H]2Cc3c(nccc3-c3cccc(C(C)=O)c3)O2)cc1 ZINC000061906709 205183889 /nfs/dbraw/zinc/18/38/89/205183889.db2.gz FHMRXPQYLYTMSL-OAQYLSRUSA-N 0 0 388.423 3.902 3 0 GHAFRN CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ocnc43)n2)c1 ZINC000064526701 205190915 /nfs/dbraw/zinc/19/09/15/205190915.db2.gz OLKHEIVNVLUUAG-UHFFFAOYSA-N 0 0 381.417 3.509 1 0 GHAFRN Cn1ccc(NC(=O)c2cnn(Cc3ccc(Cl)c(C(F)(F)F)c3)c2)n1 ZINC000066078459 205240382 /nfs/dbraw/zinc/24/03/82/205240382.db2.gz ACFDGEIOKJPZDC-UHFFFAOYSA-N 0 0 383.761 3.589 1 0 GHAFRN CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1cccc(O)c1 ZINC000066259778 205240659 /nfs/dbraw/zinc/24/06/59/205240659.db2.gz VMJFLUHOBNMASH-IEJURRBGSA-N 0 0 392.407 3.837 1 0 GHAFRN Cc1ccc(-n2nc3c4cc(Cc5ccccc5)ccc4[nH]c(=O)n3c2=O)cc1 ZINC000066251814 205241137 /nfs/dbraw/zinc/24/11/37/205241137.db2.gz AHVORQFVDUDBGE-UHFFFAOYSA-N 0 0 382.423 3.638 1 0 GHAFRN Cc1ccc(-n2nc3c4cc(Cc5ccsc5)ccc4[nH]c(=O)n3c2=O)cc1 ZINC000066251816 205241245 /nfs/dbraw/zinc/24/12/45/205241245.db2.gz QFNIUSCJDRGDSG-UHFFFAOYSA-N 0 0 388.452 3.700 1 0 GHAFRN CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(C(F)(F)F)cn2)no1 ZINC000068245139 205272263 /nfs/dbraw/zinc/27/22/63/205272263.db2.gz WWVQOPCDGDSZNA-LBPRGKRZSA-N 0 0 382.386 3.993 1 0 GHAFRN CC(C)C(=O)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072184377 205317262 /nfs/dbraw/zinc/31/72/62/205317262.db2.gz KCAWVQLMBVVSSY-IBGZPJMESA-N 0 0 375.875 3.764 1 0 GHAFRN COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@H](c3ccccc3Cl)[C@H]1C2 ZINC000072181895 205317770 /nfs/dbraw/zinc/31/77/70/205317770.db2.gz KJIPNYWGWXZQPF-SCLBCKFNSA-N 0 0 387.892 3.534 1 0 GHAFRN [NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1O)C(=O)[O-] ZINC000084616031 205396328 /nfs/dbraw/zinc/39/63/28/205396328.db2.gz LWWRFJPKYKXGSD-IBGZPJMESA-N 0 0 379.481 3.829 1 0 GHAFRN COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1Cc1ccc(Cl)cc1 ZINC000001494542 560180876 /nfs/dbraw/zinc/18/08/76/560180876.db2.gz UBZBOEWMQPWUKB-UHFFFAOYSA-N 0 0 377.849 3.533 1 0 in-vitro GHAFRN C[C@H](CO)Sc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1 ZINC000029466519 581098290 /nfs/dbraw/zinc/09/82/90/581098290.db2.gz BFMZEGLJNQXWAI-SNVBAGLBSA-N 0 0 391.436 3.644 1 0 GHAFRN COc1cc2c(c(O)c1C/C=C/c1ccc(O)cc1)[C@@H](OC)[C@H](C(C)(C)O)O2 ZINC000095099529 291133249 /nfs/dbraw/zinc/13/32/49/291133249.db2.gz ZMVUHJMPHFFOGZ-VGKRUOJXSA-N 0 0 386.444 3.582 1 0 biogenic,in-vitro GHAFRN COc1cc2c(c(O)c1C/C=C/c1ccc(O)cc1)[C@H](OC)[C@@H](C(C)(C)O)O2 ZINC000095099531 291133260 /nfs/dbraw/zinc/13/32/60/291133260.db2.gz ZMVUHJMPHFFOGZ-FBGCVXFKSA-N 0 0 386.444 3.582 1 0 biogenic,in-vitro GHAFRN Cn1cccc1C(=O)N1CCC2(CCCN(C(=O)Nc3cccc(F)c3)C2)CC1 ZINC000003956204 204022280 /nfs/dbraw/zinc/02/22/80/204022280.db2.gz AJJZKJZTNUMXLD-UHFFFAOYSA-N 0 0 398.482 3.715 1 0 GHAFRN NC(=O)c1cc(N2CCOCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000003991295 204023042 /nfs/dbraw/zinc/02/30/42/204023042.db2.gz UFGPZQXQWNTCOZ-UHFFFAOYSA-N 0 0 393.418 3.616 1 0 GHAFRN Brc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)s1 ZINC000004101591 204027601 /nfs/dbraw/zinc/02/76/01/204027601.db2.gz BWZYOZQETLHLMP-UHFFFAOYSA-N 0 0 378.280 3.522 3 0 GHAFRN O=c1c(-c2cc(F)cc(F)c2)nc2cncnc2n1Cc1ccccc1Cl ZINC000004238619 204034468 /nfs/dbraw/zinc/03/44/68/204034468.db2.gz WWAXXLFCKFXHRE-UHFFFAOYSA-N 0 0 384.773 3.833 1 0 GHAFRN O=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccccc1Cl ZINC000004238853 204034885 /nfs/dbraw/zinc/03/48/85/204034885.db2.gz AQDBKTIMLZJUFZ-UHFFFAOYSA-N 0 0 376.847 3.673 1 0 GHAFRN O=C(c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)N1CCCC1 ZINC000005042979 204106322 /nfs/dbraw/zinc/10/63/22/204106322.db2.gz KHVGLMZNKZKJIM-UHFFFAOYSA-N 0 0 388.272 3.796 3 0 GHAFRN CCOc1ncn(-c2ccc(NC(=S)NC34CC5CC(CC(C5)C3)C4)cc2)n1 ZINC000005733603 204149409 /nfs/dbraw/zinc/14/94/09/204149409.db2.gz KTWILMFWBAMWBU-UHFFFAOYSA-N 0 0 397.548 3.921 1 0 GHAFRN CC(C)C[C@H]1[C@@H](OCc2ccccc2)COS(=O)(=O)N1Cc1ccccc1 ZINC000005840988 204152487 /nfs/dbraw/zinc/15/24/87/204152487.db2.gz ZAXRNHPEEGDYQG-SFTDATJTSA-N 0 0 389.517 3.764 1 0 GHAFRN COc1ccc(O)c(Cc2ccnc3c2NC(=O)c2cccnc2N3C2CC2)c1 ZINC000005853643 204153829 /nfs/dbraw/zinc/15/38/29/204153829.db2.gz LTOHQGYNEVCWEA-UHFFFAOYSA-N 0 0 388.427 3.648 1 0 GHAFRN COc1cc2c(cc1OC(=O)c1cc3ccccc3[nH]1)N=C[C@@H]1CCCN1C2=O ZINC000006003614 204161197 /nfs/dbraw/zinc/16/11/97/204161197.db2.gz MQRZJGARDSCQHC-AWEZNQCLSA-N 0 0 389.411 3.716 1 0 GHAFRN CC[C@H](C(=O)NCc1cccnc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006780666 204205038 /nfs/dbraw/zinc/20/50/38/204205038.db2.gz LKFSLSMWDUXODO-MRXNPFEDSA-N 0 0 392.484 3.582 3 0 GHAFRN c1ccc2c(c1)CCN(c1nc3ccccc3c3nc(-c4cccnc4)nn31)C2 ZINC000006805419 204209672 /nfs/dbraw/zinc/20/96/72/204209672.db2.gz LYFUUFAASFUNLT-UHFFFAOYSA-N 0 0 378.439 3.902 1 0 GHAFRN CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1cccs1 ZINC000007007325 204230306 /nfs/dbraw/zinc/23/03/06/204230306.db2.gz CALAQNOVKMNMLR-MRXNPFEDSA-N 0 0 378.519 3.843 1 0 GHAFRN CCOC(=O)[C@@]1(CC)Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC ZINC000013813491 204514819 /nfs/dbraw/zinc/51/48/19/204514819.db2.gz AIJVBJZCRHFOKD-QHCPKHFHSA-N 0 0 396.439 3.774 3 0 GHAFRN CC(=O)NC1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381476 205015319 /nfs/dbraw/zinc/01/53/19/205015319.db2.gz OQEPVZDAAXJKDH-UHFFFAOYSA-N 0 0 380.311 3.678 1 0 GHAFRN Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)s2)nn1-c1ccccc1 ZINC000038244851 205036543 /nfs/dbraw/zinc/03/65/43/205036543.db2.gz FVGCUXYGRZXCNX-UHFFFAOYSA-N 0 0 379.420 3.942 1 0 GHAFRN COc1cc2c(cc1O)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 ZINC000038623893 205036700 /nfs/dbraw/zinc/03/67/00/205036700.db2.gz YVWFJBPHYMDAEF-MOPGFXCFSA-N 0 0 380.396 3.705 1 0 GHAFRN COC[C@H](C1CC1)n1nc(C)nc(Nc2c(Cl)cc(OC)cc2Cl)c1=O ZINC000049034621 205124693 /nfs/dbraw/zinc/12/46/93/205124693.db2.gz WCBRMLZBDAHZFP-CQSZACIVSA-N 0 0 399.278 3.603 1 0 GHAFRN O=C(NC[C@@]1(O)CCCC(F)(F)C1)c1cc(-c2ncc(F)cn2)ccc1Cl ZINC000049784306 205130242 /nfs/dbraw/zinc/13/02/42/205130242.db2.gz ZNZFAEUFDSBTTN-QGZVFWFLSA-N 0 0 399.800 3.606 1 0 GHAFRN Cn1cc(-c2cc(-c3ccccc3OC(F)(F)F)ccc2F)nc1C(N)=O ZINC000058583504 205177335 /nfs/dbraw/zinc/17/73/35/205177335.db2.gz JRZXABMIIUEXKF-UHFFFAOYSA-N 0 0 379.313 3.891 1 0 GHAFRN C[C@]1(C(=O)N2Cc3ccccc3C2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061902924 205183583 /nfs/dbraw/zinc/18/35/83/205183583.db2.gz WTZQHKISXNLYSC-JOCHJYFZSA-N 0 0 394.902 3.905 3 0 GHAFRN CC(C)CNC(=O)[C@]1(C)CCCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000061926490 205184002 /nfs/dbraw/zinc/18/40/02/205184002.db2.gz YOKXZVBNPGJAPD-FQEVSTJZSA-N 0 0 380.916 3.651 3 0 GHAFRN COc1ccc(NC(=O)[C@@H]2Cc3c(nccc3-c3cccc(C(C)=O)c3)O2)cc1 ZINC000061906710 205184183 /nfs/dbraw/zinc/18/41/83/205184183.db2.gz FHMRXPQYLYTMSL-NRFANRHFSA-N 0 0 388.423 3.902 3 0 GHAFRN COc1ccc([C@@H]2c3ccc4cccnc4c3O[C@H]3NC(=S)N=C(N)[C@@H]32)cc1 ZINC000064436909 205188592 /nfs/dbraw/zinc/18/85/92/205188592.db2.gz LZQNFYIYZIDOBD-GQIGUUNPSA-N 0 0 390.468 3.576 1 0 GHAFRN CN1OC[C@@H]2CN(C(=O)C(C)(C)C)[C@H](c3cccc(Br)c3)C[C@@H]21 ZINC000061943075 205184901 /nfs/dbraw/zinc/18/49/01/205184901.db2.gz ARQAPEBDXAFCDN-BPUTZDHNSA-N 0 0 381.314 3.630 3 0 GHAFRN O=C1N[C@@](c2ccc(Cl)cc2)(C2CC2)C(=O)N1CN1CCc2ccccc2C1 ZINC000072125962 205306312 /nfs/dbraw/zinc/30/63/12/205306312.db2.gz GGMDYTQUPZSKPZ-JOCHJYFZSA-N 0 0 395.890 3.513 1 0 GHAFRN CCS(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CCOC(F)(F)F ZINC000072141179 205308195 /nfs/dbraw/zinc/30/81/95/205308195.db2.gz VCHRFDMGRWTDAX-UHFFFAOYSA-N 0 0 378.416 3.664 1 0 GHAFRN CCOc1cc(Cl)ccc1-c1onc(C(=O)NC2CCC(O)CC2)c1C ZINC000072178204 205318143 /nfs/dbraw/zinc/31/81/43/205318143.db2.gz RCFXUCXXSRDAOX-UHFFFAOYSA-N 0 0 378.856 3.735 1 0 GHAFRN CCCCCc1cc(O)cc(OCCCCCCCC(=O)OC(CO)CO)c1 ZINC000073170229 205355630 /nfs/dbraw/zinc/35/56/30/205355630.db2.gz NFGYARFBOHIJLZ-UHFFFAOYSA-N 0 0 396.524 3.741 1 0 GHAFRN Cc1ccc(S(=O)(=O)N[C@@H](/C(=C/c2ccoc2)[N+](=O)[O-])c2ccco2)cc1 ZINC000084669543 205397950 /nfs/dbraw/zinc/39/79/50/205397950.db2.gz JBNNFVNARIQZOE-QMJOVRGKSA-N 0 0 388.401 3.518 1 0 GHAFRN CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(Br)cc21 ZINC000096273877 205554487 /nfs/dbraw/zinc/55/44/87/205554487.db2.gz BYOFLXXGWGAIIA-UHFFFAOYSA-N 0 0 387.233 3.972 1 0 GHAFRN COCCN(CCOC)c1ncnc(Nc2c(C)cc(C)cc2C)c1SC ZINC000169310332 205825972 /nfs/dbraw/zinc/82/59/72/205825972.db2.gz ZXQXIDXXLNUYMI-UHFFFAOYSA-N 0 0 390.553 3.967 1 0 GHAFRN COC(=O)[C@@]1(C)C[C@@H](c2coc3ccc(F)cc3c2=O)N(c2ccccc2)O1 ZINC000169327145 205828066 /nfs/dbraw/zinc/82/80/66/205828066.db2.gz NTCZQLYIIOYTRD-LAUBAEHRSA-N 0 0 383.375 3.747 1 0 GHAFRN COC(=O)[C@@]1(C)C[C@@H](c2coc3ccc(C)cc3c2=O)N(c2ccccc2)O1 ZINC000169327151 205828692 /nfs/dbraw/zinc/82/86/92/205828692.db2.gz KDBHYJALFUBVHQ-PGRDOPGGSA-N 0 0 379.412 3.916 1 0 GHAFRN O=C1CN2CCCC[C@@H]2C(=O)N1c1cc(OC2CCCC2)c(Cl)cc1F ZINC000103293976 136191195 /nfs/dbraw/zinc/19/11/95/136191195.db2.gz URVYXOGAABCSIW-OAHLLOKOSA-N 0 0 380.847 3.528 1 0 GHAFRN COc1ccc(CC(=O)Nc2ccsc2-c2n[nH]c(C(F)(F)F)n2)cc1 ZINC000064560815 222074103 /nfs/dbraw/zinc/07/41/03/222074103.db2.gz WKKHWEMTBODBGE-UHFFFAOYSA-N 0 0 382.367 3.742 1 0 GHAFRN O=C(Nc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c(Cl)c1)c1ccccn1 ZINC000066147814 222139392 /nfs/dbraw/zinc/13/93/92/222139392.db2.gz XFWVQXSUWBUOEQ-OKILXGFUSA-N 0 0 383.835 3.667 1 0 GHAFRN CCn1cc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 ZINC000103242939 536011524 /nfs/dbraw/zinc/01/15/24/536011524.db2.gz ZWXIGUDEOUIULA-UHFFFAOYSA-N 0 0 392.482 3.531 1 0 GHAFRN CCC(C)(C)C(=O)C(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)OCCCCc1ccccc1 ZINC000013554290 581097855 /nfs/dbraw/zinc/09/78/55/581097855.db2.gz FPVPWXNISWCTPJ-XUVXKRRUSA-N 0 0 399.531 3.937 1 0 GHAFRN C[C@H]1OC(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)C(=O)[C@]3(CC(=O)C[C@@H]12)O[C@H]4c1ccoc1 ZINC000095486231 291133734 /nfs/dbraw/zinc/13/37/34/291133734.db2.gz GULYLPUITRFGNB-JYIINAKSSA-N 0 0 398.455 3.562 1 0 biogenic,in-vitro GHAFRN O=c1c(O)c(-c2ccc(O)cc2)oc2cc([O-])cc(OCCC3(O)CCCC3)c12 ZINC000085569502 291134643 /nfs/dbraw/zinc/13/46/43/291134643.db2.gz WAKPNAAVRSQKFR-UHFFFAOYSA-N 0 0 398.411 3.651 1 0 biogenic,in-vitro GHAFRN COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccs3)c2n1 ZINC000004238917 204034200 /nfs/dbraw/zinc/03/42/00/204034200.db2.gz IRCQMOMUBVKPBM-UHFFFAOYSA-N 0 0 384.848 3.625 1 0 GHAFRN Fc1ccc(Cc2nnc3ncc(-c4ccc(Br)cc4)nn23)cc1 ZINC000006745210 204198890 /nfs/dbraw/zinc/19/88/90/204198890.db2.gz XQECKOJJXSYKLH-UHFFFAOYSA-N 0 0 384.212 3.679 1 0 GHAFRN Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000012050018 204368931 /nfs/dbraw/zinc/36/89/31/204368931.db2.gz WEZRHPWWPXDLTL-SFHVURJKSA-N 0 0 377.492 3.711 3 0 GHAFRN O=C1NCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 ZINC000013579984 204495947 /nfs/dbraw/zinc/49/59/47/204495947.db2.gz CDAQAGCGPAHBGR-AWEZNQCLSA-N 0 0 377.213 3.506 1 0 GHAFRN O=C(c1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 ZINC000013735025 204510726 /nfs/dbraw/zinc/51/07/26/204510726.db2.gz WMBPDZBHEAETLZ-UHFFFAOYSA-N 0 0 383.411 3.960 1 0 investigational GHAFRN CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4ccc(F)cc4)cnn32)c1 ZINC000029124529 204886289 /nfs/dbraw/zinc/88/62/89/204886289.db2.gz JVKNENSSPSXREL-UHFFFAOYSA-N 0 0 388.402 3.749 1 0 GHAFRN Brc1ccc([C@H](c2cn(-c3ccccc3)nn2)n2ccnc2)cc1 ZINC000040395531 205064634 /nfs/dbraw/zinc/06/46/34/205064634.db2.gz ZYFZNPJNFMILAX-GOSISDBHSA-N 0 0 380.249 3.864 1 0 GHAFRN CCOC(=O)C[C@@H]1c2cccc(-c3ccccc3)c2OC(N)=C1C(=O)OCC ZINC000043068830 205081207 /nfs/dbraw/zinc/08/12/07/205081207.db2.gz UOJWLTNHLWEVOZ-QGZVFWFLSA-N 0 0 381.428 3.516 1 0 GHAFRN CCOC(=O)CCCN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1=O ZINC000045167635 205092685 /nfs/dbraw/zinc/09/26/85/205092685.db2.gz AJRHKWRPBKBSJY-UHFFFAOYSA-N 0 0 384.863 3.867 1 0 GHAFRN COc1cccc(F)c1[C@@H]1SCC(=O)N1c1cc(Br)ccn1 ZINC000040845242 205073232 /nfs/dbraw/zinc/07/32/32/205073232.db2.gz UUMIIYJWUMMXMV-HNNXBMFYSA-N 0 0 383.242 3.770 1 0 GHAFRN CCC[C@@H]1C[C@@H](OC(C)C)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] ZINC000040900522 205074326 /nfs/dbraw/zinc/07/43/26/205074326.db2.gz QCYKLRCWEBCLRR-NVXWUHKLSA-N 0 0 394.903 3.870 1 0 GHAFRN COc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(N)=O)sc3n2)c(OC)c1 ZINC000049067761 205125627 /nfs/dbraw/zinc/12/56/27/205125627.db2.gz LDJFUOXYSMNRKA-UHFFFAOYSA-N 0 0 395.440 3.922 1 0 GHAFRN Cc1nc2cc(Nc3ccccc3N)ccc2n1S(=O)(=O)c1ccccc1 ZINC000049803542 205130194 /nfs/dbraw/zinc/13/01/94/205130194.db2.gz GGVBVTHYMIXGEF-UHFFFAOYSA-N 0 0 378.457 3.908 1 0 GHAFRN COc1ccnc2c1nc(C1CCC1)n2Cc1cc(=O)[nH]c2c(F)c(F)ccc12 ZINC000059097371 205178640 /nfs/dbraw/zinc/17/86/40/205178640.db2.gz OBPMKZUKZANIQJ-UHFFFAOYSA-N 0 0 396.397 3.875 1 0 GHAFRN Cc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000061704703 205182230 /nfs/dbraw/zinc/18/22/30/205182230.db2.gz MBSCPVGGCCNQCY-JOCHJYFZSA-N 0 0 391.496 3.998 3 0 GHAFRN Cc1cnc(CNc2nc3cc(-c4ccccc4C)sc3c(=O)n2C)cn1 ZINC000061903167 205182736 /nfs/dbraw/zinc/18/27/36/205182736.db2.gz XQNJKEWQOAAATG-UHFFFAOYSA-N 0 0 377.473 3.681 3 0 GHAFRN C[C@]1(C(=O)Nc2cccc3cccnc32)CCN1Cc1cccc2c1OCO2 ZINC000061906823 205184194 /nfs/dbraw/zinc/18/41/94/205184194.db2.gz JLQKFMPLPQIRRV-JOCHJYFZSA-N 0 0 375.428 3.567 3 0 GHAFRN CCCCCC(=O)N1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 ZINC000061923914 205184568 /nfs/dbraw/zinc/18/45/68/205184568.db2.gz WMWAUVFKNWLWAX-HKBOAZHASA-N 0 0 382.508 3.611 3 0 GHAFRN C[C@@]1(C(=O)Nc2cccc3cccnc32)CCN1Cc1cccc2c1OCO2 ZINC000061906824 205184762 /nfs/dbraw/zinc/18/47/62/205184762.db2.gz JLQKFMPLPQIRRV-QFIPXVFZSA-N 0 0 375.428 3.567 3 0 GHAFRN COc1cc(Cn2c3ccc(NC(=O)CC(C)(C)C)cc3c(=O)n2C)ccc1F ZINC000061907077 205184806 /nfs/dbraw/zinc/18/48/06/205184806.db2.gz VIZWJCIWSFJUFR-UHFFFAOYSA-N 0 0 399.466 3.911 3 0 GHAFRN Nc1ncnc2c1C(=O)N(c1ccc(-c3ccccc3Cl)c(F)c1)CCO2 ZINC000072317389 205324847 /nfs/dbraw/zinc/32/48/47/205324847.db2.gz SSEQYIIHLZEZSG-UHFFFAOYSA-N 0 0 384.798 3.558 1 0 GHAFRN CCOC(=O)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072184404 205317640 /nfs/dbraw/zinc/31/76/40/205317640.db2.gz JWZYHPVOOKELNC-SFHVURJKSA-N 0 0 377.847 3.738 1 0 GHAFRN O=c1[nH][nH]c(=O)c2cc(Nc3cccc(O)c3)c(Nc3cccc(O)c3)cc12 ZINC000073169910 205354921 /nfs/dbraw/zinc/35/49/21/205354921.db2.gz YMDDDFHRBBCGOK-UHFFFAOYSA-N 0 0 376.372 3.527 1 0 GHAFRN CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2cccc3ccccc32)C1 ZINC000084710054 205398375 /nfs/dbraw/zinc/39/83/75/205398375.db2.gz YOFIRKQBIPYQJW-UHFFFAOYSA-N 0 0 378.472 3.926 1 0 GHAFRN COc1cc(C)cc(OC)c1O[C@@H](C)[C@@H](O)c1ccc2c(c1)OC(F)(F)O2 ZINC000084739090 205398751 /nfs/dbraw/zinc/39/87/51/205398751.db2.gz KTPKDWNUOKRORI-APPDUMDISA-N 0 0 382.359 3.835 1 0 GHAFRN CCN1C(=O)C(C)(C)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl ZINC000095566069 205499671 /nfs/dbraw/zinc/49/96/71/205499671.db2.gz UMAJMKSSKVAUMP-LBPRGKRZSA-N 0 0 376.806 3.622 1 0 GHAFRN CN(C(=O)Cn1c2cc(-c3ccccc3)cc3c2n(c1=O)CCO3)c1ccccc1 ZINC000095588576 205501671 /nfs/dbraw/zinc/50/16/71/205501671.db2.gz YZFJRBHEOHTQIJ-UHFFFAOYSA-N 0 0 399.450 3.525 1 0 GHAFRN O=C1N(Cc2ccc(-c3cn[nH]c3)cc2F)c2ccccc2[C@@]1(O)C(F)(F)F ZINC000095596510 205503501 /nfs/dbraw/zinc/50/35/01/205503501.db2.gz KLMSDQWLMLNUCO-SFHVURJKSA-N 0 0 391.324 3.513 1 0 GHAFRN COc1cc2nc(COc3ccc(Cl)cc3Cl)n(C)c(=O)c2cc1OC ZINC000103199002 205643254 /nfs/dbraw/zinc/64/32/54/205643254.db2.gz SCLKLMDEDDLOPR-UHFFFAOYSA-N 0 0 395.242 3.837 1 0 GHAFRN COc1cccc([C@]2(O)C(OC)=C[C@H]3C(=O)[C@@H]2[C@@H]2c4ccccc4C[C@@]32C)c1 ZINC000169334225 205827364 /nfs/dbraw/zinc/82/73/64/205827364.db2.gz YXHJCKFOMVXQFS-CPAPFFTJSA-N 0 0 376.452 3.588 1 0 GHAFRN CC(C)CCN1c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C(=N)[C@@H]1C ZINC000095567373 136182048 /nfs/dbraw/zinc/18/20/48/136182048.db2.gz YIJVPONGUZTUBW-NSHDSACASA-N 0 0 390.438 3.872 1 0 GHAFRN Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(-n3cncn3)ccc12 ZINC000005891746 581094102 /nfs/dbraw/zinc/09/41/02/581094102.db2.gz QMYIPNLWNUVDLW-UHFFFAOYSA-N 0 0 388.475 3.994 1 0 GHAFRN CCOc1ccc(Cl)c([C@H]2C[C@H]2NC(=O)Nc2cc(Cl)cnn2)c1F ZINC000027417036 581095826 /nfs/dbraw/zinc/09/58/26/581095826.db2.gz UKROUTQOUAGVLP-GXSJLCMTSA-N 0 0 385.226 3.999 1 0 GHAFRN CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1 ZINC000003931469 581097985 /nfs/dbraw/zinc/09/79/85/581097985.db2.gz YXFJYBXYSAFKHN-KRWDZBQOSA-N 0 0 375.534 3.875 1 0 GHAFRN CCC(C)(C)C(=O)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OCCCCc1ccccc1 ZINC000013554289 581098040 /nfs/dbraw/zinc/09/80/40/581098040.db2.gz FPVPWXNISWCTPJ-ZCNNSNEGSA-N 0 0 399.531 3.937 1 0 GHAFRN Cc1cc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)ccc1NC(=O)c1cccs1 ZINC000001140393 203888498 /nfs/dbraw/zinc/88/84/98/203888498.db2.gz CNQOXUFZGNKQCS-VUWOVVPOSA-N 0 0 378.453 3.620 1 0 GHAFRN COc1ccc(-c2nc(C)sc2-c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000003814567 204019908 /nfs/dbraw/zinc/01/99/08/204019908.db2.gz QUIKTBHWZAAFQH-UHFFFAOYSA-N 0 0 378.450 3.581 1 0 GHAFRN CC(C)Oc1ccc(-c2nc(-c3ccc(C[NH+]4CC(C(=O)[O-])C4)cc3)no2)cc1 ZINC000003819498 204020111 /nfs/dbraw/zinc/02/01/11/204020111.db2.gz GTZFBQFSZBMRCX-UHFFFAOYSA-N 0 0 393.443 3.707 1 0 GHAFRN Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)c2)c1 ZINC000005127213 204114489 /nfs/dbraw/zinc/11/44/89/204114489.db2.gz BXOPICYHPPSHOH-LPTDTENNSA-N 0 0 386.451 3.867 1 0 GHAFRN C[C@H]1[C@H](NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)CCC[C@@H]1C ZINC000004979832 204099882 /nfs/dbraw/zinc/09/98/82/204099882.db2.gz GGXAALFNHOXMQN-ZMSDIMECSA-N 0 0 398.459 3.630 1 0 GHAFRN CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 ZINC000005714595 204149232 /nfs/dbraw/zinc/14/92/32/204149232.db2.gz YBQSJYTUHRZVPN-IMFGXOCKSA-N 0 0 385.504 3.739 1 0 GHAFRN CC1CCN(C(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)CC1 ZINC000006902106 204222628 /nfs/dbraw/zinc/22/26/28/204222628.db2.gz HJJQNNRCZSJDDC-UHFFFAOYSA-N 0 0 379.460 3.759 1 0 GHAFRN COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(I)cc1)S2 ZINC000028644452 204878331 /nfs/dbraw/zinc/87/83/31/204878331.db2.gz RKHTXUDMJQPFNA-MQYQWHSLSA-N 0 0 388.270 3.832 1 0 GHAFRN CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)[C@H](CF)c1ccc(F)cc1Cl ZINC000040393292 205062979 /nfs/dbraw/zinc/06/29/79/205062979.db2.gz RIXSUKZAANUDAM-JKSUJKDBSA-N 0 0 392.851 3.947 1 0 GHAFRN O=C1OCC2=C1[C@H](c1cccc(Br)c1)c1cc3c(cc1O2)OCO3 ZINC000040404758 205063894 /nfs/dbraw/zinc/06/38/94/205063894.db2.gz MWLUACUBSBTHGC-MRXNPFEDSA-N 0 0 387.185 3.513 1 0 GHAFRN CN1c2ccc(Cl)cc2C(=O)N[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000040565294 205067135 /nfs/dbraw/zinc/06/71/35/205067135.db2.gz YUVLXCLLHSPLGM-LJQANCHMSA-N 0 0 391.858 3.720 1 0 GHAFRN O=C(Nc1cccc(F)c1F)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000043072510 205081279 /nfs/dbraw/zinc/08/12/79/205081279.db2.gz MQRGUUPXIZPPGZ-WVMBZCLNSA-N 0 0 394.377 3.529 1 0 GHAFRN Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc3nonc3c2)c1 ZINC000045253385 205094113 /nfs/dbraw/zinc/09/41/13/205094113.db2.gz FFHFPHOSEKNZLN-GOSISDBHSA-N 0 0 387.443 3.833 1 0 GHAFRN COc1ccc([C@@H]2CC(Nc3nc4ccccc4s3)=NN2C(C)=O)cc1O ZINC000045256995 205094965 /nfs/dbraw/zinc/09/49/65/205094965.db2.gz CUMPAINCDZCEKD-AWEZNQCLSA-N 0 0 382.445 3.729 1 0 GHAFRN COc1ccc2[nH]c(CN3c4ccccc4C[C@H]3C)c(CCNC(C)=O)c2c1 ZINC000040847035 205072681 /nfs/dbraw/zinc/07/26/81/205072681.db2.gz NKXGGEZXAZMHFM-OAHLLOKOSA-N 0 0 377.488 3.806 1 0 GHAFRN COc1ccc(N(C(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c(OC)c1 ZINC000040897837 205073859 /nfs/dbraw/zinc/07/38/59/205073859.db2.gz QWXDWEPEAHOPQE-INIZCTEOSA-N 0 0 396.487 3.798 1 0 GHAFRN O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1c[nH]cn1 ZINC000040943506 205076057 /nfs/dbraw/zinc/07/60/57/205076057.db2.gz QQGQNKCSSVKEBM-UHFFFAOYSA-N 0 0 389.259 3.885 1 0 GHAFRN Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1ccc(CNN3CCCCCC3)cc1-2 ZINC000049109811 205125221 /nfs/dbraw/zinc/12/52/21/205125221.db2.gz ICFKXDAXQGMZLR-UHFFFAOYSA-N 0 0 399.498 3.818 1 0 GHAFRN CSc1ncc2c(n1)C[C@H]1CCC[C@@H]2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000049073167 205126071 /nfs/dbraw/zinc/12/60/71/205126071.db2.gz NLCZFYAYHIEFIM-WBMJQRKESA-N 0 0 395.937 3.693 1 0 GHAFRN CCN1CCN(C(=O)c2cn3c4c2cccc4OC[C@H]3C2CCCCC2)CC1 ZINC000058506834 205175985 /nfs/dbraw/zinc/17/59/85/205175985.db2.gz XBCRAXXZICHFOK-FQEVSTJZSA-N 0 0 381.520 3.933 1 0 GHAFRN CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1cccc(OC(F)(F)F)c1 ZINC000061902557 205183216 /nfs/dbraw/zinc/18/32/16/205183216.db2.gz AWBKZPDGBCJMAH-SFHVURJKSA-N 0 0 386.414 3.886 3 0 GHAFRN CCCNC(=O)[C@@]1(C)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000061902721 205183605 /nfs/dbraw/zinc/18/36/05/205183605.db2.gz CMTXFGXJULQAKX-FQEVSTJZSA-N 0 0 376.928 3.917 3 0 GHAFRN CC(C)(C)c1cc(NC(=O)[C@]2(C)CCN2C(=O)C2(c3ccccc3)CC2)no1 ZINC000061926867 205184450 /nfs/dbraw/zinc/18/44/50/205184450.db2.gz RFAGQYZJZQMZDD-NRFANRHFSA-N 0 0 381.476 3.633 3 0 GHAFRN CCOC(=O)C1=C(N)Oc2cc(N(CC)CC)ccc2[C@@H]1c1ccc(F)cc1 ZINC000066066492 205239646 /nfs/dbraw/zinc/23/96/46/205239646.db2.gz OWEJQFQBZOHZNA-IBGZPJMESA-N 0 0 384.451 3.930 1 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(CC)cc1 ZINC000072124413 205306867 /nfs/dbraw/zinc/30/68/67/205306867.db2.gz KBPUSHOEZBMURE-OAQYLSRUSA-N 0 0 399.512 3.793 3 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000072141773 205308579 /nfs/dbraw/zinc/30/85/79/205308579.db2.gz VJWHHZDHEORPAD-GOSISDBHSA-N 0 0 391.876 3.575 3 0 GHAFRN CN(C)C(=O)c1c(C(=O)NC2CCCC2)noc1-c1ccc(C(F)(F)F)cc1 ZINC000072177984 205317376 /nfs/dbraw/zinc/31/73/76/205317376.db2.gz IUPRSOJPMPSLMR-UHFFFAOYSA-N 0 0 395.381 3.735 1 0 GHAFRN CC1(C)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C[C@@H]1O ZINC000072175103 205317537 /nfs/dbraw/zinc/31/75/37/205317537.db2.gz CMEPYQARTSTIIY-INIZCTEOSA-N 0 0 377.234 3.743 1 0 GHAFRN CCn1ccc2c(Cc3nnc4ccc(-c5cccc(F)c5)nn43)cccc2c1=O ZINC000073196884 205356050 /nfs/dbraw/zinc/35/60/50/205356050.db2.gz LCJUQZBWHYTVRI-UHFFFAOYSA-N 0 0 399.429 3.856 1 0 GHAFRN CCOC(=O)c1cnn2c1N(C(=O)Nc1ccccc1F)[C@@H](c1ccccc1)C2 ZINC000073198826 205356369 /nfs/dbraw/zinc/35/63/69/205356369.db2.gz AYIMCGOMYCBGKN-GOSISDBHSA-N 0 0 394.406 3.992 1 0 GHAFRN CN1C(=N)N[C@](c2nccs2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O ZINC000084601996 205395263 /nfs/dbraw/zinc/39/52/63/205395263.db2.gz FGZNPKRHPSRWAL-IBGZPJMESA-N 0 0 382.876 3.703 1 0 GHAFRN CN1C(=N)N[C@](c2cccnc2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O ZINC000084605144 205396153 /nfs/dbraw/zinc/39/61/53/205396153.db2.gz PNFYDRRJPSSMRN-NRFANRHFSA-N 0 0 376.847 3.642 1 0 GHAFRN COc1ccc(-c2cccc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000096930130 205578841 /nfs/dbraw/zinc/57/88/41/205578841.db2.gz KCUJCOSOQARTCG-UHFFFAOYSA-N 0 0 381.428 3.847 1 0 GHAFRN C/C1=C\[C@@H]2OC(=O)[C@@H](C[NH+](C)C)[C@@H]2CC[C@H](C)/C=C\C/C(C(=O)[O-])=C\CC1 ZINC000169304743 205826655 /nfs/dbraw/zinc/82/66/55/205826655.db2.gz WLFVSQNOWMRTMD-KBBHFMTKSA-N 0 0 375.509 3.820 1 0 GHAFRN COc1ccnc(NC(=S)N2CCN(c3cccc(Cl)c3Cl)CC2)c1 ZINC000095569470 136182162 /nfs/dbraw/zinc/18/21/62/136182162.db2.gz LYYILEFQQDIKPP-UHFFFAOYSA-N 0 0 397.331 3.916 1 0 GHAFRN O=C1CSc2ccc(CO)nc2N1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000169348918 136197304 /nfs/dbraw/zinc/19/73/04/136197304.db2.gz PCDAJNVDWSQAJI-UHFFFAOYSA-N 0 0 388.798 3.885 1 0 GHAFRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)OC2C3CC4CC(C3)CC2C4)C1 ZINC000064527865 222072824 /nfs/dbraw/zinc/07/28/24/222072824.db2.gz LDWNGJZCOABBTF-SVXFNXITSA-N 0 0 378.513 3.889 1 0 GHAFRN C[C@@](O)(c1ccc(S(=O)(=O)c2ccc(N)cc2Cl)cc1)C(F)(F)F ZINC000064573719 222075515 /nfs/dbraw/zinc/07/55/15/222075515.db2.gz OJWIROYHNKUKES-CQSZACIVSA-N 0 0 379.787 3.525 1 0 GHAFRN COC(=O)c1ccc(CN2c3ccccc3[C@]3(OCCC=C[C@@H]3C)C2=O)cc1 ZINC000066166039 222139292 /nfs/dbraw/zinc/13/92/92/222139292.db2.gz UTZIKVBMSWNQPY-HJPURHCSSA-N 0 0 377.440 3.828 1 0 GHAFRN CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)OCCCc1ccccc1 ZINC000027303273 581097869 /nfs/dbraw/zinc/09/78/69/581097869.db2.gz IQEOVMKUVVEMRJ-QYZOEREBSA-N 0 0 385.504 3.547 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2nc(NC3CCCC3)cc(C(F)(F)F)n2)cc1 ZINC000029131964 581099691 /nfs/dbraw/zinc/09/96/91/581099691.db2.gz GXHXLOMQBVIGJW-UHFFFAOYSA-N 0 0 385.411 3.920 1 0 GHAFRN O=C(NC[C@H]1CCCO1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000003587941 204014598 /nfs/dbraw/zinc/01/45/98/204014598.db2.gz VPDJTDXPRKPDTR-SKCQWOFPSA-N 0 0 398.459 3.820 3 0 GHAFRN CNC(=O)Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl ZINC000003834000 204019928 /nfs/dbraw/zinc/01/99/28/204019928.db2.gz XLXYTDQVAZQQMX-UHFFFAOYSA-N 0 0 398.294 3.877 1 0 GHAFRN CCNC(=O)Nc1nc2c(cc(-c3cccnc3)cc2-c2ncccc2F)[nH]1 ZINC000003821134 204020105 /nfs/dbraw/zinc/02/01/05/204020105.db2.gz ASLMIDYEWPPSGH-UHFFFAOYSA-N 0 0 376.395 3.967 1 0 GHAFRN O=C(Nc1ccccc1)N1CC[C@]2(C1)CCCN(C(=O)c1cccc(F)c1)C2 ZINC000004238169 204034308 /nfs/dbraw/zinc/03/43/08/204034308.db2.gz TXOMYECBQIHRPJ-JOCHJYFZSA-N 0 0 381.451 3.986 1 0 GHAFRN Cc1ccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c3ccccc3)s2)cc1 ZINC000004491392 204046574 /nfs/dbraw/zinc/04/65/74/204046574.db2.gz UPOJREPCRCPRAE-NRMKIYEFSA-N 0 0 392.484 3.670 1 0 GHAFRN COc1ccc(CCNC(=O)c2cc3sc(Cl)cc3n2C)cc1OC ZINC000005036533 204105475 /nfs/dbraw/zinc/10/54/75/204105475.db2.gz SICOCZQUIBMLRR-UHFFFAOYSA-N 0 0 378.881 3.883 3 0 GHAFRN C/C1=C/CC/C(C(=O)[O-])=C/CC/C(C)=C\[C@@H]2OC(=O)[C@@H](C[NH+](C)C)[C@@H]2CC1 ZINC000005831576 204152476 /nfs/dbraw/zinc/15/24/76/204152476.db2.gz HRPBIJBOFQXOTL-JJXLTYSDSA-N 0 0 375.509 3.964 1 0 GHAFRN COc1cccc(OC[C@H](O)CNC(=O)c2oc3c(ccc(C)c3C)c2C)c1 ZINC000012507334 204415962 /nfs/dbraw/zinc/41/59/62/204415962.db2.gz IONMVFMJDIABHT-MRXNPFEDSA-N 0 0 383.444 3.536 3 0 GHAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 ZINC000013601700 204496473 /nfs/dbraw/zinc/49/64/73/204496473.db2.gz PQCDUNADCLPZMS-QFIPXVFZSA-N 0 0 394.434 3.714 1 0 GHAFRN COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccccc3S2(=O)=O)cc1 ZINC000013739871 204510256 /nfs/dbraw/zinc/51/02/56/204510256.db2.gz VGORENDTZFGJPA-UHFFFAOYSA-N 0 0 395.436 3.662 1 0 GHAFRN Cc1c(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2cccc3c2n1CCC3 ZINC000013740408 204510875 /nfs/dbraw/zinc/51/08/75/204510875.db2.gz OSCVDYIAMVGKNT-UHFFFAOYSA-N 0 0 391.490 3.926 1 0 GHAFRN CC(C)n1cnc2c1nc(I)nc2Nc1ccccc1 ZINC000013834611 204516543 /nfs/dbraw/zinc/51/65/43/204516543.db2.gz MVAHRZYCSXXJMD-UHFFFAOYSA-N 0 0 379.205 3.755 1 0 GHAFRN COc1ccc([C@@H](Cc2scnc2C(=O)Nc2nccs2)OC)cc1 ZINC000028462194 204873859 /nfs/dbraw/zinc/87/38/59/204873859.db2.gz GJLAORCBTDMCLD-CYBMUJFWSA-N 0 0 375.475 3.791 1 0 GHAFRN CC(C)[C@@H]1Nc2c3c(c[nH]c3cc3c2C(C)(C)CCC3(C)C)C[C@@H](CO)NC1=O ZINC000027524293 204856532 /nfs/dbraw/zinc/85/65/32/204856532.db2.gz HHLKZSJXDAZIGG-YWZLYKJASA-N 0 0 397.563 3.987 1 0 GHAFRN COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(C)c(F)c3)n2C)cc1 ZINC000029125304 204885660 /nfs/dbraw/zinc/88/56/60/204885660.db2.gz DWPCVRRJVVYGAQ-ATJXCDBQSA-N 0 0 385.464 3.956 1 0 GHAFRN O=c1[nH]c2ccc(Cl)cc2n1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000043072121 205082536 /nfs/dbraw/zinc/08/25/36/205082536.db2.gz RDDOUZYTYQTOLV-UHFFFAOYSA-N 0 0 377.636 3.527 1 0 GHAFRN CCC[C@H]1C[C@@H](OC(C)C)N2CCN(Cc3ccc(Cl)nc3)C2=C1[N+](=O)[O-] ZINC000040900525 205073987 /nfs/dbraw/zinc/07/39/87/205073987.db2.gz QCYKLRCWEBCLRR-DOTOQJQBSA-N 0 0 394.903 3.870 1 0 GHAFRN CCOc1ccc(Nc2nc(C)nn([C@@H](CC)C3CC3)c2=O)c(C(F)(F)F)n1 ZINC000049036742 205125464 /nfs/dbraw/zinc/12/54/64/205125464.db2.gz DPUYEVBDLMNOER-ZDUSSCGKSA-N 0 0 397.401 3.864 1 0 GHAFRN CCOC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(O)c2)N1C(=O)CC ZINC000049808149 205129692 /nfs/dbraw/zinc/12/96/92/205129692.db2.gz DWLDIEDANWVQTK-KNQAVFIVSA-N 0 0 392.455 3.689 1 0 GHAFRN CC(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1 ZINC000049066952 205126134 /nfs/dbraw/zinc/12/61/34/205126134.db2.gz DFWNNELCVCRXRQ-UHFFFAOYSA-N 0 0 381.867 3.913 1 0 GHAFRN C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1Cc1ccccc1OC(F)F ZINC000061902326 205183106 /nfs/dbraw/zinc/18/31/06/205183106.db2.gz LRLPWAXBYXSDOH-FQEVSTJZSA-N 0 0 390.386 3.620 3 0 GHAFRN COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2C(=O)C(C)(C)c2ccccc2)c1 ZINC000061896563 205183501 /nfs/dbraw/zinc/18/35/01/205183501.db2.gz BKNCYCYMYNZFQV-QHCPKHFHSA-N 0 0 396.487 3.611 3 0 GHAFRN Cc1cccnc1C1=NO[C@H](Cc2ccccc2)C(=O)N1Cc1ccccc1F ZINC000061908245 205184047 /nfs/dbraw/zinc/18/40/47/205184047.db2.gz IRSQIDNQGDUTAQ-HXUWFJFHSA-N 0 0 389.430 3.861 3 0 GHAFRN CC(=O)N[C@H]1CCC[C@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1 ZINC000063539707 205185644 /nfs/dbraw/zinc/18/56/44/205185644.db2.gz SKKRZILJUKYLJS-STQMWFEESA-N 0 0 384.871 3.533 1 0 GHAFRN COc1ccc(OC)c(-c2cccc3c(N)c(C(=O)NC4(C)CCC4)nnc32)c1 ZINC000071294257 205280975 /nfs/dbraw/zinc/28/09/75/205280975.db2.gz JUELOSCDPSWDKO-UHFFFAOYSA-N 0 0 392.459 3.569 1 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@@H]1c1cccc(C)c1 ZINC000072137865 205308811 /nfs/dbraw/zinc/30/88/11/205308811.db2.gz DFERXXFGEAOOKU-HXUWFJFHSA-N 0 0 385.485 3.539 3 0 GHAFRN CCOC(=O)C1=C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000072136794 205309311 /nfs/dbraw/zinc/30/93/11/205309311.db2.gz QYJQHUQADDHJNE-UZLBHIALSA-N 0 0 385.485 3.619 3 0 GHAFRN NC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000072171025 205315258 /nfs/dbraw/zinc/31/52/58/205315258.db2.gz SHRPRXKVHTVRBU-QPJJXVBHSA-N 0 0 379.641 3.853 1 0 GHAFRN C[C@]1([C@@H](O)c2ccc(Cl)cc2)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072179164 205317141 /nfs/dbraw/zinc/31/71/41/205317141.db2.gz LNIUIXFOIPEXRI-WMLDXEAASA-N 0 0 399.274 3.846 1 0 GHAFRN CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)C1 ZINC000072177914 205318019 /nfs/dbraw/zinc/31/80/19/205318019.db2.gz PLWYGOBBNUQDGG-UHFFFAOYSA-N 0 0 390.867 3.913 1 0 GHAFRN CCOC(=O)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@H](c1ccccc1)C2 ZINC000073198827 205356241 /nfs/dbraw/zinc/35/62/41/205356241.db2.gz PWZACZYZSCVQDG-SFHVURJKSA-N 0 0 394.406 3.992 1 0 GHAFRN FC(F)(F)c1nc2c(nnn2C[C@H]2CCCO2)c(NC2CCCCCC2)n1 ZINC000084690782 205399124 /nfs/dbraw/zinc/39/91/24/205399124.db2.gz RVMLWTWAXLWDHR-GFCCVEGCSA-N 0 0 384.406 3.554 1 0 GHAFRN Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(/C=C2/C(=O)Nc3ccccc32)o1 ZINC000095564196 205498798 /nfs/dbraw/zinc/49/87/98/205498798.db2.gz BBMQXWKZNGQJCQ-GZTJUZNOSA-N 0 0 384.391 3.810 1 0 GHAFRN CNc1nc(N)nc2nc(-c3c(N4CCCC4)cccc3C(F)(F)F)ccc21 ZINC000095562280 205499646 /nfs/dbraw/zinc/49/96/46/205499646.db2.gz GYMGYPMMTCQNKY-UHFFFAOYSA-N 0 0 388.397 3.935 1 0 GHAFRN CN1C(=N)N[C@]2(CC1=O)CC(C)(C)Cc1ccc(-c3cncc(Cl)c3)cc12 ZINC000095603628 205502371 /nfs/dbraw/zinc/50/23/71/205502371.db2.gz DYJMRYUXJYQJSH-OAQYLSRUSA-N 0 0 382.895 3.747 1 0 GHAFRN c1cnc2nc(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1 ZINC000073296474 136171501 /nfs/dbraw/zinc/17/15/01/136171501.db2.gz GRTTYDAVEXPIIC-UHFFFAOYSA-N 0 0 377.492 3.978 1 0 GHAFRN Cc1ccnc(NC(=S)N2CCN(c3ccccc3C(F)(F)F)CC2)c1 ZINC000095569401 136182107 /nfs/dbraw/zinc/18/21/07/136182107.db2.gz HQTQFLOGCBMGEB-UHFFFAOYSA-N 0 0 380.439 3.928 1 0 GHAFRN Cc1ccc(C(=O)Nc2ccon2)cc1NC(=O)c1cnc(NC(C)C)s1 ZINC000029041424 581092923 /nfs/dbraw/zinc/09/29/23/581092923.db2.gz QGJDHDIEZQDSIA-UHFFFAOYSA-N 0 0 385.449 3.764 1 0 GHAFRN CCC(=O)O/C(c1cccs1)=C1/c2cc(F)c(Cl)cc2N(C(N)=O)C1=O ZINC000001492552 203912043 /nfs/dbraw/zinc/91/20/43/203912043.db2.gz MKBCSHOLMOFKCV-PFONDFGASA-N 0 0 394.811 3.787 1 0 GHAFRN COc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000002943147 203976243 /nfs/dbraw/zinc/97/62/43/203976243.db2.gz HKQASVVYKGRZEF-UHFFFAOYSA-N 0 0 389.386 3.786 1 0 GHAFRN Cn1cccc1C(=O)N1CCC2(CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000003956005 204022102 /nfs/dbraw/zinc/02/21/02/204022102.db2.gz HOOWTOLZGZVLGU-UHFFFAOYSA-N 0 0 380.492 3.575 1 0 GHAFRN Cc1noc(C)c1C(=O)N1CCC2(CCCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000003956291 204022628 /nfs/dbraw/zinc/02/26/28/204022628.db2.gz SNWSBFDDGBZCBS-UHFFFAOYSA-N 0 0 396.491 3.842 1 0 GHAFRN Cc1ccc(NC(=O)c2nnn(Cc3cccc(C(F)(F)F)c3)c2N)c(C)c1 ZINC000004878219 204085949 /nfs/dbraw/zinc/08/59/49/204085949.db2.gz PKBNOPZFKVQHNO-UHFFFAOYSA-N 0 0 389.381 3.797 1 0 aggregator GHAFRN CCOC(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2SC3)CC1 ZINC000005141750 204114027 /nfs/dbraw/zinc/11/40/27/204114027.db2.gz XQIOVSJSLPXJEY-UHFFFAOYSA-N 0 0 388.514 3.935 1 0 GHAFRN CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F ZINC000005848911 204153949 /nfs/dbraw/zinc/15/39/49/204153949.db2.gz XGBUEAAOXNGUJL-UHFFFAOYSA-N 0 0 399.239 3.553 1 0 GHAFRN COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(Cl)cc1)SCC2=O ZINC000013556722 204493999 /nfs/dbraw/zinc/49/39/99/204493999.db2.gz URIPIMXIRBQBOL-QGZVFWFLSA-N 0 0 377.849 3.967 1 0 GHAFRN CC(C)COC(=O)n1c2cc(C(=O)N3CCOCC3)oc2c2ccc(F)cc21 ZINC000026383698 204841976 /nfs/dbraw/zinc/84/19/76/204841976.db2.gz OKTSJKQOQHUAGM-UHFFFAOYSA-N 0 0 388.395 3.640 1 0 GHAFRN Cc1ccc2c(c1)n(C(=O)OCC(C)C)c1cc(C(=O)N3CCOCC3)oc12 ZINC000026376640 204842511 /nfs/dbraw/zinc/84/25/11/204842511.db2.gz OZQCFIOTGPLQJH-UHFFFAOYSA-N 0 0 384.432 3.809 1 0 GHAFRN CCCCCCN([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957765 204884509 /nfs/dbraw/zinc/88/45/09/204884509.db2.gz MZWWAGVDONSOQJ-QGZVFWFLSA-N 0 0 386.945 3.580 1 0 GHAFRN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc2sc(CO)nc2c1 ZINC000034641515 204971090 /nfs/dbraw/zinc/97/10/90/204971090.db2.gz FFUUZGDUPIJXJV-UHFFFAOYSA-N 0 0 388.392 3.608 1 0 GHAFRN COc1cc2ncc(C(N)=O)c(Nc3ccc(F)c(Cl)c3)c2cc1OC ZINC000038464830 205035678 /nfs/dbraw/zinc/03/56/78/205035678.db2.gz ZWCBMLUUBWYSGZ-UHFFFAOYSA-N 0 0 375.787 3.887 1 0 GHAFRN CCOC(=O)c1cc(-c2csc(-c3ccnc(OC)c3)n2)c(=O)[nH]c1C(C)C ZINC000045253809 205094753 /nfs/dbraw/zinc/09/47/53/205094753.db2.gz MIADYWDEYBVZMR-UHFFFAOYSA-N 0 0 399.472 3.869 1 0 GHAFRN COc1ccc2c(c1)oc(C(=O)c1cc(OC)c(OC)c(OC)c1)c2NC(C)=O ZINC000045496536 205096886 /nfs/dbraw/zinc/09/68/86/205096886.db2.gz SVNSDEJJLKIFRR-UHFFFAOYSA-N 0 0 399.399 3.657 1 0 GHAFRN CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000040829123 205072623 /nfs/dbraw/zinc/07/26/23/205072623.db2.gz POSPTHBYSUVWOV-OAHLLOKOSA-N 0 0 377.289 3.950 1 0 GHAFRN O=S(=O)(N[C@H]1[C@@H]2CC[C@@]1(c1ncc[nH]1)CCCC2)c1ccc(Cl)s1 ZINC000040822695 205072855 /nfs/dbraw/zinc/07/28/55/205072855.db2.gz RTNOGOZMJZKLLB-PJODQICGSA-N 0 0 385.942 3.694 1 0 GHAFRN O=C(Cn1c(=O)oc(-c2ccccc2)c1-c1ccccc1)Nc1nccs1 ZINC000040901532 205076116 /nfs/dbraw/zinc/07/61/16/205076116.db2.gz QSNIXQLUQPYPLA-UHFFFAOYSA-N 0 0 377.425 3.871 1 0 GHAFRN CC(C)[C@H]1c2c[nH]nc2C(F)(F)CN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000049036351 205125278 /nfs/dbraw/zinc/12/52/78/205125278.db2.gz ASXMFJUHDKLPJP-ZDUSSCGKSA-N 0 0 375.828 3.557 1 0 GHAFRN CCOC(=O)C1C(c2ccc3c(c2)OCO3)=Nc2cccc(OC)c2[C@@H]1OC ZINC000049071115 205125926 /nfs/dbraw/zinc/12/59/26/205125926.db2.gz TUFPQRMMEQVCBO-FQEVSTJZSA-N 0 0 383.400 3.511 1 0 GHAFRN C[C@@]1(C(=O)N2Cc3ccccc3C2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000061902925 205182545 /nfs/dbraw/zinc/18/25/45/205182545.db2.gz WTZQHKISXNLYSC-QFIPXVFZSA-N 0 0 394.902 3.905 3 0 GHAFRN O=C(Nc1ccccc1Cl)c1cc([C@H]2CCCN(C(=O)OCCF)C2)on1 ZINC000061905720 205183196 /nfs/dbraw/zinc/18/31/96/205183196.db2.gz WVCITXUZZTWLES-LBPRGKRZSA-N 0 0 395.818 3.866 3 0 GHAFRN O=C(c1cc(-n2cc(-c3cc(F)cc(F)c3)nn2)ccc1O)N1CCCCC1 ZINC000071318925 205280792 /nfs/dbraw/zinc/28/07/92/205280792.db2.gz AMYFSFGOKNGKDI-UHFFFAOYSA-N 0 0 384.386 3.544 1 0 GHAFRN CC1(C)COC(c2cccc([C@](O)(c3ccc(Cl)cc3)c3cncnc3)c2)=N1 ZINC000072101024 205302970 /nfs/dbraw/zinc/30/29/70/205302970.db2.gz VZZTXVUJUPVXMJ-JOCHJYFZSA-N 0 0 393.874 3.970 1 0 GHAFRN COc1cc([C@@H]2c3ccc4[nH]ccc4c3NC3=COC(=O)C32)cc(OC)c1OC ZINC000071281250 205279584 /nfs/dbraw/zinc/27/95/84/205279584.db2.gz YGICIKUJEGOCLD-GOSISDBHSA-N 0 0 392.411 3.562 1 0 GHAFRN Cc1c2c(nn1-c1ccc(OC(F)(F)F)cc1)c(N1CCCC1)nnc2C ZINC000072110907 205305138 /nfs/dbraw/zinc/30/51/38/205305138.db2.gz IHJFGPKQEKFKLS-UHFFFAOYSA-N 0 0 377.370 3.931 1 0 GHAFRN COCCNC(=S)N1CC[C@@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 ZINC000072122887 205306155 /nfs/dbraw/zinc/30/61/55/205306155.db2.gz OKLFXMJBQCNBTC-APWZRJJASA-N 0 0 396.512 3.837 1 0 GHAFRN CCOC(=O)C1=CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2C)C1 ZINC000072132403 205306387 /nfs/dbraw/zinc/30/63/87/205306387.db2.gz NCQPZIRBDAIPQU-LJQANCHMSA-N 0 0 385.485 3.620 3 0 GHAFRN O=C(c1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072184840 205317598 /nfs/dbraw/zinc/31/75/98/205317598.db2.gz JCRRJXPOZYZPQO-OAQYLSRUSA-N 0 0 392.890 3.677 1 0 GHAFRN O=S(=O)(N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)C1CCCCC1 ZINC000072185776 205319116 /nfs/dbraw/zinc/31/91/16/205319116.db2.gz VJFHYQQODQTDGZ-KRWDZBQOSA-N 0 0 399.438 3.837 1 0 GHAFRN O=C(NC1CC1)c1cnn2c1N(C(=O)Nc1ccccc1)[C@@H](c1ccccc1)C2 ZINC000073197183 205354620 /nfs/dbraw/zinc/35/46/20/205354620.db2.gz CSNCDCZRPBSSMS-LJQANCHMSA-N 0 0 387.443 3.569 1 0 GHAFRN CN1C(=N)N[C@@](c2cccnc2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O ZINC000084605143 205395467 /nfs/dbraw/zinc/39/54/67/205395467.db2.gz PNFYDRRJPSSMRN-OAQYLSRUSA-N 0 0 376.847 3.642 1 0 GHAFRN CCCCN1Cc2cc(OC)c3c(c2-c2c4c(c(OC)cc2C1)OCO4)OCO3 ZINC000084605436 205396075 /nfs/dbraw/zinc/39/60/75/205396075.db2.gz VSQTTZBVVBJTKP-UHFFFAOYSA-N 0 0 399.443 3.944 1 0 GHAFRN CC1(C)COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 ZINC000095556043 205498293 /nfs/dbraw/zinc/49/82/93/205498293.db2.gz RZXMCAVYNNVGHZ-UHFFFAOYSA-N 0 0 392.499 3.828 1 0 GHAFRN COC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 ZINC000096286037 205556550 /nfs/dbraw/zinc/55/65/50/205556550.db2.gz NKVKCTYTQNQNIH-OAHLLOKOSA-N 0 0 379.459 3.546 1 0 GHAFRN CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1ccc(Br)cc1 ZINC000028459942 206042895 /nfs/dbraw/zinc/04/28/95/206042895.db2.gz IKJGGGQAGVNUAM-UHFFFAOYSA-N 0 0 389.253 3.960 1 0 GHAFRN CC(C)=CCCCc1ccc2c3c(c[nH]c31)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C ZINC000026494560 221641879 /nfs/dbraw/zinc/64/18/79/221641879.db2.gz IVTALJUWTQPWLZ-CVDCTZTESA-N 0 0 397.563 3.951 1 0 GHAFRN O=C(c1cc(-n2cc(-c3cccc(Cl)c3)nn2)ccc1O)N1CCCCC1 ZINC000071315893 222179704 /nfs/dbraw/zinc/17/97/04/222179704.db2.gz KFIPVQYNWQZUAO-UHFFFAOYSA-N 0 0 382.851 3.919 1 0 GHAFRN O=C(c1ccc(-n2cc(-c3cc(F)cc(F)c3)nn2)cc1O)N1CCCCC1 ZINC000071316353 222180482 /nfs/dbraw/zinc/18/04/82/222180482.db2.gz GUUPYTIMRWQJJG-UHFFFAOYSA-N 0 0 384.386 3.544 1 0 GHAFRN CCOc1ncc(-c2ccc(S(C)(=O)=O)cc2)cc1-c1ccc(OC)nc1 ZINC000103252880 222493720 /nfs/dbraw/zinc/49/37/20/222493720.db2.gz KFFMUGLVGWGMAS-UHFFFAOYSA-N 0 0 384.457 3.621 1 0 GHAFRN CCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 ZINC000013429539 571701262 /nfs/dbraw/zinc/70/12/62/571701262.db2.gz YVCSPVUIXKMOLW-BXUZGUMPSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN CCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(-c3ccccc3)c2n1 ZINC000004239090 204034338 /nfs/dbraw/zinc/03/43/38/204034338.db2.gz PQPWKQHDJXKOEX-UHFFFAOYSA-N 0 0 396.454 3.766 1 0 GHAFRN Cn1c(C(=O)O[C@H](C(=O)NC2CCCC2)c2cccnc2)cc2sccc21 ZINC000004923977 204092186 /nfs/dbraw/zinc/09/21/86/204092186.db2.gz IAPDTBGWRYTTBA-SFHVURJKSA-N 0 0 383.473 3.592 3 0 GHAFRN O=C(CC(=O)N1N=C(N2CCCCC2)C[C@@H]1c1ccccc1)Nc1ccccc1 ZINC000005541979 204138835 /nfs/dbraw/zinc/13/88/35/204138835.db2.gz RQYCPDRSXZCLTC-HXUWFJFHSA-N 0 0 390.487 3.788 1 0 GHAFRN Cc1nn(CC(=O)N[C@H](C)c2ccccc2)c(=O)c2c3ccccc3sc21 ZINC000006798981 204207003 /nfs/dbraw/zinc/20/70/03/204207003.db2.gz JLOQWRYOHONJKZ-CYBMUJFWSA-N 0 0 377.469 3.797 1 0 GHAFRN O=C(c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21)N1CCOCC1 ZINC000006748790 204200160 /nfs/dbraw/zinc/20/01/60/204200160.db2.gz XWVCUDKRHYMFBX-UHFFFAOYSA-N 0 0 381.432 3.828 1 0 GHAFRN CCc1cccc(-n2nnc(-c3nc(-c4ccc5c(c4)OCO5)no3)c2C)c1 ZINC000008831107 204290979 /nfs/dbraw/zinc/29/09/79/204290979.db2.gz KAWLQQYQACVYPF-UHFFFAOYSA-N 0 0 375.388 3.584 1 0 GHAFRN COc1ccc2c(c1)CN(C(=O)N(C)C)N=C2Cc1c(Cl)cncc1Cl ZINC000013436027 204489948 /nfs/dbraw/zinc/48/99/48/204489948.db2.gz NIIUPUGHYBIJHX-UHFFFAOYSA-N 0 0 393.274 3.841 1 0 GHAFRN CCC(CC)N1CCn2c(=O)n(-c3ccc(OC)cc3C)c3nc(C)cc1c32 ZINC000013652934 204501499 /nfs/dbraw/zinc/50/14/99/204501499.db2.gz RCWNRBRZPXYDNE-UHFFFAOYSA-N 0 0 380.492 3.821 1 0 GHAFRN COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3F)c2cc1OC ZINC000040420533 205065669 /nfs/dbraw/zinc/06/56/69/205065669.db2.gz UMSGSJIQAZSBTJ-UHFFFAOYSA-N 0 0 375.787 3.887 1 0 GHAFRN COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(F)cc3C)cn2)cn1 ZINC000043062626 205081171 /nfs/dbraw/zinc/08/11/71/205081171.db2.gz BDHILEZTYXNNPL-UHFFFAOYSA-N 0 0 392.394 3.676 1 0 GHAFRN CCOC(=O)C[C@H]1c2c(cccc2-c2ccccc2)OC(N)=C1C(=O)OCC ZINC000043121541 205081992 /nfs/dbraw/zinc/08/19/92/205081992.db2.gz OGXIABMTDFOTOT-INIZCTEOSA-N 0 0 381.428 3.516 1 0 GHAFRN Cc1cccc(-n2nc(-c3ccc(C(N)=O)cc3)cc2-c2ccc3c(c2)OCO3)n1 ZINC000043073356 205082418 /nfs/dbraw/zinc/08/24/18/205082418.db2.gz IYNANLSAAYFZCM-UHFFFAOYSA-N 0 0 398.422 3.737 1 0 GHAFRN CC(=O)Nc1ccc([C@H]2N[C@H](C(=O)Nc3nc4ccccc4s3)CS2)cc1 ZINC000045388889 205096578 /nfs/dbraw/zinc/09/65/78/205096578.db2.gz UFCYFWFBRHUKQS-YJBOKZPZSA-N 0 0 398.513 3.597 1 0 GHAFRN COc1ccc(-c2n[nH]cc2C=C2SC(=N)N(c3nccs3)C2=O)cc1 ZINC000040917230 205075926 /nfs/dbraw/zinc/07/59/26/205075926.db2.gz MBUXGYIHKNSNBE-WRBCWBSPSA-N 0 0 383.458 3.597 1 0 GHAFRN CC(=O)Nc1ccc(NC(=O)[C@@H]2Cc3c(nccc3-c3cccc(F)c3)O2)cc1 ZINC000061905837 205183650 /nfs/dbraw/zinc/18/36/50/205183650.db2.gz YFUZWAFHPVKVGC-FQEVSTJZSA-N 0 0 391.402 3.788 3 0 GHAFRN CCCCCC(=O)N1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccccc1 ZINC000061923177 205183985 /nfs/dbraw/zinc/18/39/85/205183985.db2.gz SCDIIBZOOLCLIT-NJDAHSKKSA-N 0 0 382.508 3.611 3 0 GHAFRN O=C([O-])C1=CCC[N@@H+]([C@@H]2CC[C@]3(C2)c2ccccc2Cc2ccccc2C3=O)C1 ZINC000064447045 205190503 /nfs/dbraw/zinc/19/05/03/205190503.db2.gz YHPLTCSZJDWTFK-NLFFAJNJSA-N 0 0 387.479 3.981 1 0 GHAFRN COc1cc(C=Cc2nc(=O)c3c(C)csc3[nH]2)ccc1-n1cnc(C)c1 ZINC000066251482 205240891 /nfs/dbraw/zinc/24/08/91/205240891.db2.gz LUGNTHCVMDLTQG-FNORWQNLSA-N 0 0 378.457 3.966 1 0 GHAFRN CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1cccnc1 ZINC000066259081 205240993 /nfs/dbraw/zinc/24/09/93/205240993.db2.gz PBTORTRGDMCEAW-XZXOBPBMSA-N 0 0 377.396 3.527 1 0 GHAFRN COc1cc(C(=O)c2cn(-c3ccc4ccccc4c3)nn2)cc(OC)c1OC ZINC000066258325 205241391 /nfs/dbraw/zinc/24/13/91/205241391.db2.gz FBQJRXDGTJFCKM-UHFFFAOYSA-N 0 0 389.411 3.677 1 0 GHAFRN COc1cc([C@H]2c3c4[nH]ccc4ccc3NC3=COC(=O)C32)cc(OC)c1OC ZINC000071330516 205281592 /nfs/dbraw/zinc/28/15/92/205281592.db2.gz RCJSMZFELYDCSE-KRWDZBQOSA-N 0 0 392.411 3.562 1 0 GHAFRN CCCCCC(=O)N1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccccc1 ZINC000072129324 205307816 /nfs/dbraw/zinc/30/78/16/205307816.db2.gz SCDIIBZOOLCLIT-QHAWAJNXSA-N 0 0 382.508 3.611 1 0 GHAFRN CCOC(=O)C1=CC[C@@H](c2cccs2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000072138518 205309357 /nfs/dbraw/zinc/30/93/57/205309357.db2.gz GYYMWBFKIUKFNQ-KRWDZBQOSA-N 0 0 391.514 3.682 3 0 GHAFRN CCCCNC(=O)[C@H](NC(=O)c1cccc2ccccc21)C(=O)c1ccccc1 ZINC000072140857 205309393 /nfs/dbraw/zinc/30/93/93/205309393.db2.gz YXHBPIQUGNPKAA-OAQYLSRUSA-N 0 0 388.467 3.737 3 0 GHAFRN CCN(CC)C(=O)[C@@H]1CCCc2c1c1c(cc(OC)cc1OC)n2CCF ZINC000082154967 205389268 /nfs/dbraw/zinc/38/92/68/205389268.db2.gz KAQBDGZMPFIGFI-OAHLLOKOSA-N 0 0 376.472 3.916 1 0 GHAFRN O=C(Nc1c(F)cc(-c2ccc(C(F)(F)F)cc2)cc1F)c1no[nH]c1=O ZINC000082153488 205389417 /nfs/dbraw/zinc/38/94/17/205389417.db2.gz OGZFCOSJXCOOPX-UHFFFAOYSA-N 0 0 385.248 3.992 1 0 GHAFRN [NH3+][C@@H](CSC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000084714495 205398433 /nfs/dbraw/zinc/39/84/33/205398433.db2.gz JYKIGFKTUFYKOS-FQEVSTJZSA-N 0 0 391.492 3.958 1 0 GHAFRN CC[C@H](C)NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000096927466 205577651 /nfs/dbraw/zinc/57/76/51/205577651.db2.gz DWQMKGWYYGXMGT-YCRPNKLZSA-N 0 0 393.487 3.808 1 0 GHAFRN CC(=O)OC[C@@]1(C)CC[C@@H](C(C)C)/C=C/[C@](C)(O)C/C=C\[C@](C)(O)CC1=O ZINC000169291286 205823915 /nfs/dbraw/zinc/82/39/15/205823915.db2.gz MOTBGHLVUHHVFC-GZLOEMOYSA-N 0 0 380.525 3.586 1 0 GHAFRN CC(C)NC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO ZINC000095878026 136182478 /nfs/dbraw/zinc/18/24/78/136182478.db2.gz RAKTXRMKPQICLS-NYVOZVTQSA-N 0 0 379.504 3.645 1 0 GHAFRN O=C1NC(=O)/C(=C/c2c(-c3ccccc3)nc3sc(C(F)(F)F)nn23)S1 ZINC000073294127 222269706 /nfs/dbraw/zinc/26/97/06/222269706.db2.gz DTWNUWRBEQRBBE-TWGQIWQCSA-N 0 0 396.375 3.801 1 0 GHAFRN CO[C@H]1OC(=O)c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4 ZINC000006627242 291132364 /nfs/dbraw/zinc/13/23/64/291132364.db2.gz XCQUEZWAPHJFSR-NRFANRHFSA-N 0 0 378.336 3.780 1 0 biogenic,in-vitro GHAFRN Cc1cnc(CNc2ncnc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc32)cn1 ZINC000004264719 204036359 /nfs/dbraw/zinc/03/63/59/204036359.db2.gz MZGOEXSOTHMOPA-UHFFFAOYSA-N 0 0 398.470 3.709 1 0 GHAFRN COC(=O)c1ccc(OC)c(NC(=O)c2cnc3c(n2)C(C)(C)CCC3(C)C)c1 ZINC000026834356 204849355 /nfs/dbraw/zinc/84/93/55/204849355.db2.gz VLCKBDHMDPEAMQ-UHFFFAOYSA-N 0 0 397.475 3.873 1 0 GHAFRN CCn1nc(C(F)(F)F)cc1C(=O)Nc1c(C)cccc1C(=O)NC(C)C ZINC000028528538 204875690 /nfs/dbraw/zinc/87/56/90/204875690.db2.gz NSDRVEXNRGFQES-UHFFFAOYSA-N 0 0 382.386 3.621 1 0 GHAFRN FC(F)(F)c1nc(-c2ccc(N3CCC(Oc4ccccc4)CC3)nn2)no1 ZINC000028655405 204879278 /nfs/dbraw/zinc/87/92/78/204879278.db2.gz IKWWJONBRKGIBA-UHFFFAOYSA-N 0 0 391.353 3.593 1 0 GHAFRN Cc1ccc(-c2nc(CN3CCNC(=O)[C@H]3Cc3ccccc3)c(C)o2)s1 ZINC000039479110 205041865 /nfs/dbraw/zinc/04/18/65/205041865.db2.gz PJALWWGSDABMMZ-GOSISDBHSA-N 0 0 381.501 3.563 1 0 GHAFRN Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(Cc2ccccc2C1)O3 ZINC000040420727 205065468 /nfs/dbraw/zinc/06/54/68/205065468.db2.gz UWPMKRFLLUSEIF-UHFFFAOYSA-N 0 0 375.472 3.516 1 0 GHAFRN Cc1c(C)c(C)c(S(=O)(=O)n2c3cc(Cl)ccc3[nH]c2=O)c(C)c1C ZINC000045389101 205095877 /nfs/dbraw/zinc/09/58/77/205095877.db2.gz QTFAFXQTVIFDBF-UHFFFAOYSA-N 0 0 378.881 3.762 1 0 GHAFRN O=C(c1ccc2c(c1)Oc1ccccc1[C@@]2(O)c1ccccc1)N1CCOCC1 ZINC000045358135 205096426 /nfs/dbraw/zinc/09/64/26/205096426.db2.gz XFQXVKWLFMBWNL-DEOSSOPVSA-N 0 0 387.435 3.549 1 0 GHAFRN O=C(Nc1cc(-c2ccccc2)on1)C1CCC2(CC1)OC(=O)c1ccncc12 ZINC000045367387 205096462 /nfs/dbraw/zinc/09/64/62/205096462.db2.gz IVPSRSHZKXJNAW-UHFFFAOYSA-N 0 0 389.411 3.931 1 0 GHAFRN COc1cccc2c1oc(C(=O)c1cc(OC)c(OC)c(OC)c1)c2N(C)C ZINC000045506637 205097741 /nfs/dbraw/zinc/09/77/41/205097741.db2.gz UKWYEJVNRIZDGJ-UHFFFAOYSA-N 0 0 385.416 3.764 1 0 GHAFRN CC1(C)C=C(c2ccc(-c3nc4c(cccc4C(N)=O)[nH]3)cc2)C(C)(C)N1O ZINC000040861746 205074571 /nfs/dbraw/zinc/07/45/71/205074571.db2.gz IPMQURUKECHEMU-UHFFFAOYSA-N 0 0 376.460 3.974 1 0 GHAFRN Cc1ccc(C(=O)c2nc(NC(=O)c3cccnc3)nc3ccsc32)s1 ZINC000048999856 205123989 /nfs/dbraw/zinc/12/39/89/205123989.db2.gz RMNYIORRJFTYKB-UHFFFAOYSA-N 0 0 380.454 3.940 1 0 GHAFRN COCCNc1nc2cc(-c3cccc(C(F)(F)F)c3)sc2c(=O)n1C ZINC000061904870 205182769 /nfs/dbraw/zinc/18/27/69/205182769.db2.gz BGYPTAUJGOLKCD-UHFFFAOYSA-N 0 0 383.395 3.739 3 0 GHAFRN CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCc3cccs3)cn21 ZINC000061896709 205183164 /nfs/dbraw/zinc/18/31/64/205183164.db2.gz JVHXUSSTVYVCLF-UHFFFAOYSA-N 0 0 384.505 3.651 3 0 GHAFRN Cn1cc(-c2cnc3c(NC=O)cc(-c4cccc(C(F)(F)F)c4)cn23)cn1 ZINC000061905824 205183629 /nfs/dbraw/zinc/18/36/29/205183629.db2.gz WXHVXDABZJENJM-UHFFFAOYSA-N 0 0 385.349 3.989 3 0 GHAFRN Cc1cccc(C)c1NN1C(=O)O[C@](C)(c2ccc(Br)nc2)C1=O ZINC000072107011 205303170 /nfs/dbraw/zinc/30/31/70/205303170.db2.gz ZFUCRWWUDLSHII-QGZVFWFLSA-N 0 0 390.237 3.682 1 0 GHAFRN NC(=O)c1cc(Cl)ccc1NC(=O)/C=C/c1cccc(Br)c1 ZINC000072170144 205315322 /nfs/dbraw/zinc/31/53/22/205315322.db2.gz QILUSODDJRGQEA-QPJJXVBHSA-N 0 0 379.641 3.853 1 0 GHAFRN c1cn(-c2ccccc2)c2ncnc(OC3CCN(Cc4cscn4)CC3)c12 ZINC000084615151 205395630 /nfs/dbraw/zinc/39/56/30/205395630.db2.gz QNOMNABFDPYVCD-UHFFFAOYSA-N 0 0 391.500 3.920 1 0 GHAFRN O=C1O/C(=C\c2ccc(O)c(Br)c2)C(=O)N1c1ccc(Cl)nc1 ZINC000084618970 205396506 /nfs/dbraw/zinc/39/65/06/205396506.db2.gz OZVSBOPJUNGMSQ-SDQBBNPISA-N 0 0 395.596 3.727 1 0 GHAFRN NC(=O)c1cccn2cc(-c3cccc(-c4cncc(OCC(F)F)c4)c3)nc12 ZINC000096916047 205576835 /nfs/dbraw/zinc/57/68/35/205576835.db2.gz NNRDUFIZBCWCRB-UHFFFAOYSA-N 0 0 394.381 3.806 1 0 GHAFRN CC1=C2[C@H](C[C@@H]1OC(=O)c1ccc(C)cc1)[C@](C)(O)CC[C@H]1[C@H](C)C(=O)O[C@H]21 ZINC000169349970 205829997 /nfs/dbraw/zinc/82/99/97/205829997.db2.gz GHNFTOHGWRJYSU-JSZWDFBLSA-N 0 0 384.472 3.579 1 0 GHAFRN CCOC(=O)c1c(C)oc2nc(Nc3cccc(C)c3)nc(N3CCOCC3)c21 ZINC000064511966 136156890 /nfs/dbraw/zinc/15/68/90/136156890.db2.gz QWMZFCAVAOPVAD-UHFFFAOYSA-N 0 0 396.447 3.597 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3cccc(C(F)(F)F)n3)CC2)c1 ZINC000095569878 136182205 /nfs/dbraw/zinc/18/22/05/136182205.db2.gz BUAWSIVASMCHFU-UHFFFAOYSA-N 0 0 395.454 3.631 1 0 GHAFRN CC(=O)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccccc4)nn32)CC1 ZINC000095569413 136182213 /nfs/dbraw/zinc/18/22/13/136182213.db2.gz CNVIXHRBRCPIES-UHFFFAOYSA-N 0 0 397.482 3.732 1 0 GHAFRN Cc1ccc2c(n1)N(Cc1ccccc1F)C[C@@H](C(=O)NC1CCCCC1)[C@H]2O ZINC000195178813 136202647 /nfs/dbraw/zinc/20/26/47/136202647.db2.gz FXSJUTZQWVZGTH-CTNGQTDRSA-N 0 0 397.494 3.648 1 0 GHAFRN O=C([O-])c1cc(C[NH+]2CCC(c3ccc(F)cc3)CC2)c2ccccn2c1=O ZINC000066097677 222137462 /nfs/dbraw/zinc/13/74/62/222137462.db2.gz FOODQSMQWVVXFV-UHFFFAOYSA-N 0 0 380.419 3.516 1 0 GHAFRN COc1cc2c(c(OC)c1)C(=O)N(c1cccc(C(=O)N3CCCCC3)c1)CC2 ZINC000096938026 536888164 /nfs/dbraw/zinc/88/81/64/536888164.db2.gz HORDBRNWPQHDLX-UHFFFAOYSA-N 0 0 394.471 3.533 1 0 GHAFRN CCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 ZINC000013429543 571701377 /nfs/dbraw/zinc/70/13/77/571701377.db2.gz YVCSPVUIXKMOLW-RISCZKNCSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN Cc1ccc(C(=O)Nc2nncs2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040918699 581092914 /nfs/dbraw/zinc/09/29/14/581092914.db2.gz MFXFNCJMIVXUGG-UHFFFAOYSA-N 0 0 392.484 3.906 1 0 GHAFRN CCCOc1ccc(OCCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1 ZINC000001549190 203913516 /nfs/dbraw/zinc/91/35/16/203913516.db2.gz RQIHFVXPJYOCDO-UHFFFAOYSA-N 0 0 396.495 3.687 1 0 GHAFRN Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCC3)ccc2F)cc1 ZINC000003031879 203981956 /nfs/dbraw/zinc/98/19/56/203981956.db2.gz YBPCWWYWJVJHAI-UHFFFAOYSA-N 0 0 390.480 3.997 1 0 GHAFRN O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)N(c1ccccc1)c1ccccc1 ZINC000004893715 204086479 /nfs/dbraw/zinc/08/64/79/204086479.db2.gz QFIZZURQLNEHLE-YVCBRDFCSA-N 0 0 386.451 3.549 1 0 GHAFRN COC(=O)CNC(=O)c1cnc(Nc2ccc(C)c(Cl)c2)c2ccccc12 ZINC000004563688 204053862 /nfs/dbraw/zinc/05/38/62/204053862.db2.gz MURKJLKDJKPSMP-UHFFFAOYSA-N 0 0 383.835 3.843 1 0 GHAFRN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000005042560 204106062 /nfs/dbraw/zinc/10/60/62/204106062.db2.gz QIQFEJXKVXDFDD-HUUCEWRRSA-N 0 0 375.490 3.680 3 0 aggregator GHAFRN COC(=O)[C@@H]1CO[C@H](C(C)(C)C)N1C(=O)C(c1ccccc1)c1ccccc1 ZINC000005714625 204149091 /nfs/dbraw/zinc/14/90/91/204149091.db2.gz NZXCHVDBYTZBPG-PGRDOPGGSA-N 0 0 381.472 3.591 1 0 GHAFRN O=C1c2ccccc2N=C1C1C(=O)Nc2ccc(I)cc21 ZINC000006117069 204165605 /nfs/dbraw/zinc/16/56/05/204165605.db2.gz JCJGSZCPPTXTGO-UHFFFAOYSA-N 0 0 388.164 3.795 1 0 GHAFRN Cc1nn(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c2c3ccccc3sc21 ZINC000006798980 204207319 /nfs/dbraw/zinc/20/73/19/204207319.db2.gz JLOQWRYOHONJKZ-ZDUSSCGKSA-N 0 0 377.469 3.797 1 0 GHAFRN CCCC(CCC)N1CCn2c(=O)n(-c3ccc(OC)nc3)c3nc(C)cc1c32 ZINC000013652926 204501521 /nfs/dbraw/zinc/50/15/21/204501521.db2.gz RLRNDGUVOQJZES-UHFFFAOYSA-N 0 0 395.507 3.688 1 0 GHAFRN COC(=O)[C@@H](NC(=O)c1cc(-c2ccc[nH]2)nc2ccccc21)c1ccccc1 ZINC000013762356 204511808 /nfs/dbraw/zinc/51/18/08/204511808.db2.gz OWBVUDHDOPMRCS-NRFANRHFSA-N 0 0 385.423 3.874 1 0 GHAFRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H](C(C)C)[C@@H](CO)[C@@H]3[C@@H](CO)C[C@H]12 ZINC000016930871 204602029 /nfs/dbraw/zinc/60/20/29/204602029.db2.gz LSEZDZDSBYJFOM-OCEGNXCMSA-N 0 0 380.569 3.891 1 0 GHAFRN CCCCC(=O)N1C[C@@H](C)c2cc3c(cc2C(c2ccc(N)cc2)=N1)OCO3 ZINC000028000762 204864426 /nfs/dbraw/zinc/86/44/26/204864426.db2.gz JIDHZELWXVPJJU-CQSZACIVSA-N 0 0 379.460 3.886 1 0 GHAFRN COc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2ccc(C)cc2NC1=O ZINC000033819340 204968210 /nfs/dbraw/zinc/96/82/10/204968210.db2.gz QHKLEOGZJAVJLX-QFIPXVFZSA-N 0 0 399.450 3.549 1 0 GHAFRN O=C(Nc1cccc(C(=O)c2ccccc2)c1)[C@@H]1CS[C@@H](c2cccnc2)N1 ZINC000036331925 205010699 /nfs/dbraw/zinc/01/06/99/205010699.db2.gz GODKDFFNZRYHBY-UGKGYDQZSA-N 0 0 389.480 3.655 1 0 GHAFRN CC[C@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1 ZINC000036348985 205013118 /nfs/dbraw/zinc/01/31/18/205013118.db2.gz HEEKPDWNVFGASY-JTQLQIEISA-N 0 0 384.914 3.890 1 0 GHAFRN c1nc2ncnc(OCC3CCCCC3)c2n1[C@H]1COc2ccccc2CO1 ZINC000040391821 205062403 /nfs/dbraw/zinc/06/24/03/205062403.db2.gz YGFQDNIKLMKOMK-GOSISDBHSA-N 0 0 380.448 3.893 1 0 GHAFRN O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c32)c1)c1ccnc(Cl)c1 ZINC000045356859 205095700 /nfs/dbraw/zinc/09/57/00/205095700.db2.gz QQFMNBIVWYJNNT-UHFFFAOYSA-N 0 0 380.791 3.949 1 0 GHAFRN CCCO[C@@H]1C[C@@H](CCC)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN21 ZINC000040914948 205075563 /nfs/dbraw/zinc/07/55/63/205075563.db2.gz AMVOHPRTAVBEHH-NVXWUHKLSA-N 0 0 394.903 3.871 1 0 GHAFRN C[C@H](c1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc(N)n1)[NH+](C)C ZINC000040954039 205076051 /nfs/dbraw/zinc/07/60/51/205076051.db2.gz YMYBQATUAYDJCL-CYBMUJFWSA-N 0 0 376.439 3.802 1 0 GHAFRN Cc1nc2c(NCc3c(C)cccc3C)cc(-n3ccccc3=O)cn2c1CO ZINC000040976196 205076413 /nfs/dbraw/zinc/07/64/13/205076413.db2.gz TWPYUBYLSOSBJQ-UHFFFAOYSA-N 0 0 388.471 3.515 1 0 GHAFRN CCc1cc2c(cc1O)CC[C@H]1[C@@H]3CC[C@H](NS(C)(=O)=O)[C@@]3(C)CC[C@H]21 ZINC000049073354 205125859 /nfs/dbraw/zinc/12/58/59/205125859.db2.gz PRXDRBAPVYYEMK-OKSLILNBSA-N 0 0 377.550 3.729 1 0 GHAFRN Cc1cc(C(N)=O)nn1-c1cccc(-c2ccccc2OCC(F)(F)F)c1 ZINC000058639061 205176197 /nfs/dbraw/zinc/17/61/97/205176197.db2.gz QIWURTIQNCWINM-UHFFFAOYSA-N 0 0 375.350 3.888 1 0 GHAFRN COc1cccc(CN2CC[C@]2(C)C(=O)Nc2cccc3cccnc32)c1F ZINC000061898809 205183508 /nfs/dbraw/zinc/18/35/08/205183508.db2.gz HFLMBXQCWSUPNI-JOCHJYFZSA-N 0 0 379.435 3.986 3 0 GHAFRN CCOC(=O)C[C@H]1c2cc(-c3cccc(C)c3)ccc2OC(N)=C1C(=O)OCC ZINC000072113778 205304540 /nfs/dbraw/zinc/30/45/40/205304540.db2.gz UDJZLBPJUUWFOP-SFHVURJKSA-N 0 0 395.455 3.825 1 0 GHAFRN CCCCCC(=O)N1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000072134829 205308977 /nfs/dbraw/zinc/30/89/77/205308977.db2.gz IRIYKRHURSPSPD-BHIFYINESA-N 0 0 396.535 3.920 1 0 GHAFRN CCOC(=O)C1=CC[C@H](c2cccs2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000072138517 205309223 /nfs/dbraw/zinc/30/92/23/205309223.db2.gz GYYMWBFKIUKFNQ-QGZVFWFLSA-N 0 0 391.514 3.682 3 0 GHAFRN O=C(Cc1cccnc1)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000015075162 205357853 /nfs/dbraw/zinc/35/78/53/205357853.db2.gz HHNUIAXBEUWWES-UHFFFAOYSA-N 0 0 387.361 3.883 1 0 GHAFRN COc1cc(N)ccc1-c1nc2s[nH]c(-c3ccccc3Cl)c-2c(=O)n1 ZINC000084618454 205395251 /nfs/dbraw/zinc/39/52/51/205395251.db2.gz HJECPNALIZBQRP-UHFFFAOYSA-N 0 0 384.848 3.958 1 0 GHAFRN CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3cc(N)ncc3c2)c1F ZINC000084602977 205395754 /nfs/dbraw/zinc/39/57/54/205395754.db2.gz ARJQWXGFNXYBIQ-UHFFFAOYSA-N 0 0 377.416 3.914 1 0 GHAFRN COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)c2c1ncn2C ZINC000096931673 205579242 /nfs/dbraw/zinc/57/92/42/205579242.db2.gz LWJPSKDGHDBMMV-UHFFFAOYSA-N 0 0 395.415 3.930 1 0 GHAFRN COc1nc(C[S@](=O)c2nc3ccccc3[nH]2)nc2sc3c(c21)CCCC3 ZINC000098083654 205600481 /nfs/dbraw/zinc/60/04/81/205600481.db2.gz QWSNSFNSPJSPHF-HHHXNRCGSA-N 0 0 398.513 3.763 1 0 GHAFRN O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3[C@]12c1ccccc1 ZINC000103226430 205643062 /nfs/dbraw/zinc/64/30/62/205643062.db2.gz LPXNUMDNWPMNAR-HSZRJFAPSA-N 0 0 390.389 3.778 1 0 GHAFRN COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H](C(C)C)[C@@H](CO)[C@@H]3[C@@H](CO)C[C@@H]12 ZINC000169339598 205829636 /nfs/dbraw/zinc/82/96/36/205829636.db2.gz LSEZDZDSBYJFOM-IHWAGLSSSA-N 0 0 380.569 3.891 1 0 GHAFRN O=C(c1ccc(Cl)cc1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 ZINC000059275492 136155727 /nfs/dbraw/zinc/15/57/27/136155727.db2.gz XYLBBBVHECRWQK-UHFFFAOYSA-N 0 0 385.197 3.761 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000095569146 136182058 /nfs/dbraw/zinc/18/20/58/136182058.db2.gz RGAZMNREKIVPIG-UHFFFAOYSA-N 0 0 377.517 3.766 1 0 GHAFRN CC(C)NC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@@H]2CO ZINC000095877849 136182548 /nfs/dbraw/zinc/18/25/48/136182548.db2.gz SDHIXLMLLKTSTH-STZQEDGTSA-N 0 0 397.494 3.784 1 0 GHAFRN CC1(C)[C@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)[C@@](C)(O)C=C[C@H]12 ZINC000066111700 222137188 /nfs/dbraw/zinc/13/71/88/222137188.db2.gz UAOHWDBTPCDCOR-FRXMWESWSA-N 0 0 398.499 3.912 1 0 GHAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccnn1CCc1ccncc1 ZINC000028822045 581098126 /nfs/dbraw/zinc/09/81/26/581098126.db2.gz PPTQGESVTYQYST-UHFFFAOYSA-N 0 0 376.338 3.672 1 0 GHAFRN CN1C(=O)[C@H](NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)Cc2ccccc21 ZINC000013587906 581098793 /nfs/dbraw/zinc/09/87/93/581098793.db2.gz IEKATFIOXMTGEF-MRXNPFEDSA-N 0 0 387.361 3.504 1 0 GHAFRN CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(-c4ccccc4)cc3)[nH]c2C1=O ZINC000012360829 581098816 /nfs/dbraw/zinc/09/88/16/581098816.db2.gz XQDZFNLOOHEVAZ-MOPGFXCFSA-N 0 0 397.482 3.850 1 0 GHAFRN O=C(CCS(=O)(=O)c1ccc(Br)s1)NC1CCCCCC1 ZINC000002465391 203946635 /nfs/dbraw/zinc/94/66/35/203946635.db2.gz VVQDSOKOCUSLRW-UHFFFAOYSA-N 0 0 394.356 3.513 3 0 GHAFRN Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)n1 ZINC000004056786 204025170 /nfs/dbraw/zinc/02/51/70/204025170.db2.gz WNNJYIBGIOAJNQ-YADHBBJMSA-N 0 0 383.451 3.866 3 0 GHAFRN COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)CCC(C)(C)O4 ZINC000004164802 204030651 /nfs/dbraw/zinc/03/06/51/204030651.db2.gz PSHVMULPAKPGLZ-UXHICEINSA-N 0 0 396.439 3.927 1 0 in-vitro GHAFRN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@H]2C=Cc3cc(F)ccc3N21 ZINC000004709536 204066314 /nfs/dbraw/zinc/06/63/14/204066314.db2.gz FODXHQMLJQBXRZ-BDXSIMOUSA-N 0 0 396.805 3.675 2 0 GHAFRN CCC(=O)c1ccc(F)c([C@@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O ZINC000005964803 204160399 /nfs/dbraw/zinc/16/03/99/204160399.db2.gz LSOMQLHUCGDDFP-DGCLKSJQSA-N 0 0 377.803 3.850 1 0 GHAFRN CC(C)(C)[C@H]1CC[C@H](O)[C@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 ZINC000005539418 204138853 /nfs/dbraw/zinc/13/88/53/204138853.db2.gz MAYJEKMDSIJSLX-OJAHFUOMSA-N 0 0 387.520 3.531 1 0 GHAFRN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2cccnc2)c1C ZINC000006802842 204208819 /nfs/dbraw/zinc/20/88/19/204208819.db2.gz QXFPEZGXSHGKMW-UHFFFAOYSA-N 0 0 377.444 3.982 1 0 GHAFRN COc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1 ZINC000006716292 204194644 /nfs/dbraw/zinc/19/46/44/204194644.db2.gz XOXJNDPEHAKNBZ-UHFFFAOYSA-N 0 0 382.367 3.863 1 0 GHAFRN CCCn1c2ccccc2c2cnn(CC(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c(=O)c21 ZINC000006899950 204222436 /nfs/dbraw/zinc/22/24/36/204222436.db2.gz JOTMUDXRYXKKEY-BXWFABGCSA-N 0 0 394.519 3.702 1 0 GHAFRN CCn1nc(C)c2c1n([C@H](C)C(=O)NCCC(C)C)c(=O)cc2-c1ccccc1 ZINC000008605317 204281040 /nfs/dbraw/zinc/28/10/40/204281040.db2.gz JLQPRMPJJJZLKH-QGZVFWFLSA-N 0 0 394.519 3.917 1 0 GHAFRN O=C(Cc1cccnc1)N1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1 ZINC000012307925 204393116 /nfs/dbraw/zinc/39/31/16/204393116.db2.gz GNHLYPHVRKARIL-UHFFFAOYSA-N 0 0 389.455 3.761 1 0 GHAFRN O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C12C[C@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000013136296 204483459 /nfs/dbraw/zinc/48/34/59/204483459.db2.gz SLXWOZJABCTFAL-BRRVFRNMSA-N 0 0 388.851 3.765 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2cc3c(cc2[C@@H](O)c2ccccc2)OCO3)cc1 ZINC000013530415 204492487 /nfs/dbraw/zinc/49/24/87/204492487.db2.gz BBCNXYFGSPLKMK-NRFANRHFSA-N 0 0 382.437 3.568 1 0 GHAFRN COc1cc2c(c(OC)c1OC)OC[C@H]1[C@H](C)Cc3cc4c(cc3[C@@H]21)OCO4 ZINC000028219290 204868407 /nfs/dbraw/zinc/86/84/07/204868407.db2.gz GYWKMWGZHIIXKR-KOXAJKMWSA-N 0 0 384.428 3.774 1 0 GHAFRN CCOc1ccc(F)c([C@H]2C[C@@H]2NC(=O)Nc2cc(Cl)cnn2)c1Cl ZINC000027415948 204854086 /nfs/dbraw/zinc/85/40/86/204854086.db2.gz FHEMHONHOPZATF-ONGXEEELSA-N 0 0 385.226 3.999 1 0 GHAFRN CCOc1ccc(Cl)c([C@@H]2C[C@@H]2NC(=O)Nc2cc(Cl)cnn2)c1F ZINC000027417021 204854127 /nfs/dbraw/zinc/85/41/27/204854127.db2.gz UKROUTQOUAGVLP-KOLCDFICSA-N 0 0 385.226 3.999 1 0 GHAFRN Cc1nn(-c2ccc(C(N)=O)c(NC3CC=CC3)c2)c2c1C(=O)CC(C)(C)C2 ZINC000036479811 205017543 /nfs/dbraw/zinc/01/75/43/205017543.db2.gz ORECSGYHBYSKEA-UHFFFAOYSA-N 0 0 378.476 3.565 1 0 GHAFRN CC[C@H]1[C@@H]2c3ccc([C@@H]4C[C@H](C)C(=O)O4)n3CCC[C@H]2O[C@]12C=C(C)C(=O)O2 ZINC000036471141 205017819 /nfs/dbraw/zinc/01/78/19/205017819.db2.gz KKSONBBSOWYZHQ-NHYIYJRYSA-N 0 0 385.460 3.614 1 0 GHAFRN COc1ccc(-n2nc3c(OCc4ccccc4)nc4ccccc4n3c2=O)cc1 ZINC000040411103 205064816 /nfs/dbraw/zinc/06/48/16/205064816.db2.gz YAHXKLDUARWMJJ-UHFFFAOYSA-N 0 0 398.422 3.621 1 0 GHAFRN Cc1csc(NC(=O)c2cccc(Oc3cccc(S(C)(=O)=O)c3)c2)n1 ZINC000040408005 205064899 /nfs/dbraw/zinc/06/48/99/205064899.db2.gz ZIDIGQGEQKOPFT-UHFFFAOYSA-N 0 0 388.470 3.900 1 0 GHAFRN C[C@@H]1Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000040466341 205065610 /nfs/dbraw/zinc/06/56/10/205065610.db2.gz VVPZQGPKKHRIIF-OAHLLOKOSA-N 0 0 396.454 3.948 1 0 GHAFRN COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)[C@H](C[S@](C)=O)[C@H]3O ZINC000040568179 205067944 /nfs/dbraw/zinc/06/79/44/205067944.db2.gz GPSLASOFQREIGT-WFJKOLBBSA-N 0 0 396.593 3.538 1 0 GHAFRN CCc1ccc(CN(C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)nc1 ZINC000055060550 205140890 /nfs/dbraw/zinc/14/08/90/205140890.db2.gz SYHUJHOJOGHDRO-UHFFFAOYSA-N 0 0 397.548 3.611 1 0 GHAFRN Cc1[nH]c2ccccc2c1C1=C(NCCc2ccc(Cl)cc2)C(=O)N(C)C1=O ZINC000064437005 205188527 /nfs/dbraw/zinc/18/85/27/205188527.db2.gz XXPXVUFLZYULGC-UHFFFAOYSA-N 0 0 393.874 3.672 1 0 GHAFRN COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)n[nH]2)c(C)c1 ZINC000061903483 205183412 /nfs/dbraw/zinc/18/34/12/205183412.db2.gz KSACWUPHXMGVKP-UHFFFAOYSA-N 0 0 397.431 3.672 3 0 GHAFRN CC(C)(C)OC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072100854 205303623 /nfs/dbraw/zinc/30/36/23/205303623.db2.gz PUQOVBCOAMTZQJ-GOSISDBHSA-N 0 0 388.899 3.772 1 0 GHAFRN Nc1cccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccc(F)cc2)c1 ZINC000072126971 205306602 /nfs/dbraw/zinc/30/66/02/205306602.db2.gz YOWALHVOUWTEJE-UHFFFAOYSA-N 0 0 394.431 3.928 1 0 GHAFRN Cc1ccc(NS(=O)(=O)c2cc3c(cc2NC(C)C)NC(=O)CC3)cc1C ZINC000073196706 205355638 /nfs/dbraw/zinc/35/56/38/205355638.db2.gz CAPFLYHFMYQPBI-UHFFFAOYSA-N 0 0 387.505 3.809 1 0 GHAFRN CCOC(=O)/C=C/c1cc(OC)c(OCc2nc(C)c(C)nc2C)c(OC)c1 ZINC000073138653 205355878 /nfs/dbraw/zinc/35/58/78/205355878.db2.gz HETLKKVISALXOV-CMDGGOBGSA-N 0 0 386.448 3.574 1 0 GHAFRN Cc1ccncc1NC(=O)c1ccnc2[nH]c(N3CC[C@@H](c4ccccc4)C3)nc21 ZINC000084655534 205397513 /nfs/dbraw/zinc/39/75/13/205397513.db2.gz QQYKOWGBNFEJPJ-QGZVFWFLSA-N 0 0 398.470 3.908 1 0 GHAFRN CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(Br)c1 ZINC000084669473 205397976 /nfs/dbraw/zinc/39/79/76/205397976.db2.gz AXEJMSSKINGCRJ-QGZVFWFLSA-N 0 0 388.261 3.579 1 0 GHAFRN Cc1ncc(CO)c2c(Nc3ccccn3)c(NCCC(=O)OC(C)(C)C)oc21 ZINC000095572226 205499945 /nfs/dbraw/zinc/49/99/45/205499945.db2.gz RXBOHCRUCADRLY-UHFFFAOYSA-N 0 0 398.463 3.911 1 0 GHAFRN C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC3(OCCO3)[C@]12C ZINC000118917235 205683525 /nfs/dbraw/zinc/68/35/25/205683525.db2.gz RVGDDNFEWDRBHC-IRZCEHGHSA-N 0 0 378.553 3.740 1 0 GHAFRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ncco2)c2ccccc21 ZINC000058590535 136155524 /nfs/dbraw/zinc/15/55/24/136155524.db2.gz DZGXRDBKXVINBB-MRXNPFEDSA-N 0 0 399.454 3.636 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3nccc4ccsc43)CC2)c1 ZINC000095568195 136182082 /nfs/dbraw/zinc/18/20/82/136182082.db2.gz YIZSZJIWBHANCM-UHFFFAOYSA-N 0 0 383.546 3.827 1 0 GHAFRN CC(C)(O)c1ccccc1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000064549899 222073896 /nfs/dbraw/zinc/07/38/96/222073896.db2.gz COPVLLMAPYJNNI-KRWDZBQOSA-N 0 0 388.407 3.517 1 0 GHAFRN Cn1c2cc(-n3ccc(-c4ccc(F)cn4)cc3=O)ccc2c2c1CN(C)CC2 ZINC000064559238 222074135 /nfs/dbraw/zinc/07/41/35/222074135.db2.gz HCKAAUAUOFIPMF-UHFFFAOYSA-N 0 0 388.446 3.518 1 0 GHAFRN CCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cc(-c2ccc3c(c2)OCO3)n1 ZINC000066104690 222137840 /nfs/dbraw/zinc/13/78/40/222137840.db2.gz WXEQUAWEYJXPRJ-UHFFFAOYSA-N 0 0 391.383 3.617 1 0 GHAFRN CC[C@@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000061959809 535926356 /nfs/dbraw/zinc/92/63/56/535926356.db2.gz UTXGNZJIIDYITL-INIZCTEOSA-N 0 0 385.899 3.858 3 0 GHAFRN O=C(C(=O)N1CCCC[C@@H]1C(=O)OCCCc1ccccc1)C1CCCCC1 ZINC000027557944 581101957 /nfs/dbraw/zinc/10/19/57/581101957.db2.gz OQVHIQBTTGZGJM-HXUWFJFHSA-N 0 0 385.504 3.693 1 0 GHAFRN O=c1[nH]c(=O)n(Cc2ccccc2)cc1Cc1cccc(OCc2ccccc2)c1 ZINC000001750552 206291638 /nfs/dbraw/zinc/29/16/38/206291638.db2.gz UFQXGPRRXGOLFU-UHFFFAOYSA-N 0 0 398.462 3.755 1 0 GHAFRN O=c1oc(Nc2ccccc2I)nc2cc(F)ccc12 ZINC000001485519 206384848 /nfs/dbraw/zinc/38/48/48/206384848.db2.gz LFBLTYBFHNMNLH-UHFFFAOYSA-N 0 0 382.132 3.675 1 0 GHAFRN CCCN(CCOC)c1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn21 ZINC000002006257 206396378 /nfs/dbraw/zinc/39/63/78/206396378.db2.gz AKFWXFDMKRSYRD-UHFFFAOYSA-N 0 0 398.507 3.893 1 0 GHAFRN Cc1c(C[NH2+]C[C@@H]2CCCO2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000006806763 206680184 /nfs/dbraw/zinc/68/01/84/206680184.db2.gz OCUMWZLSHQKXED-INIZCTEOSA-N 0 0 394.874 3.913 1 0 GHAFRN Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000013812816 207000664 /nfs/dbraw/zinc/00/06/64/207000664.db2.gz TZUKXDRCVJCLLL-UHFFFAOYSA-N 0 0 381.379 3.665 1 0 GHAFRN COC(=O)CCC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O ZINC000013860465 207002144 /nfs/dbraw/zinc/00/21/44/207002144.db2.gz QDDNQNMCCBGAGL-KRWDZBQOSA-N 0 0 388.826 3.981 1 0 GHAFRN CNC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=N[C@H]1CCC(=O)OC ZINC000013860470 207002566 /nfs/dbraw/zinc/00/25/66/207002566.db2.gz GBLHSUPBJDLBCT-KRWDZBQOSA-N 0 0 387.842 3.901 1 0 GHAFRN COCC(COC)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC000013861679 207003003 /nfs/dbraw/zinc/00/30/03/207003003.db2.gz RRNTXALDXPBMJR-UHFFFAOYSA-N 0 0 397.544 3.509 1 0 GHAFRN COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)C)O4 ZINC000017138780 207086858 /nfs/dbraw/zinc/08/68/58/207086858.db2.gz DTFARBHXORYQBF-MAODMQOUSA-N 0 0 396.439 3.783 1 0 GHAFRN COc1cccc([C@@H]2CCCN2c2nncc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000012074899 207279175 /nfs/dbraw/zinc/27/91/75/207279175.db2.gz OTXPKQMAUZGTRO-SFHVURJKSA-N 0 0 376.416 3.617 1 0 GHAFRN CC(C)(C)C(=O)c1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000025973985 207307490 /nfs/dbraw/zinc/30/74/90/207307490.db2.gz PVGYPMPWQDSXBZ-UHFFFAOYSA-N 0 0 390.487 3.754 1 0 GHAFRN CN(C)C(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(C(=O)N(C)C)cc34)c2c1 ZINC000028710097 207346493 /nfs/dbraw/zinc/34/64/93/207346493.db2.gz KOQPMVDLIPXBTL-UHFFFAOYSA-N 0 0 388.471 3.644 1 0 GHAFRN Cc1cc(C(F)(F)F)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)n1 ZINC000028647322 207347176 /nfs/dbraw/zinc/34/71/76/207347176.db2.gz VIFULZIJWNLPMR-CYBMUJFWSA-N 0 0 375.322 3.861 1 0 GHAFRN C[C@@]1(Cc2nc(C(=O)Nc3ccccc3N)cs2)Cc2ccccc2C1=O ZINC000028824228 207349826 /nfs/dbraw/zinc/34/98/26/207349826.db2.gz KWWRATGDZQZNQI-NRFANRHFSA-N 0 0 377.469 3.965 1 0 GHAFRN O=C(c1ccco1)c1c(C(F)(F)F)nc2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000028861835 207350150 /nfs/dbraw/zinc/35/01/50/207350150.db2.gz LYUHMKBXRGAIQB-UHFFFAOYSA-N 0 0 376.212 3.730 1 0 GHAFRN O=C1NC(=S)SC1=Cc1ccc2c(c1)N(Cc1ccccc1)C(=O)CO2 ZINC000028883126 207351746 /nfs/dbraw/zinc/35/17/46/207351746.db2.gz KTQTXGKMUFUSOE-SXGWCWSVSA-N 0 0 382.466 3.941 1 0 GHAFRN Clc1cccc(N2CCN(CN3CCN(c4cccc(Cl)c4)C3)C2)c1 ZINC000029132158 207354589 /nfs/dbraw/zinc/35/45/89/207354589.db2.gz WZQHTEKIQCCWFM-UHFFFAOYSA-N 0 0 377.319 3.810 1 0 GHAFRN CC(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000029568200 207365897 /nfs/dbraw/zinc/36/58/97/207365897.db2.gz KLENGFGZSUIESQ-NRFANRHFSA-N 0 0 393.487 3.573 1 0 GHAFRN CCOC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc(O)c2)N1C(=O)CC ZINC000049808150 207713981 /nfs/dbraw/zinc/71/39/81/207713981.db2.gz DWLDIEDANWVQTK-SIKLNZKXSA-N 0 0 392.455 3.689 1 0 GHAFRN C=COC[C@@H]1CN2[C@H](CC[C@@H](C)[C@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000064581861 207804521 /nfs/dbraw/zinc/80/45/21/207804521.db2.gz SPKPHTNWIHVLNS-ZFVVBOAOSA-N 0 0 380.282 3.676 1 0 GHAFRN CCNc1nc2sc(-c3cccc([C@H](C)NC(C)=O)c3)nc2c2c1ncn2C ZINC000066258977 207880646 /nfs/dbraw/zinc/88/06/46/207880646.db2.gz UOVILLRJCVEGLB-NSHDSACASA-N 0 0 394.504 3.874 1 0 GHAFRN CCn1cc2[nH]c3c(ccc(F)c3-c3cc(OC)ccc3OC)c(N)c-2c1=O ZINC000071281977 207932982 /nfs/dbraw/zinc/93/29/82/207932982.db2.gz RFNXMSGJCRYTIU-UHFFFAOYSA-N 0 0 381.407 3.616 1 0 GHAFRN Cc1cc(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1CCC1CCOCC1 ZINC000095552646 208232763 /nfs/dbraw/zinc/23/27/63/208232763.db2.gz UINFVSKHZGEKBC-UHFFFAOYSA-N 0 0 398.547 3.672 1 0 GHAFRN O=C(NC1CCCCC1)[C@@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 ZINC000095567565 208234149 /nfs/dbraw/zinc/23/41/49/208234149.db2.gz MTBZEUGWAYVYPK-QHCPKHFHSA-N 0 0 392.499 3.640 3 0 GHAFRN CCc1cc(CC)n2nc(-c3ccc(OC)cc3)c(CC(=O)N(CC)CC)c2n1 ZINC000095587230 208236507 /nfs/dbraw/zinc/23/65/07/208236507.db2.gz URABXQFDHFUUOT-UHFFFAOYSA-N 0 0 394.519 3.941 1 0 GHAFRN Cc1cccc(C)c1NC(=O)[C@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000095600440 208238134 /nfs/dbraw/zinc/23/81/34/208238134.db2.gz VTXYMYAOWPGATR-JOCHJYFZSA-N 0 0 390.439 3.997 3 0 GHAFRN Cc1cccc(C)c1NC(=O)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000095600439 208238145 /nfs/dbraw/zinc/23/81/45/208238145.db2.gz VTXYMYAOWPGATR-QFIPXVFZSA-N 0 0 390.439 3.997 3 0 GHAFRN COc1ccc([C@H]2NC(=S)Nc3c4cc(C)ccc4oc(=O)c32)cc1OC ZINC000096931724 208329562 /nfs/dbraw/zinc/32/95/62/208329562.db2.gz YYOWYSWJEKFMLF-QGZVFWFLSA-N 0 0 382.441 3.508 1 0 GHAFRN CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1c-3nc2ccccc2c1C1CC1 ZINC000096934895 208331851 /nfs/dbraw/zinc/33/18/51/208331851.db2.gz POAMNBGUHVFVBA-PKTZIBPZSA-N 0 0 392.430 3.726 1 0 GHAFRN C=C(Br)C(=O)Nc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1 ZINC000096905874 208327134 /nfs/dbraw/zinc/32/71/34/208327134.db2.gz RMWKMDBZKJNWSF-WQLSENKSSA-N 0 0 381.251 3.590 1 0 GHAFRN COc1ccc(N2C=C(c3ccccc3)[C@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098084932 208367463 /nfs/dbraw/zinc/36/74/63/208367463.db2.gz GTXQUBAOHMTCML-MSOLQXFVSA-N 0 0 375.457 3.810 1 0 GHAFRN CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](C)O ZINC000098068836 208367750 /nfs/dbraw/zinc/36/77/50/208367750.db2.gz AAAPQENSPIDYGR-UJELBPEGSA-N 0 0 378.553 3.930 1 0 GHAFRN O=C(CC(=O)Nn1c(-c2ccccc2)csc1=S)Nc1nccs1 ZINC000101626399 208395618 /nfs/dbraw/zinc/39/56/18/208395618.db2.gz FGHNOHHQODQOOT-UHFFFAOYSA-N 0 0 376.488 3.501 1 0 GHAFRN FC(F)Oc1ccc(-c2nnc3cncc(N4CC(c5ccccc5)C4)n32)cc1 ZINC000103303081 208424711 /nfs/dbraw/zinc/42/47/11/208424711.db2.gz RLJNNQICWGMQFO-UHFFFAOYSA-N 0 0 393.397 3.997 1 0 GHAFRN C/C1=C\CC/C(C(=O)[O-])=C\CC/C(C)=C/[C@@H]2OC(=O)[C@@H](C[NH+](C)C)[C@@H]2CC1 ZINC000137835947 208480461 /nfs/dbraw/zinc/48/04/61/208480461.db2.gz HRPBIJBOFQXOTL-XPOGCYIGSA-N 0 0 375.509 3.964 1 0 GHAFRN Cc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)o1 ZINC000004101520 208536554 /nfs/dbraw/zinc/53/65/54/208536554.db2.gz WWXLJKOHVIOUGV-FGZHOGPDSA-N 0 0 386.451 3.741 3 0 GHAFRN Cc1ccc(NC(=S)NN2C(=O)[C@H]3[C@H](C2=O)[C@@H]2C=C(C)[C@H]3C[C@@H]2C(C)C)cc1 ZINC000195372717 208810087 /nfs/dbraw/zinc/81/00/87/208810087.db2.gz CHSQQRPCGWSHKH-FVVUREQNSA-N 0 0 397.544 3.666 1 0 GHAFRN Cn1c(C(=O)O[C@H](C(=O)NC2CCCC2)c2ccncc2)cc2sccc21 ZINC000004093171 220680673 /nfs/dbraw/zinc/68/06/73/220680673.db2.gz NERJLFXZYXRXSA-SFHVURJKSA-N 0 0 383.473 3.592 3 0 GHAFRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-n2cccc2)c2ccccc21 ZINC000058534758 136155525 /nfs/dbraw/zinc/15/55/25/136155525.db2.gz YOWPYZSCODTISF-GOSISDBHSA-N 0 0 397.482 3.771 1 0 GHAFRN CCCS(=O)(=O)c1ccc2[nH]c([C@@H]3CCC(=O)N(c4ccccc4)C3)nc2c1 ZINC000095580638 136182292 /nfs/dbraw/zinc/18/22/92/136182292.db2.gz UKVAFBPSNSRCEM-OAHLLOKOSA-N 0 0 397.500 3.657 1 0 GHAFRN CCOC(=O)c1ccc(-c2csc3c2oc(N2CCOCC2)cc3=O)cc1 ZINC000101661755 136189688 /nfs/dbraw/zinc/18/96/88/136189688.db2.gz VRBZWFAUTHKRBB-UHFFFAOYSA-N 0 0 385.441 3.535 1 0 in-vitro GHAFRN CCCc1cc(=O)oc2c3c(c(C(=O)CC(C)C)c(O)c12)O[C@@H](C(C)(C)O)C3 ZINC000014586018 571712868 /nfs/dbraw/zinc/71/28/68/571712868.db2.gz KYKWIMFWAYVDJI-OAHLLOKOSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(-n3ccnn3)ccc12 ZINC000005891741 581094108 /nfs/dbraw/zinc/09/41/08/581094108.db2.gz WQYZLVLXRMCDBT-UHFFFAOYSA-N 0 0 388.475 3.994 1 0 GHAFRN CCCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@H]1C)OCO3 ZINC000001544162 206385933 /nfs/dbraw/zinc/38/59/33/206385933.db2.gz XYVLGNOBBLKALZ-CYBMUJFWSA-N 0 0 380.448 3.636 1 0 GHAFRN CCOC(=O)c1cc(Br)c(-c2onc(C)c2Br)[nH]1 ZINC000001653947 206388943 /nfs/dbraw/zinc/38/89/43/206388943.db2.gz BLEMAXQWYAHAIN-UHFFFAOYSA-N 0 0 378.020 3.680 1 0 GHAFRN Cc1ccccc1O[C@@H](C)C(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000001863324 206393837 /nfs/dbraw/zinc/39/38/37/206393837.db2.gz HGPVDLJIOFSPSP-DJJJIMSYSA-N 0 0 390.892 3.721 1 0 GHAFRN CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1OC ZINC000002915496 206446080 /nfs/dbraw/zinc/44/60/80/206446080.db2.gz WQCZCXOQHDLQLB-JKSUJKDBSA-N 0 0 385.855 3.880 1 0 GHAFRN O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N1Cc1cccs1 ZINC000004903021 206568009 /nfs/dbraw/zinc/56/80/09/206568009.db2.gz DROPNUUDEQPEDD-FQEVSTJZSA-N 0 0 376.481 3.804 3 0 GHAFRN CCc1ccc(-n2cnc3c(sc4nccc(N(C)CCOC)c43)c2=O)cc1 ZINC000013676171 206989425 /nfs/dbraw/zinc/98/94/25/206989425.db2.gz ITQCYVNOJRCWRN-UHFFFAOYSA-N 0 0 394.500 3.640 1 0 GHAFRN CCOC(=O)[C@]1(CC)Oc2ccccc2C(c2ccc(OC)cc2)=C1C(=O)OC ZINC000013813495 207000260 /nfs/dbraw/zinc/00/02/60/207000260.db2.gz AIJVBJZCRHFOKD-HSZRJFAPSA-N 0 0 396.439 3.774 3 0 GHAFRN CCO[C@@H](C)n1c2ccccc2nc1[S@](=O)Cc1ncc(C)c(OC)c1C ZINC000013820814 207000537 /nfs/dbraw/zinc/00/05/37/207000537.db2.gz AUTHKZLYTZFVJC-QZXCRCNTSA-N 0 0 387.505 3.920 1 0 GHAFRN CCO[C@H](C)n1c2ccccc2nc1[S@@](=O)Cc1ncc(C)c(OC)c1C ZINC000013820812 207001091 /nfs/dbraw/zinc/00/10/91/207001091.db2.gz AUTHKZLYTZFVJC-YVORESIASA-N 0 0 387.505 3.920 1 0 GHAFRN CCCCc1ccc2c(ccc(OC)c2C(F)(F)F)c1C(=O)N(C)CC(N)=O ZINC000013823607 207001329 /nfs/dbraw/zinc/00/13/29/207001329.db2.gz VYLXSGLAQQDJLF-UHFFFAOYSA-N 0 0 396.409 3.767 1 0 GHAFRN CCN(CC)c1ccccc1C[S@@](=O)c1nc2c(n1-c1cccnc1)CCC2 ZINC000013746336 206997634 /nfs/dbraw/zinc/99/76/34/206997634.db2.gz ZBKNEWUUKUILRS-NDEPHWFRSA-N 0 0 394.544 3.910 1 0 GHAFRN Cc1cc(C)c(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)c(=O)[nH]1 ZINC000015070433 207043759 /nfs/dbraw/zinc/04/37/59/207043759.db2.gz SERINZNFZZYLNF-IBGZPJMESA-N 0 0 390.487 3.602 3 0 GHAFRN C[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026005813 207308624 /nfs/dbraw/zinc/30/86/24/207308624.db2.gz VHXNDSDIDKXEFR-QZTJIDSGSA-N 0 0 396.249 3.520 1 0 GHAFRN CCC[C@@](O)(c1ccc(F)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026011325 207309088 /nfs/dbraw/zinc/30/90/88/207309088.db2.gz FWGWIPGFWWGVHW-WOJBJXKFSA-N 0 0 389.858 3.646 1 0 GHAFRN COc1cccc(Cn2cnc3c2c(=O)n(-c2ccccc2)c2ncccc32)c1 ZINC000026733502 207318158 /nfs/dbraw/zinc/31/81/58/207318158.db2.gz GWVKOGZGOFSCMZ-UHFFFAOYSA-N 0 0 382.423 3.792 1 0 GHAFRN CCOC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027093797 207322664 /nfs/dbraw/zinc/32/26/64/207322664.db2.gz MQIRIXQLZCCHDJ-FQEVSTJZSA-N 0 0 385.895 3.697 1 0 GHAFRN COC(=O)Nc1nc2cc(C(=O)c3cc(C(=O)C(F)(F)F)cs3)ccc2[nH]1 ZINC000027419248 207325637 /nfs/dbraw/zinc/32/56/37/207325637.db2.gz RZXMCOSXLCPHLU-UHFFFAOYSA-N 0 0 397.334 3.779 1 0 GHAFRN CC(C)c1ncc(CO)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000028569384 207345052 /nfs/dbraw/zinc/34/50/52/207345052.db2.gz HOFKVRVYUYRLOR-UHFFFAOYSA-N 0 0 382.304 3.800 1 0 GHAFRN COc1ccc(-c2nn3c(nc4ccccc4c3=O)n2Cc2ccccc2)cc1 ZINC000028713694 207347230 /nfs/dbraw/zinc/34/72/30/207347230.db2.gz YJGRJQAZHRMZGG-UHFFFAOYSA-N 0 0 382.423 3.768 1 0 GHAFRN O=S1(=O)[N-]c2ccccc2N1C1CC[NH+]([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000028381380 207340928 /nfs/dbraw/zinc/34/09/28/207340928.db2.gz PPDCAWVGWRJLLP-YQVWRLOYSA-N 0 0 389.565 3.987 1 0 GHAFRN CCNC(=O)OCc1cn2c(c1COC(=O)NCC)-c1ccccc1C[C@@H]2C ZINC000028760582 207348783 /nfs/dbraw/zinc/34/87/83/207348783.db2.gz IVBKMWBHXLHQPR-AWEZNQCLSA-N 0 0 385.464 3.764 1 0 GHAFRN C[C@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1 ZINC000028827166 207350130 /nfs/dbraw/zinc/35/01/30/207350130.db2.gz RUWUPJIBRSPFBB-VIFPVBQESA-N 0 0 384.848 3.842 1 0 GHAFRN CCC(O)(CC)C(=O)NCc1ccc(-c2cccc(F)c2C(=O)OC)cc1F ZINC000029128745 207355756 /nfs/dbraw/zinc/35/57/56/207355756.db2.gz BRSJKNBMTBOEAF-UHFFFAOYSA-N 0 0 391.414 3.586 1 0 GHAFRN O=C(NCCCn1c2ccccc2c2c1[C@H]1CCCCN1CC2=O)c1ccco1 ZINC000029217229 207357129 /nfs/dbraw/zinc/35/71/29/207357129.db2.gz QCCCTOUYTJLRDK-GOSISDBHSA-N 0 0 391.471 3.778 1 0 GHAFRN COc1cc2ncnc(Oc3ccc4c(cccc4C(N)=O)c3)c2cc1OC ZINC000029134619 207357440 /nfs/dbraw/zinc/35/74/40/207357440.db2.gz ZYYNXHSAMWEIKK-UHFFFAOYSA-N 0 0 375.384 3.691 1 0 GHAFRN Cc1csc(-c2cc(-c3ccncn3)c3n(c2=O)CCCc2ccncc2-3)n1 ZINC000029405914 207361868 /nfs/dbraw/zinc/36/18/68/207361868.db2.gz GAMSSMTVVVDEJR-UHFFFAOYSA-N 0 0 387.468 3.745 1 0 GHAFRN CS(=O)(=O)Nc1ccc(-c2cc(C(F)F)nn2-c2ccccc2F)cc1 ZINC000029410216 207362755 /nfs/dbraw/zinc/36/27/55/207362755.db2.gz LEUKEKWTLOJJAZ-UHFFFAOYSA-N 0 0 381.379 3.988 1 0 GHAFRN Cc1ccc2c(c1)-n1c(=O)c3ccc(F)cc3nc1[C@H](Cc1ccccc1)NC2=O ZINC000036389188 207528594 /nfs/dbraw/zinc/52/85/94/207528594.db2.gz AXOFJVCZPYZCHM-FQEVSTJZSA-N 0 0 399.425 3.860 3 0 GHAFRN CNC(=O)CC1=C(C)/C(=C/c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc21 ZINC000043012227 207627068 /nfs/dbraw/zinc/62/70/68/207627068.db2.gz IMIFAHWZEIDMBV-ZDLGFXPLSA-N 0 0 385.460 3.693 1 0 GHAFRN O=C(Nc1cc(-c2ccccc2)on1)C1CCC2(CC1)OC(=O)c1cccnc12 ZINC000045354220 207655615 /nfs/dbraw/zinc/65/56/15/207655615.db2.gz RLCDWIQGBPVXHB-UHFFFAOYSA-N 0 0 389.411 3.931 1 0 GHAFRN Cn1cc(-c2ccc(F)c(-c3ccccc3OC(F)(F)F)c2)nc1C(N)=O ZINC000058581110 207781984 /nfs/dbraw/zinc/78/19/84/207781984.db2.gz ILSCMGRMHXUYIR-UHFFFAOYSA-N 0 0 379.313 3.891 1 0 GHAFRN C[C@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc21)c1ccc2ccccc2c1 ZINC000058581995 207782164 /nfs/dbraw/zinc/78/21/64/207782164.db2.gz MKYUDVKGSDGIOZ-SGTLLEGYSA-N 0 0 380.469 3.833 1 0 GHAFRN Brc1ccc(-c2cc3c4nnnn4cnc3n2-c2ccccc2)cc1 ZINC000064453449 207799760 /nfs/dbraw/zinc/79/97/60/207799760.db2.gz UQXDGUAKXQVFRI-UHFFFAOYSA-N 0 0 391.232 3.893 1 0 GHAFRN CC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4ccccc4)CC3)n2)c1 ZINC000072107985 207970879 /nfs/dbraw/zinc/97/08/79/207970879.db2.gz HETZDFDWUQFWLT-UHFFFAOYSA-N 0 0 388.475 3.958 1 0 GHAFRN Clc1cc2c(cc1CN[C@H]1CCCc3c1cnn3-c1ccccn1)OCO2 ZINC000015064022 208036447 /nfs/dbraw/zinc/03/64/47/208036447.db2.gz CQNWTJYEOOITMW-INIZCTEOSA-N 0 0 382.851 3.817 1 0 GHAFRN O=C(Nc1c(F)cc(-c2cccc(C(F)(F)F)c2)cc1F)c1no[nH]c1=O ZINC000082151669 208081405 /nfs/dbraw/zinc/08/14/05/208081405.db2.gz ZEODWPRNPIYOIX-UHFFFAOYSA-N 0 0 385.248 3.992 1 0 GHAFRN COc1cc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)cc(OC)c1OC ZINC000095574991 208234157 /nfs/dbraw/zinc/23/41/57/208234157.db2.gz XMHMHDRYLITYLT-UHFFFAOYSA-N 0 0 383.473 3.872 1 0 GHAFRN Oc1ccc(-c2nnc(-c3cc(Br)c(Br)[nH]3)o2)cc1 ZINC000095573634 208234324 /nfs/dbraw/zinc/23/43/24/208234324.db2.gz JUJKKXYDIIEVRW-UHFFFAOYSA-N 0 0 385.015 3.962 1 0 GHAFRN N=C(Nc1ccc(-c2ccc(NC(=N)c3cnccn3)cc2)cc1)c1cnccn1 ZINC000095593117 208235912 /nfs/dbraw/zinc/23/59/12/208235912.db2.gz COQJQPYQZUAADF-UHFFFAOYSA-N 0 0 394.442 3.809 1 0 GHAFRN O=C(c1[nH]c2nc[nH]c(=O)c2c1-c1cccc(Br)n1)c1ccccc1 ZINC000096921516 208327896 /nfs/dbraw/zinc/32/78/96/208327896.db2.gz GFFZFOYGGZCMET-UHFFFAOYSA-N 0 0 395.216 3.719 1 0 GHAFRN COC(=O)c1ccc(Nc2s[n-]c(=O)c2C(=[NH2+])NCC2CCCCC2)cc1 ZINC000101087875 208386367 /nfs/dbraw/zinc/38/63/67/208386367.db2.gz DYTOKIJZRBPJGY-UHFFFAOYSA-N 0 0 388.493 3.874 1 0 GHAFRN Cc1c(Cl)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O ZINC000095565340 136182108 /nfs/dbraw/zinc/18/21/08/136182108.db2.gz XKIFZNSPGUATBL-UHFFFAOYSA-N 0 0 381.234 3.816 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3cccc4cnccc43)CC2)c1 ZINC000095569740 136182190 /nfs/dbraw/zinc/18/21/90/136182190.db2.gz WTLPAHLCPLLTOG-UHFFFAOYSA-N 0 0 377.517 3.766 1 0 GHAFRN O=c1[nH]ccc2c(Cc3nnc4ccc(-c5cccc(Cl)c5)nn43)cccc12 ZINC000072318119 222226461 /nfs/dbraw/zinc/22/64/61/222226461.db2.gz BKHHUIZXAUHVMN-UHFFFAOYSA-N 0 0 387.830 3.877 1 0 GHAFRN C[C@H]1C[C@H](C)[C@H]2N(C1)c1cc(Cl)ccc1CC21C(=O)OC(C)(C)OC1=O ZINC000004915539 570418043 /nfs/dbraw/zinc/41/80/43/570418043.db2.gz FYAHIASZIXZWBI-MQIPJXDCSA-N 0 0 377.868 3.570 2 0 GHAFRN O=C(c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc21)N1CCOCC1 ZINC000026827632 581101862 /nfs/dbraw/zinc/10/18/62/581101862.db2.gz SQEDCVWGIGZFBX-UHFFFAOYSA-N 0 0 386.455 3.552 1 0 GHAFRN Clc1ccc(-c2noc(CN(Cc3ccccn3)C[C@@H]3CCCO3)n2)cc1 ZINC000055153856 209113857 /nfs/dbraw/zinc/11/38/57/209113857.db2.gz QWYYCQRNCDZZPS-SFHVURJKSA-N 0 0 384.867 3.966 3 0 GHAFRN O=C1O[C@@](O)(c2ccccc2)C(Cc2ccccc2)=C1c1ccc2c(c1)OCO2 ZINC000006574969 206295147 /nfs/dbraw/zinc/29/51/47/206295147.db2.gz SDCJODJPKKXXTB-DEOSSOPVSA-N 0 0 386.403 3.814 1 0 GHAFRN C[C@](O)(c1ccc(Cl)cc1)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1 ZINC000026006997 206302604 /nfs/dbraw/zinc/30/26/04/206302604.db2.gz ZDWHKJSIKBFIEN-OALUTQOASA-N 0 0 377.271 3.985 1 0 GHAFRN CO[C@@H](C(=O)O[C@@H]1C=C[C@]2(CC1)c1ccccc1N(C)C2=O)c1ccccc1 ZINC000001654036 206388614 /nfs/dbraw/zinc/38/86/14/206388614.db2.gz COUDXZSBSIFFMV-LLBVYWAGSA-N 0 0 377.440 3.550 1 0 GHAFRN Cc1cc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)no1 ZINC000004162850 206504328 /nfs/dbraw/zinc/50/43/28/206504328.db2.gz RGYRBTBTYZZCFE-MRXNPFEDSA-N 0 0 383.429 3.785 3 0 GHAFRN CCN(CC)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000004800101 206557050 /nfs/dbraw/zinc/55/70/50/206557050.db2.gz CEGHARKYJREUAY-IRLDBZIGSA-N 0 0 396.487 3.666 3 0 GHAFRN O=C1[C@@H](c2ccccc2)N(c2ccc(O)cc2)C(=S)N1c1ccc(O)cc1 ZINC000013680186 206989129 /nfs/dbraw/zinc/98/91/29/206989129.db2.gz KSBHTCBWYXIRND-LJQANCHMSA-N 0 0 376.437 3.977 1 0 GHAFRN CC(=O)Nc1ccc(SC[C@@H](c2ccccc2)N2CCN(C)CCC2=O)cc1 ZINC000013830926 207001402 /nfs/dbraw/zinc/00/14/02/207001402.db2.gz VIPILSXZOKETES-NRFANRHFSA-N 0 0 397.544 3.643 1 0 GHAFRN C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 ZINC000014968224 207035082 /nfs/dbraw/zinc/03/50/82/207035082.db2.gz HWLLYFXDDGGHOE-BCSUUIJWSA-N 0 0 394.315 3.827 1 0 investigational GHAFRN Cc1oc(-c2cccc(C)c2)nc1C[S@](=O)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000015944474 207068462 /nfs/dbraw/zinc/06/84/62/207068462.db2.gz JJFLGASVUXWXAR-FICWAZMISA-N 0 0 388.533 3.712 1 0 GHAFRN CC1=C(C(=O)Nc2ccccc2C(=O)N[C@H](C)Cc2ccco2)SCCO1 ZINC000020919658 207220000 /nfs/dbraw/zinc/22/00/00/207220000.db2.gz WKNMFRVBZZWVEN-CYBMUJFWSA-N 0 0 386.473 3.574 1 0 GHAFRN CCC[C@@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026011339 207308109 /nfs/dbraw/zinc/30/81/09/207308109.db2.gz FWGWIPGFWWGVHW-UXHICEINSA-N 0 0 389.858 3.646 1 0 GHAFRN COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@H]1C=C2 ZINC000027524817 207325214 /nfs/dbraw/zinc/32/52/14/207325214.db2.gz WOFLIALTGRIWNK-WTOYTKOKSA-N 0 0 386.444 3.524 1 0 GHAFRN CCc1nc(C(F)(F)F)ncc1C(=O)Nc1c(C)cccc1C(=O)NC(C)C ZINC000028527974 207344109 /nfs/dbraw/zinc/34/41/09/207344109.db2.gz SBUDUJISMJYINW-UHFFFAOYSA-N 0 0 394.397 3.757 1 0 GHAFRN CNC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(S(C)(=O)=O)cc2)c1N ZINC000028703727 207346155 /nfs/dbraw/zinc/34/61/55/207346155.db2.gz PEAZARIFDFJHCX-UHFFFAOYSA-N 0 0 398.459 3.505 1 0 GHAFRN COc1cc(O)c2c(=O)cc(-c3cccc(I)c3)[nH]c2c1 ZINC000028458375 207342687 /nfs/dbraw/zinc/34/26/87/207342687.db2.gz PWCPZYXJGWWLPN-UHFFFAOYSA-N 0 0 393.180 3.514 1 0 GHAFRN COc1cc(/C=C2\CCCn3c(=O)c4ccc(F)cc4nc32)cc(OC)c1O ZINC000028568300 207343142 /nfs/dbraw/zinc/34/31/42/207343142.db2.gz LALJCAXBPQLOPH-MDWZMJQESA-N 0 0 382.391 3.593 1 0 GHAFRN C[C@@H]1CNc2c3c(ncc2O1)sc1c3ncn(-c2ccc(Cl)cc2)c1=O ZINC000028827170 207349353 /nfs/dbraw/zinc/34/93/53/207349353.db2.gz LFUPTQIEOBBAJE-SECBINFHSA-N 0 0 384.848 3.842 1 0 in-vitro GHAFRN CCOC(=O)N1CCC(c2nccn2Cc2ccccn2)(c2ccccc2)CC1 ZINC000028823760 207349643 /nfs/dbraw/zinc/34/96/43/207349643.db2.gz PHGVYKVBWHVXMK-UHFFFAOYSA-N 0 0 390.487 3.865 1 0 GHAFRN COc1ccc(-c2snnc2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000028820896 207349907 /nfs/dbraw/zinc/34/99/07/207349907.db2.gz JYVZAOWJYZKTKC-UHFFFAOYSA-N 0 0 388.445 3.915 1 0 GHAFRN O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1cccnc1 ZINC000028948871 207350765 /nfs/dbraw/zinc/35/07/65/207350765.db2.gz VYWADYKBCDKIHN-UHFFFAOYSA-N 0 0 391.814 3.784 1 0 GHAFRN Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028889744 207351066 /nfs/dbraw/zinc/35/10/66/207351066.db2.gz IQOMPPZZBVEULS-UHFFFAOYSA-N 0 0 376.247 3.986 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2nc(Cl)cc(NCc3ccc(F)cc3)n2)cc1 ZINC000029131952 207356762 /nfs/dbraw/zinc/35/67/62/207356762.db2.gz SWXNCGKRMSZERA-UHFFFAOYSA-N 0 0 391.855 3.952 1 0 GHAFRN COc1ccc(-c2csc([C@@H](NC(C)=O)c3ccc(F)c(F)c3)n2)cn1 ZINC000061908135 207790601 /nfs/dbraw/zinc/79/06/01/207790601.db2.gz XALSOHCBHXTCTO-KRWDZBQOSA-N 0 0 375.400 3.717 3 0 GHAFRN COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(=O)n(C5CC5)cc-4[nH]c32)c1 ZINC000071280461 207932374 /nfs/dbraw/zinc/93/23/74/207932374.db2.gz DXSIUJMZGGYSFI-UHFFFAOYSA-N 0 0 393.418 3.759 1 0 GHAFRN CN1C(=N)N[C@@](c2cccc(-c3cccc(Cl)c3)c2)(c2ccccn2)C1=O ZINC000084605141 208092946 /nfs/dbraw/zinc/09/29/46/208092946.db2.gz GEFNKCOBIWZLQI-NRFANRHFSA-N 0 0 376.847 3.642 1 0 GHAFRN O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccccc1 ZINC000084619708 208093267 /nfs/dbraw/zinc/09/32/67/208093267.db2.gz RGSCOOLGNSNAHB-ZROIWOOFSA-N 0 0 376.231 3.844 1 0 GHAFRN COc1cc(C(=O)N[C@H]2COc3ccc(Cl)cc32)ccc1-n1cnc(C)c1 ZINC000084587760 208093664 /nfs/dbraw/zinc/09/36/64/208093664.db2.gz NACOKEPGPVIORY-INIZCTEOSA-N 0 0 383.835 3.706 1 0 GHAFRN Cc1c(=O)c2ccc(Cl)cc2[nH]c1-c1ccc(OCCN2CCOCC2)cc1 ZINC000084653413 208096180 /nfs/dbraw/zinc/09/61/80/208096180.db2.gz DCGRFDQYRZOUID-UHFFFAOYSA-N 0 0 398.890 3.868 1 0 GHAFRN CC[C@@H](C)N1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl ZINC000095565104 208232572 /nfs/dbraw/zinc/23/25/72/208232572.db2.gz RBDMCBLYUAKCSJ-ZWNOBZJWSA-N 0 0 376.806 3.765 1 0 GHAFRN O=C(NC1CCCCC1)[C@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 ZINC000095569043 208234057 /nfs/dbraw/zinc/23/40/57/208234057.db2.gz IZKPAUOUOPSSOY-JOCHJYFZSA-N 0 0 378.472 3.598 3 0 GHAFRN COc1ccc(-c2c3[nH]c(=O)n(C)c3cc3cc(OC)c(OC)c(OC)c32)cc1 ZINC000096938728 208332027 /nfs/dbraw/zinc/33/20/27/208332027.db2.gz XHKQIODRKWSJAS-UHFFFAOYSA-N 0 0 394.427 3.721 1 0 GHAFRN Cc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)cc1 ZINC000100705081 208379302 /nfs/dbraw/zinc/37/93/02/208379302.db2.gz OTAWIZZYIJLAMK-UHFFFAOYSA-N 0 0 378.457 3.818 1 0 GHAFRN COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1F)c1ccco1 ZINC000103192500 208417896 /nfs/dbraw/zinc/41/78/96/208417896.db2.gz XCURPBQCJRRWMS-HNNXBMFYSA-N 0 0 376.248 3.665 1 0 GHAFRN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCCCC1)S2 ZINC000169702220 208478576 /nfs/dbraw/zinc/47/85/76/208478576.db2.gz QHABOKZRANRPND-ZJTDPSCFSA-N 0 0 387.549 3.851 1 0 GHAFRN COc1ncnc(Cn2cc(-c3cnn(C(F)F)c3)c3ncc(C)cc32)c1C ZINC000169351324 208732188 /nfs/dbraw/zinc/73/21/88/208732188.db2.gz DHNPIZUCPDCRIA-UHFFFAOYSA-N 0 0 384.390 3.759 1 0 GHAFRN O=C1C(=O)N(c2cccc3c2CCCC3)CCN1Cc1ccc(F)cc1Cl ZINC000095565602 136182045 /nfs/dbraw/zinc/18/20/45/136182045.db2.gz PLNPDJOUHGJTFJ-UHFFFAOYSA-N 0 0 386.854 3.733 1 0 GHAFRN COc1ccnc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000095570549 136182200 /nfs/dbraw/zinc/18/22/00/136182200.db2.gz URWDWKTYUWVROM-UHFFFAOYSA-N 0 0 397.331 3.916 1 0 GHAFRN Oc1ccc(C(=S)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(O)c1 ZINC000103194521 136190982 /nfs/dbraw/zinc/19/09/82/136190982.db2.gz UCTITYOVSAKAAM-UHFFFAOYSA-N 0 0 398.406 3.741 1 0 GHAFRN Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000028889833 581095605 /nfs/dbraw/zinc/09/56/05/581095605.db2.gz MCIJHEGABQVOTC-UHFFFAOYSA-N 0 0 391.353 3.578 1 0 GHAFRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002616888 842654301 /nfs/dbraw/zinc/65/43/01/842654301.db2.gz PPUORUOIRPNKCS-UHFFFAOYSA-N 0 0 390.487 3.637 3 0 GHAFRN Cc1ccc2c(cccc2-c2cnc(N)c(N3CCC([C@@H](O)C(C)C)CC3)n2)n1 ZINC000032561760 206257188 /nfs/dbraw/zinc/25/71/88/206257188.db2.gz RSNMYCIQIMXUMF-NRFANRHFSA-N 0 0 391.519 3.816 1 0 GHAFRN Cc1scc(C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)c1-c1ccccc1 ZINC000023379619 206252675 /nfs/dbraw/zinc/25/26/75/206252675.db2.gz DHDDEBOVKTVWMW-UHFFFAOYSA-N 0 0 379.485 3.827 1 0 GHAFRN O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCO ZINC000005808458 206292900 /nfs/dbraw/zinc/29/29/00/206292900.db2.gz WTCLIRHSFPFRAG-UHFFFAOYSA-N 0 0 397.478 3.640 1 0 GHAFRN Nc1nc(N)c2c(Cl)c(CNc3cccc(Br)c3)ccc2n1 ZINC000013207352 206294678 /nfs/dbraw/zinc/29/46/78/206294678.db2.gz NUPKLSRKYDKFSL-UHFFFAOYSA-N 0 0 378.661 3.822 1 0 GHAFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)[O-])[NH+](C)C)cc1 ZINC000026834647 206303927 /nfs/dbraw/zinc/30/39/27/206303927.db2.gz ZIACYBMFSHANKX-NRFANRHFSA-N 0 0 394.471 3.829 1 0 GHAFRN N=c1sc2cc(OC(F)(F)F)ccc2n1CC[S@](=O)c1ccccc1 ZINC000026727735 206303277 /nfs/dbraw/zinc/30/32/77/206303277.db2.gz BYBODLUOZBQJRQ-RUZDIDTESA-N 0 0 386.420 3.889 1 0 GHAFRN COC(=O)c1ccc(-c2ccco2)n1CC(=O)NCCc1ccc(Cl)cc1 ZINC000006870817 206688018 /nfs/dbraw/zinc/68/80/18/206688018.db2.gz HKAXVQHCHTYDNX-UHFFFAOYSA-N 0 0 386.835 3.547 1 0 GHAFRN CN1[C@H]2c3nc4cc5ccccc5cc4n3C[C@H]2C[C@H]1C(=O)NCc1ccccc1 ZINC000013660668 206987081 /nfs/dbraw/zinc/98/70/81/206987081.db2.gz RIIVZUYESJBDPN-WTIAFYNJSA-N 0 0 396.494 3.881 3 0 GHAFRN CCO[C@H](C)n1c2ccccc2nc1[S@](=O)Cc1ncc(C)c(OC)c1C ZINC000013820816 207001030 /nfs/dbraw/zinc/00/10/30/207001030.db2.gz AUTHKZLYTZFVJC-RXAIFQJESA-N 0 0 387.505 3.920 1 0 GHAFRN COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H](C(C)C)[C@@H](CO)[C@@H]3[C@@H](CO)C[C@@H]21 ZINC000016930875 207080020 /nfs/dbraw/zinc/08/00/20/207080020.db2.gz LSEZDZDSBYJFOM-QLDKQXQDSA-N 0 0 380.569 3.891 1 0 GHAFRN C[C@@](O)(c1ccc(Cl)cc1)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1 ZINC000026006979 207308489 /nfs/dbraw/zinc/30/84/89/207308489.db2.gz ZDWHKJSIKBFIEN-RTBURBONSA-N 0 0 377.271 3.985 1 0 GHAFRN NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3cccnc3)ccc2c1=O ZINC000027309322 207323418 /nfs/dbraw/zinc/32/34/18/207323418.db2.gz ZSTIQGBZJXATQJ-UHFFFAOYSA-N 0 0 391.814 3.511 1 0 GHAFRN CCOC(=O)[C@H](Cc1ccc(OCc2ccc(Cl)cc2)cc1)NC(C)=O ZINC000028708263 207346163 /nfs/dbraw/zinc/34/61/63/207346163.db2.gz MZIOMNCYOLIJKU-IBGZPJMESA-N 0 0 375.852 3.529 1 0 GHAFRN Cc1cc(C)cc(S(=O)(=O)c2c3cc(Cl)c(F)cc3[nH]c2C(N)=O)c1 ZINC000028711518 207346552 /nfs/dbraw/zinc/34/65/52/207346552.db2.gz BXFPPQOXTSJYRH-UHFFFAOYSA-N 0 0 380.828 3.509 1 0 GHAFRN CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2cnccn2)c1 ZINC000028460414 207342649 /nfs/dbraw/zinc/34/26/49/207342649.db2.gz JWSFYDAVMCCDDZ-MDZDMXLPSA-N 0 0 388.471 3.503 1 0 GHAFRN Cc1cc(-n2ccnc2)cc2nc(-c3c(NCc4ccco4)cc[nH]c3=O)[nH]c21 ZINC000028893869 207350684 /nfs/dbraw/zinc/35/06/84/207350684.db2.gz OMHWQUPAJMLLNA-UHFFFAOYSA-N 0 0 386.415 3.617 1 0 GHAFRN O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1ccc(C(F)(F)F)cc1O ZINC000029315586 207360394 /nfs/dbraw/zinc/36/03/94/207360394.db2.gz ZZPWESLOZAQQLP-AWEZNQCLSA-N 0 0 377.240 3.618 1 0 GHAFRN CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccncc1)CCCCC3 ZINC000028968792 207352943 /nfs/dbraw/zinc/35/29/43/207352943.db2.gz OEVGVFJCBVDGJQ-SFHVURJKSA-N 0 0 379.460 3.689 1 0 GHAFRN CC(=O)Oc1ccc2c(cc3n2CCc2cc(OC(C)=O)c(OC(C)=O)cc2-3)c1 ZINC000029346979 207360070 /nfs/dbraw/zinc/36/00/70/207360070.db2.gz RIXDBBWFSYBOLI-UHFFFAOYSA-N 0 0 393.395 3.640 1 0 GHAFRN Cc1ccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)cc1 ZINC000034836918 207476379 /nfs/dbraw/zinc/47/63/79/207476379.db2.gz JZURMEWAIKSDNM-UHFFFAOYSA-N 0 0 379.489 3.868 1 0 GHAFRN Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccc(F)cc4)cc3c12 ZINC000036476493 207530135 /nfs/dbraw/zinc/53/01/35/207530135.db2.gz JCKLXHSVVLASEB-UHFFFAOYSA-N 0 0 399.429 3.910 1 0 GHAFRN O=C1O[C@]2(c3ccccc31)C(=O)N(C1CCCCC1)C(=O)N2C1CCCCC1 ZINC000040764479 207609279 /nfs/dbraw/zinc/60/92/79/207609279.db2.gz MCBWNCCKEWGBIL-JOCHJYFZSA-N 0 0 382.460 3.939 1 0 GHAFRN CN(C)c1ccc(C2=Nn3c(Cc4c[nH]c5ccccc45)nnc3SC2)cc1 ZINC000040861648 207612185 /nfs/dbraw/zinc/61/21/85/207612185.db2.gz XULUAANRYGYBQN-UHFFFAOYSA-N 0 0 388.500 3.774 1 0 GHAFRN Cn1c2cc3c(cc2oc1=O)CCN=C3c1cccc(OC(=O)c2ccccc2)c1 ZINC000045352920 207656405 /nfs/dbraw/zinc/65/64/05/207656405.db2.gz QLZZQFDKFWUARG-UHFFFAOYSA-N 0 0 398.418 3.744 1 0 GHAFRN O=S(=O)(Cc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 ZINC000064499189 207802758 /nfs/dbraw/zinc/80/27/58/207802758.db2.gz QJZYFNZDAJIFPK-UHFFFAOYSA-N 0 0 384.244 3.985 1 0 GHAFRN Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC[C@@]1(C)C(=O)NCC(C)C ZINC000061895663 207790051 /nfs/dbraw/zinc/79/00/51/207790051.db2.gz RLQBWONACAPKDM-IBGZPJMESA-N 0 0 399.457 3.956 3 0 GHAFRN COc1ccc(C(=O)N2c3ccccc3S(=O)(=O)c3ccccc32)cc1O ZINC000072107407 207968948 /nfs/dbraw/zinc/96/89/48/207968948.db2.gz KLHSYYWUFPLXIA-UHFFFAOYSA-N 0 0 381.409 3.526 1 0 GHAFRN O=S(=O)(N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1)c1ccccc1 ZINC000072103537 207969552 /nfs/dbraw/zinc/96/95/52/207969552.db2.gz LVROEDBDCRUSFV-KRWDZBQOSA-N 0 0 393.390 3.563 1 0 GHAFRN CCn1cc(-c2nnc3sc(-c4ccccc4)nn32)c(=O)c2ccc(C)nc21 ZINC000072178607 207988109 /nfs/dbraw/zinc/98/81/09/207988109.db2.gz YRCYDOGQSWGEOF-UHFFFAOYSA-N 0 0 388.456 3.558 1 0 GHAFRN CCOC(=O)c1cnn2c1N(C(=O)Nc1ccccc1)[C@@H](c1ccccc1)C2 ZINC000073198824 208034878 /nfs/dbraw/zinc/03/48/78/208034878.db2.gz YOOMOZISUHRYOY-GOSISDBHSA-N 0 0 376.416 3.853 1 0 GHAFRN COC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@@H]32)C1 ZINC000084671948 208095537 /nfs/dbraw/zinc/09/55/37/208095537.db2.gz KQTXYQZHMGJNCG-WVSXPFAOSA-N 0 0 391.552 3.931 1 0 GHAFRN CC(=O)Nc1nc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2s1 ZINC000095564447 208231980 /nfs/dbraw/zinc/23/19/80/208231980.db2.gz VLJBDXXWPQCWCH-UHFFFAOYSA-N 0 0 393.476 3.759 1 0 GHAFRN CCOC(=O)C[C@H]1c2cc(-c3cccc(F)c3)ccc2OC(N)=C1C(=O)OCC ZINC000095558776 208232773 /nfs/dbraw/zinc/23/27/73/208232773.db2.gz UTEXPRXJBVTPBC-KRWDZBQOSA-N 0 0 399.418 3.655 1 0 GHAFRN CCOC(=O)C[C@H]1c2cc(-c3ccc(F)cc3)ccc2OC(N)=C1C(=O)OCC ZINC000095563545 208233333 /nfs/dbraw/zinc/23/33/33/208233333.db2.gz LDVRDFZSFNWPHU-KRWDZBQOSA-N 0 0 399.418 3.655 1 0 GHAFRN CC(C)(C)NC(=O)[C@H](C1CC1)n1c2ccccc2nc(-c2ccccc2)c1=O ZINC000095599005 208238057 /nfs/dbraw/zinc/23/80/57/208238057.db2.gz RLILIUYBRHOZNJ-FQEVSTJZSA-N 0 0 375.472 3.929 3 0 GHAFRN COc1cc(/C=C2\CCC[C@H]3C2=NN[C@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000103213918 208420039 /nfs/dbraw/zinc/42/00/39/208420039.db2.gz MGMNMWPHWGHECI-SGTXADIZSA-N 0 0 380.444 3.999 1 0 GHAFRN CCOC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2F)CC1 ZINC000103245435 136191083 /nfs/dbraw/zinc/19/10/83/136191083.db2.gz KAKXGVKLTUNQCS-DHZHZOJOSA-N 0 0 397.450 3.756 1 0 GHAFRN COC(=O)c1cc(Br)cnc1N1CCC(Nc2ccccc2)CC1 ZINC000169302913 136197115 /nfs/dbraw/zinc/19/71/15/136197115.db2.gz PEIXUEXAPDKXCQ-UHFFFAOYSA-N 0 0 390.281 3.712 1 0 GHAFRN CCCCn1c(=O)c2cc(OC)c(OC)cc2nc1-c1ccc(NC(C)=O)cc1 ZINC000073222536 222268761 /nfs/dbraw/zinc/26/87/61/222268761.db2.gz QDFDOHZBOJUZDF-UHFFFAOYSA-N 0 0 395.459 3.839 1 0 GHAFRN COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccccc3[S@]2=O)cc1 ZINC000013739869 518149531 /nfs/dbraw/zinc/14/95/31/518149531.db2.gz CCQMQGCSDDLYDY-HHHXNRCGSA-N 0 0 379.437 3.996 1 0 GHAFRN CCCc1cc(=O)oc2c3c(c(C(=O)CC(C)C)c(O)c12)O[C@H](C(C)(C)O)C3 ZINC000014586016 571712269 /nfs/dbraw/zinc/71/22/69/571712269.db2.gz KYKWIMFWAYVDJI-HNNXBMFYSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN COc1cc2nc(N)nc(Nc3cccc(Br)c3)c2cc1OC ZINC000003815348 206493165 /nfs/dbraw/zinc/49/31/65/206493165.db2.gz WYYHXJFKSMRPCR-UHFFFAOYSA-N 0 0 375.226 3.735 1 0 GHAFRN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cnccn2)cc1 ZINC000012373602 206890928 /nfs/dbraw/zinc/89/09/28/206890928.db2.gz WOQICWUQTXWZGR-SFHVURJKSA-N 0 0 375.476 3.767 3 0 GHAFRN CCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@H]2c2ccccc2)C1=O ZINC000013527994 206977506 /nfs/dbraw/zinc/97/75/06/206977506.db2.gz OYZRSSFZJCMFLQ-NFBKMPQASA-N 0 0 387.483 3.653 1 0 GHAFRN CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)cc1)NC(=S)Nc1cccnc1 ZINC000013588818 206982422 /nfs/dbraw/zinc/98/24/22/206982422.db2.gz YFTMELUSFCLREP-INIZCTEOSA-N 0 0 376.913 3.824 1 0 GHAFRN COc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O ZINC000013779199 206998640 /nfs/dbraw/zinc/99/86/40/206998640.db2.gz MPYUGKJGVBNBRP-UHFFFAOYSA-N 0 0 394.168 3.545 1 0 GHAFRN Cc1nc2c3c(c(C(=O)N4CCOCC4)cn2c1C)CC[C@@H](c1ccccc1)C3 ZINC000013983761 207007197 /nfs/dbraw/zinc/00/71/97/207007197.db2.gz XDTJZTXSODFRQV-LJQANCHMSA-N 0 0 389.499 3.696 1 0 GHAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2)c1-n1cccc1 ZINC000014975658 207036182 /nfs/dbraw/zinc/03/61/82/207036182.db2.gz QVRBOJREASCNET-UHFFFAOYSA-N 0 0 383.883 3.756 1 0 in-vitro GHAFRN COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@@H](C(C)C)O4 ZINC000017138777 207086900 /nfs/dbraw/zinc/08/69/00/207086900.db2.gz DTFARBHXORYQBF-ZLGUVYLKSA-N 0 0 396.439 3.783 1 0 GHAFRN CCN(CC)c1nc2cc(Br)c(Br)cc2n2cnnc12 ZINC000026296495 207311716 /nfs/dbraw/zinc/31/17/16/207311716.db2.gz FKKFICHINCMWRB-UHFFFAOYSA-N 0 0 399.090 3.649 1 0 GHAFRN CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(N)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000026381690 207313739 /nfs/dbraw/zinc/31/37/39/207313739.db2.gz DFEHVAXVFGVOIU-MGMCSSRKSA-N 0 0 387.568 3.704 1 0 GHAFRN COc1ccc(C2=NN(Cc3ccc(O)cc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000026566793 207315955 /nfs/dbraw/zinc/31/59/55/207315955.db2.gz XWLNXPBGFLZPDR-OALUTQOASA-N 0 0 394.471 3.962 1 0 GHAFRN CCCC(=O)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027854648 207331373 /nfs/dbraw/zinc/33/13/73/207331373.db2.gz VUYFTFQIRJJRGF-IAGOWNOFSA-N 0 0 379.412 3.667 1 0 GHAFRN CNc1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1 ZINC000028701625 207347010 /nfs/dbraw/zinc/34/70/10/207347010.db2.gz IOKFQOKMKXKIFI-UHFFFAOYSA-N 0 0 376.201 3.581 1 0 GHAFRN COc1ccc(Sc2ccc(C)cc2N2CC[N@H+](CC(=O)[O-])[C@@H](C)C2)cc1 ZINC000028348513 207340715 /nfs/dbraw/zinc/34/07/15/207340715.db2.gz UJZNDEGDKYJYIS-INIZCTEOSA-N 0 0 386.517 3.750 1 0 GHAFRN C[C@]1(Cc2nc(C(=O)Nc3ccccc3N)cs2)Cc2ccccc2C1=O ZINC000028824229 207349942 /nfs/dbraw/zinc/34/99/42/207349942.db2.gz KWWRATGDZQZNQI-OAQYLSRUSA-N 0 0 377.469 3.965 1 0 GHAFRN O=C(c1cncc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1)N1CCCC1 ZINC000029050023 207356400 /nfs/dbraw/zinc/35/64/00/207356400.db2.gz HMADSRLNPQCTGH-UHFFFAOYSA-N 0 0 399.299 3.598 1 0 GHAFRN CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1 ZINC000029405793 207362938 /nfs/dbraw/zinc/36/29/38/207362938.db2.gz AGFFZHDTNWRYIP-UHFFFAOYSA-N 0 0 381.379 3.930 1 0 GHAFRN COC(=O)C[C@H](c1cccnc1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000034986396 207482169 /nfs/dbraw/zinc/48/21/69/207482169.db2.gz UJJRMYXCHDOHNM-TZIWHRDSSA-N 0 0 383.492 3.553 1 0 GHAFRN C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000036382997 207526953 /nfs/dbraw/zinc/52/69/53/207526953.db2.gz HNKXXDHAIUSQFU-RDTXWAMCSA-N 0 0 399.434 3.997 1 0 GHAFRN CS(=O)(=O)c1ccc(/C(=C\c2cccs2)C(=O)Nc2nccs2)cc1 ZINC000036400397 207530431 /nfs/dbraw/zinc/53/04/31/207530431.db2.gz ZCRHVAOVNFNLDX-RVDMUPIBSA-N 0 0 390.511 3.787 1 0 GHAFRN COc1ccc2c(c1)oc(C(=O)c1cc(OC)c(OC)c(OC)c1)c2N(C)C ZINC000040422642 207598592 /nfs/dbraw/zinc/59/85/92/207598592.db2.gz OQQRKYNKMNGPEB-UHFFFAOYSA-N 0 0 385.416 3.764 1 0 GHAFRN O=C1[C@H]2Nc3ccc(Br)cc3[C@H]2N=CN1CCc1ccc(F)cc1 ZINC000040405578 207601043 /nfs/dbraw/zinc/60/10/43/207601043.db2.gz WEANAKHXLOWZNC-SJORKVTESA-N 0 0 388.240 3.537 1 0 GHAFRN O=C(c1ccc2c(c1)Oc1ccccc1[C@]2(O)c1ccccc1)N1CCOCC1 ZINC000045358137 207655339 /nfs/dbraw/zinc/65/53/39/207655339.db2.gz XFQXVKWLFMBWNL-XMMPIXPASA-N 0 0 387.435 3.549 1 0 GHAFRN CC[C@H](C1CC1)n1nc(C)nc(Nc2cc(C)c(OC)nc2C(F)(F)F)c1=O ZINC000049792786 207710993 /nfs/dbraw/zinc/71/09/93/207710993.db2.gz QORYBUSGILYYAD-CYBMUJFWSA-N 0 0 397.401 3.782 1 0 GHAFRN CCOC(=O)N1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2 ZINC000072178508 207988410 /nfs/dbraw/zinc/98/84/10/207988410.db2.gz INWPFESVDWDQAX-HNNXBMFYSA-N 0 0 397.427 3.711 1 0 GHAFRN C[C@@H]1COc2ccc(S(C)(=O)=O)cc2[C@H](C)N1C(=O)c1ccc(Cl)cc1 ZINC000073168045 208032495 /nfs/dbraw/zinc/03/24/95/208032495.db2.gz WDNOXFOPSMQZAW-OLZOCXBDSA-N 0 0 393.892 3.728 1 0 GHAFRN CNCc1csc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)n1 ZINC000073196482 208034647 /nfs/dbraw/zinc/03/46/47/208034647.db2.gz KUUQZLCBCFPAST-UHFFFAOYSA-N 0 0 383.521 3.657 1 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(C)c1 ZINC000095567029 208234073 /nfs/dbraw/zinc/23/40/73/208234073.db2.gz DEWYFEOOWPZHQX-HXUWFJFHSA-N 0 0 385.485 3.539 3 0 GHAFRN COc1ccc(CN2C(=O)CSC[C@@]2(C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000095599395 208237974 /nfs/dbraw/zinc/23/79/74/208237974.db2.gz WNIWRKMCCRHLDF-QFIPXVFZSA-N 0 0 398.528 3.785 3 0 GHAFRN CC(C)(Cn1c(=O)cc([O-])n([C@@H]2C[C@H]3CC[C@@H]2C3)c1=O)c1cccc(Cl)c1 ZINC000101677954 208395094 /nfs/dbraw/zinc/39/50/94/208395094.db2.gz ZLXVZHLIVCPKOH-JJRVBVJISA-N 0 0 388.895 3.987 1 0 GHAFRN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000101733479 208397145 /nfs/dbraw/zinc/39/71/45/208397145.db2.gz AKIWSHOCTLYUJN-LFVOPCPISA-N 0 0 376.416 3.969 1 0 aggregator GHAFRN CCCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(CCO)CC1)=N2 ZINC000101761337 208398252 /nfs/dbraw/zinc/39/82/52/208398252.db2.gz LUUGSZPVFVUJKR-UHFFFAOYSA-N 0 0 389.543 3.919 1 0 GHAFRN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000103229286 208418999 /nfs/dbraw/zinc/41/89/99/208418999.db2.gz JERPLMRLIVROCB-PWAJEDTMSA-N 0 0 377.484 3.988 1 0 GHAFRN CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2oc(=O)cc(C)c2c1 ZINC000103187095 208417051 /nfs/dbraw/zinc/41/70/51/208417051.db2.gz RVNYKZRRCATSJO-CPNJWEJPSA-N 0 0 380.396 3.841 1 0 GHAFRN CC(=O)O[C@]1(C)CC[C@@H]2[C@H]3[C@@H]1[C@@H]1C/C(C)=C\CC[C@](C)(OC(=O)[C@@H]2C)[C@H]3O1 ZINC000195198714 208809090 /nfs/dbraw/zinc/80/90/90/208809090.db2.gz QQZBIRHKOVCIIO-NROLEXSKSA-N 0 0 376.493 3.800 1 0 GHAFRN COc1ccc([C@H]2c3ccc4ccccc4c3O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 ZINC000195377660 208809254 /nfs/dbraw/zinc/80/92/54/208809254.db2.gz KYSIWMFCTDITTB-UEXGIBASSA-N 0 0 389.480 3.560 1 0 GHAFRN Cc1nn(C(=O)Cc2ccccc2)c2c1[C@H](c1ccc(O)cc1O)SC(=N)N2 ZINC000006483909 220936967 /nfs/dbraw/zinc/93/69/67/220936967.db2.gz XHZINRPMSVVDRP-SFHVURJKSA-N 0 0 394.456 3.668 1 0 GHAFRN COc1cccc(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)c1Cl ZINC000095565190 136182087 /nfs/dbraw/zinc/18/20/87/136182087.db2.gz IMWBFACBSMDLLI-UHFFFAOYSA-N 0 0 397.233 3.517 1 0 GHAFRN Cc1ccnc(NC(=S)N2CCN(c3ccc(Br)cc3)CC2)c1 ZINC000095566330 136182138 /nfs/dbraw/zinc/18/21/38/136182138.db2.gz XKESQQCFMLMINL-UHFFFAOYSA-N 0 0 391.338 3.672 1 0 GHAFRN COc1ccccc1N(CCOc1ccc(C)cc1)C(=O)CN1CCCCC1 ZINC000014952474 206295796 /nfs/dbraw/zinc/29/57/96/206295796.db2.gz VQUPYGXNBXITAA-UHFFFAOYSA-N 0 0 382.504 3.902 1 0 in-vitro GHAFRN O=C(NC1C[C@H]2CCC[C@@H](C1)N2C(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000001377968 206377362 /nfs/dbraw/zinc/37/73/62/206377362.db2.gz KKNWITJNLWIOQD-IHWFROFDSA-N 0 0 387.499 3.983 3 0 GHAFRN COC[C@@H](O)COc1ccc(OCc2cccc(C(F)(F)F)c2)cc1C(C)=O ZINC000001540698 206385163 /nfs/dbraw/zinc/38/51/63/206385163.db2.gz XEMABSKOHROFJL-MRXNPFEDSA-N 0 0 398.377 3.873 1 0 GHAFRN CC(=O)c1cccc(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c1 ZINC000008592029 206756280 /nfs/dbraw/zinc/75/62/80/206756280.db2.gz ARKZOALABHFWSV-UHFFFAOYSA-N 0 0 393.418 3.899 1 0 GHAFRN CC(C)Cc1cc(C(=O)NC[C@@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)no1 ZINC000011995616 206847047 /nfs/dbraw/zinc/84/70/47/206847047.db2.gz TZBSKIVVRCJYAT-KRWDZBQOSA-N 0 0 395.434 3.808 1 0 GHAFRN CCOC(=O)c1ncn2c1CN(Cc1ccccc1)C(=O)c1cc(Cl)ccc1-2 ZINC000013828195 207000382 /nfs/dbraw/zinc/00/03/82/207000382.db2.gz OTBBXMQDNRQKCP-UHFFFAOYSA-N 0 0 395.846 3.858 1 0 GHAFRN CCOC(=O)C[C@@H](NC(=O)Nc1ncc(-c2ccccc2)n1C)c1ccccc1 ZINC000015786038 207062049 /nfs/dbraw/zinc/06/20/49/207062049.db2.gz JYWZWFRXOWHWHE-GOSISDBHSA-N 0 0 392.459 3.903 1 0 GHAFRN C[C@H]1CCc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022941321 207266788 /nfs/dbraw/zinc/26/67/88/207266788.db2.gz UFBREGGYAJBGQB-SFHVURJKSA-N 0 0 397.950 3.826 1 0 GHAFRN CS(=O)(=O)Nc1ccc2c(c1)[C@H](c1ccccc1)Oc1cccc(CO)c1-2 ZINC000026187965 207309788 /nfs/dbraw/zinc/30/97/88/207309788.db2.gz MSOUZOJIURTKJU-NRFANRHFSA-N 0 0 381.453 3.699 1 0 GHAFRN O[C@](Cn1ccnc1)(c1ccc(Br)cc1)c1ccc(F)cc1F ZINC000026848713 207320211 /nfs/dbraw/zinc/32/02/11/207320211.db2.gz CWNRDWMRRVRLQR-QGZVFWFLSA-N 0 0 379.204 3.860 1 0 GHAFRN O=C1NC(=O)[C@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000027980073 207333072 /nfs/dbraw/zinc/33/30/72/207333072.db2.gz GCKDUTAZKOZMAE-HNNXBMFYSA-N 0 0 388.267 3.807 1 0 GHAFRN COc1ccc(CCN2c3ccccc3N(C)S(=O)(=O)c3cccnc32)cc1 ZINC000028637652 207345475 /nfs/dbraw/zinc/34/54/75/207345475.db2.gz SBUWVOQZNNLZIE-UHFFFAOYSA-N 0 0 395.484 3.610 1 0 GHAFRN C[C@H](Cc1ccc(OC[P@](C)(=O)[O-])cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029324377 207360463 /nfs/dbraw/zinc/36/04/63/207360463.db2.gz WCBKVLZYARZHND-KUHUBIRLSA-N 0 0 397.839 3.831 1 0 GHAFRN CNC(=O)Cc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 ZINC000029342662 207361169 /nfs/dbraw/zinc/36/11/69/207361169.db2.gz ZABFMZCBMIDTOS-UHFFFAOYSA-N 0 0 394.837 3.576 1 0 GHAFRN Nc1nc(N)c2c(Cl)c(CN(C=O)c3ccc(Cl)c(Cl)c3)ccc2n1 ZINC000029470191 207362628 /nfs/dbraw/zinc/36/26/28/207362628.db2.gz OMOPIHPPJADIRG-UHFFFAOYSA-N 0 0 396.665 3.917 1 0 GHAFRN Cc1csc(-c2cc(-c3ccnnc3)c3n(c2=O)CCCc2ccncc2-3)n1 ZINC000029402637 207363487 /nfs/dbraw/zinc/36/34/87/207363487.db2.gz XQXFLYIUHYKDHV-UHFFFAOYSA-N 0 0 387.468 3.745 1 0 GHAFRN CNC(=O)C[C@@H](c1ccccc1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000034987601 207481740 /nfs/dbraw/zinc/48/17/40/207481740.db2.gz NVIKCWYPJJVZMW-RBBKRZOGSA-N 0 0 381.520 3.731 1 0 GHAFRN CN1c2ccc(Cl)cc2C(=O)N[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000040565296 207603589 /nfs/dbraw/zinc/60/35/89/207603589.db2.gz YUVLXCLLHSPLGM-IBGZPJMESA-N 0 0 391.858 3.720 1 0 GHAFRN Cc1oc(S(=O)(=O)N2CCCCC2)c(C)c1NC(=O)Nc1ccccc1 ZINC000040861193 207611912 /nfs/dbraw/zinc/61/19/12/207611912.db2.gz ZONLNFCQXFMPRB-UHFFFAOYSA-N 0 0 377.466 3.715 1 0 GHAFRN Cn1c(=O)[nH]nc1Cc1ccc(Cl)c(Oc2cccc(Br)c2)c1 ZINC000040877092 207612935 /nfs/dbraw/zinc/61/29/35/207612935.db2.gz UJJDLQNWWYQOTB-UHFFFAOYSA-N 0 0 394.656 3.907 1 0 GHAFRN CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3ccc(OC)cc3)n2n1 ZINC000040900948 207613364 /nfs/dbraw/zinc/61/33/64/207613364.db2.gz IPOKVTMXLAZLHP-UHFFFAOYSA-N 0 0 388.431 3.608 1 0 GHAFRN OCCN1CCN(C2=Nc3cc(Cl)ccc3CC=C2c2ccccc2)CC1 ZINC000053064445 207721818 /nfs/dbraw/zinc/72/18/18/207721818.db2.gz UUTFFEFINBHHJF-UHFFFAOYSA-N 0 0 381.907 3.620 1 0 GHAFRN O=C([O-])C1(O)CC[NH+]([C@@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)CC1 ZINC000064448144 207800551 /nfs/dbraw/zinc/80/05/51/207800551.db2.gz IYAJUPFWKMPDJJ-QPPBQGQZSA-N 0 0 391.511 3.535 1 0 GHAFRN CN1C(=N)N[C@@](c2ccccc2)(c2cccc(-c3cncc(Cl)c3)c2)C1=O ZINC000084603718 208093259 /nfs/dbraw/zinc/09/32/59/208093259.db2.gz WCLBHPJZARGGNQ-NRFANRHFSA-N 0 0 376.847 3.642 1 0 GHAFRN COc1cc(/C=C2/N=C(c3ccccc3)N(Cc3ccncc3)C2=O)ccc1O ZINC000084616076 208094600 /nfs/dbraw/zinc/09/46/00/208094600.db2.gz BVXZDBJTBCDWRF-CPNJWEJPSA-N 0 0 385.423 3.626 1 0 GHAFRN COc1ccccc1Nc1nc2c(-c3ccc(S(C)(=O)=O)cc3)cccn2n1 ZINC000084729226 208098025 /nfs/dbraw/zinc/09/80/25/208098025.db2.gz FTQMDBNOBLWTEF-UHFFFAOYSA-N 0 0 394.456 3.552 1 0 GHAFRN COC(=O)c1coc2ccc(OCc3cccc(Br)c3)cc2c1=O ZINC000084724388 208098392 /nfs/dbraw/zinc/09/83/92/208098392.db2.gz BXKICCICVDQHRH-UHFFFAOYSA-N 0 0 389.201 3.921 1 0 GHAFRN O=C([C@@H](Cc1ccccc1)c1ccccc1)N1CCN(CC(F)(F)F)CC1 ZINC000095557173 208232372 /nfs/dbraw/zinc/23/23/72/208232372.db2.gz MTPBIINQUNSBGB-IBGZPJMESA-N 0 0 376.422 3.719 1 0 GHAFRN CCOC(=O)C[C@@]1(C)Sc2ccccc2N1S(=O)(=O)c1ccc(C)cc1 ZINC000095568702 208234114 /nfs/dbraw/zinc/23/41/14/208234114.db2.gz AIWBSEIBPPXZHJ-LJQANCHMSA-N 0 0 391.514 3.965 3 0 GHAFRN O=C1N(Cc2ccc(-c3cn[nH]c3)cc2F)c2ccccc2[C@]1(O)C(F)(F)F ZINC000095596509 208236593 /nfs/dbraw/zinc/23/65/93/208236593.db2.gz KLMSDQWLMLNUCO-GOSISDBHSA-N 0 0 391.324 3.513 1 0 GHAFRN Cc1c(Cl)cccc1C(=O)N1CCC[C@H](n2nnc(-c3ccccc3)n2)C1 ZINC000095586256 208236698 /nfs/dbraw/zinc/23/66/98/208236698.db2.gz RGHQBVIIDBWQEC-INIZCTEOSA-N 0 0 381.867 3.779 1 0 GHAFRN COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)c2ncn(C)c21 ZINC000096931688 208330448 /nfs/dbraw/zinc/33/04/48/208330448.db2.gz VWDMQTRMYZHESC-UHFFFAOYSA-N 0 0 395.415 3.930 1 0 GHAFRN COc1cc([C@@H]2CC(c3ccc(Cl)cc3Cl)=NN2C(C)=O)cc(N)c1O ZINC000096934791 208331758 /nfs/dbraw/zinc/33/17/58/208331758.db2.gz BOEJWVQCPPEZML-INIZCTEOSA-N 0 0 394.258 3.987 1 0 GHAFRN O=C(N[C@H]1CCCc2ccccc21)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000005145598 208665534 /nfs/dbraw/zinc/66/55/34/208665534.db2.gz DOOXYMMXSIEXGX-SFHVURJKSA-N 0 0 393.512 3.940 1 0 GHAFRN C/C=C(\C)C(=O)O[C@@H]1/C=C(/C)CC/C=C(/C)C[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@@H]21 ZINC000195500982 208810336 /nfs/dbraw/zinc/81/03/36/208810336.db2.gz WWJDCBOSKSEBLO-HYGLPOSQSA-N 0 0 390.476 3.804 1 0 GHAFRN CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccco2)[C@@H]1c1c[nH]c2ccccc21 ZINC000004103846 220681054 /nfs/dbraw/zinc/68/10/54/220681054.db2.gz CVHPFZALTXUADA-YADHBBJMSA-N 0 0 399.450 3.988 3 0 GHAFRN COc1c(Cl)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O ZINC000095566103 136182066 /nfs/dbraw/zinc/18/20/66/136182066.db2.gz WKWZZJXRNQUGFL-UHFFFAOYSA-N 0 0 397.233 3.517 1 0 GHAFRN COc1cccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000095568865 136182079 /nfs/dbraw/zinc/18/20/79/136182079.db2.gz DTLKKGZPQAFAGG-UHFFFAOYSA-N 0 0 396.438 3.628 1 0 GHAFRN COc1cccc(NC(=S)N2CCN(c3ccc(Cl)cc3Cl)CC2)n1 ZINC000095568778 136182109 /nfs/dbraw/zinc/18/21/09/136182109.db2.gz QMPBMFIQNMFXJA-UHFFFAOYSA-N 0 0 397.331 3.916 1 0 GHAFRN CC(C)[C@H](c1nnnn1C(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059813933 535169295 /nfs/dbraw/zinc/16/92/95/535169295.db2.gz AIMFEWLIPNKZOB-QGZVFWFLSA-N 0 0 376.936 3.601 3 0 GHAFRN CN1C(=O)/C(=C/c2ccc(/C=C/C(=O)N3CCCC3)s2)Oc2ccccc21 ZINC000040874069 536305926 /nfs/dbraw/zinc/30/59/26/536305926.db2.gz ZUXWVQPDAXGXAB-OFTDCZQLSA-N 0 0 380.469 3.780 1 0 GHAFRN COc1cc2ccc(-c3ccc(OC)c(OC)c3O)c(N(C)C=O)c2cc1OC ZINC000014709355 571720765 /nfs/dbraw/zinc/72/07/65/571720765.db2.gz QNIQCCMVUPVMMU-UHFFFAOYSA-N 0 0 397.427 3.839 1 0 endogenous,in-man GHAFRN CCC(C)(C)C(=O)C(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)OCCCc1ccccc1 ZINC000013554287 581097969 /nfs/dbraw/zinc/09/79/69/581097969.db2.gz IQEOVMKUVVEMRJ-IPMKNSEASA-N 0 0 385.504 3.547 1 0 GHAFRN CCc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000002940499 206447605 /nfs/dbraw/zinc/44/76/05/206447605.db2.gz RWMAHJYRFWBAFU-UHFFFAOYSA-N 0 0 396.306 3.814 3 0 GHAFRN Cc1ccccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1 ZINC000003814595 206493001 /nfs/dbraw/zinc/49/30/01/206493001.db2.gz SRVKFGCVJMHEKC-UHFFFAOYSA-N 0 0 381.379 3.514 1 0 GHAFRN Cc1nnsc1C(=O)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012717361 206927051 /nfs/dbraw/zinc/92/70/51/206927051.db2.gz BEXPMGWXRAAGNI-GFCCVEGCSA-N 0 0 383.395 3.600 3 0 GHAFRN CC(C)(C)[C@H](NC(=O)c1ccc(Cl)cc1)NC(=S)Nc1cccnc1 ZINC000013588817 206982138 /nfs/dbraw/zinc/98/21/38/206982138.db2.gz YFTMELUSFCLREP-MRXNPFEDSA-N 0 0 376.913 3.824 1 0 GHAFRN C[C@H]1c2[nH]c(=O)n3nc(-c4ccccc4F)nc3c2CN1Cc1ccccc1 ZINC000013824506 207001418 /nfs/dbraw/zinc/00/14/18/207001418.db2.gz GRDRLYHKRRCXCP-ZDUSSCGKSA-N 0 0 375.407 3.713 1 0 GHAFRN O=C([O-])[C@@H]1CCC[N@H+](CCOC=C2c3ccccc3CCc3ccccc32)C1 ZINC000013863083 207002133 /nfs/dbraw/zinc/00/21/33/207002133.db2.gz YFGNKQZRTRUJTI-HXUWFJFHSA-N 0 0 377.484 3.988 1 0 GHAFRN Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1 ZINC000013732879 206996467 /nfs/dbraw/zinc/99/64/67/206996467.db2.gz HWTHDEITPOXGRT-QFIPXVFZSA-N 0 0 398.466 3.957 1 0 GHAFRN Cc1ccc(-c2csc(NC(=O)CN3CCN(c4ccccc4)CC3)n2)cc1 ZINC000014195034 207014820 /nfs/dbraw/zinc/01/48/20/207014820.db2.gz LHQSFUKHTGQJFQ-UHFFFAOYSA-N 0 0 392.528 3.879 1 0 GHAFRN Fc1cccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1 ZINC000015779146 207061166 /nfs/dbraw/zinc/06/11/66/207061166.db2.gz XWQTXSXLCDGHFH-UHFFFAOYSA-N 0 0 378.407 3.646 1 0 GHAFRN O[C@H](c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026009455 207309116 /nfs/dbraw/zinc/30/91/16/207309116.db2.gz ZWMMBCBECWZTJT-SJORKVTESA-N 0 0 398.677 3.860 1 0 GHAFRN O=C(/C=C\c1ccccc1)N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O ZINC000027109881 207322745 /nfs/dbraw/zinc/32/27/45/207322745.db2.gz UXNHLBPVNCIBGP-SYKNXGGPSA-N 0 0 399.425 3.771 1 0 GHAFRN CCOC(=O)[C@]1(C)N=C(c2ccccc2)c2cc(Cl)ccc2-n2c(C)nnc21 ZINC000027721086 207329627 /nfs/dbraw/zinc/32/96/27/207329627.db2.gz DCZMCTNRQRAJSS-OAQYLSRUSA-N 0 0 394.862 3.858 1 0 GHAFRN CC(C)(C)OC(=O)N1CC[C@@H](n2cc(-c3cccc(O)c3)c3c2ncnc3N)C1 ZINC000027980643 207333776 /nfs/dbraw/zinc/33/37/76/207333776.db2.gz DDCRNOXQNBDLGB-CQSZACIVSA-N 0 0 395.463 3.568 1 0 GHAFRN C[C@@H](C(=O)N1CCN(C)CC1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O ZINC000027557215 207326563 /nfs/dbraw/zinc/32/65/63/207326563.db2.gz FOWCXBJBUBERNS-NXHRZFHOSA-N 0 0 386.561 3.659 1 0 GHAFRN O=C([O-])CC[NH+]1CCC(=C2c3cc(Cl)ccc3OCc3cccnc32)CC1 ZINC000027561314 207326603 /nfs/dbraw/zinc/32/66/03/207326603.db2.gz HXWLYJXXAXVIEF-UHFFFAOYSA-N 0 0 384.863 4.000 1 0 GHAFRN C/C=C(\C(=O)OCC)[C@H](CCC)S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000028638333 207344946 /nfs/dbraw/zinc/34/49/46/207344946.db2.gz HQBATDSHELZIGG-LGVHXXEASA-N 0 0 377.865 3.899 1 0 GHAFRN CNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1C(F)(F)F ZINC000028643750 207346480 /nfs/dbraw/zinc/34/64/80/207346480.db2.gz JBVPVRINTNNPBI-UHFFFAOYSA-N 0 0 384.365 3.997 1 0 GHAFRN Cc1nccn1-c1ccc(N2CCC(Oc3cc(F)ccc3Cl)CC2)nn1 ZINC000028655464 207346854 /nfs/dbraw/zinc/34/68/54/207346854.db2.gz RQGUUHCOORYFQE-UHFFFAOYSA-N 0 0 387.846 3.811 1 0 GHAFRN COc1ccc([C@H](Cc2scnc2C(=O)Nc2nccs2)OC)cc1 ZINC000028462193 207342366 /nfs/dbraw/zinc/34/23/66/207342366.db2.gz GJLAORCBTDMCLD-ZDUSSCGKSA-N 0 0 375.475 3.791 1 0 GHAFRN COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)ccc1C ZINC000028955445 207353013 /nfs/dbraw/zinc/35/30/13/207353013.db2.gz BTETVZAQUZTEAI-UHFFFAOYSA-N 0 0 399.878 3.777 1 0 GHAFRN O=C(c1ccccc1)N1CCN2CCN=C(c3ccccc3)[C@@]21c1ccccc1 ZINC000031841379 207387186 /nfs/dbraw/zinc/38/71/86/207387186.db2.gz HJOKLAGCNUWNDK-VWLOTQADSA-N 0 0 381.479 3.800 1 0 GHAFRN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3ccccc3OC)c2)C1 ZINC000033264088 207446367 /nfs/dbraw/zinc/44/63/67/207446367.db2.gz GZIPVXHCFVJTMF-FQEVSTJZSA-N 0 0 395.503 3.534 1 0 GHAFRN O=C(NC1CCCCC1)c1cn(Cc2ccc(F)cc2)c2ncccc2c1=O ZINC000035050288 207482655 /nfs/dbraw/zinc/48/26/55/207482655.db2.gz DTANHKNKNMZFOK-UHFFFAOYSA-N 0 0 379.435 3.646 1 0 GHAFRN COc1cc(OC)cc([C@H]2c3cc4c(cc3NC3=C[C@H](C)OC(=O)C32)OCO4)c1 ZINC000040412807 207599372 /nfs/dbraw/zinc/59/93/72/207599372.db2.gz IOLUGSUSZCGEHF-YBTHPKLGSA-N 0 0 395.411 3.579 1 0 GHAFRN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC)C(=O)N32)cc1 ZINC000040848278 207609833 /nfs/dbraw/zinc/60/98/33/207609833.db2.gz OCJJEAAQPFYCNP-TZIWHRDSSA-N 0 0 389.455 3.865 1 0 GHAFRN COc1ccc(CCN2c3ccccc3OS(=O)(=O)c3cccnc32)cc1 ZINC000040918457 207613262 /nfs/dbraw/zinc/61/32/62/207613262.db2.gz VIHTTXUIZVWERP-UHFFFAOYSA-N 0 0 382.441 3.552 1 0 GHAFRN CCOC(=O)Cc1ccccc1OC(=O)Cc1ccc(OCC)c(OCC)c1 ZINC000045496548 207658041 /nfs/dbraw/zinc/65/80/41/207658041.db2.gz IYZCUMPWXRJIGG-UHFFFAOYSA-N 0 0 386.444 3.738 1 0 GHAFRN Cc1cc(C)cc(-n2ncc3c2cccc3NC(=O)c2ccc3c(c2)no[n+]3[O-])c1 ZINC000045254345 207654570 /nfs/dbraw/zinc/65/45/70/207654570.db2.gz SMUYSUMADVLPKN-UHFFFAOYSA-N 0 0 399.410 3.669 1 0 GHAFRN COc1cc(C(=O)N[C@H]2COc3cc(Cl)ccc32)ccc1-n1cnc(C)c1 ZINC000084619063 208093827 /nfs/dbraw/zinc/09/38/27/208093827.db2.gz SOKHUVBJJLABEJ-INIZCTEOSA-N 0 0 383.835 3.706 1 0 GHAFRN O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000084672089 208095080 /nfs/dbraw/zinc/09/50/80/208095080.db2.gz SWEAYHBSAXRXDZ-RTBURBONSA-N 0 0 376.456 3.752 1 0 GHAFRN C=Cn1cccc1C(=O)N1CCC[C@H](n2cnc3sc(C)c(CC)c3c2=O)C1 ZINC000084730608 208098241 /nfs/dbraw/zinc/09/82/41/208098241.db2.gz XIXRMZSSZMPHSW-HNNXBMFYSA-N 0 0 396.516 3.708 1 0 GHAFRN CCOC(=O)C[C@H]1c2cc(-c3ccccc3F)ccc2OC(N)=C1C(=O)OCC ZINC000095562796 208233426 /nfs/dbraw/zinc/23/34/26/208233426.db2.gz QBZMWMOOEOIIHA-INIZCTEOSA-N 0 0 399.418 3.655 1 0 GHAFRN CNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc21 ZINC000095574528 208234186 /nfs/dbraw/zinc/23/41/86/208234186.db2.gz BRZCYRUQOHCGHE-UHFFFAOYSA-N 0 0 389.228 3.503 1 0 GHAFRN COC(=O)/C=C1\CC[C@H]2[C@@H](C(=O)C[C@@H]3[C@](C)(C(=O)OC)CCC[C@]23C)[C@@H]1C ZINC000096906624 208326708 /nfs/dbraw/zinc/32/67/08/208326708.db2.gz UMKMKHVTQXNBRV-OOLSPWCBSA-N 0 0 376.493 3.707 1 0 GHAFRN O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1Cc1cccc2ccccc21 ZINC000101447359 208393558 /nfs/dbraw/zinc/39/35/58/208393558.db2.gz ISRRLHZDYDPSGX-UHFFFAOYSA-N 0 0 396.406 3.592 1 0 GHAFRN Cc1cc(F)cc(C)c1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O ZINC000095565598 136182114 /nfs/dbraw/zinc/18/21/14/136182114.db2.gz IDSKYAIUKADBAS-UHFFFAOYSA-N 0 0 378.806 3.610 1 0 GHAFRN Cc1nc2ccccc2c(=O)n1N1C(C)=C[C@@H](C)N(c2ccccc2)C1=S ZINC000098085076 136188796 /nfs/dbraw/zinc/18/87/96/136188796.db2.gz GMNYUWYBLMHNDU-CQSZACIVSA-N 0 0 376.485 3.740 1 0 GHAFRN CCC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@@H]1c1ccccc1OC ZINC000103203354 136191003 /nfs/dbraw/zinc/19/10/03/136191003.db2.gz XTBGFBSVXBIPFM-OAQYLSRUSA-N 0 0 393.487 3.620 1 0 GHAFRN CC(=O)O[C@H]1[C@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc32)OC1(C)C ZINC000005384164 560201482 /nfs/dbraw/zinc/20/14/82/560201482.db2.gz KLUTZDJBVDPOFE-UXHICEINSA-N 0 0 388.416 3.526 1 0 biogenic,in-vitro GHAFRN Nc1nn(-c2cccc(-c3cccc(O)c3)c2)cc1-c1ccc2c(c1)CCNC2=O ZINC000045391520 581098530 /nfs/dbraw/zinc/09/85/30/581098530.db2.gz FRKWUYUWMYUILV-UHFFFAOYSA-N 0 0 396.450 3.780 1 0 GHAFRN COc1cc(Nc2ncc3ccn(-c4cnccc4F)c3n2)cc(OC)c1OC ZINC000036348610 581100240 /nfs/dbraw/zinc/10/02/40/581100240.db2.gz JZSWCWDKCYTRBX-UHFFFAOYSA-N 0 0 395.394 3.724 1 0 GHAFRN COc1cc(O)c(-c2ccc3cc4c(cc3c2N(C)C=O)OCO4)cc1OC ZINC000013372803 291132838 /nfs/dbraw/zinc/13/28/38/291132838.db2.gz VAAALYZSWYRNHB-UHFFFAOYSA-N 0 0 381.384 3.551 1 0 biogenic,in-vitro GHAFRN COc1cc(Oc2oc3c(C)c(OC)c(C)c(O)c3c(=O)c2OC)ccc1O ZINC000095486282 291132841 /nfs/dbraw/zinc/13/28/41/291132841.db2.gz LDIQOBWOHNWHBO-UHFFFAOYSA-N 0 0 388.372 3.639 1 0 biogenic,in-vitro GHAFRN COc1ccc([C@@H]2C[C@@](Cn3ccnc3)(c3ccc(OC)cc3)N(C)O2)cc1 ZINC000026151310 206301277 /nfs/dbraw/zinc/30/12/77/206301277.db2.gz CNYROMOXLMPVQK-FCHUYYIVSA-N 0 0 379.460 3.804 1 0 GHAFRN CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccccc2Cl)cc1 ZINC000000800847 206323256 /nfs/dbraw/zinc/32/32/56/206323256.db2.gz QVIQMERBPYXMKN-QGZVFWFLSA-N 0 0 396.921 3.735 3 0 GHAFRN CC/C=C(\C)C[C@@H](C)C(=O)[C@H](C)[C@@]1(O)O[C@@H]([C@H](C)C(=O)CC)[C@H](C)[C@H](O)[C@@H]1C ZINC000033955705 206304460 /nfs/dbraw/zinc/30/44/60/206304460.db2.gz BFQWBQIYMSVPOL-HEUYONADSA-N 0 0 396.568 3.910 1 0 GHAFRN CC(=O)Oc1ccc2c(c1)O[C@H](c1ccccc1)C[C@]21CC(C)(C)NC(=O)N1 ZINC000001025396 206342080 /nfs/dbraw/zinc/34/20/80/206342080.db2.gz ABIBKWLLMGTQIY-UGKGYDQZSA-N 0 0 380.444 3.813 3 0 GHAFRN Cc1cc2c(cc1Cl)Sc1nnc(Nc3ccccc3)n1S2(=O)=O ZINC000001865115 206393240 /nfs/dbraw/zinc/39/32/40/206393240.db2.gz PILQBHPXSSBFKZ-UHFFFAOYSA-N 0 0 378.866 3.685 1 0 GHAFRN CCOc1ccc([C@@H]2C[C@H](c3ccc(CC)cc3)Nc3nnnn32)cc1OC ZINC000002915471 206446303 /nfs/dbraw/zinc/44/63/03/206446303.db2.gz CLAZBSVIDYQOSN-MSOLQXFVSA-N 0 0 379.464 3.789 1 0 GHAFRN CCCCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2[C@@H]1C)OCO3 ZINC000003824925 206495410 /nfs/dbraw/zinc/49/54/10/206495410.db2.gz XYVLGNOBBLKALZ-ZDUSSCGKSA-N 0 0 380.448 3.636 1 0 GHAFRN O=C(CCc1nnc(CCC2CCCCC2)o1)N(CCO)Cc1cccs1 ZINC000012593951 206917740 /nfs/dbraw/zinc/91/77/40/206917740.db2.gz ODALNEBOQALUEU-UHFFFAOYSA-N 0 0 391.537 3.598 3 0 GHAFRN COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3OC)[C@@H](C)C(=O)[C@@H]2C)c(OC)c1 ZINC000013451601 206974470 /nfs/dbraw/zinc/97/44/70/206974470.db2.gz CDLFHAJPNMKGLG-LPINMEDASA-N 0 0 399.487 3.948 1 0 GHAFRN C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000013580999 206981784 /nfs/dbraw/zinc/98/17/84/206981784.db2.gz OSNBVSFBVLXMJB-INIZCTEOSA-N 0 0 375.293 3.752 1 0 GHAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccccc2)C1=O ZINC000013732764 206995732 /nfs/dbraw/zinc/99/57/32/206995732.db2.gz NMMBVQWYWVQIEA-OAQYLSRUSA-N 0 0 384.439 3.648 1 0 GHAFRN CC[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O ZINC000013813976 207001477 /nfs/dbraw/zinc/00/14/77/207001477.db2.gz HOKQBDBHVDQCPK-IEBWSBKVSA-N 0 0 397.862 3.938 1 0 GHAFRN CCOc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 ZINC000013862166 207002540 /nfs/dbraw/zinc/00/25/40/207002540.db2.gz IJMYUGUGJPRGSS-UHFFFAOYSA-N 0 0 388.419 3.985 1 0 GHAFRN COc1cc2c(cc1OC)c(-c1ccc3c(c1)OCO3)c1c(c2OC)C(=O)OC1 ZINC000014641000 207024558 /nfs/dbraw/zinc/02/45/58/207024558.db2.gz RHTTTZYNBXNPSZ-UHFFFAOYSA-N 0 0 394.379 3.932 1 0 biogenic,in-vitro GHAFRN CCOC(=O)c1cn2ncnc(Nc3cccc(Br)c3)c2c1CC ZINC000014954020 207032481 /nfs/dbraw/zinc/03/24/81/207032481.db2.gz ZCKGARDCKJFLRH-UHFFFAOYSA-N 0 0 389.253 3.975 1 0 GHAFRN Cc1nnc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)s1 ZINC000017144255 207086598 /nfs/dbraw/zinc/08/65/98/207086598.db2.gz QRKLLEJWPFLBBF-CYBMUJFWSA-N 0 0 397.504 3.649 1 0 GHAFRN O[C@@H](c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026009436 207309177 /nfs/dbraw/zinc/30/91/77/207309177.db2.gz ZWMMBCBECWZTJT-DLBZAZTESA-N 0 0 398.677 3.860 1 0 GHAFRN COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1ccccn1)O2 ZINC000026175778 207309659 /nfs/dbraw/zinc/30/96/59/207309659.db2.gz UCIRLEHFZNLGJE-HXUWFJFHSA-N 0 0 382.441 3.611 1 0 GHAFRN COc1cccc2c1ncc(C(=O)NC(C)(C)CO)c2Nc1ccccc1C ZINC000027079045 207321952 /nfs/dbraw/zinc/32/19/52/207321952.db2.gz DODXTIJOYSCTOF-UHFFFAOYSA-N 0 0 379.460 3.796 1 0 GHAFRN CC(C)OC(=O)n1c2cc(C(=O)N3CCOCC3)oc2c2ccc(Cl)cc21 ZINC000026387293 207313155 /nfs/dbraw/zinc/31/31/55/207313155.db2.gz UMZUDVHYECUQMF-UHFFFAOYSA-N 0 0 390.823 3.906 1 0 GHAFRN CCCCN(CC)c1nc(C)nc2c1n(C)c(=O)n2-c1c(C)cc(C)cc1C ZINC000028016056 207332979 /nfs/dbraw/zinc/33/29/79/207332979.db2.gz LNTVWEBCKCGWPJ-UHFFFAOYSA-N 0 0 381.524 3.979 1 0 GHAFRN CCCCNc1nc(=O)c2cnn3c2n1CC=C3c1cccc(C(F)(F)F)c1 ZINC000027518654 207325472 /nfs/dbraw/zinc/32/54/72/207325472.db2.gz CJEQYUZLBSPOPP-UHFFFAOYSA-N 0 0 389.381 3.727 1 0 GHAFRN CCOc1ccc(Cl)c([C@@H]2C[C@H]2NC(=O)Nc2cc(Cl)cnn2)c1F ZINC000027417030 207326248 /nfs/dbraw/zinc/32/62/48/207326248.db2.gz UKROUTQOUAGVLP-MWLCHTKSSA-N 0 0 385.226 3.999 1 0 GHAFRN CC(C)NC(=O)c1n[nH]c2c1C[C@H]1[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C ZINC000028525938 207344277 /nfs/dbraw/zinc/34/42/77/207344277.db2.gz RWZNAPCKZSTAJD-BDLQGWJCSA-N 0 0 379.504 3.824 1 0 GHAFRN COc1ccc(CN2c3ccccc3N(C)S(=O)(=O)c3cccnc32)cc1 ZINC000028637536 207344868 /nfs/dbraw/zinc/34/48/68/207344868.db2.gz XUEWAMQSKMYOGU-UHFFFAOYSA-N 0 0 381.457 3.567 1 0 GHAFRN CCC(C)(C)Nc1c(=O)c(=O)c1NCc1c(C)cc(Br)cc1C ZINC000028224413 207336179 /nfs/dbraw/zinc/33/61/79/207336179.db2.gz GVYJPLGOTVJROH-SIBCGJTDSA-N 0 0 379.298 3.543 1 0 GHAFRN Cn1nccc1C(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000028468926 207342979 /nfs/dbraw/zinc/34/29/79/207342979.db2.gz PLHQPRZHLVYGEX-UHFFFAOYSA-N 0 0 383.477 3.801 1 0 GHAFRN CCN(C)C(=O)c1n[nH]c2c1C[C@H]1[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C ZINC000028525640 207343378 /nfs/dbraw/zinc/34/33/78/207343378.db2.gz KZDDZXKHYOOBGG-ZQYRFBGISA-N 0 0 379.504 3.777 1 0 GHAFRN O=C1CS[C@@H](c2ccc(F)c(Br)c2)N1CCc1ccccn1 ZINC000028819469 207348315 /nfs/dbraw/zinc/34/83/15/207348315.db2.gz QZJNYAQDQYKPER-INIZCTEOSA-N 0 0 381.270 3.800 1 0 GHAFRN O=C(Nc1ccc(O)cc1O)c1ccc2c(c1)[nH]nc2-c1nc2ccccc2[nH]1 ZINC000028868162 207350194 /nfs/dbraw/zinc/35/01/94/207350194.db2.gz SLYZIWYJXUAXQV-UHFFFAOYSA-N 0 0 385.383 3.770 1 0 GHAFRN CCN1CCc2sc3nc(SC)n(-c4ccc(OC)cc4)c(=O)c3c2C1 ZINC000028948977 207350503 /nfs/dbraw/zinc/35/05/03/207350503.db2.gz GDQIPKXFMSWKAZ-UHFFFAOYSA-N 0 0 387.530 3.556 1 0 GHAFRN O[C@@](Cn1cncn1)(Cn1ccc2cccnc21)c1ccc(Cl)cc1Cl ZINC000028894865 207351601 /nfs/dbraw/zinc/35/16/01/207351601.db2.gz RNDNUZYWUIOJHT-GOSISDBHSA-N 0 0 388.258 3.523 1 0 GHAFRN Cc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnc(NC(C)C)s1 ZINC000029041418 207353943 /nfs/dbraw/zinc/35/39/43/207353943.db2.gz GGZLVZQLKRUGGD-UHFFFAOYSA-N 0 0 398.492 3.510 1 0 GHAFRN COC(=O)CCc1ccc(-c2ccc(N)c(NC(=O)c3cccnc3)c2)cc1 ZINC000029127009 207355233 /nfs/dbraw/zinc/35/52/33/207355233.db2.gz QARFBGSLEQTMCU-UHFFFAOYSA-N 0 0 375.428 3.689 1 0 GHAFRN NC(=[NH2+])Nc1cccc(C(=O)Nc2cc(Cl)c(C=CC(=O)[O-])c(Cl)c2)c1 ZINC000029250356 207358889 /nfs/dbraw/zinc/35/88/89/207358889.db2.gz NWZLNEWWMODGBE-SNAWJCMRSA-N 0 0 393.230 3.649 1 0 GHAFRN COC(=O)c1cccc([C@H]2[C@H](C)NC(=S)N2Nc2cccc(Cl)c2)c1 ZINC000029330540 207359777 /nfs/dbraw/zinc/35/97/77/207359777.db2.gz RHKXMJZFUZIZSP-MEDUHNTESA-N 0 0 375.881 3.773 1 0 GHAFRN COC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)OC)c1ccccc1Cl)C2 ZINC000084724766 208099096 /nfs/dbraw/zinc/09/90/96/208099096.db2.gz PGEVNWYIMMGLEG-INIZCTEOSA-N 0 0 395.864 3.819 1 0 GHAFRN CN1C(=N)N[C@](c2cccc(-c3cccc(Cl)c3)c2)(c2ccccn2)C1=O ZINC000084605138 208094465 /nfs/dbraw/zinc/09/44/65/208094465.db2.gz GEFNKCOBIWZLQI-OAQYLSRUSA-N 0 0 376.847 3.642 1 0 GHAFRN C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C(=O)[C@@H]21 ZINC000095496434 208199374 /nfs/dbraw/zinc/19/93/74/208199374.db2.gz FIHGMZOHBKERKD-FASAQXTFSA-N 0 0 378.403 3.780 1 0 GHAFRN Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2n1C ZINC000095564372 208232592 /nfs/dbraw/zinc/23/25/92/208232592.db2.gz OSFITLUTZVXDRB-SANMLTNESA-N 0 0 383.395 3.526 1 0 GHAFRN CCOC(=O)c1c(O)c2ccc(OC(C)C)cc2nc1-c1ccc2c(c1)OCO2 ZINC000095556708 208232718 /nfs/dbraw/zinc/23/27/18/208232718.db2.gz YXLSEJUGLKKNCR-UHFFFAOYSA-N 0 0 395.411 3.888 1 0 GHAFRN COCCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCC2 ZINC000095562861 208233073 /nfs/dbraw/zinc/23/30/73/208233073.db2.gz LBWNGSFQCGZGLQ-UHFFFAOYSA-N 0 0 378.881 3.519 1 0 GHAFRN Cc1cccc(C)c1NC(=O)[C@@H]1c2ccccc2OCC(=O)N1CC(F)(F)F ZINC000095599949 208237919 /nfs/dbraw/zinc/23/79/19/208237919.db2.gz RHZRHMXEYPCKTR-SFHVURJKSA-N 0 0 392.377 3.767 3 0 GHAFRN CO[C@@]1(C)OC(=O)C(c2ccccc2Cl)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000096923086 208327174 /nfs/dbraw/zinc/32/71/74/208327174.db2.gz BLLSWSNQQQMMQC-IBGZPJMESA-N 0 0 392.860 3.574 1 0 GHAFRN C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](NCC(F)(F)F)CC1 ZINC000101680579 208396113 /nfs/dbraw/zinc/39/61/13/208396113.db2.gz HIXYDBSLZYKHEU-UTUOFQBUSA-N 0 0 381.402 3.602 1 0 GHAFRN CCOc1cc2[n-]c(=S)n(C[C@@H]3CCC[N@@H+]3CC)c(=O)c2cc1OCC ZINC000253530891 209043165 /nfs/dbraw/zinc/04/31/65/209043165.db2.gz WTVPHGGNFBZSTL-ZDUSSCGKSA-N 0 0 377.510 3.753 3 0 GHAFRN CCOC(=O)OC[C@H]1O[C@@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1OC(=O)OCC ZINC000007992132 221022902 /nfs/dbraw/zinc/02/29/02/221022902.db2.gz UBMADRXNHGCFFZ-FGTMMUONSA-N 0 0 392.404 3.600 1 0 GHAFRN CC(C)NC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@H]2CO ZINC000095877848 136182547 /nfs/dbraw/zinc/18/25/47/136182547.db2.gz SDHIXLMLLKTSTH-NYVOZVTQSA-N 0 0 397.494 3.784 1 0 GHAFRN NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N ZINC000073224542 222269359 /nfs/dbraw/zinc/26/93/59/222269359.db2.gz QDFKGLKTIPWNOS-UHFFFAOYSA-N 0 0 394.287 3.921 1 0 GHAFRN CCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2 ZINC000095586847 535435037 /nfs/dbraw/zinc/43/50/37/535435037.db2.gz IVTQRCDGEGHRJA-UHFFFAOYSA-N 0 0 388.471 3.999 1 0 GHAFRN Cc1ccc(C(=O)NCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1 ZINC000045497002 581092858 /nfs/dbraw/zinc/09/28/58/581092858.db2.gz WKRGWNGOAPQILF-UHFFFAOYSA-N 0 0 380.492 3.925 1 0 GHAFRN CCCOc1ccc(-c2csc(C)n2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 ZINC000001541554 581097787 /nfs/dbraw/zinc/09/77/87/581097787.db2.gz LPYZDKJBLZOXSN-UHFFFAOYSA-N 0 0 395.488 3.853 1 0 GHAFRN CC(=O)O[C@@H]1C(=O)[C@@H](C)[C@]2(CC[C@]3(C=COC3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000095914084 291130617 /nfs/dbraw/zinc/13/06/17/291130617.db2.gz FKTKIKZTYBWJGJ-HQGXMBNISA-N 0 0 376.493 3.801 1 0 biogenic,in-vitro GHAFRN CC[C@@H](c1nc2ccccc2c(=O)n1NC(=O)C(C)(C)C)C1(O)CCCCC1 ZINC000001654578 206389070 /nfs/dbraw/zinc/38/90/70/206389070.db2.gz GLPJJKCYLABBOL-INIZCTEOSA-N 0 0 385.508 3.702 1 0 GHAFRN CCOC(=O)c1cc(Br)c(-c2onc(C)c2Br)n1C ZINC000001654372 206388543 /nfs/dbraw/zinc/38/85/43/206388543.db2.gz UUESWILOJVPSEC-UHFFFAOYSA-N 0 0 392.047 3.690 1 0 GHAFRN CC[C@H](C)n1c(SCC(=O)Nc2nccs2)nc2ccsc2c1=O ZINC000002925108 206446476 /nfs/dbraw/zinc/44/64/76/206446476.db2.gz PTZATECGUWHBMP-VIFPVBQESA-N 0 0 380.520 3.616 1 0 GHAFRN CCOc1ccccc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCCC1 ZINC000003049329 206456176 /nfs/dbraw/zinc/45/61/76/206456176.db2.gz VRSDMDQJFQYRTR-OAQYLSRUSA-N 0 0 378.472 3.841 1 0 GHAFRN O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 ZINC000004903767 206568345 /nfs/dbraw/zinc/56/83/45/206568345.db2.gz WBHGYHORSKVTON-QXUMQBBKSA-N 0 0 378.403 3.614 1 0 GHAFRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000004979829 206580211 /nfs/dbraw/zinc/58/02/11/206580211.db2.gz GGXAALFNHOXMQN-UXLLHSPISA-N 0 0 398.459 3.630 1 0 GHAFRN COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(N)=O)cc1 ZINC000026662910 207317631 /nfs/dbraw/zinc/31/76/31/207317631.db2.gz ZQGWACWMMMYJEV-UHFFFAOYSA-N 0 0 375.450 3.575 1 0 GHAFRN CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 ZINC000026491023 207315209 /nfs/dbraw/zinc/31/52/09/207315209.db2.gz SFPPRZXHFSIYOL-UHFFFAOYSA-N 0 0 375.469 3.555 1 0 GHAFRN O=C(c1c(F)cccc1F)N1CCn2c(cnc2-c2ccc(F)cc2F)C1 ZINC000028708584 207346543 /nfs/dbraw/zinc/34/65/43/207346543.db2.gz RVIBUJJGRLTJHC-UHFFFAOYSA-N 0 0 375.325 3.763 1 0 GHAFRN O=c1[nH]c(=O)c(Cc2cccc(Cl)c2)c(N2CCC(c3ccccc3)CC2)[nH]1 ZINC000028708009 207346958 /nfs/dbraw/zinc/34/69/58/207346958.db2.gz IRZVQRHERMOSEM-UHFFFAOYSA-N 0 0 395.890 3.691 1 0 GHAFRN O=C(Nc1ccc2[nH]c3c(c2c1)CCNC3=O)NC12CC3CC(CC(C3)C1)C2 ZINC000028820123 207348804 /nfs/dbraw/zinc/34/88/04/207348804.db2.gz ITRWUSNGYHQYCD-UHFFFAOYSA-N 0 0 378.476 3.544 1 0 GHAFRN Cn1ccnc1Sc1cc(C(=O)Nc2c(F)cccc2F)c(N)cc1F ZINC000028871952 207349517 /nfs/dbraw/zinc/34/95/17/207349517.db2.gz RJJRYPRZNBGTHM-UHFFFAOYSA-N 0 0 378.379 3.823 1 0 GHAFRN NC(=O)c1ccc(-n2c3ccc(F)cc3c3c2CCCC3=O)cc1NC1CC1 ZINC000029047866 207353141 /nfs/dbraw/zinc/35/31/41/207353141.db2.gz BQAQEYGSGZBCKY-UHFFFAOYSA-N 0 0 377.419 3.962 1 0 GHAFRN CCCC1=NC2(CC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000029312939 207361176 /nfs/dbraw/zinc/36/11/76/207361176.db2.gz PXIWCLNSWXRBLD-UHFFFAOYSA-N 0 0 386.459 3.607 1 0 GHAFRN CC(C)Oc1ccc(Cn2cnc3c2nc(C(F)(F)F)nc3N(C)C)cc1 ZINC000029464472 207361782 /nfs/dbraw/zinc/36/17/82/207361782.db2.gz ONKOFVASMCQJJO-UHFFFAOYSA-N 0 0 379.386 3.747 1 0 GHAFRN C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2C[C@@H]1C[C@]1(C(=O)[O-])c1ccccc1 ZINC000029486818 207362423 /nfs/dbraw/zinc/36/24/23/207362423.db2.gz ZUWPOKDKYNJHSJ-CLBOXYFTSA-N 0 0 391.511 3.959 1 0 GHAFRN CS(=O)(=O)Nc1ccc(-c2cc(C(F)F)nn2-c2ccc(F)cc2)cc1 ZINC000029409528 207363683 /nfs/dbraw/zinc/36/36/83/207363683.db2.gz IHEQQWPXFXNIGY-UHFFFAOYSA-N 0 0 381.379 3.988 1 0 GHAFRN O=C(Cc1ccccc1)N1CCCC12CCN(c1cnc3ccccc3n1)CC2 ZINC000034894368 207478647 /nfs/dbraw/zinc/47/86/47/207478647.db2.gz VRTJHLLEIUDQMQ-UHFFFAOYSA-N 0 0 386.499 3.834 1 0 GHAFRN Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1ccc(NCCc3ccncc3)cc1-2 ZINC000049088883 207706809 /nfs/dbraw/zinc/70/68/09/207706809.db2.gz SGCKFTQBQUYCKZ-UHFFFAOYSA-N 0 0 393.450 3.987 1 0 GHAFRN CC(=O)N[C@@H](C)c1cccc(-c2nc3c(nc(N(C)C)c4ncn(C)c34)s2)c1 ZINC000066258607 207880794 /nfs/dbraw/zinc/88/07/94/207880794.db2.gz YLSXXNXXOXSCDP-NSHDSACASA-N 0 0 394.504 3.508 1 0 GHAFRN COc1ccc(N2C(=O)C(C)(C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000066258744 207881287 /nfs/dbraw/zinc/88/12/87/207881287.db2.gz OBGJMXCYVLSENG-LJQANCHMSA-N 0 0 387.432 3.541 1 0 GHAFRN O=C1N(Cc2ccc(Cl)s2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 ZINC000071332723 207939269 /nfs/dbraw/zinc/93/92/69/207939269.db2.gz TULDBBHYLQHVBO-HXUWFJFHSA-N 0 0 399.855 3.913 1 0 GHAFRN CCOc1cccc(-c2cccc([C@@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 ZINC000084604227 208093773 /nfs/dbraw/zinc/09/37/73/208093773.db2.gz RSZKDIKHNMINHT-XMMPIXPASA-N 0 0 385.467 3.992 1 0 GHAFRN C[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 ZINC000095552495 208232207 /nfs/dbraw/zinc/23/22/07/208232207.db2.gz VWRJSJAYKVMVKJ-TWLOVUBOSA-N 0 0 378.472 3.654 1 0 GHAFRN Cc1ccc2c(c1)/C(=C\c1ccc(CN3C(=O)C(=O)c4ccccc43)o1)C(=O)N2 ZINC000095559474 208233484 /nfs/dbraw/zinc/23/34/84/208233484.db2.gz VZNZPSDADMEYER-WOJGMQOQSA-N 0 0 384.391 3.810 1 0 GHAFRN CC(C)Oc1cccc(-c2ccc3c(c2)[C@]2(CC(C)(C)O3)NC(=N)N(C)C2=O)c1 ZINC000095601057 208238095 /nfs/dbraw/zinc/23/80/95/208238095.db2.gz GCAUJEMXKJNLPV-QHCPKHFHSA-N 0 0 393.487 3.684 1 0 GHAFRN CCOc1cc2c(cc1-c1ccccc1)[nH]nc2-c1cccc(S(N)(=O)=O)c1 ZINC000096270045 208301065 /nfs/dbraw/zinc/30/10/65/208301065.db2.gz XFOJMXXNZBEGDH-UHFFFAOYSA-N 0 0 393.468 3.943 1 0 GHAFRN O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)N1Cc2ccccc2C1 ZINC000096283109 208302577 /nfs/dbraw/zinc/30/25/77/208302577.db2.gz HVOYCRDUPXJFLU-UHFFFAOYSA-N 0 0 392.480 3.745 1 0 GHAFRN COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2cc(C(C)C)nn21 ZINC000096933392 208329370 /nfs/dbraw/zinc/32/93/70/208329370.db2.gz BMQQLAKKPBQYND-UHFFFAOYSA-N 0 0 395.246 3.659 1 0 GHAFRN CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1F)Cc1c-3nc2ccccc2c1C(C)C ZINC000096934893 208331868 /nfs/dbraw/zinc/33/18/68/208331868.db2.gz OYTUWGGVWJLJKO-PKTZIBPZSA-N 0 0 394.446 3.972 1 0 GHAFRN CC(C)CNC(=O)[C@H](c1ccc(Cl)cc1)n1c(=O)[nH]c2cc(Cl)ccc21 ZINC000096905532 208326585 /nfs/dbraw/zinc/32/65/85/208326585.db2.gz YOBFCCFXVSZDHJ-KRWDZBQOSA-N 0 0 392.286 3.998 1 0 GHAFRN Cc1cnc(C(=O)Nc2ccc(Oc3ccc4c(C)cc(=O)oc4c3)nc2)cn1 ZINC000098082394 208368364 /nfs/dbraw/zinc/36/83/64/208368364.db2.gz LPVAIEVFFQISEF-UHFFFAOYSA-N 0 0 388.383 3.639 1 0 GHAFRN COc1cccc([C@@]2(O)C(OC)=C[C@H]3C(=O)[C@@H]2[C@@H]2c4ccccc4C[C@@]32C)c1 ZINC000169334224 208730964 /nfs/dbraw/zinc/73/09/64/208730964.db2.gz YXHJCKFOMVXQFS-LLKPKUTRSA-N 0 0 376.452 3.588 1 0 GHAFRN C[C@H]1C(=O)Nc2ccc(F)cc2N1S(=O)(=O)c1cc(Cl)sc1Cl ZINC000040972606 132409961 /nfs/dbraw/zinc/40/99/61/132409961.db2.gz BYAIBPBAWOJFDH-LURJTMIESA-N 0 0 395.264 3.730 1 0 GHAFRN Cc1ccc(Cl)cc1N1CCN(c2ncnc3n[nH]c(C(F)(F)F)c32)CC1 ZINC000084615825 136174982 /nfs/dbraw/zinc/17/49/82/136174982.db2.gz BXXGWPDHOXTRRE-UHFFFAOYSA-N 0 0 396.804 3.660 1 0 GHAFRN CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1 ZINC000095562986 136182046 /nfs/dbraw/zinc/18/20/46/136182046.db2.gz VRBKKJSGMYCOFW-UHFFFAOYSA-N 0 0 389.459 3.682 1 0 GHAFRN CS(=O)(=O)NCCCN1c2ccccc2Sc2cc3ccccc3nc21 ZINC000096905905 136187689 /nfs/dbraw/zinc/18/76/89/136187689.db2.gz BYNZUNDQKXIOLE-UHFFFAOYSA-N 0 0 385.514 3.777 1 0 GHAFRN CCOC(=O)N1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc(O)c(OC)cc1-3 ZINC000095911404 291131601 /nfs/dbraw/zinc/13/16/01/291131601.db2.gz UFWONZIDIFDXHK-HNNXBMFYSA-N 0 0 399.443 3.697 1 0 biogenic,in-vitro GHAFRN COc1cc(NS(C)(=O)=O)ccc1N1Cc2c[nH]c3ccc4nccc1c4c23 ZINC000001863791 206392953 /nfs/dbraw/zinc/39/29/53/206392953.db2.gz RKJDOUZCQVZPFF-UHFFFAOYSA-N 0 0 394.456 3.748 1 0 GHAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](C(=O)NCc1ccco1)[C@@H]2O ZINC000013681768 206988513 /nfs/dbraw/zinc/98/85/13/206988513.db2.gz JKEJHEHCKBFOBU-MLPUIEGLSA-N 0 0 395.499 3.745 1 0 in-vivo GHAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000013601561 206982947 /nfs/dbraw/zinc/98/29/47/206982947.db2.gz HEQSEDTWLQNFTP-FQEVSTJZSA-N 0 0 389.842 3.886 1 0 GHAFRN COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H](C(C)C)[C@@H](CO)[C@@H]3[C@@H](CO)C[C@H]12 ZINC000016930879 207079534 /nfs/dbraw/zinc/07/95/34/207079534.db2.gz LSEZDZDSBYJFOM-AYBRLOSXSA-N 0 0 380.569 3.891 1 0 GHAFRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3[C@@H](C)[C@]4(O)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000017377175 207090068 /nfs/dbraw/zinc/09/00/68/207090068.db2.gz PPWXHEFVBQBHDR-FRWFSQQFSA-N 0 0 392.536 3.863 1 0 GHAFRN COC(=O)Nc1nc2cc(C(=O)Nc3nc4ccc(OC)cc4s3)ccc2[nH]1 ZINC000026025775 207307972 /nfs/dbraw/zinc/30/79/72/207307972.db2.gz MJXSZBHYNUJSDH-UHFFFAOYSA-N 0 0 397.416 3.612 1 0 GHAFRN COc1cc2c(c(OC)c1OC)[C@H](c1cccc(Br)c(=O)c1)CC2 ZINC000027331605 207323227 /nfs/dbraw/zinc/32/32/27/207323227.db2.gz BOZGJNALOLSZHH-ZDUSSCGKSA-N 0 0 391.261 3.913 1 0 GHAFRN C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]2[C@@H](OC(=O)C2CC2)C1 ZINC000027981951 207333469 /nfs/dbraw/zinc/33/34/69/207333469.db2.gz DHTCRYGDMZYDPH-AFPFCRLMSA-N 0 0 388.504 3.559 1 0 GHAFRN O=C1Nc2ccccc2C(c2ccccc2F)=N[C@H]1CNc1cnc(Cl)cn1 ZINC000027520953 207325757 /nfs/dbraw/zinc/32/57/57/207325757.db2.gz PKPCNUPLPQWEMV-INIZCTEOSA-N 0 0 395.825 3.539 1 0 GHAFRN CC(C)NC(=O)c1n[nH]c2c1C[C@@H]1[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C ZINC000028525937 207343772 /nfs/dbraw/zinc/34/37/72/207343772.db2.gz RWZNAPCKZSTAJD-QQSSDERHSA-N 0 0 379.504 3.824 1 0 GHAFRN O=C(c1cc(=O)c2cc(O)ccc2[nH]1)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000028817943 207347663 /nfs/dbraw/zinc/34/76/63/207347663.db2.gz SFVDRVNMUZDDKU-UHFFFAOYSA-N 0 0 398.846 3.571 1 0 GHAFRN CO[C@]1(c2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccccc3)n2)CCCO1 ZINC000028457454 207341807 /nfs/dbraw/zinc/34/18/07/207341807.db2.gz QDMFOZHJPFKASC-OAQYLSRUSA-N 0 0 398.484 3.552 1 0 GHAFRN CC(C)NC(=O)c1n[nH]c2c1C[C@@H]1[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C ZINC000028525935 207343362 /nfs/dbraw/zinc/34/33/62/207343362.db2.gz RWZNAPCKZSTAJD-MUCNXURCSA-N 0 0 379.504 3.824 1 0 GHAFRN COc1ccc(-n2cc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2=O)cc1Cl ZINC000029038183 207353307 /nfs/dbraw/zinc/35/33/07/207353307.db2.gz LHLCEHKYUBLTRY-UHFFFAOYSA-N 0 0 390.823 3.520 1 0 GHAFRN CCn1c2cc(OC)ccc2c(N)c1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000029136132 207358364 /nfs/dbraw/zinc/35/83/64/207358364.db2.gz ZKFGUBPGNUZQMW-UHFFFAOYSA-N 0 0 384.432 3.509 1 0 GHAFRN O=C(NCCCn1c2ccccc2c2c1[C@@H]1CCCCN1CC2=O)c1ccco1 ZINC000029217232 207358959 /nfs/dbraw/zinc/35/89/59/207358959.db2.gz QCCCTOUYTJLRDK-SFHVURJKSA-N 0 0 391.471 3.778 1 0 GHAFRN CO[C@@]1(c2cccc[n+]2[O-])CC(C)(C)C(=O)c2ccc(Br)cc21 ZINC000029486071 207362118 /nfs/dbraw/zinc/36/21/18/207362118.db2.gz WLVJGSLLMSECRK-SFHVURJKSA-N 0 0 376.250 3.585 1 0 GHAFRN CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c43)[C@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000029566609 207365464 /nfs/dbraw/zinc/36/54/64/207365464.db2.gz LELBFTMXCIIKKX-LVTAGTOFSA-N 0 0 398.503 3.825 1 0 GHAFRN C[C@@H]1[C@H](N2CCCC2)Oc2cc3c(cc2[C@@H]1c1ccc2c(c1)OCO2)OCO3 ZINC000031860875 207386418 /nfs/dbraw/zinc/38/64/18/207386418.db2.gz HUHDVMDXIICRPL-QVXRUGPVSA-N 0 0 381.428 3.726 1 0 GHAFRN COC(=O)c1cc(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn12 ZINC000038225149 207559073 /nfs/dbraw/zinc/55/90/73/207559073.db2.gz ZGKPTXMPUGASBN-UHFFFAOYSA-N 0 0 393.395 3.975 1 0 GHAFRN COC(=O)/C=C/c1cc2n(c1)-c1c(-c3ccc(OC)c(O)c3)csc1C2=O ZINC000045355605 207655742 /nfs/dbraw/zinc/65/57/42/207655742.db2.gz GLFZWVFCVUPJNZ-ZZXKWVIFSA-N 0 0 381.409 3.651 1 0 GHAFRN C=COC[C@@H]1CN2[C@H](CC[C@H](C)[C@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000064581862 207804705 /nfs/dbraw/zinc/80/47/05/207804705.db2.gz SPKPHTNWIHVLNS-SJWGOKEGSA-N 0 0 380.282 3.676 1 0 GHAFRN O=c1[nH]nc(-c2ccnc(Nc3nccs3)c2)n1-c1ccc2ccccc2c1 ZINC000066263182 207880786 /nfs/dbraw/zinc/88/07/86/207880786.db2.gz NDINXVZGAZZFMK-UHFFFAOYSA-N 0 0 386.440 3.976 1 0 GHAFRN CC(C)(C)OC(=O)N1CCC(C2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC000071333737 207939960 /nfs/dbraw/zinc/93/99/60/207939960.db2.gz WQRJQIVAIVUPIZ-UHFFFAOYSA-N 0 0 387.524 3.649 1 0 GHAFRN CN(C)c1ccc(-c2nnc(Cc3nnc(-c4ccc(N(C)C)cc4)o3)o2)cc1 ZINC000071340915 207938676 /nfs/dbraw/zinc/93/86/76/207938676.db2.gz OUHROTXXYDXJAH-UHFFFAOYSA-N 0 0 390.447 3.509 1 0 GHAFRN CCOc1cccc(-c2cccc([C@]3(c4ccccc4)NC(=N)N(C)C3=O)c2)c1 ZINC000084604229 208093225 /nfs/dbraw/zinc/09/32/25/208093225.db2.gz RSZKDIKHNMINHT-DEOSSOPVSA-N 0 0 385.467 3.992 1 0 GHAFRN CC(C)CS(=O)(=O)c1ccc2[nH]c(N3CCO[C@H](c4ccccc4)C3)nc2c1 ZINC000095576162 208234430 /nfs/dbraw/zinc/23/44/30/208234430.db2.gz FYQMEPATKVNLTL-FQEVSTJZSA-N 0 0 399.516 3.571 1 0 GHAFRN Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccccc3)O[C@H]3CCCC[C@@H]32)cc1 ZINC000095568394 208234621 /nfs/dbraw/zinc/23/46/21/208234621.db2.gz MISPHNCGNICDIS-BVSLBCMMSA-N 0 0 399.512 3.926 3 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000095570493 208234939 /nfs/dbraw/zinc/23/49/39/208234939.db2.gz TYOAVIIXHGCKKI-GOSISDBHSA-N 0 0 391.876 3.575 3 0 GHAFRN Cc1ccnc(NC(=S)N[C@H]2CCN(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000095569408 208234984 /nfs/dbraw/zinc/23/49/84/208234984.db2.gz WAUNGLHJPGJLRU-AWEZNQCLSA-N 0 0 380.439 3.974 1 0 GHAFRN NS(=O)(=O)c1cccc(Nc2nnc(-c3ccccc3)c3ccccc32)c1 ZINC000095588815 208236459 /nfs/dbraw/zinc/23/64/59/208236459.db2.gz QEWZMNOGZNLSCF-UHFFFAOYSA-N 0 0 376.441 3.688 1 0 GHAFRN C[C@H]1CCN(C2[C@@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 ZINC000095592170 208237519 /nfs/dbraw/zinc/23/75/19/208237519.db2.gz JJXYNYARGQTPAD-JYXFHLNRSA-N 0 0 391.515 3.761 1 0 GHAFRN Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccnc2)c1C(=O)NC1CCCCC1 ZINC000095599647 208238169 /nfs/dbraw/zinc/23/81/69/208238169.db2.gz CEDKFOSXWLIJLM-UHFFFAOYSA-N 0 0 388.471 3.952 3 0 GHAFRN C=COC[C@@H]1CN2[C@@H](c3ccc(Br)cc3)[C@H](C)CC[C@H]2C(=O)O1 ZINC000096900363 208325297 /nfs/dbraw/zinc/32/52/97/208325297.db2.gz SPKPHTNWIHVLNS-ISWURRPUSA-N 0 0 380.282 3.676 1 0 GHAFRN COc1ccc(N2C=C(c3ccccc3)[C@@H]3c4n[nH]c(=S)n4C=N[C@H]32)cc1 ZINC000098084933 208367620 /nfs/dbraw/zinc/36/76/20/208367620.db2.gz GTXQUBAOHMTCML-ROUUACIJSA-N 0 0 375.457 3.810 1 0 GHAFRN C[C@H]1CC[C@H](NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1 ZINC000101195118 208390219 /nfs/dbraw/zinc/39/02/19/208390219.db2.gz IIYIIIMKUDAFCY-GLRZTSSQSA-N 0 0 393.462 3.892 1 0 GHAFRN Fc1ccc(CCOc2cncc3nnc(N4Cc5ccccc5C4)n32)cc1F ZINC000103303036 208423395 /nfs/dbraw/zinc/42/33/95/208423395.db2.gz JAQFKPHMBHLZPF-UHFFFAOYSA-N 0 0 393.397 3.544 1 0 GHAFRN O=C1C(=O)N(c2ccccc2-n2cccc2)CCN1Cc1ccc(F)cc1Cl ZINC000095566080 136182060 /nfs/dbraw/zinc/18/20/60/136182060.db2.gz FNOAVSIUQCEOHC-UHFFFAOYSA-N 0 0 397.837 3.645 1 0 GHAFRN Cn1cc(-c2ccc(N3CCC(c4noc5ccc(F)cc54)CC3)nn2)cn1 ZINC000103241865 136190952 /nfs/dbraw/zinc/19/09/52/136190952.db2.gz BCMSTTNXNSZKPL-UHFFFAOYSA-N 0 0 378.411 3.541 1 0 GHAFRN CCCc1cc(=O)oc2c3c(c(C(=O)[C@H](C)CC)c(O)c12)O[C@H](C(C)(C)O)C3 ZINC000014584374 574413495 /nfs/dbraw/zinc/41/34/95/574413495.db2.gz KTJYLXIAFCVVBF-RISCZKNCSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1)C1CCCCC1 ZINC000027557942 581101990 /nfs/dbraw/zinc/10/19/90/581101990.db2.gz OQVHIQBTTGZGJM-FQEVSTJZSA-N 0 0 385.504 3.693 1 0 GHAFRN CCOc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc32)cc1 ZINC000013820998 206297406 /nfs/dbraw/zinc/29/74/06/206297406.db2.gz VFASDAXIYZCLJJ-UHFFFAOYSA-N 0 0 392.499 3.912 1 0 GHAFRN Cc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)n1 ZINC000004056781 206499467 /nfs/dbraw/zinc/49/94/67/206499467.db2.gz WNNJYIBGIOAJNQ-FGZHOGPDSA-N 0 0 383.451 3.866 3 0 GHAFRN CCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1ccccc1C ZINC000004077652 206501810 /nfs/dbraw/zinc/50/18/10/206501810.db2.gz QCEMCXOPZWHPJH-UHFFFAOYSA-N 0 0 380.444 3.531 3 0 GHAFRN Cc1c(C[NH2+]C[C@H]2CCCO2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000006806764 206679735 /nfs/dbraw/zinc/67/97/35/206679735.db2.gz OCUMWZLSHQKXED-MRXNPFEDSA-N 0 0 394.874 3.913 1 0 GHAFRN COc1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1OC ZINC000013736921 206995714 /nfs/dbraw/zinc/99/57/14/206995714.db2.gz XAHLIEKCGZROOQ-UHFFFAOYSA-N 0 0 376.408 3.841 1 0 GHAFRN O=c1[nH]c2c(c3nc(-c4ccc(Cl)cc4)nn31)CN(Cc1ccccc1)CC2 ZINC000013824554 207000462 /nfs/dbraw/zinc/00/04/62/207000462.db2.gz HAMWQFHKHHHQIG-UHFFFAOYSA-N 0 0 391.862 3.709 1 0 GHAFRN CC(C)CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000013864523 207002063 /nfs/dbraw/zinc/00/20/63/207002063.db2.gz ONNFKCYTAUOSTA-UHFFFAOYSA-N 0 0 384.505 3.696 1 0 GHAFRN Cc1c(Oc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nc2ccccc2[n+]1[O-] ZINC000013832524 207002296 /nfs/dbraw/zinc/00/22/96/207002296.db2.gz VTKOMFDYJWKCKL-UHFFFAOYSA-N 0 0 396.410 3.816 1 0 GHAFRN COc1ccccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1 ZINC000013762124 206998181 /nfs/dbraw/zinc/99/81/81/206998181.db2.gz UQBYHHQPCFRQSU-UHFFFAOYSA-N 0 0 396.390 3.970 1 0 GHAFRN NC(=O)c1ccc(NC(=O)CC23C[C@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 ZINC000018284074 207097650 /nfs/dbraw/zinc/09/76/50/207097650.db2.gz RAILBAXICQKLOZ-NFAYLAGKSA-N 0 0 391.309 3.848 1 0 GHAFRN COc1ccc(Cn2nnnc2[C@H](c2cccs2)N2CCCCCC2)cc1 ZINC000020098577 207176970 /nfs/dbraw/zinc/17/69/70/207176970.db2.gz NTMIHKNOSOBCRF-IBGZPJMESA-N 0 0 383.521 3.757 3 0 GHAFRN O[C@@H](c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026008868 207308233 /nfs/dbraw/zinc/30/82/33/207308233.db2.gz CUSOKRAHVMJAMY-DLBZAZTESA-N 0 0 398.677 3.860 1 0 GHAFRN COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1ccccn1)O2 ZINC000026175781 207310730 /nfs/dbraw/zinc/31/07/30/207310730.db2.gz UCIRLEHFZNLGJE-FQEVSTJZSA-N 0 0 382.441 3.611 1 0 GHAFRN COc1cc(-c2nc3c(c(=O)[nH]2)[C@H]2CC[C@H](C)C[C@@H]2S3)cc(OC)c1OC ZINC000028524128 207344017 /nfs/dbraw/zinc/34/40/17/207344017.db2.gz DAINHDZFXKCXJQ-WBIUFABUSA-N 0 0 388.489 3.841 1 0 GHAFRN CN(C)c1nc2ccnc(-c3cc(Br)c(Br)[nH]3)c2[nH]1 ZINC000028705364 207346613 /nfs/dbraw/zinc/34/66/13/207346613.db2.gz OUCXFECMGUMGCK-UHFFFAOYSA-N 0 0 385.063 3.544 1 0 GHAFRN CN(C)c1ccc(-c2cn(-c3ccc(I)cc3)nn2)cc1 ZINC000028701626 207347315 /nfs/dbraw/zinc/34/73/15/207347315.db2.gz CYZPPNNYNROOSN-UHFFFAOYSA-N 0 0 390.228 3.605 1 0 GHAFRN CS(=O)(=O)c1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl ZINC000029126250 207354858 /nfs/dbraw/zinc/35/48/58/207354858.db2.gz CQXQIZJTNNTUSP-UHFFFAOYSA-N 0 0 397.287 3.590 1 0 GHAFRN Clc1ccc(N2CCN(CN3CCN(c4ccc(Cl)cc4)C3)C2)cc1 ZINC000029132156 207355563 /nfs/dbraw/zinc/35/55/63/207355563.db2.gz OEWCABJGPLJHOB-UHFFFAOYSA-N 0 0 377.319 3.810 1 0 GHAFRN CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2N)cc1 ZINC000029126814 207356111 /nfs/dbraw/zinc/35/61/11/207356111.db2.gz PKBZMFNXHQKGDC-UHFFFAOYSA-N 0 0 388.427 3.732 1 0 GHAFRN CO[C@]1(c2cccc[n+]2[O-])CC(C)(C)C(=O)c2ccc(Br)cc21 ZINC000029486074 207363173 /nfs/dbraw/zinc/36/31/73/207363173.db2.gz WLVJGSLLMSECRK-GOSISDBHSA-N 0 0 376.250 3.585 1 0 GHAFRN COc1ccc(N(C(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c(OC)c1 ZINC000040897840 207613594 /nfs/dbraw/zinc/61/35/94/207613594.db2.gz QWXDWEPEAHOPQE-MRXNPFEDSA-N 0 0 396.487 3.798 1 0 GHAFRN CCNC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2NCC)c1 ZINC000064559807 207802248 /nfs/dbraw/zinc/80/22/48/207802248.db2.gz COXLZDQSOZECDT-UHFFFAOYSA-N 0 0 391.475 3.615 1 0 GHAFRN C(CNCc1nnnn1Cc1ccccc1)=C(c1ccccc1)c1ccccc1 ZINC000073163003 208032693 /nfs/dbraw/zinc/03/26/93/208032693.db2.gz XJCINLQQKJQYFL-UHFFFAOYSA-N 0 0 381.483 3.943 1 0 GHAFRN CCc1ccc2c(c1)NC(=O)Cc1cnc(Nc3ccc(OC)c(OC)c3)nc1-2 ZINC000073199294 208034848 /nfs/dbraw/zinc/03/48/48/208034848.db2.gz AYCAETNDBSEFRY-UHFFFAOYSA-N 0 0 390.443 3.961 1 0 GHAFRN O=C(Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn21)c1ccccc1 ZINC000082158866 208083218 /nfs/dbraw/zinc/08/32/18/208083218.db2.gz GDLVJMXEOLUIFY-UHFFFAOYSA-N 0 0 398.382 3.824 1 0 GHAFRN CCCN1Cc2cc(OC)c3c(c2-c2c4c(c(OC)cc2C1)OCO4)OCO3 ZINC000084604353 208093898 /nfs/dbraw/zinc/09/38/98/208093898.db2.gz PMFSJWVSOPDBDX-UHFFFAOYSA-N 0 0 385.416 3.554 1 0 GHAFRN Cc1c(F)cc(C(=O)NC2CC2)cc1-c1c(F)cn2c(nnc2C2CC2)c1F ZINC000084733732 208097254 /nfs/dbraw/zinc/09/72/54/208097254.db2.gz QTIIUIIJMGLVNE-UHFFFAOYSA-N 0 0 386.377 3.892 1 0 GHAFRN Cc1cccc(C)c1NC(=O)[C@H](c1ccnc2ccccc21)N1CCN(C)CC1 ZINC000095570578 208234633 /nfs/dbraw/zinc/23/46/33/208234633.db2.gz DPUUOFPEJZXVTM-QHCPKHFHSA-N 0 0 388.515 3.779 3 0 GHAFRN COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(C(C)C)C(=N)N2)cc1 ZINC000095575144 208235005 /nfs/dbraw/zinc/23/50/05/208235005.db2.gz SFBOKXSMKXLXQE-HSZRJFAPSA-N 0 0 385.471 3.821 1 0 GHAFRN Cn1nc(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2c1=O ZINC000095598394 208238086 /nfs/dbraw/zinc/23/80/86/208238086.db2.gz ITPNOODNTKSDGX-UHFFFAOYSA-N 0 0 395.768 3.787 1 0 GHAFRN O=C([O-])c1cn(CC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000096906830 208327874 /nfs/dbraw/zinc/32/78/74/208327874.db2.gz UKRNJCRAGBOTSN-UHFFFAOYSA-N 0 0 376.456 3.612 1 0 GHAFRN COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OC(=O)c2ccccc2)cc1 ZINC000101627277 208396646 /nfs/dbraw/zinc/39/66/46/208396646.db2.gz PNBPYOLPWDNNBM-GMQRBVGNSA-N 0 0 390.399 3.609 1 0 aggregator GHAFRN O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)[C@@H]1C[C@H]1c1cccnc1 ZINC000103241107 208422016 /nfs/dbraw/zinc/42/20/16/208422016.db2.gz YERMBKYNILMCNC-VQTJNVASSA-N 0 0 378.453 3.657 1 0 GHAFRN Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@@]23c2ccc(F)cc2)cc1 ZINC000103226499 208418759 /nfs/dbraw/zinc/41/87/59/208418759.db2.gz VZLXXLPUGXRTCA-DEOSSOPVSA-N 0 0 386.426 3.947 1 0 GHAFRN O=C1N[C@@H](Cc2c3ccccc3[nH]c2-c2ccccc2Cl)C(=O)N2CCC[C@@H]12 ZINC000103300875 208423985 /nfs/dbraw/zinc/42/39/85/208423985.db2.gz OQGQXJLSSMJFNO-OALUTQOASA-N 0 0 393.874 3.520 1 0 GHAFRN O=c1nc2ccc(Br)cn2cc1Cc1ccc(Br)cc1 ZINC000169331042 208730920 /nfs/dbraw/zinc/73/09/20/208730920.db2.gz XMYMINTTWQRLJN-UHFFFAOYSA-N 0 0 394.066 3.810 1 0 GHAFRN COC(=O)C1=C[C@@H]([C@H](C)[C@@H](OC)c2ccccc2Br)[C@H]2OCC[C@@H]12 ZINC000195471549 208810696 /nfs/dbraw/zinc/81/06/96/208810696.db2.gz FFAUBCGVXAVMOB-BAAZUTBUSA-N 0 0 395.293 3.907 1 0 GHAFRN O=C1C(=O)N(c2ccc(F)cc2Cl)CCN1Cc1ccc(F)cc1Cl ZINC000095565871 136182127 /nfs/dbraw/zinc/18/21/27/136182127.db2.gz GVBXBPLPSFMZRO-UHFFFAOYSA-N 0 0 385.197 3.647 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1 ZINC000095570704 136182220 /nfs/dbraw/zinc/18/22/20/136182220.db2.gz WFCZZDLFANYGCX-UHFFFAOYSA-N 0 0 396.347 3.919 1 0 GHAFRN Cc1ncc(-c2ccnc(Nc3ccc(C(=O)NC4CC4)cc3)n2)n1C(C)C ZINC000040423120 581091421 /nfs/dbraw/zinc/09/14/21/581091421.db2.gz AVBAKIPEZOKYCC-UHFFFAOYSA-N 0 0 376.464 3.865 1 0 GHAFRN Cc1ccc(C(=O)N2c3ccccc3[N@H+](C)n3cccc3[C@@H]2CC(=O)[O-])cc1 ZINC000001629072 206387620 /nfs/dbraw/zinc/38/76/20/206387620.db2.gz FANIRVVWIAOEGC-FQEVSTJZSA-N 0 0 375.428 3.872 1 0 GHAFRN CN(C)c1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 ZINC000013862159 207001896 /nfs/dbraw/zinc/00/18/96/207001896.db2.gz LDFQKWZBJKYIRX-UHFFFAOYSA-N 0 0 387.435 3.652 1 0 GHAFRN C=C[S@@](=O)c1cc2c(cn1)ncnc2Nc1cccc(Br)c1 ZINC000013861839 207002031 /nfs/dbraw/zinc/00/20/31/207002031.db2.gz UIYHGNBEHXNFBN-QFIPXVFZSA-N 0 0 375.251 3.782 1 0 GHAFRN C[C@H]1CN(C(=O)c2cn3c4c2cccc4OC[C@H]3C2CCCCC2)CCN1C ZINC000013983273 207005422 /nfs/dbraw/zinc/00/54/22/207005422.db2.gz GQNZJQBYGQAYKX-JXFKEZNVSA-N 0 0 381.520 3.931 1 0 GHAFRN CCN(CC)[C@H]1Oc2cc3c(cc2[C@H](c2cccc(OC)c2O)[C@@H]1C)OCO3 ZINC000017252857 207088589 /nfs/dbraw/zinc/08/85/89/207088589.db2.gz WPDLZCMMCBSTQN-JYYJXNPCSA-N 0 0 385.460 3.958 1 0 GHAFRN COc1ccc([C@H]2[C@@H](C(=O)N3CCC[C@@H](C)C3)c3ccccc3C(=O)N2C)cc1 ZINC000020108952 207177926 /nfs/dbraw/zinc/17/79/26/207177926.db2.gz PDMKSBLUHPWREW-XGRCMKMKSA-N 0 0 392.499 3.864 1 0 GHAFRN COc1cccc(Cn2c(C)c(C[NH2+]CCc3ccco3)c(C(=O)[O-])c2C)c1 ZINC000020415698 207191817 /nfs/dbraw/zinc/19/18/17/207191817.db2.gz BWCOVWUJAXKIKG-UHFFFAOYSA-N 0 0 382.460 3.785 1 0 GHAFRN CCC[C@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026011346 207308390 /nfs/dbraw/zinc/30/83/90/207308390.db2.gz FWGWIPGFWWGVHW-PMACEKPBSA-N 0 0 389.858 3.646 1 0 GHAFRN NC(=O)CCC[C@]1(Cc2ccncc2)c2ccccc2N(c2ccccc2)C1=O ZINC000026735205 207317590 /nfs/dbraw/zinc/31/75/90/207317590.db2.gz KSXDIOFAJVQZMU-DEOSSOPVSA-N 0 0 385.467 3.896 1 0 GHAFRN Cc1cc(C)[nH+]c(NCc2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)c1 ZINC000027312446 207323620 /nfs/dbraw/zinc/32/36/20/207323620.db2.gz QWNAHZLTJMIBTG-UHFFFAOYSA-N 0 0 399.397 3.937 1 0 GHAFRN COc1ccc(C(=O)c2c(C)n(C[C@@H]3COCCN3C)c3ccccc32)cc1 ZINC000026280483 207312054 /nfs/dbraw/zinc/31/20/54/207312054.db2.gz MEORVQBZSDWCMX-GOSISDBHSA-N 0 0 378.472 3.520 1 0 GHAFRN C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000026404236 207312801 /nfs/dbraw/zinc/31/28/01/207312801.db2.gz GVWYAYWIPCSTGC-NKLIMPNMSA-N 0 0 380.532 3.961 1 0 GHAFRN CCCOC(=O)n1c2cc(C(=O)N3CCOCC3)oc2c2ccc(Cl)cc21 ZINC000026376866 207312974 /nfs/dbraw/zinc/31/29/74/207312974.db2.gz VBWFFABIOFSOPK-UHFFFAOYSA-N 0 0 390.823 3.908 1 0 GHAFRN COC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000026479296 207314988 /nfs/dbraw/zinc/31/49/88/207314988.db2.gz ZYAGMZMYAUOYPA-LJQANCHMSA-N 0 0 382.416 3.605 1 0 GHAFRN COc1ccc(C2=NN(Cc3ccc(O)cc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000026566797 207315859 /nfs/dbraw/zinc/31/58/59/207315859.db2.gz XWLNXPBGFLZPDR-RTBURBONSA-N 0 0 394.471 3.962 1 0 GHAFRN COc1cccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)sc3ncnn32)c1 ZINC000027710702 207329933 /nfs/dbraw/zinc/32/99/33/207329933.db2.gz FGBHTDXMLNCJCI-UHFFFAOYSA-N 0 0 385.470 3.537 1 0 GHAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccc(Cl)cc2NC1=O)c1cccs1 ZINC000028572537 207344732 /nfs/dbraw/zinc/34/47/32/207344732.db2.gz QNBKVYXUQQBQCY-GOSISDBHSA-N 0 0 395.871 3.947 1 0 GHAFRN CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(Cl)cc1Cl ZINC000028638964 207344834 /nfs/dbraw/zinc/34/48/34/207344834.db2.gz FLSDSYNBODHRCV-CQSZACIVSA-N 0 0 378.277 3.777 1 0 GHAFRN COc1cccc(NC(=O)Nc2c3cc(OC)c(OC)cc3c(C)[nH]c2=O)c1 ZINC000028106858 207335202 /nfs/dbraw/zinc/33/52/02/207335202.db2.gz VKVNHFABWNXXEV-UHFFFAOYSA-N 0 0 383.404 3.506 1 0 GHAFRN COc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(N4CCOCC4)cc3)c1C2 ZINC000028954370 207350856 /nfs/dbraw/zinc/35/08/56/207350856.db2.gz TVULTBQPKBBZJT-UHFFFAOYSA-N 0 0 377.444 3.502 1 0 GHAFRN COc1cc2c(cc1OC)-c1cc(Nc3c(F)cccc3F)nc(=O)n1CC2 ZINC000029308370 207360491 /nfs/dbraw/zinc/36/04/91/207360491.db2.gz SDHGSIOZOAHNDO-UHFFFAOYSA-N 0 0 385.370 3.505 1 0 GHAFRN CC(=O)c1cc2c(s1)[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](O)C(C)(C)O2 ZINC000029205548 207357212 /nfs/dbraw/zinc/35/72/12/207357212.db2.gz ZJKTXSKYWNPWAL-ZBFHGGJFSA-N 0 0 379.865 3.607 1 0 GHAFRN C[C@]12CC[C@@H]3c4cc(C(F)F)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000036400888 207530065 /nfs/dbraw/zinc/53/00/65/207530065.db2.gz YAYQRYPMSZAIEL-RHQBZFHZSA-N 0 0 399.459 3.632 1 0 GHAFRN O=C(c1ccc2cnccc2n1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071318768 207937288 /nfs/dbraw/zinc/93/72/88/207937288.db2.gz RWFPAKDCXZIENT-WNOPAQSVSA-N 0 0 387.483 3.922 1 0 GHAFRN O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ncccn3)no2)CC1 ZINC000072179571 207988830 /nfs/dbraw/zinc/98/88/30/207988830.db2.gz MRVOGGKAIRJZEB-UHFFFAOYSA-N 0 0 384.827 3.592 1 0 GHAFRN Clc1cc2c(cc1CN[C@@H]1CCCc3c1cnn3-c1ccccn1)OCO2 ZINC000015064021 208037156 /nfs/dbraw/zinc/03/71/56/208037156.db2.gz CQNWTJYEOOITMW-MRXNPFEDSA-N 0 0 382.851 3.817 1 0 GHAFRN COc1cc(C(=O)N[C@H]2COc3c2cccc3Cl)ccc1-n1cnc(C)c1 ZINC000084619065 208092708 /nfs/dbraw/zinc/09/27/08/208092708.db2.gz SONUXIYFBHYTSB-INIZCTEOSA-N 0 0 383.835 3.706 1 0 GHAFRN CCC[C@H](NC(=O)OC(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095591354 208236008 /nfs/dbraw/zinc/23/60/08/208236008.db2.gz SXAQXROVJCHIII-RISCZKNCSA-N 0 0 381.473 3.916 1 0 GHAFRN COc1ccc(-c2c(CO)c(CO)c3n2Cc2c(c4ccccc4n2C)C3)cc1 ZINC000095592876 208237151 /nfs/dbraw/zinc/23/71/51/208237151.db2.gz BGXJXHUDHQWBLK-UHFFFAOYSA-N 0 0 388.467 3.593 1 0 GHAFRN CN1C(=N)N[C@]2(CC(C)(C)Sc3ccc(-c4cncc(Cl)c4)cc32)C1=O ZINC000095601809 208238125 /nfs/dbraw/zinc/23/81/25/208238125.db2.gz CAPHIWIAVKZGOU-IBGZPJMESA-N 0 0 386.908 3.658 1 0 GHAFRN CC[S@](=O)C(=O)N(CCCC[S@@](C)=O)Cc1ccc(C(C)(C)C)cc1 ZINC000096930140 208330107 /nfs/dbraw/zinc/33/01/07/208330107.db2.gz UQFQXYBCQQVZQG-LOSJGSFVSA-N 0 0 385.595 3.833 1 0 GHAFRN CO[C@]1(C)OC(=O)C(c2ccccc2Cl)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000096923085 208327349 /nfs/dbraw/zinc/32/73/49/208327349.db2.gz BLLSWSNQQQMMQC-LJQANCHMSA-N 0 0 392.860 3.574 1 0 GHAFRN COc1ccc([C@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)cc1OC ZINC000096905464 208327708 /nfs/dbraw/zinc/32/77/08/208327708.db2.gz KDZSKQVCPWZXJY-OAQYLSRUSA-N 0 0 396.468 3.632 1 0 GHAFRN Cc1cc(NC(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1Cl ZINC000098085130 208367572 /nfs/dbraw/zinc/36/75/72/208367572.db2.gz UKXNMDLQRITAQU-UHFFFAOYSA-N 0 0 386.883 3.680 1 0 GHAFRN Cc1ccnc(N(C)C(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000095567542 136182117 /nfs/dbraw/zinc/18/21/17/136182117.db2.gz YIPSQELNNPRGBS-UHFFFAOYSA-N 0 0 394.466 3.952 1 0 GHAFRN CS(=O)(=O)c1ccc(-n2cncc2-c2ccc(Br)cc2)cc1 ZINC000053298392 222009582 /nfs/dbraw/zinc/00/95/82/222009582.db2.gz XOFTVEWCXLSUBC-UHFFFAOYSA-N 0 0 377.263 3.705 1 0 GHAFRN COc1ccccc1N1CCN(C(=O)c2cn(C(C)(C)C)c3ncccc23)CC1 ZINC000072322948 537067178 /nfs/dbraw/zinc/06/71/78/537067178.db2.gz NXAJFWIQECEYSG-UHFFFAOYSA-N 0 0 392.503 3.762 2 0 GHAFRN Cc1ccc2c(c1)[C@@H]1NC(=S)N[C@](C)(O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000008682935 570517976 /nfs/dbraw/zinc/51/79/76/570517976.db2.gz SGASQZHAKQZCRU-TXPKVOOTSA-N 0 0 387.892 3.531 1 0 GHAFRN COC(=O)[C@]1(OC(C)=O)C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(O)[C@@H]1CC3 ZINC000100778832 571829286 /nfs/dbraw/zinc/82/92/86/571829286.db2.gz XLXLWRGGUYSHOH-TWRNJQHCSA-N 0 0 378.509 3.619 1 0 endogenous,in-man GHAFRN COc1cc(O)c2c(c1)OC[C@@H](c1cc3c(cc1OC)OC(C)(C)C=C3)C2=O ZINC000015203517 291132839 /nfs/dbraw/zinc/13/28/39/291132839.db2.gz QXPUHSMJCUBFPG-HNNXBMFYSA-N 0 0 382.412 3.953 1 0 biogenic,in-vitro GHAFRN COc1ccc(C)c2c1N[C@](C)([C@]1(C)Nc3c(c(C)ccc3OC)C1=O)C2=O ZINC000018101890 206262706 /nfs/dbraw/zinc/26/27/06/206262706.db2.gz VJPYNRLFQXJJDD-SZPZYZBQSA-N 0 0 380.444 3.755 1 0 GHAFRN COc1ccc(OC)c(Nc2ccc(Nc3cc(OC)ccc3OC)nn2)c1 ZINC000001439771 206381796 /nfs/dbraw/zinc/38/17/96/206381796.db2.gz FNIFMQONEBLCKJ-UHFFFAOYSA-N 0 0 382.420 3.998 3 0 GHAFRN O=C(c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)N1CCCc2ccccc21 ZINC000004659943 206537374 /nfs/dbraw/zinc/53/73/74/206537374.db2.gz YIAULQUYJCNBGY-YVCBRDFCSA-N 0 0 398.462 3.591 1 0 GHAFRN COc1ccc(-c2noc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)n2)cc1 ZINC000006834177 206684363 /nfs/dbraw/zinc/68/43/63/206684363.db2.gz VHLFDOASDKHYSW-BEFAXECRSA-N 0 0 398.507 3.657 1 0 GHAFRN COc1ccccc1CN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3C(C)(C)N2C1=O ZINC000012479823 206903001 /nfs/dbraw/zinc/90/30/01/206903001.db2.gz WHJOFSJBUCQZAT-GOSISDBHSA-N 0 0 389.455 3.801 3 0 GHAFRN COCCNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@H](c1ccccc1)C2 ZINC000013983755 207005522 /nfs/dbraw/zinc/00/55/22/207005522.db2.gz KBKZZAJJIHSSAB-GOSISDBHSA-N 0 0 377.488 3.600 1 0 GHAFRN Cc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)nc1 ZINC000014974004 207036885 /nfs/dbraw/zinc/03/68/85/207036885.db2.gz MSVKDRHEWVZYBQ-CYBMUJFWSA-N 0 0 375.270 3.553 1 0 GHAFRN CC(=O)O[C@@H]1CC[C@H]2[C@H]3[C@H](C)[C@]4(O)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000017377173 207089536 /nfs/dbraw/zinc/08/95/36/207089536.db2.gz PPWXHEFVBQBHDR-XFNIQJLISA-N 0 0 392.536 3.863 1 0 GHAFRN O=C(NCCN1Cc2ccccc2O[C@H](c2ccccc2F)C1)c1cncs1 ZINC000019795058 207162691 /nfs/dbraw/zinc/16/26/91/207162691.db2.gz UEMFTFMXFTZXPT-IBGZPJMESA-N 0 0 397.475 3.648 1 0 GHAFRN Nc1nc(N)c2c(ccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2Cl)n1 ZINC000025969814 207307631 /nfs/dbraw/zinc/30/76/31/207307631.db2.gz KHVPEHRXPMOLTO-UHFFFAOYSA-N 0 0 395.772 3.648 1 0 GHAFRN Nc1ccc(-c2cc(=O)c3c(N)c(F)c(Br)c(F)c3o2)cc1F ZINC000026180696 207310002 /nfs/dbraw/zinc/31/00/02/207310002.db2.gz DVWYDGOKTJGSPQ-UHFFFAOYSA-N 0 0 385.139 3.804 1 0 GHAFRN COC(=O)c1ccc2c(c1)nc(N1CCOCC1)nc2Nc1ccc(Cl)cc1 ZINC000026717866 207318056 /nfs/dbraw/zinc/31/80/56/207318056.db2.gz DLRPQGLEJGWWKW-UHFFFAOYSA-N 0 0 398.850 3.650 1 0 GHAFRN O=C([O-])CC[NH+]1CCC(=C2c3cccc(Cl)c3OCc3cccnc32)CC1 ZINC000027558279 207326863 /nfs/dbraw/zinc/32/68/63/207326863.db2.gz RXVZCLVYZQVSGZ-UHFFFAOYSA-N 0 0 384.863 4.000 1 0 GHAFRN C[C@@H](C[NH+]1CCC(=C2c3ccc(F)cc3OCc3cccnc32)CC1)C(=O)[O-] ZINC000027558206 207327434 /nfs/dbraw/zinc/32/74/34/207327434.db2.gz GYFNWATWLSITGL-AWEZNQCLSA-N 0 0 382.435 3.732 1 0 GHAFRN Cc1ccc(CNC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000028524759 207344197 /nfs/dbraw/zinc/34/41/97/207344197.db2.gz QNKPQRSIKNALLF-NHCUHLMSSA-N 0 0 388.467 3.689 1 0 GHAFRN CSc1nc2c(cnn2/C=C\c2ccccc2)c(N2C[C@@H](C)O[C@H](C)C2)n1 ZINC000028569866 207344695 /nfs/dbraw/zinc/34/46/95/207344695.db2.gz CMNCPSWZKQXFDZ-KMUBWGIJSA-N 0 0 381.505 3.790 1 0 GHAFRN [NH3+]Cc1cccc(-c2cc3c(cc2F)c(=O)c2c([O-])nsc2n3C2CC2)c1 ZINC000028572107 207345077 /nfs/dbraw/zinc/34/50/77/207345077.db2.gz FXVJVTDGWQCYOQ-UHFFFAOYSA-N 0 0 381.432 3.917 1 0 GHAFRN CCOC(=O)C1=CCCCC[C@@H]1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000028638017 207345699 /nfs/dbraw/zinc/34/56/99/207345699.db2.gz JCDZPRLIAKNTCX-HNNXBMFYSA-N 0 0 375.849 3.653 1 0 GHAFRN O=C(Nc1cccc(Cl)c1)C1CS(=O)(=O)c2ccc(Cl)cc2C1=O ZINC000028105962 207335427 /nfs/dbraw/zinc/33/54/27/207335427.db2.gz PGRIVXKOOBWOEB-UHFFFAOYSA-N 0 0 384.240 3.689 1 0 GHAFRN COc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(C)cc3)nn2n1 ZINC000028385097 207341106 /nfs/dbraw/zinc/34/11/06/207341106.db2.gz FWSYZIGOTKGGTI-UHFFFAOYSA-N 0 0 393.468 3.784 1 0 GHAFRN O=C1CS[C@H](c2ccc(F)c(Br)c2)N1CCc1ccccn1 ZINC000028819470 207348809 /nfs/dbraw/zinc/34/88/09/207348809.db2.gz QZJNYAQDQYKPER-MRXNPFEDSA-N 0 0 381.270 3.800 1 0 GHAFRN O=C(c1cccs1)c1cnn2c1n[n+]([O-])c1ccc(Oc3ccccc3)cc12 ZINC000029057637 207355015 /nfs/dbraw/zinc/35/50/15/207355015.db2.gz HVIPCVVPRGKMEN-UHFFFAOYSA-N 0 0 388.408 3.601 1 0 GHAFRN CCc1cccc(C)c1CNc1cc(C(=O)N(C)C)nc2c(CO)c(C)[nH]c21 ZINC000029128221 207355571 /nfs/dbraw/zinc/35/55/71/207355571.db2.gz FNEOYXHRAWIXAG-UHFFFAOYSA-N 0 0 380.492 3.548 1 0 GHAFRN COc1cccc2c1nc(C(C)=O)n2CC(=O)c1ccc(Br)cc1 ZINC000029127797 207355924 /nfs/dbraw/zinc/35/59/24/207355924.db2.gz JYDZUOLVOPCBRO-UHFFFAOYSA-N 0 0 387.233 3.893 1 0 GHAFRN CO[C@@H]1CC[C@]2(C)OC[C@H](C)[C@H]3C[C@@H](C)[C@@H](OC(C)=O)[C@H]4[C@@H](C[C@H]1C)O[C@H]2[C@H]43 ZINC000042890934 207627275 /nfs/dbraw/zinc/62/72/75/207627275.db2.gz MVCDLWCHVUYBCT-RQHYRACESA-N 0 0 394.552 3.834 1 0 GHAFRN CC(C)n1cnc2ccc3nc(C(=N)NCc4ccccc4)sc3c2c1=O ZINC000040867011 207613865 /nfs/dbraw/zinc/61/38/65/207613865.db2.gz AETSHOXDYIPJJZ-UHFFFAOYSA-N 0 0 377.473 3.702 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2csc([C@@H](O)c3cccc(Cl)c3)n2)cc1 ZINC000061903427 207791001 /nfs/dbraw/zinc/79/10/01/207791001.db2.gz AWUJRSXFXKIIFI-INIZCTEOSA-N 0 0 379.890 3.949 3 0 GHAFRN COc1ccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cc1 ZINC000084729234 208099014 /nfs/dbraw/zinc/09/90/14/208099014.db2.gz JQINQDGMMPSNCQ-UHFFFAOYSA-N 0 0 394.456 3.552 1 0 GHAFRN CCOC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc2ccccc21 ZINC000084758101 208099197 /nfs/dbraw/zinc/09/91/97/208099197.db2.gz PCRLBWQGZGUXJH-HXUWFJFHSA-N 0 0 395.480 3.519 1 0 GHAFRN Cc1ccc(S(=O)(=O)N[C@@H](/C(=C/c2ccoc2)[N+](=O)[O-])c2ccccc2)cc1 ZINC000084669541 208095738 /nfs/dbraw/zinc/09/57/38/208095738.db2.gz IRVDVCQVTAOKKI-QRRJMBGHSA-N 0 0 398.440 3.925 1 0 GHAFRN Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(c1)nnc2C(F)(F)F ZINC000084732357 208098203 /nfs/dbraw/zinc/09/82/03/208098203.db2.gz PLXNZDRHENDHTQ-UHFFFAOYSA-N 0 0 378.329 3.755 1 0 GHAFRN COc1ccc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3cccc(Cl)c3)C2)cc1 ZINC000095589273 208237646 /nfs/dbraw/zinc/23/76/46/208237646.db2.gz QTIGEWLADLHQGT-ROUUACIJSA-N 0 0 386.879 3.820 1 0 GHAFRN CC[C@H](C)NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000096927468 208329046 /nfs/dbraw/zinc/32/90/46/208329046.db2.gz DWQMKGWYYGXMGT-BTYIYWSLSA-N 0 0 393.487 3.808 1 0 GHAFRN CCCCCn1c2ccccc2c2cc(C(=O)N3CCS(=O)(=O)CC3)ccc21 ZINC000096938010 208331398 /nfs/dbraw/zinc/33/13/98/208331398.db2.gz YJYJBZMXVMFDSU-UHFFFAOYSA-N 0 0 398.528 3.855 1 0 GHAFRN COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-n2nccn2)c1 ZINC000098176745 208369298 /nfs/dbraw/zinc/36/92/98/208369298.db2.gz NLNMJGXUXPLIBU-GOSISDBHSA-N 0 0 392.459 3.538 1 0 GHAFRN Cc1c(CCCC[C@H]2CO[C@@](C)(C(=O)[O-])OC2)nc(-c2ccc(C)cc2)n1C ZINC000101464406 208393625 /nfs/dbraw/zinc/39/36/25/208393625.db2.gz JBUVQRLBZWBSOP-VVOJOOEHSA-N 0 0 386.492 3.881 1 0 GHAFRN COc1cccc(C(=O)c2oc3ccc4c(c3c2CCNC(C)=O)CCCO4)c1 ZINC000103233484 208418493 /nfs/dbraw/zinc/41/84/93/208418493.db2.gz AYLUZIQJLRUEKB-UHFFFAOYSA-N 0 0 393.439 3.676 1 0 GHAFRN COc1cc(/C=C2\CCC[C@@H]3C2=NN[C@@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000103213908 208418524 /nfs/dbraw/zinc/41/85/24/208418524.db2.gz MGMNMWPHWGHECI-ZHPILYRPSA-N 0 0 380.444 3.999 1 0 GHAFRN O=C(Cc1ccccc1)N1C(=O)C[C@@H](C2c3ccccc3-c3ccccc32)C1=O ZINC000103278045 208423855 /nfs/dbraw/zinc/42/38/55/208423855.db2.gz PQSQZZGXZJLNCQ-NRFANRHFSA-N 0 0 381.431 3.943 1 0 GHAFRN CC(=O)N1CC=C[C@]1(CC(C)C)C(=O)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000007992704 221022864 /nfs/dbraw/zinc/02/28/64/221022864.db2.gz OPVZRYGQJDKANF-SFHVURJKSA-N 0 0 386.389 3.664 3 0 GHAFRN O=C(c1cccc(Cl)c1F)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 ZINC000059286414 136155696 /nfs/dbraw/zinc/15/56/96/136155696.db2.gz VCJKZVORHZXBEN-UHFFFAOYSA-N 0 0 385.197 3.761 1 0 GHAFRN COc1cccc(NC(=S)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000095568414 136182070 /nfs/dbraw/zinc/18/20/70/136182070.db2.gz WBTRFHWUICIEFK-UHFFFAOYSA-N 0 0 397.331 3.916 1 0 GHAFRN CNC(=O)c1cc(Br)cc(N2CCCc3cc(OC)ccc32)c1 ZINC000096910967 136187742 /nfs/dbraw/zinc/18/77/42/136187742.db2.gz FDYCTHWQCNDDJL-UHFFFAOYSA-N 0 0 375.266 3.902 1 0 GHAFRN O=C(c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)N1CCCc2ccccc21 ZINC000003014843 136193577 /nfs/dbraw/zinc/19/35/77/136193577.db2.gz YIAULQUYJCNBGY-UWSKWSKGSA-N 0 0 398.462 3.591 1 0 GHAFRN CN1C(=N)N[C@@]2(CC(C)(C)Oc3ccc(-c4cc(F)cc(Cl)c4)cc32)C1=O ZINC000095603279 222359119 /nfs/dbraw/zinc/35/91/19/222359119.db2.gz YBGCQCRROHLRHP-HXUWFJFHSA-N 0 0 387.842 3.689 1 0 GHAFRN CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCc1c[nH]c2ccccc12 ZINC000095604892 222359751 /nfs/dbraw/zinc/35/97/51/222359751.db2.gz ZOCGRQBAGIVUDE-FQEVSTJZSA-N 0 0 386.459 3.523 3 0 GHAFRN CCCCOC(C)(C)[C@H](O)COc1c2occc2c(OC)c2ccc(=O)oc21 ZINC000059586892 291131613 /nfs/dbraw/zinc/13/16/13/291131613.db2.gz HYFWQORTIZQRLZ-OAHLLOKOSA-N 0 0 390.432 3.883 1 0 biogenic,in-vitro GHAFRN CCOc1cc(Cc2cnc(N)nc2N)ccc1OCCCc1ccccc1 ZINC000013532888 206295382 /nfs/dbraw/zinc/29/53/82/206295382.db2.gz OHQPQKOHTUXQLT-UHFFFAOYSA-N 0 0 378.476 3.642 1 0 GHAFRN COc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@](=O)C2 ZINC000002724998 206431253 /nfs/dbraw/zinc/43/12/53/206431253.db2.gz NSQLMLMQTOOYQC-NDEPHWFRSA-N 0 0 395.484 3.512 3 0 GHAFRN COc1ccc(Oc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)cc1 ZINC000004238365 206509410 /nfs/dbraw/zinc/50/94/10/206509410.db2.gz UXHNMKSFRPUHTJ-UHFFFAOYSA-N 0 0 394.818 3.845 1 0 GHAFRN CN1C2=C(C(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@H](c2ccccc2)NC1=O ZINC000004337498 206516246 /nfs/dbraw/zinc/51/62/46/206516246.db2.gz BYLQCONKPQTAJL-KRWDZBQOSA-N 0 0 387.361 3.702 3 0 GHAFRN Cc1ccn(CCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)n1 ZINC000012707606 206926225 /nfs/dbraw/zinc/92/62/25/206926225.db2.gz ODJGNPAVGZEHHZ-IBGZPJMESA-N 0 0 391.519 3.906 3 0 GHAFRN CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cccc(-n2ccnc2)c1 ZINC000013833147 207001988 /nfs/dbraw/zinc/00/19/88/207001988.db2.gz YUJMKVAXAQYVMU-UHFFFAOYSA-N 0 0 393.443 3.905 1 0 GHAFRN COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2ccnc21 ZINC000013860480 207002437 /nfs/dbraw/zinc/00/24/37/207002437.db2.gz ZJGOOUMHKXGWSN-INIZCTEOSA-N 0 0 380.835 3.766 1 0 GHAFRN CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccccc1OC)CCCC3 ZINC000013837595 207002740 /nfs/dbraw/zinc/00/27/40/207002740.db2.gz IJVLAVGYKXWNCB-LJQANCHMSA-N 0 0 394.471 3.913 1 0 GHAFRN Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5c(cc4Cl)OCO5)CC3)c2c1 ZINC000013864302 207003043 /nfs/dbraw/zinc/00/30/43/207003043.db2.gz PAJSQNJPMJTKTN-UHFFFAOYSA-N 0 0 399.878 3.857 1 0 GHAFRN COCCNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@H](c1ccccc1)C2 ZINC000013999289 207008416 /nfs/dbraw/zinc/00/84/16/207008416.db2.gz KBKZZAJJIHSSAB-SFHVURJKSA-N 0 0 377.488 3.600 1 0 GHAFRN CCOC(=O)C[C@H](NC(=O)Nc1ncc(-c2ccccc2)n1C)c1ccccc1 ZINC000015786039 207062173 /nfs/dbraw/zinc/06/21/73/207062173.db2.gz JYWZWFRXOWHWHE-SFHVURJKSA-N 0 0 392.459 3.903 1 0 GHAFRN CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000020108166 207177101 /nfs/dbraw/zinc/17/71/01/207177101.db2.gz GOSMRADXJZODCA-NRFANRHFSA-N 0 0 382.460 3.551 1 0 GHAFRN C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)c1ccccc1)OCO3 ZINC000025987447 207308180 /nfs/dbraw/zinc/30/81/80/207308180.db2.gz CHGQLDLXJZWMMG-OAHLLOKOSA-N 0 0 399.450 3.837 1 0 GHAFRN COC(=O)c1c(C)[nH]c2ccc3c(c21)CN1CCc2cc(OC)ccc2[C@H]1O3 ZINC000026154585 207310321 /nfs/dbraw/zinc/31/03/21/207310321.db2.gz CFROMQQFSYBIHZ-OAQYLSRUSA-N 0 0 378.428 3.721 1 0 GHAFRN CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](Cc3ccccc3)CN21 ZINC000026972070 207321508 /nfs/dbraw/zinc/32/15/08/207321508.db2.gz IVSSCLNOPSKRLX-SFHVURJKSA-N 0 0 385.471 3.974 1 0 GHAFRN C=C/C(C)=C/[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C\CCC(=O)OC ZINC000027760538 207330309 /nfs/dbraw/zinc/33/03/09/207330309.db2.gz VCJHWEJEQISYEO-QIAAARPWSA-N 0 0 390.520 3.672 1 0 GHAFRN CC(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 ZINC000027981099 207332946 /nfs/dbraw/zinc/33/29/46/207332946.db2.gz KJXWSYMXRPCCCZ-AQRMQOPESA-N 0 0 390.520 3.805 1 0 GHAFRN COc1ccc2c(c1)Cc1c-2nc2cc(OC)c(OC)c3c2c1CCN3C(C)=O ZINC000027191865 207324832 /nfs/dbraw/zinc/32/48/32/207324832.db2.gz ZWSDXELPIWEBNS-UHFFFAOYSA-N 0 0 390.439 3.741 1 0 GHAFRN CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(NC(=O)Nc3cccc(C(=O)[O-])c3)CC1)=CC2 ZINC000028708719 207346354 /nfs/dbraw/zinc/34/63/54/207346354.db2.gz AIDODRGOQLQBHG-PXNSSMCTSA-N 0 0 397.519 3.963 1 0 GHAFRN Cc1cc(N2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nnc1Cl ZINC000028394313 207340624 /nfs/dbraw/zinc/34/06/24/207340624.db2.gz BBJHVYMBKDKZOZ-UHFFFAOYSA-N 0 0 399.804 3.811 1 0 GHAFRN COc1ccc(Cn2c(Br)nc3c2ncnc3-c2ccco2)cc1 ZINC000028877895 207349870 /nfs/dbraw/zinc/34/98/70/207349870.db2.gz FXLAXZVLFFEERZ-UHFFFAOYSA-N 0 0 385.221 3.906 1 0 GHAFRN CC(C)(C)c1nc2cc(S(=O)(=O)CC3CC3)ccc2n1CC1CCOCC1 ZINC000029046558 207354326 /nfs/dbraw/zinc/35/43/26/207354326.db2.gz XAONYZYMOCXNNS-UHFFFAOYSA-N 0 0 390.549 3.944 1 0 GHAFRN O=S(=O)(N[C@@H]1[C@H]2CC[C@]1(c1ncc[nH]1)CCCC2)c1ccc(Cl)s1 ZINC000029129067 207355798 /nfs/dbraw/zinc/35/57/98/207355798.db2.gz RTNOGOZMJZKLLB-DJSGYFEHSA-N 0 0 385.942 3.694 1 0 GHAFRN CCn1c(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)c2cccc(OC)c21 ZINC000029136127 207357628 /nfs/dbraw/zinc/35/76/28/207357628.db2.gz MCPPMVYCNIJPMR-UHFFFAOYSA-N 0 0 384.432 3.509 1 0 GHAFRN CC(=O)c1cc2c(s1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C(C)(C)O2 ZINC000028770546 207347933 /nfs/dbraw/zinc/34/79/33/207347933.db2.gz KBNVDFMTADNYAA-ZBFHGGJFSA-N 0 0 379.865 3.607 1 0 GHAFRN COc1ccc2[nH]c([S@](=O)Cc3nccc(N4CCCC4)c3Cl)nc2c1 ZINC000029570819 207364580 /nfs/dbraw/zinc/36/45/80/207364580.db2.gz GWQDLMGMPJXKKN-SANMLTNESA-N 0 0 390.896 3.528 1 0 GHAFRN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC)C(=O)N32)cc1 ZINC000040848922 207611713 /nfs/dbraw/zinc/61/17/13/207611713.db2.gz OCJJEAAQPFYCNP-CTNGQTDRSA-N 0 0 389.455 3.865 1 0 GHAFRN CS(=O)(=O)c1ccc(/C(=C/C2CCCC2)C(=O)Nc2nccs2)cc1 ZINC000064540189 207802139 /nfs/dbraw/zinc/80/21/39/207802139.db2.gz BCHXPOUTSCJBCH-VBKFSLOCSA-N 0 0 376.503 3.759 1 0 GHAFRN O=C(c1ccc(NC2CCCCCC2)nc1)N1CCC(CN2CCCC2=O)CC1 ZINC000014956603 207784186 /nfs/dbraw/zinc/78/41/86/207784186.db2.gz NXVJCSOBABJPEF-UHFFFAOYSA-N 0 0 398.551 3.691 1 0 GHAFRN O=C([O-])C1(O)CC[NH+]([C@@H]2CC[C@]3(C2)Cc2ccccc2Cc2ccccc23)CC1 ZINC000064448142 207799860 /nfs/dbraw/zinc/79/98/60/207799860.db2.gz IYAJUPFWKMPDJJ-ZJSXRUAMSA-N 0 0 391.511 3.535 1 0 GHAFRN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)c1ccc2c(c1)OCO2 ZINC000071331879 207938756 /nfs/dbraw/zinc/93/87/56/207938756.db2.gz BQFVNXGEGRVFFN-JOCHJYFZSA-N 0 0 393.826 3.851 1 0 GHAFRN CCOC(=O)c1cnn2c1N(C(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1)C2 ZINC000073198830 208034725 /nfs/dbraw/zinc/03/47/25/208034725.db2.gz WKDKOZDBFAZVBO-GOSISDBHSA-N 0 0 394.406 3.992 1 0 GHAFRN CCOC(=O)C[C@@H]1c2cc(-c3ccccc3F)ccc2OC(N)=C1C(=O)OCC ZINC000095562795 208232659 /nfs/dbraw/zinc/23/26/59/208232659.db2.gz QBZMWMOOEOIIHA-MRXNPFEDSA-N 0 0 399.418 3.655 1 0 GHAFRN Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)c3ccccc3)cc2)cn1 ZINC000096271704 208300705 /nfs/dbraw/zinc/30/07/05/208300705.db2.gz WMNWQJIBURLDPU-UHFFFAOYSA-N 0 0 381.457 3.545 1 0 GHAFRN O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ccncc2o1 ZINC000096282798 208301899 /nfs/dbraw/zinc/30/18/99/208301899.db2.gz IPFCGFBLRONVPM-UHFFFAOYSA-N 0 0 392.436 3.591 1 0 GHAFRN COc1ccc(-n2c(=O)cccc2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000096929950 208329076 /nfs/dbraw/zinc/32/90/76/208329076.db2.gz FDHRIRFGZFSQGT-UHFFFAOYSA-N 0 0 397.427 3.548 1 0 GHAFRN COc1cc(OC)c(-c2oc3ccccc3c(=O)c2O)cc1Br ZINC000096923914 208330046 /nfs/dbraw/zinc/33/00/46/208330046.db2.gz YGRKLDGDXPUJGR-UHFFFAOYSA-N 0 0 377.190 3.945 1 0 GHAFRN O=c1[nH]nc2n1-c1ccc(OCc3cccc(C(F)(F)F)c3)cc1SC2 ZINC000096933887 208330301 /nfs/dbraw/zinc/33/03/01/208330301.db2.gz CWGOBMHLSNDSSS-UHFFFAOYSA-N 0 0 379.363 3.764 1 0 GHAFRN CC(C)NC(=O)N1CCc2c(c(-c3ccccc3)nn2C(=O)c2ccccc2)C1 ZINC000096932272 208330423 /nfs/dbraw/zinc/33/04/23/208330423.db2.gz UKVNVCSQHJUFAP-UHFFFAOYSA-N 0 0 388.471 3.715 1 0 GHAFRN CC(=O)N1N=C(c2ccccc2Br)C[C@@H]1c1ccc2oc(N)nc2c1 ZINC000096934816 208331792 /nfs/dbraw/zinc/33/17/92/208331792.db2.gz DKYFGQRGFNJARU-MRXNPFEDSA-N 0 0 399.248 3.870 1 0 GHAFRN CC(C)CNC(=O)[C@@H](c1ccc(Cl)cc1)n1c(=O)[nH]c2cc(Cl)ccc21 ZINC000096905531 208327112 /nfs/dbraw/zinc/32/71/12/208327112.db2.gz YOBFCCFXVSZDHJ-QGZVFWFLSA-N 0 0 392.286 3.998 1 0 GHAFRN COc1cc(/C=C2\CCC[C@@H]3C2=NN[C@H]3c2ccc(O)c(OC)c2)ccc1O ZINC000103213914 208419723 /nfs/dbraw/zinc/41/97/23/208419723.db2.gz MGMNMWPHWGHECI-PKMZQKKTSA-N 0 0 380.444 3.999 1 0 GHAFRN COC(=O)[C@]1(c2ccccc2)C(C)=CN(C(C)(C)c2cccc(Cl)n2)C1=O ZINC000103277998 208424428 /nfs/dbraw/zinc/42/44/28/208424428.db2.gz XZZPKJUCYYGHAG-NRFANRHFSA-N 0 0 384.863 3.827 1 0 GHAFRN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(F)cc2F)C(=O)C1 ZINC000059281763 136155729 /nfs/dbraw/zinc/15/57/29/136155729.db2.gz NACRESAFFSQIIU-UHFFFAOYSA-N 0 0 385.197 3.761 1 0 GHAFRN CC(=O)c1cc2cc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cnc2[nH]1 ZINC000072323913 136168243 /nfs/dbraw/zinc/16/82/43/136168243.db2.gz QCZFKGISQGNUOW-UHFFFAOYSA-N 0 0 396.878 3.690 2 0 GHAFRN O=C(NCc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)c2ncccc12 ZINC000072323274 222226579 /nfs/dbraw/zinc/22/65/79/222226579.db2.gz OJPKYRMBMZADBK-UHFFFAOYSA-N 0 0 385.423 3.743 2 0 GHAFRN COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@H]1c1cccc(F)c1 ZINC000095604616 222359199 /nfs/dbraw/zinc/35/91/99/222359199.db2.gz XYVDPOTVZBXZIT-SFHVURJKSA-N 0 0 388.439 3.843 3 0 GHAFRN CC(C)(C)n1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2cccnc21 ZINC000072323112 534945011 /nfs/dbraw/zinc/94/50/11/534945011.db2.gz PGCJYAANZSYQQA-UHFFFAOYSA-N 0 0 380.467 3.893 2 0 GHAFRN CCCn1c(-c2cn(C)c3ccccc23)nc2ccc(N3CCOCC3)nc21 ZINC000095582933 535577115 /nfs/dbraw/zinc/57/71/15/535577115.db2.gz UUQHCWTYBKKMED-UHFFFAOYSA-N 0 0 375.476 3.837 1 0 GHAFRN CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 ZINC000014586047 571712971 /nfs/dbraw/zinc/71/29/71/571712971.db2.gz TVYLJAPSHFFCMT-OAHLLOKOSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN CCCc1cc(=O)oc2c3c(c(C(=O)[C@H](C)CC)c(O)c12)O[C@@H](C(C)(C)O)C3 ZINC000014584376 574413478 /nfs/dbraw/zinc/41/34/78/574413478.db2.gz KTJYLXIAFCVVBF-BXUZGUMPSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN COc1ccc(C(=O)Nc2c(C)c[n+]([O-])cc2C)c2ccc(C(F)(F)F)nc12 ZINC000000588632 206308022 /nfs/dbraw/zinc/30/80/22/206308022.db2.gz OOBLUJRKRDCDBQ-UHFFFAOYSA-N 0 0 391.349 3.765 1 0 GHAFRN COc1ccc(-c2cc(-c3nc(C)cs3)c(=O)n(C)c2-c2ccnnc2)cc1 ZINC000000582742 206308029 /nfs/dbraw/zinc/30/80/29/206308029.db2.gz YJQPSUGEFJEJIN-UHFFFAOYSA-N 0 0 390.468 3.950 1 0 GHAFRN CCOC(=O)Cc1ccc(Nc2nc3ccccc3nc2C(=O)OCC)cc1 ZINC000001860295 206392957 /nfs/dbraw/zinc/39/29/57/206392957.db2.gz OKUQMDYDXQWSQY-UHFFFAOYSA-N 0 0 379.416 3.656 1 0 GHAFRN CC[C@@H](C)n1c(SCC(=O)Nc2nccs2)nc2ccsc2c1=O ZINC000002925107 206445992 /nfs/dbraw/zinc/44/59/92/206445992.db2.gz PTZATECGUWHBMP-SECBINFHSA-N 0 0 380.520 3.616 1 0 GHAFRN Cc1nc2cc(C(=O)NCc3cccnc3)ccc2n1-c1ccc(F)cc1F ZINC000002926415 206446540 /nfs/dbraw/zinc/44/65/40/206446540.db2.gz KSDLCSBEJSDJIJ-UHFFFAOYSA-N 0 0 378.382 3.937 3 0 GHAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](C(=O)NCc1ccco1)[C@@H]2O ZINC000013681765 206989595 /nfs/dbraw/zinc/98/95/95/206989595.db2.gz JKEJHEHCKBFOBU-JGWPIBQHSA-N 0 0 395.499 3.745 1 0 GHAFRN CCOC(=O)OC[C@H]1O[C@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1OC(=O)OCC ZINC000013783034 207000077 /nfs/dbraw/zinc/00/00/77/207000077.db2.gz UBMADRXNHGCFFZ-OKZBNKHCSA-N 0 0 392.404 3.600 1 0 GHAFRN CCOC(=O)c1ncn2c1CN(Cc1ccccc1)C(=O)c1c(Cl)cccc1-2 ZINC000013828198 207000419 /nfs/dbraw/zinc/00/04/19/207000419.db2.gz SPCZCBQTDKCHHO-UHFFFAOYSA-N 0 0 395.846 3.858 1 0 GHAFRN CC(C)n1cnc2c1nc(I)nc2NCc1ccccc1 ZINC000013834614 207002123 /nfs/dbraw/zinc/00/21/23/207002123.db2.gz MKMXWDSWLHBSGA-UHFFFAOYSA-N 0 0 393.232 3.624 1 0 GHAFRN C[C@H](c1ccccc1)n1c2c(c3c1nc(-c1cc[n+]([O-])cc1)nc3N)CCCC2 ZINC000013835484 207002756 /nfs/dbraw/zinc/00/27/56/207002756.db2.gz QVWODUOAZDZPOB-OAHLLOKOSA-N 0 0 385.471 3.802 1 0 GHAFRN Cc1nc2c3c(c(C(=O)N4CCOCC4)cn2c1C)CC[C@H](c1ccccc1)C3 ZINC000013983758 207006984 /nfs/dbraw/zinc/00/69/84/207006984.db2.gz XDTJZTXSODFRQV-IBGZPJMESA-N 0 0 389.499 3.696 1 0 GHAFRN CC(=O)c1ccc(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)s1 ZINC000015075829 207045912 /nfs/dbraw/zinc/04/59/12/207045912.db2.gz SWENERJSEKPHBF-INIZCTEOSA-N 0 0 376.909 3.999 3 0 GHAFRN Cc1nnc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc32)s1 ZINC000017144258 207087139 /nfs/dbraw/zinc/08/71/39/207087139.db2.gz QRKLLEJWPFLBBF-ZDUSSCGKSA-N 0 0 397.504 3.649 1 0 GHAFRN COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCCCCC2)cc1 ZINC000020098579 207176932 /nfs/dbraw/zinc/17/69/32/207176932.db2.gz NTMIHKNOSOBCRF-LJQANCHMSA-N 0 0 383.521 3.757 3 0 GHAFRN COC(=O)c1c(C)[nH]c2ccc3c(c21)CN1CCc2cc(OC)ccc2[C@@H]1O3 ZINC000026154578 207309840 /nfs/dbraw/zinc/30/98/40/207309840.db2.gz CFROMQQFSYBIHZ-NRFANRHFSA-N 0 0 378.428 3.721 1 0 GHAFRN Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)CN(C)C)nc2n1 ZINC000027332018 207323563 /nfs/dbraw/zinc/32/35/63/207323563.db2.gz CITAIZSAQSFIRW-UHFFFAOYSA-N 0 0 390.274 3.807 1 0 GHAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)C2CCCCC2)C1=O ZINC000026379806 207312699 /nfs/dbraw/zinc/31/26/99/207312699.db2.gz RWXQGNXIQRNZDC-OAQYLSRUSA-N 0 0 375.472 3.523 1 0 GHAFRN CC(C)n1cnc2c1nc(N1CCCC[C@@H]1CCO)nc2NCc1ccccc1 ZINC000026394739 207313594 /nfs/dbraw/zinc/31/35/94/207313594.db2.gz IEUVSECKUQECNQ-GOSISDBHSA-N 0 0 394.523 3.761 1 0 GHAFRN CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000027871487 207332169 /nfs/dbraw/zinc/33/21/69/207332169.db2.gz HOJJZXINRFKRGT-JVRRZQLISA-N 0 0 394.552 3.976 1 0 GHAFRN COCn1ccc2cc(C3=NC[C@H](c4cc(OC)c(OC)c(OC)c4)O3)ccc21 ZINC000027524660 207325778 /nfs/dbraw/zinc/32/57/78/207325778.db2.gz ZVPHRSATBPHORC-HXUWFJFHSA-N 0 0 396.443 3.789 1 0 GHAFRN CCN(C)C(=O)c1n[nH]c2c1C[C@@H]1[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C ZINC000028525641 207344302 /nfs/dbraw/zinc/34/43/02/207344302.db2.gz KZDDZXKHYOOBGG-QQSSDERHSA-N 0 0 379.504 3.777 1 0 GHAFRN O=S(=O)(N[C@@H]1[C@@H]2CC[C@H]1Cc1cc(O)ccc1C2)c1ccc(Cl)s1 ZINC000028358993 207340289 /nfs/dbraw/zinc/34/02/89/207340289.db2.gz KYRRKJFDQDGKJW-BWACUDIHSA-N 0 0 383.922 3.579 1 0 GHAFRN CO[C@@]1(c2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccccc3)n2)CCCO1 ZINC000028457451 207341697 /nfs/dbraw/zinc/34/16/97/207341697.db2.gz QDMFOZHJPFKASC-NRFANRHFSA-N 0 0 398.484 3.552 1 0 GHAFRN CC(C)N1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O ZINC000028478091 207342769 /nfs/dbraw/zinc/34/27/69/207342769.db2.gz MTYOPXUDZJLFMU-LJQANCHMSA-N 0 0 399.498 3.652 1 0 GHAFRN CCN1CC[C@@H](n2cc(S(=O)(=O)c3cccc(Cl)c3)c3cccnc32)C1 ZINC000028862254 207349604 /nfs/dbraw/zinc/34/96/04/207349604.db2.gz FHAUPUNSUCKXJY-OAHLLOKOSA-N 0 0 389.908 3.789 1 0 GHAFRN O=C1NC(=S)SC1=Cc1ccc2c(c1)N(CCc1ccccc1)C(=O)CO2 ZINC000028883312 207350543 /nfs/dbraw/zinc/35/05/43/207350543.db2.gz UEJKWDBDXKUUFQ-BOPFTXTBSA-N 0 0 396.493 3.984 1 0 GHAFRN CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1cccn1C(C)=O)CCCC3 ZINC000028968910 207353114 /nfs/dbraw/zinc/35/31/14/207353114.db2.gz GKXFMJDYZXSUDP-UHFFFAOYSA-N 0 0 392.459 3.705 1 0 GHAFRN COCc1nc2c(cccc2C(F)(F)F)c(O)c1C(=O)Nc1nccs1 ZINC000029228214 207357753 /nfs/dbraw/zinc/35/77/53/207357753.db2.gz FPHMQDJDWHBGQZ-UHFFFAOYSA-N 0 0 383.351 3.814 1 0 GHAFRN COc1ccc(C(=O)c2cc(OC)c(OC)cc2Br)cc1OC ZINC000084635811 207658802 /nfs/dbraw/zinc/65/88/02/207658802.db2.gz XPQFRGRLSWCSIT-UHFFFAOYSA-N 0 0 381.222 3.715 1 0 GHAFRN CC(=O)N(C)C[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000049046880 207704801 /nfs/dbraw/zinc/70/48/01/207704801.db2.gz YQBHAOBHMAGPDP-INIZCTEOSA-N 0 0 375.465 3.557 1 0 GHAFRN COc1ccc([C@]2(c3cccc(-c4ccccc4)c3)NC(=N)N(C)C2=O)cc1C ZINC000064513069 207801651 /nfs/dbraw/zinc/80/16/51/207801651.db2.gz YFXNOSKYOWSDIE-DEOSSOPVSA-N 0 0 385.467 3.911 1 0 GHAFRN CC[C@H]1[C@H](/C=C/c2ccc(N3CCCC3)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(O)C[C@@H]1C ZINC000084597160 208094512 /nfs/dbraw/zinc/09/45/12/208094512.db2.gz IAEXHPPGWDBMEX-YSDUGKDJSA-N 0 0 384.520 3.670 1 0 GHAFRN COc1cc2c(cc1O)[C@H]1CCc3cc(OC)c(OC)c(OC)c3[C@@H](C2)N1C ZINC000084652962 208096297 /nfs/dbraw/zinc/09/62/97/208096297.db2.gz YSWCCSPBYPSJOV-HZPDHXFCSA-N 0 0 385.460 3.643 1 0 GHAFRN CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)sc(Cl)c21 ZINC000084689721 208096873 /nfs/dbraw/zinc/09/68/73/208096873.db2.gz APNJJVAHECMJQJ-UHFFFAOYSA-N 0 0 384.244 3.513 1 0 GHAFRN CNC(=O)c1ncn2c1CN=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1-2 ZINC000095552716 208232354 /nfs/dbraw/zinc/23/23/54/208232354.db2.gz LHYSVNTZQXACDD-UHFFFAOYSA-N 0 0 385.254 3.890 1 0 GHAFRN C[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O ZINC000095560597 208233018 /nfs/dbraw/zinc/23/30/18/208233018.db2.gz ZPCRJPDDEZIKRU-NSHDSACASA-N 0 0 387.288 3.787 1 0 GHAFRN CC(C)(C)c1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2 ZINC000095565200 208233462 /nfs/dbraw/zinc/23/34/62/208233462.db2.gz YXAJZGGSXUZXGE-UHFFFAOYSA-N 0 0 386.805 3.904 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000095567032 208234487 /nfs/dbraw/zinc/23/44/87/208234487.db2.gz JRXBFELAQZGIEQ-UHFFFAOYSA-N 0 0 383.546 3.827 1 0 GHAFRN O=C(NC1CCCCC1)[C@H]1c2ccccc2OCC(=O)N1CCc1ccccc1 ZINC000095567566 208234769 /nfs/dbraw/zinc/23/47/69/208234769.db2.gz MTBZEUGWAYVYPK-HSZRJFAPSA-N 0 0 392.499 3.640 3 0 GHAFRN Cc1ccc(OCCn2c3ccccc3c(=O)n(Cc3ccccc3)c2=O)cc1 ZINC000095590379 208236797 /nfs/dbraw/zinc/23/67/97/208236797.db2.gz MANHDYQMBSKQIW-UHFFFAOYSA-N 0 0 386.451 3.599 1 0 GHAFRN COc1cccc(NC(=O)Nc2ccc(Nc3ncnc4n[nH]cc43)cc2)c1 ZINC000095588164 208237042 /nfs/dbraw/zinc/23/70/42/208237042.db2.gz SSOPBCAOUYATLR-UHFFFAOYSA-N 0 0 375.392 3.749 1 0 GHAFRN CC(C)Oc1cccc(-c2ccc3c(c2)[C@@]2(CC(C)(C)O3)NC(=N)N(C)C2=O)c1 ZINC000095601058 208238074 /nfs/dbraw/zinc/23/80/74/208238074.db2.gz GCAUJEMXKJNLPV-HSZRJFAPSA-N 0 0 393.487 3.684 1 0 GHAFRN O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)[C@H]1C[C@@H]1c1cccnc1 ZINC000095920882 208239224 /nfs/dbraw/zinc/23/92/24/208239224.db2.gz YERMBKYNILMCNC-UXHICEINSA-N 0 0 378.453 3.657 1 0 in-vitro GHAFRN CC(=O)Nc1nc(C)c(-c2nn(CNc3ccc(C)cc3)c(=S)o2)s1 ZINC000096914075 208328419 /nfs/dbraw/zinc/32/84/19/208328419.db2.gz SVIBXDGPFQXDGK-UHFFFAOYSA-N 0 0 375.479 3.974 1 0 GHAFRN COc1ccc([C@@H]2SCC(=O)N2c2ccc3c(C)cc(=O)[nH]c3c2)cc1OC ZINC000096905463 208327213 /nfs/dbraw/zinc/32/72/13/208327213.db2.gz KDZSKQVCPWZXJY-NRFANRHFSA-N 0 0 396.468 3.632 1 0 GHAFRN CC(C)(C)n1nnnc1[C@@H](Nc1ccccc1)c1coc2ccccc2c1=O ZINC000103269308 208424845 /nfs/dbraw/zinc/42/48/45/208424845.db2.gz DPBFYNLASCKHRO-SFHVURJKSA-N 0 0 375.432 3.736 1 0 GHAFRN CS(=O)(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000095557784 136181804 /nfs/dbraw/zinc/18/18/04/136181804.db2.gz BDAZOZSTYHYPBO-HXUWFJFHSA-N 0 0 378.453 3.861 1 0 GHAFRN CCN1C(=N)N[C@]2(CC(C)(C)Oc3ccc(-c4cccc(Cl)c4)cc32)C1=O ZINC000095605793 222359023 /nfs/dbraw/zinc/35/90/23/222359023.db2.gz LVSDEOGFBMASFA-NRFANRHFSA-N 0 0 383.879 3.940 1 0 GHAFRN CC(C)(C)C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1 ZINC000095605506 222359410 /nfs/dbraw/zinc/35/94/10/222359410.db2.gz HFOZYIQEJJDNPG-UHFFFAOYSA-N 0 0 393.447 3.855 1 0 GHAFRN Cc1ccoc1C(=O)Nc1cccc([C@]2(C3CCCCC3)NC(=N)N(C)C2=O)c1 ZINC000034949859 581091418 /nfs/dbraw/zinc/09/14/18/581091418.db2.gz CZSNUKITORTJBZ-QFIPXVFZSA-N 0 0 394.475 3.612 1 0 GHAFRN COc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)c(F)c1 ZINC000013525197 581099365 /nfs/dbraw/zinc/09/93/65/581099365.db2.gz RVZYHWUQJFPPLC-UHFFFAOYSA-N 0 0 380.828 3.744 1 0 GHAFRN O=C(CC(=O)N1N=C(N2CCCCC2)C[C@H]1c1ccccc1)Nc1ccccc1 ZINC000001647550 206387912 /nfs/dbraw/zinc/38/79/12/206387912.db2.gz RQYCPDRSXZCLTC-FQEVSTJZSA-N 0 0 390.487 3.788 1 0 GHAFRN Cc1ccccc1O[C@H](C)C(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000001863322 206392756 /nfs/dbraw/zinc/39/27/56/206392756.db2.gz HGPVDLJIOFSPSP-BFUOFWGJSA-N 0 0 390.892 3.721 1 0 GHAFRN CO[C@H](O)C(=O)c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCC5)C3)CCC2 ZINC000001855692 206392932 /nfs/dbraw/zinc/39/29/32/206392932.db2.gz AMXULNXMTQRAEW-VWLOTQADSA-N 0 0 388.507 3.695 1 0 GHAFRN Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(OCc3ccccc3)nc21 ZINC000004239126 206508703 /nfs/dbraw/zinc/50/87/03/206508703.db2.gz MMZNBZBLLZOHQC-UHFFFAOYSA-N 0 0 378.819 3.623 1 0 GHAFRN O=C1c2ccccc2N(CCc2ccccc2)S(=O)(=O)N1Cc1ccccc1 ZINC000006579463 206655033 /nfs/dbraw/zinc/65/50/33/206655033.db2.gz QYVHSWGIIUZZPR-UHFFFAOYSA-N 0 0 392.480 3.637 1 0 GHAFRN COc1ccc(OC)c([C@H]2CC(=O)[C@@H](C)[C@@H](c3cc(OC)ccc3OC)N2)c1 ZINC000013154610 206970815 /nfs/dbraw/zinc/97/08/15/206970815.db2.gz CAALLLAIWXMQTP-XJDIIYGHSA-N 0 0 385.460 3.702 1 0 GHAFRN CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2ccccc2C)C1 ZINC000013442759 206975872 /nfs/dbraw/zinc/97/58/72/206975872.db2.gz UVRNPTACJJWPFZ-UHFFFAOYSA-N 0 0 382.485 3.541 1 0 GHAFRN CC1=CS[C@](OC(C)C)(c2ccc(Br)cc2)c2noc(=O)n21 ZINC000013641989 206986263 /nfs/dbraw/zinc/98/62/63/206986263.db2.gz ZNRGTHNPHDDZTL-OAHLLOKOSA-N 0 0 383.267 3.790 1 0 GHAFRN Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn3c2ncc(C)c3C)cc1 ZINC000013861629 207002462 /nfs/dbraw/zinc/00/24/62/207002462.db2.gz ZAWZPAUDERZGKO-UHFFFAOYSA-N 0 0 392.484 3.636 1 0 GHAFRN Cc1nnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1C ZINC000013861633 207003364 /nfs/dbraw/zinc/00/33/64/207003364.db2.gz LMCZRCDKXJOKRD-UHFFFAOYSA-N 0 0 396.447 3.618 1 0 GHAFRN CONC(=O)CC1=C(C)/C(=C/c2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 ZINC000013888112 207004061 /nfs/dbraw/zinc/00/40/61/207004061.db2.gz LPKYUGWFGNHHKX-YGGDZEEMSA-N 0 0 385.460 3.959 1 0 GHAFRN CCOC(=O)c1c2cc(O)ccc2[nH]c1N1CCN(c2ccc(F)cc2)CC1 ZINC000014978439 207037301 /nfs/dbraw/zinc/03/73/01/207037301.db2.gz VPWNJFJBAHNBJR-UHFFFAOYSA-N 0 0 383.423 3.516 1 0 GHAFRN COCc1ccc2n1C[C@@H](N1CCN(C)CC1)c1cc(Cl)ccc1S2 ZINC000022930411 207265265 /nfs/dbraw/zinc/26/52/65/207265265.db2.gz AHDOWCJMWQLFRW-QGZVFWFLSA-N 0 0 377.941 3.741 1 0 GHAFRN O[C@](Cn1ccnc1)(c1cccc(Br)c1)c1ccc(F)cc1F ZINC000026940823 207321071 /nfs/dbraw/zinc/32/10/71/207321071.db2.gz IVTBRZFDGTULIF-QGZVFWFLSA-N 0 0 379.204 3.860 1 0 GHAFRN CCn1cc2c(n1)Nc1cc(Cl)c(Cl)cc1N=C2N1CCN(C)CC1 ZINC000026574882 207315638 /nfs/dbraw/zinc/31/56/38/207315638.db2.gz HCQLXDPSICPBJU-UHFFFAOYSA-N 0 0 379.295 3.593 1 0 GHAFRN O=C1NC(=O)[C@@H](Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)S1 ZINC000026578571 207316088 /nfs/dbraw/zinc/31/60/88/207316088.db2.gz IQSACVLDGFTISB-QGZVFWFLSA-N 0 0 380.425 3.815 1 0 GHAFRN Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O ZINC000027858298 207332489 /nfs/dbraw/zinc/33/24/89/207332489.db2.gz GICQFAWDMCTLDM-UHFFFAOYSA-N 0 0 387.483 3.967 1 0 GHAFRN CCCSc1nc(S[C@@H](CC)C(N)=O)nc2c1cnn2-c1ccccc1 ZINC000027191562 207324541 /nfs/dbraw/zinc/32/45/41/207324541.db2.gz BFNPUELVFKCJIH-AWEZNQCLSA-N 0 0 387.534 3.674 1 0 GHAFRN O=C([O-])CC[NH+]1CCC(=C2c3ccc(Cl)cc3OCc3cccnc32)CC1 ZINC000027558277 207327746 /nfs/dbraw/zinc/32/77/46/207327746.db2.gz PAYHXTDCJGHPJI-UHFFFAOYSA-N 0 0 384.863 4.000 1 0 GHAFRN COc1ccc(CN2c3cc(C)ccc3S(=O)(=O)N(C)c3cccnc32)cc1 ZINC000028637288 207345267 /nfs/dbraw/zinc/34/52/67/207345267.db2.gz MKFWBXRGPXZSOL-UHFFFAOYSA-N 0 0 395.484 3.875 1 0 GHAFRN CC(C)NC(=O)c1nc2c(ncn2C(C)C)c(NCc2ccc(Cl)cc2)n1 ZINC000028642630 207347280 /nfs/dbraw/zinc/34/72/80/207347280.db2.gz CKMTZEULFMASGD-UHFFFAOYSA-N 0 0 386.887 3.811 1 0 GHAFRN CO/C=C(/C(=O)OC)c1cc(Cl)ccc1Cn1cc(-c2ccccc2)nn1 ZINC000028822336 207349400 /nfs/dbraw/zinc/34/94/00/207349400.db2.gz XWMUDOPICBVUAJ-QGOAFFKASA-N 0 0 383.835 3.807 1 0 GHAFRN COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)cc3F)n2C)cc1 ZINC000029124715 207356120 /nfs/dbraw/zinc/35/61/20/207356120.db2.gz USCBGJJRGLLACV-NMWGTECJSA-N 0 0 389.427 3.787 1 0 GHAFRN O=C(Cc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccncc1 ZINC000029397091 207361632 /nfs/dbraw/zinc/36/16/32/207361632.db2.gz ZZGLFIDEDWPDFU-UHFFFAOYSA-N 0 0 375.815 3.860 1 0 GHAFRN C[C@H]1[C@H](N2CCOCC2)Oc2cc3c(cc2[C@@H]1c1ccc(Cl)cc1)OCO3 ZINC000031860870 207387173 /nfs/dbraw/zinc/38/71/73/207387173.db2.gz MTZMFRTXAVZTJP-HBUDHLSFSA-N 0 0 387.863 3.887 1 0 GHAFRN COc1cc(Nc2ncc3c(n2)N(c2ccccn2)CCC3)cc(OC)c1OC ZINC000036348604 207523083 /nfs/dbraw/zinc/52/30/83/207523083.db2.gz VJBNZXSYAZLKKN-UHFFFAOYSA-N 0 0 393.447 3.725 1 0 GHAFRN COc1cccc(F)c1[C@H]1SCC(=O)N1c1cc(Br)ccn1 ZINC000040845241 207611358 /nfs/dbraw/zinc/61/13/58/207611358.db2.gz UUMIIYJWUMMXMV-OAHLLOKOSA-N 0 0 383.242 3.770 1 0 GHAFRN Cc1csc(NC(=O)c2cccc(Oc3ccccc3S(C)(=O)=O)c2)n1 ZINC000040900667 207614122 /nfs/dbraw/zinc/61/41/22/207614122.db2.gz QQYKORBQPJWRJA-UHFFFAOYSA-N 0 0 388.470 3.900 1 0 GHAFRN Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CC[C@@]1(CCc2cc(F)ccc21)O3 ZINC000040933103 207616135 /nfs/dbraw/zinc/61/61/35/207616135.db2.gz JBCUIEXUERRWDR-HSZRJFAPSA-N 0 0 393.462 3.959 1 0 GHAFRN Cn1c(=O)c(Nc2ccc(F)cn2)cc2cnnc(-c3ccc(F)cc3F)c21 ZINC000064416940 207799005 /nfs/dbraw/zinc/79/90/05/207799005.db2.gz SVELBQSMALGQTL-UHFFFAOYSA-N 0 0 383.333 3.551 1 0 GHAFRN CCOC(=O)c1cnn2c1N(C(=O)Nc1cccc(F)c1)[C@@H](c1ccccc1)C2 ZINC000073198828 208034831 /nfs/dbraw/zinc/03/48/31/208034831.db2.gz PWZACZYZSCVQDG-GOSISDBHSA-N 0 0 394.406 3.992 1 0 GHAFRN CC1(C)Cc2c(c(C(F)(F)F)nn2-c2ccc3c(N)ncnc3c2)C(=O)C1 ZINC000084602986 208093413 /nfs/dbraw/zinc/09/34/13/208093413.db2.gz FWLCMMDYOTYCHR-UHFFFAOYSA-N 0 0 375.354 3.572 1 0 GHAFRN CN1C(=N)N[C@](c2ccccc2)(c2cccc(-c3cncc(Cl)c3)c2)C1=O ZINC000084603716 208093618 /nfs/dbraw/zinc/09/36/18/208093618.db2.gz WCLBHPJZARGGNQ-OAQYLSRUSA-N 0 0 376.847 3.642 1 0 GHAFRN COc1ccncc1NC(=O)c1ccnc2[nH]c(-c3cccc(Cl)c3)nc21 ZINC000084652575 208096378 /nfs/dbraw/zinc/09/63/78/208096378.db2.gz INWNNIGJNOJZRV-UHFFFAOYSA-N 0 0 379.807 3.934 1 0 GHAFRN CC(C)[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1 ZINC000059813931 136155830 /nfs/dbraw/zinc/15/58/30/136155830.db2.gz AIMFEWLIPNKZOB-KRWDZBQOSA-N 0 0 376.936 3.601 3 0 GHAFRN Cc1ccnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)n1 ZINC000096285054 136186059 /nfs/dbraw/zinc/18/60/59/136186059.db2.gz PJNFKBWIINHXIA-UHFFFAOYSA-N 0 0 389.503 3.676 1 0 GHAFRN Cn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1 ZINC000103243000 136191010 /nfs/dbraw/zinc/19/10/10/136191010.db2.gz YJKHGJGDWHXZBG-UHFFFAOYSA-N 0 0 376.439 3.812 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3cc(Cl)cc(Cl)n3)CC2)c1 ZINC000103254366 136191093 /nfs/dbraw/zinc/19/10/93/136191093.db2.gz RXEJRZPYZFSVNA-UHFFFAOYSA-N 0 0 396.347 3.919 1 0 GHAFRN CC(C)(C)[C@@H]1CC[C@H](O)[C@H]([C@H](O)CC2CC(=O)N(c3ccccc3)C(=O)C2)C1 ZINC000005539415 517390429 /nfs/dbraw/zinc/39/04/29/517390429.db2.gz MAYJEKMDSIJSLX-RSPOEFSDSA-N 0 0 387.520 3.531 1 0 GHAFRN CC1(C)Oc2cc(N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 ZINC000058538326 535005007 /nfs/dbraw/zinc/00/50/07/535005007.db2.gz WBXCUQWWPZCILV-CSGPRAOESA-N 0 0 385.504 3.706 1 0 GHAFRN CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(C)cc2)CC1 ZINC000095568360 535183555 /nfs/dbraw/zinc/18/35/55/535183555.db2.gz KTPRUGZPTAIKJT-JOCHJYFZSA-N 0 0 390.535 3.693 3 0 GHAFRN Cc1cccc(Cl)c1Nc1nc2ccc(N3CC[C@H](O)C3)nc2n2cncc12 ZINC000013582062 581091973 /nfs/dbraw/zinc/09/19/73/581091973.db2.gz HAQFEVNHDLLLPV-ZDUSSCGKSA-N 0 0 394.866 3.554 1 0 GHAFRN O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCNc1ccccc1 ZINC000040420630 581098051 /nfs/dbraw/zinc/09/80/51/581098051.db2.gz WRJJTOFYAHDGGN-UHFFFAOYSA-N 0 0 385.423 3.886 1 0 GHAFRN Cc1ccc2c(c1)CN(CCNC(=O)CCc1c[nH]c3ccccc13)C[C@H](C)O2 ZINC000014999073 210142683 /nfs/dbraw/zinc/14/26/83/210142683.db2.gz VQUNGJBCZKICGX-SFHVURJKSA-N 0 0 391.515 3.808 1 0 GHAFRN O=C(N1CCOCC1)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccc(F)cc21 ZINC000013758929 210088855 /nfs/dbraw/zinc/08/88/55/210088855.db2.gz OTJAJONHEVXPKD-UHFFFAOYSA-N 0 0 396.397 3.590 1 0 GHAFRN COc1ccc(CNC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1OC ZINC000013651296 210075311 /nfs/dbraw/zinc/07/53/11/210075311.db2.gz OHZUIGRCYMZGGA-HSZRJFAPSA-N 0 0 399.487 3.735 1 0 GHAFRN c1ccc(COc2nn3c(-c4ccncc4)nnc3c3c2C2CCC3CC2)nc1 ZINC000013610209 210072290 /nfs/dbraw/zinc/07/22/90/210072290.db2.gz QLJXPWQJEPOAOB-UHFFFAOYSA-N 0 0 384.443 3.915 1 0 GHAFRN O=C1CCCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCNC1=O)N2 ZINC000013579996 210069594 /nfs/dbraw/zinc/06/95/94/210069594.db2.gz XSBZYYOWVFELQB-OAHLLOKOSA-N 0 0 391.240 3.896 1 0 GHAFRN CCCN(CCC)c1nc(C)nc2c1nn(C)c2-c1ccc(OC)cc1OC ZINC000013445084 210060456 /nfs/dbraw/zinc/06/04/56/210060456.db2.gz VQUXTKFPDOEURK-UHFFFAOYSA-N 0 0 383.496 3.982 1 0 GHAFRN CCCCn1c2[nH]c(C34C[C@H]5CC3C[C@@H](C4)C5)nc2c(=O)n(CCCC)c1=O ZINC000012405353 209948756 /nfs/dbraw/zinc/94/87/56/209948756.db2.gz HCNHZOGZOBKLPY-QUKRRQHZSA-N 0 0 384.524 3.564 1 0 GHAFRN CCC[C@H]1CC(=O)Oc2c(C(=O)[C@@H](C)[C@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 ZINC000095909981 291131635 /nfs/dbraw/zinc/13/16/35/291131635.db2.gz QVXVUACNNIWBIU-AVGNSLFASA-N 0 0 388.460 3.969 1 0 biogenic,in-vitro GHAFRN CN1C2=C(C(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@@H](c2ccccc2)NC1=O ZINC000004337500 209480701 /nfs/dbraw/zinc/48/07/01/209480701.db2.gz BYLQCONKPQTAJL-QGZVFWFLSA-N 0 0 387.361 3.702 3 0 GHAFRN CCCCN(CCCC)C1=Nc2ccccc2-n2c(nnc2C(=O)OCC)C1 ZINC000001856418 209341419 /nfs/dbraw/zinc/34/14/19/209341419.db2.gz LNAVGQKMJZTDOT-UHFFFAOYSA-N 0 0 383.496 3.932 1 0 GHAFRN COCC(COC)n1nnc2c1cc(C)nc2Nc1c(C)cc(C)cc1Cl ZINC000001488508 209330591 /nfs/dbraw/zinc/33/05/91/209330591.db2.gz ZQDGDIAWYBGDRC-UHFFFAOYSA-N 0 0 389.887 3.982 1 0 GHAFRN CC1(C)c2ccccc2[C@H](c2ccc(NC(=O)CN3CCCCC3)cc2)NC1=O ZINC000033823682 209245134 /nfs/dbraw/zinc/24/51/34/209245134.db2.gz HOQLGIUIKZYHCD-QFIPXVFZSA-N 0 0 391.515 3.608 1 0 GHAFRN COc1cc(-c2c3c(cc4cc5c(cc42)OCO5)COC3=O)cc(OC)c1OC ZINC000013436455 209192729 /nfs/dbraw/zinc/19/27/29/209192729.db2.gz SSVGOUAYPDYOAE-UHFFFAOYSA-N 0 0 394.379 3.932 1 0 GHAFRN COc1cc(OC)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 ZINC000169351450 211637369 /nfs/dbraw/zinc/63/73/69/211637369.db2.gz GJXBNMQVPACYFS-CQSZACIVSA-N 0 0 386.260 3.579 1 0 GHAFRN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3ccc(Cl)cc3nc2Cl)S1 ZINC000098083276 211377709 /nfs/dbraw/zinc/37/77/09/211377709.db2.gz ZDSKLKJHXSSGGL-CQSZACIVSA-N 0 0 383.260 3.543 1 0 GHAFRN COc1ccc([C@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)cc32)cc1OC ZINC000100873111 211392243 /nfs/dbraw/zinc/39/22/43/211392243.db2.gz WQMKLXGDGCQPMJ-LJQANCHMSA-N 0 0 383.400 3.739 1 0 GHAFRN COc1cc(-c2c3c(cc4ccc5c(c42)OCO5)C(=O)OC3)ccc1OC(C)=O ZINC000096909750 211350568 /nfs/dbraw/zinc/35/05/68/211350568.db2.gz FQDLDTRGWLTZSV-UHFFFAOYSA-N 0 0 392.363 3.840 1 0 GHAFRN COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@H]1c1ccc(F)cc1 ZINC000095604825 211282691 /nfs/dbraw/zinc/28/26/91/211282691.db2.gz BSCLSCAWTSMTBD-SFHVURJKSA-N 0 0 388.439 3.843 3 0 GHAFRN COc1cc2c(cc1OC)[C@H]1CCc3cc(OC)c(OC)c(OC)c3[C@@H](C2)N1C ZINC000084652325 211172228 /nfs/dbraw/zinc/17/22/28/211172228.db2.gz OTAWNKSAWJUZRE-IAGOWNOFSA-N 0 0 399.487 3.946 1 0 GHAFRN COC(=O)c1cc2c3cc(O)ccc3[nH]c2c(C(=O)c2c[nH]c3ccccc23)n1 ZINC000073298641 211126283 /nfs/dbraw/zinc/12/62/83/211126283.db2.gz LHXMMHHWCIGSJD-UHFFFAOYSA-N 0 0 385.379 3.921 1 0 GHAFRN COC(=O)C1CCN(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000072140811 211074270 /nfs/dbraw/zinc/07/42/70/211074270.db2.gz FTCKPBVIZZGBEE-UHFFFAOYSA-N 0 0 384.354 3.625 1 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000072136634 211073850 /nfs/dbraw/zinc/07/38/50/211073850.db2.gz SFTQKTDOOWVEPG-SFHVURJKSA-N 0 0 391.876 3.575 3 0 GHAFRN O=C(C1CCCCC1)N1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@H]1c1ccccc1 ZINC000072134150 211074018 /nfs/dbraw/zinc/07/40/18/211074018.db2.gz YMKHQRZYFGOHSL-FDFHNCONSA-N 0 0 394.519 3.611 1 0 GHAFRN O=C(C1CCCCC1)N1C[C@@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccccc1 ZINC000072130072 211072464 /nfs/dbraw/zinc/07/24/64/211072464.db2.gz BKHWATRHOPCZPO-VSKRKVRLSA-N 0 0 394.519 3.611 1 0 GHAFRN O=C1c2cc(OC(F)(F)F)ccc2N(Cc2ccc(-c3ccncc3)cn2)C1=O ZINC000064539714 210940703 /nfs/dbraw/zinc/94/07/03/210940703.db2.gz PTNZNAUXIBHEHN-UHFFFAOYSA-N 0 0 399.328 3.772 1 0 GHAFRN Fc1ccc(-c2ncn(CCN3CCOCC3)c2-c2ccc3n[nH]cc3c2)cc1 ZINC000063298065 210934884 /nfs/dbraw/zinc/93/48/84/210934884.db2.gz RVPSPMYVDLPRIK-UHFFFAOYSA-N 0 0 391.450 3.565 1 0 GHAFRN O=C(Nc1cc(F)ccc1F)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000062178755 210934869 /nfs/dbraw/zinc/93/48/69/210934869.db2.gz BTQURMFHMPXUJB-QXUMQBBKSA-N 0 0 394.377 3.529 1 0 GHAFRN CCOC(=O)c1c2n(c(-c3ccccc3)nc1=Nc1ccc(Cl)cc1)CCN2 ZINC000045286784 210822636 /nfs/dbraw/zinc/82/26/36/210822636.db2.gz XTMJTAMILUMGEL-UHFFFAOYSA-N 0 0 394.862 3.701 1 0 GHAFRN COC(=O)c1ccc(-c2c(Cl)nc(Cl)c(=O)n2-c2ccccc2)cc1 ZINC000043020207 210805777 /nfs/dbraw/zinc/80/57/77/210805777.db2.gz ZVMGHWMZJCBKOU-UHFFFAOYSA-N 0 0 375.211 3.993 1 0 GHAFRN CN1c2ccc(Cl)cc2C(=O)N[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000040812488 210794355 /nfs/dbraw/zinc/79/43/55/210794355.db2.gz SWCCSBOPPYKDCE-IBGZPJMESA-N 0 0 391.858 3.720 1 0 GHAFRN Cc1cc(Cl)cc2c1S(=O)(=O)N[C@H](C(=O)c1ccc(Cl)cc1)S2 ZINC000040378977 210785177 /nfs/dbraw/zinc/78/51/77/210785177.db2.gz OCSDHEOJKJQNEH-HNNXBMFYSA-N 0 0 388.297 3.895 1 0 GHAFRN CC(C)C[C@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccccc2)C1=O ZINC000036382382 210724000 /nfs/dbraw/zinc/72/40/00/210724000.db2.gz NLZMBYLKAFVWPB-GOSISDBHSA-N 0 0 379.508 3.840 3 0 GHAFRN Cc1ccc(Cl)c(NC(=O)CN2CCC(c3cccc[n+]3[O-])CC2)c1Cl ZINC000035075424 210675466 /nfs/dbraw/zinc/67/54/66/210675466.db2.gz JJCLIJPUGZLKAK-UHFFFAOYSA-N 0 0 394.302 3.753 1 0 GHAFRN COc1cccc(NC(=S)N2CCN(c3cccc(Cl)c3Cl)CC2)n1 ZINC000095566405 136182056 /nfs/dbraw/zinc/18/20/56/136182056.db2.gz KBSNQCKZPQKRLM-UHFFFAOYSA-N 0 0 397.331 3.916 1 0 GHAFRN COc1ccnc(NC(=S)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1 ZINC000095567982 136182092 /nfs/dbraw/zinc/18/20/92/136182092.db2.gz WQOLUYMUMKYWJE-UHFFFAOYSA-N 0 0 397.331 3.916 1 0 GHAFRN O=C1CN2CCCC[C@H]2C(=O)N1c1cc(OC2CCCC2)c(Cl)cc1F ZINC000103293977 136191127 /nfs/dbraw/zinc/19/11/27/136191127.db2.gz URVYXOGAABCSIW-HNNXBMFYSA-N 0 0 380.847 3.528 1 0 GHAFRN CC1(C)C[C@](CCNc2ccc(S(N)(=O)=O)cc2)(c2ccccc2)CCO1 ZINC000072107584 222205884 /nfs/dbraw/zinc/20/58/84/222205884.db2.gz ZTSQNKNSRJRIFN-OAQYLSRUSA-N 0 0 388.533 3.663 1 0 GHAFRN CC1(C)OC(=O)C(Oc2ccc3[nH]ccc3c2)=C1c1ccc(S(C)(=O)=O)cc1 ZINC000003814825 581093664 /nfs/dbraw/zinc/09/36/64/581093664.db2.gz QXPOHFKFFDZLPM-UHFFFAOYSA-N 0 0 397.452 3.697 1 0 GHAFRN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)C2=C(C)OCCO2)cc1 ZINC000015063372 210146541 /nfs/dbraw/zinc/14/65/41/210146541.db2.gz VUNBWWHYVLQWTF-SFHVURJKSA-N 0 0 381.476 3.589 3 0 GHAFRN COc1ccc(C2=C(OC(C)=O)c3cccn3-c3ccccc3[S@]2=O)cc1 ZINC000013739870 210085549 /nfs/dbraw/zinc/08/55/49/210085549.db2.gz CCQMQGCSDDLYDY-MHZLTWQESA-N 0 0 379.437 3.996 1 0 GHAFRN O=c1c2ccccc2c(-c2cccc(C(F)(F)F)c2)nn1CCn1ccnc1 ZINC000013600487 210070017 /nfs/dbraw/zinc/07/00/17/210070017.db2.gz CCBBJJPOZAMCNI-UHFFFAOYSA-N 0 0 384.361 3.979 1 0 GHAFRN CCOC(=O)N1CCN(c2cc(-c3ccccc3)nc3nc(C)ccc23)CC1 ZINC000013579515 210069241 /nfs/dbraw/zinc/06/92/41/210069241.db2.gz XNJLKQQDQSMCOC-UHFFFAOYSA-N 0 0 376.460 3.884 1 0 GHAFRN COC(=O)c1c(C)n(C)c2ccc3c(c21)CN1CCc2cc(OC)ccc2[C@@H]1O3 ZINC000013474826 210063812 /nfs/dbraw/zinc/06/38/12/210063812.db2.gz IBWCPVIKXQCSIK-QFIPXVFZSA-N 0 0 392.455 3.731 1 0 GHAFRN COc1cc([C@@H]2C3CCc4ccccc4C3=Nc3ncnn32)cc(OC)c1OC ZINC000013130916 210054372 /nfs/dbraw/zinc/05/43/72/210054372.db2.gz QPIUOJGCQVLIFW-HXUWFJFHSA-N 0 0 390.443 3.676 3 0 GHAFRN CO[C@@H](c1nnc(CCC(=O)N(C)Cc2sccc2C)o1)c1ccccc1 ZINC000012208142 209921985 /nfs/dbraw/zinc/92/19/85/209921985.db2.gz APKUBFMKCRAENV-LJQANCHMSA-N 0 0 385.489 3.767 1 0 GHAFRN COC(=O)/C=C1\CC[C@@H]2[C@@H](C(=O)C[C@@H]3[C@](C)(C(=O)OC)CCC[C@]23C)[C@@H]1C ZINC000005808248 209616080 /nfs/dbraw/zinc/61/60/80/209616080.db2.gz UMKMKHVTQXNBRV-RPGBTNBRSA-N 0 0 376.493 3.707 1 0 GHAFRN COc1c2c(c(-c3ccc4c(c3)OCO4)c3cc4c(cc31)OCO4)C(=O)CO2 ZINC000033833878 291132375 /nfs/dbraw/zinc/13/23/75/291132375.db2.gz GBYROJNZMZOSDJ-UHFFFAOYSA-N 0 0 378.336 3.548 1 0 biogenic,in-vitro GHAFRN O=C1CS(=O)(=O)[C@@H](c2cccc(Oc3ccccc3)c2)N1c1ccccc1 ZINC000001659500 209335990 /nfs/dbraw/zinc/33/59/90/209335990.db2.gz SLOTXYGXLAYLRH-NRFANRHFSA-N 0 0 379.437 3.939 1 0 GHAFRN COC(=O)c1cc(-c2cccn2C)c2c(c3ccccc3n2C)c1C(=O)OC ZINC000001614298 209334168 /nfs/dbraw/zinc/33/41/68/209334168.db2.gz FOJKTOULWDGGGW-UHFFFAOYSA-N 0 0 376.412 3.910 1 0 GHAFRN COC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 ZINC000000587579 209250930 /nfs/dbraw/zinc/25/09/30/209250930.db2.gz PUQBWQLJPRIWLI-UHFFFAOYSA-N 0 0 380.231 3.926 1 0 GHAFRN COc1ccc2c(c1)c(-n1cncn1)nnc2Cc1c(Cl)cncc1Cl ZINC000000602416 209249806 /nfs/dbraw/zinc/24/98/06/209249806.db2.gz XXWSOEGOQFQTGV-UHFFFAOYSA-N 0 0 387.230 3.512 1 0 GHAFRN CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c43)[C@H]2C[C@H]1/C(=C/OC)C(=O)OC ZINC000238763370 209213050 /nfs/dbraw/zinc/21/30/50/209213050.db2.gz LELBFTMXCIIKKX-YXRDEOGLSA-N 0 0 398.503 3.825 1 0 GHAFRN Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)c2)cc1C ZINC000000991799 211502002 /nfs/dbraw/zinc/50/20/02/211502002.db2.gz LLLMEOKZBBYXLI-IFCLKOLQSA-N 0 0 386.451 3.867 1 0 GHAFRN CSc1nnc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000103235962 211425314 /nfs/dbraw/zinc/42/53/14/211425314.db2.gz ODAPOIHAXWDMLE-UHFFFAOYSA-N 0 0 391.905 3.984 1 0 GHAFRN COc1nc(C[S@@](=O)c2nc3ccccc3[nH]2)nc2sc3c(c21)CCCC3 ZINC000098083653 211380836 /nfs/dbraw/zinc/38/08/36/211380836.db2.gz QWSNSFNSPJSPHF-MHZLTWQESA-N 0 0 398.513 3.763 1 0 GHAFRN CCCCCN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccc(S(C)(=O)=O)cc1 ZINC000098083993 211379315 /nfs/dbraw/zinc/37/93/15/211379315.db2.gz GEPFHSWMJJNRBR-UXHICEINSA-N 0 0 387.501 3.611 1 0 GHAFRN NC(=O)c1cccn2cc(-c3cccc(-c4cncc(OCCF)c4)c3)nc12 ZINC000096916051 211351328 /nfs/dbraw/zinc/35/13/28/211351328.db2.gz SHUPBUNINDTYGB-UHFFFAOYSA-N 0 0 376.391 3.511 1 0 GHAFRN C[C@@H]1CCN(C2[C@@H]3CC4C[C@H]2CC(O)(C4)C3)C(=O)c2cnn(-c3ccccc3)c21 ZINC000095592171 211280277 /nfs/dbraw/zinc/28/02/77/211280277.db2.gz JJXYNYARGQTPAD-GQORNFJBSA-N 0 0 391.515 3.761 1 0 GHAFRN CC[C@H](C)N1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl ZINC000095565105 211277328 /nfs/dbraw/zinc/27/73/28/211277328.db2.gz RBDMCBLYUAKCSJ-GXFFZTMASA-N 0 0 376.806 3.765 1 0 GHAFRN Fc1cnc(Nc2ccc(-c3nn[nH]n3)cc2)nc1Nc1ccccc1Cl ZINC000087613231 211179255 /nfs/dbraw/zinc/17/92/55/211179255.db2.gz JGBVPRGLWQWHIG-UHFFFAOYSA-N 0 0 382.790 3.936 1 0 GHAFRN COc1cc(N)ccc1-c1nc2s[nH]c(-c3ccc(F)cc3F)c-2c(=O)n1 ZINC000084633787 211173029 /nfs/dbraw/zinc/17/30/29/211173029.db2.gz ROZAIVIPIKBUMP-UHFFFAOYSA-N 0 0 386.383 3.583 1 0 GHAFRN COc1cc(C(=O)N[C@@H]2COc3cccc(Cl)c32)ccc1-n1cnc(C)c1 ZINC000084634460 211172642 /nfs/dbraw/zinc/17/26/42/211172642.db2.gz IZHHTPLUEWGDDL-OAHLLOKOSA-N 0 0 383.835 3.706 1 0 GHAFRN Clc1ccc2c(c1)COCc1nnc(C3CCN(c4ccccn4)CC3)n1-2 ZINC000072123100 211071870 /nfs/dbraw/zinc/07/18/70/211071870.db2.gz AQPGHFQMSUAWHT-UHFFFAOYSA-N 0 0 381.867 3.730 1 0 GHAFRN CS(=O)(=O)Nc1ccc2c(c1)[C@H](O)c1cc(-c3ccccc3)cnc1C=C2 ZINC000072110873 211070445 /nfs/dbraw/zinc/07/04/45/211070445.db2.gz WXKUPXNRORPGDD-NRFANRHFSA-N 0 0 378.453 3.686 1 0 GHAFRN Cc1ccccc1CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1cccs1 ZINC000061903383 210929985 /nfs/dbraw/zinc/92/99/85/210929985.db2.gz GZJYQFDHQZDJDM-UHFFFAOYSA-N 0 0 377.469 3.880 3 0 GHAFRN CC(=O)NCn1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(=O)o1 ZINC000028525136 210528048 /nfs/dbraw/zinc/52/80/48/210528048.db2.gz QJMRXVIDJMNXSF-UHFFFAOYSA-N 0 0 376.334 3.888 1 0 GHAFRN CC(C)(C(=O)N1CCCC1)c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O ZINC000026393692 210496337 /nfs/dbraw/zinc/49/63/37/210496337.db2.gz DQXCBXPAYZOJGE-PGRDOPGGSA-N 0 0 379.500 3.871 1 0 GHAFRN COc1nc2ccccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1 ZINC000064447819 136156718 /nfs/dbraw/zinc/15/67/18/136156718.db2.gz VUGPAVZLAQRHCV-UHFFFAOYSA-N 0 0 391.475 3.609 1 0 GHAFRN Cc1cc(N2CCOCC2)nc2ccc(NC(=S)N3CCCC[C@H]3C)cc12 ZINC000004969795 136194496 /nfs/dbraw/zinc/19/44/96/136194496.db2.gz POSFNCTYWHGORE-MRXNPFEDSA-N 0 0 384.549 3.951 3 0 GHAFRN Cc1ccc2c(n1)N(Cc1ccccc1)C[C@@H](C(=O)NC1CCCCC1)[C@H]2O ZINC000195267172 136202688 /nfs/dbraw/zinc/20/26/88/136202688.db2.gz WVCDDLORMKFNDV-RTWAWAEBSA-N 0 0 379.504 3.509 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2sc3ncnn3c2-c2cc(F)cc(F)c2)cc1 ZINC000027711102 221658569 /nfs/dbraw/zinc/65/85/69/221658569.db2.gz FZXHCCKCXBZUPR-UHFFFAOYSA-N 0 0 391.424 3.807 1 0 GHAFRN Cc1c(CO)nc2c(NCc3c(C)cccc3C)cc(-n3ccccc3=O)cn12 ZINC000040976851 221936650 /nfs/dbraw/zinc/93/66/50/221936650.db2.gz VWDYNTDMLRLDHF-UHFFFAOYSA-N 0 0 388.471 3.515 1 0 GHAFRN Nc1nc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2[nH]c1=O ZINC000014974126 210139487 /nfs/dbraw/zinc/13/94/87/210139487.db2.gz CORBDYOIGBQLNW-UHFFFAOYSA-N 0 0 399.332 3.773 1 0 GHAFRN CCn1c(=O)ccc2cnc(Nc3cccc(OC(F)(F)C(F)F)c3)nc21 ZINC000013835407 210093991 /nfs/dbraw/zinc/09/39/91/210093991.db2.gz IIFSTQQBGVASBN-UHFFFAOYSA-N 0 0 382.317 3.792 1 0 GHAFRN CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccccc1OC)CCC3 ZINC000013837592 210093399 /nfs/dbraw/zinc/09/33/99/210093399.db2.gz HFZKPMATXQMMMA-SFHVURJKSA-N 0 0 380.444 3.523 1 0 GHAFRN COc1ccc(-c2noc(N3CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)n2)cc1 ZINC000006834201 209695101 /nfs/dbraw/zinc/69/51/01/209695101.db2.gz VHLFDOASDKHYSW-DNVCBOLYSA-N 0 0 398.507 3.657 1 0 GHAFRN Cc1nc2c(s1)-c1nc(Nc3ccc(N4CCOCC4)cc3)ncc1CC2 ZINC000006744726 209677409 /nfs/dbraw/zinc/67/74/09/209677409.db2.gz CZKOEIIINXNUJD-UHFFFAOYSA-N 0 0 379.489 3.587 1 0 GHAFRN COc1cc2c(cc1OC)[C@@H]1C[C@H](OC)c3c4c(ccc3[C@H]1N(C)CC2)OCO4 ZINC000070454108 291133240 /nfs/dbraw/zinc/13/32/40/291133240.db2.gz GQSAHKOBBMFTKF-XUEUYAKLSA-N 0 0 397.471 3.837 1 0 biogenic,in-vitro GHAFRN COc1cc2oc(-c3ccccc3)cc(O)c-2c(=O)c1-c1coc(C)c(O)c1=O ZINC000014441502 291133254 /nfs/dbraw/zinc/13/32/54/291133254.db2.gz HYUWNBOIDCNLJZ-UHFFFAOYSA-N 0 0 392.363 3.808 1 0 biogenic,in-vitro GHAFRN O=C(Nc1cccc(F)c1)N1CCC2(CC1)CCN(C(=O)c1ccncc1)CC2 ZINC000004238165 209473516 /nfs/dbraw/zinc/47/35/16/209473516.db2.gz JOJKNUSHAFDRCN-UHFFFAOYSA-N 0 0 396.466 3.771 1 0 GHAFRN CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC)OCC ZINC000001644552 209335077 /nfs/dbraw/zinc/33/50/77/209335077.db2.gz LNBKHNFBZUZDFR-UHFFFAOYSA-N 0 0 375.202 3.820 1 0 GHAFRN Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1cccs1 ZINC000014945551 209235023 /nfs/dbraw/zinc/23/50/23/209235023.db2.gz JXZDETNFHHPYMT-UHFFFAOYSA-N 0 0 383.379 3.718 1 0 GHAFRN CC(C)(C)c1cc(NC(=O)[C@H]2CCCN2c2ccc(C(F)(F)F)cn2)no1 ZINC000147442402 211497271 /nfs/dbraw/zinc/49/72/71/211497271.db2.gz WWVQOPCDGDSZNA-GFCCVEGCSA-N 0 0 382.386 3.993 1 0 GHAFRN COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccnc(-n2cccn2)c1 ZINC000098176763 211380579 /nfs/dbraw/zinc/38/05/79/211380579.db2.gz PWSFCQLTGJJVSI-QGZVFWFLSA-N 0 0 392.459 3.538 1 0 GHAFRN CC[S@@](=O)C(=O)N(CCCC[S@](C)=O)Cc1ccc(C(C)(C)C)cc1 ZINC000096930137 211352089 /nfs/dbraw/zinc/35/20/89/211352089.db2.gz UQFQXYBCQQVZQG-RPBOFIJWSA-N 0 0 385.595 3.833 1 0 GHAFRN CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1CCc1c[nH]c2ccccc12 ZINC000095604893 211282091 /nfs/dbraw/zinc/28/20/91/211282091.db2.gz ZOCGRQBAGIVUDE-HXUWFJFHSA-N 0 0 386.459 3.523 3 0 GHAFRN Cn1c2ccccc2c2c1Cn1c(c(CO)c(CO)c1-c1ccc(F)c(F)c1)C2 ZINC000095591065 211279724 /nfs/dbraw/zinc/27/97/24/211279724.db2.gz NTBBGEGDCJUSNE-UHFFFAOYSA-N 0 0 394.421 3.862 1 0 GHAFRN CC(C)CS(=O)(=O)c1ccc2[nH]c(N3CCO[C@@H](c4ccccc4)C3)nc2c1 ZINC000095576163 211279192 /nfs/dbraw/zinc/27/91/92/211279192.db2.gz FYQMEPATKVNLTL-HXUWFJFHSA-N 0 0 399.516 3.571 1 0 GHAFRN CCOC(=O)C[C@]1(CC)Oc2ccccc2N1S(=O)(=O)c1ccc(C)cc1 ZINC000095571561 211278976 /nfs/dbraw/zinc/27/89/76/211278976.db2.gz MGXJQCQHCJDOFM-FQEVSTJZSA-N 0 0 389.473 3.642 3 0 GHAFRN Cc1ccc(CN2C(=O)CC[C@@]2(C)c2nnnn2-c2c(C)cccc2C)cc1 ZINC000095566318 211278982 /nfs/dbraw/zinc/27/89/82/211278982.db2.gz DSSXXWPBOJDCAG-QFIPXVFZSA-N 0 0 375.476 3.625 3 0 GHAFRN Cn1cc(NC(=O)c2cnn3cccnc23)c(-c2c(Cl)cccc2Cl)n1 ZINC000095575092 211279158 /nfs/dbraw/zinc/27/91/58/211279158.db2.gz JRCGYAAWGVMLMW-UHFFFAOYSA-N 0 0 387.230 3.689 1 0 GHAFRN Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1ccc(C(=O)c3cccnc3)cc1-2 ZINC000095553677 211276716 /nfs/dbraw/zinc/27/67/16/211276716.db2.gz WMZRGJNFVYCBOW-UHFFFAOYSA-N 0 0 378.391 3.563 1 0 GHAFRN CCOC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc2ccccc21 ZINC000084758099 211176559 /nfs/dbraw/zinc/17/65/59/211176559.db2.gz PCRLBWQGZGUXJH-FQEVSTJZSA-N 0 0 395.480 3.519 1 0 GHAFRN C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)Cc1ccccn1 ZINC000084730065 211174560 /nfs/dbraw/zinc/17/45/60/211174560.db2.gz VOJCRCXJCNNVLD-NKYSGMRHSA-N 0 0 397.559 3.650 1 0 GHAFRN Cc1nc(NCCO)nc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc12 ZINC000084616201 211171338 /nfs/dbraw/zinc/17/13/38/211171338.db2.gz SQWCBYQDPFCMHQ-RUDMXATFSA-N 0 0 382.851 3.648 1 0 GHAFRN CC(C)c1nccn1Cc1cc(C(=O)N2CCCC[C@H]2c2cccnc2)[nH]n1 ZINC000015075316 211126588 /nfs/dbraw/zinc/12/65/88/211126588.db2.gz MKRARBWRGLPXMY-IBGZPJMESA-N 0 0 378.480 3.540 1 0 GHAFRN COc1ccc(Nc2ncc3c(n2)-c2ccc(C)cc2NC(=O)C3)cc1OC ZINC000073196975 211125899 /nfs/dbraw/zinc/12/58/99/211125899.db2.gz FLIWVEYTAZJTHC-UHFFFAOYSA-N 0 0 376.416 3.707 1 0 GHAFRN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)CC2(C)C)cc1 ZINC000072138417 211074514 /nfs/dbraw/zinc/07/45/14/211074514.db2.gz NQSPFCDXQSLLBF-IBGZPJMESA-N 0 0 382.460 3.722 1 0 GHAFRN COc1cc(NC2=C(c3ccc(Br)cc3)C(=O)OC2)cc(OC)c1 ZINC000072116482 211069234 /nfs/dbraw/zinc/06/92/34/211069234.db2.gz JEHZAJBBTDXOTF-UHFFFAOYSA-N 0 0 390.233 3.846 1 0 GHAFRN CS(=O)(=O)c1ccc(N2CCC(C3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000071341838 211047289 /nfs/dbraw/zinc/04/72/89/211047289.db2.gz DHWMMRYZGBZJHY-UHFFFAOYSA-N 0 0 399.560 3.618 1 0 GHAFRN CN1CCC(c2n[nH]c3ccc(S(=O)(=O)c4cccc(Cl)c4)cc32)CC1 ZINC000071294393 211044019 /nfs/dbraw/zinc/04/40/19/211044019.db2.gz PBVKHJUVAZGVFV-UHFFFAOYSA-N 0 0 389.908 3.858 1 0 GHAFRN CN(C)c1ccc(C(F)(F)F)c(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c1 ZINC000066104079 211001830 /nfs/dbraw/zinc/00/18/30/211001830.db2.gz LEYNTKLXQDXVGJ-UHFFFAOYSA-N 0 0 399.372 3.820 1 0 GHAFRN C/C=C1\C[C@@H]2CC[C@@H]3c4c(cccc4OC)N[C@@H]3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000040393243 210786821 /nfs/dbraw/zinc/78/68/21/210786821.db2.gz PGOBOWWFWXOGHZ-UJXHMZACSA-N 0 0 385.504 3.737 1 0 GHAFRN CSc1nc2c(cnn2/C=C\c2ccccc2)c(N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000028569865 210529636 /nfs/dbraw/zinc/52/96/36/210529636.db2.gz CMNCPSWZKQXFDZ-KZZSIXTMSA-N 0 0 381.505 3.790 1 0 GHAFRN COc1cc(OC)cc(-c2cc3cnc(N)cc3nc2NC(=O)NC(C)(C)C)c1 ZINC000021289462 210379979 /nfs/dbraw/zinc/37/99/79/210379979.db2.gz MCZADMNBTWSHHB-UHFFFAOYSA-N 0 0 395.463 3.816 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3cncc4ccccc43)CC2)c1 ZINC000095568581 136182088 /nfs/dbraw/zinc/18/20/88/136182088.db2.gz QGYYYXLTUXTGML-UHFFFAOYSA-N 0 0 377.517 3.766 1 0 GHAFRN CCCS(=O)(=O)c1ccc2[nH]c([C@H]3CCC(=O)N(c4ccccc4)C3)nc2c1 ZINC000095580639 136182287 /nfs/dbraw/zinc/18/22/87/136182287.db2.gz UKVAFBPSNSRCEM-HNNXBMFYSA-N 0 0 397.500 3.657 1 0 GHAFRN CSc1nc2c(cnn2/C=C\c2ccccc2)c(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000028569864 221679656 /nfs/dbraw/zinc/67/96/56/221679656.db2.gz CMNCPSWZKQXFDZ-MHSLGGLXSA-N 0 0 381.505 3.790 1 0 GHAFRN CCC(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072102398 222205565 /nfs/dbraw/zinc/20/55/65/222205565.db2.gz YJEHPTKSEHMAKX-LJQANCHMSA-N 0 0 392.425 3.575 1 0 GHAFRN COc1ccc(-n2cc(Cc3ccc(O)c(Br)c3)sc2=O)cc1 ZINC000073224564 222269124 /nfs/dbraw/zinc/26/91/24/222269124.db2.gz FGDDYUAQYZVZMX-UHFFFAOYSA-N 0 0 392.274 3.967 1 0 GHAFRN COc1cc2nncc(-c3cnc(NC(C)C)c(C(C)(C)O)c3)c2cc1OC ZINC000073296788 222270042 /nfs/dbraw/zinc/27/00/42/222270042.db2.gz NKRSTRNFGCWDLJ-UHFFFAOYSA-N 0 0 382.464 3.757 1 0 GHAFRN CCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 ZINC000013429541 571701431 /nfs/dbraw/zinc/70/14/31/571701431.db2.gz YVCSPVUIXKMOLW-FZMZJTMJSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 ZINC000014586045 571712939 /nfs/dbraw/zinc/71/29/39/571712939.db2.gz TVYLJAPSHFFCMT-HNNXBMFYSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN CCCCn1c(Sc2nc3cccc(OC)c3s2)nc2c1ncnc2N ZINC000014974478 581095291 /nfs/dbraw/zinc/09/52/91/581095291.db2.gz HIKQBWCXEFMOLH-UHFFFAOYSA-N 0 0 386.506 3.978 1 0 GHAFRN CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1 ZINC000003950136 581096359 /nfs/dbraw/zinc/09/63/59/581096359.db2.gz KBXAGBWPAVTLBI-UHFFFAOYSA-N 0 0 396.520 3.921 1 0 GHAFRN CN1C(=O)[C@@H](NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)Cc2ccccc21 ZINC000013587905 210071370 /nfs/dbraw/zinc/07/13/70/210071370.db2.gz IEKATFIOXMTGEF-INIZCTEOSA-N 0 0 387.361 3.504 1 0 GHAFRN CS(=O)(=O)c1ccc([C@@H](Nc2nccs2)C(=O)c2ccc(F)cc2)cc1 ZINC000013588954 210070834 /nfs/dbraw/zinc/07/08/34/210070834.db2.gz OGZJZJHCRLZWOA-MRXNPFEDSA-N 0 0 390.461 3.722 1 0 GHAFRN CC[C@@H](COC)Nc1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583144 210070231 /nfs/dbraw/zinc/07/02/31/210070231.db2.gz VBTQWXMQOWUBAX-INIZCTEOSA-N 0 0 382.512 3.619 1 0 GHAFRN CC(=O)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)n[nH]c21 ZINC000013531352 210065813 /nfs/dbraw/zinc/06/58/13/210065813.db2.gz LSNKWEWHGABPNH-UHFFFAOYSA-N 0 0 399.259 3.629 1 0 GHAFRN Cn1cnc2c1nc(-c1ccc(F)cc1)nc2N(C(N)=O)c1c(F)cccc1F ZINC000013488576 210063220 /nfs/dbraw/zinc/06/32/20/210063220.db2.gz FYHDCPOXMKSPSZ-UHFFFAOYSA-N 0 0 398.348 3.664 1 0 GHAFRN CC(C)c1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2C)CC1 ZINC000013449333 210060535 /nfs/dbraw/zinc/06/05/35/210060535.db2.gz ARSYJYRZNBRPGH-UHFFFAOYSA-N 0 0 394.563 3.593 1 0 GHAFRN CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000000588566 209249868 /nfs/dbraw/zinc/24/98/68/209249868.db2.gz XPGDSOZXGGQUBM-UHFFFAOYSA-N 0 0 376.865 3.995 1 0 GHAFRN COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H](C(C)C)[C@@H](CO)[C@@H]3[C@@H](CO)C[C@H]21 ZINC000169339602 211635437 /nfs/dbraw/zinc/63/54/37/211635437.db2.gz LSEZDZDSBYJFOM-JDOZTDSCSA-N 0 0 380.569 3.891 1 0 GHAFRN CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2)N2c3ccccc3SC2=N1 ZINC000096932862 211352490 /nfs/dbraw/zinc/35/24/90/211352490.db2.gz ZMNCSXGCFDHNGH-FQEVSTJZSA-N 0 0 391.496 3.842 1 0 GHAFRN COC1CCC2(Cc3ccc(-c4cncnc4)cc3[C@@]23C=C(F)C(=N)N3)CC1 ZINC000096916937 211351435 /nfs/dbraw/zinc/35/14/35/211351435.db2.gz XCPNTAGKJZPLCP-IVXJCAOYSA-N 0 0 378.451 3.904 1 0 GHAFRN Cc1cc(-n2ccc3c(c2=O)C(=O)OC32CCCCC2)n(-c2ccccc2)n1 ZINC000096909504 211350805 /nfs/dbraw/zinc/35/08/05/211350805.db2.gz PLZSCRLFCBEUER-UHFFFAOYSA-N 0 0 375.428 3.661 1 0 GHAFRN CC(=O)C[C@@H]1SC[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000095602057 211282148 /nfs/dbraw/zinc/28/21/48/211282148.db2.gz UAXFRAISEAGWJK-MOPGFXCFSA-N 0 0 375.515 3.779 3 0 GHAFRN O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1Cc1cccs1 ZINC000095602365 211281806 /nfs/dbraw/zinc/28/18/06/211281806.db2.gz TZMQILNHVRICEK-IBGZPJMESA-N 0 0 387.468 3.528 3 0 GHAFRN O=c1ccn(-c2cccc(OC(F)(F)F)c2)nc1-c1ccnn1-c1ccccc1 ZINC000095579643 211278550 /nfs/dbraw/zinc/27/85/50/211278550.db2.gz NAIXHNHQENAMNS-UHFFFAOYSA-N 0 0 398.344 3.984 1 0 in-vitro GHAFRN O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(F)c2F)C1 ZINC000095565543 211278325 /nfs/dbraw/zinc/27/83/25/211278325.db2.gz UWGSFPMNNGWVBP-UHFFFAOYSA-N 0 0 392.768 3.672 1 0 GHAFRN Cc1ccccc1CN1C(=O)c2ccccc2[C@H]1c1nnnn1Cc1ccccc1 ZINC000095570460 211278089 /nfs/dbraw/zinc/27/80/89/211278089.db2.gz ZESNEPKYLBIPGI-QFIPXVFZSA-N 0 0 395.466 3.775 3 0 GHAFRN Cc1c(=O)c2cc(Cl)ccc2[nH]c1-c1ccc(OCCN2CCOCC2)cc1 ZINC000084653412 211173331 /nfs/dbraw/zinc/17/33/31/211173331.db2.gz XHYDRVKYVMAERX-UHFFFAOYSA-N 0 0 398.890 3.868 1 0 GHAFRN NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000084670373 211172810 /nfs/dbraw/zinc/17/28/10/211172810.db2.gz IBEFZIYKUFEEEH-UHFFFAOYSA-N 0 0 383.429 3.580 1 0 GHAFRN O=c1[nH]ccc2c(Cc3nnc4ccc(-c5ccccc5Cl)nn43)cccc12 ZINC000073163075 211124299 /nfs/dbraw/zinc/12/42/99/211124299.db2.gz ZAUOZAAQNJYUSJ-UHFFFAOYSA-N 0 0 387.830 3.877 1 0 GHAFRN CC(C)(O)[C@@H]1Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2O1 ZINC000072175819 211082221 /nfs/dbraw/zinc/08/22/21/211082221.db2.gz WFFULJPEIICVGU-INIZCTEOSA-N 0 0 377.234 3.743 1 0 GHAFRN COc1cc2c(cc1OC)C1=NN(C(N)=S)[C@@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072181894 211081930 /nfs/dbraw/zinc/08/19/30/211081930.db2.gz KJIPNYWGWXZQPF-ACJLOTCBSA-N 0 0 387.892 3.534 1 0 GHAFRN CC(C)CCCc1c2c(ccc1O)C(=O)[C@@]1(O2)C(Cl)=C(Cl)C(=O)N1C ZINC000068199246 211034098 /nfs/dbraw/zinc/03/40/98/211034098.db2.gz WBYVIPGWSMCVAL-SFHVURJKSA-N 0 0 384.259 3.804 1 0 GHAFRN C[C@@]1(c2ccc(C[NH3+])cc2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000059913656 210925310 /nfs/dbraw/zinc/92/53/10/210925310.db2.gz XMRHRTRCZHVVPR-IBGZPJMESA-N 0 0 394.254 3.612 1 0 GHAFRN Nc1nc2c(c(-c3ccccc3)n1)C(=O)c1ccc(NCCc3ccccn3)cc1-2 ZINC000049088368 210860092 /nfs/dbraw/zinc/86/00/92/210860092.db2.gz TYLFOJLVILICJZ-UHFFFAOYSA-N 0 0 393.450 3.987 1 0 GHAFRN CCOC(=O)C[C@H]1c2ccc(-c3ccccc3)cc2OC(N)=C1C(=O)OCC ZINC000043015098 210805627 /nfs/dbraw/zinc/80/56/27/210805627.db2.gz SDCMOSWQMSXREU-KRWDZBQOSA-N 0 0 381.428 3.516 1 0 GHAFRN CN1c2ccc(Cl)cc2C(=O)N[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000040812486 210794420 /nfs/dbraw/zinc/79/44/20/210794420.db2.gz SWCCSBOPPYKDCE-LJQANCHMSA-N 0 0 391.858 3.720 1 0 GHAFRN CC(C)(C)OC(=O)[C@@]1(Cc2ccccc2)CC(=O)N1C(=O)Nc1ccccc1 ZINC000026377352 210496107 /nfs/dbraw/zinc/49/61/07/210496107.db2.gz JXQWYCKHNIWMCQ-JOCHJYFZSA-N 0 0 380.444 3.774 1 0 GHAFRN CC[C@H]1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Cl)cc2)C1=O ZINC000061959807 136156206 /nfs/dbraw/zinc/15/62/06/136156206.db2.gz UTXGNZJIIDYITL-MRXNPFEDSA-N 0 0 385.899 3.858 3 0 GHAFRN CC(=O)c1cc2ncc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2[nH]1 ZINC000072323397 136168231 /nfs/dbraw/zinc/16/82/31/136168231.db2.gz ZFAXTJGXSVRSBU-UHFFFAOYSA-N 0 0 396.878 3.690 2 0 GHAFRN O=c1cc(-c2ccc(-c3ccc(CO)cc3)cc2)sc(N2CCOCC2)c1 ZINC000101492423 136189592 /nfs/dbraw/zinc/18/95/92/136189592.db2.gz SJEMZHDIRZKSCJ-UHFFFAOYSA-N 0 0 379.481 3.771 1 0 GHAFRN CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@@]1(C)Oc2cc(N(C)C)ccc2C1=O ZINC000040423172 221922815 /nfs/dbraw/zinc/92/28/15/221922815.db2.gz XPCFKXPQYNGDRR-HTIUCITRSA-N 0 0 391.471 3.810 1 0 GHAFRN COc1cc([C@@H]2c3ccc(Cl)cc3NC3=COC(=O)C32)cc(OC)c1OC ZINC000040422513 221923566 /nfs/dbraw/zinc/92/35/66/221923566.db2.gz GIDGVGDUAGXEJB-QGZVFWFLSA-N 0 0 387.819 3.734 1 0 GHAFRN Cn1cncc1-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1 ZINC000043020868 581098759 /nfs/dbraw/zinc/09/87/59/581098759.db2.gz YAAQLVDLWFOXTP-UHFFFAOYSA-N 0 0 381.379 3.845 1 0 GHAFRN CC(C)=CCc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C[C@@](C)(OC(C)=O)C3 ZINC000014883301 210129603 /nfs/dbraw/zinc/12/96/03/210129603.db2.gz FLYMKXSUGFPBQY-QFIPXVFZSA-N 0 0 384.428 3.916 1 0 GHAFRN CN1[C@@H](C(=O)NCc2ccccc2)C[C@@H]2Cn3c4cc5ccccc5cc4nc3[C@@H]21 ZINC000013660665 210075232 /nfs/dbraw/zinc/07/52/32/210075232.db2.gz RIIVZUYESJBDPN-UEVCKROQSA-N 0 0 396.494 3.881 1 0 GHAFRN Cn1c(-c2ccc(S(C)(=O)=O)cc2)nc2c1ncnc2Sc1ccccc1 ZINC000013608658 210071940 /nfs/dbraw/zinc/07/19/40/210071940.db2.gz WRRXHZIDXGQBED-UHFFFAOYSA-N 0 0 396.497 3.585 1 0 GHAFRN Cc1ccc(C(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1 ZINC000013601588 210070820 /nfs/dbraw/zinc/07/08/20/210070820.db2.gz PNDAFURARLGVMS-NRFANRHFSA-N 0 0 387.414 3.680 1 0 GHAFRN COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(OC)cc2)cc1 ZINC000013557917 210066986 /nfs/dbraw/zinc/06/69/86/210066986.db2.gz CZQAWABRVRNXCC-UHFFFAOYSA-N 0 0 392.411 3.914 1 0 GHAFRN CCN1C(=O)[C@H](C(=O)N[C@H](C)c2ccccc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 ZINC000013116423 210051688 /nfs/dbraw/zinc/05/16/88/210051688.db2.gz IBJXYVQUQVHMFM-ZMUHBRSJSA-N 0 0 378.472 3.625 1 0 GHAFRN CCCCNC(=O)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000008599997 209789010 /nfs/dbraw/zinc/78/90/10/209789010.db2.gz YABZLLFRFYKJPO-UHFFFAOYSA-N 0 0 380.414 3.781 1 0 GHAFRN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)o1 ZINC000005042559 209561171 /nfs/dbraw/zinc/56/11/71/209561171.db2.gz QIQFEJXKVXDFDD-GJZGRUSLSA-N 0 0 375.490 3.680 3 0 aggregator GHAFRN O=C(c1csnn1)N1CCC2(CN(c3cccc(-c4ccccc4)c3)C2)CC1 ZINC000003956234 209459075 /nfs/dbraw/zinc/45/90/75/209459075.db2.gz OPTBPKRSVKRKJA-UHFFFAOYSA-N 0 0 390.512 3.948 1 0 GHAFRN C[C@@H](NC(=O)C1CCN(c2nc3ccsc3c(=O)s2)CC1)c1ccccc1 ZINC000002687451 209376277 /nfs/dbraw/zinc/37/62/77/209376277.db2.gz DNUXPMGTLGUBAE-CYBMUJFWSA-N 0 0 399.541 3.812 1 0 GHAFRN CCOc1ccc2c(c1)cc(CN(C(=O)CC)C1CCCCC1)c1nnnn12 ZINC000001367248 209322429 /nfs/dbraw/zinc/32/24/29/209322429.db2.gz LKXMTGHWKKUGKA-UHFFFAOYSA-N 0 0 381.480 3.748 3 0 GHAFRN CCOC(=O)[C@@]1(C(C)(C)CC)C[C@@H](CSc2nc3ccccc3[nH]2)OC1=O ZINC000000801944 209266201 /nfs/dbraw/zinc/26/62/01/209266201.db2.gz KWHDETQJPVQORG-RBZFPXEDSA-N 0 0 390.505 3.956 3 0 GHAFRN CC(C)c1ccc(S(=O)(=O)c2c3cc(Cl)ccc3[nH]c2C(N)=O)cc1 ZINC000003654274 209228780 /nfs/dbraw/zinc/22/87/80/209228780.db2.gz RSANKUSJPOICTG-UHFFFAOYSA-N 0 0 376.865 3.876 1 0 GHAFRN C[C@H]1CC[C@@H](NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)CC1 ZINC000101194995 211397149 /nfs/dbraw/zinc/39/71/49/211397149.db2.gz VBFDXISBVLMYKY-RUCARUNLSA-N 0 0 375.472 3.753 1 0 GHAFRN CCCCCc1ccc(-c2cc3cn([C@@H]4C[C@@H](CO)N(C)O4)c(=O)nc3o2)cc1 ZINC000096935175 211353459 /nfs/dbraw/zinc/35/34/59/211353459.db2.gz VBDKZXZAYLEUGF-ICSRJNTNSA-N 0 0 397.475 3.516 1 0 GHAFRN COc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 ZINC000096928683 211352330 /nfs/dbraw/zinc/35/23/30/211352330.db2.gz GOYMYCNFOXQYEE-UHFFFAOYSA-N 0 0 380.231 3.998 1 0 GHAFRN COC(=O)c1oc2cccc(Cl)c2c1NC(=O)CSc1ccccn1 ZINC000096283170 211331330 /nfs/dbraw/zinc/33/13/30/211331330.db2.gz XERHSCVXWJBYHN-UHFFFAOYSA-N 0 0 376.821 3.999 1 0 GHAFRN O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2ccc(F)c(F)c2)C1 ZINC000095566125 211278446 /nfs/dbraw/zinc/27/84/46/211278446.db2.gz WKIAKRVWSFTGNA-UHFFFAOYSA-N 0 0 392.768 3.672 1 0 GHAFRN O=S1(=O)C=Cc2cc(-n3cc(-c4cccc(C(F)(F)F)c4)nn3)ccc2O1 ZINC000095581312 211278457 /nfs/dbraw/zinc/27/84/57/211278457.db2.gz KWCHTJIVCWOEQW-UHFFFAOYSA-N 0 0 393.346 3.646 1 0 GHAFRN C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@@H](c2ccccc2)C1 ZINC000095573476 211279399 /nfs/dbraw/zinc/27/93/99/211279399.db2.gz DXZBQYCXLSGSRO-NVXWUHKLSA-N 0 0 377.492 3.785 1 0 GHAFRN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)NC1CCCCC1 ZINC000095576601 211279380 /nfs/dbraw/zinc/27/93/80/211279380.db2.gz WRMNTMIZEUMXFM-LJQANCHMSA-N 0 0 398.956 3.641 1 0 GHAFRN Cn1cc2c(n1)nc(NC13CC4CC(CC(C4)C1)C3)n1nc(-c3ccco3)nc21 ZINC000095571781 211278338 /nfs/dbraw/zinc/27/83/38/211278338.db2.gz YXQCCLBYMCTKHR-UHFFFAOYSA-N 0 0 389.463 3.652 1 0 GHAFRN CC[C@H]1COc2cccc3c(=O)c(C(=O)NC4C5CC6CC(C5)CC4C6)cn1c23 ZINC000095552752 211276615 /nfs/dbraw/zinc/27/66/15/211276615.db2.gz AUEMKSKNGASOAA-KNVKKHEKSA-N 0 0 392.499 3.900 1 0 GHAFRN COc1ccc(-c2ccc3oc(=O)n(CC(=O)N(C)c4ccccc4)c3c2)cc1 ZINC000084672273 211172740 /nfs/dbraw/zinc/17/27/40/211172740.db2.gz RYVBWMKTLYIKQI-UHFFFAOYSA-N 0 0 388.423 3.933 1 0 GHAFRN O=C1N[C@](c2ccc(Cl)cc2)(C2CC2)C(=O)N1CN1CCc2ccccc2C1 ZINC000072125961 211070859 /nfs/dbraw/zinc/07/08/59/211070859.db2.gz GGMDYTQUPZSKPZ-QFIPXVFZSA-N 0 0 395.890 3.513 1 0 GHAFRN O=C(Nc1cc(-c2ccccc2)on1)C1CCC2(CC1)OC(=O)c1ncccc12 ZINC000045384977 210824864 /nfs/dbraw/zinc/82/48/64/210824864.db2.gz ANXRLCSDKKYMPM-UHFFFAOYSA-N 0 0 389.411 3.931 1 0 GHAFRN COc1ccc(-c2nnsc2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000028820902 210534966 /nfs/dbraw/zinc/53/49/66/210534966.db2.gz CNXIVSFWEHXFMH-UHFFFAOYSA-N 0 0 388.445 3.915 1 0 GHAFRN CCCn1ccc2cc(-c3ccc(N4CCOCC4)nc3)cc(Cl)c2c1=O ZINC000066077730 136164296 /nfs/dbraw/zinc/16/42/96/136164296.db2.gz ACSHXOLSUYKZPQ-UHFFFAOYSA-N 0 0 383.879 3.964 1 0 GHAFRN Cc1c(C)c(N2CCN(Cc3ccc(F)cc3Cl)C(=O)C2=O)ccc1F ZINC000095565241 136182054 /nfs/dbraw/zinc/18/20/54/136182054.db2.gz AZOKLOYDAJODNU-UHFFFAOYSA-N 0 0 378.806 3.610 1 0 GHAFRN CC(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 ZINC000027981093 221663430 /nfs/dbraw/zinc/66/34/30/221663430.db2.gz KJXWSYMXRPCCCZ-GJYIOPSLSA-N 0 0 390.520 3.805 1 0 GHAFRN C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]2[C@@H](OC(=O)C2CC2)C1 ZINC000027981946 221663645 /nfs/dbraw/zinc/66/36/45/221663645.db2.gz DHTCRYGDMZYDPH-COEBRKHJSA-N 0 0 388.504 3.559 1 0 GHAFRN C[C@@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(Cl)cc2)C1=O ZINC000072105401 222205981 /nfs/dbraw/zinc/20/59/81/222205981.db2.gz PEIHUZHAQMEREF-HNNXBMFYSA-N 0 0 396.628 3.719 1 0 GHAFRN O=S1(=O)CCO[C@H]2Cc3ccccc3[C@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000015935334 210179955 /nfs/dbraw/zinc/17/99/55/210179955.db2.gz CMNCHDLAIXQREU-ZWKOTPCHSA-N 0 0 397.418 3.533 3 0 GHAFRN COc1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000014959343 210134669 /nfs/dbraw/zinc/13/46/69/210134669.db2.gz RQZXBHRQFMOWLL-GFCCVEGCSA-N 0 0 384.398 3.834 1 0 GHAFRN COc1cc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc(C(F)(F)F)c1 ZINC000014959339 210134146 /nfs/dbraw/zinc/13/41/46/210134146.db2.gz RQZXBHRQFMOWLL-LBPRGKRZSA-N 0 0 384.398 3.834 1 0 GHAFRN CCNC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl ZINC000013763796 210089709 /nfs/dbraw/zinc/08/97/09/210089709.db2.gz BXEDCNVFSZUBPI-UHFFFAOYSA-N 0 0 377.235 3.722 1 0 GHAFRN CC(C)CCn1cc(C2=NS(=O)(=O)c3ccccc3N2)c(=O)c2ccccc21 ZINC000013680558 210077198 /nfs/dbraw/zinc/07/71/98/210077198.db2.gz SOCXWPWNDGMBSJ-UHFFFAOYSA-N 0 0 395.484 3.609 1 0 GHAFRN O=c1c(Br)cc2cnc(Nc3ccccn3)nc2n1C1CCCC1 ZINC000013641631 210073542 /nfs/dbraw/zinc/07/35/42/210073542.db2.gz JPJBKLUESOYNLD-UHFFFAOYSA-N 0 0 386.253 3.808 1 0 GHAFRN Cc1c2c(cn1Cc1cccc3ccccc31)c(=O)n(C)c(=O)n2CC(C)C ZINC000013603356 210071759 /nfs/dbraw/zinc/07/17/59/210071759.db2.gz LJNZPIKVLMVMOX-UHFFFAOYSA-N 0 0 375.472 3.668 1 0 GHAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccc(Cl)cc1 ZINC000013601563 210070766 /nfs/dbraw/zinc/07/07/66/210070766.db2.gz HEQSEDTWLQNFTP-HXUWFJFHSA-N 0 0 389.842 3.886 1 0 GHAFRN COc1cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)ccc1C ZINC000013525211 210065727 /nfs/dbraw/zinc/06/57/27/210065727.db2.gz PWDIVSKRUYJJTH-UHFFFAOYSA-N 0 0 376.865 3.913 1 0 GHAFRN COc1ccc(-n2c(SCC(C)=O)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000006514503 209652992 /nfs/dbraw/zinc/65/29/92/209652992.db2.gz WGOUULMHEWGKRL-UHFFFAOYSA-N 0 0 386.498 3.626 1 0 GHAFRN COc1cc2c(cc3c(c2-c2ccc4c(c2)OCO4)C(=O)OC3)c(OC)c1OC ZINC000014640942 291133267 /nfs/dbraw/zinc/13/32/67/291133267.db2.gz SSGOVOMGEWHANR-UHFFFAOYSA-N 0 0 394.379 3.932 1 0 biogenic,in-vitro GHAFRN O=C(Nc1cccc(F)c1)N1CCCC2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000003956125 209456499 /nfs/dbraw/zinc/45/64/99/209456499.db2.gz TVIKIZQYYZUQPK-UHFFFAOYSA-N 0 0 385.439 3.969 1 0 GHAFRN CO[C@@H](C(=O)O[C@H]1C=C[C@]2(CC1)c1ccccc1N(C)C2=O)c1ccccc1 ZINC000001654034 209335843 /nfs/dbraw/zinc/33/58/43/209335843.db2.gz COUDXZSBSIFFMV-WGGBDISSSA-N 0 0 377.440 3.550 1 0 GHAFRN COCn1cnc2c1n(-c1ccc(C)cc1)c(=S)n(-c1ccc(C)cc1)c2=O ZINC000001648101 209334945 /nfs/dbraw/zinc/33/49/45/209334945.db2.gz YZJYCHWTOZCYCC-UHFFFAOYSA-N 0 0 392.484 3.928 1 0 GHAFRN COc1cccc2cc(C(=O)N(Cc3cccs3)C[C@H]3CCCO3)c(=O)oc21 ZINC000001342157 209320494 /nfs/dbraw/zinc/32/04/94/209320494.db2.gz PFDZQQDSAJFVLK-OAHLLOKOSA-N 0 0 399.468 3.685 3 0 GHAFRN O=S1(=O)N=C(OCc2ccccc2)c2ccccc2N1Cc1ccccc1 ZINC000000589930 209250544 /nfs/dbraw/zinc/25/05/44/209250544.db2.gz KBVATRXVOGNKMH-UHFFFAOYSA-N 0 0 378.453 3.915 1 0 GHAFRN O=C1NC(=O)C(c2ccc(C(F)(F)F)cc2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000001678253 209229311 /nfs/dbraw/zinc/22/93/11/209229311.db2.gz LLCJUKMTHSPNOY-UHFFFAOYSA-N 0 0 388.267 3.807 1 0 GHAFRN COC(=O)CC(=O)Nc1cc2c(ncnc2Nc2ccc(F)c(Cl)c2)s1 ZINC000169311796 211634716 /nfs/dbraw/zinc/63/47/16/211634716.db2.gz OWNJEKOHKGBOIG-UHFFFAOYSA-N 0 0 394.815 3.729 1 0 GHAFRN CN(C)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1 ZINC000169306673 211634753 /nfs/dbraw/zinc/63/47/53/211634753.db2.gz FBUQPLPRSQLEIG-UHFFFAOYSA-N 0 0 392.484 3.533 1 0 GHAFRN Cc1cc(Cc2c(=O)[nH]c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)ccn1 ZINC000101598400 211401764 /nfs/dbraw/zinc/40/17/64/211401764.db2.gz ACGVXAZOLSDQOO-WGSAOQKQSA-N 0 0 375.472 3.799 1 0 GHAFRN COc1ccc([C@@H]2C=C(c3ccc(O)c(C)c3)NN2C(=O)c2ccncc2)cc1 ZINC000103197739 211422572 /nfs/dbraw/zinc/42/25/72/211422572.db2.gz OLCVUGQCNWGJLS-NRFANRHFSA-N 0 0 387.439 3.847 1 0 GHAFRN CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](CO)N(C)O4)c(=O)nc3o2)cc1 ZINC000096935174 211353710 /nfs/dbraw/zinc/35/37/10/211353710.db2.gz VBDKZXZAYLEUGF-UYAOXDASSA-N 0 0 397.475 3.516 1 0 GHAFRN O=C1c2ccc(F)cc2CC[C@@H]2CC[C@@H](c3noc(-c4ccc(F)cn4)n3)CN12 ZINC000096933579 211352220 /nfs/dbraw/zinc/35/22/20/211352220.db2.gz RCIZJQNDILNYGI-CZUORRHYSA-N 0 0 396.397 3.744 1 0 GHAFRN COc1cc(Br)cc([C@@H]2Nc3c(c(C)nn3C)C(=O)CS2)c1 ZINC000096908937 211350821 /nfs/dbraw/zinc/35/08/21/211350821.db2.gz VJKXDMWRHJRMLE-OAHLLOKOSA-N 0 0 382.283 3.540 1 0 GHAFRN CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc21 ZINC000095605852 211282948 /nfs/dbraw/zinc/28/29/48/211282948.db2.gz XCVNKDBFHMYYDO-CYBMUJFWSA-N 0 0 389.550 3.780 1 0 GHAFRN O=C(O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCCCN1C2=O)N1CCC(c2ccccc2)CC1 ZINC000095568624 211278113 /nfs/dbraw/zinc/27/81/13/211278113.db2.gz MORCQQHPUGUOSQ-NCYKPQTJSA-N 0 0 382.504 3.792 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(-n4cccn4)cc3)c2)cc1 ZINC000084712004 211174388 /nfs/dbraw/zinc/17/43/88/211174388.db2.gz XDLRIGFEAQZOOK-UHFFFAOYSA-N 0 0 390.468 3.587 1 0 GHAFRN C[C@@H](NC(=O)Nc1cccc(Nc2ncc3c(N)[nH]nc3n2)c1)c1ccccc1 ZINC000084732129 211173986 /nfs/dbraw/zinc/17/39/86/211173986.db2.gz BUVVCBTZYXTSHY-GFCCVEGCSA-N 0 0 388.435 3.561 1 0 GHAFRN COc1ccc2nccc([C@H](c3nnnn3C(C)(C)C)N3CCCCC3)c2c1 ZINC000084671800 211172681 /nfs/dbraw/zinc/17/26/81/211172681.db2.gz OKVBRNZRFUMIDQ-LJQANCHMSA-N 0 0 380.496 3.560 1 0 GHAFRN COc1ccc(CCNC(=O)c2cn(C(C)(C)C)c3ncccc23)cc1OC ZINC000072322939 211090150 /nfs/dbraw/zinc/09/01/50/211090150.db2.gz DFWLXFKTEMHROX-UHFFFAOYSA-N 0 0 381.476 3.781 2 0 GHAFRN CON(C)C(=O)c1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 ZINC000072185937 211082922 /nfs/dbraw/zinc/08/29/22/211082922.db2.gz ZDBYUWXTRGVDKY-OAQYLSRUSA-N 0 0 382.847 3.653 1 0 GHAFRN CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(C)cc1 ZINC000072134828 211072939 /nfs/dbraw/zinc/07/29/39/211072939.db2.gz IRIYKRHURSPSPD-VSKRKVRLSA-N 0 0 396.535 3.920 1 0 GHAFRN Cn1cncc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 ZINC000072109777 211068931 /nfs/dbraw/zinc/06/89/31/211068931.db2.gz UCLBURIPKVSCLH-UHFFFAOYSA-N 0 0 391.381 3.605 1 0 GHAFRN O=C1CCC(c2ccccc2)=NN1C1N=NC(=S)N1c1ccc(Cl)cc1 ZINC000066098673 211000868 /nfs/dbraw/zinc/00/08/68/211000868.db2.gz PDMFYGBZFQWZQF-UHFFFAOYSA-N 0 0 383.864 3.741 1 0 GHAFRN COc1cccc(CN2CC[C@]2(C)C(=O)Nc2cnc3ccccc3c2)c1F ZINC000061908683 210932312 /nfs/dbraw/zinc/93/23/12/210932312.db2.gz KBBGQNMBSVLXPM-JOCHJYFZSA-N 0 0 379.435 3.986 3 0 GHAFRN Cc1cccnc1C1=NO[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061904781 210930125 /nfs/dbraw/zinc/93/01/25/210930125.db2.gz VTYGSBLEFGWGQF-HXUWFJFHSA-N 0 0 389.430 3.861 3 0 GHAFRN Nc1nc2c(ncn2Cc2ccc(C(F)(F)F)c(F)c2)c(-c2ccco2)n1 ZINC000028524982 210528379 /nfs/dbraw/zinc/52/83/79/210528379.db2.gz JUPMBGSOWZPMSX-UHFFFAOYSA-N 0 0 377.301 3.875 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3cc4ccccc4cn3)CC2)c1 ZINC000095568842 136182132 /nfs/dbraw/zinc/18/21/32/136182132.db2.gz PLEHOFPBCLFYAH-UHFFFAOYSA-N 0 0 377.517 3.766 1 0 GHAFRN CCC(=O)N1N=C(c2ccc(N3CCOCC3)cc2)C[C@H]1c1ccccc1OC ZINC000103203352 136190979 /nfs/dbraw/zinc/19/09/79/136190979.db2.gz XTBGFBSVXBIPFM-NRFANRHFSA-N 0 0 393.487 3.620 1 0 GHAFRN Fc1ccc(CN2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000015779237 210168854 /nfs/dbraw/zinc/16/88/54/210168854.db2.gz VOCQHBKZXDCDKQ-UHFFFAOYSA-N 0 0 392.434 3.689 1 0 GHAFRN CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccc(OC)cc1)CCCC3 ZINC000013837582 210094137 /nfs/dbraw/zinc/09/41/37/210094137.db2.gz NJPVUJVNAWTZJX-IBGZPJMESA-N 0 0 394.471 3.913 1 0 GHAFRN CC(C)n1cnc2c1nc(N1CCC[C@@H]1CO)nc2Nc1cccc(Cl)c1 ZINC000013834634 210093380 /nfs/dbraw/zinc/09/33/80/210093380.db2.gz QOYOZUYEXLCNGI-OAHLLOKOSA-N 0 0 386.887 3.765 1 0 GHAFRN COc1ccc(OC)c(Cc2cc(O)c3c(c2)Cc2cccc(O)c2C3=O)c1 ZINC000013736889 210085940 /nfs/dbraw/zinc/08/59/40/210085940.db2.gz FETXHEWTZKEYQS-UHFFFAOYSA-N 0 0 376.408 3.841 1 0 GHAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1c[nH]c2ccccc12 ZINC000013601742 210071765 /nfs/dbraw/zinc/07/17/65/210071765.db2.gz DRKCUHAYMQLCBR-JOCHJYFZSA-N 0 0 394.434 3.714 1 0 GHAFRN CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccccn1 ZINC000013559109 210066756 /nfs/dbraw/zinc/06/67/56/210066756.db2.gz LZGVSGZSGLFWNJ-HNNXBMFYSA-N 0 0 377.485 3.555 1 0 GHAFRN COc1ccc(C2=NN(Cc3ccc(O)cc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000013474106 210063115 /nfs/dbraw/zinc/06/31/15/210063115.db2.gz XWLNXPBGFLZPDR-RBUKOAKNSA-N 0 0 394.471 3.962 1 0 GHAFRN COc1ccc(C(=O)c2c3ccccc3n3c2[C@@H](N2CCOCC2)CC3)cc1 ZINC000013447491 210061977 /nfs/dbraw/zinc/06/19/77/210061977.db2.gz JOBXDAPUJLLRDQ-FQEVSTJZSA-N 0 0 376.456 3.658 1 0 GHAFRN CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000012869292 210020577 /nfs/dbraw/zinc/02/05/77/210020577.db2.gz KUUPNKANNSHVRM-NRFANRHFSA-N 0 0 394.540 3.854 3 0 GHAFRN COc1ccccc1NC(=O)COC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000012599686 209983767 /nfs/dbraw/zinc/98/37/67/209983767.db2.gz QWMZKHKTCYUSJS-LWYUSKRHSA-N 0 0 377.868 3.755 1 0 GHAFRN Cc1oc(-c2cccc(C)c2)nc1C[S@](=O)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000005057914 209563983 /nfs/dbraw/zinc/56/39/83/209563983.db2.gz JJFLGASVUXWXAR-IHULAWBXSA-N 0 0 388.533 3.712 1 0 GHAFRN CCOC(=O)N1CCC(NC(=O)c2cc3c(o2)c2ccccc2nc3C)CC1 ZINC000004902322 209542346 /nfs/dbraw/zinc/54/23/46/209542346.db2.gz HALJFHTXBFOFAW-UHFFFAOYSA-N 0 0 381.432 3.640 3 0 GHAFRN COc1cccc(Cn2c(=O)c(-c3cccc(Cl)c3)nc3cncnc32)c1 ZINC000004238337 209473651 /nfs/dbraw/zinc/47/36/51/209473651.db2.gz FHFJRLNJBUONNS-UHFFFAOYSA-N 0 0 378.819 3.564 1 0 GHAFRN CCOc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1OC ZINC000002915501 209397298 /nfs/dbraw/zinc/39/72/98/209397298.db2.gz WQCZCXOQHDLQLB-CVEARBPZSA-N 0 0 385.855 3.880 1 0 GHAFRN Cc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)o1 ZINC000002455945 209365499 /nfs/dbraw/zinc/36/54/99/209365499.db2.gz XYOCBBUSHRPTJM-RTBURBONSA-N 0 0 380.469 3.876 1 0 GHAFRN Cc1nc2ccc(Br)cc2c(=O)n1-c1nnc(C(C)(C)C)s1 ZINC000001638777 209335875 /nfs/dbraw/zinc/33/58/75/209335875.db2.gz XRCGVSDQZHEWQM-UHFFFAOYSA-N 0 0 379.283 3.606 1 0 GHAFRN O=C(Nc1cccc(Br)c1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000001491953 209330194 /nfs/dbraw/zinc/33/01/94/209330194.db2.gz KPIUSQVXLDOKOG-UHFFFAOYSA-N 0 0 393.632 3.927 1 0 GHAFRN CCOC(=O)[C@]1(C(C)(C)CC)C[C@@H](CSc2nc3ccccc3[nH]2)OC1=O ZINC000000801943 209266815 /nfs/dbraw/zinc/26/68/15/209266815.db2.gz KWHDETQJPVQORG-RNODOKPDSA-N 0 0 390.505 3.956 3 0 GHAFRN Clc1ccc(-c2noc(CN(Cc3ccccn3)C[C@H]3CCCO3)n2)cc1 ZINC000055153858 212059359 /nfs/dbraw/zinc/05/93/59/212059359.db2.gz QWYYCQRNCDZZPS-GOSISDBHSA-N 0 0 384.867 3.966 3 0 GHAFRN O=C(Nc1c(F)cccc1F)C1c2nc3c(ccc(F)c3F)n2CCC1=O ZINC000100018512 211382813 /nfs/dbraw/zinc/38/28/13/211382813.db2.gz DDUWZLQQBYRHEM-UHFFFAOYSA-N 0 0 377.297 3.904 1 0 GHAFRN Cc1cc2nc(-c3cscn3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C ZINC000098208038 211379857 /nfs/dbraw/zinc/37/98/57/211379857.db2.gz LTVJIDPPWFXVJV-UHFFFAOYSA-N 0 0 387.472 3.873 1 0 in-vitro GHAFRN O=C1c2ccc(F)cc2CC[C@H]2CC[C@@H](c3noc(-c4ccc(F)cn4)n3)CN12 ZINC000096933580 211353006 /nfs/dbraw/zinc/35/30/06/211353006.db2.gz RCIZJQNDILNYGI-CJNGLKHVSA-N 0 0 396.397 3.744 1 0 GHAFRN COc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)cc1 ZINC000096928102 211353070 /nfs/dbraw/zinc/35/30/70/211353070.db2.gz AHSWVUNPOCKACG-UHFFFAOYSA-N 0 0 397.862 3.674 1 0 GHAFRN C[C@H](NC(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cccnc1 ZINC000096271374 211327798 /nfs/dbraw/zinc/32/77/98/211327798.db2.gz OKZNTGUCODTXJS-HNNXBMFYSA-N 0 0 381.457 3.797 1 0 GHAFRN Cc1csc2c1nc(N[C@@H](C)c1ncc(F)cn1)nc2Nc1cn(C)cn1 ZINC000095921166 211284478 /nfs/dbraw/zinc/28/44/78/211284478.db2.gz DVWTWOHVDUVPJV-JTQLQIEISA-N 0 0 384.444 3.579 1 0 in-vitro GHAFRN CCCOC(=O)N[C@@H](CCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095591275 211280918 /nfs/dbraw/zinc/28/09/18/211280918.db2.gz UBSYYAJQQBGXEF-RISCZKNCSA-N 0 0 381.473 3.918 1 0 GHAFRN COc1cc(Sc2c3ccccc3[nH]c2-n2cncn2)cc(OC)c1OC ZINC000095593530 211279828 /nfs/dbraw/zinc/27/98/28/211279828.db2.gz UHSZRFLAZMNXCF-UHFFFAOYSA-N 0 0 382.445 3.926 1 0 GHAFRN Cc1c(C2=NC(=S)N[C@H](c3ccc(Cl)cc3)C2)nnn1Cc1ccccc1 ZINC000095579460 211279019 /nfs/dbraw/zinc/27/90/19/211279019.db2.gz FAOMCSYRLUGDCD-KRWDZBQOSA-N 0 0 395.919 3.848 1 0 GHAFRN Cc1ccnc(NC(=S)N[C@@H]2CCN(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000095569481 211278882 /nfs/dbraw/zinc/27/88/82/211278882.db2.gz WAUNGLHJPGJLRU-CQSZACIVSA-N 0 0 380.439 3.974 1 0 GHAFRN CC(C)(C)OC(=O)N1CCc2c(sc3ncn(-c4ccccc4)c(=O)c23)C1 ZINC000084688522 211174512 /nfs/dbraw/zinc/17/45/12/211174512.db2.gz RYZTZMZLOIJWMF-UHFFFAOYSA-N 0 0 383.473 3.740 1 0 GHAFRN COc1ccc(/C=C(/Cc2cc(OC)c(OC)c(OC)c2)[N+](=O)[O-])cc1F ZINC000084713333 211174248 /nfs/dbraw/zinc/17/42/48/211174248.db2.gz CKPDEDGQYKJJJC-AUWJEWJLSA-N 0 0 377.368 3.720 1 0 GHAFRN NC(=O)c1cc(Cl)ccc1NC(=O)/C=C/c1ccccc1Br ZINC000072170800 211079427 /nfs/dbraw/zinc/07/94/27/211079427.db2.gz NICPKSBYNAWKOE-VMPITWQZSA-N 0 0 379.641 3.853 1 0 GHAFRN CS(=O)(=O)Nc1ccc2c(c1)[C@@H](O)c1cc(-c3ccccc3)cnc1C=C2 ZINC000072110874 211069734 /nfs/dbraw/zinc/06/97/34/211069734.db2.gz WXKUPXNRORPGDD-OAQYLSRUSA-N 0 0 378.453 3.686 1 0 GHAFRN COc1cc([C@H]2c3ccc4[nH]ccc4c3NC3=COC(=O)C32)cc(OC)c1OC ZINC000071281251 211041918 /nfs/dbraw/zinc/04/19/18/211041918.db2.gz YGICIKUJEGOCLD-SFHVURJKSA-N 0 0 392.411 3.562 1 0 GHAFRN COc1ccc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccc2c(c1)OCO2 ZINC000066139452 211001804 /nfs/dbraw/zinc/00/18/04/211001804.db2.gz RWBMPSYRVBHBBP-AWEZNQCLSA-N 0 0 379.416 3.625 1 0 GHAFRN C=COC[C@@H]1CN2[C@@H](CC[C@H](C)[C@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000064581864 210941697 /nfs/dbraw/zinc/94/16/97/210941697.db2.gz SPKPHTNWIHVLNS-STECZYCISA-N 0 0 380.282 3.676 1 0 GHAFRN O=C1CCCN1[C@H]1Cc2ccc(-n3cc(C4CC4)c(C(F)(F)F)n3)cc2C1 ZINC000064453496 210940010 /nfs/dbraw/zinc/94/00/10/210940010.db2.gz XEZWBZRAXRULMC-INIZCTEOSA-N 0 0 375.394 3.858 1 0 GHAFRN COc1cc(Nc2ncc3ccn(-c4ccc(C)cn4)c3n2)cc(OC)c1OC ZINC000040564036 210787893 /nfs/dbraw/zinc/78/78/93/210787893.db2.gz NVWUGYSBVNNVAP-UHFFFAOYSA-N 0 0 391.431 3.893 1 0 GHAFRN C[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c1nnc2N1CCOCC1 ZINC000039247019 210762548 /nfs/dbraw/zinc/76/25/48/210762548.db2.gz MEYCNNIMDYLHMV-CQSZACIVSA-N 0 0 393.878 3.669 1 0 GHAFRN Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2NCC(F)(F)F)c(F)c1 ZINC000038345888 210754551 /nfs/dbraw/zinc/75/45/51/210754551.db2.gz FEOXAMHBHGUNHP-UHFFFAOYSA-N 0 0 381.667 3.836 1 0 GHAFRN COC(=O)CO[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000035064398 210675587 /nfs/dbraw/zinc/67/55/87/210675587.db2.gz GSVNLBVXINDLKO-DEOSSOPVSA-N 0 0 387.435 3.733 1 0 GHAFRN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccccc3OC)c2)C1 ZINC000033264087 210634406 /nfs/dbraw/zinc/63/44/06/210634406.db2.gz GZIPVXHCFVJTMF-HXUWFJFHSA-N 0 0 395.503 3.534 1 0 GHAFRN CS(=O)(=O)Nc1ccc(-c2cc(C(F)F)nn2-c2cccc(F)c2)cc1 ZINC000029411761 210546387 /nfs/dbraw/zinc/54/63/87/210546387.db2.gz PTWHOEHSDGNDHS-UHFFFAOYSA-N 0 0 381.379 3.988 1 0 GHAFRN CCCSC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(Br)cc32)N1 ZINC000029306567 210544138 /nfs/dbraw/zinc/54/41/38/210544138.db2.gz VZEAGUQHPRYIGT-MRXNPFEDSA-N 0 0 383.311 3.835 1 0 GHAFRN COC(=O)c1cccc2c1cc1n(c2=O)Cc2c-1nc1ccc(OC)cc1c2C ZINC000029126315 210542843 /nfs/dbraw/zinc/54/28/43/210542843.db2.gz HOLCSJHECCMVDX-UHFFFAOYSA-N 0 0 386.407 3.682 1 0 GHAFRN COc1ccc(-c2nc(CN3CCC[C@H]3c3nonc3C)c(C)o2)c(OC)c1 ZINC000020600753 210350927 /nfs/dbraw/zinc/35/09/27/210350927.db2.gz ZASKTIKWKVWNKP-KRWDZBQOSA-N 0 0 384.436 3.696 1 0 GHAFRN O=C([C@@H]1COc2ccccc2O1)N1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000020452006 210335350 /nfs/dbraw/zinc/33/53/50/210335350.db2.gz QQMOWOKJRFXVPA-IBGZPJMESA-N 0 0 396.830 3.720 1 0 GHAFRN O=C(c1ccc(Cl)cn1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000072178034 136167396 /nfs/dbraw/zinc/16/73/96/136167396.db2.gz KZOPIPCHIZYESA-UHFFFAOYSA-N 0 0 387.270 3.899 1 0 GHAFRN Cc1ccc2nc(N3CCCCC3)c3nnc(NC(=O)c4ccccc4)n3c2c1 ZINC000103206988 136190997 /nfs/dbraw/zinc/19/09/97/136190997.db2.gz FIWBQRFEEXFFDW-UHFFFAOYSA-N 0 0 386.459 3.829 1 0 GHAFRN CC(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000027981088 221663277 /nfs/dbraw/zinc/66/32/77/221663277.db2.gz KJXWSYMXRPCCCZ-YUDIKBHMSA-N 0 0 390.520 3.805 1 0 GHAFRN CCOc1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000029132372 581098202 /nfs/dbraw/zinc/09/82/02/581098202.db2.gz HEVAVDXWJNLGMB-UHFFFAOYSA-N 0 0 389.502 3.619 1 0 GHAFRN COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC ZINC000016051981 210183234 /nfs/dbraw/zinc/18/32/34/210183234.db2.gz YENZSPIOXMNEFF-UHFFFAOYSA-N 0 0 377.404 3.585 1 0 in-vivo GHAFRN Cc1ccn2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1 ZINC000013861591 210095777 /nfs/dbraw/zinc/09/57/77/210095777.db2.gz CRVCUFCXEZQYLM-UHFFFAOYSA-N 0 0 381.432 3.914 1 0 GHAFRN Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H](C3=O)[C@H]3C=C[C@@H]4[C@H]4C[C@H]43)c2)c1 ZINC000013845634 210093730 /nfs/dbraw/zinc/09/37/30/210093730.db2.gz PRLYJWJHXKEZHV-OBHIHTNZSA-N 0 0 398.462 3.805 1 0 GHAFRN c1ccc(-c2nnc3c4c(c(OCc5cnccn5)nn23)C2CCC4CC2)cc1 ZINC000013610287 210072784 /nfs/dbraw/zinc/07/27/84/210072784.db2.gz PCRRXYJDKILUID-UHFFFAOYSA-N 0 0 384.443 3.915 1 0 GHAFRN CCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c(=O)onc21 ZINC000013641940 210073415 /nfs/dbraw/zinc/07/34/15/210073415.db2.gz KBTDHXVXWVDYPU-HNNXBMFYSA-N 0 0 383.267 3.792 1 0 GHAFRN CN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 ZINC000013579991 210069713 /nfs/dbraw/zinc/06/97/13/210069713.db2.gz DXOCPYRBUKEWDH-HNNXBMFYSA-N 0 0 391.240 3.849 1 0 GHAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccc(Cl)c1 ZINC000013601595 210070099 /nfs/dbraw/zinc/07/00/99/210070099.db2.gz HMFQHRNXSQVRSA-HXUWFJFHSA-N 0 0 389.842 3.886 1 0 GHAFRN COc1ccc(-c2cc(-c3nc(C)ns3)c(=O)n(C)c2-c2ccncc2)cc1 ZINC000013473215 210062827 /nfs/dbraw/zinc/06/28/27/210062827.db2.gz ZQXPBEXLBMEQCY-UHFFFAOYSA-N 0 0 390.468 3.950 1 0 GHAFRN CCOC(=O)C1=C(COc2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000013125916 210052316 /nfs/dbraw/zinc/05/23/16/210052316.db2.gz BBDZVBFXSFOJBZ-SFHVURJKSA-N 0 0 386.835 3.590 3 0 GHAFRN COc1cccc(OC[C@@H](O)CNC(=O)c2oc3c(ccc(C)c3C)c2C)c1 ZINC000012507332 209965433 /nfs/dbraw/zinc/96/54/33/209965433.db2.gz IONMVFMJDIABHT-INIZCTEOSA-N 0 0 383.444 3.536 3 0 GHAFRN COc1ccc(C(=O)C2=NS(=O)(=O)c3cc(C)c(Cl)cc3S2)cc1 ZINC000006522193 209653153 /nfs/dbraw/zinc/65/31/53/209653153.db2.gz QXRMJKXJDJZAIA-UHFFFAOYSA-N 0 0 381.862 3.733 1 0 GHAFRN COc1cc(O)c2c(c1)OC[C@H](c1cc(CC=C(C)C)c(O)cc1OC)C2=O ZINC000014762871 291132847 /nfs/dbraw/zinc/13/28/47/291132847.db2.gz RGXQEROHDTYEQG-MRXNPFEDSA-N 0 0 384.428 3.983 1 0 biogenic,in-vitro GHAFRN CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1 ZINC000003819148 209454917 /nfs/dbraw/zinc/45/49/17/209454917.db2.gz AQIOJZLQOCMJRZ-UHFFFAOYSA-N 0 0 399.454 3.680 1 0 GHAFRN CC[C@@H](C)n1c(=O)c2sccc2nc1SCc1cc(=O)n2ccccc2n1 ZINC000002925295 209398949 /nfs/dbraw/zinc/39/89/49/209398949.db2.gz RJVLHEDRVOJKOG-GFCCVEGCSA-N 0 0 398.513 3.729 1 0 GHAFRN CC[C@@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1 ZINC000001381345 209323691 /nfs/dbraw/zinc/32/36/91/209323691.db2.gz BYVGVYCVFJGXSL-MRVPVSSYSA-N 0 0 379.290 3.763 3 0 GHAFRN O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(C(F)(F)F)ccc1O ZINC000000839814 209271032 /nfs/dbraw/zinc/27/10/32/209271032.db2.gz OHAHFRKJFGRKKC-AWEZNQCLSA-N 0 0 377.240 3.618 1 0 GHAFRN COc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000000580098 209250177 /nfs/dbraw/zinc/25/01/77/209250177.db2.gz FAMBILOAAJNGJY-UHFFFAOYSA-N 0 0 387.461 3.676 1 0 GHAFRN COc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)cc1 ZINC000100705190 211389023 /nfs/dbraw/zinc/38/90/23/211389023.db2.gz DIMIFROYTOIINJ-UHFFFAOYSA-N 0 0 394.456 3.518 1 0 GHAFRN CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)C3CC3)cc21 ZINC000096273854 211327784 /nfs/dbraw/zinc/32/77/84/211327784.db2.gz ADRQRUHQDUYTFF-UHFFFAOYSA-N 0 0 391.427 3.558 1 0 GHAFRN O=C(n1nnc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095576152 211278730 /nfs/dbraw/zinc/27/87/30/211278730.db2.gz XOZPAZLUHXWSDR-UHFFFAOYSA-N 0 0 397.482 3.807 1 0 GHAFRN CN1C(=N)N[C@@]2(CC(C)(C)Sc3ccc(-c4cncc(Cl)c4)cc32)C1=O ZINC000095601808 211282793 /nfs/dbraw/zinc/28/27/93/211282793.db2.gz CAPHIWIAVKZGOU-LJQANCHMSA-N 0 0 386.908 3.658 1 0 GHAFRN CC(C)C[C@@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc21 ZINC000095604130 211282436 /nfs/dbraw/zinc/28/24/36/211282436.db2.gz XCVNKDBFHMYYDO-ZDUSSCGKSA-N 0 0 389.550 3.780 1 0 GHAFRN CC(C)n1nc(Cn2c(=O)c3ccccc3n2CCCCO)c2ccccc21 ZINC000095591415 211281132 /nfs/dbraw/zinc/28/11/32/211281132.db2.gz UHMGOYCQKWQCNT-UHFFFAOYSA-N 0 0 378.476 3.554 1 0 GHAFRN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000095572906 211277940 /nfs/dbraw/zinc/27/79/40/211277940.db2.gz KSPBYVNPXUIKTK-NRFANRHFSA-N 0 0 382.479 3.986 1 0 GHAFRN CC(C)Oc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2 ZINC000095560697 211277085 /nfs/dbraw/zinc/27/70/85/211277085.db2.gz SEYWRCHLSDFZEU-UHFFFAOYSA-N 0 0 389.459 3.916 1 0 GHAFRN CON(C)C(=O)c1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 ZINC000072185936 211083746 /nfs/dbraw/zinc/08/37/46/211083746.db2.gz ZDBYUWXTRGVDKY-NRFANRHFSA-N 0 0 382.847 3.653 1 0 GHAFRN Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000072175864 211082016 /nfs/dbraw/zinc/08/20/16/211082016.db2.gz XPCPEMOBOVRMDQ-OXJNMPFZSA-N 0 0 397.906 3.852 1 0 GHAFRN Clc1ccc2c(c1)-n1c(nnc1C1CCN(c3ccccn3)CC1)COC2 ZINC000072123510 211070743 /nfs/dbraw/zinc/07/07/43/211070743.db2.gz XBTIZEVGBVKGFT-UHFFFAOYSA-N 0 0 381.867 3.730 1 0 GHAFRN CC1(C)[C@@H]2CC[C@]3(C)Oc4c5c(cc(O)c4C[C@@H]3[C@@]2(C)CC[C@@H]1O)C(=O)OC5 ZINC000071319003 211045975 /nfs/dbraw/zinc/04/59/75/211045975.db2.gz WHXNYSBXVSPILE-FKQDBXSBSA-N 0 0 386.488 3.970 1 0 GHAFRN O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc[nH]2)C1 ZINC000068248069 211033656 /nfs/dbraw/zinc/03/36/56/211033656.db2.gz IECXTJJMOJIIRI-UHFFFAOYSA-N 0 0 395.772 3.601 1 0 GHAFRN O=C(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1 ZINC000066112240 211002785 /nfs/dbraw/zinc/00/27/85/211002785.db2.gz PGXLUSOTMSRODM-UHFFFAOYSA-N 0 0 377.410 3.935 1 0 in-vitro GHAFRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC[C@H](C)C(=O)S2 ZINC000066251695 211002290 /nfs/dbraw/zinc/00/22/90/211002290.db2.gz QQPUIQWGLWVKFA-LBPRGKRZSA-N 0 0 376.503 3.730 1 0 GHAFRN COc1ccc2ncnc(NC[C@H]3CCCO3)c2c1-c1ccc2c(c1)OCO2 ZINC000066139455 211002079 /nfs/dbraw/zinc/00/20/79/211002079.db2.gz RWBMPSYRVBHBBP-CQSZACIVSA-N 0 0 379.416 3.625 1 0 GHAFRN O=C1OCC2=C1[C@@H](c1cccc(OC(F)(F)F)c1)c1cc3c(cc1O2)OCO3 ZINC000040897669 210797857 /nfs/dbraw/zinc/79/78/57/210797857.db2.gz APSSZRKGESGPQL-INIZCTEOSA-N 0 0 392.285 3.649 1 0 GHAFRN O=C(c1ccccc1)c1c(=O)n(CCO)nc(-c2ccccc2)c1-c1ccccc1 ZINC000029204660 210542525 /nfs/dbraw/zinc/54/25/25/210542525.db2.gz NRJACOKWWZYHNK-UHFFFAOYSA-N 0 0 396.446 3.801 1 0 GHAFRN CCOc1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2cc(Cl)cnn2)c1Cl ZINC000027415956 210514529 /nfs/dbraw/zinc/51/45/29/210514529.db2.gz FHEMHONHOPZATF-GXSJLCMTSA-N 0 0 385.226 3.999 1 0 GHAFRN Cc1cccc(C)c1-c1nnc(NC(=O)c2ccc3c(c2)OCCN3C)s1 ZINC000043071725 132415442 /nfs/dbraw/zinc/41/54/42/132415442.db2.gz POSZLJRPLBOPFO-UHFFFAOYSA-N 0 0 380.473 3.903 1 0 GHAFRN Cc1ccc2oc(=O)cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2c1 ZINC000049538465 132438293 /nfs/dbraw/zinc/43/82/93/132438293.db2.gz QBADXKPLGNJJQJ-UHFFFAOYSA-N 0 0 382.847 3.717 1 0 GHAFRN c1cnn2c(c1)nc(-c1ccc(N3CCOCC3)cc1)c2NC1CCCCC1 ZINC000073296476 136171477 /nfs/dbraw/zinc/17/14/77/136171477.db2.gz TXBZSAMCQWEJGR-UHFFFAOYSA-N 0 0 377.492 3.978 1 0 GHAFRN CCOC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000103245428 136191012 /nfs/dbraw/zinc/19/10/12/136191012.db2.gz IBGLMZFKJJXWHS-MDWZMJQESA-N 0 0 379.460 3.617 1 0 GHAFRN CC1(C)COC(c2cccc([C@@](O)(c3ccc(Cl)cc3)c3cncnc3)c2)=N1 ZINC000072101022 222205804 /nfs/dbraw/zinc/20/58/04/222205804.db2.gz VZZTXVUJUPVXMJ-QFIPXVFZSA-N 0 0 393.874 3.970 1 0 GHAFRN NC(=O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3nccs3)[nH]2)cc1 ZINC000073294174 222269757 /nfs/dbraw/zinc/26/97/57/222269757.db2.gz KPLOBSYPRROJOR-UHFFFAOYSA-N 0 0 390.424 3.695 1 0 GHAFRN CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH]nc(N)c3c2)c(Cl)c1 ZINC000040935569 581095345 /nfs/dbraw/zinc/09/53/45/581095345.db2.gz VSMZYLYGAGOBGV-UHFFFAOYSA-N 0 0 378.885 3.542 1 0 GHAFRN COc1ccc(OC)c(NC(=O)CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1 ZINC000004373732 885502510 /nfs/dbraw/zinc/50/25/10/885502510.db2.gz JAQAMLXIHKIVIG-UHFFFAOYSA-N 0 0 396.487 3.546 3 0 GHAFRN Cc1nc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c(C)n1 ZINC000013861639 210096435 /nfs/dbraw/zinc/09/64/35/210096435.db2.gz DZDXOHHNYBBQIF-UHFFFAOYSA-N 0 0 396.447 3.618 1 0 GHAFRN Cc1nc2cnccc2n1CC1CCN(C(=O)N[C@H](C)c2ccc(N)cc2)CC1 ZINC000013863951 210096148 /nfs/dbraw/zinc/09/61/48/210096148.db2.gz DCFGDDUGWWLHPG-OAHLLOKOSA-N 0 0 392.507 3.505 1 0 GHAFRN CC(C)(C)OC(=O)c1ncn2c1[C@H]1CCCN1C(=O)c1c(Cl)c(F)ccc1-2 ZINC000013828251 210093324 /nfs/dbraw/zinc/09/33/24/210093324.db2.gz CFMUMMDHHQXEOU-GFCCVEGCSA-N 0 0 391.830 3.911 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000013803948 210091693 /nfs/dbraw/zinc/09/16/93/210091693.db2.gz GSLFTGUVNZMGIF-UHFFFAOYSA-N 0 0 383.347 3.520 1 0 GHAFRN CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccc(N)c2)cc1 ZINC000013762114 210089409 /nfs/dbraw/zinc/08/94/09/210089409.db2.gz AJXDBFONDYHZFC-UHFFFAOYSA-N 0 0 381.379 3.544 1 0 GHAFRN COc1ccc(Cc2cc(O)c3c(c2)Cc2cccc(O)c2C3=O)c(OC)c1 ZINC000013736887 210086321 /nfs/dbraw/zinc/08/63/21/210086321.db2.gz JFOZKSWZIFCIDV-UHFFFAOYSA-N 0 0 376.408 3.841 1 0 GHAFRN O=C(c1noc2c1CCCC2)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000013593565 210071125 /nfs/dbraw/zinc/07/11/25/210071125.db2.gz ZOJRQWYGLKOLQK-UHFFFAOYSA-N 0 0 388.895 3.664 3 0 GHAFRN Cc1cccc(Cl)c1Nc1nc2ccc(N3CCOCC3)nc2n2cncc12 ZINC000013582041 210068798 /nfs/dbraw/zinc/06/87/98/210068798.db2.gz DJXLBUYCYJCWHY-UHFFFAOYSA-N 0 0 394.866 3.820 1 0 GHAFRN CC(=O)N1CC/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1(=O)=O ZINC000013558278 210066382 /nfs/dbraw/zinc/06/63/82/210066382.db2.gz JWRGLKUGYYXYSQ-XNTDXEJSSA-N 0 0 379.522 3.910 1 0 GHAFRN CC(=O)O[C@H]1CC[C@H]2[C@@]3(C)[C@H](C[C@@H](C)[C@@]2(C)CC(=O)c2ccoc2)OC(=O)[C@H]13 ZINC000095910184 291131070 /nfs/dbraw/zinc/13/10/70/291131070.db2.gz GWUYEMRBBQPDLU-YMEUMDOPSA-N 0 0 388.460 3.788 1 0 biogenic,in-vitro GHAFRN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000001094115 209299286 /nfs/dbraw/zinc/29/92/86/209299286.db2.gz INVNRAVTMAIQQG-INIZCTEOSA-N 0 0 387.233 3.875 1 0 GHAFRN CC(=O)Oc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@@]21CC(C)(C)NC(=O)N1 ZINC000001025394 209289746 /nfs/dbraw/zinc/28/97/46/209289746.db2.gz ABIBKWLLMGTQIY-DENIHFKCSA-N 0 0 380.444 3.813 3 0 GHAFRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H](C)[C@]2(O)CCC2=CCOC2=O)C1(C)C ZINC000096932724 211353040 /nfs/dbraw/zinc/35/30/40/211353040.db2.gz LEEPSVTWQNEWST-NDOLZWLNSA-N 0 0 378.509 3.785 1 0 GHAFRN C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cccnc1 ZINC000096271375 211328638 /nfs/dbraw/zinc/32/86/38/211328638.db2.gz OKZNTGUCODTXJS-OAHLLOKOSA-N 0 0 381.457 3.797 1 0 GHAFRN CN1C(=N)N[C@@]2(CC1=O)CC(C)(C)Cc1ccc(-c3cncc(Cl)c3)cc12 ZINC000095603627 211282888 /nfs/dbraw/zinc/28/28/88/211282888.db2.gz DYJMRYUXJYQJSH-NRFANRHFSA-N 0 0 382.895 3.747 1 0 GHAFRN CC(C)(C)NC(=O)[C@@H](C1CC1)n1c2ccccc2nc(-c2ccccc2)c1=O ZINC000095599004 211282342 /nfs/dbraw/zinc/28/23/42/211282342.db2.gz RLILIUYBRHOZNJ-HXUWFJFHSA-N 0 0 375.472 3.929 3 0 GHAFRN COc1ccc(CN(C(=O)Nc2ccccc2)[C@H](CC(C)C)C(N)=O)cc1F ZINC000095553229 211277224 /nfs/dbraw/zinc/27/72/24/211277224.db2.gz QOFUQJVSGZOJNG-GOSISDBHSA-N 0 0 387.455 3.768 1 0 GHAFRN CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC4C5CC6CC(C5)CC4C6)cn1c23 ZINC000095552751 211277117 /nfs/dbraw/zinc/27/71/17/211277117.db2.gz AUEMKSKNGASOAA-HTAIJMGFSA-N 0 0 392.499 3.900 1 0 GHAFRN CN1C(=N)N[C@@](c2nccs2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O ZINC000084601994 211171647 /nfs/dbraw/zinc/17/16/47/211171647.db2.gz FGZNPKRHPSRWAL-LJQANCHMSA-N 0 0 382.876 3.703 1 0 GHAFRN C[C@@H]1Cc2c(c3c(nc2-c2ccccc2)CCN(C(=O)c2cccnc2)C3)CO1 ZINC000072141038 211074316 /nfs/dbraw/zinc/07/43/16/211074316.db2.gz KOARQDHWOPPMBA-MRXNPFEDSA-N 0 0 385.467 3.803 1 0 GHAFRN COC(=O)/C=C1\CC[C@@H]2[C@@H](C(=O)C[C@H]3[C@](C)(C(=O)OC)CCC[C@]23C)[C@@H]1C ZINC000034172165 210655632 /nfs/dbraw/zinc/65/56/32/210655632.db2.gz UMKMKHVTQXNBRV-KVMMLMHTSA-N 0 0 376.493 3.707 1 0 GHAFRN CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 ZINC000020108168 210315454 /nfs/dbraw/zinc/31/54/54/210315454.db2.gz GOSMRADXJZODCA-OAQYLSRUSA-N 0 0 382.460 3.551 1 0 GHAFRN Clc1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)c(Cl)c1 ZINC000072184118 136167500 /nfs/dbraw/zinc/16/75/00/136167500.db2.gz CPQOPINYGJRKAK-UHFFFAOYSA-N 0 0 390.274 3.761 1 0 GHAFRN COc1ccnc(NC(=S)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1 ZINC000095568859 136182115 /nfs/dbraw/zinc/18/21/15/136182115.db2.gz XMQHEIYRGLMQAH-UHFFFAOYSA-N 0 0 397.331 3.916 1 0 GHAFRN CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CCO)c(=O)c12 ZINC000073222575 222268546 /nfs/dbraw/zinc/26/85/46/222268546.db2.gz UECGDSNIIGNOQG-UHFFFAOYSA-N 0 0 383.492 3.684 1 0 GHAFRN CCC(C)(C)C(=O)C(=O)N1[C@@H](C(=O)OCCCCc2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000027216552 581097902 /nfs/dbraw/zinc/09/79/02/581097902.db2.gz FPVPWXNISWCTPJ-HSALFYBXSA-N 0 0 399.531 3.937 1 0 GHAFRN COC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000018033582 210211391 /nfs/dbraw/zinc/21/13/91/210211391.db2.gz RYKQZYMIVZAOOK-HXUWFJFHSA-N 0 0 398.434 3.542 3 0 GHAFRN Cc1nn(-c2ccc(Cl)cc2)c(-n2cccc2)c1C(=O)NN1CCCCC1 ZINC000014975666 210138570 /nfs/dbraw/zinc/13/85/70/210138570.db2.gz CVSFQMUELAWQBC-UHFFFAOYSA-N 0 0 383.883 3.756 1 0 in-vitro GHAFRN O=c1[nH]c(NCC2CCCCC2)nc2ccc(I)cc21 ZINC000013863546 210094995 /nfs/dbraw/zinc/09/49/95/210094995.db2.gz CJVYVDACGUYCST-UHFFFAOYSA-N 0 0 383.233 3.520 1 0 GHAFRN O=C(Nc1cccc(Cl)c1)Nc1nc2nncc-2c2nc(-c3ccco3)[nH]n21 ZINC000013835601 210093407 /nfs/dbraw/zinc/09/34/07/210093407.db2.gz CSGAYPUTEQNSDK-UHFFFAOYSA-N 0 0 394.782 3.558 1 0 GHAFRN Cc1ccc2nc(Nc3ccccc3I)oc(=O)c2c1 ZINC000013779198 210090000 /nfs/dbraw/zinc/09/00/00/210090000.db2.gz JYFKKMLWVGLSMK-UHFFFAOYSA-N 0 0 378.169 3.845 1 0 GHAFRN COC(=O)[C@@H](NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc21)c1ccccc1 ZINC000013762368 210089568 /nfs/dbraw/zinc/08/95/68/210089568.db2.gz PKIJUVYMTMPTHR-NRFANRHFSA-N 0 0 385.423 3.874 1 0 GHAFRN O=[S@](Cc1ccccc1-n1cccc1)c1nc2c(n1-c1ccccn1)CCC2 ZINC000013746326 210087872 /nfs/dbraw/zinc/08/78/72/210087872.db2.gz QKZRPUNTAALDNQ-NDEPHWFRSA-N 0 0 388.496 3.855 1 0 GHAFRN COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(C)ccc32)cc1 ZINC000013742507 210087441 /nfs/dbraw/zinc/08/74/41/210087441.db2.gz ZZZYPDPSUIAZGL-UHFFFAOYSA-N 0 0 392.499 3.830 1 0 GHAFRN O=C1[C@H](c2ccccc2)N(c2ccc(O)cc2)C(=S)N1c1ccc(O)cc1 ZINC000013680185 210078011 /nfs/dbraw/zinc/07/80/11/210078011.db2.gz KSBHTCBWYXIRND-IBGZPJMESA-N 0 0 376.437 3.977 1 0 GHAFRN COc1cccc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)o2)c1 ZINC000013571211 210069410 /nfs/dbraw/zinc/06/94/10/210069410.db2.gz ZHBVFPUKGVDGFD-UHFFFAOYSA-N 0 0 395.440 3.791 3 0 GHAFRN CSc1nc2ccccn2c(=N)c1S(=O)(=O)c1ccc2ccccc2c1 ZINC000013528561 210064278 /nfs/dbraw/zinc/06/42/78/210064278.db2.gz ABACOHMKABNQSM-UHFFFAOYSA-N 0 0 381.482 3.522 1 0 GHAFRN CN(C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1)C(=O)C(F)(F)F ZINC000013436885 210060706 /nfs/dbraw/zinc/06/07/06/210060706.db2.gz DQAMCNMFLLPWQR-MAUKXSAKSA-N 0 0 376.378 3.863 1 0 GHAFRN O=C1c2ccccc2N(O)[C@@]1(c1ccccc1)[C@@H]1CCCC=C1N1CCOCC1 ZINC000005843313 209618336 /nfs/dbraw/zinc/61/83/36/209618336.db2.gz DTQWPAJNCXFQHJ-YKSBVNFPSA-N 0 0 390.483 3.990 1 0 GHAFRN COc1ccccc1-c1cnn(CC(=O)Nc2c(-c3ccccc3)cnn2C)c1 ZINC000023506007 209176065 /nfs/dbraw/zinc/17/60/65/209176065.db2.gz CEGPKBXKCINBMZ-UHFFFAOYSA-N 0 0 387.443 3.598 1 0 GHAFRN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000013096542 211697854 /nfs/dbraw/zinc/69/78/54/211697854.db2.gz UEDGYRWZHYEHNC-YJUYQMCSSA-N 0 0 399.535 3.518 1 0 GHAFRN Cn1c(O)c2nc3ccccc3c-2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000100616856 211387861 /nfs/dbraw/zinc/38/78/61/211387861.db2.gz DYUULZSMCPUNHJ-UHFFFAOYSA-N 0 0 382.420 3.649 1 0 GHAFRN O=C(Nc1c(F)cccc1F)C1c2nc3c(cc(F)cc3F)n2CCC1=O ZINC000100018410 211381432 /nfs/dbraw/zinc/38/14/32/211381432.db2.gz LWASUNKNGBEZRI-UHFFFAOYSA-N 0 0 377.297 3.904 1 0 GHAFRN CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2)N2c3ccccc3SC2=N1 ZINC000096932863 211353080 /nfs/dbraw/zinc/35/30/80/211353080.db2.gz ZMNCSXGCFDHNGH-HXUWFJFHSA-N 0 0 391.496 3.842 1 0 GHAFRN CC[C@@H](C)NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000096927465 211352552 /nfs/dbraw/zinc/35/25/52/211352552.db2.gz DWQMKGWYYGXMGT-QVKFZJNVSA-N 0 0 393.487 3.808 1 0 GHAFRN Cc1ccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1Cl ZINC000096283183 211331834 /nfs/dbraw/zinc/33/18/34/211331834.db2.gz FEGDABVRKQZXDI-UHFFFAOYSA-N 0 0 381.885 3.851 1 0 GHAFRN O=C(Nc1ccnc(NC(=O)[C@H]2CCCO2)c1)c1c(Cl)cccc1Cl ZINC000096282850 211329330 /nfs/dbraw/zinc/32/93/30/211329330.db2.gz HIAACCFYGXUDKS-CYBMUJFWSA-N 0 0 380.231 3.758 1 0 GHAFRN CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3ncc[nH]3)ccc1-2 ZINC000096269661 211328925 /nfs/dbraw/zinc/32/89/25/211328925.db2.gz DYIDODGTFZZZOS-UHFFFAOYSA-N 0 0 378.461 3.975 1 0 GHAFRN CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@H]([C@@H](C)CC)N2 ZINC000095607750 211282695 /nfs/dbraw/zinc/28/26/95/211282695.db2.gz FSKPIJZBGOJNEI-YUNLEDQISA-N 0 0 399.539 3.573 1 0 GHAFRN COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)N=C(C(C)C)C(=N)N2)cc1 ZINC000095575145 211279368 /nfs/dbraw/zinc/27/93/68/211279368.db2.gz SFBOKXSMKXLXQE-QHCPKHFHSA-N 0 0 385.471 3.821 1 0 GHAFRN C=Cn1cccc1C(=O)N1CCC[C@@H](n2cnc3sc(C)c(CC)c3c2=O)C1 ZINC000084730605 211174798 /nfs/dbraw/zinc/17/47/98/211174798.db2.gz XIXRMZSSZMPHSW-OAHLLOKOSA-N 0 0 396.516 3.708 1 0 GHAFRN Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(c1)nnc2C(C)(C)N(C)C ZINC000084732971 211174353 /nfs/dbraw/zinc/17/43/53/211174353.db2.gz UEPHCZUDCIWXFU-UHFFFAOYSA-N 0 0 395.482 3.533 1 0 GHAFRN O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)COC2=O ZINC000082158193 211164477 /nfs/dbraw/zinc/16/44/77/211164477.db2.gz YFSCAVRLXMWDHT-UHFFFAOYSA-N 0 0 394.168 3.606 1 0 GHAFRN COc1ccc(C(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1 ZINC000072175570 211081653 /nfs/dbraw/zinc/08/16/53/211081653.db2.gz GHRWOADELOFPFE-UHFFFAOYSA-N 0 0 389.201 3.804 1 0 GHAFRN COc1c(C)cc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(=N)N2)cc1C ZINC000068248221 211033301 /nfs/dbraw/zinc/03/33/01/211033301.db2.gz PZSMDBYYYKPYFV-QHCPKHFHSA-N 0 0 385.471 3.802 1 0 in-vitro GHAFRN O=c1cc(Nc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)[nH]c(=S)[nH]1 ZINC000066259935 211001597 /nfs/dbraw/zinc/00/15/97/211001597.db2.gz DWJLTLNKOUPJJS-UHFFFAOYSA-N 0 0 397.847 3.529 1 0 GHAFRN O=C(Nc1ccccc1)c1cc([C@H]2CCCN(C(=O)c3ccccc3)C2)on1 ZINC000061905093 210930705 /nfs/dbraw/zinc/93/07/05/210930705.db2.gz IGNVVUIZGPRSKB-KRWDZBQOSA-N 0 0 375.428 3.947 3 0 GHAFRN O=S(=O)(c1ccc(Cl)cc1)N1Cc2c[nH]nc2C[C@H]1c1cccc(F)c1 ZINC000049072145 210859168 /nfs/dbraw/zinc/85/91/68/210859168.db2.gz XTZSDCZTLBPUEP-SFHVURJKSA-N 0 0 391.855 3.691 1 0 GHAFRN COc1cc2oc3ccccc3c2cc1N(C)Cc1coc2nc(N)nc(N)c12 ZINC000045358506 210824107 /nfs/dbraw/zinc/82/41/07/210824107.db2.gz XTLWZHTXRMQKHM-UHFFFAOYSA-N 0 0 389.415 3.932 1 0 GHAFRN COC(=O)c1ccc(Oc2ccc(OC)cc2)c(I)c1 ZINC000028957244 210538199 /nfs/dbraw/zinc/53/81/99/210538199.db2.gz OJIKPEXTEILJFN-UHFFFAOYSA-N 0 0 384.169 3.879 1 0 GHAFRN CNC(=O)OC1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000027205401 210511649 /nfs/dbraw/zinc/51/16/49/210511649.db2.gz AMTQWGHFTCTGIQ-UHFFFAOYSA-N 0 0 381.263 3.775 1 0 GHAFRN Cn1nc2c(c1-c1ccccc1)C(N1CCN(C)CC1)=Nc1cc(F)ccc1N2 ZINC000026573922 210501701 /nfs/dbraw/zinc/50/17/01/210501701.db2.gz WRBPSBMXXGKKNA-UHFFFAOYSA-N 0 0 390.466 3.609 1 0 GHAFRN CS(=O)(=O)Nc1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(CO)c1-2 ZINC000026187960 210492357 /nfs/dbraw/zinc/49/23/57/210492357.db2.gz MSOUZOJIURTKJU-OAQYLSRUSA-N 0 0 381.453 3.699 1 0 GHAFRN CC1=C(C(=O)Nc2ccccc2C(=O)N[C@@H](C)Cc2ccco2)SCCO1 ZINC000020919650 210368129 /nfs/dbraw/zinc/36/81/29/210368129.db2.gz WKNMFRVBZZWVEN-ZDUSSCGKSA-N 0 0 386.473 3.574 1 0 GHAFRN Cc1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(-c3cccnc3)cn12 ZINC000064548833 136157004 /nfs/dbraw/zinc/15/70/04/136157004.db2.gz LBRCWQJHXCIDHV-UHFFFAOYSA-N 0 0 386.459 3.680 1 0 GHAFRN Cc1cncc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000095567714 136182069 /nfs/dbraw/zinc/18/20/69/136182069.db2.gz DWNRJQSNTHKJOE-UHFFFAOYSA-N 0 0 380.439 3.928 1 0 GHAFRN Cc1cccc(C)c1N1CCN(Cc2ccc(F)cc2C(F)(F)F)C(=O)C1=O ZINC000095565668 136182076 /nfs/dbraw/zinc/18/20/76/136182076.db2.gz UALCUNJRPNVITN-UHFFFAOYSA-N 0 0 394.368 3.837 1 0 GHAFRN Cn1cc(-c2ccc(N3CCC(N4CCc5ccc(Cl)cc54)CC3)nn2)cn1 ZINC000103242984 136191041 /nfs/dbraw/zinc/19/10/41/136191041.db2.gz LEAVZPPMJMEDAV-UHFFFAOYSA-N 0 0 394.910 3.562 1 0 GHAFRN O=C([O-])c1cc(Oc2cccc(CC[NH2+]C[C@H](O)c3cccnc3)c2)ccc1F ZINC000040421880 221923475 /nfs/dbraw/zinc/92/34/75/221923475.db2.gz YCOKEYJAJQFCRF-NRFANRHFSA-N 0 0 396.418 3.577 1 0 GHAFRN Cc1ccc(NS(=O)(=O)c2cc3c(cc2N2CCCC2)NC(=O)CC3)cc1C ZINC000073223381 222268745 /nfs/dbraw/zinc/26/87/45/222268745.db2.gz ZMERFADMZRTONY-UHFFFAOYSA-N 0 0 399.516 3.589 1 0 GHAFRN CCCNC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccccc3)ccc1N(C)[C@@H]2CO ZINC000095877864 535086082 /nfs/dbraw/zinc/08/60/82/535086082.db2.gz AOAUAUAMGGUWLN-STZQEDGTSA-N 0 0 379.504 3.647 1 0 GHAFRN O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000040952819 581091097 /nfs/dbraw/zinc/09/10/97/581091097.db2.gz SWEAYHBSAXRXDZ-MOPGFXCFSA-N 0 0 376.456 3.752 1 0 in-vitro GHAFRN CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccccc1OC)CCCC3 ZINC000013837597 210093758 /nfs/dbraw/zinc/09/37/58/210093758.db2.gz IJVLAVGYKXWNCB-IBGZPJMESA-N 0 0 394.471 3.913 1 0 GHAFRN NC(=O)N(O)CC1=Cc2cc(OCc3ccc(C(F)(F)F)cc3)ccc2OC1 ZINC000013833864 210093330 /nfs/dbraw/zinc/09/33/30/210093330.db2.gz IGMADJRUJCQGKS-UHFFFAOYSA-N 0 0 394.349 3.830 1 0 GHAFRN COc1cc(O)c([C@@H](CC(=O)N2CCCC2)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000013661306 210076119 /nfs/dbraw/zinc/07/61/19/210076119.db2.gz KUECYYATSJOCRT-IBGZPJMESA-N 0 0 398.503 3.620 3 0 GHAFRN CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNC(=O)Cc1ccccc1 ZINC000013590026 210070417 /nfs/dbraw/zinc/07/04/17/210070417.db2.gz JSDNLWLQPBCUBL-XXBNENTESA-N 0 0 395.572 3.805 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2cnc(Br)n2-c2ccc(F)cc2)cc1 ZINC000013525106 210065755 /nfs/dbraw/zinc/06/57/55/210065755.db2.gz POLQBDHDUMYFFH-UHFFFAOYSA-N 0 0 395.253 3.844 1 0 GHAFRN Cc1ocnc1C(=O)N1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1 ZINC000011997812 209896941 /nfs/dbraw/zinc/89/69/41/209896941.db2.gz CEVJHQPDUDPQRO-UHFFFAOYSA-N 0 0 379.416 3.734 1 0 GHAFRN Nc1ccc(S(=O)(=O)n2ccc([C@@H](O)c3ccc(Cl)cc3Cl)c2)cc1 ZINC000005933358 209623185 /nfs/dbraw/zinc/62/31/85/209623185.db2.gz IOXARIZJUMAVQO-QGZVFWFLSA-N 0 0 397.283 3.696 1 0 GHAFRN CCN1c2ncc(COc3cccnc3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000005841433 209617903 /nfs/dbraw/zinc/61/79/03/209617903.db2.gz VMLPTJUPIGUEIY-UHFFFAOYSA-N 0 0 395.850 3.852 1 0 GHAFRN CC(=O)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(C=COC1)O2 ZINC000095914524 291131073 /nfs/dbraw/zinc/13/10/73/291131073.db2.gz DKPXPVKRZLLOSM-CNFLGBHRSA-N 0 0 376.493 3.946 1 0 biogenic,in-vitro GHAFRN COc1ccc2c(c1OC)[C@H](CO)N(C)c1c-2ccc2cc3c(cc21)OCO3 ZINC000005140904 291133295 /nfs/dbraw/zinc/13/32/95/291133295.db2.gz GKBDCSXIKLSKMH-INIZCTEOSA-N 0 0 379.412 3.736 1 0 biogenic,in-vitro GHAFRN O=c1c(O)c(-c2ccc(O)cc2)oc2cc([O-])cc(OCc3cccc(O)c3)c12 ZINC000085569519 291134614 /nfs/dbraw/zinc/13/46/14/291134614.db2.gz CLSJRFXYTOUZCO-UHFFFAOYSA-N 0 0 392.363 3.861 1 0 biogenic,in-vitro GHAFRN Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc4nc(C)c(C)nc4c3)C2)n1 ZINC000004388465 209484733 /nfs/dbraw/zinc/48/47/33/209484733.db2.gz QZWYSLSRYCGNFM-QGZVFWFLSA-N 0 0 390.491 3.509 3 0 GHAFRN CC(C)(C)[C@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)Nc3ccc(Br)cc32)C1 ZINC000004111731 209466258 /nfs/dbraw/zinc/46/62/58/209466258.db2.gz FHGLCWPLBZKNII-OGJWQKAUSA-N 0 0 380.282 3.620 1 0 GHAFRN COc1ccc2nc(NC(=O)Cn3c(=O)oc4cc(Cl)ccc43)sc2c1 ZINC000002927583 209398074 /nfs/dbraw/zinc/39/80/74/209398074.db2.gz SOLVVPZGFOWSSC-UHFFFAOYSA-N 0 0 389.820 3.505 1 0 GHAFRN O=C(NC1CCCC1)C1(N(C(=O)c2cnccn2)c2ccccc2)CCCCC1 ZINC000002457464 209364774 /nfs/dbraw/zinc/36/47/74/209364774.db2.gz OSOVNEPEXHWWBN-UHFFFAOYSA-N 0 0 392.503 3.885 3 0 GHAFRN COc1cc([C@H]2COc3cc(O)c(CC=C(C)C)cc3C2=O)c(OC)cc1O ZINC000003652955 209228402 /nfs/dbraw/zinc/22/84/02/209228402.db2.gz PJPGKXVYTQIUKG-MRXNPFEDSA-N 0 0 384.428 3.983 1 0 GHAFRN Nc1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)cc1C(F)(F)F ZINC000096284281 211331145 /nfs/dbraw/zinc/33/11/45/211331145.db2.gz SVSZTXXQQAHXPL-UHFFFAOYSA-N 0 0 380.355 3.845 1 0 GHAFRN N=C1N[C@@](c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccc(F)c21 ZINC000095578171 211278106 /nfs/dbraw/zinc/27/81/06/211278106.db2.gz JTYGZAPMRYLRCN-QHCPKHFHSA-N 0 0 381.414 3.689 1 0 GHAFRN O=C1C(c2ccccc2)=C(c2ccc(Br)cc2)C[C@H]2C[C@@H](O)CN12 ZINC000084632311 211172350 /nfs/dbraw/zinc/17/23/50/211172350.db2.gz MHSNIEVEJXDUBK-IAGOWNOFSA-N 0 0 384.273 3.725 1 0 GHAFRN CCCCNC(=O)[C@@H](NC(=O)c1cccc2ccccc21)C(=O)c1ccccc1 ZINC000072140858 211074134 /nfs/dbraw/zinc/07/41/34/211074134.db2.gz YXHBPIQUGNPKAA-NRFANRHFSA-N 0 0 388.467 3.737 3 0 GHAFRN COc1ccc(C(=O)N2c3ccccc3S(=O)(=O)c3ccc(OC)cc32)cc1 ZINC000072110084 211070377 /nfs/dbraw/zinc/07/03/77/211070377.db2.gz VSHCNJJZKLEALQ-UHFFFAOYSA-N 0 0 395.436 3.829 1 0 GHAFRN CCCN(CCC)c1nc2c(c(-c3ccc(OC)cc3OC)cn2C)c(=O)n1C ZINC000071317367 211045110 /nfs/dbraw/zinc/04/51/10/211045110.db2.gz IBDZRSYGHGNGFP-UHFFFAOYSA-N 0 0 398.507 3.583 1 0 GHAFRN COc1c(C)cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(C)C(=N)N2)cc1C ZINC000068248212 211032464 /nfs/dbraw/zinc/03/24/64/211032464.db2.gz PZSMDBYYYKPYFV-HSZRJFAPSA-N 0 0 385.471 3.802 1 0 GHAFRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC[C@@H](C)C(=O)S2 ZINC000066251696 211001562 /nfs/dbraw/zinc/00/15/62/211001562.db2.gz QQPUIQWGLWVKFA-GFCCVEGCSA-N 0 0 376.503 3.730 1 0 GHAFRN C[C@](O)(c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1cccc(F)c1 ZINC000061896027 210930356 /nfs/dbraw/zinc/93/03/56/210930356.db2.gz ZLAVWILMFCKTBE-GOSISDBHSA-N 0 0 377.462 3.609 3 0 GHAFRN CCCNC(=O)[C@]1(C)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000061902720 210929899 /nfs/dbraw/zinc/92/98/99/210929899.db2.gz CMTXFGXJULQAKX-HXUWFJFHSA-N 0 0 376.928 3.917 3 0 GHAFRN Brc1ccc2c(c1)-c1ncnn1Cc1c(-c3cccs3)ncn1-2 ZINC000049014137 210858227 /nfs/dbraw/zinc/85/82/27/210858227.db2.gz HLLKHMKQKCBMLQ-UHFFFAOYSA-N 0 0 384.262 3.984 1 0 GHAFRN COc1ccc(CCCN2C=CC=C3C2=Nc2ccccc2OS3(=O)=O)cc1 ZINC000040861672 210797026 /nfs/dbraw/zinc/79/70/26/210797026.db2.gz HUILJAPTTXXKNW-UHFFFAOYSA-N 0 0 396.468 3.793 1 0 GHAFRN Nc1cc(O)cc(Cn2nc(-c3ccc(Cl)c(Cl)c3)oc2=O)c1Cl ZINC000040764347 210794512 /nfs/dbraw/zinc/79/45/12/210794512.db2.gz QTXVRCBRHDVQMI-UHFFFAOYSA-N 0 0 386.622 3.800 1 0 GHAFRN Cc1ccc(-c2nc(CN3CCNC(=O)[C@@H]3Cc3ccccc3)c(C)o2)s1 ZINC000039479109 210764649 /nfs/dbraw/zinc/76/46/49/210764649.db2.gz PJALWWGSDABMMZ-SFHVURJKSA-N 0 0 381.501 3.563 1 0 GHAFRN COc1cc(Nc2ncc3ccn(-c4nccs4)c3n2)cc(OC)c1OC ZINC000036348607 210720830 /nfs/dbraw/zinc/72/08/30/210720830.db2.gz RVVJFIMJUNHUTB-UHFFFAOYSA-N 0 0 383.433 3.646 1 0 GHAFRN O=C1[C@H](Cc2c[nH]c3ccccc23)N(C/C=C/c2ccccc2)C(=O)[C@@H]2CCCN12 ZINC000029320144 210543700 /nfs/dbraw/zinc/54/37/00/210543700.db2.gz JNBFWFOJVGPWBP-MHYZXTHDSA-N 0 0 399.494 3.626 1 0 GHAFRN O=c1[nH]c(=O)c(Cc2ccc(Cl)cc2)c(N2CCC(c3ccccc3)CC2)[nH]1 ZINC000028708010 210532119 /nfs/dbraw/zinc/53/21/19/210532119.db2.gz AABLNHSZFIPOBJ-UHFFFAOYSA-N 0 0 395.890 3.691 1 0 GHAFRN C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000026404233 210496011 /nfs/dbraw/zinc/49/60/11/210496011.db2.gz GVWYAYWIPCSTGC-OMYPQRQMSA-N 0 0 380.532 3.961 1 0 GHAFRN CO[C@@H]1CC=C2NN(c3cc(F)cc(Cl)c3)C(=O)C[C@]2(c2ccccc2)O1 ZINC000066259161 136164400 /nfs/dbraw/zinc/16/44/00/136164400.db2.gz DNDRYEAAZXFPER-VQTJNVASSA-N 0 0 388.826 3.893 1 0 GHAFRN O=c1nc2ccccc2c2[nH]c(CN3CCN(c4ccccc4Cl)CC3)cn21 ZINC000100807417 136189371 /nfs/dbraw/zinc/18/93/71/136189371.db2.gz KCVHAIFLJARPKW-UHFFFAOYSA-N 0 0 393.878 3.564 1 0 GHAFRN CC1(C)C[C@@](CCNc2ccc(S(N)(=O)=O)cc2)(c2ccccc2)CCO1 ZINC000072107583 222205953 /nfs/dbraw/zinc/20/59/53/222205953.db2.gz ZTSQNKNSRJRIFN-NRFANRHFSA-N 0 0 388.533 3.663 1 0 GHAFRN Fc1ccccc1CN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1 ZINC000015779221 210169824 /nfs/dbraw/zinc/16/98/24/210169824.db2.gz HFWDWMYQYZNANE-UHFFFAOYSA-N 0 0 392.434 3.689 1 0 GHAFRN CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccccc1OC)CCC3 ZINC000013837590 210094476 /nfs/dbraw/zinc/09/44/76/210094476.db2.gz HFZKPMATXQMMMA-GOSISDBHSA-N 0 0 380.444 3.523 1 0 GHAFRN CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccc(OC)c1)CCC3 ZINC000013837606 210093488 /nfs/dbraw/zinc/09/34/88/210093488.db2.gz CELUBGDHQLHVFE-SFHVURJKSA-N 0 0 380.444 3.523 1 0 GHAFRN CCCC[C@@H](CCCCCNC(=O)c1cc2cc(C(N)=[NH2+])ccc2[nH]1)C(=O)[O-] ZINC000013764936 210090459 /nfs/dbraw/zinc/09/04/59/210090459.db2.gz NGWSBTNKGKYNCT-AWEZNQCLSA-N 0 0 386.496 3.633 1 0 GHAFRN COC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000013762452 210089535 /nfs/dbraw/zinc/08/95/35/210089535.db2.gz ZIHOANCIIYPINV-FQEVSTJZSA-N 0 0 397.434 3.941 1 0 GHAFRN CCN(CC)c1ccccc1C[S@](=O)c1nc2c(n1-c1cccnc1)CCC2 ZINC000013746338 210087572 /nfs/dbraw/zinc/08/75/72/210087572.db2.gz ZBKNEWUUKUILRS-MUUNZHRXSA-N 0 0 394.544 3.910 1 0 GHAFRN CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccc(C(F)(F)F)cn1 ZINC000013746141 210087434 /nfs/dbraw/zinc/08/74/34/210087434.db2.gz GNYTVLMHRKNRII-MHZLTWQESA-N 0 0 394.422 3.660 1 0 GHAFRN CCN(CC)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 ZINC000013745283 210088534 /nfs/dbraw/zinc/08/85/34/210088534.db2.gz NABOYWKNYWCRRS-UHFFFAOYSA-N 0 0 378.436 3.582 1 0 GHAFRN O=c1[nH]c2ccc(CCN3CCN(c4nsc5ccccc54)CC3)cc2s1 ZINC000013745236 210088685 /nfs/dbraw/zinc/08/86/85/210088685.db2.gz YNDNMVPWTKFLHF-UHFFFAOYSA-N 0 0 396.541 3.564 1 0 GHAFRN Cc1ccc(C(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1 ZINC000013601590 210070567 /nfs/dbraw/zinc/07/05/67/210070567.db2.gz PNDAFURARLGVMS-OAQYLSRUSA-N 0 0 387.414 3.680 1 0 GHAFRN C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000013587285 210070157 /nfs/dbraw/zinc/07/01/57/210070157.db2.gz GVDLHPVXXPZQOF-LLVKDONJSA-N 0 0 375.350 3.818 1 0 GHAFRN CCCCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1 ZINC000013580965 210068245 /nfs/dbraw/zinc/06/82/45/210068245.db2.gz ONWXFLCOAQGPAL-GOSISDBHSA-N 0 0 398.507 3.520 1 0 GHAFRN Cc1cccc(-c2nc3c(ncn3C)c(N(C(N)=O)c3c(F)cccc3F)n2)c1 ZINC000013488582 210063498 /nfs/dbraw/zinc/06/34/98/210063498.db2.gz FZVPNTNQWSFBSZ-UHFFFAOYSA-N 0 0 394.385 3.834 1 0 GHAFRN C=Cc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000009726208 209844559 /nfs/dbraw/zinc/84/45/59/209844559.db2.gz FRARGXBIZPVZEJ-UHFFFAOYSA-N 0 0 376.909 3.936 3 0 GHAFRN CCOc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nnnn32)cc1OC ZINC000002915499 209397115 /nfs/dbraw/zinc/39/71/15/209397115.db2.gz WQCZCXOQHDLQLB-HZPDHXFCSA-N 0 0 385.855 3.880 1 0 GHAFRN O=C(C1CC1)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002456550 209365172 /nfs/dbraw/zinc/36/51/72/209365172.db2.gz KWTYMEMFFWZKQT-GOSISDBHSA-N 0 0 385.261 3.729 1 0 GHAFRN Cc1cc(OCc2nnc3sc(NC(=O)c4ccccc4)nn23)ccc1Cl ZINC000001659028 209335501 /nfs/dbraw/zinc/33/55/01/209335501.db2.gz RRUXEZBNVXLODK-UHFFFAOYSA-N 0 0 399.863 3.979 1 0 GHAFRN Nc1nc(N)c(F)c(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1F ZINC000001489220 209330327 /nfs/dbraw/zinc/33/03/27/209330327.db2.gz STRAIBOPIVXLQO-UHFFFAOYSA-N 0 0 382.349 3.782 1 0 GHAFRN COc1ccc(NCc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1 ZINC000000925139 209279158 /nfs/dbraw/zinc/27/91/58/209279158.db2.gz OSMCTIPCHCNCCY-UHFFFAOYSA-N 0 0 385.445 3.674 3 0 GHAFRN CN1c2cc(C(=O)Nc3ccccc3)ccc2[S@@](=O)c2ccccc2C1=O ZINC000169309873 211633817 /nfs/dbraw/zinc/63/38/17/211633817.db2.gz WJXOCGKBTPFBGM-MHZLTWQESA-N 0 0 376.437 3.696 1 0 GHAFRN Cn1s/c(=N/c2ccc(I)cc2)nc1-c1ccccc1 ZINC000103169481 211421494 /nfs/dbraw/zinc/42/14/94/211421494.db2.gz SZMMLXAGOXMZMN-BMRADRMJSA-N 0 0 393.253 3.986 1 0 GHAFRN C[C@H](c1ccnc(Cl)c1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C(N)=O)c1)C2 ZINC000101366447 211399212 /nfs/dbraw/zinc/39/92/12/211399212.db2.gz COVZSEBDZICBKI-UEILYKACSA-N 0 0 385.895 3.969 1 0 GHAFRN COc1cc(F)c(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1F ZINC000096935142 211353541 /nfs/dbraw/zinc/35/35/41/211353541.db2.gz NTFQALZEJYLCFF-UHFFFAOYSA-N 0 0 377.416 3.712 1 0 GHAFRN COC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 ZINC000096286036 211331233 /nfs/dbraw/zinc/33/12/33/211331233.db2.gz NKVKCTYTQNQNIH-HNNXBMFYSA-N 0 0 379.459 3.546 1 0 GHAFRN COc1cc(C(=O)c2c3ccccc3[nH]c2-n2ccnc2)cc(OC)c1OC ZINC000095597563 211281988 /nfs/dbraw/zinc/28/19/88/211281988.db2.gz BGLXHFRSYGZHOZ-UHFFFAOYSA-N 0 0 377.400 3.610 1 0 GHAFRN CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@H]([C@H](C)CC)N2 ZINC000095607751 211281890 /nfs/dbraw/zinc/28/18/90/211281890.db2.gz FSKPIJZBGOJNEI-ZNAOMFPMSA-N 0 0 399.539 3.573 1 0 GHAFRN Cc1cccc(C(=O)N[C@@H]2CCC[C@@]3(CN=C(c4cccc(Cl)c4)O3)C2)n1 ZINC000095592460 211280283 /nfs/dbraw/zinc/28/02/83/211280283.db2.gz JUFSRROJKRHALC-UTKZUKDTSA-N 0 0 383.879 3.932 1 0 GHAFRN Cn1c2ccccc2c2c1Cn1c(c(CO)c(CO)c1-c1ccc(F)cc1)C2 ZINC000095589390 211279791 /nfs/dbraw/zinc/27/97/91/211279791.db2.gz QODOWHRXEOLJHY-UHFFFAOYSA-N 0 0 376.431 3.723 1 0 GHAFRN O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(OCCN2CCOCC2)cc1 ZINC000095557783 211277161 /nfs/dbraw/zinc/27/71/61/211277161.db2.gz GYYJOGKYMRDFFT-UYRXBGFRSA-N 0 0 384.863 3.544 1 0 GHAFRN COc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000084704317 211174183 /nfs/dbraw/zinc/17/41/83/211174183.db2.gz WAMGMBQXLMDUCU-DNVCBOLYSA-N 0 0 379.464 3.529 1 0 GHAFRN NC(=O)c1c(N)n(-c2c(Cl)cc(Cl)cc2Cl)nc1-c1ccncc1 ZINC000084633876 211172633 /nfs/dbraw/zinc/17/26/33/211172633.db2.gz PBRSWXXASPFCPG-UHFFFAOYSA-N 0 0 382.638 3.576 1 0 GHAFRN Cc1cccc(NC(=O)N2CCc3[nH]c(-c4cc5ccccc5[nH]c4=O)nc3C2)c1 ZINC000084616805 211171532 /nfs/dbraw/zinc/17/15/32/211171532.db2.gz IAMASSASKSPWFY-UHFFFAOYSA-N 0 0 399.454 3.817 1 0 GHAFRN Cc1ccc(S(=O)(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)cc1 ZINC000072177075 211081877 /nfs/dbraw/zinc/08/18/77/211081877.db2.gz FPRQLJWUDYLUAT-UHFFFAOYSA-N 0 0 391.452 3.834 1 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C)[C@H]1c1cccc(C)c1 ZINC000072137866 211073820 /nfs/dbraw/zinc/07/38/20/211073820.db2.gz DFERXXFGEAOOKU-FQEVSTJZSA-N 0 0 385.485 3.539 3 0 GHAFRN CC(C)OC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@H]1C(=O)OC(C)C ZINC000072113128 211069965 /nfs/dbraw/zinc/06/99/65/211069965.db2.gz VAPBCFLHEBMRTJ-LJQANCHMSA-N 0 0 395.455 3.903 1 0 GHAFRN CN(C)c1ccc(-c2cnc3cc(I)ccc3n2)cc1 ZINC000072109648 211069169 /nfs/dbraw/zinc/06/91/69/211069169.db2.gz VGDWTNPYLCZUAR-UHFFFAOYSA-N 0 0 375.213 3.967 1 0 GHAFRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)NC[C@H](C)C(=O)S3)c1 ZINC000066259716 211001399 /nfs/dbraw/zinc/00/13/99/211001399.db2.gz ZQUWJYMKXDFQKZ-ZDUSSCGKSA-N 0 0 376.503 3.785 1 0 GHAFRN O=C1CCC(c2ccc(Cl)cc2)=NN1C1N=NC(=S)N1c1ccccc1 ZINC000066073862 211000933 /nfs/dbraw/zinc/00/09/33/211000933.db2.gz IRMOTGSGQXODGI-UHFFFAOYSA-N 0 0 383.864 3.741 1 0 GHAFRN CC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c(=O)c3cc(OC)ccc3nc21 ZINC000061921293 210932028 /nfs/dbraw/zinc/93/20/28/210932028.db2.gz RWGDAUSBTJQRDT-GOSISDBHSA-N 0 0 385.423 3.742 3 0 GHAFRN COCc1nc2c(cc(C(=O)N(C)C)c3c2O[C@H](c2ccccc2C)CC3)n1C ZINC000049112646 210861299 /nfs/dbraw/zinc/86/12/99/210861299.db2.gz JJSVYAMRGKXWCW-IBGZPJMESA-N 0 0 393.487 3.796 1 0 GHAFRN CCNC(=O)Nc1cn2c(cc(-c3cccnc3)cc2-c2ncc(Cl)cn2)n1 ZINC000045257058 210822838 /nfs/dbraw/zinc/82/28/38/210822838.db2.gz LXKRVXJCHWCIQA-UHFFFAOYSA-N 0 0 393.838 3.648 1 0 GHAFRN Cc1csc(NC(=O)c2cccc(Oc3ccc(S(C)(=O)=O)cc3)c2)n1 ZINC000040914897 210797834 /nfs/dbraw/zinc/79/78/34/210797834.db2.gz QBTFISGRBMZQNT-UHFFFAOYSA-N 0 0 388.470 3.900 1 0 GHAFRN CCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000040829121 210794307 /nfs/dbraw/zinc/79/43/07/210794307.db2.gz POSPTHBYSUVWOV-HNNXBMFYSA-N 0 0 377.289 3.950 1 0 GHAFRN O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccoc1 ZINC000040393265 210786833 /nfs/dbraw/zinc/78/68/33/210786833.db2.gz OAYBQPUDGNXPCF-UHFFFAOYSA-N 0 0 396.410 3.782 1 0 GHAFRN CC[C@@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1 ZINC000036348988 210721221 /nfs/dbraw/zinc/72/12/21/210721221.db2.gz HEEKPDWNVFGASY-SNVBAGLBSA-N 0 0 384.914 3.890 1 0 GHAFRN C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc5ccccc5s4)cc3c21 ZINC000028901956 210537007 /nfs/dbraw/zinc/53/70/07/210537007.db2.gz AHGCYGCCKBQXJF-JTQLQIEISA-N 0 0 376.441 3.877 1 0 GHAFRN CCOc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O ZINC000028571765 210529291 /nfs/dbraw/zinc/52/92/91/210529291.db2.gz DWOPFUAVIKBHII-QFIPXVFZSA-N 0 0 399.450 3.631 1 0 GHAFRN CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccsc1Cl)[C@@H](O)C(C)(C)O2 ZINC000026738898 210503389 /nfs/dbraw/zinc/50/33/89/210503389.db2.gz ZFINDMDDTBLULB-LSDHHAIUSA-N 0 0 379.865 3.607 1 0 GHAFRN CCOC(=O)C1=C(C)N[C@](Nc2nc3ccccc3s2)(C(F)(F)F)C1=O ZINC000020461146 210338038 /nfs/dbraw/zinc/33/80/38/210338038.db2.gz SUWBCLBVUWODJK-OAHLLOKOSA-N 0 0 385.367 3.817 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(F)c(F)c3F)CC2)c1 ZINC000095569024 136182106 /nfs/dbraw/zinc/18/21/06/136182106.db2.gz MTIUBLGVSRHLJF-UHFFFAOYSA-N 0 0 380.439 3.635 1 0 GHAFRN CC(C)(C)C(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072103559 222206163 /nfs/dbraw/zinc/20/61/63/222206163.db2.gz WAMMZCGFGBTWTC-SFHVURJKSA-N 0 0 390.890 3.549 1 0 GHAFRN CCCC[C@@](C)(O)C/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC ZINC000003831137 560189946 /nfs/dbraw/zinc/18/99/46/560189946.db2.gz OJLOPKGSLYJEMD-KUQJAZIPSA-N 0 0 382.541 3.954 1 0 in-vitro GHAFRN C[C@H](Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1)[NH2+]C[C@H](O)c1cccnc1 ZINC000040836460 581094845 /nfs/dbraw/zinc/09/48/45/581094845.db2.gz OTLVQMFMIFVEFP-ZHRRBRCNSA-N 0 0 376.456 3.701 1 0 GHAFRN O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000050654963 887694180 /nfs/dbraw/zinc/69/41/80/887694180.db2.gz QMJUAJLBJRVASZ-QGZVFWFLSA-N 0 0 383.517 3.675 1 0 GHAFRN CC(=O)O[C@@H]1CC[C@H]2[C@H]3[C@@H](C)[C@]4(O)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000017377171 210209371 /nfs/dbraw/zinc/20/93/71/210209371.db2.gz PPWXHEFVBQBHDR-QGALZYMDSA-N 0 0 392.536 3.863 1 0 GHAFRN COc1c2c(c(-c3ccc4c(c3)OCO4)c3cc4c(cc31)OCO4)COC2=O ZINC000014641002 210123746 /nfs/dbraw/zinc/12/37/46/210123746.db2.gz WOELDRZIQLRDQB-UHFFFAOYSA-N 0 0 378.336 3.643 1 0 biogenic,in-vitro GHAFRN CC(=O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn21)CC[C@@H](c1ccccc1)O3 ZINC000013983737 210097293 /nfs/dbraw/zinc/09/72/93/210097293.db2.gz PYNDOSSRDWMTJV-SFHVURJKSA-N 0 0 377.444 3.613 1 0 GHAFRN COc1cccc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)c1 ZINC000013809670 210091623 /nfs/dbraw/zinc/09/16/23/210091623.db2.gz BIGSAXIUVZNZOQ-QFIPXVFZSA-N 0 0 386.451 3.901 1 0 GHAFRN COC(=O)[C@H](NC(=O)c1cc(-c2ccc[nH]2)nc2ccccc21)c1ccccc1 ZINC000013762358 210090507 /nfs/dbraw/zinc/09/05/07/210090507.db2.gz OWBVUDHDOPMRCS-OAQYLSRUSA-N 0 0 385.423 3.874 1 0 GHAFRN CN(C)c1ccccc1C[S@](=O)c1nc2c(n1-c1ccccn1)CCCC2 ZINC000013746063 210088809 /nfs/dbraw/zinc/08/88/09/210088809.db2.gz QNKBKPSAPPUDQK-HHHXNRCGSA-N 0 0 380.517 3.520 1 0 GHAFRN O=[S@@](Cc1ccccc1-n1cccc1)c1nc2c(n1-c1ccccn1)CCC2 ZINC000013746324 210087751 /nfs/dbraw/zinc/08/77/51/210087751.db2.gz QKZRPUNTAALDNQ-MUUNZHRXSA-N 0 0 388.496 3.855 1 0 GHAFRN CCCCCCN1C[C@H]2C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c3cccc1c32 ZINC000013686308 210080372 /nfs/dbraw/zinc/08/03/72/210080372.db2.gz OXKYEYYKNYGKHD-FGSXEWAUSA-N 0 0 387.568 3.512 1 0 GHAFRN COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1[S@@](=O)Cc1ccccc1 ZINC000013651703 210075409 /nfs/dbraw/zinc/07/54/09/210075409.db2.gz MGEPAKDJWALBLX-MUUNZHRXSA-N 0 0 395.480 3.957 1 0 GHAFRN c1ccc(-c2nnc3c4c(c(OCc5ccncn5)nn23)C2CCC4CC2)cc1 ZINC000013610284 210073024 /nfs/dbraw/zinc/07/30/24/210073024.db2.gz DXPCEAZKJSYFJM-UHFFFAOYSA-N 0 0 384.443 3.915 1 0 GHAFRN COC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000007992652 209757556 /nfs/dbraw/zinc/75/75/56/209757556.db2.gz QJEYIYDRRXFQFF-ZACQAIPSSA-N 0 0 388.261 3.729 1 0 GHAFRN CC(=O)OC[C@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(OC=O)[C@H]1CC3 ZINC000095909505 291130616 /nfs/dbraw/zinc/13/06/16/291130616.db2.gz CGCFVZINVXIAQC-FSCQIMEVSA-N 0 0 378.509 3.619 1 0 biogenic,in-vitro GHAFRN COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H]1OC[C@H](C3)[C@H]1C)OCO2 ZINC000015274122 291132415 /nfs/dbraw/zinc/13/24/15/291132415.db2.gz ZXZUDTYLUHGDRO-GDAOTKPNSA-N 0 0 398.411 3.708 1 0 biogenic,in-vitro GHAFRN COc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000003814582 209455055 /nfs/dbraw/zinc/45/50/55/209455055.db2.gz KBSBTAFVYAMCHK-UHFFFAOYSA-N 0 0 396.390 3.970 1 0 GHAFRN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(Br)cn1)CCC3 ZINC000002603027 209371410 /nfs/dbraw/zinc/37/14/10/209371410.db2.gz XMAMJNUMPSLAFG-UHFFFAOYSA-N 0 0 389.278 3.777 1 0 GHAFRN CCc1cc2c(o1)c(OC)ncc2C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl ZINC000001483889 209330356 /nfs/dbraw/zinc/33/03/56/209330356.db2.gz VKYWOZPNAQYXPJ-UHFFFAOYSA-N 0 0 382.203 3.591 1 0 GHAFRN CC(C)c1ccc(OCc2nnc(SCC(=O)N3CCCCC3)o2)cc1 ZINC000000876003 209274700 /nfs/dbraw/zinc/27/47/00/209274700.db2.gz PMSGECHZLVWPDI-UHFFFAOYSA-N 0 0 375.494 3.877 3 0 GHAFRN CC(=O)OC[C@@]1(C)CC[C@@H](C(C)C)/C=C/[C@](C)(O)C/C=C/[C@](C)(O)CC1=O ZINC000014691739 209192381 /nfs/dbraw/zinc/19/23/81/209192381.db2.gz MOTBGHLVUHHVFC-DCURBPOESA-N 0 0 380.525 3.586 1 0 GHAFRN CCOC(=O)C[C@@H]1Sc2nc3ccccc3n2[C@@]1(O)c1ccc(Cl)cc1 ZINC000169335480 211636316 /nfs/dbraw/zinc/63/63/16/211636316.db2.gz CUXLDPOEFTVZBV-QFBILLFUSA-N 0 0 388.876 3.811 1 0 GHAFRN CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc2nncn2c1 ZINC000096284253 211331746 /nfs/dbraw/zinc/33/17/46/211331746.db2.gz TYSMLUZJDMRTJW-QGZVFWFLSA-N 0 0 377.473 3.983 1 0 GHAFRN CCOC(=O)N[C@@H]1N=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc21 ZINC000096284858 211331280 /nfs/dbraw/zinc/33/12/80/211331280.db2.gz LWEODHHVWRXEBT-SFHVURJKSA-N 0 0 395.850 3.825 1 0 GHAFRN O=C(c1ccc(O)cc1)N1CCc2cc3c(cc2[C@H]1c1cccc(O)c1)OCO3 ZINC000095602919 211282732 /nfs/dbraw/zinc/28/27/32/211282732.db2.gz PCBZBQMQQZLGAX-JOCHJYFZSA-N 0 0 389.407 3.614 1 0 GHAFRN CCN1C(=N)N[C@@]2(CC(C)(C)Oc3ccc(-c4cccc(Cl)c4)cc32)C1=O ZINC000095605794 211282514 /nfs/dbraw/zinc/28/25/14/211282514.db2.gz LVSDEOGFBMASFA-OAQYLSRUSA-N 0 0 383.879 3.940 1 0 GHAFRN Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3cccs3)OC[C@@H]2C(C)C)cc1 ZINC000095567843 211278409 /nfs/dbraw/zinc/27/84/09/211278409.db2.gz FJBJDYIWAOSTRQ-APWZRJJASA-N 0 0 393.530 3.701 3 0 GHAFRN CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccccc2Cl)ON1C ZINC000095592407 211279671 /nfs/dbraw/zinc/27/96/71/211279671.db2.gz RRZNOTMOUCFQMJ-ZIAGYGMSSA-N 0 0 376.777 3.506 1 0 GHAFRN Cc1cccc(C)c1-n1nnnc1[C@H]1c2ccccc2C(=O)N1CCC(C)C ZINC000095571174 211279118 /nfs/dbraw/zinc/27/91/18/211279118.db2.gz LWQKGYBFHTWLOS-HXUWFJFHSA-N 0 0 375.476 3.870 3 0 GHAFRN C[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 ZINC000095552750 211277408 /nfs/dbraw/zinc/27/74/08/211277408.db2.gz VWRJSJAYKVMVKJ-HDDXYUSQSA-N 0 0 378.472 3.654 1 0 GHAFRN CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cc(F)cc(-c2nn[nH]n2)c1 ZINC000084655288 211172477 /nfs/dbraw/zinc/17/24/77/211172477.db2.gz WZEGCAWKLRVSGX-UHFFFAOYSA-N 0 0 393.344 3.968 1 0 GHAFRN Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000072175861 211082152 /nfs/dbraw/zinc/08/21/52/211082152.db2.gz XPCPEMOBOVRMDQ-UZLBHIALSA-N 0 0 397.906 3.852 1 0 GHAFRN CCNC(=O)c1c(C(=O)NC2CCCC2)noc1-c1ccc(C(F)(F)F)cc1 ZINC000072176641 211081208 /nfs/dbraw/zinc/08/12/08/211081208.db2.gz XGVKBOPUNHIQLC-UHFFFAOYSA-N 0 0 395.381 3.783 1 0 GHAFRN CCOC(=O)C[C@@H]1c2cc(-c3cccc(C)c3)ccc2OC(N)=C1C(=O)OCC ZINC000072113777 211069858 /nfs/dbraw/zinc/06/98/58/211069858.db2.gz UDJZLBPJUUWFOP-GOSISDBHSA-N 0 0 395.455 3.825 1 0 GHAFRN O=C(c1ccccc1)c1c(C(F)F)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000071316079 211044470 /nfs/dbraw/zinc/04/44/70/211044470.db2.gz UKJWWVFRUYHVST-UHFFFAOYSA-N 0 0 385.153 3.582 1 0 GHAFRN COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CC5)cc-4[nH]c32)c1 ZINC000071281502 211043116 /nfs/dbraw/zinc/04/31/16/211043116.db2.gz HYXFNGLXNMLTNQ-UHFFFAOYSA-N 0 0 375.428 3.619 1 0 GHAFRN CN1CC(N2CCc3cc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)ccc32)C1 ZINC000068197258 211032647 /nfs/dbraw/zinc/03/26/47/211032647.db2.gz MFWGGNQVVILSFU-UHFFFAOYSA-N 0 0 391.902 3.834 1 0 GHAFRN COc1cccc(CN2CC[C@@]2(C)C(=O)Nc2cnc3ccccc3c2)c1F ZINC000061908684 210931483 /nfs/dbraw/zinc/93/14/83/210931483.db2.gz KBBGQNMBSVLXPM-QFIPXVFZSA-N 0 0 379.435 3.986 3 0 GHAFRN CCOC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(O)c2)N1C(=O)CC ZINC000049808148 210865005 /nfs/dbraw/zinc/86/50/05/210865005.db2.gz DWLDIEDANWVQTK-UGKGYDQZSA-N 0 0 392.455 3.689 1 0 GHAFRN O=C(Nc1ccc(F)cc1F)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000043011323 210804676 /nfs/dbraw/zinc/80/46/76/210804676.db2.gz IJXYJLXPIWULHK-QXUMQBBKSA-N 0 0 394.377 3.529 1 0 GHAFRN CC(C)n1cnc2c1nc(N1CCCC[C@@H]1CCO)nc2Nc1ccccc1 ZINC000026397779 210496921 /nfs/dbraw/zinc/49/69/21/210496921.db2.gz PFWJNVZNGRRCDG-QGZVFWFLSA-N 0 0 380.496 3.892 1 0 GHAFRN O=c1oc2ccccc2cc1C1=CSc2nnc(-c3cccc(F)c3)n2N1 ZINC000020617891 210353438 /nfs/dbraw/zinc/35/34/38/210353438.db2.gz JGMOUDBLVNAALA-UHFFFAOYSA-N 0 0 378.388 3.549 1 0 GHAFRN CCCCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2cccnc21 ZINC000072323451 136168176 /nfs/dbraw/zinc/16/81/76/136168176.db2.gz BVOZNSAEHGKHFI-UHFFFAOYSA-N 0 0 380.467 3.938 2 0 GHAFRN O=C(Nc1cn(-c2ccccc2)cn1)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000040430844 221925603 /nfs/dbraw/zinc/92/56/03/221925603.db2.gz MWHRYDCCCKQECA-UHFFFAOYSA-N 0 0 388.427 3.566 1 0 GHAFRN Nc1nc2c(ncn2Cc2ccc(C(F)(F)F)cc2F)c(-c2ccco2)n1 ZINC000028522937 581095918 /nfs/dbraw/zinc/09/59/18/581095918.db2.gz FIZHCYGMIIQLNR-UHFFFAOYSA-N 0 0 377.301 3.875 1 0 GHAFRN O=c1[nH]c(=O)c(Cc2ccccc2)c(N2CCC(c3cccc(Cl)c3)CC2)[nH]1 ZINC000028708035 581101742 /nfs/dbraw/zinc/10/17/42/581101742.db2.gz IYIBSFQMWALFFX-UHFFFAOYSA-N 0 0 395.890 3.691 1 0 GHAFRN Cc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2 ZINC000013779436 210090932 /nfs/dbraw/zinc/09/09/32/210090932.db2.gz JCRAEXACIZJAKA-UHFFFAOYSA-N 0 0 379.201 3.589 1 0 GHAFRN COC1(c2cc(F)cc(OCc3cc4ccccc4[nH]c3=O)c2)CCOCC1 ZINC000013725466 210084648 /nfs/dbraw/zinc/08/46/48/210084648.db2.gz UTBAFSLOUGSPFF-UHFFFAOYSA-N 0 0 383.419 3.898 1 0 GHAFRN COC(=O)c1ccc(C(=O)Oc2c(C)cc3c(c2C)C(C)(C)CC(=O)O3)cc1 ZINC000013652285 210076093 /nfs/dbraw/zinc/07/60/93/210076093.db2.gz BJCCGXAOODPTTH-UHFFFAOYSA-N 0 0 382.412 3.896 1 0 GHAFRN Cc1noc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1 ZINC000013610453 210072389 /nfs/dbraw/zinc/07/23/89/210072389.db2.gz SBEYFGRWTIYTGH-UHFFFAOYSA-N 0 0 388.431 3.817 1 0 GHAFRN CCCn1c(=O)c2c(nc3cc(C(C)(C)C)ccn32)n(Cc2ccccc2)c1=O ZINC000013475100 210063333 /nfs/dbraw/zinc/06/33/33/210063333.db2.gz GWMULTMVYLNOQD-UHFFFAOYSA-N 0 0 390.487 3.567 1 0 GHAFRN COc1ccc(C(=O)O[C@H]2CC(CO)=CC[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000095912659 291133288 /nfs/dbraw/zinc/13/32/88/291133288.db2.gz GAASAKWUDZGHBV-KKSHJYNMSA-N 0 0 388.504 3.737 1 0 biogenic,in-vitro GHAFRN CCOc1ccc([C@H]2C[C@H](c3ccc(CC)cc3)Nc3nnnn32)cc1OC ZINC000002915474 209397433 /nfs/dbraw/zinc/39/74/33/209397433.db2.gz CLAZBSVIDYQOSN-QZTJIDSGSA-N 0 0 379.464 3.789 1 0 GHAFRN CCCn1c2nc(/C=C/c3cccc(Cl)c3)n(C)c2c(=O)n(CCC)c1=O ZINC000013827005 209235595 /nfs/dbraw/zinc/23/55/95/209235595.db2.gz UGAILPQNQLJXBN-MDZDMXLPSA-N 0 0 386.883 3.541 1 0 GHAFRN CC[S@@](=O)C(=O)N(CCCC[S@](C)=O)Cc1cccc2ccccc21 ZINC000096930149 211352253 /nfs/dbraw/zinc/35/22/53/211352253.db2.gz YYZWHQYXCGKRCD-RPBOFIJWSA-N 0 0 379.547 3.689 1 0 GHAFRN Cc1ccccc1CN1C(=O)c2ccccc2[C@@H]1c1nnnn1Cc1ccccc1 ZINC000095570461 211278611 /nfs/dbraw/zinc/27/86/11/211278611.db2.gz ZESNEPKYLBIPGI-JOCHJYFZSA-N 0 0 395.466 3.775 3 0 GHAFRN CC(C)(C)S(=O)(=O)c1ccc2[nH]c(N3CCO[C@@H](c4ccccc4)C3)nc2c1 ZINC000095573734 211278658 /nfs/dbraw/zinc/27/86/58/211278658.db2.gz OGPBFUBAUKFODM-LJQANCHMSA-N 0 0 399.516 3.713 1 0 GHAFRN CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N(C)C)cc21 ZINC000084757203 211173581 /nfs/dbraw/zinc/17/35/81/211173581.db2.gz YAAVBOPZZSHNQT-UHFFFAOYSA-N 0 0 395.478 3.937 1 0 GHAFRN O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCCCn1ccnc1 ZINC000072110022 211069978 /nfs/dbraw/zinc/06/99/78/211069978.db2.gz UVFCZEQBYKVKAY-UHFFFAOYSA-N 0 0 398.260 3.875 1 0 GHAFRN CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3cccc(Cl)c3nc2Cl)S1 ZINC000072109765 211069553 /nfs/dbraw/zinc/06/95/53/211069553.db2.gz QHKZSLKDBJOKDZ-CQSZACIVSA-N 0 0 383.260 3.543 1 0 GHAFRN O=c1[nH]nc(-c2ccnc(Nc3cccnc3)c2)n1-c1ccc2ccccc2c1 ZINC000066263178 211001843 /nfs/dbraw/zinc/00/18/43/211001843.db2.gz XYVNGBDEDFMYEK-UHFFFAOYSA-N 0 0 380.411 3.914 1 0 GHAFRN CO[C@@H]1CC=C2NN(c3c[nH]c4ccccc43)C(=O)CC[C@]2(c2ccccc2)O1 ZINC000064499010 210940132 /nfs/dbraw/zinc/94/01/32/210940132.db2.gz ZMBVBNQPHCNBBQ-XZOQPEGZSA-N 0 0 389.455 3.972 1 0 GHAFRN Cc1nc(C)c(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1C ZINC000045506027 210826257 /nfs/dbraw/zinc/82/62/57/210826257.db2.gz JKJKRAGIRKARKE-UHFFFAOYSA-N 0 0 393.318 3.667 1 0 GHAFRN CCOC(=O)[C@@]1(c2ccc(O)cc2)Nc2ccccc2-c2ncnc3[nH]cc1c32 ZINC000045369254 210825374 /nfs/dbraw/zinc/82/53/74/210825374.db2.gz OFXSAXAQVKKCEQ-QFIPXVFZSA-N 0 0 386.411 3.563 1 0 GHAFRN COc1ccc(C2=NN(C(C)=O)[C@H](c3cccc(Br)c3)O2)cc1 ZINC000045289548 210823456 /nfs/dbraw/zinc/82/34/56/210823456.db2.gz FMFZBKNNLOYZDS-KRWDZBQOSA-N 0 0 375.222 3.697 1 0 GHAFRN CC(C)CNc1c2cccnc2n2c(nnc2C(C)C)c1C(=O)N1CCCC1 ZINC000040873854 210795941 /nfs/dbraw/zinc/79/59/41/210795941.db2.gz TYSPCYHWYROKBD-UHFFFAOYSA-N 0 0 380.496 3.705 1 0 GHAFRN CC(=O)O[C@H]1C[C@H]2[C@@H](C)C3=CC(=O)O[C@]3(O)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000040393365 210787025 /nfs/dbraw/zinc/78/70/25/210787025.db2.gz SBMJOOYWCLPOPY-RTVASPDHSA-N 0 0 376.493 3.598 1 0 GHAFRN COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1ccc(=O)cc1)C(F)(F)F ZINC000035086124 210675536 /nfs/dbraw/zinc/67/55/36/210675536.db2.gz GRBCNFHNMVJUEQ-GOSISDBHSA-N 0 0 387.373 3.657 1 0 GHAFRN COc1ccc(C2=NN(Cc3ccc(O)cc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000026566801 210501315 /nfs/dbraw/zinc/50/13/15/210501315.db2.gz XWLNXPBGFLZPDR-MOPGFXCFSA-N 0 0 394.471 3.962 1 0 GHAFRN COc1cccc(NC(=O)CCC2CCN(C(=O)c3c(C)noc3C)CC2)c1 ZINC000011934468 221139220 /nfs/dbraw/zinc/13/92/20/221139220.db2.gz QYLBCLREOAPRPL-UHFFFAOYSA-N 0 0 385.464 3.571 3 0 GHAFRN O=C(c1ccc(F)cc1Cl)N1CCN(c2ccc(F)cc2Cl)C(=O)C1 ZINC000059284341 136155653 /nfs/dbraw/zinc/15/56/53/136155653.db2.gz RIARAEYTAOLAKD-UHFFFAOYSA-N 0 0 385.197 3.761 1 0 GHAFRN O=C(Nc1nc2ccc(N3C(=O)Cc4ccc(F)cc4C3=O)cc2s1)C1CC1 ZINC000096929795 136187772 /nfs/dbraw/zinc/18/77/72/136187772.db2.gz SJDCIKCDLZIVFQ-UHFFFAOYSA-N 0 0 395.415 3.513 1 0 GHAFRN C[C@H](CC(=O)[O-])[NH+]1CCC(=C2c3ccc(F)cc3OCc3cccnc32)CC1 ZINC000027560600 221655719 /nfs/dbraw/zinc/65/57/19/221655719.db2.gz ZHIHXWNORGBAOA-CQSZACIVSA-N 0 0 382.435 3.874 1 0 GHAFRN CC(C)NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1 ZINC000040423133 221923590 /nfs/dbraw/zinc/92/35/90/221923590.db2.gz YQJQJLXDRHRUTQ-UHFFFAOYSA-N 0 0 381.411 3.947 1 0 GHAFRN CC(C)(C)OC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072100853 222205134 /nfs/dbraw/zinc/20/51/34/222205134.db2.gz PUQOVBCOAMTZQJ-SFHVURJKSA-N 0 0 388.899 3.772 1 0 GHAFRN c1n[nH]cc1-c1ccc2c(c1)[nH]nc2-c1cc2cc(CN3CCOCC3)ccc2[nH]1 ZINC000014949241 210130686 /nfs/dbraw/zinc/13/06/86/210130686.db2.gz SYNHRWSDSNIWGA-UHFFFAOYSA-N 0 0 398.470 3.934 1 0 GHAFRN O=C(NCCO)c1cc2c(cncc2Oc2ccc(Br)cc2)s1 ZINC000013864382 210095586 /nfs/dbraw/zinc/09/55/86/210095586.db2.gz IZBOFIUTXBWHRE-UHFFFAOYSA-N 0 0 393.262 3.573 1 0 GHAFRN CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccc(OC)c1)CCCC3 ZINC000013837611 210094408 /nfs/dbraw/zinc/09/44/08/210094408.db2.gz TZRRDDHROFLVMK-IBGZPJMESA-N 0 0 394.471 3.913 1 0 GHAFRN CCOc1ccccc1-c1nnc2n1N=C(c1cc(OC)cc(OC)c1)CS2 ZINC000013828739 210094227 /nfs/dbraw/zinc/09/42/27/210094227.db2.gz AQBHVHVBMAKXSQ-UHFFFAOYSA-N 0 0 396.472 3.719 1 0 GHAFRN C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Br)c3)c2n1 ZINC000013797540 210092349 /nfs/dbraw/zinc/09/23/49/210092349.db2.gz HRLHWOFWUMHHIP-UHFFFAOYSA-N 0 0 388.200 3.795 1 0 GHAFRN C[C@H]1Cc2c(c3c(nc2-c2ccccc2)CCN(C(=O)c2cccnc2)C3)CO1 ZINC000013817523 210091743 /nfs/dbraw/zinc/09/17/43/210091743.db2.gz KOARQDHWOPPMBA-INIZCTEOSA-N 0 0 385.467 3.803 1 0 GHAFRN CCCCCOc1c(OC)ccc2cc(C(=O)Nc3ccccc3N)c(=O)[nH]c21 ZINC000013683974 210079505 /nfs/dbraw/zinc/07/95/05/210079505.db2.gz GOXSJDZTCJSUKK-UHFFFAOYSA-N 0 0 395.459 3.940 1 0 GHAFRN CS(=O)(=O)c1ccc([C@H](Nc2nccs2)C(=O)c2ccc(F)cc2)cc1 ZINC000013588955 210071087 /nfs/dbraw/zinc/07/10/87/210071087.db2.gz OGZJZJHCRLZWOA-INIZCTEOSA-N 0 0 390.461 3.722 1 0 GHAFRN COc1ccc(C(=O)Nc2ccc(O)cc2NC(=O)c2ccc(OC)cc2)cc1 ZINC000013557916 210067074 /nfs/dbraw/zinc/06/70/74/210067074.db2.gz HPQWOCMXPCSUIS-UHFFFAOYSA-N 0 0 392.411 3.914 1 0 GHAFRN Cc1cnc(C[S@](=O)c2nc3cscc3[nH]2)cc1OCC(F)(F)F ZINC000013448727 210061603 /nfs/dbraw/zinc/06/16/03/210061603.db2.gz NMFMOCWDQKTKKY-XMMPIXPASA-N 0 0 375.397 3.577 1 0 GHAFRN CCOC(=O)c1sc2nc(SC)nc(-c3cccc(OC)c3)c2c1N ZINC000013445671 210061067 /nfs/dbraw/zinc/06/10/67/210061067.db2.gz HSQLIQNRPIMMEP-UHFFFAOYSA-N 0 0 375.475 3.848 1 0 GHAFRN COc1cc(OC)cc(C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1 ZINC000012484218 209966148 /nfs/dbraw/zinc/96/61/48/209966148.db2.gz WEOYCSRBABSWSX-SFHVURJKSA-N 0 0 385.489 3.804 3 0 GHAFRN COc1cccc2cc(C(=O)N(Cc3cccs3)C[C@@H]3CCCO3)c(=O)oc21 ZINC000001342159 209321724 /nfs/dbraw/zinc/32/17/24/209321724.db2.gz PFDZQQDSAJFVLK-HNNXBMFYSA-N 0 0 399.468 3.685 3 0 GHAFRN CC/C=C(\C)C[C@@H](C)C(=O)[C@@H](C)[C@@]1(O)O[C@@H]([C@H](C)C(=O)CC)[C@H](C)[C@H](O)[C@@H]1C ZINC000033955703 209246901 /nfs/dbraw/zinc/24/69/01/209246901.db2.gz BFQWBQIYMSVPOL-XJVOWHNASA-N 0 0 396.568 3.910 1 0 GHAFRN O=C(c1cc(F)cc(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccccc1 ZINC000103226427 211424837 /nfs/dbraw/zinc/42/48/37/211424837.db2.gz LPXNUMDNWPMNAR-QHCPKHFHSA-N 0 0 390.389 3.778 1 0 GHAFRN CC(C)(C)[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc21 ZINC000095605813 211283017 /nfs/dbraw/zinc/28/30/17/211283017.db2.gz ZKLITWMNDRXOLR-LBPRGKRZSA-N 0 0 389.550 3.780 1 0 GHAFRN Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1CCc1ccccc1 ZINC000095598914 211281923 /nfs/dbraw/zinc/28/19/23/211281923.db2.gz QTRZRSXWTMSMLF-JOCHJYFZSA-N 0 0 382.529 3.819 3 0 GHAFRN CSc1cccc(-c2ccc3c(c2)[C@@]2(CC(C)(C)O3)NC(=N)N(C)C2=O)c1 ZINC000095602484 211281694 /nfs/dbraw/zinc/28/16/94/211281694.db2.gz RWGJWBPBDZOMCK-OAQYLSRUSA-N 0 0 381.501 3.619 1 0 GHAFRN O=C(Nc1cc(=O)c2ccccc2[nH]1)Nc1cccc2c1[C@H]1CCCCN1C2=O ZINC000095579072 211279081 /nfs/dbraw/zinc/27/90/81/211279081.db2.gz OPBKJRNSJXDJBR-QGZVFWFLSA-N 0 0 388.427 3.853 1 0 GHAFRN CCOC(=O)c1cccn1Cc1cccc(CNC(=O)NC2CCCCC2)c1 ZINC000095575304 211279102 /nfs/dbraw/zinc/27/91/02/211279102.db2.gz MECXGGYQLRARJJ-UHFFFAOYSA-N 0 0 383.492 3.845 1 0 GHAFRN CCOC(=O)C1=C(C)NC(=O)N(P(=O)(OCC)OCC)[C@@H]1c1ccccc1 ZINC000084729180 211174202 /nfs/dbraw/zinc/17/42/02/211174202.db2.gz DYXMAAUVIFJPOE-MRXNPFEDSA-N 0 0 396.380 3.771 1 0 GHAFRN COc1cc(C)cc(OC)c1O[C@H](C)[C@@H](O)c1ccc2c(c1)OC(F)(F)O2 ZINC000084739092 211173520 /nfs/dbraw/zinc/17/35/20/211173520.db2.gz KTPKDWNUOKRORI-PIGZYNQJSA-N 0 0 382.359 3.835 1 0 GHAFRN COc1cc(C(=O)c2sc(-c3ccsc3)nc2N)cc(OC)c1OC ZINC000084653182 211173299 /nfs/dbraw/zinc/17/32/99/211173299.db2.gz GBHRUDHWUPTKOY-UHFFFAOYSA-N 0 0 376.459 3.711 1 0 GHAFRN CC(C)c1nccn1Cc1cc(C(=O)N2CCCC[C@@H]2c2cccnc2)[nH]n1 ZINC000015075315 211126832 /nfs/dbraw/zinc/12/68/32/211126832.db2.gz MKRARBWRGLPXMY-LJQANCHMSA-N 0 0 378.480 3.540 1 0 GHAFRN Cc1cc2c(sc(C(=O)N(C)C)c2-c2ccc(Cc3nn[nH]n3)cc2)c(C)c1 ZINC000066259394 211002415 /nfs/dbraw/zinc/00/24/15/211002415.db2.gz OXHKCSROASTWEP-UHFFFAOYSA-N 0 0 391.500 3.991 1 0 GHAFRN CO[C@@H]1CC=C2NN(c3cc4ccccc4[nH]3)C(=O)C[C@]2(c2ccccc2)O1 ZINC000066252270 211001663 /nfs/dbraw/zinc/00/16/63/211001663.db2.gz AYCGNLIXAAPHOJ-FCHUYYIVSA-N 0 0 375.428 3.581 1 0 GHAFRN COc1cc(NC(=O)c2ccncn2)ccc1NC(=O)c1ccccc1Cl ZINC000066066335 211000077 /nfs/dbraw/zinc/00/00/77/211000077.db2.gz GZPRAHBIWSNPMM-UHFFFAOYSA-N 0 0 382.807 3.643 1 0 GHAFRN CC(C)CCNC(=O)[C@@H]1C[C@H]2Cn3c4cc(Cl)c(Cl)cc4nc3[C@@H]2N1C ZINC000059920420 210927371 /nfs/dbraw/zinc/92/73/71/210927371.db2.gz VWSQNAZBLCEOES-MZPVMMEZSA-N 0 0 395.334 3.880 3 0 GHAFRN COc1cc(-n2ncnc2-c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC000049071639 210860139 /nfs/dbraw/zinc/86/01/39/210860139.db2.gz PURODWRJUJVDFF-UHFFFAOYSA-N 0 0 395.337 3.859 1 0 GHAFRN COc1ccc2[nH]c(CN3c4ccccc4C[C@@H]3C)c(CCNC(C)=O)c2c1 ZINC000040847037 210797081 /nfs/dbraw/zinc/79/70/81/210797081.db2.gz NKXGGEZXAZMHFM-HNNXBMFYSA-N 0 0 377.488 3.806 1 0 GHAFRN C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2-n2c1nnc2N1CCOCC1 ZINC000039247020 210762757 /nfs/dbraw/zinc/76/27/57/210762757.db2.gz MEYCNNIMDYLHMV-AWEZNQCLSA-N 0 0 393.878 3.669 1 0 GHAFRN CSc1n[nH]c2c1[C@H]1CCC[C@@H](C2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000034891772 210670838 /nfs/dbraw/zinc/67/08/38/210670838.db2.gz GWKMCIVZYSFGPK-SMDDNHRTSA-N 0 0 383.926 3.626 1 0 GHAFRN Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)s1 ZINC000026956470 210508451 /nfs/dbraw/zinc/50/84/51/210508451.db2.gz CMAXXISYQHVGOB-UHFFFAOYSA-N 0 0 387.408 3.575 1 0 GHAFRN O=C1OCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCOC1=O)N2 ZINC000026944124 210507738 /nfs/dbraw/zinc/50/77/38/210507738.db2.gz GWESGXNXOJUTLE-CYBMUJFWSA-N 0 0 394.196 3.517 1 0 GHAFRN C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)c1ccccc1)OCO3 ZINC000025987456 210487911 /nfs/dbraw/zinc/48/79/11/210487911.db2.gz CHGQLDLXJZWMMG-HNNXBMFYSA-N 0 0 399.450 3.837 1 0 GHAFRN C[C@H]1[C@H](NC(=O)CCCn2c3ccccc3c3cn[nH]c(=O)c32)CCC[C@@H]1C ZINC000020416549 210334097 /nfs/dbraw/zinc/33/40/97/210334097.db2.gz DCPJMRSSVRKKGL-HDMKZQKVSA-N 0 0 380.492 3.599 1 0 GHAFRN O=C(Nc1ccc(N2CCNCC2=O)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000084616900 136175021 /nfs/dbraw/zinc/17/50/21/136175021.db2.gz YVHSGWHHBUBSBO-UHFFFAOYSA-N 0 0 395.846 3.789 1 0 GHAFRN COc1cccc(NC(=O)c2ccc(N3CCc4cc(OC)ccc4C3)nc2)c1 ZINC000095591190 136182417 /nfs/dbraw/zinc/18/24/17/136182417.db2.gz SSOSFHCZJIGZAG-UHFFFAOYSA-N 0 0 389.455 3.914 1 0 GHAFRN CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)C(C)(C)C ZINC000073224077 222269112 /nfs/dbraw/zinc/26/91/12/222269112.db2.gz NBPOVHXUKYASOM-UHFFFAOYSA-N 0 0 389.452 3.611 1 0 GHAFRN O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000050654960 887694594 /nfs/dbraw/zinc/69/45/94/887694594.db2.gz QMJUAJLBJRVASZ-KRWDZBQOSA-N 0 0 383.517 3.675 1 0 GHAFRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3[C@H](C)[C@]4(O)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000017377177 210209154 /nfs/dbraw/zinc/20/91/54/210209154.db2.gz PPWXHEFVBQBHDR-CCGIUMOBSA-N 0 0 392.536 3.863 1 0 GHAFRN CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2nc3cc(OC)ccc3[nH]2)C1 ZINC000014976968 210138320 /nfs/dbraw/zinc/13/83/20/210138320.db2.gz VTSVIVIZRMTHNK-CQSZACIVSA-N 0 0 389.459 3.571 1 0 GHAFRN O=C(NCCN1CCc2cc(F)ccc21)Nc1ccccc1Br ZINC000014973971 210135495 /nfs/dbraw/zinc/13/54/95/210135495.db2.gz CQOHFTJLBMKZJS-UHFFFAOYSA-N 0 0 378.245 3.772 1 0 GHAFRN O=C(CCNC(=S)Nc1ccc(Br)cn1)c1ccc(F)cc1 ZINC000014943881 210132178 /nfs/dbraw/zinc/13/21/78/210132178.db2.gz XIDVTNDDDXQJCF-UHFFFAOYSA-N 0 0 382.258 3.543 1 0 GHAFRN O=Cc1cc2cc(C3=CN4CCC3CC4)oc2c(I)c1 ZINC000013757459 210088335 /nfs/dbraw/zinc/08/83/35/210088335.db2.gz HPXSCBIGYJMQQH-UHFFFAOYSA-N 0 0 379.197 3.916 1 0 GHAFRN COc1ccc2c(c1)cc(CO)c(CO)c2-c1cc(OC)c(OC)c(OC)c1 ZINC000013756796 210088402 /nfs/dbraw/zinc/08/84/02/210088402.db2.gz SRVNQPFSGYJCGC-UHFFFAOYSA-N 0 0 384.428 3.526 1 0 GHAFRN O=C([O-])C1C[NH+](Cc2ccc(-c3noc(-c4ccc(C5CC5)cc4)n3)cc2)C1 ZINC000013673892 210078180 /nfs/dbraw/zinc/07/81/80/210078180.db2.gz TXPQNUNBAQRPEW-UHFFFAOYSA-N 0 0 375.428 3.797 1 0 GHAFRN Cn1c(-c2ccc([S@](C)=O)cc2)nc2c1ncnc2Sc1ccccc1 ZINC000013608648 210073182 /nfs/dbraw/zinc/07/31/82/210073182.db2.gz HYSJPKDGNVKSFR-AREMUKBSSA-N 0 0 380.498 3.919 1 0 GHAFRN O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1c[nH]c2ccccc12 ZINC000013601744 210073211 /nfs/dbraw/zinc/07/32/11/210073211.db2.gz DRKCUHAYMQLCBR-QFIPXVFZSA-N 0 0 394.434 3.714 1 0 GHAFRN O=C(Nc1ccccc1)C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634851 210073470 /nfs/dbraw/zinc/07/34/70/210073470.db2.gz DIDXGEWSXYCXKH-KNQAVFIVSA-N 0 0 379.456 3.991 3 0 GHAFRN CS(=O)(=O)c1ccc(-c2cc3c(cc2C(=O)c2ccccc2F)OCO3)cc1 ZINC000013530442 210064898 /nfs/dbraw/zinc/06/48/98/210064898.db2.gz VILOGBDIMZFVCZ-UHFFFAOYSA-N 0 0 398.411 3.856 1 0 GHAFRN O=C(c1ccc2[nH]ccc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000013441663 210060600 /nfs/dbraw/zinc/06/06/00/210060600.db2.gz NSUSTNSFASZPEW-UHFFFAOYSA-N 0 0 375.428 3.929 1 0 GHAFRN CCOC(=O)C1=C/C(=C\C(C)C)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 ZINC000085595055 291131609 /nfs/dbraw/zinc/13/16/09/291131609.db2.gz LYASUHWLOULVBB-RORWEDLISA-N 0 0 388.460 3.648 1 0 biogenic,in-vitro GHAFRN CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC2CCCCC2)c1 ZINC000085629190 291131618 /nfs/dbraw/zinc/13/16/18/291131618.db2.gz MIEXBEXYKZFFCU-PKOBYXMFSA-N 0 0 378.509 3.908 1 0 biogenic,in-vitro GHAFRN COc1cc2c(c(O)c1C/C=C/c1ccc(O)cc1)[C@@H](OC)[C@@H](C(C)(C)O)O2 ZINC000095099528 291133231 /nfs/dbraw/zinc/13/32/31/291133231.db2.gz ZMVUHJMPHFFOGZ-DXRKNVDNSA-N 0 0 386.444 3.582 1 0 biogenic,in-vitro GHAFRN CC(C)N(C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1)C(C)C ZINC000004905357 209542090 /nfs/dbraw/zinc/54/20/90/209542090.db2.gz JKCARIWCWXINKK-UHFFFAOYSA-N 0 0 398.579 3.518 3 0 GHAFRN COc1ccc([C@@H]2[C@H](C(=O)N3CCC[C@@H](C)C3)c3ccccc3C(=O)N2C)cc1 ZINC000004572184 209498501 /nfs/dbraw/zinc/49/85/01/209498501.db2.gz PDMKSBLUHPWREW-NPFVIJTESA-N 0 0 392.499 3.864 1 0 GHAFRN O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1cccnc1 ZINC000001848967 209341888 /nfs/dbraw/zinc/34/18/88/209341888.db2.gz RWUJDTMORFQDIM-UHFFFAOYSA-N 0 0 375.815 3.860 1 0 GHAFRN COc1cc2nc(N3CCc4c(ccc5ccccc54)C3)nc(N)c2cc1OC ZINC000000601652 209250464 /nfs/dbraw/zinc/25/04/64/209250464.db2.gz DSUCOQWPXQJBBD-UHFFFAOYSA-N 0 0 386.455 3.945 1 0 GHAFRN Cc1c(OCC(=O)N(C)c2ccc(Br)cc2)onc1C(F)(F)F ZINC000103199892 211422330 /nfs/dbraw/zinc/42/23/30/211422330.db2.gz NHKIEPHWMVWMNB-UHFFFAOYSA-N 0 0 393.159 3.806 1 0 GHAFRN CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2)ON1C ZINC000095587417 211280639 /nfs/dbraw/zinc/28/06/39/211280639.db2.gz WNNGOPCWCRECEL-KGLIPLIRSA-N 0 0 376.777 3.506 1 0 GHAFRN CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cccc(Cl)c2)ON1C ZINC000095592451 211280137 /nfs/dbraw/zinc/28/01/37/211280137.db2.gz KQLGIQMMTBPDQM-KGLIPLIRSA-N 0 0 376.777 3.506 1 0 GHAFRN Cn1cc2c(n1)nc(NCc1ccc(Cl)cc1)n1nc(-c3ccco3)nc21 ZINC000095579834 211279323 /nfs/dbraw/zinc/27/93/23/211279323.db2.gz BSFFINUACIWIKO-UHFFFAOYSA-N 0 0 379.811 3.537 1 0 GHAFRN C[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)Cc1ccccn1 ZINC000084730062 211174282 /nfs/dbraw/zinc/17/42/82/211174282.db2.gz VOJCRCXJCNNVLD-OHTPYKBISA-N 0 0 397.559 3.650 1 0 GHAFRN O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000084672087 211172613 /nfs/dbraw/zinc/17/26/13/211172613.db2.gz SWEAYHBSAXRXDZ-OALUTQOASA-N 0 0 376.456 3.752 1 0 GHAFRN COc1cc(C(=O)N[C@@H]2COc3cc(Cl)ccc32)ccc1-n1cnc(C)c1 ZINC000084619061 211171655 /nfs/dbraw/zinc/17/16/55/211171655.db2.gz SOKHUVBJJLABEJ-MRXNPFEDSA-N 0 0 383.835 3.706 1 0 GHAFRN CC(C)(C)n1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc21 ZINC000072322936 211089446 /nfs/dbraw/zinc/08/94/46/211089446.db2.gz DZAYVIPDDOCWDA-UHFFFAOYSA-N 0 0 376.504 3.749 2 0 GHAFRN Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCOCC1 ZINC000072179928 211081481 /nfs/dbraw/zinc/08/14/81/211081481.db2.gz BKDNDBILDOURLT-UHFFFAOYSA-N 0 0 376.456 3.555 1 0 GHAFRN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C[C@@H]2CSC)cc1 ZINC000072136513 211074510 /nfs/dbraw/zinc/07/45/10/211074510.db2.gz HEXFZIDVKHBGSK-BEFAXECRSA-N 0 0 384.501 3.666 1 0 GHAFRN CCOC(=O)[C@@H]1CCCN(C(=O)c2[nH]c(C(F)(F)F)nc2-c2ccccc2)C1 ZINC000072136764 211074274 /nfs/dbraw/zinc/07/42/74/211074274.db2.gz VWYMMRFDPXLMRZ-CYBMUJFWSA-N 0 0 395.381 3.511 3 0 GHAFRN CC(C)(C)Cc1nc2cc(S(=O)(=O)CC(C)(C)O)ccc2n1CC1CC1 ZINC000072109297 211069923 /nfs/dbraw/zinc/06/99/23/211069923.db2.gz NVRUPYPCQDLPFB-UHFFFAOYSA-N 0 0 378.538 3.580 1 0 GHAFRN CCCCCCc1c2c(ccc1O)C(=O)[C@@]1(O2)C(Cl)=C(Cl)C(=O)N1C ZINC000068199241 211034191 /nfs/dbraw/zinc/03/41/91/211034191.db2.gz ZSUZJBBHPTXKIV-SFHVURJKSA-N 0 0 384.259 3.948 1 0 GHAFRN O=C(C1CCCCC1)N1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccccc1 ZINC000061923174 210931816 /nfs/dbraw/zinc/93/18/16/210931816.db2.gz YMKHQRZYFGOHSL-YPAWHYETSA-N 0 0 394.519 3.611 3 0 GHAFRN CCOc1ccc([C@H]2N3CCC[C@@H]3C(=O)N2c2ccc(OC)cc2)cc1OC ZINC000058046180 210905525 /nfs/dbraw/zinc/90/55/25/210905525.db2.gz OIPFTRUULNOEHH-NQIIRXRSSA-N 0 0 382.460 3.612 3 0 GHAFRN C=CC(=O)Nc1cc2ncnc(Nc3ccc(F)c(Br)c3)c2[nH]1 ZINC000040915141 210798066 /nfs/dbraw/zinc/79/80/66/210798066.db2.gz BCBLTQCGXQNLIE-UHFFFAOYSA-N 0 0 376.189 3.728 1 0 GHAFRN O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(F)cc3)ns2)CC1 ZINC000034837778 210668137 /nfs/dbraw/zinc/66/81/37/210668137.db2.gz UYISXRRDVKBHDE-UHFFFAOYSA-N 0 0 383.452 3.698 1 0 GHAFRN COc1cc2c(cc1OC)-c1cc(N(C)c3c(F)cccc3F)nc(=O)n1CC2 ZINC000029242819 210543195 /nfs/dbraw/zinc/54/31/95/210543195.db2.gz YAEJRJRXURPIRH-UHFFFAOYSA-N 0 0 399.397 3.530 1 0 GHAFRN Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)c(F)c32)c1 ZINC000028711515 210532143 /nfs/dbraw/zinc/53/21/43/210532143.db2.gz IQHOGIMNAWJGAN-UHFFFAOYSA-N 0 0 380.828 3.509 1 0 GHAFRN O=[S@@](C[C@]1(O)CCN2CCc3c4cc(F)ccc4[nH]c3[C@H]2C1)c1ccccc1 ZINC000027903380 221662785 /nfs/dbraw/zinc/66/27/85/221662785.db2.gz GLJZVMBYWVZQOF-WOIMOHSLSA-N 0 0 398.503 3.539 1 0 GHAFRN COc1cccc(N2CCN(c3ncnc4c5cc(F)ccc5[nH]c43)C[C@@H]2C)c1 ZINC000101256406 537125326 /nfs/dbraw/zinc/12/53/26/537125326.db2.gz NWGCVCABYLGXEB-AWEZNQCLSA-N 0 0 391.450 3.926 1 0 GHAFRN C/C=C(/C)C(=O)O[C@H](COc1c2ccoc2cc2oc(=O)ccc21)C(C)(C)O ZINC000005132548 560200839 /nfs/dbraw/zinc/20/08/39/560200839.db2.gz WXULKGXQMWVWMP-OMLDUKLJSA-N 0 0 386.400 3.567 1 0 biogenic,in-vitro GHAFRN Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccsc4)cc3c12 ZINC000036242926 581094462 /nfs/dbraw/zinc/09/44/62/581094462.db2.gz DCQDGKRFOUXALB-UHFFFAOYSA-N 0 0 387.468 3.833 1 0 GHAFRN COc1cc(CCC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC)ccc1O ZINC000085648349 291132846 /nfs/dbraw/zinc/13/28/46/291132846.db2.gz ZGCWOZJVIDCVNI-GOSISDBHSA-N 0 0 388.460 3.655 1 0 biogenic,in-vitro GHAFRN CC[NH2+]Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)cc(C)n1 ZINC000001914980 212259675 /nfs/dbraw/zinc/25/96/75/212259675.db2.gz ZOCAEHDYSJHZKX-UHFFFAOYSA-N 0 0 395.434 3.654 1 0 GHAFRN CC(=O)C1(c2ccccc2)CCN(Cn2sc3nc(C)cc(C)c3c2=O)CC1 ZINC000001659235 212252912 /nfs/dbraw/zinc/25/29/12/212252912.db2.gz JQEZGWZGQIGIKL-UHFFFAOYSA-N 0 0 395.528 3.655 1 0 GHAFRN COc1ccccc1[C@@H]1C2=C(COC2=O)OC(C)(C)Oc2cc3c(cc21)OCO3 ZINC000001643204 212252790 /nfs/dbraw/zinc/25/27/90/212252790.db2.gz ISGGFCIFHRBYMB-IBGZPJMESA-N 0 0 396.395 3.512 1 0 GHAFRN CC(=O)Oc1ccc2c(c1)O[C@@H](c1ccccc1)C[C@]21CC(C)(C)NC(=O)N1 ZINC000001025392 212206095 /nfs/dbraw/zinc/20/60/95/212206095.db2.gz ABIBKWLLMGTQIY-KNQAVFIVSA-N 0 0 380.444 3.813 3 0 GHAFRN O=S(=O)(c1ccccc1)C1(CCCN2CCN(c3ccccc3)CC2)CCC1 ZINC000028571511 212157966 /nfs/dbraw/zinc/15/79/66/212157966.db2.gz MUBDCWIYWTUMEO-UHFFFAOYSA-N 0 0 398.572 3.985 1 0 GHAFRN O=C(CN1C(=O)C(c2ccc(F)cc2)=NC12CCCC2)Nc1ccc(F)cc1 ZINC000002715869 220554549 /nfs/dbraw/zinc/55/45/49/220554549.db2.gz UUONPZUCWFVORJ-UHFFFAOYSA-N 0 0 383.398 3.505 3 0 GHAFRN COc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C4CC4)c3n2)c1 ZINC000004238449 220694827 /nfs/dbraw/zinc/69/48/27/220694827.db2.gz OOIMBUGHJJBQPV-UHFFFAOYSA-N 0 0 385.427 3.941 1 0 GHAFRN COc1ccccc1Nc1cc(C(=O)NC[C@H]2CCCO2)c2ccccc2n1 ZINC000004911768 220790025 /nfs/dbraw/zinc/79/00/25/220790025.db2.gz WZHFEEQMXQKBHU-OAHLLOKOSA-N 0 0 377.444 3.896 1 0 GHAFRN Cc1c(C(=O)N2CCCCC2)sc2ncnc(NCCc3ccccn3)c12 ZINC000011787165 221126419 /nfs/dbraw/zinc/12/64/19/221126419.db2.gz BVTNLWCLUBUEAM-UHFFFAOYSA-N 0 0 381.505 3.675 1 0 GHAFRN O=C(NCCN1Cc2ccccc2O[C@H](c2ccsc2)C1)c1cncs1 ZINC000011910028 221136519 /nfs/dbraw/zinc/13/65/19/221136519.db2.gz QVDJTJVDQLMOTC-KRWDZBQOSA-N 0 0 385.514 3.570 1 0 GHAFRN O=C1CC2(CCCC2)CCN1CCN1CCN(c2ccccc2Cl)CC1 ZINC000013560180 221272856 /nfs/dbraw/zinc/27/28/56/221272856.db2.gz BYHQOSOPNSLUAD-UHFFFAOYSA-N 0 0 375.944 3.645 1 0 GHAFRN CC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CCCC3)n1 ZINC000013560986 221272863 /nfs/dbraw/zinc/27/28/63/221272863.db2.gz YWAGLURBYTXRAR-AWEZNQCLSA-N 0 0 381.455 3.917 1 0 GHAFRN COc1ccc(-c2nnc3c4ccccc4c(=O)n(Cc4ccccc4)n23)cc1 ZINC000013559964 221272866 /nfs/dbraw/zinc/27/28/66/221272866.db2.gz ABIRJSXDDHUMAD-UHFFFAOYSA-N 0 0 382.423 3.768 1 0 GHAFRN COc1ccc2c(ccc(C(C)(C)C)c2C(=O)N(C)CC(N)=O)c1C(F)(F)F ZINC000013823609 221290414 /nfs/dbraw/zinc/29/04/14/221290414.db2.gz YPCPKTMGWWQOBA-UHFFFAOYSA-N 0 0 396.409 3.722 1 0 GHAFRN COc1ccc(C(=O)c2c(C)n(CCN3CCOC[C@@H]3C)c3ccccc32)cc1 ZINC000013742532 221287467 /nfs/dbraw/zinc/28/74/67/221287467.db2.gz XCNBUFRXWGLDCX-KRWDZBQOSA-N 0 0 392.499 3.910 1 0 GHAFRN CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Cl)c(F)ccc1-2 ZINC000013828254 221290613 /nfs/dbraw/zinc/29/06/13/221290613.db2.gz CFMUMMDHHQXEOU-LBPRGKRZSA-N 0 0 391.830 3.911 1 0 GHAFRN Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H](C3=O)[C@H]3C=C[C@@H]4[C@H]4C[C@H]43)cc2)c1 ZINC000013846069 221291719 /nfs/dbraw/zinc/29/17/19/221291719.db2.gz CSNFQULZPKOOSB-OBHIHTNZSA-N 0 0 398.462 3.805 1 0 GHAFRN CONC(=O)CC1=C(C)/C(=C/c2ccc([S@](C)=O)cc2)c2ccc(F)cc21 ZINC000013888113 221293207 /nfs/dbraw/zinc/29/32/07/221293207.db2.gz LPKYUGWFGNHHKX-NZVOUSKQSA-N 0 0 385.460 3.959 1 0 GHAFRN COc1ccc2c(c1OC)O[C@H](c1cc(OC)c(OC)c(OC)c1O)CC2 ZINC000014436003 221310441 /nfs/dbraw/zinc/31/04/41/221310441.db2.gz WULREJCBPYVGCY-ZDUSSCGKSA-N 0 0 376.405 3.502 1 0 endogenous,in-man GHAFRN COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(NC(N)=O)cc2)cc1 ZINC000014945116 221319368 /nfs/dbraw/zinc/31/93/68/221319368.db2.gz DVAKZOIIORDUJI-UHFFFAOYSA-N 0 0 375.388 3.638 1 0 GHAFRN COC(=O)c1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1F ZINC000028380189 221676071 /nfs/dbraw/zinc/67/60/71/221676071.db2.gz YMNRYTSZOBEQFB-UHFFFAOYSA-N 0 0 397.424 3.787 1 0 GHAFRN NC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F ZINC000028712151 221683097 /nfs/dbraw/zinc/68/30/97/221683097.db2.gz YXJKFEHSDJWXFA-UHFFFAOYSA-N 0 0 392.118 3.551 1 0 GHAFRN COc1cc(Cl)ccc1Cn1cnc2c1nc(C(F)(F)F)nc2N(C)C ZINC000029471486 221694011 /nfs/dbraw/zinc/69/40/11/221694011.db2.gz SKSVMQFLRMQDOB-UHFFFAOYSA-N 0 0 385.777 3.621 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2cncn2-c2ccc(Br)cc2)cc1 ZINC000053297684 222010108 /nfs/dbraw/zinc/01/01/08/222010108.db2.gz KBPJYNOYWPSPLL-UHFFFAOYSA-N 0 0 377.263 3.705 1 0 GHAFRN O=C1c2ccccc2C(=O)N1CC[C@@]1(O)c2ccccc2N=C1c1ccccc1 ZINC000061936215 222064358 /nfs/dbraw/zinc/06/43/58/222064358.db2.gz OLDWBKJCGAHGLR-XMMPIXPASA-N 0 0 382.419 3.695 3 0 GHAFRN O=C([O-])C1=CCC[N@@H+]([C@H]2CC[C@@]3(C2)c2ccccc2Cc2ccccc2C3=O)C1 ZINC000064447041 222070333 /nfs/dbraw/zinc/07/03/33/222070333.db2.gz YHPLTCSZJDWTFK-NBGIEHNGSA-N 0 0 387.479 3.981 1 0 GHAFRN O=C1C(c2ccccc2)=C(c2ccc(Br)cc2)C[C@@H]2C[C@@H](O)CN12 ZINC000084587831 222318462 /nfs/dbraw/zinc/31/84/62/222318462.db2.gz MHSNIEVEJXDUBK-DLBZAZTESA-N 0 0 384.273 3.725 1 0 GHAFRN CCNC(=O)OCc1c(C)n2c3ccccc3sc2c1COC(=O)NCC ZINC000084714696 222321725 /nfs/dbraw/zinc/32/17/25/222321725.db2.gz OORSNNKSBWQHFR-UHFFFAOYSA-N 0 0 389.477 3.955 1 0 GHAFRN COc1cccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)c1 ZINC000084729231 222321751 /nfs/dbraw/zinc/32/17/51/222321751.db2.gz TYNLXQIQTDHRRN-UHFFFAOYSA-N 0 0 394.456 3.552 1 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2Cl)[C@H]1c1ccccc1 ZINC000095570494 222356909 /nfs/dbraw/zinc/35/69/09/222356909.db2.gz TYOAVIIXHGCKKI-SFHVURJKSA-N 0 0 391.876 3.575 3 0 GHAFRN O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCC[C@H](CCc2ccc(F)cc2)O1 ZINC000103146808 222490140 /nfs/dbraw/zinc/49/01/40/222490140.db2.gz OGRLDQAOPUJFCF-JDGPEGMASA-N 0 0 388.479 3.714 1 0 GHAFRN O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12c1ccccc1 ZINC000103226432 222492406 /nfs/dbraw/zinc/49/24/06/222492406.db2.gz RDSYLVNSMMDBBS-QHCPKHFHSA-N 0 0 390.389 3.778 1 0 GHAFRN CC1(C)Oc2cc(N3C4CC5CC3CC(C4)O5)cc(O)c2[C@@H]2C[C@@H](O)CC[C@H]21 ZINC000058540779 535004931 /nfs/dbraw/zinc/00/49/31/535004931.db2.gz WBXCUQWWPZCILV-VUBGUDATSA-N 0 0 385.504 3.706 1 0 GHAFRN Cc1c2ccccc2sc1CC(=O)N1CCc2cccc3c2[C@@H]1CNC3=O ZINC000045340143 581093065 /nfs/dbraw/zinc/09/30/65/581093065.db2.gz APLPMDTYLNNONS-KRWDZBQOSA-N 0 0 376.481 3.622 1 0 GHAFRN CCC(C)(C)C(=O)C(=O)N1[C@@H](C(=O)OCCCc2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000027302582 581098038 /nfs/dbraw/zinc/09/80/38/581098038.db2.gz IQEOVMKUVVEMRJ-CEXWTWQISA-N 0 0 385.504 3.547 1 0 GHAFRN O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1ccccn1 ZINC000001848184 212259141 /nfs/dbraw/zinc/25/91/41/212259141.db2.gz FVJRLWOXIGGBQF-UHFFFAOYSA-N 0 0 375.815 3.860 1 0 GHAFRN O[C@@H](c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026008880 212158746 /nfs/dbraw/zinc/15/87/46/212158746.db2.gz CUSOKRAHVMJAMY-IRXDYDNUSA-N 0 0 398.677 3.860 1 0 GHAFRN COc1ccc(COC[C@H](Cn2ccnc2)OCc2ccc(OC)cc2)cc1 ZINC000005115760 212146614 /nfs/dbraw/zinc/14/66/14/212146614.db2.gz ZLIIQVXHJXBQEO-QFIPXVFZSA-N 0 0 382.460 3.703 1 0 GHAFRN CC[C@@H](C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@@H]1OC(C)=O ZINC000006411692 212116264 /nfs/dbraw/zinc/11/62/64/212116264.db2.gz CVCGZZMJIGSWHX-CXWAGAITSA-N 0 0 388.416 3.526 1 0 GHAFRN Cc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)no2)cc1 ZINC000002910786 220583634 /nfs/dbraw/zinc/58/36/34/220583634.db2.gz NXWJYKOQIRPDQB-GOSISDBHSA-N 0 0 397.500 3.922 3 0 GHAFRN CCN(CC)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000004800099 220766208 /nfs/dbraw/zinc/76/62/08/220766208.db2.gz CEGHARKYJREUAY-RBBKRZOGSA-N 0 0 396.487 3.666 3 0 GHAFRN Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)Nc1ccc(Br)c(C)c1)O2 ZINC000006805759 220965024 /nfs/dbraw/zinc/96/50/24/220965024.db2.gz LMSKKVDBWQAUTF-INIZCTEOSA-N 0 0 389.249 3.794 3 0 GHAFRN CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(CO)cnc32)CC1 ZINC000011495142 221115861 /nfs/dbraw/zinc/11/58/61/221115861.db2.gz MEWHFGOCTSSITK-UHFFFAOYSA-N 0 0 382.891 3.770 1 0 GHAFRN Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c(C)o1 ZINC000012200916 221166338 /nfs/dbraw/zinc/16/63/38/221166338.db2.gz JJELCOXJQWOKTH-LJQANCHMSA-N 0 0 397.519 3.625 1 0 GHAFRN CCCn1c2nc(/C=C/c3ccc(Cl)cc3)n(C)c2c(=O)n(CCC)c1=O ZINC000012405393 221188538 /nfs/dbraw/zinc/18/85/38/221188538.db2.gz ZPJUNXOZGNTJJS-DHZHZOJOSA-N 0 0 386.883 3.541 1 0 GHAFRN CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNC(=O)c1ccccc1 ZINC000013590024 221275761 /nfs/dbraw/zinc/27/57/61/221275761.db2.gz JBWQCOJOFRWVNE-GCJKJVERSA-N 0 0 381.545 3.877 1 0 GHAFRN CCCC[C@H](NC(=O)OC(CC)CC)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013589443 221276070 /nfs/dbraw/zinc/27/60/70/221276070.db2.gz UYFQLBXMYQOINR-QAPCUYQASA-N 0 0 376.497 3.907 1 0 GHAFRN CCCC[C@@H](CCCCNC(=O)c1cc2cc(C(N)=[NH2+])ccc2[nH]1)CC(=O)[O-] ZINC000013764949 221287861 /nfs/dbraw/zinc/28/78/61/221287861.db2.gz ASGXALYIPRYSHT-AWEZNQCLSA-N 0 0 386.496 3.633 1 0 GHAFRN C=CC(=O)N(C)c1cc2c(cn1)ncnc2Nc1cccc(Br)c1 ZINC000013861814 221292016 /nfs/dbraw/zinc/29/20/16/221292016.db2.gz RCWLMTHCAVCUFY-UHFFFAOYSA-N 0 0 384.237 3.680 1 0 GHAFRN O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccc2)n1 ZINC000014974774 221322968 /nfs/dbraw/zinc/32/29/68/221322968.db2.gz DENJPOISBSHUGX-UHFFFAOYSA-N 0 0 382.466 3.626 1 0 GHAFRN Cn1cc(-c2ccc(N3CCC(N4CCc5cc(Cl)ccc54)CC3)nn2)cn1 ZINC000103242982 136191079 /nfs/dbraw/zinc/19/10/79/136191079.db2.gz IJGWCBRJPINXQV-UHFFFAOYSA-N 0 0 394.910 3.562 1 0 GHAFRN CCOC(=O)N1CCN(C2=Nc3ccccc3Cn3c2cc2ccccc23)CC1 ZINC000034072399 221798839 /nfs/dbraw/zinc/79/88/39/221798839.db2.gz SCCIIIDWBJFRRB-UHFFFAOYSA-N 0 0 388.471 3.855 1 0 GHAFRN CNC(=O)C[C@@H](c1ccccc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000034987600 221811776 /nfs/dbraw/zinc/81/17/76/221811776.db2.gz NVIKCWYPJJVZMW-UNMCSNQZSA-N 0 0 381.520 3.731 1 0 GHAFRN C/C=C1\C[C@@H]2CC[C@H]3c4c(cccc4OC)N[C@@H]3[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000040393245 221921280 /nfs/dbraw/zinc/92/12/80/221921280.db2.gz PGOBOWWFWXOGHZ-NGFQULKZSA-N 0 0 385.504 3.737 1 0 GHAFRN N=C1SC(=Cc2n[nH]nc2-c2ccc(Cl)cc2)C(=O)N1c1nccs1 ZINC000040423025 221922521 /nfs/dbraw/zinc/92/25/21/221922521.db2.gz OGYPXDXBTRFHCY-HGWDMYKUSA-N 0 0 388.865 3.637 1 0 GHAFRN OCCN1CCN(C2=Nc3ccc(Cl)cc3CC=C2c2ccccc2)CC1 ZINC000053045596 222008033 /nfs/dbraw/zinc/00/80/33/222008033.db2.gz BDUGRBVOJXYJOL-UHFFFAOYSA-N 0 0 381.907 3.620 1 0 GHAFRN COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2[nH]c(C(C)C)nc21 ZINC000053156605 222008337 /nfs/dbraw/zinc/00/83/37/222008337.db2.gz ACVHTZRYROUGLO-UHFFFAOYSA-N 0 0 395.246 3.887 1 0 GHAFRN C[C@](O)(c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1ccc(F)c(F)c1 ZINC000061929813 222063820 /nfs/dbraw/zinc/06/38/20/222063820.db2.gz UIISLLUPGABHKX-GOSISDBHSA-N 0 0 395.452 3.748 3 0 GHAFRN C[C@]1(C(=O)NCc2cccs2)Cc2c(nccc2-c2ccc3c(c2)OCO3)O1 ZINC000061925643 222064536 /nfs/dbraw/zinc/06/45/36/222064536.db2.gz GDWNEFBWOOBHLO-OAQYLSRUSA-N 0 0 394.452 3.549 3 0 GHAFRN CC(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000061930325 222064704 /nfs/dbraw/zinc/06/47/04/222064704.db2.gz PNVFBBPVJBCMBW-HSZRJFAPSA-N 0 0 394.471 3.711 3 0 GHAFRN O=C([O-])C1(O)CC[NH+]([C@H]2CC[C@@]3(C2)Cc2ccccc2Cc2ccccc23)CC1 ZINC000064448141 222070161 /nfs/dbraw/zinc/07/01/61/222070161.db2.gz IYAJUPFWKMPDJJ-URXFXBBRSA-N 0 0 391.511 3.535 1 0 GHAFRN O=C(Nc1ccc(I)cc1)c1coc2ccccc2c1=O ZINC000066112269 222137231 /nfs/dbraw/zinc/13/72/31/222137231.db2.gz YBVRKIFSPHOAAG-UHFFFAOYSA-N 0 0 391.164 3.650 1 0 GHAFRN COc1cc2c(cc1OC)n(CC1CC1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000066111710 222138146 /nfs/dbraw/zinc/13/81/46/222138146.db2.gz BWFNLNGMMJHKIC-UHFFFAOYSA-N 0 0 377.440 3.968 1 0 GHAFRN COc1c(OCC2CC2)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 ZINC000072118283 222207581 /nfs/dbraw/zinc/20/75/81/222207581.db2.gz YTUNBRIKVNISRV-KRWDZBQOSA-N 0 0 379.456 3.965 1 0 GHAFRN C[C@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072177812 222216070 /nfs/dbraw/zinc/21/60/70/222216070.db2.gz LKTRGGYWYHEIGU-RHSMWYFYSA-N 0 0 383.803 3.759 1 0 GHAFRN CC1(C)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C[C@H]1O ZINC000072175102 222216216 /nfs/dbraw/zinc/21/62/16/222216216.db2.gz CMEPYQARTSTIIY-MRXNPFEDSA-N 0 0 377.234 3.743 1 0 GHAFRN O=C(Nc1nc2ccccc2s1)c1ccc2cc3n(c2c1)CCCNC3=O ZINC000073222481 222268923 /nfs/dbraw/zinc/26/89/23/222268923.db2.gz KWQKAUUPWOCABB-UHFFFAOYSA-N 0 0 376.441 3.637 1 0 GHAFRN CN1C(=N)N[C@@](c2ccncc2)(c2cccc(-c3cccc(Cl)c3)c2)C1=O ZINC000084605148 222318203 /nfs/dbraw/zinc/31/82/03/222318203.db2.gz WQDRKRNUWIGAKB-NRFANRHFSA-N 0 0 376.847 3.642 1 0 GHAFRN Clc1ccc(C2=NCc3c(-c4nn[nH]n4)ncn3-c3ccc(Cl)cc32)cc1 ZINC000095555833 222354065 /nfs/dbraw/zinc/35/40/65/222354065.db2.gz OMSPQHRJXKVWKN-UHFFFAOYSA-N 0 0 396.241 3.710 1 0 GHAFRN CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C)C(=O)c1cc(OC)ccc12 ZINC000095566370 222356049 /nfs/dbraw/zinc/35/60/49/222356049.db2.gz YQQIPFYRYARPMM-NQIIRXRSSA-N 0 0 385.847 3.533 3 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000095566284 222356329 /nfs/dbraw/zinc/35/63/29/222356329.db2.gz GTABQMMLGDUGKY-GOSISDBHSA-N 0 0 391.876 3.575 3 0 GHAFRN COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCC2)[C@@H](CO)N3)c1 ZINC000095569075 222356523 /nfs/dbraw/zinc/35/65/23/222356523.db2.gz CNVMPDOGNAGJNR-UEVCKROQSA-N 0 0 392.499 3.838 1 0 GHAFRN O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1Cc1ccc(F)cc1 ZINC000095605743 222358904 /nfs/dbraw/zinc/35/89/04/222358904.db2.gz XEKISJPPWYCXKL-NRFANRHFSA-N 0 0 399.429 3.606 3 0 GHAFRN COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1cccc(OC)c1 ZINC000095604876 222359804 /nfs/dbraw/zinc/35/98/04/222359804.db2.gz RPAHOHAPITWFKJ-IBGZPJMESA-N 0 0 382.485 3.574 3 0 GHAFRN CC(C)(C)n1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2cccnc21 ZINC000072323111 534944744 /nfs/dbraw/zinc/94/47/44/534944744.db2.gz UXFTVTYPKIFQDC-UHFFFAOYSA-N 0 0 380.467 3.893 2 0 GHAFRN CCCCC/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCCC(=O)OC(CO)CO ZINC000085588803 571783679 /nfs/dbraw/zinc/78/36/79/571783679.db2.gz SSHLWLAPLZCWOT-XYOZOUKRSA-N 0 0 394.552 3.999 1 0 endogenous,in-man GHAFRN CC(C)=CC(=O)O[C@@H](COc1c2ccoc2cc2oc(=O)ccc21)C(C)(C)O ZINC000013374933 291131076 /nfs/dbraw/zinc/13/10/76/291131076.db2.gz QHXNZEMYHBMVSA-KRWDZBQOSA-N 0 0 386.400 3.567 1 0 biogenic,in-vitro GHAFRN C[C@H](c1ccccc1)N1CCc2nc(=O)n3cc(-c4ccccc4F)[nH]c3c2C1 ZINC000000604785 212164649 /nfs/dbraw/zinc/16/46/49/212164649.db2.gz JSMICUILTXDMCV-OAHLLOKOSA-N 0 0 388.446 3.948 1 0 GHAFRN CCNc1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1 ZINC000004238611 220696775 /nfs/dbraw/zinc/69/67/75/220696775.db2.gz GIAMVRDVQAQVCG-UHFFFAOYSA-N 0 0 377.473 3.590 1 0 GHAFRN C[C@H](Sc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)NC[C@@H]1CCCO1 ZINC000009643461 221087509 /nfs/dbraw/zinc/08/75/09/221087509.db2.gz GBRAFFJMSGOOER-AVGNSLFASA-N 0 0 391.562 3.592 1 0 GHAFRN COc1cc(CN2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)c(Cl)cc1O ZINC000011821601 221129485 /nfs/dbraw/zinc/12/94/85/221129485.db2.gz RRJFZHJVYOPELD-OAHLLOKOSA-N 0 0 390.867 3.859 1 0 GHAFRN O=C(CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)NC1CCOCC1 ZINC000012053886 221145790 /nfs/dbraw/zinc/14/57/90/221145790.db2.gz BJUWQJYTTUAKQE-UHFFFAOYSA-N 0 0 377.444 3.631 1 0 GHAFRN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000013589434 221275220 /nfs/dbraw/zinc/27/52/20/221275220.db2.gz PEMFBGKEQIBRQV-WBVHZDCISA-N 0 0 376.497 3.859 1 0 GHAFRN COc1cccc2c(=O)[nH]c(CCC[N@H+]3CC=C(c4ccccc4)CC3)nc12 ZINC000013581558 221275913 /nfs/dbraw/zinc/27/59/13/221275913.db2.gz NIJHFZZPGQHQSK-UHFFFAOYSA-N 0 0 375.472 3.654 1 0 GHAFRN O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ccccn1 ZINC000013584932 221276025 /nfs/dbraw/zinc/27/60/25/221276025.db2.gz USYDGTLOPLIFMI-UHFFFAOYSA-N 0 0 391.814 3.784 1 0 GHAFRN Cc1ccc2c(c1)nc(Nc1ccccc1I)oc2=O ZINC000013779148 221287801 /nfs/dbraw/zinc/28/78/01/221287801.db2.gz AAGGENJJHKGQRB-UHFFFAOYSA-N 0 0 378.169 3.845 1 0 GHAFRN COc1ccc(C(=O)c2c(Cl)n(CCN3CCOCC3)c3ccccc32)cc1 ZINC000013742539 221286310 /nfs/dbraw/zinc/28/63/10/221286310.db2.gz UBIRDMBMHCMKGV-UHFFFAOYSA-N 0 0 398.890 3.867 1 0 GHAFRN O=C(Nc1cccc(C(=O)c2ccccc2)c1)[C@@H]1CS[C@H](c2cccnc2)N1 ZINC000013737571 221287377 /nfs/dbraw/zinc/28/73/77/221287377.db2.gz GODKDFFNZRYHBY-SIKLNZKXSA-N 0 0 389.480 3.655 1 0 GHAFRN CC(C)(C)n1ncc2c1ncn(Cc1ccc(C(=O)c3ccccc3)cc1)c2=O ZINC000013831309 221291560 /nfs/dbraw/zinc/29/15/60/221291560.db2.gz DCLGQBJUGXKVBQ-UHFFFAOYSA-N 0 0 386.455 3.627 1 0 GHAFRN Cc1cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1 ZINC000013861592 221291610 /nfs/dbraw/zinc/29/16/10/221291610.db2.gz ICEKYYLCCSJYQL-UHFFFAOYSA-N 0 0 381.432 3.914 1 0 GHAFRN CCOc1ccc(C(=O)N2CCC(N3c4ccccc4CCC3=O)CC2)cc1 ZINC000013832043 221292252 /nfs/dbraw/zinc/29/22/52/221292252.db2.gz VNILDMRWMFJETB-UHFFFAOYSA-N 0 0 378.472 3.669 1 0 GHAFRN CCN1CCN(c2cc3nc(C(=O)[C@@]4(C)CC[C@@](C)(O)CC4)[nH]c3cc2C)CC1 ZINC000101790837 136189970 /nfs/dbraw/zinc/18/99/70/136189970.db2.gz VFJSIUCAFBFZLS-YHBQERECSA-N 0 0 398.551 3.527 1 0 GHAFRN CCOC(=O)c1c[nH]c2ccc3c(c21)CN1CCc2cc(OC)ccc2[C@H]1O3 ZINC000026156861 221636032 /nfs/dbraw/zinc/63/60/32/221636032.db2.gz ZFQPOANUZSLNNR-OAQYLSRUSA-N 0 0 378.428 3.803 1 0 GHAFRN C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000033821254 221797882 /nfs/dbraw/zinc/79/78/82/221797882.db2.gz NHQFQVZFFMNMRP-UZVSRGJWSA-N 0 0 391.596 3.879 1 0 GHAFRN Cc1cccc(-c2nsc(N3CCN(C(=O)Nc4ccccc4)CC3)n2)c1 ZINC000034838171 221806242 /nfs/dbraw/zinc/80/62/42/221806242.db2.gz SXNPCJCDLDAYJJ-UHFFFAOYSA-N 0 0 379.489 3.868 1 0 GHAFRN O=C(Nc1ccc(F)cc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000034841711 221806743 /nfs/dbraw/zinc/80/67/43/221806743.db2.gz SPTYHRPCOFSFGY-UHFFFAOYSA-N 0 0 383.452 3.698 1 0 GHAFRN CCOC(=O)c1c(C(=O)OCC)c2c3ccccc3cc(C)n2c1C(=O)OC ZINC000036381614 221856081 /nfs/dbraw/zinc/85/60/81/221856081.db2.gz CTSKXXSUGGBYRR-UHFFFAOYSA-N 0 0 383.400 3.541 1 0 GHAFRN O=C1OCC2=C1[C@@H](c1cccc(Br)c1)c1cc3c(cc1O2)OCO3 ZINC000040404761 221922277 /nfs/dbraw/zinc/92/22/77/221922277.db2.gz MWLUACUBSBTHGC-INIZCTEOSA-N 0 0 387.185 3.513 1 0 GHAFRN CN(C)C(=O)N1Cc2c(Br)cccc2[C@H](c2cccc(O)c2)C1 ZINC000040556760 221927537 /nfs/dbraw/zinc/92/75/37/221927537.db2.gz IMPWUTKVTMDXIN-HNNXBMFYSA-N 0 0 375.266 3.784 1 0 GHAFRN O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC000043020719 221947090 /nfs/dbraw/zinc/94/70/90/221947090.db2.gz VJCACPMAAVZCPB-RTBURBONSA-N 0 0 389.459 3.577 1 0 GHAFRN COc1cccc(OC)c1[C@@H]1SCC(=O)N1c1cc(Br)ccn1 ZINC000045496578 221963146 /nfs/dbraw/zinc/96/31/46/221963146.db2.gz VETSLUBUXUFMLZ-INIZCTEOSA-N 0 0 395.278 3.640 1 0 GHAFRN Cn1c(C(=O)c2ccc3nc(NC(=O)C(F)(F)F)cn3c2)cc2ccccc21 ZINC000049089443 221996700 /nfs/dbraw/zinc/99/67/00/221996700.db2.gz FCINZCIFXREYPV-UHFFFAOYSA-N 0 0 386.333 3.558 1 0 GHAFRN CO[C@]1(C)CCc2c(c3c(c4c2O[C@](C)(OC)CC4)O[C@](C)(OC)CC3)O1 ZINC000053297740 222009154 /nfs/dbraw/zinc/00/91/54/222009154.db2.gz ICDPYUGQIRPYQX-ACRUOGEOSA-N 0 0 378.465 3.749 1 0 GHAFRN COc1ccc(NC(=O)c2cc([C@@H]3CCCCN3C(=O)C3CC3)on2)c(C)c1 ZINC000061906382 222062437 /nfs/dbraw/zinc/06/24/37/222062437.db2.gz ARAANUWASPZQML-SFHVURJKSA-N 0 0 383.448 3.708 3 0 GHAFRN CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccccc2)O3)cc1 ZINC000061895915 222062637 /nfs/dbraw/zinc/06/26/37/222062637.db2.gz QYUZHNVUYCEJST-XMMPIXPASA-N 0 0 387.483 3.825 3 0 GHAFRN CC(C)(C)S(=O)(=O)N1C[C@@H]2CCC=CCC(c3ccccc3)=C2[C@H]1CCO ZINC000061943334 222064218 /nfs/dbraw/zinc/06/42/18/222064218.db2.gz HOSYISPMBHEUBV-AZUAARDMSA-N 0 0 389.561 3.991 3 0 GHAFRN O=C1c2ccccc2C(=O)N1CC[C@]1(O)c2ccccc2N=C1c1ccccc1 ZINC000061936217 222064541 /nfs/dbraw/zinc/06/45/41/222064541.db2.gz OLDWBKJCGAHGLR-DEOSSOPVSA-N 0 0 382.419 3.695 3 0 GHAFRN CC(=O)N[C@@H]1CCC[C@@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1 ZINC000063539710 222067154 /nfs/dbraw/zinc/06/71/54/222067154.db2.gz SKKRZILJUKYLJS-CHWSQXEVSA-N 0 0 384.871 3.533 1 0 GHAFRN O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2cncn2)nc1 ZINC000064513665 222072525 /nfs/dbraw/zinc/07/25/25/222072525.db2.gz ZEEMSSCRMRQGRO-UHFFFAOYSA-N 0 0 376.807 3.630 1 0 GHAFRN O=C(Nc1ncccn1)c1oc2cnccc2c1Nc1ccc(Cl)c(O)c1 ZINC000066073616 222136613 /nfs/dbraw/zinc/13/66/13/222136613.db2.gz WJDMYVBMQQULTP-UHFFFAOYSA-N 0 0 381.779 3.973 1 0 GHAFRN CCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1 ZINC000066102025 222137767 /nfs/dbraw/zinc/13/77/67/222137767.db2.gz FPGLLUINTXSLFA-UHFFFAOYSA-N 0 0 391.383 3.617 1 0 GHAFRN CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)N[C@@H](C)CC(=O)S2 ZINC000066259715 222139646 /nfs/dbraw/zinc/13/96/46/222139646.db2.gz XYGJGOKPPOFRPG-LBPRGKRZSA-N 0 0 376.503 3.873 1 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 ZINC000072124414 222208260 /nfs/dbraw/zinc/20/82/60/222208260.db2.gz KBPUSHOEZBMURE-NRFANRHFSA-N 0 0 399.512 3.793 3 0 GHAFRN Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]4CCC[C@H]([C@@H]2CCCC(=O)[O-])[C@H]34)cc1 ZINC000072182904 222217379 /nfs/dbraw/zinc/21/73/79/222217379.db2.gz CHEWSSZPFNZVQM-IIZPIQPGSA-N 0 0 384.520 3.565 1 0 GHAFRN Cn1ccnc1CN1CCC2(CC1)c1ccccc1N(c1cccs1)C2=O ZINC000084655197 222319274 /nfs/dbraw/zinc/31/92/74/222319274.db2.gz KFABNFBCYRHTEI-UHFFFAOYSA-N 0 0 378.501 3.694 1 0 GHAFRN CCOc1ccncc1NC(=O)c1ccnc2[nH]c(-c3ccc(F)cc3)nc21 ZINC000084668647 222320200 /nfs/dbraw/zinc/32/02/00/222320200.db2.gz KONUVNNRPCDKBD-UHFFFAOYSA-N 0 0 377.379 3.810 1 0 GHAFRN CCOC(=O)C1=C(C)NC(=O)N(P(=O)(OCC)OCC)[C@H]1c1ccccc1 ZINC000084729183 222322002 /nfs/dbraw/zinc/32/20/02/222322002.db2.gz DYXMAAUVIFJPOE-INIZCTEOSA-N 0 0 396.380 3.771 1 0 GHAFRN CC(C)n1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1 ZINC000095560925 222355072 /nfs/dbraw/zinc/35/50/72/222355072.db2.gz MLWMBKMQVQOSSC-UHFFFAOYSA-N 0 0 397.527 3.593 1 0 GHAFRN CN1C(=N)N[C@@]2(CC(C)(C)Oc3ccc(-c4cc(Cl)ccc4F)cc32)C1=O ZINC000095603519 222359977 /nfs/dbraw/zinc/35/99/77/222359977.db2.gz OUCIAEQJBJEZJE-HXUWFJFHSA-N 0 0 387.842 3.689 1 0 GHAFRN CCOC(=O)c1nn(C(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc21 ZINC000096273869 222408025 /nfs/dbraw/zinc/40/80/25/222408025.db2.gz WPRRNTBLKAQOIS-UHFFFAOYSA-N 0 0 378.306 3.800 1 0 GHAFRN Cn1c(O)c2nc3ccccc3c-2nc1SCC(=O)Nc1cccc(F)c1 ZINC000100616847 222459718 /nfs/dbraw/zinc/45/97/18/222459718.db2.gz DSPBIROARNBTGW-UHFFFAOYSA-N 0 0 382.420 3.649 1 0 GHAFRN COc1ccc([C@@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)cc32)cc1OC ZINC000100873114 222464345 /nfs/dbraw/zinc/46/43/45/222464345.db2.gz WQMKLXGDGCQPMJ-IBGZPJMESA-N 0 0 383.400 3.739 1 0 GHAFRN CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@](C)(OC(C)=O)C3=O ZINC000169342952 222535936 /nfs/dbraw/zinc/53/59/36/222535936.db2.gz LRURMFCYMBZJGR-JOCHJYFZSA-N 0 0 398.411 3.784 1 0 GHAFRN COc1ccc([C@H]2c3c(ccc4ccccc43)O[C@@H]3NC(=S)N=C(N)[C@H]32)cc1 ZINC000195399000 222566501 /nfs/dbraw/zinc/56/65/01/222566501.db2.gz UXKXKYXXXUUSRZ-DSKINZAPSA-N 0 0 389.480 3.560 1 0 GHAFRN COC(=O)C1=C[C@@H]([C@H](C)[C@H](OC)c2ccccc2Br)[C@H]2OCC[C@@H]12 ZINC000195471546 222567205 /nfs/dbraw/zinc/56/72/05/222567205.db2.gz FFAUBCGVXAVMOB-YKRRISCLSA-N 0 0 395.293 3.907 1 0 GHAFRN CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)OCCCCc1ccccc1 ZINC000027216545 581098039 /nfs/dbraw/zinc/09/80/39/581098039.db2.gz FPVPWXNISWCTPJ-AABGKKOBSA-N 0 0 399.531 3.937 1 0 GHAFRN C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@H]3OC(=O)C(C)=C3[C@@H](OCC)[C@]2(C)[C@H]1C ZINC000095909476 291129664 /nfs/dbraw/zinc/12/96/64/291129664.db2.gz YXHQOCKIXIPQNA-MVFGYMCVSA-N 0 0 376.493 3.968 1 0 biogenic,in-vitro GHAFRN CC(=O)O[C@H](C(=O)c1ccoc1)[C@]1(C)[C@H](C)C[C@@H]2OC(=O)[C@@H]3CCC[C@H]1[C@]32C ZINC000103549979 291131078 /nfs/dbraw/zinc/13/10/78/291131078.db2.gz GZALYABYTBSTNG-AWJTVWBKSA-N 0 0 388.460 3.788 1 0 biogenic,in-vitro GHAFRN CCCCC[C@H](CC(=O)CCc1cc(OC)c(O)cc1C[NH2+]C)OC(C)=O ZINC000085624751 291131573 /nfs/dbraw/zinc/13/15/73/291131573.db2.gz IKQQUJLKEVYKOC-LJQANCHMSA-N 0 0 379.497 3.524 1 0 biogenic,in-vitro GHAFRN O[C@@H](c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 ZINC000026009450 212158482 /nfs/dbraw/zinc/15/84/82/212158482.db2.gz ZWMMBCBECWZTJT-IRXDYDNUSA-N 0 0 398.677 3.860 1 0 GHAFRN COc1ccccc1C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc21 ZINC000013742503 212149353 /nfs/dbraw/zinc/14/93/53/212149353.db2.gz VBIWOMKMKKGIHH-UHFFFAOYSA-N 0 0 378.472 3.522 1 0 GHAFRN CC[C@@H](C)Nc1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000006411769 212147339 /nfs/dbraw/zinc/14/73/39/212147339.db2.gz FNOGUIRRCQITHA-MRXNPFEDSA-N 0 0 377.492 3.736 1 0 GHAFRN CC[C@H](C)n1c(=O)c2sccc2nc1SCc1cc(=O)n2ccccc2n1 ZINC000002925296 220585543 /nfs/dbraw/zinc/58/55/43/220585543.db2.gz RJVLHEDRVOJKOG-LBPRGKRZSA-N 0 0 398.513 3.729 1 0 GHAFRN CCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000004965643 220801560 /nfs/dbraw/zinc/80/15/60/220801560.db2.gz FPMNVDXYTRVJLP-SFHVURJKSA-N 0 0 381.476 3.646 3 0 GHAFRN C[C@@H](Sc1ncnc2sc3c(c21)CC[C@H](C)C3)C(=O)NC[C@@H]1CCCO1 ZINC000009643471 221088074 /nfs/dbraw/zinc/08/80/74/221088074.db2.gz GBRAFFJMSGOOER-XQQFMLRXSA-N 0 0 391.562 3.592 1 0 GHAFRN COc1ccc(OC)c([C@H]2CC(=O)[C@H](C)[C@@H](c3cc(OC)ccc3OC)N2)c1 ZINC000013154611 221263195 /nfs/dbraw/zinc/26/31/95/221263195.db2.gz CAALLLAIWXMQTP-CYYCYGDNSA-N 0 0 385.460 3.702 1 0 GHAFRN CCOCCNc1c2cnn(/C=C/c3ccccc3)c2ncc1C(=O)OCC ZINC000013491861 221269940 /nfs/dbraw/zinc/26/99/40/221269940.db2.gz UOSIOJZPDJHMAH-ZRDIBKRKSA-N 0 0 380.448 3.684 1 0 GHAFRN CCOc1cc2ncnc(Nc3cccc(-c4nc[nH]n4)c3)c2cc1OCC ZINC000013490802 221270332 /nfs/dbraw/zinc/27/03/32/221270332.db2.gz WGTILZRWWWHQLO-UHFFFAOYSA-N 0 0 376.420 3.956 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=O)c2-c2ccncc2)cc1 ZINC000013487294 221270384 /nfs/dbraw/zinc/27/03/84/221270384.db2.gz HTZYWIIHXCCLHF-UHFFFAOYSA-N 0 0 377.421 3.926 1 0 GHAFRN COC(=O)CN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O ZINC000013532016 221272312 /nfs/dbraw/zinc/27/23/12/221272312.db2.gz GAHXUMGTOQYQMW-UHFFFAOYSA-N 0 0 399.244 3.660 1 0 GHAFRN CC(C)c1nc(-c2ncn3c2CN(C(=O)N2CCCC2)c2ccccc2-3)no1 ZINC000013745335 221286650 /nfs/dbraw/zinc/28/66/50/221286650.db2.gz CLLGKMQLNGXZPL-UHFFFAOYSA-N 0 0 378.436 3.582 1 0 GHAFRN Cc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1 ZINC000013812818 221290778 /nfs/dbraw/zinc/29/07/78/221290778.db2.gz QTNCGRLVLIWKLU-UHFFFAOYSA-N 0 0 381.379 3.665 1 0 GHAFRN C[C@H]1[C@H](N2CCCC2)Oc2cc3c(cc2[C@@H]1c1ccc2c(c1)OCO2)OCO3 ZINC000016958571 221374522 /nfs/dbraw/zinc/37/45/22/221374522.db2.gz HUHDVMDXIICRPL-BGUDKVOASA-N 0 0 381.428 3.726 1 0 GHAFRN O=C(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCOCC1 ZINC000029055202 221688124 /nfs/dbraw/zinc/68/81/24/221688124.db2.gz YTGUIZSEZJBJRX-UHFFFAOYSA-N 0 0 387.435 3.832 1 0 GHAFRN CCCCC[C@@H](O)/C=C/c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC ZINC000029127674 221690662 /nfs/dbraw/zinc/69/06/62/221690662.db2.gz CHUQDPKHYXGMEB-IQOAYPBESA-N 0 0 390.520 3.719 1 0 GHAFRN COc1ccc2[nH]c([S@@](=O)Cc3nccc(N4CCCC4)c3Cl)nc2c1 ZINC000029570816 221695707 /nfs/dbraw/zinc/69/57/07/221695707.db2.gz GWQDLMGMPJXKKN-AREMUKBSSA-N 0 0 390.896 3.528 1 0 GHAFRN COc1cc2c(cc1OC)[C@@H]1[C@H](O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 ZINC000034167149 221799053 /nfs/dbraw/zinc/79/90/53/221799053.db2.gz IJAQBPQREYMUET-QHAWAJNXSA-N 0 0 396.439 3.859 1 0 GHAFRN CSc1nc2sc(C(=O)NC(C)(C)C)c(N)c2c(-c2cccc(O)c2)n1 ZINC000038157696 221877830 /nfs/dbraw/zinc/87/78/30/221877830.db2.gz KORCEMCZKYMFIO-UHFFFAOYSA-N 0 0 388.518 3.896 1 0 GHAFRN O=C(Nc1cc(-c2ccccc2)[nH]n1)C1CCC2(CC1)OC(=O)c1cccnc12 ZINC000045349887 221961647 /nfs/dbraw/zinc/96/16/47/221961647.db2.gz SDRIRBSAZJXVKD-UHFFFAOYSA-N 0 0 388.427 3.666 1 0 GHAFRN O=C(Nc1[nH]nc2ncc(Br)cc21)c1ccc(C(F)(F)F)cc1 ZINC000053294778 222010027 /nfs/dbraw/zinc/01/00/27/222010027.db2.gz WRIXKIVNSXIBCK-UHFFFAOYSA-N 0 0 385.143 3.992 1 0 GHAFRN Cc1cc(C(N)=O)nn1-c1ccc(F)c(-c2ccccc2OC(F)(F)F)c1 ZINC000058638830 222054413 /nfs/dbraw/zinc/05/44/13/222054413.db2.gz AWSUASBKQXBDMZ-UHFFFAOYSA-N 0 0 379.313 3.984 1 0 GHAFRN O=C(Nc1c(F)cccc1F)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000062178759 222066307 /nfs/dbraw/zinc/06/63/07/222066307.db2.gz IYGKPBRLQXILEX-WVMBZCLNSA-N 0 0 394.377 3.529 1 0 GHAFRN FC(F)(F)c1ccc(Nc2ncnc3c2CCN(c2ncccn2)CC3)cc1 ZINC000064559311 222073508 /nfs/dbraw/zinc/07/35/08/222073508.db2.gz KTLSTXOTTQMHEI-UHFFFAOYSA-N 0 0 386.381 3.634 1 0 GHAFRN Cc1cc(C2CCN(Cc3nc4ccccc4n3C)CC2)nc(N2CCCC2)n1 ZINC000071316809 222180083 /nfs/dbraw/zinc/18/00/83/222180083.db2.gz GXBOKAUMNGPGAR-UHFFFAOYSA-N 0 0 390.535 3.652 1 0 GHAFRN Cc1ccc(NN2C(=O)O[C@](C)(c3ccc(Br)nc3)C2=O)c(C)c1 ZINC000072105403 222205251 /nfs/dbraw/zinc/20/52/51/222205251.db2.gz RJQKGYCVTBDKCK-QGZVFWFLSA-N 0 0 390.237 3.682 1 0 GHAFRN COc1ccc(N2C[C@@H](CSC)[C@H](CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000072137823 222210766 /nfs/dbraw/zinc/21/07/66/222210766.db2.gz QEOVPYFLYJVFPJ-KXBFYZLASA-N 0 0 384.501 3.666 1 0 GHAFRN COc1ccc(N2C[C@H](CSC)[C@H](CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000072137822 222211386 /nfs/dbraw/zinc/21/13/86/222211386.db2.gz QEOVPYFLYJVFPJ-BEFAXECRSA-N 0 0 384.501 3.666 1 0 GHAFRN COC(C)(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn21 ZINC000084732363 222322216 /nfs/dbraw/zinc/32/22/16/222322216.db2.gz ICINWIVXHDIUTM-UHFFFAOYSA-N 0 0 382.439 3.618 1 0 GHAFRN COc1ccc(Nc2ncc3c(n2)-c2ccc(F)cc2NC(=O)C3)cc1OC ZINC000082150889 222310754 /nfs/dbraw/zinc/31/07/54/222310754.db2.gz JMTPDKKHFRBZAX-UHFFFAOYSA-N 0 0 380.379 3.538 1 0 GHAFRN NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000084669522 222319766 /nfs/dbraw/zinc/31/97/66/222319766.db2.gz YDGDTYXPQJTSNL-UHFFFAOYSA-N 0 0 383.429 3.580 1 0 GHAFRN O=C1CSC(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccco2)=N1 ZINC000084670531 222320054 /nfs/dbraw/zinc/32/00/54/222320054.db2.gz VFARRDOBEWNGCZ-ZDUSSCGKSA-N 0 0 390.262 3.823 1 0 GHAFRN CC(=O)Nc1nn(C)c2nc3nc4c(c(N)c3c(-c3ccccc3)c12)CCCC4 ZINC000084706532 222321035 /nfs/dbraw/zinc/32/10/35/222321035.db2.gz PZSHLPQCHOCYHD-UHFFFAOYSA-N 0 0 386.459 3.603 1 0 GHAFRN CC(C)(C)S(=O)(=O)c1ccc2[nH]c(N3CCO[C@H](c4ccccc4)C3)nc2c1 ZINC000095573733 222356771 /nfs/dbraw/zinc/35/67/71/222356771.db2.gz OGPBFUBAUKFODM-IBGZPJMESA-N 0 0 399.516 3.713 1 0 GHAFRN CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2)ON1C ZINC000095592026 222357954 /nfs/dbraw/zinc/35/79/54/222357954.db2.gz WNNGOPCWCRECEL-ZIAGYGMSSA-N 0 0 376.777 3.506 1 0 GHAFRN O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1ccc(O)cc1 ZINC000103211871 222492470 /nfs/dbraw/zinc/49/24/70/222492470.db2.gz QNESNGXDXVGZPG-FQEVSTJZSA-N 0 0 383.411 3.655 1 0 GHAFRN CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CCOC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000034096729 560087484 /nfs/dbraw/zinc/08/74/84/560087484.db2.gz FFOPQHZFBMZAKK-UJHQHGQKSA-N 0 0 378.509 3.785 1 0 biogenic,in-vitro GHAFRN Cc1ccc2cc3c(N)c(C(=O)N4CC(=O)Nc5ccccc54)sc3nc2c1 ZINC000001342850 212237052 /nfs/dbraw/zinc/23/70/52/212237052.db2.gz QDPRDTJEVWIFFE-UHFFFAOYSA-N 0 0 388.452 3.939 3 0 aggregator GHAFRN O=C1O[C@](O)(c2ccccc2)C(Cc2ccccc2)=C1c1ccc2c(c1)OCO2 ZINC000005701085 212147865 /nfs/dbraw/zinc/14/78/65/212147865.db2.gz SDCJODJPKKXXTB-XMMPIXPASA-N 0 0 386.403 3.814 1 0 GHAFRN COc1ccc(COC[C@@H](Cn2ccnc2)OCc2ccc(OC)cc2)cc1 ZINC000000596723 212143189 /nfs/dbraw/zinc/14/31/89/212143189.db2.gz ZLIIQVXHJXBQEO-JOCHJYFZSA-N 0 0 382.460 3.703 1 0 GHAFRN Cc1cc([O-])c(C=O)c2c1C(=O)Oc1c(O)c3c(c(C)c1O2)C(=O)CC(C)(C)O3 ZINC000049089215 212118098 /nfs/dbraw/zinc/11/80/98/212118098.db2.gz FMZRBSGCMFABIX-UHFFFAOYSA-N 0 0 398.367 3.596 1 0 in-vitro GHAFRN Cc1c2c(c(C)n1C)[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C2=O ZINC000003030731 220598199 /nfs/dbraw/zinc/59/81/99/220598199.db2.gz ZASFZKQGAKTRCC-OAQYLSRUSA-N 0 0 379.504 3.788 3 0 GHAFRN CCOCCCN1C(=O)CN(C2CCC(C)CC2)C(=O)[C@@H]1c1ccc(C)cc1 ZINC000004672686 220744296 /nfs/dbraw/zinc/74/42/96/220744296.db2.gz MJWVVFPWLBDPHR-ZNIKRAEXSA-N 0 0 386.536 3.712 3 0 GHAFRN CC(C)[C@H]1c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)ccc2NC1=O ZINC000008597902 221045479 /nfs/dbraw/zinc/04/54/79/221045479.db2.gz NVTCILIHQIHPJF-SFHVURJKSA-N 0 0 392.908 3.553 1 0 GHAFRN CC[C@H]1CN(C)CCc2c3ccccc3[nH]c2C(=O)C[C@@H]1C(=COC)C(=O)OC ZINC000012726419 221221484 /nfs/dbraw/zinc/22/14/84/221221484.db2.gz PLKPNFFPTRHEAE-XNCQJHNMSA-N 0 0 398.503 3.574 3 0 GHAFRN CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)cc1 ZINC000013096540 221260035 /nfs/dbraw/zinc/26/00/35/221260035.db2.gz UEDGYRWZHYEHNC-QIEVIBBNSA-N 0 0 399.535 3.518 1 0 GHAFRN Cn1cc(C[N@@H+]2CCCC[C@@H]2c2ccccn2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000013594176 221275498 /nfs/dbraw/zinc/27/54/98/221275498.db2.gz TUIHDUCFYHNNOB-HXUWFJFHSA-N 0 0 390.487 3.981 3 0 GHAFRN CS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Cl)cc2)nc1 ZINC000013588352 221275645 /nfs/dbraw/zinc/27/56/45/221275645.db2.gz IJZTYZVSNKJHIJ-UHFFFAOYSA-N 0 0 383.807 3.929 1 0 GHAFRN O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 ZINC000013601698 221276616 /nfs/dbraw/zinc/27/66/16/221276616.db2.gz PQCDUNADCLPZMS-JOCHJYFZSA-N 0 0 394.434 3.714 1 0 GHAFRN Cn1cc(C2=C(c3cn(C)c4ccc(Cl)cc34)C(=O)NC2=O)c2ccccc21 ZINC000013447732 221269309 /nfs/dbraw/zinc/26/93/09/221269309.db2.gz VVLJRAHYERPXFH-UHFFFAOYSA-N 0 0 389.842 3.891 1 0 GHAFRN CC(C)c1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1 ZINC000013560127 221272663 /nfs/dbraw/zinc/27/26/63/221272663.db2.gz NNSHUVXTTHWUKK-UHFFFAOYSA-N 0 0 397.563 3.641 1 0 GHAFRN COc1ccc(-c2nn(Cc3ccccc3)c(=O)c3c2CCCC3)cc1OC ZINC000013863446 221293469 /nfs/dbraw/zinc/29/34/69/221293469.db2.gz BVCQDYLKUBQVKF-UHFFFAOYSA-N 0 0 376.456 3.855 1 0 GHAFRN CC(=O)Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1 ZINC000014945639 221318671 /nfs/dbraw/zinc/31/86/71/221318671.db2.gz YGGYRUQXYWATOD-UHFFFAOYSA-N 0 0 382.370 3.875 1 0 GHAFRN Cc1nn(C(=O)c2ccccc2O)c2c1[C@@H](c1ccc(C)cc1)SC(=N)N2 ZINC000017222190 221381294 /nfs/dbraw/zinc/38/12/94/221381294.db2.gz QSQVZOUDJRPDFI-QGZVFWFLSA-N 0 0 378.457 3.676 1 0 GHAFRN Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccccc1O)SC(=N)N2 ZINC000017221725 221381461 /nfs/dbraw/zinc/38/14/61/221381461.db2.gz DXZPNEPIKKHWDD-GOSISDBHSA-N 0 0 378.457 3.562 1 0 GHAFRN Cc1nnn(C23C[C@@H]4C[C@@H](CC(CC(=O)Nc5ccc(C)c(C)c5)(C4)C2)C3)n1 ZINC000018270725 221391624 /nfs/dbraw/zinc/39/16/24/221391624.db2.gz MSSBVDGLPZOPOI-OTXOEQGISA-N 0 0 379.508 3.923 1 0 GHAFRN Cc1nc2ccccc2c(=O)n1N1C(C)=C[C@H](C)N(c2ccccc2)C1=S ZINC000098085075 136188814 /nfs/dbraw/zinc/18/88/14/136188814.db2.gz GMNYUWYBLMHNDU-AWEZNQCLSA-N 0 0 376.485 3.740 1 0 GHAFRN C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)C(C)(C)C)OCO3 ZINC000025986572 221634789 /nfs/dbraw/zinc/63/47/89/221634789.db2.gz RVCBXVQLLAIJFK-ZDUSSCGKSA-N 0 0 379.460 3.569 1 0 GHAFRN CC(=O)Oc1ccc2cc(-n3cc(-c4ccc(F)cc4F)nn3)c(=O)oc2c1C ZINC000053296243 222009399 /nfs/dbraw/zinc/00/93/99/222009399.db2.gz SHGFDPCTGPRRDL-UHFFFAOYSA-N 0 0 397.337 3.553 1 0 GHAFRN COc1ccc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2C(C)=O)cc1OC ZINC000058506753 222053590 /nfs/dbraw/zinc/05/35/90/222053590.db2.gz SJYFPJWOZHFCQA-GOSISDBHSA-N 0 0 392.411 3.508 1 0 GHAFRN Cc1cccnc1C1=NO[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000061904782 222062421 /nfs/dbraw/zinc/06/24/21/222062421.db2.gz VTYGSBLEFGWGQF-FQEVSTJZSA-N 0 0 389.430 3.861 3 0 GHAFRN CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1ccccc1O ZINC000066252007 222138369 /nfs/dbraw/zinc/13/83/69/222138369.db2.gz LJVKTBQOUSKMRZ-JCOOBLOPSA-N 0 0 392.407 3.837 1 0 GHAFRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC[C@H](C)C(=O)S3)c(C)c1 ZINC000066260135 222138659 /nfs/dbraw/zinc/13/86/59/222138659.db2.gz JYFRKAPAUUNCJR-ZDUSSCGKSA-N 0 0 376.503 3.785 1 0 GHAFRN Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC[C@@H](C)C(=O)S3)c(C)c1 ZINC000066260136 222139544 /nfs/dbraw/zinc/13/95/44/222139544.db2.gz JYFRKAPAUUNCJR-CYBMUJFWSA-N 0 0 376.503 3.785 1 0 GHAFRN COc1cccc2c(C3=NN(Cc4ccccc4)C(=O)CC3)c(C(C)C)nn21 ZINC000071340540 222183531 /nfs/dbraw/zinc/18/35/31/222183531.db2.gz XJQUCNLRBNEHNV-UHFFFAOYSA-N 0 0 376.460 3.993 1 0 GHAFRN COC1CN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4Cl)nc32)C1 ZINC000072112416 222207101 /nfs/dbraw/zinc/20/71/01/222207101.db2.gz XZRGIOHIEFGMRJ-UHFFFAOYSA-N 0 0 378.263 3.574 1 0 GHAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(CCO)C(=O)O5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112727 222207195 /nfs/dbraw/zinc/20/71/95/222207195.db2.gz LDJRIWQBURHKQH-VCENLASZSA-N 0 0 389.536 3.782 1 0 GHAFRN NC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1Cl ZINC000072173264 222216868 /nfs/dbraw/zinc/21/68/68/222216868.db2.gz APRYJGINYCJVMH-VMPITWQZSA-N 0 0 379.641 3.853 1 0 GHAFRN CCN(CC)C(=O)[C@H]1CCCc2c1c1c(cc(OC)cc1OC)n2CCF ZINC000082154970 222311213 /nfs/dbraw/zinc/31/12/13/222311213.db2.gz KAQBDGZMPFIGFI-HNNXBMFYSA-N 0 0 376.472 3.916 1 0 GHAFRN O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc(F)cc1 ZINC000084617743 222317486 /nfs/dbraw/zinc/31/74/86/222317486.db2.gz NWXDMACOVSQXDX-ZSOIEALJSA-N 0 0 394.221 3.983 1 0 GHAFRN COc1cc(C(=O)N[C@H]2COc3cccc(Cl)c32)ccc1-n1cnc(C)c1 ZINC000084634462 222318137 /nfs/dbraw/zinc/31/81/37/222318137.db2.gz IZHHTPLUEWGDDL-HNNXBMFYSA-N 0 0 383.835 3.706 1 0 GHAFRN COc1ccc(-c2ncnc3c2nc(C)c(=O)n3C(C2CC2)C2CC2)c(C)c1 ZINC000084672118 222320115 /nfs/dbraw/zinc/32/01/15/222320115.db2.gz QEFLCLJGYWJNOQ-UHFFFAOYSA-N 0 0 376.460 3.840 1 0 GHAFRN Cc1ccc(S(=O)(=O)N[C@@H](/C(=C/c2ccco2)[N+](=O)[O-])c2ccco2)cc1 ZINC000084757043 222320631 /nfs/dbraw/zinc/32/06/31/222320631.db2.gz ADOPGGWRZCPMGI-XOQYZJNISA-N 0 0 388.401 3.518 1 0 GHAFRN CCn1c2cccnc2n(-c2ccc(N3CCn4c5ccccc5nc43)cc2)c1=O ZINC000095572828 222356321 /nfs/dbraw/zinc/35/63/21/222356321.db2.gz CXZVGMSIVNXGER-UHFFFAOYSA-N 0 0 396.454 3.709 1 0 GHAFRN O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccco2)C1 ZINC000095565072 222356616 /nfs/dbraw/zinc/35/66/16/222356616.db2.gz YFHVXQTXTFCIQO-UHFFFAOYSA-N 0 0 396.756 3.866 1 0 GHAFRN COc1cccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc43)cc2)c1 ZINC000095592165 222357840 /nfs/dbraw/zinc/35/78/40/222357840.db2.gz UKVCFSOPAQDUHB-UHFFFAOYSA-N 0 0 376.376 3.798 1 0 GHAFRN O=C(NCCc1ccc(O)cc1)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 ZINC000095604830 222359706 /nfs/dbraw/zinc/35/97/06/222359706.db2.gz NEAQSNRRIGFYGJ-UHFFFAOYSA-N 0 0 375.350 3.774 3 0 GHAFRN Cc1ncccc1CNC(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000096271706 222407744 /nfs/dbraw/zinc/40/77/44/222407744.db2.gz NESDBVDQQQHJCX-UHFFFAOYSA-N 0 0 381.457 3.545 1 0 GHAFRN C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)NCc4ccccc4)cc3)C(=O)[C@@H]2C1 ZINC000101701978 222475527 /nfs/dbraw/zinc/47/55/27/222475527.db2.gz RRAKKZCDPCWSJE-RYGJVYDSSA-N 0 0 376.456 3.542 1 0 GHAFRN COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC[C@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000137731271 222526952 /nfs/dbraw/zinc/52/69/52/222526952.db2.gz RWVLOCURZSIIGK-GKCIPKSASA-N 0 0 392.455 3.873 1 0 GHAFRN CCCNC(=O)N1CC[C@H]2[C@@H]1c1cc(-c3ccc(F)cc3)ccc1N(C)[C@@H]2CO ZINC000095878294 535086398 /nfs/dbraw/zinc/08/63/98/535086398.db2.gz FUQCAVMYHIAVPH-STZQEDGTSA-N 0 0 397.494 3.786 1 0 GHAFRN COc1cccc(OCc2cc(C(=O)N3CCC(c4ccncc4)CC3)no2)c1 ZINC000012200882 560211525 /nfs/dbraw/zinc/21/15/25/560211525.db2.gz OQGAXKQYQAYFPV-UHFFFAOYSA-N 0 0 393.443 3.677 3 0 in-vitro GHAFRN COc1ccccc1NC(=O)CN1CCC(n2c(C)nc3cc(F)ccc32)CC1 ZINC000001380384 212239478 /nfs/dbraw/zinc/23/94/78/212239478.db2.gz MNAIGPDCLNXHFZ-UHFFFAOYSA-N 0 0 396.466 3.768 3 0 GHAFRN O=C1c2ccccc2N(Cc2ccccc2)S(=O)(=O)N1Cc1ccccc1 ZINC000000602935 212164620 /nfs/dbraw/zinc/16/46/20/212164620.db2.gz KRQNTDZWUJMTOY-UHFFFAOYSA-N 0 0 378.453 3.594 1 0 GHAFRN CCn1cc(Br)c(=O)n2nc(-c3ccccc3)c(Br)c21 ZINC000029463494 212157254 /nfs/dbraw/zinc/15/72/54/212157254.db2.gz ACTYQKJGQJVHJV-UHFFFAOYSA-N 0 0 397.070 3.708 1 0 GHAFRN Cc1c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2oc1C(=O)NC(C)C ZINC000002459819 220538044 /nfs/dbraw/zinc/53/80/44/220538044.db2.gz MXPKNKSFGBSDBF-ZIAGYGMSSA-N 0 0 392.521 3.546 1 0 GHAFRN COc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)c2ccco2)CC3)cc1 ZINC000003956318 220668199 /nfs/dbraw/zinc/66/81/99/220668199.db2.gz MXXFGUWONXBGDS-UHFFFAOYSA-N 0 0 397.475 3.839 1 0 GHAFRN CCc1nn([C@H](C)C(=O)Nc2cccc(C)c2C)c(=O)c2cc3occc3n21 ZINC000004102099 220681126 /nfs/dbraw/zinc/68/11/26/220681126.db2.gz BQILMMRYTGHXOW-CQSZACIVSA-N 0 0 378.432 3.621 3 0 GHAFRN CCNc1ncc2nc(-c3cccs3)c(=O)n(Cc3ccc(F)cc3)c2n1 ZINC000004239007 220697221 /nfs/dbraw/zinc/69/72/21/220697221.db2.gz ONZPYDSZBNUZDN-UHFFFAOYSA-N 0 0 381.436 3.534 1 0 GHAFRN COc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3nnnc23)cc1 ZINC000006792251 220962439 /nfs/dbraw/zinc/96/24/39/220962439.db2.gz OBTKBGQFGGDOOI-UHFFFAOYSA-N 0 0 396.410 3.656 1 0 GHAFRN CCn1nc(C)c2c1n([C@@H](C)C(=O)NCCC(C)C)c(=O)cc2-c1ccccc1 ZINC000008605316 221045367 /nfs/dbraw/zinc/04/53/67/221045367.db2.gz JLQPRMPJJJZLKH-KRWDZBQOSA-N 0 0 394.519 3.917 1 0 GHAFRN CCCN(C[C@H]1CCCO1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000012111967 221151093 /nfs/dbraw/zinc/15/10/93/221151093.db2.gz ODPCZJGRKAKGDY-QGZVFWFLSA-N 0 0 395.459 3.833 1 0 GHAFRN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000012869282 221240546 /nfs/dbraw/zinc/24/05/46/221240546.db2.gz KUUPNKANNSHVRM-OAQYLSRUSA-N 0 0 394.540 3.854 3 0 GHAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2c1S(=O)(=O)N=C(C)N2 ZINC000013585114 221275800 /nfs/dbraw/zinc/27/58/00/221275800.db2.gz FZUKNXNWDIOIMO-UHFFFAOYSA-N 0 0 393.683 3.928 1 0 GHAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)CCc2ccccc2)C1=O ZINC000013606604 221276696 /nfs/dbraw/zinc/27/66/96/221276696.db2.gz NEADABCFDISZHX-XMMPIXPASA-N 0 0 397.478 3.576 1 0 GHAFRN Cn1cc(C2=C(c3cccc(Br)c3)C(=O)NC2=O)c2ccccc21 ZINC000013447849 221269207 /nfs/dbraw/zinc/26/92/07/221269207.db2.gz KDOTZTCOVSLYKO-UHFFFAOYSA-N 0 0 381.229 3.508 1 0 GHAFRN C[C@@H]1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 ZINC000014968228 221321500 /nfs/dbraw/zinc/32/15/00/221321500.db2.gz HWLLYFXDDGGHOE-YVILZHTOSA-N 0 0 394.315 3.827 1 0 GHAFRN COc1ccc(Cc2nc3ccc(C(=O)N4CCCCO4)cc3o2)cc1OC ZINC000014962818 221322089 /nfs/dbraw/zinc/32/20/89/221322089.db2.gz QBKLNWIETPQAAJ-UHFFFAOYSA-N 0 0 382.416 3.603 1 0 GHAFRN Cc1cccc(-c2[nH]c3nc(N)ccc3c2-c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000014958597 221320843 /nfs/dbraw/zinc/32/08/43/221320843.db2.gz MDQGEYVQDGVWGG-UHFFFAOYSA-N 0 0 383.455 3.978 1 0 GHAFRN Cn1c2ccccc2nc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1 ZINC000084709511 136175156 /nfs/dbraw/zinc/17/51/56/136175156.db2.gz JHACYRDRFCKQIN-UHFFFAOYSA-N 0 0 386.459 3.611 1 0 GHAFRN Cc1ccccc1N1CCN(Cc2ccc(F)cc2C(F)(F)F)C(=O)C1=O ZINC000095565824 136182097 /nfs/dbraw/zinc/18/20/97/136182097.db2.gz ZCVBNOGPQHZCAW-UHFFFAOYSA-N 0 0 380.341 3.528 1 0 GHAFRN CS(=O)(=O)c1ccc(N2N=C(c3ccc(Cl)c(Cl)c3)CCC2=O)cc1 ZINC000096911492 136187783 /nfs/dbraw/zinc/18/77/83/136187783.db2.gz IJHDIFOJIFKNSS-UHFFFAOYSA-N 0 0 397.283 3.928 1 0 GHAFRN CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000027870463 221662381 /nfs/dbraw/zinc/66/23/81/221662381.db2.gz OBUOTEZRDMDNCG-FXVZFUKCSA-N 0 0 380.525 3.730 1 0 GHAFRN COc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)nn2n1 ZINC000028392334 221676303 /nfs/dbraw/zinc/67/63/03/221676303.db2.gz TZIFVBRWFVXOKP-UHFFFAOYSA-N 0 0 397.431 3.615 1 0 GHAFRN CN(C)C(=O)N1Cc2cc(Br)ccc2[C@H](c2cccc(O)c2)C1 ZINC000028572509 221681207 /nfs/dbraw/zinc/68/12/07/221681207.db2.gz QGJPPNDXBDCENW-KRWDZBQOSA-N 0 0 375.266 3.784 1 0 GHAFRN CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC000040393327 221920498 /nfs/dbraw/zinc/92/04/98/221920498.db2.gz OBQUWQFVONZMBU-CQSZACIVSA-N 0 0 377.289 3.950 1 0 GHAFRN CCOC(=O)c1[nH]c2ccc(OC)cc2c1Cc1cc(O)c(OC)c(OC)c1 ZINC000045334607 221961579 /nfs/dbraw/zinc/96/15/79/221961579.db2.gz QLXGVPCXDNIIDO-UHFFFAOYSA-N 0 0 385.416 3.667 1 0 GHAFRN COc1cc(OC)cc(N2C(=O)C[C@]3(c4ccccc4)O[C@H](OC)CC=C23)c1 ZINC000064499037 222072238 /nfs/dbraw/zinc/07/22/38/222072238.db2.gz QNSGWELSUROEFF-FCHUYYIVSA-N 0 0 381.428 3.613 1 0 GHAFRN NC(=O)c1cn(Cc2ccccc2)c2c1CCc1cnc(NC3CCCC3)nc1-2 ZINC000064503951 222072704 /nfs/dbraw/zinc/07/27/04/222072704.db2.gz AUTIVJGNZXILJJ-UHFFFAOYSA-N 0 0 387.487 3.545 1 0 GHAFRN CCOC(=O)C1=C(N)Oc2cc(N(CC)CC)ccc2[C@H]1c1ccc(F)cc1 ZINC000066066491 222136597 /nfs/dbraw/zinc/13/65/97/222136597.db2.gz OWEJQFQBZOHZNA-LJQANCHMSA-N 0 0 384.451 3.930 1 0 GHAFRN O=C(c1cccc2[nH]ncc21)N1CC[C@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071296302 222180208 /nfs/dbraw/zinc/18/02/08/222180208.db2.gz WHNNOHLGTSGBMC-NWSQWKLXSA-N 0 0 375.472 3.855 1 0 GHAFRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)[C@@H](OC(C)=O)C4=O ZINC000071329281 222182423 /nfs/dbraw/zinc/18/24/23/222182423.db2.gz LFZIXVZROHLYRB-OXKZBYDOSA-N 0 0 376.493 3.683 1 0 GHAFRN Cc1ccc(C(=O)Nc2nc[nH]n2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 ZINC000072108150 222205266 /nfs/dbraw/zinc/20/52/66/222205266.db2.gz FWRLFZPGWLVACE-UHFFFAOYSA-N 0 0 387.443 3.796 1 0 GHAFRN COC(=O)c1ccc2c(c1)c1c(n2CCCn2cnc3ncncc32)CCCC1 ZINC000073167344 222268103 /nfs/dbraw/zinc/26/81/03/222268103.db2.gz FMGIOIHJVZEISC-UHFFFAOYSA-N 0 0 389.459 3.537 1 0 GHAFRN COc1ccc2nccc([C@@H](c3nnnn3C(C)(C)C)N3CCCCC3)c2c1 ZINC000084671801 222320232 /nfs/dbraw/zinc/32/02/32/222320232.db2.gz OKVBRNZRFUMIDQ-IBGZPJMESA-N 0 0 380.496 3.560 1 0 GHAFRN CCOC(=O)C[C@H]1c2cc(-c3cccs3)ccc2OC(N)=C1C(=O)OCC ZINC000095561244 222355558 /nfs/dbraw/zinc/35/55/58/222355558.db2.gz RIRGWYPJLGOIOC-AWEZNQCLSA-N 0 0 387.457 3.578 1 0 GHAFRN CCOC(=O)C[C@@H]1c2cc(-c3ccc(F)cc3)ccc2OC(N)=C1C(=O)OCC ZINC000095563544 222356870 /nfs/dbraw/zinc/35/68/70/222356870.db2.gz LDVRDFZSFNWPHU-QGZVFWFLSA-N 0 0 399.418 3.655 1 0 GHAFRN O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1Cc1cccc(F)c1 ZINC000095605131 222359433 /nfs/dbraw/zinc/35/94/33/222359433.db2.gz NCWVPDADCGCCTA-OAQYLSRUSA-N 0 0 399.429 3.606 3 0 GHAFRN COC(=N)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1 ZINC000096270436 222407655 /nfs/dbraw/zinc/40/76/55/222407655.db2.gz OTKQTETZDVGXBV-UHFFFAOYSA-N 0 0 379.401 3.684 1 0 GHAFRN COc1ccc(NS(=O)(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000096908638 222429039 /nfs/dbraw/zinc/42/90/39/222429039.db2.gz IVUOVOSSCYVFPK-VOTSOKGWSA-N 0 0 379.306 3.803 1 0 GHAFRN O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ncccn4)c3)cccc12 ZINC000101172299 222468910 /nfs/dbraw/zinc/46/89/10/222468910.db2.gz QFBDOPBIMKZKDN-UHFFFAOYSA-N 0 0 385.423 3.754 1 0 GHAFRN COc1ccc(-c2nc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)co2)cc1 ZINC000072185142 536515031 /nfs/dbraw/zinc/51/50/31/536515031.db2.gz HZQBMPMNYUQLBB-UHFFFAOYSA-N 0 0 391.471 3.875 1 0 GHAFRN COc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2)c1 ZINC000101875655 570285492 /nfs/dbraw/zinc/28/54/92/570285492.db2.gz RWVLOCURZSIIGK-UAOJZALGSA-N 0 0 392.455 3.873 1 0 GHAFRN COC(=O)[C@@]1(OC(C)=O)C[C@@]23C[C@@H]1CC[C@@H]2[C@@]1(C)CCC[C@@](C)(O)[C@@H]1CC3 ZINC000100778835 571829340 /nfs/dbraw/zinc/82/93/40/571829340.db2.gz XLXLWRGGUYSHOH-YITCQCNYSA-N 0 0 378.509 3.619 1 0 endogenous,in-man GHAFRN C[C@@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026005824 212158490 /nfs/dbraw/zinc/15/84/90/212158490.db2.gz VHXNDSDIDKXEFR-MSOLQXFVSA-N 0 0 396.249 3.520 1 0 GHAFRN CCOCn1c(=O)[nH]c(=O)c(CC)c1Sc1cc(Cl)cc(Cl)c1 ZINC000006424955 212147660 /nfs/dbraw/zinc/14/76/60/212147660.db2.gz DSEGRSTVAFERCF-UHFFFAOYSA-N 0 0 375.277 3.551 1 0 GHAFRN CCOc1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 ZINC000003819471 220667307 /nfs/dbraw/zinc/66/73/07/220667307.db2.gz JKIDSOBNWPLIHZ-UHFFFAOYSA-N 0 0 388.416 3.915 1 0 GHAFRN CN(C)c1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1 ZINC000004238892 220696490 /nfs/dbraw/zinc/69/64/90/220696490.db2.gz YTMJYZOCVNZPMB-UHFFFAOYSA-N 0 0 377.835 3.562 1 0 GHAFRN CCCN(CC1CC1)C(=O)COc1ccccc1C(=O)NCc1ccccc1 ZINC000006051710 220915415 /nfs/dbraw/zinc/91/54/15/220915415.db2.gz FRNPWQJTICZJTJ-UHFFFAOYSA-N 0 0 380.488 3.644 3 0 GHAFRN CCN(CC)c1ccccc1C[S@](=O)c1nc2c(n1-c1ccccn1)CCC2 ZINC000011687200 221121299 /nfs/dbraw/zinc/12/12/99/221121299.db2.gz FPINXZJBEYYVDP-MUUNZHRXSA-N 0 0 394.544 3.910 1 0 GHAFRN Cn1cnc2c1nc(-c1ccccc1)nc2N(C(N)=O)c1c(F)cccc1F ZINC000012365493 221185454 /nfs/dbraw/zinc/18/54/54/221185454.db2.gz PFTYSUXVIPELOX-UHFFFAOYSA-N 0 0 380.358 3.525 1 0 GHAFRN COC(=O)[C@H](Cc1ccccc1)c1ccc2c(c1O)C(=O)c1c(O)cccc1C2 ZINC000013606185 221276937 /nfs/dbraw/zinc/27/69/37/221276937.db2.gz VVXWPSPMCYIUAT-GOSISDBHSA-N 0 0 388.419 3.732 1 0 GHAFRN O=C(c1ccc2cc[nH]c2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000013441665 221267833 /nfs/dbraw/zinc/26/78/33/221267833.db2.gz VYUFKLNHLUGAFS-UHFFFAOYSA-N 0 0 375.428 3.929 1 0 GHAFRN O=C1CCCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCNC1=O)N2 ZINC000013579998 221274199 /nfs/dbraw/zinc/27/41/99/221274199.db2.gz XSBZYYOWVFELQB-HNNXBMFYSA-N 0 0 391.240 3.896 1 0 GHAFRN Cc1ccc2c(c1I)CCN2C(=O)Nc1cccnc1 ZINC000013779425 221287956 /nfs/dbraw/zinc/28/79/56/221287956.db2.gz IFMKJNSSPPAQOQ-UHFFFAOYSA-N 0 0 379.201 3.589 1 0 GHAFRN COCC(=O)Nc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC ZINC000013803344 221289301 /nfs/dbraw/zinc/28/93/01/221289301.db2.gz CQAALERBHGGYLB-UHFFFAOYSA-N 0 0 390.802 3.759 1 0 GHAFRN Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)[nH]c1=O ZINC000014974123 221323351 /nfs/dbraw/zinc/32/33/51/221323351.db2.gz ODCJPRNNQFZRPV-UHFFFAOYSA-N 0 0 399.332 3.773 1 0 GHAFRN Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)C2=C(C)OCCO2)cc1 ZINC000015063371 221327790 /nfs/dbraw/zinc/32/77/90/221327790.db2.gz VUNBWWHYVLQWTF-GOSISDBHSA-N 0 0 381.476 3.589 3 0 GHAFRN CCCCN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)C1=O ZINC000016042697 221356664 /nfs/dbraw/zinc/35/66/64/221356664.db2.gz OYZRSSFZJCMFLQ-OFNKIYASSA-N 0 0 387.483 3.653 1 0 GHAFRN CN1c2ccc(-c3cccc(F)c3)cc2[C@H]2[C@H](CCN2C(=O)C2CC2)[C@H]1CO ZINC000095568493 136182102 /nfs/dbraw/zinc/18/21/02/136182102.db2.gz OFEWPKJJDNBDTR-STZQEDGTSA-N 0 0 380.463 3.603 1 0 GHAFRN S=C(Nc1cc(Cl)ccn1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000095569563 136182186 /nfs/dbraw/zinc/18/21/86/136182186.db2.gz KKERYWIWZHOQSF-UHFFFAOYSA-N 0 0 383.908 3.802 1 0 GHAFRN O=C(Nc1ccc(Br)cc1)Nc1ncnc2nn3ccccc3c21 ZINC000028126768 221667708 /nfs/dbraw/zinc/66/77/08/221667708.db2.gz HDRKTFQABULLHE-UHFFFAOYSA-N 0 0 383.209 3.684 1 0 GHAFRN CC[C@@H]1OC(=O)C2=C1NC1=C(C(=O)OC1)[C@H]2c1ccc(F)c(Br)c1 ZINC000040575905 221926354 /nfs/dbraw/zinc/92/63/54/221926354.db2.gz RTGYQVIYIWQPHQ-NWDGAFQWSA-N 0 0 394.196 3.516 1 0 GHAFRN COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2cccc(Br)c2)cc1 ZINC000057011020 222028808 /nfs/dbraw/zinc/02/88/08/222028808.db2.gz XYXZDCDAMRNHSQ-MSOLQXFVSA-N 0 0 387.277 3.968 3 0 GHAFRN CCS(=O)(=O)Nc1ccc(C2(C(=O)N3CCC[C@H](C)C3)CCCCC2)cc1 ZINC000065029466 222094721 /nfs/dbraw/zinc/09/47/21/222094721.db2.gz SIEVOFIRMRQXKH-KRWDZBQOSA-N 0 0 392.565 3.909 1 0 GHAFRN Cc1cccc(NC(=O)N[C@H]2N=C(C3CCC3)c3ccccc3N(C)C2=O)c1 ZINC000058562903 222053907 /nfs/dbraw/zinc/05/39/07/222053907.db2.gz KGIOMNUFUBWNOI-HXUWFJFHSA-N 0 0 376.460 3.708 1 0 GHAFRN CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCCC(F)(F)F)O3)cc1 ZINC000061905985 222063343 /nfs/dbraw/zinc/06/33/43/222063343.db2.gz LXZMNAKWTLWFTB-LJQANCHMSA-N 0 0 393.409 3.577 3 0 GHAFRN COc1cc([C@@H]2CC(c3cccc(Br)c3)=NN2)cc(OC)c1OC ZINC000064373374 222070834 /nfs/dbraw/zinc/07/08/34/222070834.db2.gz PFYWXHDNONQBLW-HNNXBMFYSA-N 0 0 391.265 3.914 1 0 GHAFRN COc1cccc(Nc2nc(-c3cccc(NC(C)=O)c3)nc3c2cnn3C)c1 ZINC000064539967 222072583 /nfs/dbraw/zinc/07/25/83/222072583.db2.gz FLORCLARODPUNY-UHFFFAOYSA-N 0 0 388.431 3.741 1 0 GHAFRN Cc1ccc(Nc2cn(Cc3ccc(Cl)cc3Cl)c(=O)[nH]c2=O)cc1 ZINC000064560417 222073614 /nfs/dbraw/zinc/07/36/14/222073614.db2.gz AMHZBVRMNAQXIA-UHFFFAOYSA-N 0 0 376.243 3.944 1 0 GHAFRN O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1SCCN1C(=O)Nc1ccccc1 ZINC000066252617 222139540 /nfs/dbraw/zinc/13/95/40/222139540.db2.gz KPTBYQJZTAEZGO-VWGVWWFLSA-N 0 0 385.533 3.534 1 0 GHAFRN COc1ccc(N2C(=O)C(C)(C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000066258743 222139612 /nfs/dbraw/zinc/13/96/12/222139612.db2.gz OBGJMXCYVLSENG-IBGZPJMESA-N 0 0 387.432 3.541 1 0 GHAFRN O=C(c1ccc(-n2cc(-c3cccc(Cl)c3)nn2)cc1O)N1CCCCC1 ZINC000071329321 222181994 /nfs/dbraw/zinc/18/19/94/222181994.db2.gz XZTKCAMBNGTKFF-UHFFFAOYSA-N 0 0 382.851 3.919 1 0 GHAFRN CCn1c2ccncc2c2cc(C(=O)c3ccc(S(C)(=O)=O)cc3)ccc21 ZINC000071329157 222182378 /nfs/dbraw/zinc/18/23/78/222182378.db2.gz KVCNCAUKDLMKRX-UHFFFAOYSA-N 0 0 378.453 3.844 1 0 GHAFRN O=C(NC1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1)C1CC1 ZINC000072103154 222205203 /nfs/dbraw/zinc/20/52/03/222205203.db2.gz PXUBVGLRPJSVPE-FQEVSTJZSA-N 0 0 387.886 3.954 1 0 GHAFRN C[C@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000072177814 222217333 /nfs/dbraw/zinc/21/73/33/222217333.db2.gz LKTRGGYWYHEIGU-WMLDXEAASA-N 0 0 383.803 3.759 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccnc(C(F)(F)F)c3)c2)cc1 ZINC000084725682 222321636 /nfs/dbraw/zinc/32/16/36/222321636.db2.gz IEJRGOMPDLFNEO-UHFFFAOYSA-N 0 0 393.390 3.815 1 0 GHAFRN Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4ccccc4C)cn32)n1 ZINC000095557647 222354976 /nfs/dbraw/zinc/35/49/76/222354976.db2.gz ADTCCVMJGTXFQL-UHFFFAOYSA-N 0 0 397.446 3.519 1 0 GHAFRN O=C(O[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCCCN1C2=O)N1CCC(c2ccccc2)CC1 ZINC000095568623 222356504 /nfs/dbraw/zinc/35/65/04/222356504.db2.gz MORCQQHPUGUOSQ-XRXFAXGQSA-N 0 0 382.504 3.792 1 0 GHAFRN COc1ccc(-c2nccc3ccn(S(=O)(=O)c4ccc(OC)cc4)c32)cc1 ZINC000096940388 222431846 /nfs/dbraw/zinc/43/18/46/222431846.db2.gz DTSJHBSGEZFUEK-UHFFFAOYSA-N 0 0 394.452 3.958 1 0 GHAFRN Cc1ccc(CN2c3cccn3S(=O)(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000096938789 222432464 /nfs/dbraw/zinc/43/24/64/222432464.db2.gz PHDWLTCVBIFORY-UHFFFAOYSA-N 0 0 381.457 3.532 1 0 GHAFRN Clc1cccc([C@H]2CCN(c3nncc(-c4ccc5c(c4)OCO5)n3)C2)c1 ZINC000103226905 222492653 /nfs/dbraw/zinc/49/26/53/222492653.db2.gz GXSWUDHNMGXEST-HNNXBMFYSA-N 0 0 380.835 3.915 1 0 GHAFRN O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3[nH]c2=O)cc1 ZINC000028526122 581101383 /nfs/dbraw/zinc/10/13/83/581101383.db2.gz XUPYJTLUOLBBCD-UHFFFAOYSA-N 0 0 376.441 3.658 1 0 GHAFRN O=C1c2ccccc2N(O)[C@]1(c1ccccc1)[C@@H]1CCCC=C1N1CCOCC1 ZINC000001633318 212252823 /nfs/dbraw/zinc/25/28/23/212252823.db2.gz DTQWPAJNCXFQHJ-HYBUGGRVSA-N 0 0 390.483 3.990 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2cnn(CC3CC3)c(=O)c2-c2ccc(F)cc2)cc1 ZINC000001488724 212247136 /nfs/dbraw/zinc/24/71/36/212247136.db2.gz NRXNITPRTPIEKU-UHFFFAOYSA-N 0 0 398.459 3.530 1 0 GHAFRN CC(=O)c1ccc2c(c1)nc(Cn1c3ccccc3n(C)c1=O)n2CCC(C)C ZINC000000594349 212164360 /nfs/dbraw/zinc/16/43/60/212164360.db2.gz GDWHTLKIOAPEQG-UHFFFAOYSA-N 0 0 390.487 3.987 1 0 GHAFRN COc1cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)ccc1F ZINC000000592932 212163937 /nfs/dbraw/zinc/16/39/37/212163937.db2.gz YYWVASBFSBFKTN-UHFFFAOYSA-N 0 0 380.828 3.744 1 0 GHAFRN CC(C)(C)N(Cc1ccc2c(c1)OCO2)C(=O)/C=C\[S@](=O)c1ccccc1 ZINC000031904811 212160257 /nfs/dbraw/zinc/16/02/57/212160257.db2.gz ONNGZSNFZVBIIU-FRSJXWKWSA-N 0 0 385.485 3.864 3 0 GHAFRN C[C@](O)(c1ccc(F)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026005829 212157941 /nfs/dbraw/zinc/15/79/41/212157941.db2.gz VHXNDSDIDKXEFR-ROUUACIJSA-N 0 0 396.249 3.520 1 0 GHAFRN Nc1nc2ccc(C(=O)c3ccccc3)cn2c1C(=O)c1c(F)cccc1F ZINC000014945544 212149684 /nfs/dbraw/zinc/14/96/84/212149684.db2.gz FZIXLWQFVIFLAF-UHFFFAOYSA-N 0 0 377.350 3.657 1 0 GHAFRN CCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c1ccccc1F ZINC000004563360 220731895 /nfs/dbraw/zinc/73/18/95/220731895.db2.gz SCWNYDXZVWRLKL-UHFFFAOYSA-N 0 0 398.434 3.844 1 0 GHAFRN O=C([C@H](O)[C@@H](O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006010083 220912907 /nfs/dbraw/zinc/91/29/07/220912907.db2.gz XXLSTAVVVFDHSC-FAVSCLIXSA-N 0 0 379.294 3.629 1 0 GHAFRN CCCN(C[C@@H]1CCCO1)C(=O)c1cc(COc2cccc3cnccc32)on1 ZINC000012111966 221150514 /nfs/dbraw/zinc/15/05/14/221150514.db2.gz ODPCZJGRKAKGDY-KRWDZBQOSA-N 0 0 395.459 3.833 1 0 GHAFRN CCCCCCOc1ccc2c(ccn2CC[C@H](CO)n2cnc(C(N)=O)c2)c1 ZINC000013580973 221276099 /nfs/dbraw/zinc/27/60/99/221276099.db2.gz XUGIIFLBIZZJRZ-GOSISDBHSA-N 0 0 398.507 3.520 1 0 GHAFRN Cc1sc(C)c2[nH]c([S@@](=O)Cc3cc(OCC(F)(F)F)ccn3)nc12 ZINC000013448867 221268766 /nfs/dbraw/zinc/26/87/66/221268766.db2.gz QKSKMOOKGHZTRY-RUZDIDTESA-N 0 0 389.424 3.885 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2cc3c(cc2[C@H](O)c2ccccc2)OCO3)cc1 ZINC000013530417 221271390 /nfs/dbraw/zinc/27/13/90/221271390.db2.gz BBCNXYFGSPLKMK-OAQYLSRUSA-N 0 0 382.437 3.568 1 0 GHAFRN CN(c1ccccc1I)c1nc2ccccc2c(=O)o1 ZINC000013779138 221287884 /nfs/dbraw/zinc/28/78/84/221287884.db2.gz RYOAAYBGLPHYES-UHFFFAOYSA-N 0 0 378.169 3.561 1 0 GHAFRN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@H](C(F)(F)F)C2 ZINC000013686958 221280744 /nfs/dbraw/zinc/28/07/44/221280744.db2.gz WSOYEQDOUGNLDZ-HNNXBMFYSA-N 0 0 390.814 3.717 1 0 GHAFRN CNC(=O)NCc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 ZINC000013735832 221285994 /nfs/dbraw/zinc/28/59/94/221285994.db2.gz KSGKTSBGSVDRRB-UHFFFAOYSA-N 0 0 383.473 3.923 1 0 GHAFRN O=C(c1c[nH]c2cc(Br)ccc12)[C@@H]1CS[C@@H](c2cccnc2)N1 ZINC000013737467 221286474 /nfs/dbraw/zinc/28/64/74/221286474.db2.gz KNWYCIOALCUCGR-RDJZCZTQSA-N 0 0 388.290 3.912 1 0 GHAFRN COc1cccnc1-n1ccnc1[S@@](=O)Cc1ccccc1N1CCCCC1 ZINC000013746304 221286958 /nfs/dbraw/zinc/28/69/58/221286958.db2.gz KGCMKTAZVOTMND-MUUNZHRXSA-N 0 0 396.516 3.574 1 0 GHAFRN Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@@H]3C=C[C@H]4[C@@H]4C[C@@H]43)cc2)c1 ZINC000013846071 221291740 /nfs/dbraw/zinc/29/17/40/221291740.db2.gz CSNFQULZPKOOSB-NALHQMNBSA-N 0 0 398.462 3.805 1 0 GHAFRN CC(C)(C)n1ncc2c1ncn(Cc1c(Cl)cccc1Br)c2=O ZINC000013831808 221292239 /nfs/dbraw/zinc/29/22/39/221292239.db2.gz ZOACNMUYSNZLNG-UHFFFAOYSA-N 0 0 395.688 3.812 3 0 GHAFRN CC[C@@H]1C(c2cccc(C)c2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O ZINC000013813829 221290888 /nfs/dbraw/zinc/29/08/88/221290888.db2.gz AEMJRGKUMXPNFA-UYAOXDASSA-N 0 0 377.444 3.593 3 0 GHAFRN CC(C)=CCCCc1ccc2c3c(c[nH]c31)C[C@H](CO)NC(=O)[C@H](C(C)C)N2C ZINC000026487054 221641380 /nfs/dbraw/zinc/64/13/80/221641380.db2.gz IVTALJUWTQPWLZ-XXBNENTESA-N 0 0 397.563 3.951 1 0 GHAFRN COC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000026481646 221641565 /nfs/dbraw/zinc/64/15/65/221641565.db2.gz WSKJUDFXRCAIAQ-HXUWFJFHSA-N 0 0 396.443 3.908 1 0 GHAFRN COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(N2CCOCC2)n1C ZINC000040762285 221930090 /nfs/dbraw/zinc/93/00/90/221930090.db2.gz VPFMFEKLWLMXHW-UHFFFAOYSA-N 0 0 395.434 3.516 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCC3)n2)cc1 ZINC000043024611 221947075 /nfs/dbraw/zinc/94/70/75/221947075.db2.gz MVDDLZDKJHVWJY-UHFFFAOYSA-N 0 0 386.395 3.887 1 0 GHAFRN COc1cccc(OC)c1C1=CN2C(=O)c3cc(OC)c(OC)cc3N=C[C@@H]2C1 ZINC000049808653 222002321 /nfs/dbraw/zinc/00/23/21/222002321.db2.gz OINPUXOLLCVFFR-AWEZNQCLSA-N 0 0 394.427 3.693 1 0 GHAFRN COc1cccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NC(=S)N2)c1 ZINC000058557291 222054717 /nfs/dbraw/zinc/05/47/17/222054717.db2.gz AVPXFDRIVZZEGP-HNNXBMFYSA-N 0 0 386.473 3.692 1 0 GHAFRN CC(C)(C)c1ccc2oc(N3CCCN(C(=O)C4CCOCC4)CC3)nc2c1 ZINC000059275255 222056214 /nfs/dbraw/zinc/05/62/14/222056214.db2.gz SPLUYITUUPHMAR-UHFFFAOYSA-N 0 0 385.508 3.591 1 0 GHAFRN C[C@]1(c2ccc(C[NH3+])cc2)Cc2cc(OCC(=O)[O-])c(Cl)c(Cl)c2C1=O ZINC000059913654 222058481 /nfs/dbraw/zinc/05/84/81/222058481.db2.gz XMRHRTRCZHVVPR-LJQANCHMSA-N 0 0 394.254 3.612 1 0 GHAFRN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)CC2(C)C)cc1 ZINC000061923198 222064207 /nfs/dbraw/zinc/06/42/07/222064207.db2.gz NQSPFCDXQSLLBF-LJQANCHMSA-N 0 0 382.460 3.722 3 0 GHAFRN CCCCCC(=O)N1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(C)cc1 ZINC000061923041 222064589 /nfs/dbraw/zinc/06/45/89/222064589.db2.gz RUCOTNYZBWUKFL-YPAWHYETSA-N 0 0 396.535 3.920 3 0 GHAFRN O=C(Nc1cc(F)cc(F)c1)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000062178767 222066326 /nfs/dbraw/zinc/06/63/26/222066326.db2.gz WAMQAWARVRFHGW-QXUMQBBKSA-N 0 0 394.377 3.529 1 0 GHAFRN O=C([O-])C1=CCC[N@@H+]([C@H]2CC[C@]3(C2)c2ccccc2Cc2ccccc2C3=O)C1 ZINC000064447042 222070513 /nfs/dbraw/zinc/07/05/13/222070513.db2.gz YHPLTCSZJDWTFK-CPJSRVTESA-N 0 0 387.479 3.981 1 0 GHAFRN O=C([O-])C1=CCC[N@@H+]([C@@H]2CC[C@@]3(C2)c2ccccc2Cc2ccccc2C3=O)C1 ZINC000064447044 222071331 /nfs/dbraw/zinc/07/13/31/222071331.db2.gz YHPLTCSZJDWTFK-CJFMBICVSA-N 0 0 387.479 3.981 1 0 GHAFRN CCOc1ccc(-c2nn3c(nc(C)cc3C)c2CC(=O)N(CC)CC)cc1 ZINC000064540432 222072656 /nfs/dbraw/zinc/07/26/56/222072656.db2.gz IUEKKZWRWOFGRT-UHFFFAOYSA-N 0 0 380.492 3.823 1 0 GHAFRN CCc1ccc(C2=NN(C3N=NC(=S)N3c3ccc(C)cc3)C(=O)CC2)cc1 ZINC000066074787 222136561 /nfs/dbraw/zinc/13/65/61/222136561.db2.gz JHEUGYPITIMMFP-UHFFFAOYSA-N 0 0 391.500 3.958 1 0 GHAFRN Cc1ccc(-n2nc3c4cc(CCc5ccccc5)ccc4[nH]c(=O)n3c2=O)cc1 ZINC000066252847 222139732 /nfs/dbraw/zinc/13/97/32/222139732.db2.gz OEIRQQZGARGKRG-UHFFFAOYSA-N 0 0 396.450 3.833 1 0 GHAFRN COc1ccc(-c2nc3c(cccc3C(=O)Nc3ncccc3O)[nH]2)cc1OC ZINC000071318398 222180695 /nfs/dbraw/zinc/18/06/95/222180695.db2.gz OCSZVHRKACEBJD-UHFFFAOYSA-N 0 0 390.399 3.600 1 0 GHAFRN COc1ccc(CNc2nc(C(F)(F)F)nc(-c3ccco3)c2NC=O)cc1 ZINC000071295096 222180951 /nfs/dbraw/zinc/18/09/51/222180951.db2.gz CIPACNYUQHLDBO-UHFFFAOYSA-N 0 0 392.337 3.944 1 0 GHAFRN CC(C)(C)C(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072103558 222205190 /nfs/dbraw/zinc/20/51/90/222205190.db2.gz WAMMZCGFGBTWTC-GOSISDBHSA-N 0 0 390.890 3.549 1 0 GHAFRN COCCNC(=S)N1CC[C@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 ZINC000072122886 222209729 /nfs/dbraw/zinc/20/97/29/222209729.db2.gz OKLFXMJBQCNBTC-QFBILLFUSA-N 0 0 396.512 3.837 1 0 GHAFRN CCOC(=O)C1=C[C@@H](CC)N(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000072141332 222210979 /nfs/dbraw/zinc/21/09/79/222210979.db2.gz RAUKBDCDDDRGSC-XLIONFOSSA-N 0 0 385.485 3.700 3 0 GHAFRN COc1cc(C(=O)c2sc(-c3ccc(F)cc3)nc2N)cc(OC)c1OC ZINC000084668588 222319469 /nfs/dbraw/zinc/31/94/69/222319469.db2.gz QAYRRRQTOMMYRL-UHFFFAOYSA-N 0 0 388.420 3.788 1 0 GHAFRN COc1ccc(NC(=O)c2cccs2)c(-c2nc3ccccc3[nH]c2=O)c1 ZINC000095561548 222355100 /nfs/dbraw/zinc/35/51/00/222355100.db2.gz ILVRQPDQPYAQJW-UHFFFAOYSA-N 0 0 377.425 3.913 3 0 GHAFRN COC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=S)N[C@@H]1c1ccc(F)cc1 ZINC000095604826 222360068 /nfs/dbraw/zinc/36/00/68/222360068.db2.gz BSCLSCAWTSMTBD-GOSISDBHSA-N 0 0 388.439 3.843 3 0 GHAFRN O=C(C1CCCCC1)N1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccccc1 ZINC000169358689 222537089 /nfs/dbraw/zinc/53/70/89/222537089.db2.gz BKHWATRHOPCZPO-BHIFYINESA-N 0 0 394.519 3.611 1 0 GHAFRN COC(=O)C1=C[C@@H]([C@@H](C)[C@H](OC)c2ccccc2Br)[C@H]2OCC[C@@H]12 ZINC000195471554 222566628 /nfs/dbraw/zinc/56/66/28/222566628.db2.gz FFAUBCGVXAVMOB-LHNYJSQHSA-N 0 0 395.293 3.907 1 0 GHAFRN COc1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4OC)CC3)c2c1 ZINC000096284511 537048759 /nfs/dbraw/zinc/04/87/59/537048759.db2.gz PFRUEKPBGILXQJ-UHFFFAOYSA-N 0 0 390.487 3.851 1 0 GHAFRN C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc21)c1ccc2ccccc2c1 ZINC000058581066 581094740 /nfs/dbraw/zinc/09/47/40/581094740.db2.gz MKYUDVKGSDGIOZ-XIKOKIGWSA-N 0 0 380.469 3.833 1 0 GHAFRN COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1cccnc1)O2 ZINC000026177730 581100309 /nfs/dbraw/zinc/10/03/09/581100309.db2.gz OAJSJJPMPWRFIG-FQEVSTJZSA-N 0 0 382.441 3.611 1 0 GHAFRN NS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2-c2ccc3c(c2)OCO3)cc1 ZINC000028372904 581100810 /nfs/dbraw/zinc/10/08/10/581100810.db2.gz RAMPXBCEBDAPGP-UHFFFAOYSA-N 0 0 389.379 3.675 1 0 GHAFRN COc1ccc2nc(Nc3ccccc3I)oc(=O)c2c1 ZINC000001485516 212247065 /nfs/dbraw/zinc/24/70/65/212247065.db2.gz XWUFGDIXAGRLID-UHFFFAOYSA-N 0 0 394.168 3.545 1 0 GHAFRN O[C@H](c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026008887 212158044 /nfs/dbraw/zinc/15/80/44/212158044.db2.gz CUSOKRAHVMJAMY-SJORKVTESA-N 0 0 398.677 3.860 1 0 GHAFRN CCCCCCc1ccc2c3c(c[nH]c31)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C ZINC000005138877 212147061 /nfs/dbraw/zinc/14/70/61/212147061.db2.gz VUNWDHPWVKPCIS-AVRDEDQJSA-N 0 0 385.552 3.785 1 0 GHAFRN CCOc1cccc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1 ZINC000003815562 220667401 /nfs/dbraw/zinc/66/74/01/220667401.db2.gz ZKXALSMHQSOPKM-UHFFFAOYSA-N 0 0 380.452 3.593 1 0 GHAFRN COc1cc(Br)cc2cc(-c3cn4ccsc4n3)c(=O)oc21 ZINC000013005155 221256675 /nfs/dbraw/zinc/25/66/75/221256675.db2.gz QTJDFOYDWVQRDR-UHFFFAOYSA-N 0 0 377.219 3.940 1 0 GHAFRN CCc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 ZINC000013588361 221275400 /nfs/dbraw/zinc/27/54/00/221275400.db2.gz OKHNCEPMHCDCPT-UHFFFAOYSA-N 0 0 377.416 3.838 1 0 GHAFRN CC(=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1 ZINC000013586290 221275633 /nfs/dbraw/zinc/27/56/33/221275633.db2.gz FQJJCPJSVFSADI-UHFFFAOYSA-N 0 0 393.516 3.613 1 0 GHAFRN CCn1c(=O)c2cn(Cc3cccc4ccccc43)cc2n(CC(C)C)c1=O ZINC000013603338 221276612 /nfs/dbraw/zinc/27/66/12/221276612.db2.gz MNGNIGUAIQKQRO-UHFFFAOYSA-N 0 0 375.472 3.842 1 0 GHAFRN C[C@H]1c2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)NC(C)(C)C)OCO3 ZINC000013604065 221276947 /nfs/dbraw/zinc/27/69/47/221276947.db2.gz COFAFVQWVDODMX-LBPRGKRZSA-N 0 0 380.448 3.635 1 0 GHAFRN Cc1ccc(C)c(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1 ZINC000013761829 221288207 /nfs/dbraw/zinc/28/82/07/221288207.db2.gz FBYPIMFHTBKQTE-UHFFFAOYSA-N 0 0 377.416 3.741 1 0 GHAFRN COc1cccc(CCCOC(=O)[C@@H]2CCCCN2C(=O)NCC(C)(C)C)c1 ZINC000013755849 221287089 /nfs/dbraw/zinc/28/70/89/221287089.db2.gz IAVXVWUUKMTQNT-IBGZPJMESA-N 0 0 390.524 3.781 1 0 GHAFRN CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccc(C(F)(F)F)cn1 ZINC000013746143 221287547 /nfs/dbraw/zinc/28/75/47/221287547.db2.gz GNYTVLMHRKNRII-HHHXNRCGSA-N 0 0 394.422 3.660 1 0 GHAFRN Cn1cc(C2=C(c3c4ccccc4n4c3CCC4)C(=O)NC2=O)c2ccccc21 ZINC000013861100 221291911 /nfs/dbraw/zinc/29/19/11/221291911.db2.gz QJISCZMEOOQPLS-UHFFFAOYSA-N 0 0 381.435 3.646 1 0 GHAFRN O=c1[nH]c(C=Cc2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccccc1 ZINC000013865340 221292812 /nfs/dbraw/zinc/29/28/12/221292812.db2.gz VHARRHXYVHMWPX-DHZHZOJOSA-N 0 0 380.354 3.881 1 0 GHAFRN Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)o1 ZINC000018158292 221389188 /nfs/dbraw/zinc/38/91/88/221389188.db2.gz QIQFEJXKVXDFDD-GASCZTMLSA-N 0 0 375.490 3.680 3 0 aggregator GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3cccc4ccncc43)CC2)c1 ZINC000095567685 136182100 /nfs/dbraw/zinc/18/21/00/136182100.db2.gz ADMXKRWEWGNEET-UHFFFAOYSA-N 0 0 377.517 3.766 1 0 GHAFRN COc1cc2c(c(OC)c1OC)[C@@H](c1cccc(Br)c(=O)c1)CC2 ZINC000027331609 221651825 /nfs/dbraw/zinc/65/18/25/221651825.db2.gz BOZGJNALOLSZHH-CYBMUJFWSA-N 0 0 391.261 3.913 1 0 GHAFRN C[C@H]1CNc2c3c(ncc2O1)sc1c3ncn(-c2ccc(Cl)cc2)c1=O ZINC000028827167 221684529 /nfs/dbraw/zinc/68/45/29/221684529.db2.gz LFUPTQIEOBBAJE-VIFPVBQESA-N 0 0 384.848 3.842 1 0 in-vitro GHAFRN NC(=O)Nc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1 ZINC000049035139 221995332 /nfs/dbraw/zinc/99/53/32/221995332.db2.gz UBDSEVWWOAKNKK-UHFFFAOYSA-N 0 0 386.399 3.700 1 0 GHAFRN CC(C)C[C@H]1n2cncc2CN(C2(c3ccc(Cl)cc3)CC2)S1(=O)=O ZINC000058506757 222053474 /nfs/dbraw/zinc/05/34/74/222053474.db2.gz RRWFXLNFEFJMRB-KRWDZBQOSA-N 0 0 379.913 3.916 1 0 GHAFRN CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)CCC2 ZINC000058582142 222054087 /nfs/dbraw/zinc/05/40/87/222054087.db2.gz QRXBIMZQMNMXMH-PTNGSMBKSA-N 0 0 396.418 3.661 1 0 GHAFRN Cn1c(=O)c2cc(NC(=S)NC3CCCCC3)ccc2n1-c1ccccc1 ZINC000061906985 222062694 /nfs/dbraw/zinc/06/26/94/222062694.db2.gz MNKDMWKCQYHFLX-UHFFFAOYSA-N 0 0 380.517 3.948 3 0 GHAFRN COc1ccc(NC(=O)[C@H]2Cc3c(nccc3-c3ccccc3)O2)cc1OC ZINC000061908911 222062733 /nfs/dbraw/zinc/06/27/33/222062733.db2.gz FJQURZSASOIWBN-HXUWFJFHSA-N 0 0 376.412 3.708 3 0 GHAFRN O=C(Nc1ccccc1)c1cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)on1 ZINC000061905094 222063456 /nfs/dbraw/zinc/06/34/56/222063456.db2.gz IGNVVUIZGPRSKB-QGZVFWFLSA-N 0 0 375.428 3.947 3 0 GHAFRN O=C([O-])C1(O)CC[NH+]([C@H]2CC[C@]3(C2)Cc2ccccc2Cc2ccccc23)CC1 ZINC000064448139 222071127 /nfs/dbraw/zinc/07/11/27/222071127.db2.gz IYAJUPFWKMPDJJ-XUZZJYLKSA-N 0 0 391.511 3.535 1 0 GHAFRN COc1ccc([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2C(C)=O)cc1OC ZINC000064274821 222071151 /nfs/dbraw/zinc/07/11/51/222071151.db2.gz SJYFPJWOZHFCQA-SFHVURJKSA-N 0 0 392.411 3.508 1 0 GHAFRN CC(C)N1CCN(C(=O)c2ccc3scc(C(=O)N4CCCCC4)c3c2)CC1 ZINC000064539339 222072318 /nfs/dbraw/zinc/07/23/18/222072318.db2.gz UYWZQGGEESMROT-UHFFFAOYSA-N 0 0 399.560 3.694 1 0 GHAFRN Cc1c(C(=O)N2CCC(C)CC2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000065254273 222118118 /nfs/dbraw/zinc/11/81/18/222118118.db2.gz KQAXAMRNTMGVRB-UHFFFAOYSA-N 0 0 394.479 3.621 1 0 GHAFRN COc1ccc([C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cn1 ZINC000071334823 222183449 /nfs/dbraw/zinc/18/34/49/222183449.db2.gz KJAITBFWACJZNX-NRFANRHFSA-N 0 0 380.831 3.526 1 0 GHAFRN C[C@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc(Cl)cc2)C1=O ZINC000072105402 222205994 /nfs/dbraw/zinc/20/59/94/222205994.db2.gz PEIHUZHAQMEREF-OAHLLOKOSA-N 0 0 396.628 3.719 1 0 GHAFRN CCCCCC(=O)N1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccccc1 ZINC000072129322 222209705 /nfs/dbraw/zinc/20/97/05/222209705.db2.gz SCDIIBZOOLCLIT-NJYVYQBISA-N 0 0 382.508 3.611 1 0 GHAFRN CNc1nc2ccccc2c(NCc2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000084618980 222317578 /nfs/dbraw/zinc/31/75/78/222317578.db2.gz QKSCWIQFUWFIOY-UHFFFAOYSA-N 0 0 384.443 3.931 1 0 GHAFRN COc1ccc(C(=O)Nc2cc3cc(Br)ccc3n(C)c2=O)cc1 ZINC000084635206 222318544 /nfs/dbraw/zinc/31/85/44/222318544.db2.gz RCKMJRZPGJEVGF-UHFFFAOYSA-N 0 0 387.233 3.562 1 0 GHAFRN O=C(NCc1ccc2c(c1)OCO2)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 ZINC000095571510 222356708 /nfs/dbraw/zinc/35/67/08/222356708.db2.gz QCSUTHWINWRJEK-UHFFFAOYSA-N 0 0 389.333 3.754 3 0 GHAFRN O=C1c2cnn(C3CCCCC3)c2CCCN1C1[C@@H]2CC3C[C@H]1CC(O)(C3)C2 ZINC000095592618 222357788 /nfs/dbraw/zinc/35/77/88/222357788.db2.gz PUMIFTMDJZBAFO-LWEMVKECSA-N 0 0 383.536 3.716 1 0 GHAFRN COc1cc2c(Cc3cc(OC)c(OC)c(OC)c3)c[nH]c2c(OC)c1OC ZINC000095590099 222358046 /nfs/dbraw/zinc/35/80/46/222358046.db2.gz VZQSMOMLYUHSKP-UHFFFAOYSA-N 0 0 387.432 3.810 1 0 GHAFRN COc1cc(-c2c(CO)c(COC(C)=O)cc3ccc4c(c32)OCO4)ccc1O ZINC000096909334 222428555 /nfs/dbraw/zinc/42/85/55/222428555.db2.gz UOSZQYNZVOIJRK-UHFFFAOYSA-N 0 0 396.395 3.505 1 0 GHAFRN CC(C)(C)OC(=O)N1O[C@@H]2CC[C@H]1C21CCN(c2ccc(N)cc2F)CC1 ZINC000084669103 534866529 /nfs/dbraw/zinc/86/65/29/534866529.db2.gz VGHKWUJMJQOSOD-DLBZAZTESA-N 0 0 377.460 3.708 1 0 GHAFRN C[C@H]1CN2c3cc(Cl)ccc3CC3(C(=O)CC(C)(C)CC3=O)[C@@H]2[C@H](C)O1 ZINC000004915335 570417802 /nfs/dbraw/zinc/41/78/02/570417802.db2.gz MENIYLNVAVZYIW-JMERFSKESA-N 0 0 375.896 3.823 2 0 GHAFRN Cc1ccc(Nc2nnc3n2S(=O)(=O)c2cc(C)c(Cl)cc2S3)cc1 ZINC000001865114 212258838 /nfs/dbraw/zinc/25/88/38/212258838.db2.gz VOHDHBRXNPVXBN-UHFFFAOYSA-N 0 0 392.893 3.994 1 0 GHAFRN CC[C@H](OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1 ZINC000001381344 212241938 /nfs/dbraw/zinc/24/19/38/212241938.db2.gz BYVGVYCVFJGXSL-QMMMGPOBSA-N 0 0 379.290 3.763 3 0 GHAFRN COC[C@H]1CCN(C(=O)c2cc(COc3ccc(OC)c4ccccc34)on2)C1 ZINC000011946551 212077782 /nfs/dbraw/zinc/07/77/82/212077782.db2.gz KYXVZJYCLLDOEF-HNNXBMFYSA-N 0 0 396.443 3.524 3 0 GHAFRN CC(C)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1 ZINC000003428958 220643591 /nfs/dbraw/zinc/64/35/91/220643591.db2.gz QGSONPBHEZEYQT-GOSISDBHSA-N 0 0 390.480 3.741 3 0 GHAFRN CC1=C(C(=O)N2CCN(c3cc(C)ccc3C)CC2)C2(CCCCC2)OC1=O ZINC000004924858 220792059 /nfs/dbraw/zinc/79/20/59/220792059.db2.gz ZNELIIRBEAQCEE-UHFFFAOYSA-N 0 0 382.504 3.528 3 0 GHAFRN COC(=O)c1c2c(ccc1O)n(Cc1ccccn1)c1c2Cc2ccccc2C1=O ZINC000012948001 221250581 /nfs/dbraw/zinc/25/05/81/221250581.db2.gz WDDWNDZVPXIOJP-UHFFFAOYSA-N 0 0 398.418 3.712 1 0 GHAFRN CSc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 ZINC000013588355 221275454 /nfs/dbraw/zinc/27/54/54/221275454.db2.gz ZSYWCRSXTZRSPP-UHFFFAOYSA-N 0 0 395.456 3.997 1 0 GHAFRN COc1ccc(C(=O)c2c3ccccc3n3c2[C@H](N2CCOCC2)CC3)cc1 ZINC000013447494 221268996 /nfs/dbraw/zinc/26/89/96/221268996.db2.gz JOBXDAPUJLLRDQ-HXUWFJFHSA-N 0 0 376.456 3.658 1 0 GHAFRN CS(=O)(=O)c1ccc(-c2cc3c(cc2C(=O)c2ccccc2)OCO3)cc1 ZINC000013530440 221271508 /nfs/dbraw/zinc/27/15/08/221271508.db2.gz CSGWKJQRSKSOBM-UHFFFAOYSA-N 0 0 380.421 3.717 1 0 GHAFRN COc1cc2[nH]ccc2cc1C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000013538756 221271950 /nfs/dbraw/zinc/27/19/50/221271950.db2.gz WSNFPBCSELMSKA-DLBZAZTESA-N 0 0 377.488 3.912 1 0 GHAFRN COc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1C ZINC000013525208 221272072 /nfs/dbraw/zinc/27/20/72/221272072.db2.gz TYOPHOWLIWUDSN-UHFFFAOYSA-N 0 0 376.865 3.913 1 0 GHAFRN COC(=O)[C@H](NC(=O)c1cc(-c2cc[nH]c2)nc2ccccc21)c1ccccc1 ZINC000013762370 221288318 /nfs/dbraw/zinc/28/83/18/221288318.db2.gz PKIJUVYMTMPTHR-OAQYLSRUSA-N 0 0 385.423 3.874 1 0 GHAFRN COc1ccc(-c2c3cc(OC)c(OC)cc3cc(CO)c2CO)cc1OC ZINC000013756801 221286389 /nfs/dbraw/zinc/28/63/89/221286389.db2.gz XLIGEVMSLRBZGG-UHFFFAOYSA-N 0 0 384.428 3.526 1 0 GHAFRN Cc1ccsc1CN1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 ZINC000015779180 221345039 /nfs/dbraw/zinc/34/50/39/221345039.db2.gz MRXABQZLZFSAGS-UHFFFAOYSA-N 0 0 380.473 3.877 1 0 GHAFRN COc1ccc([C@H]2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc1 ZINC000017221728 221380860 /nfs/dbraw/zinc/38/08/60/221380860.db2.gz BMKFXNMFVDIFAA-LJQANCHMSA-N 0 0 392.484 3.865 1 0 GHAFRN Nc1n[nH]c2c1S(=O)(=O)c1ccc(Cl)cc1N2c1cccc(Cl)c1 ZINC000042878164 132414612 /nfs/dbraw/zinc/41/46/12/132414612.db2.gz OJFPSWRBJLBXTA-UHFFFAOYSA-N 0 0 381.244 3.915 1 0 GHAFRN COc1cc2c(cc1OC)-c1c(-c3cccc(N4CCOCC4)c3)ncn1CC2 ZINC000084617132 136175059 /nfs/dbraw/zinc/17/50/59/136175059.db2.gz SNNCEZIHQHWPHU-UHFFFAOYSA-N 0 0 391.471 3.627 1 0 GHAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCc1c[nH]c2ccccc12 ZINC000026946343 221649047 /nfs/dbraw/zinc/64/90/47/221649047.db2.gz AITABRKLBNEREF-LJQANCHMSA-N 0 0 398.503 3.640 1 0 GHAFRN CN(C)c1ccc([C@H]2CC(=O)c3c(=O)c4cc(Cl)ccc4n(O)c3C2)cc1 ZINC000027091247 221649657 /nfs/dbraw/zinc/64/96/57/221649657.db2.gz MSMVNUSWGTUJEC-CYBMUJFWSA-N 0 0 382.847 3.871 1 0 GHAFRN COC(=O)c1cccc(-c2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1 ZINC000026481601 221641319 /nfs/dbraw/zinc/64/13/19/221641319.db2.gz BPCIXNMRXZTHRE-UHFFFAOYSA-N 0 0 381.384 3.615 1 0 GHAFRN O=C(c1ccco1)c1nc2ccc(C(F)(F)F)cc2[n+]([O-])c1C(F)(F)F ZINC000028861833 221683729 /nfs/dbraw/zinc/68/37/29/221683729.db2.gz QOIGTJUTNWDUIX-UHFFFAOYSA-N 0 0 376.212 3.730 1 0 GHAFRN CC(=O)O[C@]1(C)CC[C@H]2[C@H]3[C@@H]1[C@@H]1C/C(C)=C\CC[C@](C)(OC(=O)[C@@H]2C)[C@H]3O1 ZINC000032296629 221721106 /nfs/dbraw/zinc/72/11/06/221721106.db2.gz QQZBIRHKOVCIIO-VEDODTPPSA-N 0 0 376.493 3.800 1 0 GHAFRN CC(=O)Nc1cc(-c2cccc(C(F)(F)F)c2)nc(-n2nc(C)cc2C)n1 ZINC000040980923 221936805 /nfs/dbraw/zinc/93/68/05/221936805.db2.gz QLYCOMFUURXRFD-UHFFFAOYSA-N 0 0 375.354 3.923 1 0 GHAFRN COc1cc([C@H]2CC(c3cccc(Br)c3)=NN2)cc(OC)c1OC ZINC000058582394 222053972 /nfs/dbraw/zinc/05/39/72/222053972.db2.gz PFYWXHDNONQBLW-OAHLLOKOSA-N 0 0 391.265 3.914 1 0 GHAFRN COC(=O)c1c2cc(OC)ccc2sc1-c1ccc(S(C)(=O)=O)cc1 ZINC000061947991 222064786 /nfs/dbraw/zinc/06/47/86/222064786.db2.gz BNELERHTDAFBTA-UHFFFAOYSA-N 0 0 376.455 3.767 3 0 GHAFRN FC(F)(F)Oc1ccc(Nc2ncnc3c2cnn3Cc2ccncc2)cc1 ZINC000064540247 222072513 /nfs/dbraw/zinc/07/25/13/222072513.db2.gz MLAIONZVQZBMNT-UHFFFAOYSA-N 0 0 386.337 3.912 1 0 GHAFRN CCCCOC(=O)CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC ZINC000066077183 222136649 /nfs/dbraw/zinc/13/66/49/222136649.db2.gz DJOMCBQXXRNZDU-UHFFFAOYSA-N 0 0 388.917 3.767 1 0 GHAFRN Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)NC[C@@H](C)C(=O)S3)c1 ZINC000066259717 222139662 /nfs/dbraw/zinc/13/96/62/222139662.db2.gz ZQUWJYMKXDFQKZ-CYBMUJFWSA-N 0 0 376.503 3.785 1 0 GHAFRN CCCc1c(OS(N)(=O)=O)ccc2c1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000084602497 222317680 /nfs/dbraw/zinc/31/76/80/222317680.db2.gz JXLZMUFNHKEMLU-RDBAUFEQSA-N 0 0 391.533 3.647 1 0 GHAFRN [NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc(O)c1)C(=O)[O-] ZINC000084616032 222318856 /nfs/dbraw/zinc/31/88/56/222318856.db2.gz YRZUVFQUSAVADR-FQEVSTJZSA-N 0 0 379.481 3.829 1 0 GHAFRN NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000095590079 222358564 /nfs/dbraw/zinc/35/85/64/222358564.db2.gz TVLLMAWPUQUHII-UHFFFAOYSA-N 0 0 382.445 3.613 1 0 GHAFRN CC[C@@H](C)NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000096927467 222431011 /nfs/dbraw/zinc/43/10/11/222431011.db2.gz DWQMKGWYYGXMGT-VFNWGFHPSA-N 0 0 393.487 3.808 1 0 GHAFRN COCCO[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)O ZINC000118921480 222522961 /nfs/dbraw/zinc/52/29/61/222522961.db2.gz UESTZPINGWOTMQ-VMMTXMNJSA-N 0 0 392.580 3.949 1 0 GHAFRN COc1cccc(-c2cc3n(n2)c2cc(-c4cccnc4)ccc2c(=O)n3C)c1 ZINC000169350939 222536293 /nfs/dbraw/zinc/53/62/93/222536293.db2.gz LRTXEOPMFIMVAV-UHFFFAOYSA-N 0 0 382.423 3.924 1 0 GHAFRN CCC[C@H]1CC(=O)Oc2c(C(=O)[C@@H](C)[C@@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 ZINC000006381342 570478349 /nfs/dbraw/zinc/47/83/49/570478349.db2.gz QVXVUACNNIWBIU-XQQFMLRXSA-N 0 0 388.460 3.969 1 0 GHAFRN COc1ccc2c(c1)NC(=O)Cc1cnc(Nc3ccc(O)c(Cl)c3)nc1-2 ZINC000045366067 581095697 /nfs/dbraw/zinc/09/56/97/581095697.db2.gz RHNQIPARHTZKOF-UHFFFAOYSA-N 0 0 382.807 3.749 1 0 GHAFRN CCOc1ccc(Cl)c([C@H]2C[C@@H]2NC(=O)Nc2cc(Cl)cnn2)c1F ZINC000027417026 581095777 /nfs/dbraw/zinc/09/57/77/581095777.db2.gz UKROUTQOUAGVLP-ONGXEEELSA-N 0 0 385.226 3.999 1 0 GHAFRN CCOC(=O)[C@@]1(C(C)(C)CC)C[C@H](CSc2nc3ccccc3[nH]2)OC1=O ZINC000000801946 212182922 /nfs/dbraw/zinc/18/29/22/212182922.db2.gz KWHDETQJPVQORG-XCLFUZPHSA-N 0 0 390.505 3.956 3 0 GHAFRN O=C1NC(=O)C(CSCc2cccs2)(CSCc2cccs2)N1 ZINC000006567187 212148359 /nfs/dbraw/zinc/14/83/59/212148359.db2.gz DAFKXHCLLOCJAA-UHFFFAOYSA-N 0 0 384.573 3.554 1 0 GHAFRN CC(C)Cc1cc(C(=O)NC[C@H]2Cc3cc(F)cc(-c4ccccn4)c3O2)no1 ZINC000011995617 221141896 /nfs/dbraw/zinc/14/18/96/221141896.db2.gz TZBSKIVVRCJYAT-QGZVFWFLSA-N 0 0 395.434 3.808 1 0 GHAFRN CC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2C(=O)c2ccccc2C)C1 ZINC000013442756 221267930 /nfs/dbraw/zinc/26/79/30/221267930.db2.gz CCRFCGHOYQIIGP-UHFFFAOYSA-N 0 0 384.501 3.787 1 0 GHAFRN Cc1ccccc1-c1nc2c(ncn2C)c(N(C(N)=O)c2c(F)cccc2F)n1 ZINC000013488581 221270762 /nfs/dbraw/zinc/27/07/62/221270762.db2.gz KJQHSBCTSWILOS-UHFFFAOYSA-N 0 0 394.385 3.834 1 0 GHAFRN C[C@H]1Cc2cc(-c3c(Cl)ncn3-c3ccc(S(C)(=O)=O)cc3)ccc2O1 ZINC000013525259 221272165 /nfs/dbraw/zinc/27/21/65/221272165.db2.gz ZNAQBURSZATEMA-LBPRGKRZSA-N 0 0 388.876 3.920 1 0 GHAFRN COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3c2cccc3F)cc1 ZINC000013742512 221286320 /nfs/dbraw/zinc/28/63/20/221286320.db2.gz OTGOWJVUHCAESM-UHFFFAOYSA-N 0 0 396.462 3.661 1 0 GHAFRN CC(=O)Nc1ccc(SC[C@H](c2ccccc2)N2CCN(C)CCC2=O)cc1 ZINC000013830928 221291670 /nfs/dbraw/zinc/29/16/70/221291670.db2.gz VIPILSXZOKETES-OAQYLSRUSA-N 0 0 397.544 3.643 1 0 GHAFRN Cc1ccn2c(nc(-c3ccc(S(C)(=O)=O)cc3)c2-c2ccc(F)cc2)n1 ZINC000013861649 221292111 /nfs/dbraw/zinc/29/21/11/221292111.db2.gz SKYIVWJBKMFWSF-UHFFFAOYSA-N 0 0 381.432 3.914 1 0 GHAFRN O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2cccc(F)c2)C1 ZINC000014973977 221323111 /nfs/dbraw/zinc/32/31/11/221323111.db2.gz UVUJCOVQEUZIEX-CYBMUJFWSA-N 0 0 378.245 3.989 1 0 GHAFRN COc1ccc(-c2c3c(c(OC)c4cc5c(cc42)OCO5)COC3=O)cc1OC ZINC000014640995 221314391 /nfs/dbraw/zinc/31/43/91/221314391.db2.gz SFPLCCUNXOBTQY-UHFFFAOYSA-N 0 0 394.379 3.932 1 0 biogenic,in-vitro GHAFRN Cc1nn(C(=O)c2ccncc2)c2c1[C@@H](c1ccc(Cl)cc1)SC(=N)N2 ZINC000017222154 221380932 /nfs/dbraw/zinc/38/09/32/221380932.db2.gz FTVCYNWDCDFJME-OAHLLOKOSA-N 0 0 383.864 3.711 1 0 GHAFRN C[C@@H]1[C@H](N2CCOCC2)Oc2cc3c(cc2[C@@H]1c1ccc(Cl)cc1)OCO3 ZINC000017250829 221382806 /nfs/dbraw/zinc/38/28/06/221382806.db2.gz MTZMFRTXAVZTJP-SKOKVVANSA-N 0 0 387.863 3.887 1 0 GHAFRN Cc1ccccc1N1CCN(Cc2c(C)cc(Cl)cc2Cl)C(=O)C1=O ZINC000095565477 136182064 /nfs/dbraw/zinc/18/20/64/136182064.db2.gz YUWFOZRCYFPEGA-UHFFFAOYSA-N 0 0 377.271 3.986 1 0 GHAFRN Cc1cccc(C)c1N1CCN(Cc2cccc(Cl)c2Cl)C(=O)C1=O ZINC000095565572 136182113 /nfs/dbraw/zinc/18/21/13/136182113.db2.gz AAFWZBHKJVDTIK-UHFFFAOYSA-N 0 0 377.271 3.986 1 0 GHAFRN COc1ccnc(NC(=S)N2CCN(c3ccccc3C(F)(F)F)CC2)c1 ZINC000095568661 136182124 /nfs/dbraw/zinc/18/21/24/136182124.db2.gz VYUPBJKWFOCJGI-UHFFFAOYSA-N 0 0 396.438 3.628 1 0 GHAFRN Cn1c2cc(Br)sc2c2cnn(Cc3ccc(F)cc3)c(=O)c21 ZINC000036380682 221854851 /nfs/dbraw/zinc/85/48/51/221854851.db2.gz JCPGCVQYNOUWIO-UHFFFAOYSA-N 0 0 392.253 3.900 1 0 GHAFRN CC(=O)Nc1ccc(NC(=O)[C@H]2Cc3c(nccc3-c3cccc(F)c3)O2)cc1 ZINC000061905838 222062417 /nfs/dbraw/zinc/06/24/17/222062417.db2.gz YFUZWAFHPVKVGC-HXUWFJFHSA-N 0 0 391.402 3.788 3 0 GHAFRN C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccc2c(c1)OCCO2 ZINC000061895630 222063274 /nfs/dbraw/zinc/06/32/74/222063274.db2.gz ZTRDCRUMSGQMDQ-HSZRJFAPSA-N 0 0 389.455 3.609 3 0 GHAFRN O=C1c2ccccc2[C@@H]2C[C@@H](O)[C@H](Nc3cccc(C(F)(F)F)c3)CCN12 ZINC000061959053 222064023 /nfs/dbraw/zinc/06/40/23/222064023.db2.gz DMENQBCFAUPPBT-FGTMMUONSA-N 0 0 376.378 3.838 3 0 GHAFRN Fc1cc(Cl)ccc1[C@H](c1cccnc1)N1CCN(c2ncccn2)CC1 ZINC000072103510 222205855 /nfs/dbraw/zinc/20/58/55/222205855.db2.gz YCQPCBFJPLNTKD-IBGZPJMESA-N 0 0 383.858 3.576 1 0 GHAFRN O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1cccc(O)c1 ZINC000072126275 222208601 /nfs/dbraw/zinc/20/86/01/222208601.db2.gz DCLBWFUWIDTGMH-UHFFFAOYSA-N 0 0 377.425 3.912 1 0 GHAFRN O=C(Cc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)OCCO3)s1 ZINC000072123148 222209402 /nfs/dbraw/zinc/20/94/02/222209402.db2.gz PIPSZSPPGCWNAF-UHFFFAOYSA-N 0 0 387.848 3.811 1 0 GHAFRN CCOC(=O)C1=CC[C@H](c2ccccc2C)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000072139221 222211502 /nfs/dbraw/zinc/21/15/02/222211502.db2.gz PZGPUYGYQKYSTO-OAQYLSRUSA-N 0 0 399.512 3.929 3 0 GHAFRN CCCNC(=O)c1c(NC(=O)C23C[C@H]4CC2C[C@@H](C3)C4)sc2c1CCOC2 ZINC000084615407 222318067 /nfs/dbraw/zinc/31/80/67/222318067.db2.gz VMWBKOHAYXYOPX-LSSCCRBESA-N 0 0 388.533 3.725 1 0 GHAFRN CCCS(=O)(=O)c1ccc2[nH]c(-c3cn(-c4ccccc4)ccc3=O)nc2c1 ZINC000084672170 222319199 /nfs/dbraw/zinc/31/91/99/222319199.db2.gz IGDKFGZQZAKEIU-UHFFFAOYSA-N 0 0 393.468 3.565 1 0 GHAFRN CN(C)C(=O)Oc1ccc2cc(C(=O)NC3CC3)ccc2c1Br ZINC000084687812 222319971 /nfs/dbraw/zinc/31/99/71/222319971.db2.gz LFMLEQKAIVQUGX-UHFFFAOYSA-N 0 0 377.238 3.555 1 0 GHAFRN COc1cc(-c2c(CO)c(CO)c3sc4ccccc4n32)cc(OC)c1OC ZINC000084714693 222322009 /nfs/dbraw/zinc/32/20/09/222322009.db2.gz SAMARHRKQADKQS-UHFFFAOYSA-N 0 0 399.468 3.831 1 0 GHAFRN Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccccc3)OC[C@@H]2C(C)C)cc1 ZINC000095569249 222356012 /nfs/dbraw/zinc/35/60/12/222356012.db2.gz JXUACXIOEDUTRH-CTNGQTDRSA-N 0 0 387.501 3.640 3 0 GHAFRN O=C(NC1CCCCC1)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccccc1 ZINC000095569042 222356569 /nfs/dbraw/zinc/35/65/69/222356569.db2.gz IZKPAUOUOPSSOY-QFIPXVFZSA-N 0 0 378.472 3.598 3 0 GHAFRN Cc1cccc(C(=O)N[C@H]2CCC[C@@]3(CN=C(c4cccc(Cl)c4)O3)C2)n1 ZINC000095590499 222358023 /nfs/dbraw/zinc/35/80/23/222358023.db2.gz JUFSRROJKRHALC-UWJYYQICSA-N 0 0 383.879 3.932 1 0 GHAFRN COc1ccc(C(=O)c2cn(C(C)=O)c3c2cc(OC)c(OC)c3OC)cc1 ZINC000095589440 222358612 /nfs/dbraw/zinc/35/86/12/222358612.db2.gz NRURBMACQXQYEI-UHFFFAOYSA-N 0 0 383.400 3.567 1 0 GHAFRN C[C@@H]1C[C@H](C)CN2c3cc(Cl)ccc3CC3(C(=O)OC(C)(C)OC3=O)[C@@H]12 ZINC000004915563 570418085 /nfs/dbraw/zinc/41/80/85/570418085.db2.gz FYAHIASZIXZWBI-HWWQOWPSSA-N 0 0 377.868 3.570 2 0 GHAFRN CNC(=[NH2+])NC[C@]1(C)[C@H]2CC3=C(C(=O)[O-])CC[C@]31[C@H](C)C[C@@H]2Cc1ccccc1 ZINC000085549093 291131990 /nfs/dbraw/zinc/13/19/90/291131990.db2.gz QBMPKNQHHUYMMQ-ASUYZYSISA-N 0 0 395.547 3.816 1 0 biogenic,in-vitro GHAFRN CCOC(=O)c1[nH]c2nc(SC)nc(Nc3ccccc3Cl)c2c1N ZINC000001860136 212258931 /nfs/dbraw/zinc/25/89/31/212258931.db2.gz BTBMMJOSJLJUCD-UHFFFAOYSA-N 0 0 377.857 3.836 1 0 GHAFRN CO[C@@H](C(=O)O[C@H]1C=C[C@@]2(CC1)c1ccccc1N(C)C2=O)c1ccccc1 ZINC000001654035 212252597 /nfs/dbraw/zinc/25/25/97/212252597.db2.gz COUDXZSBSIFFMV-XTQVGHSUSA-N 0 0 377.440 3.550 1 0 GHAFRN C[C@H](SC(=S)N1CCCC1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000001658306 212251477 /nfs/dbraw/zinc/25/14/77/212251477.db2.gz IJFKIXCNVIJTIE-JTQLQIEISA-N 0 0 396.925 3.831 1 0 GHAFRN CC(C)CNc1nc(=O)c2cnn3c2n1CC=C3c1cccc(C(F)(F)F)c1 ZINC000000597167 212163608 /nfs/dbraw/zinc/16/36/08/212163608.db2.gz UXYMNHRBNKGXKO-UHFFFAOYSA-N 0 0 389.381 3.583 1 0 GHAFRN COc1cc(-c2c3c(c(OC)c4cc(OC)c(OC)cc42)COC3=O)ccc1O ZINC000014640965 212117427 /nfs/dbraw/zinc/11/74/27/212117427.db2.gz AIILOHJZHOBSKD-UHFFFAOYSA-N 0 0 396.395 3.917 1 0 GHAFRN Cn1c(C(=O)O[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc2sccc21 ZINC000004093172 220681163 /nfs/dbraw/zinc/68/11/63/220681163.db2.gz NERJLFXZYXRXSA-GOSISDBHSA-N 0 0 383.473 3.592 3 0 GHAFRN Cc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)ccc1NC(=O)c1cccs1 ZINC000004893311 220784764 /nfs/dbraw/zinc/78/47/64/220784764.db2.gz CNQOXUFZGNKQCS-GGNLRSJOSA-N 0 0 378.453 3.620 1 0 GHAFRN COC(=O)[C@@H]1CO[C@@H](C(C)(C)C)N1C(=O)C(c1ccccc1)c1ccccc1 ZINC000005714678 220894335 /nfs/dbraw/zinc/89/43/35/220894335.db2.gz NZXCHVDBYTZBPG-AVRDEDQJSA-N 0 0 381.472 3.591 1 0 GHAFRN COc1ccc([C@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc1 ZINC000005742175 220896847 /nfs/dbraw/zinc/89/68/47/220896847.db2.gz DZUFSKZKHQBCJI-LJQANCHMSA-N 0 0 396.395 3.512 1 0 GHAFRN CCCC[C@H](NC(=O)OCC(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013589436 221275777 /nfs/dbraw/zinc/27/57/77/221275777.db2.gz YLWXDDOAYCMENH-WBVHZDCISA-N 0 0 376.497 3.764 1 0 GHAFRN COc1ccnc(C[S@@](=O)c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c1C ZINC000013452024 221268705 /nfs/dbraw/zinc/26/87/05/221268705.db2.gz JAJVJKRIHGUXJX-MHZLTWQESA-N 0 0 399.394 3.524 1 0 GHAFRN Cc1c(C[S@](=O)c2nc3cscc3[nH]2)nccc1OCC(F)(F)F ZINC000013448721 221269190 /nfs/dbraw/zinc/26/91/90/221269190.db2.gz UMZLOYDUDZDEAD-XMMPIXPASA-N 0 0 375.397 3.577 1 0 GHAFRN O=C1c2ccccc2N=C1C1C(=O)Nc2cc(I)ccc21 ZINC000013559458 221273152 /nfs/dbraw/zinc/27/31/52/221273152.db2.gz NRQCVZPNBUOBQY-UHFFFAOYSA-N 0 0 388.164 3.795 1 0 GHAFRN O=C1CCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCNC1=O)N2 ZINC000013579994 221274036 /nfs/dbraw/zinc/27/40/36/221274036.db2.gz JSKNWGFCQXEZPJ-AWEZNQCLSA-N 0 0 377.213 3.506 1 0 GHAFRN Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000013762100 221288557 /nfs/dbraw/zinc/28/85/57/221288557.db2.gz FEQFZJTZQQDSKI-UHFFFAOYSA-N 0 0 381.379 3.514 1 0 GHAFRN COc1ccc(C(=O)O[C@@H](c2ccc3c(c2)OCO3)[C@H](C)C(C)=O)cc1OC ZINC000014694304 221314539 /nfs/dbraw/zinc/31/45/39/221314539.db2.gz QOWUMGSABYJQDH-MPBGBICISA-N 0 0 386.400 3.556 1 0 biogenic,in-vitro GHAFRN C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C(=O)[C@@H]21 ZINC000017988093 221386332 /nfs/dbraw/zinc/38/63/32/221386332.db2.gz FIHGMZOHBKERKD-MJXNMMHHSA-N 0 0 378.403 3.780 1 0 GHAFRN COc1ccnc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000095567985 136182078 /nfs/dbraw/zinc/18/20/78/136182078.db2.gz FDZQTZFUJWJRKL-UHFFFAOYSA-N 0 0 396.438 3.628 1 0 GHAFRN CNC(=O)C[C@H](c1ccccc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000034987602 221811063 /nfs/dbraw/zinc/81/10/63/221811063.db2.gz NVIKCWYPJJVZMW-IRLDBZIGSA-N 0 0 381.520 3.731 1 0 GHAFRN COC(=O)CNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043062149 221946022 /nfs/dbraw/zinc/94/60/22/221946022.db2.gz IAEAPYMHPMMXSH-UHFFFAOYSA-N 0 0 378.472 3.605 1 0 GHAFRN CCN1CCN(C(=O)c2cn3c4c2cccc4OC[C@@H]3C2CCCCC2)CC1 ZINC000058511531 222054612 /nfs/dbraw/zinc/05/46/12/222054612.db2.gz XBCRAXXZICHFOK-HXUWFJFHSA-N 0 0 381.520 3.933 1 0 GHAFRN CC(C)CCNC(=O)[C@H]1C[C@@H]2Cn3c4cc(Cl)c(Cl)cc4nc3[C@@H]2N1C ZINC000059920416 222058573 /nfs/dbraw/zinc/05/85/73/222058573.db2.gz VWSQNAZBLCEOES-SSKCKEOISA-N 0 0 395.334 3.880 1 0 GHAFRN COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)c1ccccc1 ZINC000071294298 222180589 /nfs/dbraw/zinc/18/05/89/222180589.db2.gz CLGDYAWRUFOLPO-UHFFFAOYSA-N 0 0 387.391 3.897 1 0 GHAFRN CC(C)(C)CC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072101658 222205399 /nfs/dbraw/zinc/20/53/99/222205399.db2.gz JTPSCQDQJOPQRD-HXUWFJFHSA-N 0 0 386.927 3.800 1 0 GHAFRN Nc1cccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)c1 ZINC000072126274 222208357 /nfs/dbraw/zinc/20/83/57/222208357.db2.gz ATEBSNHMECAWFP-UHFFFAOYSA-N 0 0 376.441 3.788 1 0 GHAFRN CCN(CC)C(=O)Cn1c2nc3ccccc3c(C)c2c(=O)n1-c1ccccc1 ZINC000073163797 222267183 /nfs/dbraw/zinc/26/71/83/222267183.db2.gz ISSUREOXCMUFPY-UHFFFAOYSA-N 0 0 388.471 3.517 1 0 GHAFRN Cc1ccc(S(=O)(=O)N[C@H](/C(=C/c2ccoc2)[N+](=O)[O-])c2ccco2)cc1 ZINC000084669542 222320155 /nfs/dbraw/zinc/32/01/55/222320155.db2.gz JBNNFVNARIQZOE-MUMAZLPKSA-N 0 0 388.401 3.518 1 0 GHAFRN CC(C)Oc1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1ccccc1)CC2 ZINC000095561740 222355533 /nfs/dbraw/zinc/35/55/33/222355533.db2.gz CEHHNWWETJPKKV-UHFFFAOYSA-N 0 0 389.459 3.916 1 0 GHAFRN Cc1cccc(C)c1-n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCC(C)C ZINC000095571173 222356111 /nfs/dbraw/zinc/35/61/11/222356111.db2.gz LWQKGYBFHTWLOS-FQEVSTJZSA-N 0 0 375.476 3.870 3 0 GHAFRN Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@]23c2ccc(F)cc2)cc1 ZINC000103226496 222492360 /nfs/dbraw/zinc/49/23/60/222492360.db2.gz VZLXXLPUGXRTCA-XMMPIXPASA-N 0 0 386.426 3.947 1 0 GHAFRN COc1ccc(-c2nc3nc(N)nc(N)c3nc2-c2ccccc2Cl)cc1 ZINC000138578321 222528535 /nfs/dbraw/zinc/52/85/35/222528535.db2.gz PNYHUCREDKETAM-UHFFFAOYSA-N 0 0 378.823 3.580 1 0 GHAFRN CC1(C)Oc2ccc(C(=O)N3CCCC3)cc2N(CCc2ccccc2)C1=O ZINC000000795285 520615137 /nfs/dbraw/zinc/61/51/37/520615137.db2.gz ZVAZUUXOJQPFON-UHFFFAOYSA-N 0 0 378.472 3.669 1 0 GHAFRN CCC[C@H]1CC(=O)Oc2c(C(=O)[C@H](C)[C@@H](C)O)c(O)c3c(c21)OC(C)(C)C=C3 ZINC000006381344 570478188 /nfs/dbraw/zinc/47/81/88/570478188.db2.gz QVXVUACNNIWBIU-UPJWGTAASA-N 0 0 388.460 3.969 1 0 GHAFRN C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1O)C(=O)OC3)O2 ZINC000033505431 571045729 /nfs/dbraw/zinc/04/57/29/571045729.db2.gz HKNSYAPUOMHZDE-RCJATNNHSA-N 0 0 386.488 3.970 1 0 GHAFRN CCCc1cc(=O)oc2c3c(c(C(=O)[C@@H](C)CC)c(O)c12)O[C@@H](C(C)(C)O)C3 ZINC000014584372 574413485 /nfs/dbraw/zinc/41/34/85/574413485.db2.gz KTJYLXIAFCVVBF-SMDDNHRTSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ncccn4)c3c2)cc1 ZINC000028957604 581098419 /nfs/dbraw/zinc/09/84/19/581098419.db2.gz VTLAREVWFKEHIV-UHFFFAOYSA-N 0 0 391.456 3.807 1 0 GHAFRN COc1cc(-c2ccc3cc4c(cc3c2N(C)C=O)OCO4)c(OC)cc1O ZINC000013372804 291132370 /nfs/dbraw/zinc/13/23/70/291132370.db2.gz AJUZAYXNOVJWML-UHFFFAOYSA-N 0 0 381.384 3.551 1 0 biogenic,in-vitro GHAFRN COc1ccc(-n2ncc3c2ncnc3Nc2ccc(OC)cc2OC)cc1 ZINC000000756749 212179517 /nfs/dbraw/zinc/17/95/17/212179517.db2.gz IKARNPJCGJTUFR-UHFFFAOYSA-N 0 0 377.404 3.585 1 0 GHAFRN O=C(CCN1CCN(c2ccccc2Cl)CC1)Nc1ccc(F)cc1F ZINC000028647092 212157588 /nfs/dbraw/zinc/15/75/88/212157588.db2.gz ZOBAANBLWZHPST-UHFFFAOYSA-N 0 0 379.838 3.769 1 0 GHAFRN COc1ccc(-n2c(=O)c(C)nc3cnc(Oc4cccc(Cl)c4)nc32)cc1 ZINC000004238332 220695176 /nfs/dbraw/zinc/69/51/76/220695176.db2.gz RYKRVUDCJPBVOK-UHFFFAOYSA-N 0 0 394.818 3.938 1 0 GHAFRN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cnccn2)cc1 ZINC000012373603 221186045 /nfs/dbraw/zinc/18/60/45/221186045.db2.gz WOQICWUQTXWZGR-GOSISDBHSA-N 0 0 375.476 3.767 3 0 GHAFRN CCCn1c2[nH]c([C@H]3CCC[C@@H]3c3ccccc3)nc2c(=O)n(CCC)c1=O ZINC000012405522 221188725 /nfs/dbraw/zinc/18/87/25/221188725.db2.gz YVSLCJDYNIHYIX-SJORKVTESA-N 0 0 380.492 3.758 1 0 GHAFRN CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(Cl)c2-c2ccccc2)nc1 ZINC000013588365 221275756 /nfs/dbraw/zinc/27/57/56/221275756.db2.gz OWMBMUUQITWECC-UHFFFAOYSA-N 0 0 383.807 3.929 1 0 GHAFRN c1ccc(-c2nnc3c4c(c(OCc5ncccn5)nn23)C2CCC4CC2)cc1 ZINC000013610281 221277328 /nfs/dbraw/zinc/27/73/28/221277328.db2.gz GZPJZUILYCOUHJ-UHFFFAOYSA-N 0 0 384.443 3.915 1 0 GHAFRN O=S1(=O)c2ccccc2CCC12CCN(CCc1ccc(F)cc1F)CC2 ZINC000013472070 221269035 /nfs/dbraw/zinc/26/90/35/221269035.db2.gz MWKPULBVVRSUJC-UHFFFAOYSA-N 0 0 391.483 3.762 1 0 GHAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccccc2)C1=O ZINC000013732766 221286197 /nfs/dbraw/zinc/28/61/97/221286197.db2.gz NMMBVQWYWVQIEA-NRFANRHFSA-N 0 0 384.439 3.648 1 0 GHAFRN COc1ccc(C(=O)c2c(C)n(CCN3CCO[C@H](C)C3)c3ccccc32)cc1 ZINC000013742531 221287228 /nfs/dbraw/zinc/28/72/28/221287228.db2.gz DVZHRZUVKNZRGD-QGZVFWFLSA-N 0 0 392.499 3.910 1 0 GHAFRN COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cccc(C)c32)cc1 ZINC000013742505 221287299 /nfs/dbraw/zinc/28/72/99/221287299.db2.gz HBUYSSLHHINVDP-UHFFFAOYSA-N 0 0 392.499 3.830 1 0 GHAFRN C[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccccc2)[C@H]1C(=O)N1CCOC1=O ZINC000013814273 221290833 /nfs/dbraw/zinc/29/08/33/221290833.db2.gz OCOVUQXMZLDEFH-FZKQIMNGSA-N 0 0 383.835 3.548 3 0 aggregator GHAFRN COc1ccc(-c2c(-c3cccc(C(=O)N(C)C)c3)oc3ncnc(N)c32)cc1 ZINC000014945098 221319337 /nfs/dbraw/zinc/31/93/37/221319337.db2.gz HUVKBLUWZYBWJL-UHFFFAOYSA-N 0 0 388.427 3.849 1 0 GHAFRN O=C(NCCN1CCc2c1cccc2F)Nc1ccccc1Br ZINC000014973969 221324127 /nfs/dbraw/zinc/32/41/27/221324127.db2.gz DCWPLTKJSJEDKZ-UHFFFAOYSA-N 0 0 378.245 3.772 1 0 GHAFRN Cc1cccc(C)c1N1CCN(Cc2ccc(Cl)cc2Cl)C(=O)C1=O ZINC000095565677 136182111 /nfs/dbraw/zinc/18/21/11/136182111.db2.gz BVUSZMCCLSDIME-UHFFFAOYSA-N 0 0 377.271 3.986 1 0 GHAFRN COC(=O)C[C@@H](c1cccnc1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000034986394 221811993 /nfs/dbraw/zinc/81/19/93/221811993.db2.gz UJJRMYXCHDOHNM-PZJWPPBQSA-N 0 0 383.492 3.553 1 0 GHAFRN CC(C)(C)c1cc(NC(=O)N2CCCN(c3ncccc3Cl)CC2)no1 ZINC000059276912 222056736 /nfs/dbraw/zinc/05/67/36/222056736.db2.gz MIMRUIRWTSIEGK-UHFFFAOYSA-N 0 0 377.876 3.765 1 0 GHAFRN O=c1[nH]c(=O)n(Cc2ccc(Cl)cc2Cl)cc1NCc1ccccc1 ZINC000064549885 222073660 /nfs/dbraw/zinc/07/36/60/222073660.db2.gz MCIRGCSQLYHOMS-UHFFFAOYSA-N 0 0 376.243 3.504 1 0 GHAFRN COc1cc2nnc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC ZINC000066097446 222137116 /nfs/dbraw/zinc/13/71/16/222137116.db2.gz SAIABKPUJGAQBR-UHFFFAOYSA-N 0 0 393.230 3.796 1 0 GHAFRN COC(=O)c1ccc(CN2c3ccccc3[C@@]3(OCCC=C[C@@H]3C)C2=O)cc1 ZINC000066166036 222138736 /nfs/dbraw/zinc/13/87/36/222138736.db2.gz UTZIKVBMSWNQPY-QMHKHESXSA-N 0 0 377.440 3.828 1 0 GHAFRN CCNc1nc2sc(-c3cccc([C@@H](C)NC(C)=O)c3)nc2c2c1ncn2C ZINC000066259229 222139557 /nfs/dbraw/zinc/13/95/57/222139557.db2.gz UOVILLRJCVEGLB-LLVKDONJSA-N 0 0 394.504 3.874 1 0 GHAFRN COc1cc(/C=C/[N+](=O)[O-])c(/C=C/c2ccc3c(c2)OCO3)c(OC)c1OC ZINC000072123099 222209513 /nfs/dbraw/zinc/20/95/13/222209513.db2.gz ULSHPMIXUJAAAO-ICNYKPIKSA-N 0 0 385.372 3.859 1 0 GHAFRN CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 ZINC000084687155 222319588 /nfs/dbraw/zinc/31/95/88/222319588.db2.gz KKANPYOQEOCPDF-UHFFFAOYSA-N 0 0 393.468 3.565 1 0 GHAFRN CCS(=O)(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000084687225 222319760 /nfs/dbraw/zinc/31/97/60/222319760.db2.gz JFSHVUWHWHQLCX-HGDYXINXSA-N 0 0 381.582 3.906 1 0 GHAFRN CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(C)c1 ZINC000095567030 222355999 /nfs/dbraw/zinc/35/59/99/222355999.db2.gz DEWYFEOOWPZHQX-FQEVSTJZSA-N 0 0 385.485 3.539 3 0 GHAFRN CCN(C1CCCC1)S(=O)(=O)c1cc(-c2c(C)noc2C)ccc1OC ZINC000095576863 222356416 /nfs/dbraw/zinc/35/64/16/222356416.db2.gz HONVADOKRZTBCS-UHFFFAOYSA-N 0 0 378.494 3.920 1 0 GHAFRN COc1ccc(CN2C(=O)CSC[C@]2(C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000095599396 222357694 /nfs/dbraw/zinc/35/76/94/222357694.db2.gz WNIWRKMCCRHLDF-JOCHJYFZSA-N 0 0 398.528 3.785 3 0 GHAFRN Cn1nc(CC(=O)Nc2ccc3[nH]c4ccccc4c3c2)c2ccccc2c1=O ZINC000095596049 222358454 /nfs/dbraw/zinc/35/84/54/222358454.db2.gz USWYPQNHQBOILE-UHFFFAOYSA-N 0 0 382.423 3.749 1 0 GHAFRN CN1C(=N)N[C@]2(CC(C)(C)Oc3ccc(-c4cc(F)cc(Cl)c4)cc32)C1=O ZINC000095603280 222359071 /nfs/dbraw/zinc/35/90/71/222359071.db2.gz YBGCQCRROHLRHP-FQEVSTJZSA-N 0 0 387.842 3.689 1 0 GHAFRN O=C(c1[nH]c2nc[nH]c(=O)c2c1-c1cccc(Br)c1)c1ccccc1 ZINC000096921514 222431056 /nfs/dbraw/zinc/43/10/56/222431056.db2.gz XPFYBNOYLAVEAP-UHFFFAOYSA-N 0 0 394.228 3.912 1 0 GHAFRN COc1ccc(-c2nnc3n2c2ccccc2c(=O)n3-c2ccccc2)cc1OC ZINC000103223777 222492162 /nfs/dbraw/zinc/49/21/62/222492162.db2.gz BHVADGNAGMOESE-UHFFFAOYSA-N 0 0 398.422 3.718 1 0 GHAFRN COc1ccc(C(=O)c2oc3ccc4c(c3c2CCNC(C)=O)CCCO4)cc1 ZINC000103233482 222493391 /nfs/dbraw/zinc/49/33/91/222493391.db2.gz BBKFPYOJQNUXAX-UHFFFAOYSA-N 0 0 393.439 3.676 1 0 GHAFRN CC1=C2[C@@H](C[C@@H]1OC(=O)c1ccc(C)cc1)[C@](C)(O)CC[C@H]1[C@H](C)C(=O)O[C@H]21 ZINC000169349969 222535874 /nfs/dbraw/zinc/53/58/74/222535874.db2.gz GHNFTOHGWRJYSU-JOTZKKCFSA-N 0 0 384.472 3.579 1 0 GHAFRN CCC(C)(C)C(=O)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OCCCc1ccccc1 ZINC000013554285 581097976 /nfs/dbraw/zinc/09/79/76/581097976.db2.gz IQEOVMKUVVEMRJ-OTWHNJEPSA-N 0 0 385.504 3.547 1 0 GHAFRN N=c1sc2cc(OC(F)(F)F)ccc2n1CC[S@@](=O)c1ccccc1 ZINC000026727730 212157763 /nfs/dbraw/zinc/15/77/63/212157763.db2.gz BYBODLUOZBQJRQ-VWLOTQADSA-N 0 0 386.420 3.889 1 0 GHAFRN COC[C@@H]1CCN(C(=O)c2cc(COc3ccc(OC)c4ccccc34)on2)C1 ZINC000011946543 212077179 /nfs/dbraw/zinc/07/71/79/212077179.db2.gz KYXVZJYCLLDOEF-OAHLLOKOSA-N 0 0 396.443 3.524 3 0 GHAFRN Cc1c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2oc1C(=O)NC(C)C ZINC000002459817 220535387 /nfs/dbraw/zinc/53/53/87/220535387.db2.gz MXPKNKSFGBSDBF-KBPBESRZSA-N 0 0 392.521 3.546 1 0 GHAFRN NC(=O)c1cn(-c2ccc(Cl)cc2)c2cc(-c3ccncc3)ccc2c1=O ZINC000005933471 220909266 /nfs/dbraw/zinc/90/92/66/220909266.db2.gz CETBUBRBJZBWOG-UHFFFAOYSA-N 0 0 375.815 3.805 1 0 GHAFRN CCn1nc(C)cc1-c1nnc2sc(Cc3c(F)cccc3Cl)nn21 ZINC000006226025 220924801 /nfs/dbraw/zinc/92/48/01/220924801.db2.gz YJJVGKOQTIUMIE-UHFFFAOYSA-N 0 0 376.848 3.761 1 0 GHAFRN Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1ccccc1 ZINC000012504093 221200380 /nfs/dbraw/zinc/20/03/80/221200380.db2.gz WUGJIPFLBOATGL-UHFFFAOYSA-N 0 0 377.350 3.657 1 0 in-vivo GHAFRN CCCC[S@](=O)CC(C[S@](=O)CCCC)OC(=O)c1ccc(C)cc1 ZINC000013154126 221263002 /nfs/dbraw/zinc/26/30/02/221263002.db2.gz DNXQKCAJAHKMCV-VVHAJIGGSA-N 0 0 386.579 3.618 1 0 GHAFRN C[NH+](C)CCCc1c(/C=C2\C(=O)Nc3ccc(C(=O)[O-])cc32)[nH]c2c1CCCC2 ZINC000013588471 221275626 /nfs/dbraw/zinc/27/56/26/221275626.db2.gz JOVNYTZPQVCUIB-AQTBWJFISA-N 0 0 393.487 3.579 1 0 GHAFRN Cc1cc(=O)c(-c2ccc(F)cc2F)c(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000013581189 221275986 /nfs/dbraw/zinc/27/59/86/221275986.db2.gz GPURLOFCRUSYCW-UHFFFAOYSA-N 0 0 376.380 3.964 1 0 GHAFRN CC(C)CCn1c2cn(Cc3cccc4ccccc43)cc2c(=O)n(C)c1=O ZINC000013603302 221277148 /nfs/dbraw/zinc/27/71/48/221277148.db2.gz BWJOZCRVWYHVOO-UHFFFAOYSA-N 0 0 375.472 3.749 1 0 GHAFRN CC(C)Cn1c2cn(Cc3cccc(Cl)c3Cl)cc2c(=O)n(C)c1=O ZINC000013603259 221277211 /nfs/dbraw/zinc/27/72/11/221277211.db2.gz OMFQWWGCVUVUJC-UHFFFAOYSA-N 0 0 380.275 3.513 1 0 GHAFRN NC(=O)Cc1c2cc(O)c(Cl)cc2n(Cc2ccccc2)c1Br ZINC000013445744 221268749 /nfs/dbraw/zinc/26/87/49/221268749.db2.gz SGHPJCVRBHXXBA-UHFFFAOYSA-N 0 0 393.668 3.839 1 0 GHAFRN Cn1cc(C2=C(c3cn(C)c4cc(Cl)ccc34)C(=O)NC2=O)c2ccccc21 ZINC000013447774 221268882 /nfs/dbraw/zinc/26/88/82/221268882.db2.gz OYGJJFNXPCGVTE-UHFFFAOYSA-N 0 0 389.842 3.891 1 0 GHAFRN Cc1ccc(-c2nc3c(ncn3C)c(N(C(N)=O)c3c(F)cccc3F)n2)cc1 ZINC000013488583 221270570 /nfs/dbraw/zinc/27/05/70/221270570.db2.gz AAXLOGNAMKQXND-UHFFFAOYSA-N 0 0 394.385 3.834 1 0 GHAFRN Cc1cc(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1 ZINC000013762148 221288032 /nfs/dbraw/zinc/28/80/32/221288032.db2.gz QFKFDESGBPKPPL-UHFFFAOYSA-N 0 0 399.369 3.653 1 0 GHAFRN c1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccsc3n2c1 ZINC000013755936 221286478 /nfs/dbraw/zinc/28/64/78/221286478.db2.gz IURWVMMKDXJLTR-UHFFFAOYSA-N 0 0 392.484 3.600 1 0 GHAFRN Cc1cccnc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1 ZINC000013812841 221290848 /nfs/dbraw/zinc/29/08/48/221290848.db2.gz FXAPKJSBNXUUIT-UHFFFAOYSA-N 0 0 381.379 3.665 1 0 GHAFRN Cc1ccncc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1 ZINC000013812821 221290885 /nfs/dbraw/zinc/29/08/85/221290885.db2.gz LYFOJIJVBYCQCL-UHFFFAOYSA-N 0 0 381.379 3.665 1 0 GHAFRN CC(=O)Nc1ccnn1C1CCN(Cc2nc(-c3cccs3)oc2C)CC1 ZINC000015064643 221327920 /nfs/dbraw/zinc/32/79/20/221327920.db2.gz KGJLXOMBKQRZLW-UHFFFAOYSA-N 0 0 385.493 3.704 1 0 GHAFRN Cc1ccnc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000095567971 136182134 /nfs/dbraw/zinc/18/21/34/136182134.db2.gz CDHYMMSTDFXWEP-UHFFFAOYSA-N 0 0 380.439 3.928 1 0 GHAFRN Cc1cc(-c2cc3ccccc3s2)nnc1N1CCN(c2ncccn2)CC1 ZINC000095572030 136182171 /nfs/dbraw/zinc/18/21/71/136182171.db2.gz VNBJULLRMHBINN-UHFFFAOYSA-N 0 0 388.500 3.783 1 0 GHAFRN CC(C)(C)c1cc(N2CCC(=O)NC2=O)cc(C(=O)NCc2ccccc2)c1O ZINC000096926928 136187885 /nfs/dbraw/zinc/18/78/85/136187885.db2.gz UNOUURIIORIIFR-UHFFFAOYSA-N 0 0 395.459 3.906 1 0 GHAFRN CCOCCC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1ccc2ccccc2c1 ZINC000061908372 222063466 /nfs/dbraw/zinc/06/34/66/222063466.db2.gz BMJHTFBDSDCMOQ-UHFFFAOYSA-N 0 0 389.455 3.848 3 0 GHAFRN O=c1c2ccc(F)cc2nc2n1-c1ccccc1C(=O)N[C@H]2Cc1ccccc1 ZINC000061949329 222064091 /nfs/dbraw/zinc/06/40/91/222064091.db2.gz SDWNXLQCKGQCLW-IBGZPJMESA-N 0 0 385.398 3.552 3 0 GHAFRN O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+][C@@H]1CCC[C@H]1C1CCCCC1)ccc2[O-] ZINC000062224927 222065526 /nfs/dbraw/zinc/06/55/26/222065526.db2.gz HYNOMSZTPOUFRQ-LXZKKBNFSA-N 0 0 376.522 3.667 1 0 GHAFRN CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ncoc43)n2)c1 ZINC000064513395 222071990 /nfs/dbraw/zinc/07/19/90/222071990.db2.gz KZCPXMFKBLMRRN-UHFFFAOYSA-N 0 0 381.417 3.509 1 0 GHAFRN C[C@](O)(c1ccc(S(=O)(=O)c2ccc(N)cc2Cl)cc1)C(F)(F)F ZINC000064573721 222074979 /nfs/dbraw/zinc/07/49/79/222074979.db2.gz OJWIROYHNKUKES-AWEZNQCLSA-N 0 0 379.787 3.525 1 0 GHAFRN O=C([O-])c1cc(C[NH+]2CCC(c3cccc(F)c3)CC2)c2ccccn2c1=O ZINC000066078988 222136754 /nfs/dbraw/zinc/13/67/54/222136754.db2.gz GXVMSXSWXZFFEL-UHFFFAOYSA-N 0 0 380.419 3.516 1 0 GHAFRN CCC(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072102397 222205653 /nfs/dbraw/zinc/20/56/53/222205653.db2.gz YJEHPTKSEHMAKX-IBGZPJMESA-N 0 0 392.425 3.575 1 0 GHAFRN CS(=O)(=O)c1ccc(-n2c(=O)c3ccc(F)cc3nc2-c2ccccc2)cc1 ZINC000072107705 222206007 /nfs/dbraw/zinc/20/60/07/222206007.db2.gz NWHBVPNSNUIABG-UHFFFAOYSA-N 0 0 394.427 3.595 1 0 GHAFRN O=C1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N1CCc1ccc(F)cc1 ZINC000073240013 222268449 /nfs/dbraw/zinc/26/84/49/222268449.db2.gz SHRWRBQVHPMBNN-UHFFFAOYSA-N 0 0 383.810 3.568 1 0 GHAFRN CCOC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc1 ZINC000095555417 222354648 /nfs/dbraw/zinc/35/46/48/222354648.db2.gz TVNKSXOQSJHOQO-UHFFFAOYSA-N 0 0 397.862 3.545 1 0 GHAFRN Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC3)ccc1=O ZINC000095552723 222355028 /nfs/dbraw/zinc/35/50/28/222355028.db2.gz KVJGAHKNJAOOOG-UHFFFAOYSA-N 0 0 387.418 3.636 1 0 GHAFRN CCOC(=O)C[C@@]1(CC)Oc2ccccc2N1S(=O)(=O)c1ccc(C)cc1 ZINC000095571562 222356261 /nfs/dbraw/zinc/35/62/61/222356261.db2.gz MGXJQCQHCJDOFM-HXUWFJFHSA-N 0 0 389.473 3.642 3 0 GHAFRN Cc1c(C2=NC(=S)N[C@@H](c3ccc(C)cc3)C2)nnn1Cc1ccccc1 ZINC000095573512 222356427 /nfs/dbraw/zinc/35/64/27/222356427.db2.gz ZZLZCHFCNFYYIJ-GOSISDBHSA-N 0 0 375.501 3.503 1 0 GHAFRN COc1ccc(-c2cccc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000096930124 222431169 /nfs/dbraw/zinc/43/11/69/222431169.db2.gz RALIQQAIJTUPGT-UHFFFAOYSA-N 0 0 397.427 3.548 1 0 GHAFRN CCCNC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N(C)[C@H]2CO ZINC000095877863 535086146 /nfs/dbraw/zinc/08/61/46/535086146.db2.gz AOAUAUAMGGUWLN-NYVOZVTQSA-N 0 0 379.504 3.647 1 0 GHAFRN CC(=O)O[C@@H](/C=C/c1ccccc1)C[C@H](C/C=C/[C@H]1CC=CC(=O)O1)OC(C)=O ZINC000084154374 291130614 /nfs/dbraw/zinc/13/06/14/291130614.db2.gz PQFQACSEOSBOSI-IMANAEQHSA-N 0 0 398.455 3.771 1 0 biogenic,in-vitro GHAFRN Cc1ccccc1O[C@H](C)C(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000001863325 212259220 /nfs/dbraw/zinc/25/92/20/212259220.db2.gz HGPVDLJIOFSPSP-YJYMSZOUSA-N 0 0 390.892 3.721 1 0 GHAFRN COCCOc1cc2nncc(Nc3cc(O)c(Cl)cc3F)c2cc1OC ZINC000001895417 212258360 /nfs/dbraw/zinc/25/83/60/212258360.db2.gz JDPAKZCGVWMFFH-UHFFFAOYSA-N 0 0 393.802 3.905 1 0 GHAFRN CC[C@@]1(c2ccc(OC)c(OC)c2)CCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000001859821 212258258 /nfs/dbraw/zinc/25/82/58/212258258.db2.gz XVILPSRWJHSAHH-OAQYLSRUSA-N 0 0 389.517 3.755 1 0 GHAFRN COc1ccc(Nc2nc(N)c(C(=O)c3cc4ccccc4oc3=O)s2)cc1 ZINC000001658552 212252298 /nfs/dbraw/zinc/25/22/98/212252298.db2.gz KZYYEALEHBKQQQ-UHFFFAOYSA-N 0 0 393.424 3.815 1 0 GHAFRN CC(C)=CCc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C[C@](C)(OC(C)=O)C3 ZINC000014883300 212116296 /nfs/dbraw/zinc/11/62/96/212116296.db2.gz FLYMKXSUGFPBQY-JOCHJYFZSA-N 0 0 384.428 3.916 1 0 GHAFRN CCCCNC(=O)CSc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000002969016 220590469 /nfs/dbraw/zinc/59/04/69/220590469.db2.gz UZJZTMRLPPHTOP-UHFFFAOYSA-N 0 0 391.500 3.953 1 0 GHAFRN COc1ccccc1[C@@H]1CN(CCNC(=O)C2=CCCC2)Cc2ccccc2O1 ZINC000011871683 221133483 /nfs/dbraw/zinc/13/34/83/221133483.db2.gz RLCNZIYHMSYDBC-QHCPKHFHSA-N 0 0 392.499 3.857 1 0 GHAFRN O=S(=O)([N-]c1ccc2[nH]cc(C[C@H]3CCC[NH2+]3)c2c1)c1ccc(F)cc1F ZINC000013607646 221276507 /nfs/dbraw/zinc/27/65/07/221276507.db2.gz HVHSZVFAMQRUIS-CQSZACIVSA-N 0 0 391.443 3.541 1 0 GHAFRN CN(C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1)C(=O)C(F)(F)F ZINC000013436889 221267586 /nfs/dbraw/zinc/26/75/86/221267586.db2.gz DQAMCNMFLLPWQR-CRAIPNDOSA-N 0 0 376.378 3.863 1 0 GHAFRN Cc1c(C[S@@](=O)c2nc3cscc3[nH]2)nccc1OCC(F)(F)F ZINC000013448718 221268908 /nfs/dbraw/zinc/26/89/08/221268908.db2.gz UMZLOYDUDZDEAD-DEOSSOPVSA-N 0 0 375.397 3.577 1 0 GHAFRN CC(=O)Nc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000013525191 221271095 /nfs/dbraw/zinc/27/10/95/221271095.db2.gz FYJQUIIDEBFBFY-UHFFFAOYSA-N 0 0 389.864 3.555 1 0 GHAFRN O=C(Nc1[nH]nc2nc(-c3nccs3)c(Br)cc21)C1CCCC1 ZINC000013538643 221271365 /nfs/dbraw/zinc/27/13/65/221271365.db2.gz SNFNRLLKLGNUTL-UHFFFAOYSA-N 0 0 392.282 3.973 1 0 GHAFRN CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)NCc1cccs1 ZINC000013559108 221273257 /nfs/dbraw/zinc/27/32/57/221273257.db2.gz LSAGAYCJHAMUPG-INIZCTEOSA-N 0 0 396.553 3.899 1 0 GHAFRN c1cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3sccc3n2c1 ZINC000013755970 221287015 /nfs/dbraw/zinc/28/70/15/221287015.db2.gz OUZIPSMKVVNNRW-UHFFFAOYSA-N 0 0 392.484 3.600 1 0 GHAFRN O=C(c1c[nH]c2cc(Br)ccc12)[C@@H]1CS[C@H](c2cccnc2)N1 ZINC000013737468 221287071 /nfs/dbraw/zinc/28/70/71/221287071.db2.gz KNWYCIOALCUCGR-DOTOQJQBSA-N 0 0 388.290 3.912 1 0 GHAFRN COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4Cl)C3)c2cc1OC ZINC000014956422 221319893 /nfs/dbraw/zinc/31/98/93/221319893.db2.gz IDUQTNNDVLFGOC-CYBMUJFWSA-N 0 0 385.851 3.958 1 0 GHAFRN Fc1cccc(CN2CCc3nc(Nc4ccc5c(c4)OCO5)ncc3C2)c1F ZINC000015779200 221344420 /nfs/dbraw/zinc/34/44/20/221344420.db2.gz VMYBYVGINLKINH-UHFFFAOYSA-N 0 0 396.397 3.785 1 0 GHAFRN COc1ccc(S(=O)(=O)N2c3ccccc3-c3n[nH]cc3[C@@H]2C2CC2)cc1 ZINC000045284914 132422381 /nfs/dbraw/zinc/42/23/81/132422381.db2.gz SHSQQWJYNQVTHA-FQEVSTJZSA-N 0 0 381.457 3.745 1 0 GHAFRN CS(=O)(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000095557785 136182026 /nfs/dbraw/zinc/18/20/26/136182026.db2.gz BDAZOZSTYHYPBO-FQEVSTJZSA-N 0 0 378.453 3.861 1 0 GHAFRN Cc1cc(C)n(-c2nc(Nc3ccccn3)cc(N3CCc4ccccc4C3)n2)n1 ZINC000095922008 136182443 /nfs/dbraw/zinc/18/24/43/136182443.db2.gz CRIUNMCLXYXUBY-UHFFFAOYSA-N 0 0 397.486 3.980 1 0 GHAFRN Fc1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc3n[nH]cc32)cc1 ZINC000096928455 136187776 /nfs/dbraw/zinc/18/77/76/136187776.db2.gz KDNSQBSCUAOXCF-UHFFFAOYSA-N 0 0 389.438 3.562 1 0 GHAFRN O=[S@](C[C@]1(O)CCN2CCc3c4cc(F)ccc4[nH]c3[C@H]2C1)c1ccccc1 ZINC000027903375 221662794 /nfs/dbraw/zinc/66/27/94/221662794.db2.gz GLJZVMBYWVZQOF-KZGFNGFISA-N 0 0 398.503 3.539 1 0 GHAFRN COCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2cc(C)ccc21 ZINC000035311602 221816395 /nfs/dbraw/zinc/81/63/95/221816395.db2.gz FAWDYHGLGHQKLA-UHFFFAOYSA-N 0 0 385.464 3.599 1 0 GHAFRN O=c1cc2c(ccc(=O)n2-c2c(F)cccc2F)c(-c2ccc(F)cc2F)[nH]1 ZINC000036988458 221867772 /nfs/dbraw/zinc/86/77/72/221867772.db2.gz BSKASJBDVDOKBE-UHFFFAOYSA-N 0 0 386.304 3.902 1 0 GHAFRN O=C1OC=C2Nc3cc4c(cc3[C@@H](c3cccc(OC(F)(F)F)c3)C12)OCO4 ZINC000040420400 221923118 /nfs/dbraw/zinc/92/31/18/221923118.db2.gz KOQJSIHZGXHKJK-MRXNPFEDSA-N 0 0 391.301 3.682 1 0 GHAFRN CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Sc3cccc(Cl)c3)c2c1 ZINC000040874342 221932904 /nfs/dbraw/zinc/93/29/04/221932904.db2.gz LAFRWDGNIQZEFF-UHFFFAOYSA-N 0 0 392.889 3.542 1 0 GHAFRN O=C(NC[C@]1(O)CCCC(F)(F)C1)c1cc(-c2ncc(F)cn2)ccc1Cl ZINC000049784305 222001915 /nfs/dbraw/zinc/00/19/15/222001915.db2.gz ZNZFAEUFDSBTTN-KRWDZBQOSA-N 0 0 399.800 3.606 1 0 GHAFRN O=C(Nc1ccc(CS(=O)(=O)c2ccccc2Cl)cc1)c1ccccn1 ZINC000058592774 222054836 /nfs/dbraw/zinc/05/48/36/222054836.db2.gz WAWJOPVEBNGYSF-UHFFFAOYSA-N 0 0 386.860 3.961 1 0 GHAFRN O=C(Nc1ccccc1Cl)c1cc([C@@H]2CCCN(C(=O)OCCF)C2)on1 ZINC000061905719 222062501 /nfs/dbraw/zinc/06/25/01/222062501.db2.gz WVCITXUZZTWLES-GFCCVEGCSA-N 0 0 395.818 3.866 3 0 GHAFRN CS(=O)(=O)c1ccc(-c2cnc3c(NC=O)cc(-c4ccsc4)cn23)cc1 ZINC000061897035 222062577 /nfs/dbraw/zinc/06/25/77/222062577.db2.gz AZRHQNDKEAJIRQ-UHFFFAOYSA-N 0 0 397.481 3.702 3 0 GHAFRN COc1ccc(NC(=O)[C@@H]2Cc3c(nccc3-c3ccccc3)O2)cc1OC ZINC000061908910 222062918 /nfs/dbraw/zinc/06/29/18/222062918.db2.gz FJQURZSASOIWBN-FQEVSTJZSA-N 0 0 376.412 3.708 3 0 GHAFRN COc1ccc(NC(=O)[C@@H]2Cc3c(nccc3-c3cccc(F)c3)O2)cc1OC ZINC000061927134 222063766 /nfs/dbraw/zinc/06/37/66/222063766.db2.gz CMGSWMSJOXDASA-FQEVSTJZSA-N 0 0 394.402 3.847 3 0 GHAFRN CCNC(=S)Nc1ccc2c(c1)c(=O)n(C)n2-c1ccc(C(C)(C)C)cc1 ZINC000061928712 222063900 /nfs/dbraw/zinc/06/39/00/222063900.db2.gz XRYHNAZLVSPDBT-UHFFFAOYSA-N 0 0 382.533 3.933 3 0 GHAFRN COc1ccc([C@@H]2CC(C(C)(C)C)=NN2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000061948679 222064522 /nfs/dbraw/zinc/06/45/22/222064522.db2.gz QFQLQRFMQOMQNP-SFHVURJKSA-N 0 0 387.505 3.696 3 0 GHAFRN C[C@@](O)(c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1ccc(F)c(F)c1 ZINC000061929816 222064608 /nfs/dbraw/zinc/06/46/08/222064608.db2.gz UIISLLUPGABHKX-SFHVURJKSA-N 0 0 395.452 3.748 3 0 GHAFRN COC(=O)c1cnn(-c2ccc(C(C)C)cc2)c(=O)c1Oc1ccc(OC)cc1 ZINC000066166452 222139619 /nfs/dbraw/zinc/13/96/19/222139619.db2.gz OJNYYBUWIWRUKR-UHFFFAOYSA-N 0 0 394.427 3.943 1 0 GHAFRN O=S(=O)(CC1=NCCS1)c1c(-c2ccccc2)noc1-c1ccccc1 ZINC000072118916 222207353 /nfs/dbraw/zinc/20/73/53/222207353.db2.gz XEOYWGDGSISQJA-UHFFFAOYSA-N 0 0 384.482 3.928 1 0 GHAFRN CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000084653081 222319672 /nfs/dbraw/zinc/31/96/72/222319672.db2.gz CLMANZSTIUYRDF-SFHVURJKSA-N 0 0 385.851 3.610 1 0 GHAFRN CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(Br)c1 ZINC000084669472 222319777 /nfs/dbraw/zinc/31/97/77/222319777.db2.gz AXEJMSSKINGCRJ-KRWDZBQOSA-N 0 0 388.261 3.579 1 0 GHAFRN COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3c(c2)OCO3)cc1)n1cncn1 ZINC000095562432 222354661 /nfs/dbraw/zinc/35/46/61/222354661.db2.gz PZQXYXCVPHEJQB-LJQANCHMSA-N 0 0 394.431 3.539 1 0 GHAFRN C[C@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1Cl)S(C)(=O)=O ZINC000095560598 222354820 /nfs/dbraw/zinc/35/48/20/222354820.db2.gz ZPCRJPDDEZIKRU-LLVKDONJSA-N 0 0 387.288 3.787 1 0 GHAFRN Cc1cc(C)nc(NC(=S)N2CCN(c3nsc4ccccc43)CC2)c1 ZINC000095566705 222356637 /nfs/dbraw/zinc/35/66/37/222356637.db2.gz QEYAMGLLFJZRGF-UHFFFAOYSA-N 0 0 383.546 3.827 1 0 GHAFRN COC(=O)/C=C/c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000103230056 222493215 /nfs/dbraw/zinc/49/32/15/222493215.db2.gz KZODXONAYBWZIS-WEVVVXLNSA-N 0 0 389.329 3.621 1 0 GHAFRN O=C(Nc1nn(C(=O)c2ccc(Cl)cc2)c(=O)s1)c1ccc(Cl)cc1 ZINC000001658224 212253047 /nfs/dbraw/zinc/25/30/47/212253047.db2.gz GCLYTGCLKWDKCR-UHFFFAOYSA-N 0 0 394.239 3.552 1 0 GHAFRN CC/C=C(\C)C[C@@H](C)C(=O)[C@H](C)[C@@]1(O)O[C@H]([C@H](C)C(=O)CC)[C@H](C)[C@H](O)[C@@H]1C ZINC000033955706 212159777 /nfs/dbraw/zinc/15/97/77/212159777.db2.gz BFQWBQIYMSVPOL-JBVLJMNYSA-N 0 0 396.568 3.910 1 0 GHAFRN C/C1=C\CC/C(C(=O)[O-])=C/CC/C(C)=C/[C@@H]2OC(=O)[C@@H](C[NH+](C)C)[C@@H]2CC1 ZINC000034073425 212116614 /nfs/dbraw/zinc/11/66/14/212116614.db2.gz HRPBIJBOFQXOTL-JEJSWHNFSA-N 0 0 375.509 3.964 1 0 in-vitro GHAFRN COc1ccc(-c2nnc(C3CCN(C(=O)c4ccccc4F)CC3)o2)cc1 ZINC000006737482 220956133 /nfs/dbraw/zinc/95/61/33/220956133.db2.gz LWFMCZBJBMMAHD-UHFFFAOYSA-N 0 0 381.407 3.904 1 0 GHAFRN COc1cc(CN2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)c(Cl)cc1O ZINC000011821602 221129759 /nfs/dbraw/zinc/12/97/59/221129759.db2.gz RRJFZHJVYOPELD-HNNXBMFYSA-N 0 0 390.867 3.859 1 0 GHAFRN [O-][n+]1ccc(CN2CCC(=C3c4ccccc4CCc4cccnc43)CC2)cc1 ZINC000011495135 221115996 /nfs/dbraw/zinc/11/59/96/221115996.db2.gz YSZYBNMWFQQCAK-UHFFFAOYSA-N 0 0 383.495 3.912 1 0 GHAFRN O=S(=O)(c1ccc(F)cc1)C1CCN(CCc2ccc(F)cc2F)CC1 ZINC000013472089 221268916 /nfs/dbraw/zinc/26/89/16/221268916.db2.gz RFHWREWMZPGWCN-UHFFFAOYSA-N 0 0 383.435 3.585 1 0 GHAFRN Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccc(Cl)cc3)nn21 ZINC000013493987 221270144 /nfs/dbraw/zinc/27/01/44/221270144.db2.gz IRPSOMIAYKIXLG-UHFFFAOYSA-N 0 0 389.850 3.619 1 0 GHAFRN O=C1N2[C@@H](Cc3ccccc3)[C@H]2[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000013782669 221289398 /nfs/dbraw/zinc/28/93/98/221289398.db2.gz CZJFCXLGTZJTQR-SBERVWBBSA-N 0 0 398.506 3.890 1 0 GHAFRN COc1cc2cc(N)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000013796687 221289466 /nfs/dbraw/zinc/28/94/66/221289466.db2.gz YFYSVBXOCRLWBC-UHFFFAOYSA-N 0 0 399.443 3.624 1 0 GHAFRN Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)nc1 ZINC000013812838 221290487 /nfs/dbraw/zinc/29/04/87/221290487.db2.gz ALPCDVIZEZUXNV-UHFFFAOYSA-N 0 0 381.379 3.665 1 0 GHAFRN CN(C)c1ccccc1C[S@@](=O)c1nc2c(n1-c1ccccn1)CCCC2 ZINC000013746061 221286951 /nfs/dbraw/zinc/28/69/51/221286951.db2.gz QNKBKPSAPPUDQK-MHZLTWQESA-N 0 0 380.517 3.520 1 0 GHAFRN CCOc1ccccc1-c1nnc2n1N=C(c1cc(OC)ccc1OC)CS2 ZINC000013828733 221291006 /nfs/dbraw/zinc/29/10/06/221291006.db2.gz DEWBBIVZWOMPAR-UHFFFAOYSA-N 0 0 396.472 3.719 1 0 GHAFRN c1cc(-c2ccc3c(c2)[nH]nc3-c2cc3cc(CN4CCOCC4)ccc3[nH]2)n[nH]1 ZINC000014949247 221319377 /nfs/dbraw/zinc/31/93/77/221319377.db2.gz YGHPDKYRIZDBRZ-UHFFFAOYSA-N 0 0 398.470 3.934 1 0 GHAFRN O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(Cl)cn2)C1 ZINC000014973999 221323775 /nfs/dbraw/zinc/32/37/75/221323775.db2.gz SSYGSDUHVKYRFR-GFCCVEGCSA-N 0 0 395.688 3.898 1 0 GHAFRN Cc1ccc2c(c1)CN(CCNC(=O)CCc1c[nH]c3ccccc13)C[C@@H](C)O2 ZINC000014999070 221326622 /nfs/dbraw/zinc/32/66/22/221326622.db2.gz VQUNGJBCZKICGX-GOSISDBHSA-N 0 0 391.515 3.808 1 0 GHAFRN Cc1cccc(C(=O)N2CCN(c3ccc(F)cc3Cl)C(=O)C2)c1Cl ZINC000043204688 132415663 /nfs/dbraw/zinc/41/56/63/132415663.db2.gz OZPKSAYMXUKRNB-UHFFFAOYSA-N 0 0 381.234 3.930 1 0 GHAFRN Cc1cc(F)ccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O ZINC000059281776 136155737 /nfs/dbraw/zinc/15/57/37/136155737.db2.gz XQTPGAYBQGXMQL-UHFFFAOYSA-N 0 0 381.234 3.930 1 0 GHAFRN COc1c(C(=O)Nc2ccccc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C ZINC000096926927 136187780 /nfs/dbraw/zinc/18/77/80/136187780.db2.gz KNCGLLNGFMIVRC-UHFFFAOYSA-N 0 0 395.459 3.691 1 0 GHAFRN CCCOc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OCCC)c1 ZINC000026502537 221642862 /nfs/dbraw/zinc/64/28/62/221642862.db2.gz NUFPXLHULBEFSA-UHFFFAOYSA-N 0 0 396.495 3.687 1 0 GHAFRN CN1c2ccc(Cl)cc2C(=O)N[C@@H](Cc2ccc(-c3ccoc3)cc2)C1=O ZINC000040822867 221931545 /nfs/dbraw/zinc/93/15/45/221931545.db2.gz MONRZFOGEGMWDI-SFHVURJKSA-N 0 0 380.831 3.918 1 0 GHAFRN CC(=O)c1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12 ZINC000049035033 221995112 /nfs/dbraw/zinc/99/51/12/221995112.db2.gz YAKJWQLLLKGLEJ-UHFFFAOYSA-N 0 0 378.247 3.843 1 0 GHAFRN CCN1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)CC1 ZINC000059722088 222057384 /nfs/dbraw/zinc/05/73/84/222057384.db2.gz VTGLAYMHJDZOFO-UHFFFAOYSA-N 0 0 376.456 3.546 3 0 GHAFRN Cc1cccnc1C1=NO[C@@H](Cc2ccccc2)C(=O)N1Cc1ccccc1F ZINC000061908246 222062707 /nfs/dbraw/zinc/06/27/07/222062707.db2.gz IRSQIDNQGDUTAQ-FQEVSTJZSA-N 0 0 389.430 3.861 3 0 GHAFRN C[C@@](O)(c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)c1cccc(F)c1 ZINC000061896028 222062809 /nfs/dbraw/zinc/06/28/09/222062809.db2.gz ZLAVWILMFCKTBE-SFHVURJKSA-N 0 0 377.462 3.609 3 0 GHAFRN O=C(Nc1ccc(F)c(F)c1)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000062178762 222065172 /nfs/dbraw/zinc/06/51/72/222065172.db2.gz IDDDLYUCFTZIJO-QXUMQBBKSA-N 0 0 394.377 3.529 1 0 GHAFRN COC(C)(C)C[C@H]1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O ZINC000062224249 222066081 /nfs/dbraw/zinc/06/60/81/222066081.db2.gz GHGFTZSRECGLSO-GUYCJALGSA-N 0 0 397.928 3.757 1 0 GHAFRN C=COC[C@@H]1CN2[C@@H](CC[C@@H](C)[C@H]2c2ccc(Br)cc2)C(=O)O1 ZINC000064581863 222075541 /nfs/dbraw/zinc/07/55/41/222075541.db2.gz SPKPHTNWIHVLNS-ZCPGHIKRSA-N 0 0 380.282 3.676 1 0 GHAFRN COC(=O)c1ccc(CN2c3ccccc3[C@]3(OCCC=C[C@H]3C)C2=O)cc1 ZINC000066166038 222139085 /nfs/dbraw/zinc/13/90/85/222139085.db2.gz UTZIKVBMSWNQPY-MWTRTKDXSA-N 0 0 377.440 3.828 1 0 GHAFRN O=C(OCC(F)(F)F)[C@@H]1C[C@@H]2[C@H](CC[C@@H]3c4ccc(O)cc4CC[C@@H]23)[C@H]1O ZINC000066260074 222139721 /nfs/dbraw/zinc/13/97/21/222139721.db2.gz PDIQXPLKPYEEMC-GVLSGGHMSA-N 0 0 384.394 3.551 1 0 GHAFRN COc1ccc([C@H]2[C@H](c3cc(OC)c(OC)c(OC)c3)C(C)=NN2C(C)=O)cc1 ZINC000072108646 222205914 /nfs/dbraw/zinc/20/59/14/222205914.db2.gz XUMOUTUPAAGVEH-SFTDATJTSA-N 0 0 398.459 3.784 1 0 GHAFRN Cc1c2c(nn1-c1ccc(OCC(F)(F)F)cc1)c(N1CCCC1)nnc2C ZINC000072110908 222207585 /nfs/dbraw/zinc/20/75/85/222207585.db2.gz XCLYWDHZGKKXTL-UHFFFAOYSA-N 0 0 391.397 3.974 1 0 GHAFRN CCCC[C@](O)(CN(C1CC1)S(=O)(=O)c1ccc(O)cc1)c1ccccc1 ZINC000072122786 222208906 /nfs/dbraw/zinc/20/89/06/222208906.db2.gz LTHLLNWDSVMNLD-NRFANRHFSA-N 0 0 389.517 3.623 1 0 GHAFRN NS(=O)(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000084615913 222318678 /nfs/dbraw/zinc/31/86/78/222318678.db2.gz VNQAXWUSXCXFFL-UHFFFAOYSA-N 0 0 393.774 3.650 1 0 GHAFRN CCC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)OC)c1ccccc1Cl)C2 ZINC000084653514 222319894 /nfs/dbraw/zinc/31/98/94/222319894.db2.gz YQROLFZDCFSWLU-SFHVURJKSA-N 0 0 393.892 3.989 1 0 GHAFRN Cc1cccc(C)c1NC(=O)[C@@H](c1ccnc2ccccc21)N1CCN(C)CC1 ZINC000095570577 222356123 /nfs/dbraw/zinc/35/61/23/222356123.db2.gz DPUUOFPEJZXVTM-HSZRJFAPSA-N 0 0 388.515 3.779 3 0 GHAFRN O=C(n1nnc2ccccc21)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000095575544 222356475 /nfs/dbraw/zinc/35/64/75/222356475.db2.gz NQRBCJVLTLKGSN-UHFFFAOYSA-N 0 0 397.482 3.884 1 0 GHAFRN Cc1c(OCC(F)(F)F)ccnc1C[S@](=O)c1nc2ccccc2n1C ZINC000095564373 222356903 /nfs/dbraw/zinc/35/69/03/222356903.db2.gz OSFITLUTZVXDRB-AREMUKBSSA-N 0 0 383.395 3.526 1 0 GHAFRN Cn1nc(CC(=O)Nc2ccc3oc4c(c3c2)CCCC4)c2ccccc2c1=O ZINC000095593620 222358313 /nfs/dbraw/zinc/35/83/13/222358313.db2.gz GMQDVIPGHXODOQ-UHFFFAOYSA-N 0 0 387.439 3.740 1 0 in-vitro GHAFRN CC[C@@H](c1nnnn1C1CCCC1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000095604282 222359666 /nfs/dbraw/zinc/35/96/66/222359666.db2.gz SBPVFWOOODLEPL-SFHVURJKSA-N 0 0 395.511 3.632 3 0 GHAFRN CCNc1nc2c(c(=O)n1CC(F)(F)F)C(C)(C)Cc1ccc(OC)cc1-2 ZINC000095603202 222359843 /nfs/dbraw/zinc/35/98/43/222359843.db2.gz ZGCWVEJMIJPBHJ-UHFFFAOYSA-N 0 0 381.398 3.747 1 0 GHAFRN COc1ccc(C(=O)Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)cc1OC ZINC000103235409 222493411 /nfs/dbraw/zinc/49/34/11/222493411.db2.gz UOVILTPJGUTJND-UHFFFAOYSA-N 0 0 387.823 3.804 1 0 GHAFRN CCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 ZINC000013429537 571701418 /nfs/dbraw/zinc/70/14/18/571701418.db2.gz YVCSPVUIXKMOLW-SMDDNHRTSA-N 0 0 388.460 3.754 1 0 endogenous,in-man GHAFRN O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCc2ccccc2C1 ZINC000028568815 581101362 /nfs/dbraw/zinc/10/13/62/581101362.db2.gz UGWDTCXOFKDISL-UHFFFAOYSA-N 0 0 395.462 3.712 1 0 GHAFRN