smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1O ZINC000000798813 557084026 /nfs/dbraw/zinc/08/40/26/557084026.db2.gz WZVRUNHOAOIXLE-WYMPLXKRSA-N 0 1 417.421 5.485 40 30 HKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2C)c1O ZINC000000802266 559280317 /nfs/dbraw/zinc/28/03/17/559280317.db2.gz DYYYDGDQVOVEJC-WYMPLXKRSA-N 0 1 417.421 5.485 40 30 HKEBMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc(Cl)cc(Cl)c1O ZINC000000803549 559280162 /nfs/dbraw/zinc/28/01/62/559280162.db2.gz LKQBTFDKPOEKEO-LJQANCHMSA-N 0 1 403.309 5.921 40 30 HKEBMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc(Cl)cc(Cl)c1O ZINC000000803550 559280149 /nfs/dbraw/zinc/28/01/49/559280149.db2.gz LKQBTFDKPOEKEO-IBGZPJMESA-N 0 1 403.309 5.921 40 30 HKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1O ZINC000000821754 559281336 /nfs/dbraw/zinc/28/13/36/559281336.db2.gz CFDSLKGQCSQJST-WYMPLXKRSA-N 0 1 417.421 5.485 40 30 HKEBMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2c(c1)oc1ccccc12 ZINC000000826563 559281674 /nfs/dbraw/zinc/28/16/74/559281674.db2.gz JEOPEOYEOSLDOR-LSHDLFTRSA-N 0 1 400.659 6.458 40 30 HKEBMN CCOc1cccc(/C=N/c2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c1O ZINC000000864710 559292047 /nfs/dbraw/zinc/29/20/47/559292047.db2.gz MREKHARGQRKIKZ-DHRITJCHSA-N 0 1 402.450 5.672 40 30 HKEBMN O=C1/C(=C/c2ccc(Cl)cc2)CCC/C1=C/c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000001650740 557278864 /nfs/dbraw/zinc/27/88/64/557278864.db2.gz VGGDXIXJVYYRAS-BQKNYZPGSA-N 0 1 421.968 6.252 40 30 HKEBMN Cc1ccc(/C=C2\CCC/C(=C/c3ccc([O-])c(C[NH+]4CCCCC4)c3)C2=O)cc1 ZINC000001650742 557278922 /nfs/dbraw/zinc/27/89/22/557278922.db2.gz OLMOKVKLMNWDCR-ZNLNQYBNSA-N 0 1 401.550 5.907 40 30 HKEBMN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Cl)c4O)c3C)nc2c1 ZINC000001883295 560583506 /nfs/dbraw/zinc/58/35/06/560583506.db2.gz WISIZPRQFCSHHI-OPEKNORGSA-N 0 1 411.288 6.875 40 30 HKEBMN COc1cc(C=Nn2c(=S)[nH]nc2C2CCCCC2)ccc1OCc1ccccc1 ZINC000001901748 560583661 /nfs/dbraw/zinc/58/36/61/560583661.db2.gz GGCWCWYQAXTARR-IWIPYMOSSA-N 0 1 422.554 5.458 40 30 HKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1O ZINC000001955240 557297643 /nfs/dbraw/zinc/29/76/43/557297643.db2.gz QGGLCFIITKIGII-YDZHTSKRSA-N 0 1 419.462 5.726 40 30 HKEBMN O=C1c2ccccc2C2=C1[C@H](c1cccc(Cl)c1Cl)Sc1ccccc1N2 ZINC000002060922 560730045 /nfs/dbraw/zinc/73/00/45/560730045.db2.gz WRJXARRWQCUSNI-QFIPXVFZSA-N 0 1 410.325 6.860 40 30 HKEBMN O=C1c2ccccc2C2=C1[C@@H](c1cccc(Cl)c1Cl)Sc1ccccc1N2 ZINC000002060923 560730006 /nfs/dbraw/zinc/73/00/06/560730006.db2.gz WRJXARRWQCUSNI-JOCHJYFZSA-N 0 1 410.325 6.860 40 30 HKEBMN COc1ccc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc1OCc1ccccc1 ZINC000002324741 560559665 /nfs/dbraw/zinc/55/96/65/560559665.db2.gz LTCGAUWPJQSSCA-IWIPYMOSSA-N 0 1 416.506 5.077 40 30 HKEBMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3-c3ccc(C)cc3)ccc21 ZINC000002349717 557339328 /nfs/dbraw/zinc/33/93/28/557339328.db2.gz PSKZKZOLGZSOLP-MYYYXRDXSA-N 0 1 411.534 5.926 40 30 HKEBMN Oc1ccc(Cl)cc1/N=C/c1cc(Br)cc(Br)c1O ZINC000002756216 557380055 /nfs/dbraw/zinc/38/00/55/557380055.db2.gz ATQAUMKUZJFCMA-UBKPWBPPSA-N 0 1 405.473 5.027 40 30 HKEBMN O=[N+]([O-])c1ccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000002821101 557395982 /nfs/dbraw/zinc/39/59/82/557395982.db2.gz FPCAJAHNSFZETN-FOKLQQMPSA-N 0 1 411.248 6.196 40 30 HKEBMN Cc1cc2nc(-c3cc(/N=C/c4ccc(Br)cc4)ccc3O)oc2c(C)c1 ZINC000003032241 568844957 /nfs/dbraw/zinc/84/49/57/568844957.db2.gz GPIRUTDJJODIQP-WYMPLXKRSA-N 0 1 421.294 6.330 40 30 HKEBMN Cc1cc2nc(-c3cc(/N=C/c4ccc(Cl)cc4Cl)ccc3O)oc2c(C)c1 ZINC000003032244 557782987 /nfs/dbraw/zinc/78/29/87/557782987.db2.gz OREJDMZVZCUIOV-OPEKNORGSA-N 0 1 411.288 6.875 40 30 HKEBMN Oc1ccc(-c2ccccc2)cc1/N=C/c1cc(Cl)cc(Br)c1O ZINC000003033549 568845344 /nfs/dbraw/zinc/84/53/44/568845344.db2.gz JHAXGYHGTAFMGE-SSDVNMTOSA-N 0 1 402.675 5.931 40 30 HKEBMN Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Cl)cc(Cl)c4O)ccc3o2)c1 ZINC000003033607 568845307 /nfs/dbraw/zinc/84/53/07/568845307.db2.gz VILWSPTWJFRISY-OPEKNORGSA-N 0 1 411.288 6.875 40 30 HKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)c1O ZINC000003033965 568845333 /nfs/dbraw/zinc/84/53/33/568845333.db2.gz WIFNESGOFFRVRN-ZMOGYAJESA-N 0 1 417.421 5.566 40 30 HKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1O ZINC000003033977 568845298 /nfs/dbraw/zinc/84/52/98/568845298.db2.gz SHGHKFVIXHPKOS-YDZHTSKRSA-N 0 1 419.462 5.726 40 30 HKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000003042708 568848155 /nfs/dbraw/zinc/84/81/55/568848155.db2.gz YYSYWBNYCLUKLP-FOKLQQMPSA-N 0 1 407.357 5.007 40 30 HKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000003042717 568848219 /nfs/dbraw/zinc/84/82/19/568848219.db2.gz UWQNEFROPZQCPV-WYMPLXKRSA-N 0 1 421.384 5.397 40 30 HKEBMN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1 ZINC000003108865 568856168 /nfs/dbraw/zinc/85/61/68/568856168.db2.gz SKAWOISMKYEQDZ-LGJNPRDNSA-N 0 1 414.848 6.463 40 30 HKEBMN Cc1ccc2nc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 ZINC000003162037 568858785 /nfs/dbraw/zinc/85/87/85/568858785.db2.gz BMMFKNFMKPLAPZ-BHGWPJFGSA-N 0 1 413.329 7.035 40 30 HKEBMN Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Cl)c4O)c3)nc2c1 ZINC000003191021 560588795 /nfs/dbraw/zinc/58/87/95/560588795.db2.gz QVNGHLNHIOPLFI-OPEKNORGSA-N 0 1 411.288 6.875 40 30 HKEBMN Cc1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(Cl)c4O)c(C)c3)nc2c1 ZINC000003191548 560588884 /nfs/dbraw/zinc/58/88/84/560588884.db2.gz DZSMAKLLILVCGZ-OPEKNORGSA-N 0 1 411.288 6.875 40 30 HKEBMN O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000003206803 568846392 /nfs/dbraw/zinc/84/63/92/568846392.db2.gz FKFPFOUCILIKNJ-BRJLIKDPSA-N 0 1 410.256 6.223 40 30 HKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cccc3ccccc23)cc1 ZINC000004526636 557563896 /nfs/dbraw/zinc/56/38/96/557563896.db2.gz ARCXFJATZIPTEF-KOEQRZSOSA-N 0 1 400.503 5.700 40 30 HKEBMN CC(=NNc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000004595642 560607871 /nfs/dbraw/zinc/60/78/71/560607871.db2.gz SXCDWDPPOPUGBT-PKAZHMFMSA-N 0 1 409.449 5.555 40 30 HKEBMN CCOc1ccc(C=NNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1 ZINC000004595646 560607868 /nfs/dbraw/zinc/60/78/68/560607868.db2.gz CRPBSTIIQUOCIH-YZSQISJMSA-N 0 1 410.477 5.361 40 30 HKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 ZINC000004713910 560871593 /nfs/dbraw/zinc/87/15/93/560871593.db2.gz FIBGGUVJPJNSOO-CIAFOILYSA-N 0 1 413.275 5.211 40 30 HKEBMN COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OCc2ccccc2)cc1O ZINC000004727066 557587472 /nfs/dbraw/zinc/58/74/72/557587472.db2.gz OQXQZGIDTHOTGF-CCEZHUSRSA-N 0 1 410.469 6.029 40 30 HKEBMN Cc1cc2nc(-c3ccc(C)c(/N=C\c4cc([N+](=O)[O-])cc(C)c4O)c3)oc2c(C)c1 ZINC000004837963 560609277 /nfs/dbraw/zinc/60/92/77/560609277.db2.gz FGUICYOINZHLQU-ROTLSHHCSA-N 0 1 415.449 6.093 40 30 HKEBMN O=C([O-])c1ccc(N[NH+]=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000004871820 560614299 /nfs/dbraw/zinc/61/42/99/560614299.db2.gz DQVNIEQMPIZMEY-ZXVVBBHZSA-N 0 1 407.473 6.301 40 30 HKEBMN COc1ccc(Br)cc1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000004919183 560618529 /nfs/dbraw/zinc/61/85/29/560618529.db2.gz JLKYHPKTAQXZDI-FBCYGCLPSA-N 0 1 408.510 5.864 40 30 HKEBMN CCCCOc1ccc(CN=Nc2nc(-c3ccccc3O)nc3ccccc32)cc1 ZINC000005002593 557624210 /nfs/dbraw/zinc/62/42/10/557624210.db2.gz SOONMCWSNSEWHW-YZSQISJMSA-N 0 1 412.493 5.627 40 30 HKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4ccc(C)cc4o3)c2)c1O ZINC000005005169 560620604 /nfs/dbraw/zinc/62/06/04/560620604.db2.gz HHKSKLJJVJLJCV-FSJBWODESA-N 0 1 403.394 5.176 40 30 HKEBMN COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2C)c1O ZINC000005005632 560620595 /nfs/dbraw/zinc/62/05/95/560620595.db2.gz XWWCHBYWLYLHDA-WYMPLXKRSA-N 0 1 417.421 5.485 40 30 HKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O ZINC000005006208 560620639 /nfs/dbraw/zinc/62/06/39/560620639.db2.gz XBSWYFHETMCVPT-ZMOGYAJESA-N 0 1 417.421 5.566 40 30 HKEBMN CCOc1cc(C=Nn2c(=S)[nH]nc2CC)ccc1OCc1ccc(Cl)cc1 ZINC000005236554 560737302 /nfs/dbraw/zinc/73/73/02/560737302.db2.gz JWNWMYMWYLDCHU-WSDLNYQXSA-N 0 1 416.934 5.016 40 30 HKEBMN CCn1c2ccccc2c2cc(C=NNc3cc(C)nc4cc5c(cc43)OCO5)ccc21 ZINC000005392935 557650315 /nfs/dbraw/zinc/65/03/15/557650315.db2.gz ZXPGMLVLRGBYBF-MZJWZYIUSA-N 0 1 422.488 5.846 40 30 HKEBMN COc1ccc(C=NNc2cc(C)nc3ccc(C4CCCCC4)cc32)c2ccccc12 ZINC000005487810 557656986 /nfs/dbraw/zinc/65/69/86/557656986.db2.gz XKTXBIDXFXLOND-MIXAMLLLSA-N 0 1 423.560 7.199 40 30 HKEBMN CCCCOc1ccc2nc(C)cc(NN=Cc3ccc(OC)c4ccccc34)c2c1 ZINC000005499234 557657980 /nfs/dbraw/zinc/65/79/80/557657980.db2.gz QPCVKSRDKJDDDI-WPWMEQJKSA-N 0 1 413.521 6.330 40 30 HKEBMN COc1ccc(-c2ccc(/C=N\c3ccc(O)c(-c4nc5ccccc5o4)c3)o2)cc1 ZINC000005514016 557659084 /nfs/dbraw/zinc/65/90/84/557659084.db2.gz VEDDNDRITCMLEM-YSMPRRRNSA-N 0 1 410.429 6.220 40 30 HKEBMN Cc1ccc(NC(=S)N=CC(c2ccccc2)[S@@](=O)Cc2ccccc2)c(C)c1 ZINC000005553036 557661561 /nfs/dbraw/zinc/66/15/61/557661561.db2.gz CJSDAIJCUJJYKE-QBNATXNWSA-N 0 1 420.603 5.949 40 30 HKEBMN CCCCc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1 ZINC000005597370 557664333 /nfs/dbraw/zinc/66/43/33/557664333.db2.gz AILVEWMZOHTDPW-RGVLZGJSSA-N 0 1 411.137 6.010 40 30 HKEBMN Clc1cc(Cl)c(NN=Cc2ccc(OCc3ccccc3)cc2)c(Cl)c1 ZINC000005603365 560627806 /nfs/dbraw/zinc/62/78/06/560627806.db2.gz XDJVVWBTKKYYAF-WYMPLXKRSA-N 0 1 405.712 6.672 40 30 HKEBMN Oc1ccc(/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1-c1nc2ccccc2o1 ZINC000005605057 557664968 /nfs/dbraw/zinc/66/49/68/557664968.db2.gz UBWOESAWQARTQO-WGARJPEWSA-N 0 1 414.848 6.864 40 30 HKEBMN O=c1c2ccccc2nc(NN=Cc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000005776114 568454000 /nfs/dbraw/zinc/45/40/00/568454000.db2.gz SAGGHBCPWAVATQ-ZMOGYAJESA-N 0 1 409.276 5.139 40 30 HKEBMN Cc1ccc(/C=C2\CCC/C(=C\c3ccc([O-])c(C[NH+]4CCCCC4)c3)C2=O)cc1 ZINC000005836552 557676855 /nfs/dbraw/zinc/67/68/55/557676855.db2.gz OLMOKVKLMNWDCR-WPHIWBHXSA-N 0 1 401.550 5.907 40 30 HKEBMN Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000005858408 557677774 /nfs/dbraw/zinc/67/77/74/557677774.db2.gz HOZQSMVUMNDYOO-MONKAWABSA-N 0 1 415.518 5.160 40 30 HKEBMN Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000005858410 557677760 /nfs/dbraw/zinc/67/77/60/557677760.db2.gz HOZQSMVUMNDYOO-TYGLDRHGSA-N 0 1 415.518 5.160 40 30 HKEBMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000005879836 557678752 /nfs/dbraw/zinc/67/87/52/557678752.db2.gz MNAVICLDNOSQGO-IWIPYMOSSA-N 0 1 416.506 5.077 40 30 HKEBMN CCC(=O)Nc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 ZINC000005950716 557682382 /nfs/dbraw/zinc/68/23/82/557682382.db2.gz ZNPFOPDVBQHMPI-ZVBGSRNCSA-N 0 1 409.711 5.524 40 30 HKEBMN CCC(=O)Nc1cccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)c1 ZINC000005950761 557682361 /nfs/dbraw/zinc/68/23/61/557682361.db2.gz LOTJFSDFCLFGEN-ZVBGSRNCSA-N 0 1 409.711 5.524 40 30 HKEBMN CCOc1ccc2ccccc2c1C=C1SC(=N)C(c2nnc(CC)s2)=C1O ZINC000005988023 569361877 /nfs/dbraw/zinc/36/18/77/569361877.db2.gz DWRBJSDIUHFJTD-WDGURZEJSA-N 0 1 409.536 5.070 40 30 HKEBMN CC(C)c1n[nH]c(=S)n1N=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000006240256 557695731 /nfs/dbraw/zinc/69/57/31/557695731.db2.gz SKJWFSREVILDNX-ZVHZXABRSA-N 0 1 402.523 5.678 40 30 HKEBMN CCOC(=O)c1ccc(-n2c(C)cc(C=NNc3nc4ccccc4s3)c2C)cc1 ZINC000006319100 569330638 /nfs/dbraw/zinc/33/06/38/569330638.db2.gz UMSANYHGCCBXKP-ZVHZXABRSA-N 0 1 418.522 5.327 40 30 HKEBMN CCOC(=O)c1ccc(-n2c(C)cc(C=[NH+][N-]c3nc4ccccc4s3)c2C)cc1 ZINC000006319100 569330640 /nfs/dbraw/zinc/33/06/40/569330640.db2.gz UMSANYHGCCBXKP-ZVHZXABRSA-N 0 1 418.522 5.327 40 30 HKEBMN CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1 ZINC000006396796 568483737 /nfs/dbraw/zinc/48/37/37/568483737.db2.gz RCEAWEJJIYCRBR-SRZZPIQSSA-N 0 1 409.711 5.687 40 30 HKEBMN CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1 ZINC000006396805 568483210 /nfs/dbraw/zinc/48/32/10/568483210.db2.gz GNWHSQFNMFFVAQ-SRZZPIQSSA-N 0 1 409.711 5.687 40 30 HKEBMN CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(Br)c1O ZINC000006440234 569361913 /nfs/dbraw/zinc/36/19/13/569361913.db2.gz XHPUNUATBBBMIE-JZOCJUILSA-N 0 1 411.137 6.181 40 30 HKEBMN CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(Br)c1O ZINC000006449781 569361864 /nfs/dbraw/zinc/36/18/64/569361864.db2.gz XHPUNUATBBBMIE-KKBVUKDESA-N 0 1 411.137 6.181 40 30 HKEBMN CC(C)(C)c1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc(C(C)(C)C)c1O ZINC000006459288 560868780 /nfs/dbraw/zinc/86/87/80/560868780.db2.gz APPQTWXGKMRRDL-ZVHZXABRSA-N 0 1 408.571 5.790 40 30 HKEBMN CCCOc1ccc(C=NNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1 ZINC000006500671 560630996 /nfs/dbraw/zinc/63/09/96/560630996.db2.gz NDDZCUHLMLUNTQ-OVVQPSECSA-N 0 1 424.504 5.751 40 30 HKEBMN Oc1c(Br)cc(Br)cc1/C=N/C12CC3CC(CC(C3)C1)C2 ZINC000006505210 560743888 /nfs/dbraw/zinc/74/38/88/560743888.db2.gz WSVJPXMFSPUPOG-AWQFTUOYSA-N 0 1 413.153 5.305 40 30 HKEBMN Oc1cc(Br)c(/N=C/c2cc(Cl)ccc2O)c(Br)c1 ZINC000006505449 569361924 /nfs/dbraw/zinc/36/19/24/569361924.db2.gz PFKIHRMKKUZVCE-UBKPWBPPSA-N 0 1 405.473 5.027 40 30 HKEBMN Oc1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1Br ZINC000006528542 569361845 /nfs/dbraw/zinc/36/18/45/569361845.db2.gz MFXRKGPABQLGDH-SSDVNMTOSA-N 0 1 409.239 5.419 40 30 HKEBMN Clc1ccc(COc2ccccc2C=NN=c2[nH]c3ccccc3[nH]2)c(Cl)c1 ZINC000006609739 560744397 /nfs/dbraw/zinc/74/43/97/560744397.db2.gz CGIOOGFZHDQONA-WYMPLXKRSA-N 0 1 411.292 5.895 40 30 HKEBMN Clc1ccc(COc2ccccc2CN=Nc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000006609739 560744399 /nfs/dbraw/zinc/74/43/99/560744399.db2.gz CGIOOGFZHDQONA-WYMPLXKRSA-N 0 1 411.292 5.895 40 30 HKEBMN CC(=O)c1ccc(N=Cc2cc(Cc3ccccc3)cc(Br)c2O)cc1 ZINC000006614906 557710479 /nfs/dbraw/zinc/71/04/79/557710479.db2.gz QVJDFGUMTMOTRG-ZVHZXABRSA-N 0 1 408.295 5.699 40 30 HKEBMN COc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1OCc1ccccc1 ZINC000006622340 569362074 /nfs/dbraw/zinc/36/20/74/569362074.db2.gz MKWDQRGESORJRT-RPPGKUMJSA-N 0 1 401.388 5.134 40 30 HKEBMN Cc1ccc(N=Cc2ccc(Sc3nc(-c4ccccc4)n[nH]3)c([N+](=O)[O-])c2)cc1 ZINC000006840457 569334725 /nfs/dbraw/zinc/33/47/25/569334725.db2.gz QYWRHMULIMRRQI-OEAKJJBVSA-N 0 1 415.478 5.590 40 30 HKEBMN Oc1c(Br)cc2oc3c(c2c1/C=N/c1ccc(Cl)cn1)CCCC3 ZINC000006863433 557727439 /nfs/dbraw/zinc/72/74/39/557727439.db2.gz PNWNPYIYOOQOEI-LSFURLLWSA-N 0 1 405.679 5.579 40 30 HKEBMN C(=NNc1nc2ccccc2s1)c1ccccc1OCc1cccc2ccccc21 ZINC000006890636 560748008 /nfs/dbraw/zinc/74/80/08/560748008.db2.gz AYUBTZOPSCRSLA-WGOQTCKBSA-N 0 1 409.514 6.475 40 30 HKEBMN CCOc1cc(C)c(CC2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1C(C)C ZINC000006958348 569335805 /nfs/dbraw/zinc/33/58/05/569335805.db2.gz SKXBFZHMLHNOMZ-LEMNQXRHSA-N 0 1 424.610 5.938 40 30 HKEBMN CCOc1cc(C)c(CC2S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1C(C)C ZINC000006958363 569335878 /nfs/dbraw/zinc/33/58/78/569335878.db2.gz SKXBFZHMLHNOMZ-GFGGGFFZSA-N 0 1 424.610 5.938 40 30 HKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1cccc2ccccc21 ZINC000007343312 569337180 /nfs/dbraw/zinc/33/71/80/569337180.db2.gz HFAGRFQUUXDIDZ-WPWMEQJKSA-N 0 1 406.489 5.752 40 30 HKEBMN Cn1c2ccccc2nc1N=NCc1ccccc1OCc1cccc2ccccc21 ZINC000007343312 569337181 /nfs/dbraw/zinc/33/71/81/569337181.db2.gz HFAGRFQUUXDIDZ-WPWMEQJKSA-N 0 1 406.489 5.752 40 30 HKEBMN Cn1c2ccccc2nc1N=NCc1ccc(OCc2cccc3ccccc32)cc1 ZINC000007343324 569337194 /nfs/dbraw/zinc/33/71/94/569337194.db2.gz PGAKEKUDJQQEDS-WPWMEQJKSA-N 0 1 406.489 5.752 40 30 HKEBMN COc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1 ZINC000007343335 569337172 /nfs/dbraw/zinc/33/71/72/569337172.db2.gz JKWUNPHMNDWXRY-AFUMVMLFSA-N 0 1 420.900 5.260 40 30 HKEBMN Cc1ccc(-c2ccc(C=N[N-]c3[nH+]c4ccccc4n3C)o2)cc1Br ZINC000007343375 569337175 /nfs/dbraw/zinc/33/71/75/569337175.db2.gz GMTVFFTVHMWOLK-WSDLNYQXSA-N 0 1 409.287 5.350 40 30 HKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000007343401 569337218 /nfs/dbraw/zinc/33/72/18/569337218.db2.gz OUQHFUYIJTUNSF-VULFUBBASA-N 0 1 413.912 5.676 40 30 HKEBMN Cn1c2ccccc2nc1N=NCc1cccc(OCc2cccc3ccccc32)c1 ZINC000007343413 569337207 /nfs/dbraw/zinc/33/72/07/569337207.db2.gz TUKOHPKIGPKTFK-WPWMEQJKSA-N 0 1 406.489 5.752 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1cccc(Cl)c1Cl ZINC000007343440 569337220 /nfs/dbraw/zinc/33/72/20/569337220.db2.gz PTLRGCFXTUUMMN-WYMPLXKRSA-N 0 1 412.324 5.734 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000007343441 569337209 /nfs/dbraw/zinc/33/72/09/569337209.db2.gz KIFFWHMJGQPDMS-WYMPLXKRSA-N 0 1 412.324 5.734 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1cc(Cl)ccc1Cl ZINC000007343442 569337239 /nfs/dbraw/zinc/33/72/39/569337239.db2.gz OXRQMNDYPBJQQG-WYMPLXKRSA-N 0 1 412.324 5.734 40 30 HKEBMN Cc1c(C=NN=c2[nH]c3ccccc3n2C)c2ccccc2n1Cc1ccc(F)cc1 ZINC000007343453 569337231 /nfs/dbraw/zinc/33/72/31/569337231.db2.gz PAUBOADJAJIHOF-JFLMPSFJSA-N 0 1 411.484 5.470 40 30 HKEBMN C=CCOc1c(Cl)cc(Cc2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)cc1OC ZINC000008306593 568497229 /nfs/dbraw/zinc/49/72/29/568497229.db2.gz KAENCRJCWMNLPC-QGZVFWFLSA-N 0 1 419.308 5.148 40 30 HKEBMN O=[N+]([O-])c1ccccc1/N=C/c1cc(Cc2ccccc2)cc(Br)c1O ZINC000008381346 557784529 /nfs/dbraw/zinc/78/45/29/557784529.db2.gz XNGWXNUVKXKLNA-LPYMAVHISA-N 0 1 411.255 5.404 40 30 HKEBMN Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000008559406 560755544 /nfs/dbraw/zinc/75/55/44/560755544.db2.gz MIZQTMHBGVLQGW-LFVRLGFBSA-N 0 1 414.465 5.035 40 30 HKEBMN Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@@H](C)C1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000008559409 560755537 /nfs/dbraw/zinc/75/55/37/560755537.db2.gz MIZQTMHBGVLQGW-PSLXWICFSA-N 0 1 414.465 5.035 40 30 HKEBMN Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000008559410 560755512 /nfs/dbraw/zinc/75/55/12/560755512.db2.gz MIZQTMHBGVLQGW-QKFKETGDSA-N 0 1 414.465 5.035 40 30 HKEBMN Cc1nn2c(c1-c1ccccc1)NC1=C(C(=O)C[C@H](C)C1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000008559413 560755492 /nfs/dbraw/zinc/75/54/92/560755492.db2.gz MIZQTMHBGVLQGW-FATZIPQQSA-N 0 1 414.465 5.035 40 30 HKEBMN O=C1/C(=C\c2ccc(Cl)cc2)CCC/C1=C/c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000008665902 557799472 /nfs/dbraw/zinc/79/94/72/557799472.db2.gz VGGDXIXJVYYRAS-BMJUYKDLSA-N 0 1 421.968 6.252 40 30 HKEBMN Cc1ccc2nc(C(Cl)(Cl)Cl)nc(N=NCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000008690522 560637532 /nfs/dbraw/zinc/63/75/32/560637532.db2.gz MRHJELMQAQKKDF-ZVBGSRNCSA-N 0 1 424.675 5.119 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1F ZINC000008801752 569032011 /nfs/dbraw/zinc/03/20/11/569032011.db2.gz AVHKYPAXEWRMIX-ZMOGYAJESA-N 0 1 421.453 5.109 40 30 HKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O ZINC000008935017 560640478 /nfs/dbraw/zinc/64/04/78/560640478.db2.gz IJIUVMPJBJXFMX-WYMPLXKRSA-N 0 1 421.384 5.397 40 30 HKEBMN O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 ZINC000008989906 568938674 /nfs/dbraw/zinc/93/86/74/568938674.db2.gz UBVBHNKSFWVORU-ZVBGSRNCSA-N 0 1 410.644 6.261 40 30 HKEBMN FC(F)(F)c1ccccc1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012375470 558391870 /nfs/dbraw/zinc/39/18/70/558391870.db2.gz WGUMCRAUDFSVIH-RHANQZHGSA-N 0 1 421.466 5.427 40 30 HKEBMN FC(F)(F)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000012377182 558392282 /nfs/dbraw/zinc/39/22/82/558392282.db2.gz OBMMSIXSLVUGHO-RHANQZHGSA-N 0 1 421.466 5.427 40 30 HKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2Br)cc1 ZINC000012381756 558393597 /nfs/dbraw/zinc/39/35/97/558393597.db2.gz HCCJFFGINWYZER-MTJSOVHGSA-N 0 1 415.360 5.550 40 30 HKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000012463280 569401547 /nfs/dbraw/zinc/40/15/47/569401547.db2.gz YQXKGUJOMJIAFQ-JJFYIABZSA-N 0 1 405.354 6.094 40 30 HKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000012463464 569401607 /nfs/dbraw/zinc/40/16/07/569401607.db2.gz MUFCLWAKVXJBIC-JJFYIABZSA-N 0 1 405.354 6.094 40 30 HKEBMN Clc1cccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1Cl ZINC000012463474 558419604 /nfs/dbraw/zinc/41/96/04/558419604.db2.gz IKORQPYEYPAXPM-YUMHPJSZSA-N 0 1 422.359 5.715 40 30 HKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2c(Cl)cccc2Cl)cc1 ZINC000012463632 569401538 /nfs/dbraw/zinc/40/15/38/569401538.db2.gz JETHSXMWVXMJRE-JJFYIABZSA-N 0 1 405.354 6.094 40 30 HKEBMN Clc1cccc(Cl)c1/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012463832 558419870 /nfs/dbraw/zinc/41/98/70/558419870.db2.gz HKDDOHWQQLCMJP-YUMHPJSZSA-N 0 1 422.359 5.715 40 30 HKEBMN COc1ccccc1/C=C\C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000012464660 569401584 /nfs/dbraw/zinc/40/15/84/569401584.db2.gz TZGWMQUPMCHRJQ-KMCRVJJJSA-N 0 1 409.533 5.082 40 30 HKEBMN CC(C)(C)c1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000012464787 569401605 /nfs/dbraw/zinc/40/16/05/569401605.db2.gz PADTVFHGIZZMAR-BRPDVVIDSA-N 0 1 409.577 5.706 40 30 HKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(Br)cc2)cc1 ZINC000012465341 569401543 /nfs/dbraw/zinc/40/15/43/569401543.db2.gz GWPMKJRFDFBKFC-MTJSOVHGSA-N 0 1 415.360 5.550 40 30 HKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Cl)c2Cl)cc1 ZINC000012465938 569401633 /nfs/dbraw/zinc/40/16/33/569401633.db2.gz VZCSYUHRRGNDKC-JJFYIABZSA-N 0 1 405.354 6.094 40 30 HKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2cccc(Br)c2)cc1 ZINC000012466507 569401563 /nfs/dbraw/zinc/40/15/63/569401563.db2.gz IKEQMRPFYAIWFX-MTJSOVHGSA-N 0 1 415.360 5.550 40 30 HKEBMN Clc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1Cl ZINC000012466695 569401599 /nfs/dbraw/zinc/40/15/99/569401599.db2.gz VXPKWRXTBVZJAX-YUMHPJSZSA-N 0 1 422.359 5.715 40 30 HKEBMN Clc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)c(Cl)c1 ZINC000012466698 569401512 /nfs/dbraw/zinc/40/15/12/569401512.db2.gz MCNKNEUWFPOBKM-YUMHPJSZSA-N 0 1 422.359 5.715 40 30 HKEBMN ClC(/C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 ZINC000012467809 558420682 /nfs/dbraw/zinc/42/06/82/558420682.db2.gz FJAHAMZVQINZKB-SZZBNFCASA-N 0 1 413.952 5.640 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1ccc(Br)cc1 ZINC000012550899 526096237 /nfs/dbraw/zinc/09/62/37/526096237.db2.gz RGAVJCZXDDCYBS-YDZHTSKRSA-N 0 1 422.330 5.189 40 30 HKEBMN Cc1ccc(NN=Cc2cc(Br)cc(Br)c2O)cc1Cl ZINC000012566200 569401831 /nfs/dbraw/zinc/40/18/31/569401831.db2.gz HOIANBCNNVMMCD-CNHKJKLMSA-N 0 1 418.516 5.325 40 30 HKEBMN Clc1ccc(COc2ccc(CN=Nc3nc4ccccc4[nH]3)cc2)c(Cl)c1 ZINC000012967319 569344824 /nfs/dbraw/zinc/34/48/24/569344824.db2.gz YVHCMTAANUMOFS-WYMPLXKRSA-N 0 1 411.292 5.895 40 30 HKEBMN O=C(Nc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1)c1ccco1 ZINC000013126096 560800242 /nfs/dbraw/zinc/80/02/42/560800242.db2.gz QWMBWLLSPJNPDR-UFFVCSGVSA-N 0 1 419.662 5.404 40 30 HKEBMN Cc1ccc2nc(C(Cl)(Cl)Cl)nc(NN=Cc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000013132857 569211514 /nfs/dbraw/zinc/21/15/14/569211514.db2.gz NPHCOEHFXGNYFQ-ZVBGSRNCSA-N 0 1 424.675 5.119 40 30 HKEBMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O ZINC000013476816 560811015 /nfs/dbraw/zinc/81/10/15/560811015.db2.gz DQYFLHDCWMAKRA-WYMPLXKRSA-N 0 1 421.384 5.397 40 30 HKEBMN O=[N+]([O-])c1cccc(C=Nc2ccc3nc(-c4ccc(Cl)cc4Cl)[nH]c3c2)c1 ZINC000013550448 558538962 /nfs/dbraw/zinc/53/89/62/558538962.db2.gz ZFMDNGPLSQQHCO-FOKLQQMPSA-N 0 1 411.248 6.196 40 30 HKEBMN CCCOc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000013940939 558985090 /nfs/dbraw/zinc/98/50/90/558985090.db2.gz XGOGLOWKTNVKDQ-RRAHZORUSA-N 0 1 411.549 5.197 40 30 HKEBMN Cc1c(C=NN=c2[nH]c3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1Cl ZINC000014134278 560838783 /nfs/dbraw/zinc/83/87/83/560838783.db2.gz FTNLRPZJRBHNRI-VULFUBBASA-N 0 1 413.912 5.974 40 30 HKEBMN COc1cccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 ZINC000014163724 560839577 /nfs/dbraw/zinc/83/95/77/560839577.db2.gz HOVXOXFKGDFUPX-JBEBIEQOSA-N 0 1 417.484 5.274 40 30 HKEBMN COc1cccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 ZINC000014163727 560839573 /nfs/dbraw/zinc/83/95/73/560839573.db2.gz HOVXOXFKGDFUPX-SHACYNPGSA-N 0 1 417.484 5.274 40 30 HKEBMN COc1cccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 ZINC000014163731 560839546 /nfs/dbraw/zinc/83/95/46/560839546.db2.gz HOVXOXFKGDFUPX-LFPIHBKWSA-N 0 1 417.484 5.274 40 30 HKEBMN COc1cccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 ZINC000014163735 560839565 /nfs/dbraw/zinc/83/95/65/560839565.db2.gz HOVXOXFKGDFUPX-BSEYFRJRSA-N 0 1 417.484 5.274 40 30 HKEBMN COc1ccccc1[C@@H]1C2=C(C[C@@H](C)CC2=O)Nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000014163752 560839575 /nfs/dbraw/zinc/83/95/75/560839575.db2.gz MSKIQDPZHLCDNX-JBEBIEQOSA-N 0 1 417.484 5.274 40 30 HKEBMN COc1ccccc1[C@H]1C2=C(C[C@@H](C)CC2=O)Nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000014163754 560839579 /nfs/dbraw/zinc/83/95/79/560839579.db2.gz MSKIQDPZHLCDNX-SHACYNPGSA-N 0 1 417.484 5.274 40 30 HKEBMN COc1ccccc1[C@@H]1C2=C(C[C@H](C)CC2=O)Nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000014163758 560839528 /nfs/dbraw/zinc/83/95/28/560839528.db2.gz MSKIQDPZHLCDNX-LFPIHBKWSA-N 0 1 417.484 5.274 40 30 HKEBMN COc1ccccc1[C@H]1C2=C(C[C@H](C)CC2=O)Nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000014163762 560839571 /nfs/dbraw/zinc/83/95/71/560839571.db2.gz MSKIQDPZHLCDNX-BSEYFRJRSA-N 0 1 417.484 5.274 40 30 HKEBMN Brc1ccc(COc2ccc(CN=Nc3nc4ccccc4[nH]3)cc2)cc1 ZINC000014407434 560845649 /nfs/dbraw/zinc/84/56/49/560845649.db2.gz YXAATDATEZCITP-YDZHTSKRSA-N 0 1 421.298 5.350 40 30 HKEBMN Brc1ccc(COc2ccccc2C=NN=c2[nH]c3ccccc3[nH]2)cc1 ZINC000014407438 560845628 /nfs/dbraw/zinc/84/56/28/560845628.db2.gz IUHFAWYIZDLQQU-YDZHTSKRSA-N 0 1 421.298 5.350 40 30 HKEBMN Brc1ccc(COc2ccccc2CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000014407438 560845630 /nfs/dbraw/zinc/84/56/30/560845630.db2.gz IUHFAWYIZDLQQU-YDZHTSKRSA-N 0 1 421.298 5.350 40 30 HKEBMN C(=NNc1nc2ccccc2s1)c1cccc(OCc2cccc3ccccc32)c1 ZINC000014408427 560845665 /nfs/dbraw/zinc/84/56/65/560845665.db2.gz XBOGBVFVOYCLSM-WGOQTCKBSA-N 0 1 409.514 6.475 40 30 HKEBMN C(=[NH+][N-]c1nc2ccccc2s1)c1cccc(OCc2cccc3ccccc32)c1 ZINC000014408427 560845666 /nfs/dbraw/zinc/84/56/66/560845666.db2.gz XBOGBVFVOYCLSM-WGOQTCKBSA-N 0 1 409.514 6.475 40 30 HKEBMN O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(/C=N/Cc2ccccc2)cc1 ZINC000014920455 558679278 /nfs/dbraw/zinc/67/92/78/558679278.db2.gz LLUGQRMGDSGBJX-XMGIWCJVSA-N 0 1 420.306 5.687 40 30 HKEBMN Oc1cc(/N=C/c2ccc(OCc3ccccc3)cc2)ccc1-c1nc2ccccc2o1 ZINC000014920625 558679322 /nfs/dbraw/zinc/67/93/22/558679322.db2.gz LEIFXYSPVQJROE-OGLMXYFKSA-N 0 1 420.468 6.530 40 30 HKEBMN Cc1ccc2nc(-c3cc(N=Cc4cc(Br)ccc4O)ccc3O)[nH]c2c1 ZINC000015134765 568691966 /nfs/dbraw/zinc/69/19/66/568691966.db2.gz CEYIHQNECVLLFA-FOKLQQMPSA-N 0 1 422.282 5.463 40 30 HKEBMN Brc1cc2c(cc1C=Nc1ccc3nc(-c4ccccc4)[nH]c3c1)OCO2 ZINC000015134768 558724728 /nfs/dbraw/zinc/72/47/28/558724728.db2.gz FJNJFYQPRBESMT-FOKLQQMPSA-N 0 1 420.266 5.472 40 30 HKEBMN CCc1ccc2oc(-c3cc(/N=C\c4cc(Cl)cc(OC)c4O)ccc3O)nc2c1 ZINC000016162193 558774786 /nfs/dbraw/zinc/77/47/86/558774786.db2.gz FPWMMTMMCDBFNV-ROTLSHHCSA-N 0 1 422.868 5.881 40 30 HKEBMN CCc1ccc2oc(-c3cc(/N=C\c4cc5c(cc4Cl)OCO5)ccc3O)nc2c1 ZINC000016162199 558774801 /nfs/dbraw/zinc/77/48/01/558774801.db2.gz XACKNEHPNGSHBS-GATIEOLUSA-N 0 1 420.852 5.896 40 30 HKEBMN CN(/N=C/C(=N\N(C)c1ccccc1)c1ccc(Br)cc1)c1ccccc1 ZINC000016188768 558776993 /nfs/dbraw/zinc/77/69/93/558776993.db2.gz UNIASKASSFVAJL-GIHPTVFISA-N 0 1 421.342 5.412 40 30 HKEBMN COc1ccc(/N=C/c2cc(Cl)cc(Br)c2O)cc1Br ZINC000016226571 558779815 /nfs/dbraw/zinc/77/98/15/558779815.db2.gz KZJMGNJOWFSSLD-CNHKJKLMSA-N 0 1 419.500 5.330 40 30 HKEBMN COc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1Br ZINC000016226575 558779793 /nfs/dbraw/zinc/77/97/93/558779793.db2.gz IZWGFXNPJHJCRD-CNHKJKLMSA-N 0 1 419.500 5.330 40 30 HKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1O ZINC000016269527 558782915 /nfs/dbraw/zinc/78/29/15/558782915.db2.gz ALQMOFQUQPZYEH-FOKLQQMPSA-N 0 1 406.829 5.556 40 30 HKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2C)c1O ZINC000016269566 558782941 /nfs/dbraw/zinc/78/29/41/558782941.db2.gz KNMNOEVHIBNXLP-BHGWPJFGSA-N 0 1 421.840 6.129 40 30 HKEBMN COc1cc(Cl)cc(/C=N\c2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1O ZINC000016284179 558783501 /nfs/dbraw/zinc/78/35/01/558783501.db2.gz QXIFNQZWRYEBFL-GATIEOLUSA-N 0 1 422.868 5.935 40 30 HKEBMN Clc1ccc(N=C(C=CNc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000016400091 558789721 /nfs/dbraw/zinc/78/97/21/558789721.db2.gz RJDZDTMMAXABRO-HNCIKHADSA-N 0 1 401.724 7.393 40 30 HKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000016429687 526324403 /nfs/dbraw/zinc/32/44/03/526324403.db2.gz AWJABDIMKBPWCI-YSURURNPSA-N 0 1 401.224 6.397 40 30 HKEBMN O/N=C/c1ccccc1OCc1nc2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000016449070 527590041 /nfs/dbraw/zinc/59/00/41/527590041.db2.gz VSANYBJJVBUYNK-AFUMVMLFSA-N 0 1 403.869 5.261 40 30 HKEBMN O=S(=O)(Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1)c1ccc(Cl)cc1 ZINC000016450754 558792408 /nfs/dbraw/zinc/79/24/08/558792408.db2.gz KIRPBMNEJXKYST-ZBJSNUHESA-N 0 1 421.305 5.021 40 30 HKEBMN C(=NNc1nc2ccccc2s1)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000016490758 560860991 /nfs/dbraw/zinc/86/09/91/560860991.db2.gz SVVVLPJPCVXILH-XYGWBWBKSA-N 0 1 412.518 5.776 40 30 HKEBMN O=C(/C=C/C1=C(N2CCCC2)CCc2ccccc21)c1cccc(Br)c1 ZINC000016524687 558795204 /nfs/dbraw/zinc/79/52/04/558795204.db2.gz NUZIQLSTCVSONG-ACCUITESSA-N 0 1 408.339 5.641 40 30 HKEBMN CCC(=O)Nc1cc(/N=C/c2cc(Cl)cc(Br)c2O)ccc1Cl ZINC000016609878 558796735 /nfs/dbraw/zinc/79/67/35/558796735.db2.gz XAOPKPMRIYHCBO-DNTJNYDQSA-N 0 1 416.102 5.561 40 30 HKEBMN CCCC(=O)Nc1ccc(/N=C/c2c(C)c(Cl)c(C)c(Br)c2O)cc1 ZINC000016637176 558797340 /nfs/dbraw/zinc/79/73/40/558797340.db2.gz NBQBFYWGWWDGIP-LSHDLFTRSA-N 0 1 423.738 5.914 40 30 HKEBMN O=C(C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000016739615 558803122 /nfs/dbraw/zinc/80/31/22/558803122.db2.gz YHGLDNGIKVHRHT-KFHWJWAOSA-N 0 1 420.921 5.749 40 30 HKEBMN O=C(C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000016739616 558803133 /nfs/dbraw/zinc/80/31/33/558803133.db2.gz YHGLDNGIKVHRHT-VXJVBQPQSA-N 0 1 420.921 5.749 40 30 HKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2c(O)ccc3ccccc32)cc1 ZINC000016923187 558809316 /nfs/dbraw/zinc/80/93/16/558809316.db2.gz GHOIBIHUGLCMII-XYGWBWBKSA-N 0 1 416.502 5.405 40 30 HKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cccc3cccnc23)cc1 ZINC000016923195 558809325 /nfs/dbraw/zinc/80/93/25/558809325.db2.gz GNISQFJOLLZECU-PCLIKHOPSA-N 0 1 401.491 5.095 40 30 HKEBMN COc1ccc(C=NNc2cc(C)nc3ccc(C4CCCCC4)cc32)c2ccccc12 ZINC000016942309 523444250 /nfs/dbraw/zinc/44/42/50/523444250.db2.gz XKTXBIDXFXLOND-RDRPBHBLSA-N 0 1 423.560 7.199 40 30 HKEBMN CCN(CC)c1ccc(C=[NH+][N-]c2cc(C)nc3ccc(C4CCCCC4)cc23)cc1 ZINC000016942314 558809507 /nfs/dbraw/zinc/80/95/07/558809507.db2.gz BDOZTUAHIKVCSK-TURZUDJPSA-N 0 1 414.597 6.883 40 30 HKEBMN Cc1ccc(/C=C2/CCC/C(=C/c3ccc([O-])c(C[NH+]4CCCCC4)c3)C2=O)cc1 ZINC000016958924 558810395 /nfs/dbraw/zinc/81/03/95/558810395.db2.gz OLMOKVKLMNWDCR-KHFFFTKUSA-N 0 1 401.550 5.907 40 30 HKEBMN COc1ccc2ccccc2c1/C=C\C(=O)c1ccc(OCc2ccccc2)cc1O ZINC000017315905 558826986 /nfs/dbraw/zinc/82/69/86/558826986.db2.gz OQXQZGIDTHOTGF-PFONDFGASA-N 0 1 410.469 6.029 40 30 HKEBMN O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C/c1ccccc1O)c1ccccc1 ZINC000018126119 558831590 /nfs/dbraw/zinc/83/15/90/558831590.db2.gz AMDDEZSSUXJEKF-WSDLNYQXSA-N 0 1 421.305 5.250 40 30 HKEBMN O=C1CN=C(c2ccccc2)[C@H](c2ccccc2)C1=C(O)C=Cc1ccc(Cl)cc1 ZINC000019203728 558847525 /nfs/dbraw/zinc/84/75/25/558847525.db2.gz RQRCXSWMJGLQTL-GGCQMZMESA-N 0 1 413.904 5.394 40 30 HKEBMN O=C1CN=C(c2ccccc2)[C@H](c2ccccc2)C1=C(O)C=Cc1ccc(Cl)cc1 ZINC000019203731 558847514 /nfs/dbraw/zinc/84/75/14/558847514.db2.gz RQRCXSWMJGLQTL-QQXGHWHYSA-N 0 1 413.904 5.394 40 30 HKEBMN O=C1CN=C(c2ccccc2)[C@@H](c2ccccc2)C1=C(O)C=Cc1ccc(Cl)cc1 ZINC000019203733 558847472 /nfs/dbraw/zinc/84/74/72/558847472.db2.gz RQRCXSWMJGLQTL-RVQAHCINSA-N 0 1 413.904 5.394 40 30 HKEBMN O=C1CN=C(c2ccccc2)[C@@H](c2ccccc2)C1=C(O)C=Cc1ccc(Cl)cc1 ZINC000019203736 558847485 /nfs/dbraw/zinc/84/74/85/558847485.db2.gz RQRCXSWMJGLQTL-GUYDGBRCSA-N 0 1 413.904 5.394 40 30 HKEBMN COc1ccccc1/C=C\C=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019682466 569428449 /nfs/dbraw/zinc/42/84/49/569428449.db2.gz TZGWMQUPMCHRJQ-VIULKTAFSA-N 0 1 409.533 5.082 40 30 HKEBMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000019850079 523177885 /nfs/dbraw/zinc/17/78/85/523177885.db2.gz LHLQETWCXXHETK-IWIPYMOSSA-N 0 1 416.506 5.077 40 30 HKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1 ZINC000019860989 519009718 /nfs/dbraw/zinc/00/97/18/519009718.db2.gz ZUBNTFPDHJZUIE-MSXFZWOLSA-N 0 1 404.461 5.806 40 30 HKEBMN C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc2ccccc12 ZINC000019861266 558298149 /nfs/dbraw/zinc/29/81/49/558298149.db2.gz CTGXXIUKDMUJTI-BRPDVVIDSA-N 0 1 403.529 5.561 40 30 HKEBMN CCCCCCc1cc2cc(/C(C)=N/Nc3ccc([N+](=O)[O-])cc3)c(=[NH2+])oc2cc1[O-] ZINC000021487071 520137579 /nfs/dbraw/zinc/13/75/79/520137579.db2.gz UHCMUDCEYVOSKV-SJJRHDKUSA-N 0 1 422.485 5.485 40 30 HKEBMN O=C(c1cccs1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000030823032 526838659 /nfs/dbraw/zinc/83/86/59/526838659.db2.gz OGLRLBHVWNJZEK-OAQYLSRUSA-N 0 1 406.532 5.630 40 30 HKEBMN O=C(c1cccs1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000030823033 526838944 /nfs/dbraw/zinc/83/89/44/526838944.db2.gz OGLRLBHVWNJZEK-NRFANRHFSA-N 0 1 406.532 5.630 40 30 HKEBMN CC1=C[C@@H](CN(C)CCC#N)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000030883446 520881397 /nfs/dbraw/zinc/88/13/97/520881397.db2.gz HAWDZLHCVPPKLE-ZJOUEHCJSA-N 0 1 410.537 5.118 40 30 biogenic,in-vitro HKEBMN CCn1c2ccccc2c2cc(C=NNc3cc(C)nc4cc5c(cc43)OCO5)ccc21 ZINC000031769281 523275682 /nfs/dbraw/zinc/27/56/82/523275682.db2.gz ZXPGMLVLRGBYBF-VYYCAZPPSA-N 0 1 422.488 5.846 40 30 HKEBMN CCCCOc1ccc2nc(C)cc(NN=Cc3ccc(OC)c4ccccc34)c2c1 ZINC000031769290 520898290 /nfs/dbraw/zinc/89/82/90/520898290.db2.gz QPCVKSRDKJDDDI-PKAZHMFMSA-N 0 1 413.521 6.330 40 30 HKEBMN CCN(CC)c1ccc(C=[NH+][N-]c2cc(C)nc3ccc(C4CCCCC4)cc23)cc1 ZINC000031772310 520885953 /nfs/dbraw/zinc/88/59/53/520885953.db2.gz BDOZTUAHIKVCSK-USHMODERSA-N 0 1 414.597 6.883 40 30 HKEBMN O=C1/C(=C/c2ccc(Cl)cc2)CCC/C1=C\c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000031872010 558753266 /nfs/dbraw/zinc/75/32/66/558753266.db2.gz VGGDXIXJVYYRAS-YHARCJFQSA-N 0 1 421.968 6.252 40 30 HKEBMN O=C1/C(=C/c2ccc([O-])c(C[NH+]3CCCCC3)c2)CCC/C1=C/c1ccc(Cl)cc1 ZINC000031872012 526941341 /nfs/dbraw/zinc/94/13/41/526941341.db2.gz VGGDXIXJVYYRAS-KBNZVFGVSA-N 0 1 421.968 6.252 40 30 HKEBMN Cc1ccc(/C=C2/CCC/C(=C\c3ccc([O-])c(C[NH+]4CCCCC4)c3)C2=O)cc1 ZINC000031872018 525960173 /nfs/dbraw/zinc/96/01/73/525960173.db2.gz OLMOKVKLMNWDCR-JVBWRSBESA-N 0 1 401.550 5.907 40 30 HKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000032109295 526098872 /nfs/dbraw/zinc/09/88/72/526098872.db2.gz UAIJHEDRASBVKT-ROTLSHHCSA-N 0 1 414.456 6.169 40 30 HKEBMN Cc1ccc(Sc2ccc(C=NNc3nc4ccccc4s3)cc2[N+](=O)[O-])cc1 ZINC000032124662 525669966 /nfs/dbraw/zinc/66/99/66/525669966.db2.gz HETNEENGQISBJH-XKZIYDEJSA-N 0 1 420.519 6.110 40 30 HKEBMN CCOc1ccc2ccccc2c1C=C1SC(=N)C(c2nnc(CC)s2)=C1O ZINC000033382591 569362330 /nfs/dbraw/zinc/36/23/30/569362330.db2.gz DWRBJSDIUHFJTD-NHEOGQCNSA-N 0 1 409.536 5.070 40 30 HKEBMN O=[N+]([O-])c1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1 ZINC000033395799 527352853 /nfs/dbraw/zinc/35/28/53/527352853.db2.gz AZMVQNKOQXORDV-XKZIYDEJSA-N 0 1 404.451 5.230 40 30 HKEBMN O=[N+]([O-])c1ccc(COc2cccc(C=[NH+][N-]c3nc4ccccc4s3)c2)cc1 ZINC000033395799 527352859 /nfs/dbraw/zinc/35/28/59/527352859.db2.gz AZMVQNKOQXORDV-XKZIYDEJSA-N 0 1 404.451 5.230 40 30 HKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1 ZINC000033395905 520647141 /nfs/dbraw/zinc/64/71/41/520647141.db2.gz NVUSMARWVUWXLK-IWIPYMOSSA-N 0 1 403.507 5.720 40 30 HKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccccc1 ZINC000033395905 520647145 /nfs/dbraw/zinc/64/71/45/520647145.db2.gz NVUSMARWVUWXLK-IWIPYMOSSA-N 0 1 403.507 5.720 40 30 HKEBMN C/C(=N/N1CCN(Cc2cccc3ccccc32)CC1)c1ccc(-c2ccccc2)cc1 ZINC000033422890 518448903 /nfs/dbraw/zinc/44/89/03/518448903.db2.gz STRNSYSTPKOCAX-WMMMYUQOSA-N 0 1 419.572 6.049 40 30 HKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1cccc(C)c1C ZINC000033534098 568697247 /nfs/dbraw/zinc/69/72/47/568697247.db2.gz AEOKCTQOWZOWJU-QSXAEAPWSA-N 0 1 407.564 5.585 40 30 HKEBMN CCCOc1ccc2ccccc2c1C=C1SC(=N)C(c2nnc(CC)s2)=C1O ZINC000033547068 569362386 /nfs/dbraw/zinc/36/23/86/569362386.db2.gz WWVHKLBISOKRDG-NQDHANQRSA-N 0 1 423.563 5.460 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc(Cl)cc1 ZINC000033650560 522007143 /nfs/dbraw/zinc/00/71/43/522007143.db2.gz JESSIPLYLOPMCW-CFRMEGHHSA-N 0 1 423.925 5.983 40 30 HKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 ZINC000033650560 522007153 /nfs/dbraw/zinc/00/71/53/522007153.db2.gz JESSIPLYLOPMCW-CFRMEGHHSA-N 0 1 423.925 5.983 40 30 HKEBMN N=C1SC(=Cc2cn(Cc3ccccc3)c3ccccc23)C(O)=C1c1nccs1 ZINC000033685442 569362347 /nfs/dbraw/zinc/36/23/47/569362347.db2.gz TWHRGUHWSPEATI-XYJKTABCSA-N 0 1 415.543 5.564 40 30 HKEBMN N#Cc1ccccc1COc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)cc1 ZINC000033735675 569362473 /nfs/dbraw/zinc/36/24/73/569362473.db2.gz IQSPAHVOYXEXEY-OKYLLYMWSA-N 0 1 417.515 5.012 40 30 HKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(Cl)cc1 ZINC000033752537 568698663 /nfs/dbraw/zinc/69/86/63/568698663.db2.gz HRKLLGWMFCFBGR-RQUYWDQNSA-N 0 1 413.955 5.622 40 30 HKEBMN N=C1SC(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(O)=C1c1nccs1 ZINC000033851469 569362489 /nfs/dbraw/zinc/36/24/89/569362489.db2.gz IOVHPFIJGQZEIP-KIMFWDJISA-N 0 1 410.495 5.279 40 30 HKEBMN Cc1cc2nc(-c3cccc(/N=C\c4cc([N+](=O)[O-])cc(C)c4O)c3)oc2c(C)c1 ZINC000033907652 525668373 /nfs/dbraw/zinc/66/83/73/525668373.db2.gz LYQLOBMTSIMPDI-MSXFZWOLSA-N 0 1 401.422 5.784 40 30 HKEBMN Cc1cccc(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3O)cc2)c1 ZINC000034719696 569362461 /nfs/dbraw/zinc/36/24/61/569362461.db2.gz KVWWRXSFHMGTEV-GYDHSEMCSA-N 0 1 406.532 5.448 40 30 HKEBMN N=C1SC(=Cc2ccc(OCc3cccc(F)c3)cc2)C(O)=C1c1nccs1 ZINC000034745453 569362463 /nfs/dbraw/zinc/36/24/63/569362463.db2.gz ZEAQIPLMLYGEAH-KIMFWDJISA-N 0 1 410.495 5.279 40 30 HKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C)c(C)c1 ZINC000034805030 569362447 /nfs/dbraw/zinc/36/24/47/569362447.db2.gz ZIJLSZCERJMCAI-QSXAEAPWSA-N 0 1 407.564 5.585 40 30 HKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)SC2=N)s1 ZINC000035057276 557296491 /nfs/dbraw/zinc/29/64/91/557296491.db2.gz HBYGWQHTQKIKOT-VHRZHEQLSA-N 0 1 422.579 5.234 40 30 HKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c1O ZINC000035183096 525556684 /nfs/dbraw/zinc/55/66/84/525556684.db2.gz QDWGQYVKABJZLW-FSJBWODESA-N 0 1 409.829 5.265 40 30 HKEBMN Cc1cc2nc(-c3cccc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)c3C)oc2c(C)c1 ZINC000035189665 525668558 /nfs/dbraw/zinc/66/85/58/525668558.db2.gz MOWYNZFVNOVSQD-BRJLIKDPSA-N 0 1 415.449 6.093 40 30 HKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1cccc(Cl)c1 ZINC000035316938 557691835 /nfs/dbraw/zinc/69/18/35/557691835.db2.gz JBIBHSTXVBJSKU-ROBRVMHZSA-N 0 1 413.955 5.622 40 30 HKEBMN Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CN(C)CCC#N)C=C3C)o2)cc1 ZINC000035442667 525844691 /nfs/dbraw/zinc/84/46/91/525844691.db2.gz XFNSAVPPCRTJAG-VABKMULXSA-N 0 1 406.574 5.288 40 30 biogenic,in-vitro HKEBMN Cc1cc(Cl)cc(/C=N/c2c(Br)cc(O)cc2Br)c1O ZINC000038162483 568485990 /nfs/dbraw/zinc/48/59/90/568485990.db2.gz IBYNKCAJVKVCKF-NGYBGAFCSA-N 0 1 419.500 5.335 40 30 HKEBMN Cc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O ZINC000038179858 569362609 /nfs/dbraw/zinc/36/26/09/569362609.db2.gz QIQKQPDYZOCWMO-FSJBWODESA-N 0 1 409.829 5.265 40 30 HKEBMN Cc1ccc(-c2nc3cc(/N=C/c4cc([N+](=O)[O-])cc(C)c4O)ccc3o2)cc1C ZINC000038179882 569362649 /nfs/dbraw/zinc/36/26/49/569362649.db2.gz QNSHXPGSPLCDEZ-WYMPLXKRSA-N 0 1 401.422 5.784 40 30 HKEBMN O=[N+]([O-])c1ccccc1CN=Nc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000038195885 527398024 /nfs/dbraw/zinc/39/80/24/527398024.db2.gz BISYORYDYANBMY-QRVIBDJDSA-N 0 1 403.829 5.304 40 30 HKEBMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1cc([N+](=O)[O-])ccc1Cl ZINC000039921294 558686616 /nfs/dbraw/zinc/68/66/16/558686616.db2.gz WFNWNOFWWWTYDA-FQEVSTJZSA-N 0 1 414.914 6.150 40 30 HKEBMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1SC2c1cc([N+](=O)[O-])ccc1Cl ZINC000039921295 558686948 /nfs/dbraw/zinc/68/69/48/558686948.db2.gz WFNWNOFWWWTYDA-HXUWFJFHSA-N 0 1 414.914 6.150 40 30 HKEBMN O=C(/C=C/C1=C(N2CCCCC2)Cc2ccccc21)c1ccc(Br)cc1 ZINC000055120943 527593071 /nfs/dbraw/zinc/59/30/71/527593071.db2.gz NIKOPWGUCFOQIW-OUKQBFOZSA-N 0 1 408.339 5.641 40 30 HKEBMN O=C(/C=C/C1=C(N2CCCCC2)Cc2ccccc21)c1cccc(Br)c1 ZINC000055135325 527593265 /nfs/dbraw/zinc/59/32/65/527593265.db2.gz PIMOWBFFJMQSRP-VAWYXSNFSA-N 0 1 408.339 5.641 40 30 HKEBMN C(=N/c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)\c1cccc2ccccc12 ZINC000057527881 568493520 /nfs/dbraw/zinc/49/35/20/568493520.db2.gz SAWUXKXQWGEGDH-XHLNEMQHSA-N 0 1 405.545 5.913 40 30 HKEBMN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4o3)cc2)c(Cl)c1 ZINC000059034397 568700056 /nfs/dbraw/zinc/70/00/56/568700056.db2.gz DCDRBTMCOUVGIN-WYMPLXKRSA-N 0 1 412.276 6.160 40 30 HKEBMN Clc1ccc(COc2ccc(C=[NH+][N-]c3nc4ccccc4o3)cc2)c(Cl)c1 ZINC000059034397 568700058 /nfs/dbraw/zinc/70/00/58/568700058.db2.gz DCDRBTMCOUVGIN-WYMPLXKRSA-N 0 1 412.276 6.160 40 30 HKEBMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1ccccc1Cl ZINC000059194415 568702562 /nfs/dbraw/zinc/70/25/62/568702562.db2.gz XNOMFGRRTUNSDH-YDZHTSKRSA-N 0 1 407.882 5.615 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1 ZINC000059194424 568702363 /nfs/dbraw/zinc/70/23/63/568702363.db2.gz STYZISBHRBPWRZ-ZMOGYAJESA-N 0 1 421.453 5.109 40 30 HKEBMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1cccc(Cl)c1 ZINC000059194447 568702532 /nfs/dbraw/zinc/70/25/32/568702532.db2.gz CTHXIRDMDBFKSX-YDZHTSKRSA-N 0 1 407.882 5.615 40 30 HKEBMN O=C(Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1)c1cccc(Cl)c1 ZINC000059194447 568702535 /nfs/dbraw/zinc/70/25/35/568702535.db2.gz CTHXIRDMDBFKSX-YDZHTSKRSA-N 0 1 407.882 5.615 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 ZINC000059194464 568702343 /nfs/dbraw/zinc/70/23/43/568702343.db2.gz VBAMVVOOJNMTOA-ZVHZXABRSA-N 0 1 417.490 5.279 40 30 HKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 ZINC000059194464 568702345 /nfs/dbraw/zinc/70/23/45/568702345.db2.gz VBAMVVOOJNMTOA-ZVHZXABRSA-N 0 1 417.490 5.279 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1cccc(C)c1 ZINC000059194467 568702354 /nfs/dbraw/zinc/70/23/54/568702354.db2.gz PGMUDGNMVDHCAA-ZVHZXABRSA-N 0 1 417.490 5.279 40 30 HKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1cccc(C)c1 ZINC000059194467 568702355 /nfs/dbraw/zinc/70/23/55/568702355.db2.gz PGMUDGNMVDHCAA-ZVHZXABRSA-N 0 1 417.490 5.279 40 30 HKEBMN O=C(Oc1ccccc1C=NNc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000059194473 568702555 /nfs/dbraw/zinc/70/25/55/568702555.db2.gz VGCBNMMSLCXLAE-YDZHTSKRSA-N 0 1 407.882 5.615 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1C ZINC000059194500 568702485 /nfs/dbraw/zinc/70/24/85/568702485.db2.gz RLEWMGZJWRGYRL-ZVHZXABRSA-N 0 1 417.490 5.279 40 30 HKEBMN Fc1cccc(Cl)c1COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000059194505 568702409 /nfs/dbraw/zinc/70/24/09/568702409.db2.gz CGXKCPGTLRJWLG-WYMPLXKRSA-N 0 1 411.889 6.114 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1cccc(C)c1 ZINC000059194513 568702314 /nfs/dbraw/zinc/70/23/14/568702314.db2.gz CEMHAXRZURNJNU-ZVHZXABRSA-N 0 1 403.507 5.638 40 30 HKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1cccc(C)c1 ZINC000059194513 568702317 /nfs/dbraw/zinc/70/23/17/568702317.db2.gz CEMHAXRZURNJNU-ZVHZXABRSA-N 0 1 403.507 5.638 40 30 HKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1cccc(C)c1 ZINC000059194516 568702511 /nfs/dbraw/zinc/70/25/11/568702511.db2.gz GBTOPZDPJUWADO-MFKUBSTISA-N 0 1 417.534 6.028 40 30 HKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1cccc(C)c1 ZINC000059194516 568702515 /nfs/dbraw/zinc/70/25/15/568702515.db2.gz GBTOPZDPJUWADO-MFKUBSTISA-N 0 1 417.534 6.028 40 30 HKEBMN Clc1ccc(COc2ccc(CN=Nc3nc4ccccc4[nH]3)cc2)cc1Cl ZINC000059417097 568705746 /nfs/dbraw/zinc/70/57/46/568705746.db2.gz TUISNXDKJKMJRZ-WYMPLXKRSA-N 0 1 411.292 5.895 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1F ZINC000059418079 568706025 /nfs/dbraw/zinc/70/60/25/568706025.db2.gz CQDQPWCBDSXYDI-ZMOGYAJESA-N 0 1 407.470 5.469 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc(F)cc1 ZINC000059418080 568706062 /nfs/dbraw/zinc/70/60/62/568706062.db2.gz IDGBPADROMWJAW-ZMOGYAJESA-N 0 1 407.470 5.469 40 30 HKEBMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 ZINC000059418080 568706065 /nfs/dbraw/zinc/70/60/65/568706065.db2.gz IDGBPADROMWJAW-ZMOGYAJESA-N 0 1 407.470 5.469 40 30 HKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccc(F)cc1 ZINC000059418081 568705941 /nfs/dbraw/zinc/70/59/41/568705941.db2.gz HDQMZPXCCWKUBM-AFUMVMLFSA-N 0 1 421.497 5.859 40 30 HKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 ZINC000059418081 568705944 /nfs/dbraw/zinc/70/59/44/568705944.db2.gz HDQMZPXCCWKUBM-AFUMVMLFSA-N 0 1 421.497 5.859 40 30 HKEBMN COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OCc1ccc(Cl)cc1 ZINC000059418082 568705933 /nfs/dbraw/zinc/70/59/33/568705933.db2.gz KMBKIKFZRYMUFY-ZMOGYAJESA-N 0 1 423.925 5.983 40 30 HKEBMN COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1 ZINC000059418082 568705935 /nfs/dbraw/zinc/70/59/35/568705935.db2.gz KMBKIKFZRYMUFY-ZMOGYAJESA-N 0 1 423.925 5.983 40 30 HKEBMN Oc1c(Cl)cccc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459251 568704277 /nfs/dbraw/zinc/70/42/77/568704277.db2.gz CAYQLJQWAZLNMQ-RPPGKUMJSA-N 0 1 405.803 6.394 40 30 HKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000059475485 568707268 /nfs/dbraw/zinc/70/72/68/568707268.db2.gz RASOMLSZESPKLY-YSURURNPSA-N 0 1 419.230 5.305 40 30 HKEBMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000059483152 568707635 /nfs/dbraw/zinc/70/76/35/568707635.db2.gz BIMVMQGFFZGDJF-DHRITJCHSA-N 0 1 408.288 6.302 40 30 HKEBMN Cc1ccc(-c2nc(N=NCc3ccc(N(C)C)cc3)sc2-c2ccccc2)cc1 ZINC000059484290 568707807 /nfs/dbraw/zinc/70/78/07/568707807.db2.gz QZRDPVIIHHOOLY-YZSQISJMSA-N 0 1 412.562 6.298 40 30 HKEBMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OCc1ccccc1Cl ZINC000059502375 568708673 /nfs/dbraw/zinc/70/86/73/568708673.db2.gz KTOZZYWPCHIXQD-ZMOGYAJESA-N 0 1 423.925 5.983 40 30 HKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)c1ccccc1 ZINC000059514490 568708750 /nfs/dbraw/zinc/70/87/50/568708750.db2.gz RSDSKJYWJRGONM-BUVRLJJBSA-N 0 1 417.490 5.360 40 30 HKEBMN CCOc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)c1ccccc1 ZINC000059514490 568708753 /nfs/dbraw/zinc/70/87/53/568708753.db2.gz RSDSKJYWJRGONM-BUVRLJJBSA-N 0 1 417.490 5.360 40 30 HKEBMN CCCCCCCCCCCCCCCCc1c(C(=O)OC)nc(NC#N)[nH]c1=O ZINC000073280148 571306806 /nfs/dbraw/zinc/30/68/06/571306806.db2.gz ZHBSMQLSYFSJDE-UHFFFAOYSA-N 0 1 418.582 5.886 40 30 HKEBMN COc1cccc(C=NNc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1O ZINC000083295844 558833307 /nfs/dbraw/zinc/83/33/07/558833307.db2.gz CMDIFHILGNCBOO-CFRMEGHHSA-N 0 1 404.857 5.110 40 30 HKEBMN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000083312019 558833633 /nfs/dbraw/zinc/83/36/33/558833633.db2.gz PYMLYFWENVBIBZ-CFRMEGHHSA-N 0 1 404.857 5.697 40 30 HKEBMN CCCCCCCCN1C(=O)c2n[nH]c(-c3ccc(Cl)cc3)c2[C@H]1c1ccccc1 ZINC000098008947 568940296 /nfs/dbraw/zinc/94/02/96/568940296.db2.gz MQHGAGMPMHQQAN-XMMPIXPASA-N 0 1 421.972 6.636 40 30 HKEBMN CCCCCCCCN1C(=O)c2n[nH]c(-c3ccc(Cl)cc3)c2[C@@H]1c1ccccc1 ZINC000098008948 568940346 /nfs/dbraw/zinc/94/03/46/568940346.db2.gz MQHGAGMPMHQQAN-DEOSSOPVSA-N 0 1 421.972 6.636 40 30 HKEBMN CCCCCCCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@H]1c1ccccc1 ZINC000098008949 568940312 /nfs/dbraw/zinc/94/03/12/568940312.db2.gz JOGZSNJPAGKFGP-RUZDIDTESA-N 0 1 417.553 5.991 40 30 HKEBMN CCCCCCCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@@H]1c1ccccc1 ZINC000098008950 568940287 /nfs/dbraw/zinc/94/02/87/568940287.db2.gz JOGZSNJPAGKFGP-VWLOTQADSA-N 0 1 417.553 5.991 40 30 HKEBMN CCOc1cc(C=Nc2nnc[nH]2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000100231652 559132623 /nfs/dbraw/zinc/13/26/23/559132623.db2.gz YXKRWTGAHRFNBV-WYMPLXKRSA-N 0 1 406.873 5.340 40 30 HKEBMN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C\c1cc([N+](=O)[O-])cc(C)c1O ZINC000100552337 560725266 /nfs/dbraw/zinc/72/52/66/560725266.db2.gz OHKYACABFVEKIS-MYKKPKGFSA-N 0 1 421.840 6.129 40 30 HKEBMN O=C(Nc1ccc(Cl)cc1)C(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000100891683 569050239 /nfs/dbraw/zinc/05/02/39/569050239.db2.gz LGCAZVVSQCVFBA-LGUFXXKBSA-N 0 1 412.276 5.283 40 30 HKEBMN CCCCCCCCCCCC(=O)c1c2sc(=O)oc2c2ccccc2c1O ZINC000100987630 559142491 /nfs/dbraw/zinc/14/24/91/559142491.db2.gz GVANTWOIPNVDCO-UHFFFAOYSA-N 0 1 400.540 6.817 40 30 HKEBMN C=CCOc1c(Cl)cc(Cc2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)cc1OC ZINC000101651385 569015238 /nfs/dbraw/zinc/01/52/38/569015238.db2.gz KAENCRJCWMNLPC-KRWDZBQOSA-N 0 1 419.308 5.148 40 30 HKEBMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(Br)cc1F ZINC000102422543 559150385 /nfs/dbraw/zinc/15/03/85/559150385.db2.gz WGRFKLYYDRLSHG-NGYBGAFCSA-N 0 1 407.464 5.460 40 30 HKEBMN Oc1c(Cl)cc(Cl)cc1/C=N\c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000102866734 559153312 /nfs/dbraw/zinc/15/33/12/559153312.db2.gz ZMCZPWGPJQTNER-VROXFSQNSA-N 0 1 417.679 6.911 40 30 HKEBMN CCOC(=O)c1ccc(/N=C/c2ccc(/N=N/c3ccc(OC)cc3)cc2O)cc1 ZINC000102943784 569042152 /nfs/dbraw/zinc/04/21/52/569042152.db2.gz SZACMQIWCVGBKZ-WBHRPZRPSA-N 0 1 403.438 5.744 40 30 HKEBMN Cc1cc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)c(C)n1-c1ccccc1 ZINC000102945289 569042201 /nfs/dbraw/zinc/04/22/01/569042201.db2.gz LNMCGFWHRDQMFB-JVWAILMASA-N 0 1 423.541 6.827 40 30 HKEBMN Cc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000102958589 559153757 /nfs/dbraw/zinc/15/37/57/559153757.db2.gz IMEZYAPHVFZHTJ-AGHKFTSRSA-N 0 1 415.518 5.160 40 30 HKEBMN Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000102958591 559153803 /nfs/dbraw/zinc/15/38/03/559153803.db2.gz IMEZYAPHVFZHTJ-VHAJSEAWSA-N 0 1 415.518 5.160 40 30 HKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cccc3cccnc23)cc1 ZINC000104104018 559158044 /nfs/dbraw/zinc/15/80/44/559158044.db2.gz GNISQFJOLLZECU-XYGWBWBKSA-N 0 1 401.491 5.095 40 30 HKEBMN O=S(=O)(Nc1cc(Cl)c(Cl)cc1/N=C\c1ccccc1O)c1ccccc1 ZINC000104116030 559158186 /nfs/dbraw/zinc/15/81/86/559158186.db2.gz AMDDEZSSUXJEKF-UUYOSTAYSA-N 0 1 421.305 5.250 40 30 HKEBMN Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc2c(ccc3c4ccccc4ccc23)c1 ZINC000104220480 559159158 /nfs/dbraw/zinc/15/91/58/559159158.db2.gz AXZFIFAFQZAUAT-MUXKCCDJSA-N 0 1 416.307 7.909 40 30 HKEBMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2cccc3ccccc23)cc1 ZINC000104223045 559159247 /nfs/dbraw/zinc/15/92/47/559159247.db2.gz ARCXFJATZIPTEF-UQQQWYQISA-N 0 1 400.503 5.700 40 30 HKEBMN O=C1c2ccccc2C(=O)C1C(=Nc1ccccc1Br)c1ccccc1 ZINC000104223495 559159239 /nfs/dbraw/zinc/15/92/39/559159239.db2.gz AJRVZPMNWRJKBK-HIXSDJFHSA-N 0 1 404.263 5.265 40 30 HKEBMN O=C1c2ccccc2C(=O)C1C(=Nc1ccccc1Br)c1ccccc1 ZINC000104223500 559159188 /nfs/dbraw/zinc/15/91/88/559159188.db2.gz AJRVZPMNWRJKBK-GFMRDNFCSA-N 0 1 404.263 5.265 40 30 HKEBMN CCc1nnc(C2=C(O)C(=Cc3ccccc3OCc3ccccc3)SC2=N)s1 ZINC000107635049 569362824 /nfs/dbraw/zinc/36/28/24/569362824.db2.gz IBNZORNCZRWCBU-NCNVOFJUSA-N 0 1 421.547 5.097 40 30 HKEBMN CCCCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc12 ZINC000107682029 569362848 /nfs/dbraw/zinc/36/28/48/569362848.db2.gz CRPYFEOMDWOCSI-HCHWOYOMSA-N 0 1 408.548 5.893 40 30 HKEBMN CCc1nnc(C2=C(O)C(=Cc3ccc4[nH]c5ccccc5c4c3)SC2=N)s1 ZINC000107929376 569362840 /nfs/dbraw/zinc/36/28/40/569362840.db2.gz UHRQLQNPXIKOCP-XLZGVGHGSA-N 0 1 404.520 5.153 40 30 HKEBMN CC(C)(C)c1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(C(C)(C)C)c1O ZINC000108109355 569362830 /nfs/dbraw/zinc/36/28/30/569362830.db2.gz BCZBBFAKFUJDKM-NHMSSAOCSA-N 0 1 414.596 5.862 40 30 HKEBMN CC(C)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc12 ZINC000108971575 569362943 /nfs/dbraw/zinc/36/29/43/569362943.db2.gz MFGHDKMUPMKQFO-QSXAEAPWSA-N 0 1 408.548 5.749 40 30 HKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1 ZINC000109044523 569362956 /nfs/dbraw/zinc/36/29/56/569362956.db2.gz RJBJVQJIDXNFJB-GYDHSEMCSA-N 0 1 422.531 5.149 40 30 HKEBMN Cc1cccc(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1O ZINC000109503001 569362975 /nfs/dbraw/zinc/36/29/75/569362975.db2.gz AGDSMUOVIPSLDD-FOKLQQMPSA-N 0 1 423.266 5.728 40 30 HKEBMN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 ZINC000109503030 569362968 /nfs/dbraw/zinc/36/29/68/569362968.db2.gz LQADDVQEOYLGSP-FOKLQQMPSA-N 0 1 423.266 5.728 40 30 HKEBMN CC(C)COc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc12 ZINC000135949833 559288775 /nfs/dbraw/zinc/28/87/75/559288775.db2.gz MFGHDKMUPMKQFO-ADYJVVQCSA-N 0 1 408.548 5.749 40 30 HKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(C)c(C)c1 ZINC000136337526 559290018 /nfs/dbraw/zinc/29/00/18/559290018.db2.gz ZIJLSZCERJMCAI-ADYJVVQCSA-N 0 1 407.564 5.585 40 30 HKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1cccc(C)c1C ZINC000136374532 559289931 /nfs/dbraw/zinc/28/99/31/559289931.db2.gz AEOKCTQOWZOWJU-ADYJVVQCSA-N 0 1 407.564 5.585 40 30 HKEBMN COc1cc(C=C2SC(=N)C(c3nccs3)=C2O)ccc1OCc1ccccc1 ZINC000136587466 559290210 /nfs/dbraw/zinc/29/02/10/559290210.db2.gz RJBJVQJIDXNFJB-LIKCCPTGSA-N 0 1 422.531 5.149 40 30 HKEBMN CCc1nnc(C2=C(O)C(=Cc3ccc4[nH]c5ccccc5c4c3)SC2=N)s1 ZINC000136605816 559290279 /nfs/dbraw/zinc/29/02/79/559290279.db2.gz UHRQLQNPXIKOCP-KLCTXMKJSA-N 0 1 404.520 5.153 40 30 HKEBMN CCOc1ccc(C=C2SC(=N)C(c3nnc(CC)s3)=C2O)c2ccccc12 ZINC000136797285 559290436 /nfs/dbraw/zinc/29/04/36/559290436.db2.gz PPMIFVWXGLCXHF-NHEOGQCNSA-N 0 1 409.536 5.070 40 30 HKEBMN CCCOc1ccc2ccccc2c1C=C1SC(=N)C(c2nnc(CC)s2)=C1O ZINC000136803032 559290468 /nfs/dbraw/zinc/29/04/68/559290468.db2.gz WWVHKLBISOKRDG-NCNVOFJUSA-N 0 1 423.563 5.460 40 30 HKEBMN N=C1SC(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(O)=C1c1nccs1 ZINC000137177721 559291071 /nfs/dbraw/zinc/29/10/71/559291071.db2.gz IOVHPFIJGQZEIP-VGQPPMBJSA-N 0 1 410.495 5.279 40 30 HKEBMN CCc1nnc(C2=C(O)C(=Cc3c4ccccc4cc4ccccc43)SC2=N)s1 ZINC000137427421 559292354 /nfs/dbraw/zinc/29/23/54/559292354.db2.gz IWVICFUTMGXZKU-GHWCWRRZSA-N 0 1 415.543 5.825 40 30 HKEBMN CC(C)(C)c1cc(C=C2SC(=N)C(c3nccs3)=C2O)cc(C(C)(C)C)c1O ZINC000137483047 559292532 /nfs/dbraw/zinc/29/25/32/559292532.db2.gz BCZBBFAKFUJDKM-BMKWKBSDSA-N 0 1 414.596 5.862 40 30 HKEBMN N=C1SC(=Cc2cn(Cc3ccccc3)c3ccccc23)C(O)=C1c1nccs1 ZINC000137486604 559292511 /nfs/dbraw/zinc/29/25/11/559292511.db2.gz TWHRGUHWSPEATI-GQNWJCCQSA-N 0 1 415.543 5.564 40 30 HKEBMN Cc1cccc(COc2ccc(C=C3SC(=N)C(c4nccs4)=C3O)cc2)c1 ZINC000137561849 569363101 /nfs/dbraw/zinc/36/31/01/569363101.db2.gz KVWWRXSFHMGTEV-LIKCCPTGSA-N 0 1 406.532 5.448 40 30 HKEBMN N#Cc1ccccc1COc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)cc1 ZINC000137671668 569363114 /nfs/dbraw/zinc/36/31/14/569363114.db2.gz IQSPAHVOYXEXEY-YEWWOHFJSA-N 0 1 417.515 5.012 40 30 HKEBMN N=C1SC(=Cc2ccc(OCc3cccc(F)c3)cc2)C(O)=C1c1nccs1 ZINC000137892840 569363086 /nfs/dbraw/zinc/36/30/86/569363086.db2.gz ZEAQIPLMLYGEAH-VGQPPMBJSA-N 0 1 410.495 5.279 40 30 HKEBMN CCc1nnc(C2=C(O)C(=Cc3ccccc3OCc3ccccc3)SC2=N)s1 ZINC000138048569 569363094 /nfs/dbraw/zinc/36/30/94/569363094.db2.gz IBNZORNCZRWCBU-NQDHANQRSA-N 0 1 421.547 5.097 40 30 HKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1ccc(Cl)cc1 ZINC000138209460 569363075 /nfs/dbraw/zinc/36/30/75/569363075.db2.gz HRKLLGWMFCFBGR-GRXGRPPOSA-N 0 1 413.955 5.622 40 30 HKEBMN CCCCOc1ccc(C=C2SC(=N)C(c3nccs3)=C2O)c2ccccc12 ZINC000138292120 569363109 /nfs/dbraw/zinc/36/31/09/569363109.db2.gz CRPYFEOMDWOCSI-UUFRBJCLSA-N 0 1 408.548 5.893 40 30 HKEBMN CCc1nnc(C2=C(O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)SC2=N)s1 ZINC000138800254 569363056 /nfs/dbraw/zinc/36/30/56/569363056.db2.gz HBYGWQHTQKIKOT-RDJLIJHTSA-N 0 1 422.579 5.234 40 30 HKEBMN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1cccc(Cl)c1 ZINC000139238415 569363099 /nfs/dbraw/zinc/36/30/99/569363099.db2.gz JBIBHSTXVBJSKU-LTDHIUBMSA-N 0 1 413.955 5.622 40 30 HKEBMN CCN1c2cc(C)c(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C(C)=CC1(C)C ZINC000208510632 568446858 /nfs/dbraw/zinc/44/68/58/568446858.db2.gz BWHJNEPTMFNGST-YDZHTSKRSA-N 0 1 423.473 5.279 40 30 HKEBMN CC1=CC(C)(C)N(C(C)C)c2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 ZINC000223474784 568549853 /nfs/dbraw/zinc/54/98/53/568549853.db2.gz KZFMJIDJUXSUEF-YDZHTSKRSA-N 0 1 423.473 5.359 40 30 HKEBMN CCN1c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C ZINC000223527196 568550907 /nfs/dbraw/zinc/55/09/07/568550907.db2.gz RKPYQYSFEJCKFZ-KOUDTOEKSA-N 0 1 411.462 5.061 40 30 HKEBMN C#CCOC(=O)c1cc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c(Br)c1 ZINC000226344700 559273462 /nfs/dbraw/zinc/27/34/62/559273462.db2.gz BTMXRGPLFDLCEE-UHFFFAOYSA-N 0 1 424.081 5.089 40 30 HKEBMN C#CCOC(=O)c1cc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c(Br)c1 ZINC000226344854 559273484 /nfs/dbraw/zinc/27/34/84/559273484.db2.gz QUJLLDGFMXTHNW-UHFFFAOYSA-N 0 1 424.081 5.089 40 30 HKEBMN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1cc([N+](=O)[O-])cc(C)c1O ZINC000245232048 569370294 /nfs/dbraw/zinc/37/02/94/569370294.db2.gz OHKYACABFVEKIS-UHFFFAOYSA-N 0 1 421.840 6.129 40 30 HKEBMN C=C[C@]1(C)C[C@]23C[C@H]([C@@H](OC(=O)c4ccccc4)c4ccnc5ccccc54)[N@H+]2CC[C@H]31 ZINC000253676191 569374555 /nfs/dbraw/zinc/37/45/55/569374555.db2.gz AUSOAUVQJQLTDO-MEQPPVNMSA-N 0 1 424.544 5.562 40 30 HKEBMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000254305321 569374861 /nfs/dbraw/zinc/37/48/61/569374861.db2.gz MNAVICLDNOSQGO-UHFFFAOYSA-N 0 1 416.506 5.077 40 30 HKEBMN CC(C)(C)c1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(F)(F)F)cc1 ZINC000254331502 519008424 /nfs/dbraw/zinc/00/84/24/519008424.db2.gz ZUBNTFPDHJZUIE-UHFFFAOYSA-N 0 1 404.461 5.806 40 30 HKEBMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000254350404 569374854 /nfs/dbraw/zinc/37/48/54/569374854.db2.gz LHLQETWCXXHETK-UHFFFAOYSA-N 0 1 416.506 5.077 40 30 HKEBMN CCc1ccc2oc(-c3cc(N=Cc4cc5c(cc4Cl)OCO5)ccc3O)nc2c1 ZINC000254506342 569374788 /nfs/dbraw/zinc/37/47/88/569374788.db2.gz XACKNEHPNGSHBS-UHFFFAOYSA-N 0 1 420.852 5.896 40 30 HKEBMN Cc1[nH]n(-c2ccc(C)c(Cl)c2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000408535955 558477439 /nfs/dbraw/zinc/47/74/39/558477439.db2.gz UVCRLACVSPTCEC-BOPFTXTBSA-N 0 1 410.930 5.179 40 30 HKEBMN CCOc1cc(COc2ccc(Cl)cc2/C=N\O)ccc1OCc1ccccc1 ZINC000408540252 558488591 /nfs/dbraw/zinc/48/85/91/558488591.db2.gz PEOOGUADXJFKOU-QFEZKATASA-N 0 1 411.885 5.705 40 30 HKEBMN COc1cc(C=C2CCCCC(C(=O)C(F)(F)F)C2=O)cc(Br)c1O ZINC000408562937 558505599 /nfs/dbraw/zinc/50/55/99/558505599.db2.gz GUUNKITYYMEOIE-FAIWILQLSA-N 0 1 421.209 5.064 40 30 HKEBMN CCOc1cc(C=C2CCCC(C(=O)C(F)(F)F)C2=O)cc(Br)c1O ZINC000408564179 557470980 /nfs/dbraw/zinc/47/09/80/557470980.db2.gz VUXOZAGKEHWYEH-FAIWILQLSA-N 0 1 421.209 5.064 40 30 HKEBMN Cc1c(C=NNc2nc3ccccc3s2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000408586412 558518949 /nfs/dbraw/zinc/51/89/49/558518949.db2.gz BTOPDFWYFVRMRS-VULFUBBASA-N 0 1 414.509 6.193 40 30 HKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408586877 557493240 /nfs/dbraw/zinc/49/32/40/557493240.db2.gz CVEOAXMLCBVLQA-FOKLQQMPSA-N 0 1 415.349 6.457 40 30 HKEBMN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NNc2nc3ccccc3s2)c1C ZINC000408587783 558519481 /nfs/dbraw/zinc/51/94/81/558519481.db2.gz HIENTWQKOKEKCI-WSDLNYQXSA-N 0 1 421.482 5.067 40 30 HKEBMN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=[NH+][N-]c2nc3ccccc3s2)c1C ZINC000408587783 558519482 /nfs/dbraw/zinc/51/94/82/558519482.db2.gz HIENTWQKOKEKCI-WSDLNYQXSA-N 0 1 421.482 5.067 40 30 HKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000408588130 558521350 /nfs/dbraw/zinc/52/13/50/558521350.db2.gz IAJQLAYPFQCYCT-WSDLNYQXSA-N 0 1 405.483 5.366 40 30 HKEBMN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000408588130 558521351 /nfs/dbraw/zinc/52/13/51/558521351.db2.gz IAJQLAYPFQCYCT-WSDLNYQXSA-N 0 1 405.483 5.366 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000408588203 558521956 /nfs/dbraw/zinc/52/19/56/558521956.db2.gz IHPPMQMMMKBLOI-WSDLNYQXSA-N 0 1 408.303 5.179 40 30 HKEBMN COc1ccc(Cl)cc1-n1c(C)cc(C=NNc2nc3ccccc3s2)c1C ZINC000408588288 558522238 /nfs/dbraw/zinc/52/22/38/558522238.db2.gz IUTPBKQSUSDISD-FSJBWODESA-N 0 1 410.930 5.812 40 30 HKEBMN COc1ccc(Cl)cc1-n1c(C)cc(C=[NH+][N-]c2nc3ccccc3s2)c1C ZINC000408588288 558522242 /nfs/dbraw/zinc/52/22/42/558522242.db2.gz IUTPBKQSUSDISD-FSJBWODESA-N 0 1 410.930 5.812 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1ccccc1Br ZINC000408589681 558528702 /nfs/dbraw/zinc/52/87/02/558528702.db2.gz MTFPSEAWGCVEJL-WSDLNYQXSA-N 0 1 408.303 5.179 40 30 HKEBMN CCOC(=O)c1ccccc1-n1c(C)cc(C=NNc2nc3ccccc3s2)c1C ZINC000408589917 558528802 /nfs/dbraw/zinc/52/88/02/558528802.db2.gz NMKXSCPKZKJCPT-ZVHZXABRSA-N 0 1 418.522 5.327 40 30 HKEBMN CCOC(=O)c1ccccc1-n1c(C)cc(C=[NH+][N-]c2nc3ccccc3s2)c1C ZINC000408589917 558528804 /nfs/dbraw/zinc/52/88/04/558528804.db2.gz NMKXSCPKZKJCPT-ZVHZXABRSA-N 0 1 418.522 5.327 40 30 HKEBMN Cc1cc(C=NNc2nc3ccccc3s2)c(C)n1-c1cccc(Cl)c1Cl ZINC000408590214 558529019 /nfs/dbraw/zinc/52/90/19/558529019.db2.gz OCQKSKOVUMLBKQ-FOKLQQMPSA-N 0 1 415.349 6.457 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1cccc(Br)c1 ZINC000408591539 558525303 /nfs/dbraw/zinc/52/53/03/558525303.db2.gz USVGBMRVUUIWHG-WSDLNYQXSA-N 0 1 408.303 5.179 40 30 HKEBMN CCOC(=O)c1cccc(-n2c(C)cc(C=NNc3nc4ccccc4s3)c2C)c1 ZINC000408592353 558528050 /nfs/dbraw/zinc/52/80/50/558528050.db2.gz XVUJZWKAXFVKRB-ZVHZXABRSA-N 0 1 418.522 5.327 40 30 HKEBMN CCOC(=O)c1cccc(-n2c(C)cc(C=[NH+][N-]c3nc4ccccc4s3)c2C)c1 ZINC000408592353 558528051 /nfs/dbraw/zinc/52/80/51/558528051.db2.gz XVUJZWKAXFVKRB-ZVHZXABRSA-N 0 1 418.522 5.327 40 30 HKEBMN CC(C)COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1Br ZINC000408604102 558538837 /nfs/dbraw/zinc/53/88/37/558538837.db2.gz SMDDPOICXRGNEP-KEBDBYFISA-N 0 1 404.333 5.540 40 30 HKEBMN CC(C)COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1Br ZINC000408604102 558538838 /nfs/dbraw/zinc/53/88/38/558538838.db2.gz SMDDPOICXRGNEP-KEBDBYFISA-N 0 1 404.333 5.540 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1cccc(Br)c1 ZINC000408645737 558547890 /nfs/dbraw/zinc/54/78/90/558547890.db2.gz ANXYJCCORDPXJA-YDZHTSKRSA-N 0 1 422.330 5.189 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408646280 558549316 /nfs/dbraw/zinc/54/93/16/558549316.db2.gz ASIYNYFIWLQCGV-WYMPLXKRSA-N 0 1 412.324 5.734 40 30 HKEBMN COc1cc(CN=Nc2nc3ccccc3n2C)ccc1OCc1ccccc1Cl ZINC000408647946 557626371 /nfs/dbraw/zinc/62/63/71/557626371.db2.gz BZQQNNCTNZJPSZ-AFUMVMLFSA-N 0 1 420.900 5.260 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3n2C)c(C)n1-c1ccccc1Br ZINC000408653580 557635357 /nfs/dbraw/zinc/63/53/57/557635357.db2.gz JMEBQIMQCPFBSW-YDZHTSKRSA-N 0 1 422.330 5.189 40 30 HKEBMN CCOC(=O)c1cc(-c2ccc(C=N[N-]c3[nH+]c4ccccc4n3C)o2)ccc1Cl ZINC000408656335 557639415 /nfs/dbraw/zinc/63/94/15/557639415.db2.gz LYYSQXSVEFHNSR-ZMOGYAJESA-N 0 1 422.872 5.109 40 30 HKEBMN COc1ccc(Cl)cc1-n1c(C)cc(C=NN=c2[nH]c3ccccc3n2C)c1C ZINC000408657888 557641187 /nfs/dbraw/zinc/64/11/87/557641187.db2.gz NSTZGXKLLCJJLT-ZMOGYAJESA-N 0 1 407.905 5.089 40 30 HKEBMN Cn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408670812 558560972 /nfs/dbraw/zinc/56/09/72/558560972.db2.gz YJNUAAXANBZZBU-VULFUBBASA-N 0 1 413.912 5.676 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cccc3ccccc32)c1C ZINC000408691977 558564998 /nfs/dbraw/zinc/56/49/98/558564998.db2.gz AHNHDKQKDVPTBL-WPWMEQJKSA-N 0 1 407.521 6.063 40 30 HKEBMN CCn1c2ccccc2nc1[N-][NH+]=Cc1cc(C)n(-c2cccc3ccccc32)c1C ZINC000408691977 558565001 /nfs/dbraw/zinc/56/50/01/558565001.db2.gz AHNHDKQKDVPTBL-WPWMEQJKSA-N 0 1 407.521 6.063 40 30 HKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408692007 558565038 /nfs/dbraw/zinc/56/50/38/558565038.db2.gz BEHMKHQMNFYUMU-WSDLNYQXSA-N 0 1 409.833 5.324 40 30 HKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(Cl)c(C(=O)OC)c2)o1 ZINC000408692037 558565021 /nfs/dbraw/zinc/56/50/21/558565021.db2.gz BVOQZIFTSVXYCU-ZMOGYAJESA-N 0 1 422.872 5.202 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1ccccc1OCc1cccc(Cl)c1 ZINC000408692074 558565006 /nfs/dbraw/zinc/56/50/06/558565006.db2.gz CUTGYLBTWFTRCA-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1cccc(Cl)c1 ZINC000408692074 558565008 /nfs/dbraw/zinc/56/50/08/558565008.db2.gz CUTGYLBTWFTRCA-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1ccccc1OCc1ccccc1Cl ZINC000408692113 558564965 /nfs/dbraw/zinc/56/49/65/558564965.db2.gz DRVNTYJSHQYVFM-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccccc1Cl ZINC000408692113 558564966 /nfs/dbraw/zinc/56/49/66/558564966.db2.gz DRVNTYJSHQYVFM-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cc([N+](=O)[O-])ccc2C)c1C ZINC000408692162 558565043 /nfs/dbraw/zinc/56/50/43/558565043.db2.gz FXOAXJDDVRVHLH-ZVHZXABRSA-N 0 1 416.485 5.126 40 30 HKEBMN CCOc1ccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4n3CC)c2C)cc1 ZINC000408692197 558565014 /nfs/dbraw/zinc/56/50/14/558565014.db2.gz GVRMGZWIPPXAIA-PCLIKHOPSA-N 0 1 401.514 5.308 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000408692235 558565187 /nfs/dbraw/zinc/56/51/87/558565187.db2.gz IAQGAMZPASOTEZ-AFUMVMLFSA-N 0 1 405.933 5.872 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408692242 558565267 /nfs/dbraw/zinc/56/52/67/558565267.db2.gz IESKKAGXQNWION-PCLIKHOPSA-N 0 1 400.482 5.090 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408692308 558565400 /nfs/dbraw/zinc/56/54/00/558565400.db2.gz JNEFSDHOPIWRNN-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2nc1NN=Cc1ccc(OCc2cccc3ccccc32)cc1 ZINC000408692316 558565474 /nfs/dbraw/zinc/56/54/74/558565474.db2.gz JQRNQIBOYXGSHT-MTDXEUNCSA-N 0 1 420.516 6.234 40 30 HKEBMN CCn1c2ccccc2nc1NN=Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000408692356 558565410 /nfs/dbraw/zinc/56/54/10/558565410.db2.gz KQDYKKGGYUGDTG-MFKUBSTISA-N 0 1 410.481 5.256 40 30 HKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408692409 558565684 /nfs/dbraw/zinc/56/56/84/558565684.db2.gz LXXVUPSPIDAPSQ-WSDLNYQXSA-N 0 1 409.833 5.324 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1cccc2ccccc21 ZINC000408692440 558565827 /nfs/dbraw/zinc/56/58/27/558565827.db2.gz MOBWYLFWRYWQLH-MTDXEUNCSA-N 0 1 420.516 6.234 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1ccccc1OCc1cccc2ccccc21 ZINC000408692440 558565829 /nfs/dbraw/zinc/56/58/29/558565829.db2.gz MOBWYLFWRYWQLH-MTDXEUNCSA-N 0 1 420.516 6.234 40 30 HKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000408692493 558565943 /nfs/dbraw/zinc/56/59/43/558565943.db2.gz NRWSYJPRJGBIJE-LPYMAVHISA-N 0 1 409.287 5.525 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408692538 558565971 /nfs/dbraw/zinc/56/59/71/558565971.db2.gz OQHIZMGRWINLHY-JFLMPSFJSA-N 0 1 411.484 5.644 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000408692541 558565917 /nfs/dbraw/zinc/56/59/17/558565917.db2.gz OVUXSCMFTLXMRN-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000408692541 558565920 /nfs/dbraw/zinc/56/59/20/558565920.db2.gz OVUXSCMFTLXMRN-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408692546 558565847 /nfs/dbraw/zinc/56/58/47/558565847.db2.gz OYPGNUKAKIXZBA-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408692555 558565836 /nfs/dbraw/zinc/56/58/36/558565836.db2.gz PFXNMLRTXLQQLL-WSDLNYQXSA-N 0 1 409.833 5.324 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000408692593 558565820 /nfs/dbraw/zinc/56/58/20/558565820.db2.gz QFAAYJMMDQUYAG-AFUMVMLFSA-N 0 1 421.932 5.572 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000408692617 558565938 /nfs/dbraw/zinc/56/59/38/558565938.db2.gz QSLKHYNMAXDYFG-JVWAILMASA-N 0 1 407.521 5.814 40 30 HKEBMN CCOc1cc(CN=Nc2nc3ccccc3n2CC)ccc1OCc1ccccc1 ZINC000408692689 558565842 /nfs/dbraw/zinc/56/58/42/558565842.db2.gz SESMFTIHWRUGQD-YZSQISJMSA-N 0 1 414.509 5.480 40 30 HKEBMN CCn1c2ccccc2nc1NN=Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000408692712 558565930 /nfs/dbraw/zinc/56/59/30/558565930.db2.gz SPJGADUVOOGDHQ-BUVRLJJBSA-N 0 1 412.522 5.416 40 30 HKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(C)c(Br)c2)o1 ZINC000408692713 558565900 /nfs/dbraw/zinc/56/59/00/558565900.db2.gz SPQMUTMSLLVZRH-YDZHTSKRSA-N 0 1 423.314 5.833 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccccc2C#N)c2ccccc12 ZINC000408692775 558565866 /nfs/dbraw/zinc/56/58/66/558565866.db2.gz VBPBRDYFNNQRRF-LQKURTRISA-N 0 1 418.504 5.377 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000408692843 558565907 /nfs/dbraw/zinc/56/59/07/558565907.db2.gz WRNPKGFVKHXPCO-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1cccc(OCc2cccc3ccccc32)c1 ZINC000408692879 558565924 /nfs/dbraw/zinc/56/59/24/558565924.db2.gz XMTFSNCQFFOYGR-MTDXEUNCSA-N 0 1 420.516 6.234 40 30 HKEBMN CCn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408692893 558565912 /nfs/dbraw/zinc/56/59/12/558565912.db2.gz XTVIGOCYOHEIJD-WSDLNYQXSA-N 0 1 409.833 5.324 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000408692895 558565860 /nfs/dbraw/zinc/56/58/60/558565860.db2.gz XUNJHGFMEXIXHN-JVWAILMASA-N 0 1 407.521 5.814 40 30 HKEBMN CCn1c2ccccc2nc1N=NCc1cccc(OCc2ccccc2Cl)c1 ZINC000408692906 558565979 /nfs/dbraw/zinc/56/59/79/558565979.db2.gz YCPGAHASTTUYFF-MFKUBSTISA-N 0 1 404.901 5.735 40 30 HKEBMN CCn1c2ccccc2[nH]c1=NN=Cc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000408692928 558565893 /nfs/dbraw/zinc/56/58/93/558565893.db2.gz YRSJZXHVACNAGR-AFUMVMLFSA-N 0 1 405.933 5.872 40 30 HKEBMN Cc1cc(/C=N/c2ccc(Cl)c(O)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738977 557804227 /nfs/dbraw/zinc/80/42/27/557804227.db2.gz QSRGQEHSBBUPPD-SSDVNMTOSA-N 0 1 403.707 5.966 40 30 HKEBMN CCOC(=O)c1c(Cl)c(C=[NH+][N-]c2ccccc2)oc1Nc1ccc(Cl)cc1 ZINC000408813996 560645047 /nfs/dbraw/zinc/64/50/47/560645047.db2.gz GLTKEEPCTSMGHE-FMCGGJTJSA-N 0 1 418.280 5.953 40 30 HKEBMN CCOC(=O)c1c(Cl)c(C=[NH+][N-]c2ccccc2)oc1Nc1cccc(Cl)c1 ZINC000408816858 560644516 /nfs/dbraw/zinc/64/45/16/560644516.db2.gz UUHSBNQHEFNMRC-FMCGGJTJSA-N 0 1 418.280 5.953 40 30 HKEBMN CCOC(=O)c1c(Cl)c(C=[NH+][N-]c2ccccn2)oc1Nc1ccc(Cl)cc1 ZINC000408817041 560644525 /nfs/dbraw/zinc/64/45/25/560644525.db2.gz KNYMAINRUBWEES-KSEXSDGBSA-N 0 1 419.268 5.348 40 30 HKEBMN CCOC(=O)c1c(Cl)c(C=[NH+][N-]c2ccccn2)oc1Nc1cccc(Cl)c1 ZINC000408819663 560645408 /nfs/dbraw/zinc/64/54/08/560645408.db2.gz QXRYDCYJCOYPQC-KSEXSDGBSA-N 0 1 419.268 5.348 40 30 HKEBMN CCOc1cc(C=NN=c2[nH]c3ccccc3s2)cc(Br)c1OCC ZINC000408867260 560648591 /nfs/dbraw/zinc/64/85/91/560648591.db2.gz LBGRZPBAUYVSED-RGVLZGJSSA-N 0 1 420.332 5.302 40 30 HKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408910056 558732029 /nfs/dbraw/zinc/73/20/29/558732029.db2.gz IXMYGHQFKMTZCN-YZSQISJMSA-N 0 1 410.477 6.115 40 30 HKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408910087 558732056 /nfs/dbraw/zinc/73/20/56/558732056.db2.gz JBWMURARSBAUDH-SSDVNMTOSA-N 0 1 403.269 5.755 40 30 HKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408911447 560653344 /nfs/dbraw/zinc/65/33/44/560653344.db2.gz NIUYKSBSPJCTGW-JJFYIABZSA-N 0 1 403.269 5.755 40 30 HKEBMN Cc1c(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1F ZINC000408913207 558732573 /nfs/dbraw/zinc/73/25/73/558732573.db2.gz UDEVIVARGJBMKZ-QFEZKATASA-N 0 1 402.429 5.491 40 30 HKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Br)c1 ZINC000408914023 558734166 /nfs/dbraw/zinc/73/41/66/558734166.db2.gz XBCSFYZHLSHRDA-MTJSOVHGSA-N 0 1 413.275 5.211 40 30 HKEBMN Cc1c(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000408914588 558734478 /nfs/dbraw/zinc/73/44/78/558734478.db2.gz YMTLXZGFAPZDAZ-QFEZKATASA-N 0 1 418.884 6.006 40 30 HKEBMN CCN(CC)c1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000408914806 560653961 /nfs/dbraw/zinc/65/39/61/560653961.db2.gz ZAPWSHVSRANMAU-JLPGSUDCSA-N 0 1 405.502 5.295 40 30 HKEBMN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 ZINC000408914853 560653974 /nfs/dbraw/zinc/65/39/74/560653974.db2.gz ZFIPWBWLFYXANF-YUMHPJSZSA-N 0 1 420.472 6.197 40 30 HKEBMN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3cccc4ccccc43)c3ccccc23)cc1 ZINC000408914882 558734496 /nfs/dbraw/zinc/73/44/96/558734496.db2.gz ZJOFSIGCUGCODF-YUMHPJSZSA-N 0 1 420.472 6.197 40 30 HKEBMN Cc1c(CN=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408914894 558734419 /nfs/dbraw/zinc/73/44/19/558734419.db2.gz ZMQZCCARYQBWHR-QFEZKATASA-N 0 1 418.884 6.006 40 30 HKEBMN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000408914900 560653946 /nfs/dbraw/zinc/65/39/46/560653946.db2.gz ZPGWKQGYFMNRCV-CFRMEGHHSA-N 0 1 404.857 5.697 40 30 HKEBMN Cc1ccc2nc(Sc3ccc(C=Nc4ccc(N5CCOCC5)cc4)o3)[nH]c2c1 ZINC000408931130 560655736 /nfs/dbraw/zinc/65/57/36/560655736.db2.gz HOCORODWBQCQQH-BUVRLJJBSA-N 0 1 418.522 5.203 40 30 HKEBMN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408944984 560656533 /nfs/dbraw/zinc/65/65/33/560656533.db2.gz VQSHSSNFAJLHFF-BGXAXVOZSA-N 0 1 400.909 6.623 40 30 HKEBMN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408944988 558754957 /nfs/dbraw/zinc/75/49/57/558754957.db2.gz VQSHSSNFAJLHFF-CMSXCWRSSA-N 0 1 400.909 6.623 40 30 HKEBMN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408944992 558754977 /nfs/dbraw/zinc/75/49/77/558754977.db2.gz VQSHSSNFAJLHFF-JDTUQCDQSA-N 0 1 400.909 6.623 40 30 HKEBMN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408944995 558754920 /nfs/dbraw/zinc/75/49/20/558754920.db2.gz VQSHSSNFAJLHFF-SKKTVYBZSA-N 0 1 400.909 6.623 40 30 HKEBMN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(O)c(Cl)c3)cc1)N2 ZINC000408945046 558754856 /nfs/dbraw/zinc/75/48/56/558754856.db2.gz VSQCNJFYHFWKGF-KHAAFOKYSA-N 0 1 414.936 6.931 40 30 HKEBMN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(O)c(Cl)c3)cc1)N2 ZINC000408945050 558754913 /nfs/dbraw/zinc/75/49/13/558754913.db2.gz VSQCNJFYHFWKGF-LSSBKUKYSA-N 0 1 414.936 6.931 40 30 HKEBMN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(O)c(Cl)c3)cc1)N2 ZINC000408945054 560656487 /nfs/dbraw/zinc/65/64/87/560656487.db2.gz VSQCNJFYHFWKGF-TULYJACKSA-N 0 1 414.936 6.931 40 30 HKEBMN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(O)c(Cl)c3)cc1)N2 ZINC000408945058 558755009 /nfs/dbraw/zinc/75/50/09/558755009.db2.gz VSQCNJFYHFWKGF-VRBUYGJOSA-N 0 1 414.936 6.931 40 30 HKEBMN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(Br)c3O)S2)cc1 ZINC000408964048 560658749 /nfs/dbraw/zinc/65/87/49/560658749.db2.gz FJIGYLJUUNLBGA-VGOFMYFVSA-N 0 1 423.719 5.008 40 30 HKEBMN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)cc(Cl)c3O)S2)cc1 ZINC000408967666 560659397 /nfs/dbraw/zinc/65/93/97/560659397.db2.gz WONVWJMAKAWFHB-AUWJEWJLSA-N 0 1 423.719 5.008 40 30 HKEBMN Clc1cccc(Cl)c1COc1ccc(C=NNc2nc3ccccc3o2)cc1 ZINC000408982248 558831912 /nfs/dbraw/zinc/83/19/12/558831912.db2.gz CXOPVQHWCMPKBQ-WYMPLXKRSA-N 0 1 412.276 6.160 40 30 HKEBMN Clc1cccc(Cl)c1COc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1 ZINC000408990382 558845864 /nfs/dbraw/zinc/84/58/64/558845864.db2.gz XHDRBIHFNCUEGS-WYMPLXKRSA-N 0 1 411.292 5.895 40 30 HKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408992816 560662916 /nfs/dbraw/zinc/66/29/16/560662916.db2.gz CGEGPLVTPYFWDJ-CFRMEGHHSA-N 0 1 419.510 5.260 40 30 HKEBMN Cc1nn(-c2ccc(C)cc2C)c(C)c1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000408993408 558852544 /nfs/dbraw/zinc/85/25/44/558852544.db2.gz DPSWYFKHLLCGOL-VROXFSQNSA-N 0 1 421.759 6.512 40 30 HKEBMN Cc1nn(-c2ccc(C)cc2)c(C)c1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000408995112 560662553 /nfs/dbraw/zinc/66/25/53/560662553.db2.gz JCAVWTQJLPOJFG-RMORIDSASA-N 0 1 407.732 6.204 40 30 HKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Br ZINC000408995560 560662633 /nfs/dbraw/zinc/66/26/33/560662633.db2.gz BADIEBVWVCRSPR-MTJSOVHGSA-N 0 1 413.275 5.211 40 30 HKEBMN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000408996622 560662759 /nfs/dbraw/zinc/66/27/59/560662759.db2.gz JJHFGZAEZQZULW-MSXFZWOLSA-N 0 1 402.376 5.467 40 30 HKEBMN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000409002029 558856111 /nfs/dbraw/zinc/85/61/11/558856111.db2.gz SBKNGIDNMLCOLE-VROXFSQNSA-N 0 1 421.759 6.512 40 30 HKEBMN Cc1ccc(NC(=O)COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1 ZINC000409005999 560664489 /nfs/dbraw/zinc/66/44/89/560664489.db2.gz GWHHIRYZKDEFRU-ZVHZXABRSA-N 0 1 416.506 5.068 40 30 HKEBMN Cc1ccc(NC(=O)COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1 ZINC000409005999 560664491 /nfs/dbraw/zinc/66/44/91/560664491.db2.gz GWHHIRYZKDEFRU-ZVHZXABRSA-N 0 1 416.506 5.068 40 30 HKEBMN Cc1cccc(NC(=O)COc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)c1 ZINC000409006009 558857258 /nfs/dbraw/zinc/85/72/58/558857258.db2.gz GYNCPHIEGFDBTN-ZVHZXABRSA-N 0 1 416.506 5.068 40 30 HKEBMN Cc1cccc(NC(=O)COc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)c1 ZINC000409006009 558857261 /nfs/dbraw/zinc/85/72/61/558857261.db2.gz GYNCPHIEGFDBTN-ZVHZXABRSA-N 0 1 416.506 5.068 40 30 HKEBMN Cc1ccccc1NC(=O)COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000409008579 560665828 /nfs/dbraw/zinc/66/58/28/560665828.db2.gz YFOITOWLKSNMQM-OYKKKHCWSA-N 0 1 416.506 5.068 40 30 HKEBMN Cc1ccccc1NC(=O)COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000409008579 560665830 /nfs/dbraw/zinc/66/58/30/560665830.db2.gz YFOITOWLKSNMQM-OYKKKHCWSA-N 0 1 416.506 5.068 40 30 HKEBMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1c(F)cccc1F ZINC000409015434 560666342 /nfs/dbraw/zinc/66/63/42/560666342.db2.gz RCIFYMXAEDTPLK-WYMPLXKRSA-N 0 1 409.417 5.240 40 30 HKEBMN FC(F)(F)c1ccc(N=NCc2ccc(Sc3ccc(Cl)cc3)s2)nc1 ZINC000409021444 560666872 /nfs/dbraw/zinc/66/68/72/560666872.db2.gz HXQMUIRBKBGXCO-RMORIDSASA-N 0 1 413.877 6.413 40 30 HKEBMN CCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O ZINC000409032309 560668432 /nfs/dbraw/zinc/66/84/32/560668432.db2.gz CLQXGTQFMMSIHA-UHFFFAOYSA-N 0 1 406.309 5.132 40 30 HKEBMN Fc1ccc(Cn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000409042966 560669217 /nfs/dbraw/zinc/66/92/17/560669217.db2.gz LYOYBIVNXGCCSJ-DHRITJCHSA-N 0 1 400.482 5.884 40 30 HKEBMN CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)cc(Cl)c2O)C2=C1CCCC2=O ZINC000409046340 560669534 /nfs/dbraw/zinc/66/95/34/560669534.db2.gz JZGHRWIJMFYIHE-UHFFFAOYSA-N 0 1 420.336 5.522 40 30 HKEBMN O=C1C=CC(=[NH+][N-]c2ccccc2)C=C1C=NNC(F)(F)C(F)(F)C(F)(F)F ZINC000409046830 558894049 /nfs/dbraw/zinc/89/40/49/558894049.db2.gz KUZLWWZMKGNRNH-KDCQASJNSA-N 0 1 408.277 5.522 40 30 HKEBMN COc1ccc(-n2c(C)cc(C=NNc3nc4ccccc4s3)c2C)cc1Cl ZINC000409063471 560672007 /nfs/dbraw/zinc/67/20/07/560672007.db2.gz LKFVXSPWSQDQSP-FSJBWODESA-N 0 1 410.930 5.812 40 30 HKEBMN Cc1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)c(Br)c1 ZINC000409064116 560672101 /nfs/dbraw/zinc/67/21/01/560672101.db2.gz GIPMSZWUHNWCHD-VROXFSQNSA-N 0 1 424.220 5.877 40 30 HKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1 ZINC000409065039 560672228 /nfs/dbraw/zinc/67/22/28/560672228.db2.gz KOHBYFMXBUPILC-UVHMKAGCSA-N 0 1 415.415 5.524 40 30 HKEBMN FC(F)(F)c1ccc(N=NCc2ccc(Sc3nc4ccccc4[nH]3)o2)nc1 ZINC000409065308 560672206 /nfs/dbraw/zinc/67/22/06/560672206.db2.gz HNCOOBBNJHXTHB-AUEPDCJTSA-N 0 1 403.389 5.167 40 30 HKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC ZINC000409065766 560672258 /nfs/dbraw/zinc/67/22/58/560672258.db2.gz NCIIMTNDPPRUCO-LSFURLLWSA-N 0 1 417.771 5.120 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc3ccccc3c2)nc1 ZINC000409068585 558913614 /nfs/dbraw/zinc/91/36/14/558913614.db2.gz TYPFHWCXCZWEQD-IPPBACCNSA-N 0 1 421.422 6.279 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccccc2Cl)nc1 ZINC000409068814 558913835 /nfs/dbraw/zinc/91/38/35/558913835.db2.gz ISEYFYFJHMLDES-KBKYJPHKSA-N 0 1 405.807 5.779 40 30 HKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(F)c1 ZINC000409070542 560673173 /nfs/dbraw/zinc/67/31/73/560673173.db2.gz CBGULNHXDQATEO-LUOAPIJWSA-N 0 1 419.378 5.273 40 30 HKEBMN CC(C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409071214 560673295 /nfs/dbraw/zinc/67/32/95/560673295.db2.gz PYYKDGTURXRWSY-GZIVZEMBSA-N 0 1 402.214 5.096 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc(Cl)cc2)nc1 ZINC000409072616 560673432 /nfs/dbraw/zinc/67/34/32/560673432.db2.gz TZQMYPIQTAOBKI-KBKYJPHKSA-N 0 1 405.807 5.779 40 30 HKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(C)cc1 ZINC000409073085 558915179 /nfs/dbraw/zinc/91/51/79/558915179.db2.gz UVNBMTKOWPCOBU-KKMKTNMSSA-N 0 1 415.415 5.442 40 30 HKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1F ZINC000409074092 560673672 /nfs/dbraw/zinc/67/36/72/560673672.db2.gz XULKUTNZCQFAAE-LUOAPIJWSA-N 0 1 419.378 5.273 40 30 HKEBMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C=NNc2ccc(C(F)(F)F)cn2)o1 ZINC000409084466 558928583 /nfs/dbraw/zinc/92/85/83/558928583.db2.gz CVVXLWMDXIKSSI-NUGSKGIGSA-N 0 1 410.739 5.368 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2cccc3ccccc32)nc1 ZINC000409085554 558928738 /nfs/dbraw/zinc/92/87/38/558928738.db2.gz DIOSIFJXVQYBDV-IPPBACCNSA-N 0 1 421.422 6.279 40 30 HKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409090376 558930231 /nfs/dbraw/zinc/93/02/31/558930231.db2.gz PGCQYDYKNDVQBJ-JMYYYQBNSA-N 0 1 418.566 5.512 40 30 HKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409090380 560675264 /nfs/dbraw/zinc/67/52/64/560675264.db2.gz PGCQYDYKNDVQBJ-LRJOKAOCSA-N 0 1 418.566 5.512 40 30 HKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409090382 558930301 /nfs/dbraw/zinc/93/03/01/558930301.db2.gz PGCQYDYKNDVQBJ-MRMWAEPLSA-N 0 1 418.566 5.512 40 30 HKEBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409090383 558930341 /nfs/dbraw/zinc/93/03/41/558930341.db2.gz PGCQYDYKNDVQBJ-QCECIIMLSA-N 0 1 418.566 5.512 40 30 HKEBMN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NNc1nc2ccccc2s1 ZINC000409090664 560675275 /nfs/dbraw/zinc/67/52/75/560675275.db2.gz NAJJTOCKINADRF-QFEZKATASA-N 0 1 403.551 5.916 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccccc2Sc2ccc(Cl)cc2)nc1 ZINC000409090827 560675290 /nfs/dbraw/zinc/67/52/90/560675290.db2.gz QNHFGVHQSQRDIV-GATIEOLUSA-N 0 1 407.848 6.351 40 30 HKEBMN COc1cccc(C=NNc2nc3ccccc3s2)c1OCc1ccc(Cl)cc1 ZINC000409092050 560675381 /nfs/dbraw/zinc/67/53/81/560675381.db2.gz SNFPYQPPMXHLJZ-CFRMEGHHSA-N 0 1 423.925 5.983 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc1 ZINC000409092418 560674480 /nfs/dbraw/zinc/67/44/80/560674480.db2.gz XXQNVDHVCVCPHC-OPVMPGTRSA-N 0 1 400.187 6.113 40 30 HKEBMN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1OC ZINC000409094092 560674577 /nfs/dbraw/zinc/67/45/77/560674577.db2.gz BVDXYKYGWLZVJK-LSFURLLWSA-N 0 1 417.771 5.120 40 30 HKEBMN CCOc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409094154 558931558 /nfs/dbraw/zinc/93/15/58/558931558.db2.gz CZQDSJGXBFIDDJ-GZIVZEMBSA-N 0 1 422.190 5.765 40 30 HKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(F)cc1 ZINC000409094520 560674645 /nfs/dbraw/zinc/67/46/45/560674645.db2.gz FKVVSQURCRWWRV-LUOAPIJWSA-N 0 1 419.378 5.273 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(Sc3ccc(Cl)cc3)cc2)nc1 ZINC000409095081 558931689 /nfs/dbraw/zinc/93/16/89/558931689.db2.gz BGDJIXCSFOBHQQ-OPEKNORGSA-N 0 1 407.848 6.351 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3cccc(Cl)c3Cl)o2)nc1 ZINC000409095883 558931485 /nfs/dbraw/zinc/93/14/85/558931485.db2.gz IQSGXJCOLDIDRS-OPVMPGTRSA-N 0 1 400.187 6.113 40 30 HKEBMN O=[N+]([O-])c1cccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cn2)c1 ZINC000409097654 558932313 /nfs/dbraw/zinc/93/23/13/558932313.db2.gz NCAWNGGNQRCBES-OPEKNORGSA-N 0 1 416.359 5.034 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3cccc(Br)c3)o2)nc1 ZINC000409097741 558932304 /nfs/dbraw/zinc/93/23/04/558932304.db2.gz HCOWUYKBLDYTDZ-AUEPDCJTSA-N 0 1 410.193 5.569 40 30 HKEBMN CCOc1cc(Cl)c(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409099080 560676374 /nfs/dbraw/zinc/67/63/74/560676374.db2.gz PZFNYOSDVVRLDE-LSFURLLWSA-N 0 1 417.771 5.120 40 30 HKEBMN COc1cc(N2CCCCC2)ccc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409100847 560677077 /nfs/dbraw/zinc/67/70/77/560677077.db2.gz XBGAQDARGRPBBQ-ZMOGYAJESA-N 0 1 422.407 5.059 40 30 HKEBMN CC[C@H](C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409101118 558933367 /nfs/dbraw/zinc/93/33/67/558933367.db2.gz VMSUTOZVMNMKRY-LGPHULDDSA-N 0 1 416.241 5.486 40 30 HKEBMN CC[C@@H](C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409101119 560677141 /nfs/dbraw/zinc/67/71/41/560677141.db2.gz VMSUTOZVMNMKRY-XARWVIDASA-N 0 1 416.241 5.486 40 30 HKEBMN O=[N+]([O-])c1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)c(Cl)c1 ZINC000409101567 560677163 /nfs/dbraw/zinc/67/71/63/560677163.db2.gz YJFDWMFDZNBUMC-NUGSKGIGSA-N 0 1 410.739 5.368 40 30 HKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1O[C@H](C)CC ZINC000409101672 558932647 /nfs/dbraw/zinc/93/26/47/558932647.db2.gz XDAGEBMJIBWERG-LPUHGPTISA-N 0 1 415.843 5.776 40 30 HKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1O[C@@H](C)CC ZINC000409101675 558932631 /nfs/dbraw/zinc/93/26/31/558932631.db2.gz XDAGEBMJIBWERG-LUKCILAXSA-N 0 1 415.843 5.776 40 30 HKEBMN CC[C@H](C)Oc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409101962 560677300 /nfs/dbraw/zinc/67/73/00/560677300.db2.gz ZRVIQDWBTLHQIA-OLLYESQCSA-N 0 1 401.816 5.386 40 30 HKEBMN CC[C@@H](C)Oc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409101966 560677297 /nfs/dbraw/zinc/67/72/97/560677297.db2.gz ZRVIQDWBTLHQIA-PTGPUUDJSA-N 0 1 401.816 5.386 40 30 HKEBMN O=[N+]([O-])c1cccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC000409102005 560677341 /nfs/dbraw/zinc/67/73/41/560677341.db2.gz ZXLMAEMZTIYOFZ-OPEKNORGSA-N 0 1 416.359 5.034 40 30 HKEBMN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)c1 ZINC000409102625 558932802 /nfs/dbraw/zinc/93/28/02/558932802.db2.gz DRSIZBIKGLYMQU-NUGSKGIGSA-N 0 1 410.739 5.368 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3)cc2)nc1 ZINC000409103031 560677449 /nfs/dbraw/zinc/67/74/49/560677449.db2.gz CRNUSSWWVRYFQB-KBKYJPHKSA-N 0 1 405.807 5.779 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)nc1 ZINC000409103499 560675540 /nfs/dbraw/zinc/67/55/40/560675540.db2.gz WUMPUEPNHLZCAK-OPVMPGTRSA-N 0 1 400.187 6.113 40 30 HKEBMN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(C)c1 ZINC000409104688 558934056 /nfs/dbraw/zinc/93/40/56/558934056.db2.gz DYVXBMMTJQNXMM-KKMKTNMSSA-N 0 1 415.415 5.442 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3cccc4ccccc43)cc2)nc1 ZINC000409105132 558934232 /nfs/dbraw/zinc/93/42/32/558934232.db2.gz GOUWBGMTBVEJLQ-IPPBACCNSA-N 0 1 421.422 6.279 40 30 HKEBMN O=[N+]([O-])c1cc(-c2ccc(C=NNc3ccc(C(F)(F)F)cn3)o2)ccc1Cl ZINC000409105158 558934192 /nfs/dbraw/zinc/93/41/92/558934192.db2.gz JKJBYOOQPFTUDE-AQHIEDMUSA-N 0 1 410.739 5.368 40 30 HKEBMN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)cc(Cl)c1OC(C)C ZINC000409105262 560678376 /nfs/dbraw/zinc/67/83/76/560678376.db2.gz KIEZSMOHZWNLLG-PGGKNCGUSA-N 0 1 401.816 5.386 40 30 HKEBMN O=[N+]([O-])c1ccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cn2)cc1 ZINC000409105762 560678373 /nfs/dbraw/zinc/67/83/73/560678373.db2.gz KIYCUVUFRJVDAL-OPEKNORGSA-N 0 1 416.359 5.034 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)nc1 ZINC000409106546 560678508 /nfs/dbraw/zinc/67/85/08/560678508.db2.gz MONLMDYAGCOUGP-RMORIDSASA-N 0 1 410.193 5.569 40 30 HKEBMN COc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409106689 558935066 /nfs/dbraw/zinc/93/50/66/558935066.db2.gz SNCGEECGZRHVGE-QPSGOUHRSA-N 0 1 408.163 5.375 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)nc1 ZINC000409106741 558935055 /nfs/dbraw/zinc/93/50/55/558935055.db2.gz UBMKSUGZMRTWRV-IPPBACCNSA-N 0 1 421.422 6.279 40 30 HKEBMN CCOc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409107227 560678639 /nfs/dbraw/zinc/67/86/39/560678639.db2.gz RBYABSGSZOMLDQ-LSFURLLWSA-N 0 1 417.771 5.120 40 30 HKEBMN O=[N+]([O-])c1ccc(COc2ccc(C=NNc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000409112567 558937619 /nfs/dbraw/zinc/93/76/19/558937619.db2.gz DZGVEIXGXUWOIW-OPEKNORGSA-N 0 1 416.359 5.034 40 30 HKEBMN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccccc3Cl)cc2)nc1 ZINC000409118192 560679225 /nfs/dbraw/zinc/67/92/25/560679225.db2.gz PDFMZQFQMWKYSP-KBKYJPHKSA-N 0 1 405.807 5.779 40 30 HKEBMN Clc1ccc(COc2cccc(CN=Nc3nc4ccccc4[nH]3)c2)c(Cl)c1 ZINC000409175777 558997246 /nfs/dbraw/zinc/99/72/46/558997246.db2.gz CUJBAHAKCRAABD-WYMPLXKRSA-N 0 1 411.292 5.895 40 30 HKEBMN Cc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c(C)n1-c1ccc(C)c(Br)c1 ZINC000409176550 560687209 /nfs/dbraw/zinc/68/72/09/560687209.db2.gz QXZOTHFXFGHCDJ-FSJBWODESA-N 0 1 422.330 5.487 40 30 HKEBMN C(=NNc1nc2ccccc2[nH]1)c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409178470 560687572 /nfs/dbraw/zinc/68/75/72/560687572.db2.gz IMEGYSJUOJAYMG-LQKURTRISA-N 0 1 415.500 6.165 40 30 HKEBMN Clc1cccc(COc2ccc(Cl)cc2C=NNc2nc3ccccc3[nH]2)c1 ZINC000409178960 560687730 /nfs/dbraw/zinc/68/77/30/560687730.db2.gz LIHAUMYJTYDOBR-WYMPLXKRSA-N 0 1 411.292 5.895 40 30 HKEBMN Cc1ccc(Cl)cc1/N=C/c1cc(Br)cc(Br)c1O ZINC000409199285 560692243 /nfs/dbraw/zinc/69/22/43/560692243.db2.gz BGENTTQTLSTSLP-CNHKJKLMSA-N 0 1 403.501 5.630 40 30 HKEBMN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1O ZINC000409210211 560694725 /nfs/dbraw/zinc/69/47/25/560694725.db2.gz FNENUGVKWMORIC-DSKMXOTJSA-N 0 1 416.974 6.279 40 30 HKEBMN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1O ZINC000409210214 559019698 /nfs/dbraw/zinc/01/96/98/559019698.db2.gz FNENUGVKWMORIC-KWRYHKOTSA-N 0 1 416.974 6.279 40 30 HKEBMN O=[N+]([O-])c1ccc(N=NCc2cn(CCOc3ccccc3)c3ccccc23)cc1 ZINC000409212352 559021078 /nfs/dbraw/zinc/02/10/78/559021078.db2.gz QFRZAWCTEXHAJC-JLPGSUDCSA-N 0 1 400.438 5.075 40 30 HKEBMN CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccc(F)cc1 ZINC000409234830 559049148 /nfs/dbraw/zinc/04/91/48/559049148.db2.gz MXLOWABMWVNTBK-QZUMTDLQSA-N 0 1 411.285 5.462 40 30 HKEBMN CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccc(OC)cc1 ZINC000409241050 559050031 /nfs/dbraw/zinc/05/00/31/559050031.db2.gz WSEPEGQOSLKPMC-FJQPQQQZSA-N 0 1 423.321 5.332 40 30 HKEBMN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)S1 ZINC000409242345 559050198 /nfs/dbraw/zinc/05/01/98/559050198.db2.gz RALDNDUOYMMYCT-MKMNVTDBSA-N 0 1 413.713 5.552 40 30 HKEBMN Fc1cccc(Cn2ccc3cc(C=NNc4ccc(C(F)(F)F)cn4)ccc32)c1 ZINC000409248302 559050379 /nfs/dbraw/zinc/05/03/79/559050379.db2.gz PJISJKYNHBGDSJ-KVSWJAHQSA-N 0 1 412.390 5.689 40 30 HKEBMN COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc(Cl)c1O ZINC000409381594 559071084 /nfs/dbraw/zinc/07/10/84/559071084.db2.gz HGKPPHBRESSESO-BHGWPJFGSA-N 0 1 408.797 5.789 40 30 HKEBMN CCOc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc(Cl)c1O ZINC000409382186 559071038 /nfs/dbraw/zinc/07/10/38/559071038.db2.gz PSWMIJZSODPXAG-BRJLIKDPSA-N 0 1 422.824 6.180 40 30 HKEBMN CCCCc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)s1 ZINC000585293442 568746089 /nfs/dbraw/zinc/74/60/89/568746089.db2.gz HLJOOQVBYZJESC-JOCHJYFZSA-N 0 1 418.570 5.228 40 30 HKEBMN CCCCc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)s1 ZINC000585293445 568746706 /nfs/dbraw/zinc/74/67/06/568746706.db2.gz HLJOOQVBYZJESC-QFIPXVFZSA-N 0 1 418.570 5.228 40 30 HKEBMN CC(C)Cc1ccc(CN2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)s1 ZINC000585294661 568746168 /nfs/dbraw/zinc/74/61/68/568746168.db2.gz TVYRVHDYSVBFCA-JOCHJYFZSA-N 0 1 418.570 5.084 40 30 HKEBMN CC(C)Cc1ccc(CN2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)s1 ZINC000585294662 568746429 /nfs/dbraw/zinc/74/64/29/568746429.db2.gz TVYRVHDYSVBFCA-QFIPXVFZSA-N 0 1 418.570 5.084 40 30 HKEBMN N#Cc1ccnc(Nc2nc(C3CCN(Cc4cc5ccccc5[nH]4)CC3)cs2)c1 ZINC000585295121 568746042 /nfs/dbraw/zinc/74/60/42/568746042.db2.gz MMDJUJJSWFFPFO-UHFFFAOYSA-N 0 1 414.538 5.014 40 30 HKEBMN CCCc1ccc(CN2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)o1 ZINC000585295403 568746711 /nfs/dbraw/zinc/74/67/11/568746711.db2.gz YHTZTFKRYHSPSB-UHFFFAOYSA-N 0 1 407.543 5.078 40 30 HKEBMN Cc1c2ccccc2[nH]c1CN1CCC[C@H]1c1cccc(Nc2ccc(C#N)nc2)n1 ZINC000585295438 568746680 /nfs/dbraw/zinc/74/66/80/568746680.db2.gz ZIUFWWKEMVLPAU-DEOSSOPVSA-N 0 1 408.509 5.219 40 30 HKEBMN Cc1c2ccccc2[nH]c1CN1CCC[C@@H]1c1cccc(Nc2ccc(C#N)nc2)n1 ZINC000585295439 568746423 /nfs/dbraw/zinc/74/64/23/568746423.db2.gz ZIUFWWKEMVLPAU-XMMPIXPASA-N 0 1 408.509 5.219 40 30 HKEBMN