smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)c1 ZINC000009260382 132337756 /nfs/dbraw/zinc/33/77/56/132337756.db2.gz URFMZXWGESLYRZ-VGOFMYFVSA-N 0 1 421.341 3.959 40 10 HHCBMN Cc1cccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000408551161 557422719 /nfs/dbraw/zinc/42/27/19/557422719.db2.gz LSRFCNJLLXRIFV-LCYFTJDESA-N 0 1 403.866 3.840 40 10 HHCBMN COC(=O)Cc1c(C)c2ccc([O-])c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2oc1=O ZINC000085877159 558851487 /nfs/dbraw/zinc/85/14/87/558851487.db2.gz FMZMZERQRMDNSC-OWJWWREXSA-N 0 1 413.514 3.923 40 10 HHCBMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000409020710 560666722 /nfs/dbraw/zinc/66/67/22/560666722.db2.gz SINPYWVVFIUIAQ-MHWRWJLKSA-N 0 1 400.887 3.797 40 10 HHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409398755 560720756 /nfs/dbraw/zinc/72/07/56/560720756.db2.gz CMBXYYBGVVGFSU-ZHZULCJRSA-N 0 1 415.405 3.635 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CSCc3ccc(Cl)cc3F)cc2)CC1 ZINC000222569012 568518774 /nfs/dbraw/zinc/51/87/74/568518774.db2.gz WMRQFHBHCBDVPP-UHFFFAOYSA-N 0 1 421.969 3.781 40 10 HHCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408740283 557806173 /nfs/dbraw/zinc/80/61/73/557806173.db2.gz FIVBMKBYYSXGEE-OQLLNIDSSA-N 0 1 401.285 3.589 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)c(C)c1 ZINC000409131785 560680533 /nfs/dbraw/zinc/68/05/33/560680533.db2.gz OWXINRRZALDXEP-LDADJPATSA-N 0 1 423.513 3.874 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(OCC)c1 ZINC000409123850 560680735 /nfs/dbraw/zinc/68/07/35/560680735.db2.gz FCNONOGERXFMPM-LDADJPATSA-N 0 1 424.522 3.932 40 10 HHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)ccc1OC(C)C ZINC000409222604 560698957 /nfs/dbraw/zinc/69/89/57/560698957.db2.gz CGOCBQIBKHBWEM-LFIBNONCSA-N 0 1 410.495 3.622 40 10 HHCBMN Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)NC1=S ZINC000409232821 560700694 /nfs/dbraw/zinc/70/06/94/560700694.db2.gz SHIRHZHFGSPWSI-QGOAFFKASA-N 0 1 405.454 3.756 40 10 HHCBMN CC(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000409399638 560720742 /nfs/dbraw/zinc/72/07/42/560720742.db2.gz LABUTDQMPBFXBU-GDNBJRDFSA-N 0 1 401.260 3.698 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1F ZINC000006407640 560742035 /nfs/dbraw/zinc/74/20/35/560742035.db2.gz DKWALLQWQNDRSB-XMHGGMMESA-N 0 1 418.424 3.875 40 10 HHCBMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1C ZINC000223824849 568559999 /nfs/dbraw/zinc/55/99/99/568559999.db2.gz AGYRQHYABWBRMX-UHFFFAOYSA-N 0 1 409.463 3.813 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 ZINC000225363130 568631593 /nfs/dbraw/zinc/63/15/93/568631593.db2.gz DCWLEXBXQLYJEW-UHFFFAOYSA-N 0 1 406.357 3.994 40 10 HHCBMN CC[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000034839645 569360579 /nfs/dbraw/zinc/36/05/79/569360579.db2.gz KLMVZMKOXICUSW-KPENOIPVSA-N 0 1 415.833 3.887 40 10 HHCBMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000000631629 557027036 /nfs/dbraw/zinc/02/70/36/557027036.db2.gz VKGNBENPIWSSNL-CIAFOILYSA-N 0 1 405.429 3.993 40 10 HHCBMN C[C@H](Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc2cccnc2c1O ZINC000004627698 557574034 /nfs/dbraw/zinc/57/40/34/557574034.db2.gz WUMBPDDONXYOSU-AWEZNQCLSA-N 0 1 421.482 3.704 40 10 HHCBMN COc1ccc(N2C(=O)/C(=C\c3ccc4c5c(cccc53)CC4)C(=O)NC2=S)cc1 ZINC000408752660 557816380 /nfs/dbraw/zinc/81/63/80/557816380.db2.gz JCKRDEUTDLKEIB-MOSHPQCFSA-N 0 1 414.486 3.778 40 10 HHCBMN Cc1cc(N2CCCC2)ccc1CN1CCc2c(=O)[nH]c(N3CCC(C)CC3)nc2C1 ZINC000072347356 558944431 /nfs/dbraw/zinc/94/44/31/558944431.db2.gz IFZMQNCADVNEDH-UHFFFAOYSA-N 0 1 421.589 3.885 40 10 HHCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)C(=O)NC1=S ZINC000408961973 560658429 /nfs/dbraw/zinc/65/84/29/560658429.db2.gz WFNIHFNPTRAMIF-HMMYKYKNSA-N 0 1 419.550 3.989 40 10 HHCBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000409107762 560678757 /nfs/dbraw/zinc/67/87/57/560678757.db2.gz UKBXGDHTAGEPPW-JLHYYAGUSA-N 0 1 404.850 3.709 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409134575 560682166 /nfs/dbraw/zinc/68/21/66/560682166.db2.gz WGLHXYVHJDRXKD-LFIBNONCSA-N 0 1 410.495 3.542 40 10 HHCBMN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409237474 560699362 /nfs/dbraw/zinc/69/93/62/560699362.db2.gz USVCODRRANEYAV-SDNWHVSQSA-N 0 1 400.887 3.959 40 10 HHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)ccc1OC ZINC000409238466 560699558 /nfs/dbraw/zinc/69/95/58/560699558.db2.gz DKTDKCHSKCYKTD-JLHYYAGUSA-N 0 1 416.886 3.579 40 10 HHCBMN Cc1ccccc1N1C(=O)/C(=C/c2cc(Br)cs2)C(=O)NC1=S ZINC000409239987 560699975 /nfs/dbraw/zinc/69/99/75/560699975.db2.gz PCKABNBSXSKHBH-KPKJPENVSA-N 0 1 407.314 3.650 40 10 HHCBMN CCOc1c(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cccc1OC ZINC000409346593 560712908 /nfs/dbraw/zinc/71/29/08/560712908.db2.gz LPZDSRZJECYVNR-GXDHUFHOSA-N 0 1 420.537 3.702 40 10 HHCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)cc1 ZINC000409376561 560717858 /nfs/dbraw/zinc/71/78/58/560717858.db2.gz ZIXCFNQSKTUIIS-CPNJWEJPSA-N 0 1 423.513 3.820 40 10 HHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Cl ZINC000006188759 568936613 /nfs/dbraw/zinc/93/66/13/568936613.db2.gz RPZICZOCXARUOJ-OQLLNIDSSA-N 0 1 400.887 3.797 40 10 HHCBMN CCc1ccccc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408551234 557422958 /nfs/dbraw/zinc/42/29/58/557422958.db2.gz MQICPTCBQPKUQX-RAXLEYEMSA-N 0 1 403.866 3.785 40 10 HHCBMN CCc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408553057 557442432 /nfs/dbraw/zinc/44/24/32/557442432.db2.gz WLHOZMIKQQOADT-UVTDQMKNSA-N 0 1 403.866 3.785 40 10 HHCBMN CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100799180 558795883 /nfs/dbraw/zinc/79/58/83/558795883.db2.gz DGHHDANZEPTKRU-VABKMULXSA-N 0 1 413.477 3.804 40 10 HHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000408785012 560641365 /nfs/dbraw/zinc/64/13/65/560641365.db2.gz FHGXZVKEGPROIG-UDWIEESQSA-N 0 1 416.506 3.629 40 10 HHCBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000408818104 560644762 /nfs/dbraw/zinc/64/47/62/560644762.db2.gz XWLZSHYEEMKJSR-LFIBNONCSA-N 0 1 400.887 3.878 40 10 HHCBMN CC(C)Oc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408865390 560648316 /nfs/dbraw/zinc/64/83/16/560648316.db2.gz APFAGNCPSHFXRI-WJDWOHSUSA-N 0 1 400.887 3.959 40 10 HHCBMN CC(C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000408879244 560649237 /nfs/dbraw/zinc/64/92/37/560649237.db2.gz BPGUBZAPICYWJE-GDNBJRDFSA-N 0 1 400.887 3.959 40 10 HHCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)cc1 ZINC000408960498 560657940 /nfs/dbraw/zinc/65/79/40/560657940.db2.gz MKZATVFJLKDXKD-RCCKNPSSSA-N 0 1 419.550 3.989 40 10 HHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(C)C ZINC000408987531 560661863 /nfs/dbraw/zinc/66/18/63/560661863.db2.gz FOZRJRWFHOTFDJ-LDADJPATSA-N 0 1 424.522 3.951 40 10 HHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409236245 560699115 /nfs/dbraw/zinc/69/91/15/560699115.db2.gz FMVMXTRESNDELG-CPNJWEJPSA-N 0 1 416.506 3.629 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1OC(C)C ZINC000409232848 560700703 /nfs/dbraw/zinc/70/07/03/560700703.db2.gz BVGCPPVXMNAIFD-SFQUDFHCSA-N 0 1 424.522 3.931 40 10 HHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)c1 ZINC000409247166 560701592 /nfs/dbraw/zinc/70/15/92/560701592.db2.gz CGWGXFRKKLJBKE-LBAFEDMOSA-N 0 1 405.523 3.757 40 10 HHCBMN Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 ZINC000409372493 560716900 /nfs/dbraw/zinc/71/69/00/560716900.db2.gz LHQKAJCTPLUKBJ-FYJGNVAPSA-N 0 1 416.433 3.829 40 10 HHCBMN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000216928207 568469305 /nfs/dbraw/zinc/46/93/05/568469305.db2.gz MBKHMUQEPOOPCD-MRXNPFEDSA-N 0 1 403.979 3.889 40 10 HHCBMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1NC(C)=O ZINC000223788411 568559171 /nfs/dbraw/zinc/55/91/71/568559171.db2.gz ZGTPOVDPJRNPHT-UHFFFAOYSA-N 0 1 424.478 3.685 40 10 HHCBMN CCCc1cc(C(=O)N2CCC[C@@H](c3[nH]ncc3C(=O)N(C)c3ccccc3)C2)no1 ZINC000257319151 568810121 /nfs/dbraw/zinc/81/01/21/568810121.db2.gz VQYSKVKBCMOZHW-MRXNPFEDSA-N 0 1 421.501 3.647 40 10 HHCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000226088000 569285008 /nfs/dbraw/zinc/28/50/08/569285008.db2.gz YXICKZPNQIKFFX-JYRVWZFOSA-N 0 1 407.278 3.833 40 10 HHCBMN Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000006043984 569359699 /nfs/dbraw/zinc/35/96/99/569359699.db2.gz LGJUKVQMFWQCGT-SFQUDFHCSA-N 0 1 409.486 3.566 40 10 HHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000002397579 960470557 /nfs/dbraw/zinc/47/05/57/960470557.db2.gz CURLGUIQFYSJEN-FYJGNVAPSA-N 0 1 417.440 3.895 40 10 HHCBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)NC2=S)cc1 ZINC000006026610 132308927 /nfs/dbraw/zinc/30/89/27/132308927.db2.gz MPYBJIRAOVTSPB-HMMYKYKNSA-N 0 1 421.522 3.517 40 10 HHCBMN COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)CC2)cc1 ZINC000055501563 558881861 /nfs/dbraw/zinc/88/18/61/558881861.db2.gz YXWLUFJYUXOUAJ-FPVCRCAZSA-N 0 1 404.595 3.656 40 10 HHCBMN COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000089455611 558955415 /nfs/dbraw/zinc/95/54/15/558955415.db2.gz WPXZTSXIYDOBHO-AUWJEWJLSA-N 0 1 406.416 3.854 40 10 HHCBMN O=C1NC(=O)C(=Cc2c(OCc3cccc(Cl)c3)ccc3ccccc32)C(=O)N1 ZINC000408808991 560643756 /nfs/dbraw/zinc/64/37/56/560643756.db2.gz GPRAQOJMRWEXTN-UHFFFAOYSA-N 0 1 406.825 3.822 40 10 HHCBMN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000408959810 560657694 /nfs/dbraw/zinc/65/76/94/560657694.db2.gz GFFKBKOOHYLRFS-XMHGGMMESA-N 0 1 405.523 3.735 40 10 HHCBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)NC2=S)c1 ZINC000408961119 560658054 /nfs/dbraw/zinc/65/80/54/560658054.db2.gz RDRHIMAHVKWDRC-XSFVSMFZSA-N 0 1 405.523 3.735 40 10 HHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)c1C ZINC000409131261 560680452 /nfs/dbraw/zinc/68/04/52/560680452.db2.gz NXMUJHXEEJXLIZ-XYOKQWHBSA-N 0 1 421.341 3.959 40 10 HHCBMN CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 ZINC000409195709 560690348 /nfs/dbraw/zinc/69/03/48/560690348.db2.gz RUGLMCIOUCCMLZ-STZFKDTASA-N 0 1 421.497 3.897 40 10 HHCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Br)s2)C(=O)NC1=S ZINC000409239738 560699777 /nfs/dbraw/zinc/69/97/77/560699777.db2.gz DSONWSOSISHCSO-DHZHZOJOSA-N 0 1 407.314 3.650 40 10 HHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409235445 560700983 /nfs/dbraw/zinc/70/09/83/560700983.db2.gz QASVIDSDHUIDGO-GZTJUZNOSA-N 0 1 410.495 3.659 40 10 HHCBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OC)C(=O)NC2=S)cc1 ZINC000409375426 560716150 /nfs/dbraw/zinc/71/61/50/560716150.db2.gz KNZSAEJWZYTJKW-LFIBNONCSA-N 0 1 400.887 3.742 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CCSc3ccc(Cl)cc3)cc2)CC1 ZINC000216929593 568469325 /nfs/dbraw/zinc/46/93/25/568469325.db2.gz PGRGAJDDBVVFSN-UHFFFAOYSA-N 0 1 403.979 3.890 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000225379911 568632785 /nfs/dbraw/zinc/63/27/85/568632785.db2.gz ZBPNAIAKASSNPF-UHFFFAOYSA-N 0 1 406.357 3.994 40 10 HHCBMN CCOc1cccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)NC2=S)c1 ZINC000059678876 568709803 /nfs/dbraw/zinc/70/98/03/568709803.db2.gz XSFSCQKEILSAEU-UYRXBGFRSA-N 0 1 419.506 3.717 40 10 HHCBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C ZINC000006563388 569360100 /nfs/dbraw/zinc/36/01/00/569360100.db2.gz SIEYNHNLICOJOO-LFIBNONCSA-N 0 1 400.862 3.987 40 10 HHCBMN Nc1ccc(S(=O)(=O)Nc2nccs2)cc1/N=N/c1ccccc1[N+](=O)[O-] ZINC000017146632 571305818 /nfs/dbraw/zinc/30/58/18/571305818.db2.gz JJVRPICUGFLOHL-VHEBQXMUSA-N 0 1 404.433 3.850 40 10 HHCBMN Cc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1C ZINC000408552809 557441930 /nfs/dbraw/zinc/44/19/30/557441930.db2.gz VPMHDYVWQLYCNW-ZROIWOOFSA-N 0 1 403.866 3.840 40 10 HHCBMN CCOc1ccccc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408553056 557442489 /nfs/dbraw/zinc/44/24/89/557442489.db2.gz WKZOJYYKWIBXSF-BENRWUELSA-N 0 1 419.865 3.622 40 10 HHCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc12 ZINC000015013002 558701062 /nfs/dbraw/zinc/70/10/62/558701062.db2.gz ZJXRYRZDZDDANS-PDGQHHTCSA-N 0 1 406.438 3.819 40 10 HHCBMN CC[C@@H](C)n1nc(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)[nH]c1=O ZINC000064220072 558962443 /nfs/dbraw/zinc/96/24/43/558962443.db2.gz YJDVJBBIKKKAST-QGZVFWFLSA-N 0 1 407.518 3.545 40 10 HHCBMN Cc1cc(C)cc(COc2ccc3ccccc3c2C=C2C(=O)NC(=O)NC2=O)c1 ZINC000408892178 560650996 /nfs/dbraw/zinc/65/09/96/560650996.db2.gz BQFYFEACSLFLGO-UHFFFAOYSA-N 0 1 400.434 3.785 40 10 HHCBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)NC1=S ZINC000409165893 560686184 /nfs/dbraw/zinc/68/61/84/560686184.db2.gz ABHHLAWZPLBVCI-FOWTUZBSSA-N 0 1 422.437 3.926 40 10 HHCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)NC2=S)cc1 ZINC000409221009 560698721 /nfs/dbraw/zinc/69/87/21/560698721.db2.gz JFGGFWLFJZBJNR-QGOAFFKASA-N 0 1 409.511 3.835 40 10 HHCBMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409247834 560701757 /nfs/dbraw/zinc/70/17/57/560701757.db2.gz OFUNQZVQIAIENN-FMIVXFBMSA-N 0 1 407.278 3.833 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OCC ZINC000409249000 560701971 /nfs/dbraw/zinc/70/19/71/560701971.db2.gz IVAIOYRFAMWSQL-SFQUDFHCSA-N 0 1 424.522 3.932 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)c3ccccc3OCc3ccccc3)cc2)CC1 ZINC000218989022 568485671 /nfs/dbraw/zinc/48/56/71/568485671.db2.gz NAKSOAQKNJNTCK-UHFFFAOYSA-N 0 1 415.537 3.947 40 10 HHCBMN O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)cc(Cl)c1O ZINC000058865564 568699189 /nfs/dbraw/zinc/69/91/89/568699189.db2.gz MHFLEQNRTOALLX-UHFFFAOYSA-N 0 1 401.640 3.952 40 10 HHCBMN COc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)NC2=S)cc1 ZINC000059138117 568701427 /nfs/dbraw/zinc/70/14/27/568701427.db2.gz OZEUNMQFTYEQKQ-GHRIWEEISA-N 0 1 411.483 3.950 40 10 HHCBMN CCc1ccccc1N1C(=O)/C(=C\c2c(C)n(C)c3ccccc23)C(=O)NC1=S ZINC000059678453 568709923 /nfs/dbraw/zinc/70/99/23/568709923.db2.gz CNRKBTKOLJQMEF-AQTBWJFISA-N 0 1 403.507 3.880 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 ZINC000008237075 569359991 /nfs/dbraw/zinc/35/99/91/569359991.db2.gz HSQMUJPWMYEHRY-XSFVSMFZSA-N 0 1 418.424 3.875 40 10 HHCBMN CC(C)Oc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033655059 569360394 /nfs/dbraw/zinc/36/03/94/569360394.db2.gz JZWJCOWQGFDPGC-WJDWOHSUSA-N 0 1 401.260 3.698 40 10 HHCBMN CC[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC ZINC000033914319 569360617 /nfs/dbraw/zinc/36/06/17/569360617.db2.gz WGPXLMVFQWAAHT-MFVBVHDHSA-N 0 1 400.862 3.987 40 10 HHCBMN COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)c1 ZINC000108926947 569361341 /nfs/dbraw/zinc/36/13/41/569361341.db2.gz OBTAMTZQWBQTPB-ATVHPVEESA-N 0 1 422.824 3.848 40 10 HHCBMN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000032099478 521924779 /nfs/dbraw/zinc/92/47/79/521924779.db2.gz QPSVTHYGMACVFP-PDGQHHTCSA-N 0 1 422.824 3.848 40 10 HHCBMN Cc1cc(C)cc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000408550493 557429028 /nfs/dbraw/zinc/42/90/28/557429028.db2.gz HIYMRBVTQIUQKX-ZROIWOOFSA-N 0 1 403.866 3.840 40 10 HHCBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2)C1=O ZINC000408807199 560642757 /nfs/dbraw/zinc/64/27/57/560642757.db2.gz CIQBRTLOBHASSA-LFIBNONCSA-N 0 1 416.886 3.579 40 10 HHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Cc1cc(C)cc(C)c1 ZINC000408878228 560649661 /nfs/dbraw/zinc/64/96/61/560649661.db2.gz YNFYIJSHQVRLJT-UHFFFAOYSA-N 0 1 412.873 3.696 40 10 HHCBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccccn2)o1 ZINC000408989943 560662087 /nfs/dbraw/zinc/66/20/87/560662087.db2.gz JLRVLFKGIMKPGM-NTCAYCPXSA-N 0 1 407.476 3.657 40 10 HHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1 ZINC000409236538 560699105 /nfs/dbraw/zinc/69/91/05/560699105.db2.gz RUZGCMOCIGYAPL-XMHGGMMESA-N 0 1 401.491 3.925 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409239721 560699768 /nfs/dbraw/zinc/69/97/68/560699768.db2.gz DLOMAIOUMLJRFW-LFIBNONCSA-N 0 1 410.495 3.542 40 10 HHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)c1 ZINC000409240619 560700062 /nfs/dbraw/zinc/70/00/62/560700062.db2.gz HERMYCVOKXBMDD-XYOKQWHBSA-N 0 1 421.341 3.959 40 10 HHCBMN Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2F)C(=O)NC1=S ZINC000409234393 560700922 /nfs/dbraw/zinc/70/09/22/560700922.db2.gz WHXRDVANZDYPSI-DTQAZKPQSA-N 0 1 405.454 3.756 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409234283 560700941 /nfs/dbraw/zinc/70/09/41/560700941.db2.gz KCNHYBOXBZFMGO-JLHYYAGUSA-N 0 1 416.886 3.579 40 10 HHCBMN O=C(NN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S)c1cccs1 ZINC000409344835 560712199 /nfs/dbraw/zinc/71/21/99/560712199.db2.gz HNEBSIBBYNUZEN-FOWTUZBSSA-N 0 1 415.565 3.895 40 10 HHCBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OC ZINC000409346932 560713056 /nfs/dbraw/zinc/71/30/56/560713056.db2.gz OVFQABKAYZCVAZ-XNTDXEJSSA-N 0 1 420.537 3.702 40 10 HHCBMN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000225435093 568637783 /nfs/dbraw/zinc/63/77/83/568637783.db2.gz WYKMGACHHHJWTA-FQEVSTJZSA-N 0 1 409.574 3.954 40 10 HHCBMN CN1CCN(c2ccc(CNC(=S)Nc3ccc(Br)cc3)cc2)CC1 ZINC000225775835 568673532 /nfs/dbraw/zinc/67/35/32/568673532.db2.gz SOFGTIYMHYEMTD-UHFFFAOYSA-N 0 1 419.392 3.688 40 10 HHCBMN COc1ccc(N2CCN(C[C@@H](O)CO[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)CC2)cc1 ZINC000020109685 558334832 /nfs/dbraw/zinc/33/48/32/558334832.db2.gz YXWLUFJYUXOUAJ-IVGWJTKZSA-N 0 1 404.595 3.656 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1OC(C)C ZINC000409010122 560665244 /nfs/dbraw/zinc/66/52/44/560665244.db2.gz DMJWEVRRJWHLAB-LDADJPATSA-N 0 1 424.522 3.931 40 10 HHCBMN CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)cc1 ZINC000409024502 560667847 /nfs/dbraw/zinc/66/78/47/560667847.db2.gz ZGIMHMRHDOSXKP-XSFVSMFZSA-N 0 1 417.490 3.577 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409238673 560699532 /nfs/dbraw/zinc/69/95/32/560699532.db2.gz LMJMQIHNEFACQZ-MHWRWJLKSA-N 0 1 420.412 3.935 40 10 HHCBMN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1 ZINC000409239289 560699688 /nfs/dbraw/zinc/69/96/88/560699688.db2.gz PEIMSULDCASWKY-XMHGGMMESA-N 0 1 401.491 3.925 40 10 HHCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C ZINC000409241339 560702351 /nfs/dbraw/zinc/70/23/51/560702351.db2.gz RIRCPQXSHQWLKM-CXUHLZMHSA-N 0 1 421.444 3.975 40 10 HHCBMN CCOC(=O)c1ccc(NC(C)=C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000112287877 560778005 /nfs/dbraw/zinc/77/80/05/560778005.db2.gz BHSNFJYHBARZJT-UYRXBGFRSA-N 0 1 408.414 3.880 40 10 HHCBMN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217035418 568470531 /nfs/dbraw/zinc/47/05/31/568470531.db2.gz GFIUKXPYTPRHTL-OAQYLSRUSA-N 0 1 401.938 3.566 40 10 HHCBMN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000223036527 568535135 /nfs/dbraw/zinc/53/51/35/568535135.db2.gz QZUBEZAHGZIXOX-JOCHJYFZSA-N 0 1 415.965 3.874 40 10 HHCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000210800456 569007663 /nfs/dbraw/zinc/00/76/63/569007663.db2.gz ROKASFPBXCLVPR-QGOAFFKASA-N 0 1 407.882 3.962 40 10 HHCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)C(=O)NC2=S)cc1 ZINC000006351038 569359862 /nfs/dbraw/zinc/35/98/62/569359862.db2.gz ULPKBJFQCGULFL-HMMYKYKNSA-N 0 1 407.539 3.927 40 10 HHCBMN CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4ccc(N(C)C)cc4)C3)nc2c1 ZINC000049169118 291250034 /nfs/dbraw/zinc/25/00/34/291250034.db2.gz LOFIKSLERIWCML-KRWDZBQOSA-N 0 1 413.543 3.677 40 10 biogenic,in-vitro HHCBMN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000006733363 557718258 /nfs/dbraw/zinc/71/82/58/557718258.db2.gz GVKSHCBASMBUPR-UHFFFAOYSA-N 0 1 420.490 3.845 40 10 HHCBMN CN1CCN(Cc2cc(Cc3c[nH]c4cc5ccccc5cc4c3=O)ccc2O)CC1 ZINC000022942508 558527775 /nfs/dbraw/zinc/52/77/75/558527775.db2.gz XGWOBGNVJLRKCS-UHFFFAOYSA-N 0 1 413.521 3.725 40 10 HHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C ZINC000408786395 560641716 /nfs/dbraw/zinc/64/17/16/560641716.db2.gz JGCXBVZXJPPHAD-NTUHNPAUSA-N 0 1 408.310 3.780 40 10 HHCBMN Cc1ccc(COc2ccc3ccccc3c2C=C2C(=O)NC(=O)NC2=O)cc1C ZINC000408800747 560642262 /nfs/dbraw/zinc/64/22/62/560642262.db2.gz PCWUHULCNHCYPT-UHFFFAOYSA-N 0 1 400.434 3.785 40 10 HHCBMN CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)NC2=S)c1 ZINC000408857423 560647447 /nfs/dbraw/zinc/64/74/47/560647447.db2.gz OAOUNTBVQBBCNK-HMMYKYKNSA-N 0 1 417.490 3.707 40 10 HHCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] ZINC000408853798 560647650 /nfs/dbraw/zinc/64/76/50/560647650.db2.gz SHILPFOQYNBRHI-CSKARUKUSA-N 0 1 422.249 3.733 40 10 HHCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)C(=O)NC1=S ZINC000408962601 560658562 /nfs/dbraw/zinc/65/85/62/560658562.db2.gz ZPRRVTAEIMZGBD-XDJHFCHBSA-N 0 1 405.523 3.681 40 10 HHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)c1 ZINC000408990375 560662178 /nfs/dbraw/zinc/66/21/78/560662178.db2.gz KWQOVIZDAHUKFY-FOWTUZBSSA-N 0 1 421.503 3.966 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1C ZINC000409093556 560674469 /nfs/dbraw/zinc/67/44/69/560674469.db2.gz AIOUSJPLWLYNAK-LDADJPATSA-N 0 1 423.513 3.874 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(OCC)c1 ZINC000409239441 560699692 /nfs/dbraw/zinc/69/96/92/560699692.db2.gz MTMVZYULJKFYPB-SFQUDFHCSA-N 0 1 410.495 3.624 40 10 HHCBMN COc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S ZINC000409349082 560713394 /nfs/dbraw/zinc/71/33/94/560713394.db2.gz ULQDCQQYTMIZEK-OQLLNIDSSA-N 0 1 418.452 3.723 40 10 HHCBMN CCCOc1ccccc1/C=C1\C(=O)NN(c2ccc(Br)cc2)C1=O ZINC000003068589 560732949 /nfs/dbraw/zinc/73/29/49/560732949.db2.gz HKOSWRKZHFMOBJ-FOWTUZBSSA-N 0 1 401.260 3.699 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CSCc3ccccc3Cl)cc2)CC1 ZINC000216928881 568469255 /nfs/dbraw/zinc/46/92/55/568469255.db2.gz SNCNJWIWMWDNQB-UHFFFAOYSA-N 0 1 403.979 3.641 40 10 HHCBMN C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000219052422 568486412 /nfs/dbraw/zinc/48/64/12/568486412.db2.gz LBXJMOFMGNLUFO-IBGZPJMESA-N 0 1 403.526 3.675 40 10 HHCBMN C[C@]1(O)CCN(Cc2cc(Br)ccc2O)C[C@@H]1Oc1cccc(F)c1 ZINC000257283688 568799620 /nfs/dbraw/zinc/79/96/20/568799620.db2.gz OZJPBVHVUYYTJS-OALUTQOASA-N 0 1 410.283 3.698 40 10 HHCBMN COc1ccc(N2CCN(C[C@@H](O)CCO[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1 ZINC000057646667 568927971 /nfs/dbraw/zinc/92/79/71/568927971.db2.gz AJDHPXQJIJMMJH-YTWNAQTBSA-N 0 1 416.606 3.800 40 10 HHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000034714306 569360560 /nfs/dbraw/zinc/36/05/60/569360560.db2.gz LYCUQSCFKFVWGI-ZHZULCJRSA-N 0 1 415.405 3.635 40 10 HHCBMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)C(=O)NC2=S)c1 ZINC000005654387 132307343 /nfs/dbraw/zinc/30/73/43/132307343.db2.gz IBLMGUCEHDCLFB-UNOMPAQXSA-N 0 1 410.495 3.704 40 10 HHCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1N1CCCC1 ZINC000032116684 526091809 /nfs/dbraw/zinc/09/18/09/526091809.db2.gz CVXCJEYXEKRFKN-AQTBWJFISA-N 0 1 408.527 3.817 40 10 HHCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000408547107 557369928 /nfs/dbraw/zinc/36/99/28/557369928.db2.gz XVCWOZHYLOHGKB-UYRXBGFRSA-N 0 1 403.394 3.646 40 10 HHCBMN Cc1cc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1F ZINC000408551974 557440657 /nfs/dbraw/zinc/44/06/57/557440657.db2.gz QGVMFROANUPYAU-WQLSENKSSA-N 0 1 407.829 3.670 40 10 HHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)o1 ZINC000408810876 560643981 /nfs/dbraw/zinc/64/39/81/560643981.db2.gz LLAISCLENCTRDO-RVDMUPIBSA-N 0 1 403.891 3.611 40 10 HHCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)o2)C(=O)NC1=S ZINC000409098445 560676229 /nfs/dbraw/zinc/67/62/29/560676229.db2.gz QHPWKDJBFNIANX-SDNWHVSQSA-N 0 1 415.902 3.673 40 10 HHCBMN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)c1C ZINC000409127952 560681262 /nfs/dbraw/zinc/68/12/62/560681262.db2.gz RCUWNEXBTMGIPU-NTUHNPAUSA-N 0 1 421.341 3.959 40 10 HHCBMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409137250 560682671 /nfs/dbraw/zinc/68/26/71/560682671.db2.gz WDMQWBLSBSETKF-XNTDXEJSSA-N 0 1 400.887 3.797 40 10 HHCBMN COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 ZINC000409201263 560692920 /nfs/dbraw/zinc/69/29/20/560692920.db2.gz PADTUNHSMQYSCJ-MOSHPQCFSA-N 0 1 407.470 3.507 40 10 HHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)ccc1OC(C)C ZINC000409242127 560702464 /nfs/dbraw/zinc/70/24/64/560702464.db2.gz MKCVYYDAVLSXCX-GZTJUZNOSA-N 0 1 424.522 3.931 40 10 HHCBMN CN(C)c1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1Br ZINC000001083216 560727099 /nfs/dbraw/zinc/72/70/99/560727099.db2.gz YPXGYMPRVZXXRU-RIYZIHGNSA-N 0 1 420.694 3.630 40 10 HHCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)C1=O ZINC000005947685 560739114 /nfs/dbraw/zinc/73/91/14/560739114.db2.gz ZEZTWHAOWXSQKB-RIYZIHGNSA-N 0 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RPNNSZZMDWAMHS-XNTDXEJSSA-N 0 1 420.537 3.702 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CCCOc3ccc(Cl)cc3)cc2)CC1 ZINC000216946773 568469742 /nfs/dbraw/zinc/46/97/42/568469742.db2.gz OLLUPCOUPHBAQP-UHFFFAOYSA-N 0 1 401.938 3.567 40 10 HHCBMN Cc1cc(O[C@@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(C)c1Cl ZINC000216946430 568469767 /nfs/dbraw/zinc/46/97/67/568469767.db2.gz FEYJOVOXPNJEKF-SFHVURJKSA-N 0 1 415.965 3.792 40 10 HHCBMN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000219036891 568486128 /nfs/dbraw/zinc/48/61/28/568486128.db2.gz SMCLVJVFOOZGAR-LJQANCHMSA-N 0 1 403.526 3.675 40 10 HHCBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1F ZINC000058823237 568699788 /nfs/dbraw/zinc/69/97/88/568699788.db2.gz YTXJQNUUHZXOBU-UHFFFAOYSA-N 0 1 404.781 3.656 40 10 HHCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1 ZINC000033653670 569360374 /nfs/dbraw/zinc/36/03/74/569360374.db2.gz SMLSWYRZZDPOBC-HKWRFOASSA-N 0 1 400.434 3.736 40 10 HHCBMN Cc1ccc(COc2c(Cl)cc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)cc1 ZINC000409049192 560669834 /nfs/dbraw/zinc/66/98/34/560669834.db2.gz VMZRLVNTYULCJE-UHFFFAOYSA-N 0 1 405.237 3.630 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1OC ZINC000409246560 560701543 /nfs/dbraw/zinc/70/15/43/560701543.db2.gz CUIULHVWNMTCRB-SFQUDFHCSA-N 0 1 410.495 3.659 40 10 HHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Cl ZINC000409243105 560702749 /nfs/dbraw/zinc/70/27/49/560702749.db2.gz YOWFLLBGCDLSRL-NTEUORMPSA-N 0 1 400.887 3.797 40 10 HHCBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1 ZINC000058823137 568699844 /nfs/dbraw/zinc/69/98/44/568699844.db2.gz XTJPXJSZOHGZTQ-UHFFFAOYSA-N 0 1 400.818 3.907 40 10 HHCBMN CCOc1cccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)NC2=S)c1 ZINC000059138543 568701519 /nfs/dbraw/zinc/70/15/19/568701519.db2.gz AUXBUQNOGSOOSV-GHRIWEEISA-N 0 1 411.483 3.950 40 10 HHCBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000005595463 568935663 /nfs/dbraw/zinc/93/56/63/568935663.db2.gz ROKASFPBXCLVPR-AQTBWJFISA-N 0 1 407.882 3.962 40 10 HHCBMN CC[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC ZINC000033914320 569360678 /nfs/dbraw/zinc/36/06/78/569360678.db2.gz WGPXLMVFQWAAHT-HNEYUBDGSA-N 0 1 400.862 3.987 40 10 HHCBMN O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c(O)ccc2c1C=CCC2 ZINC000005749906 557672811 /nfs/dbraw/zinc/67/28/11/557672811.db2.gz QLQUAZFCSMKOIJ-BOPFTXTBSA-N 0 1 400.356 3.832 40 10 HHCBMN CCOc1ccccc1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000015013420 558701224 /nfs/dbraw/zinc/70/12/24/558701224.db2.gz MMHCCRPMINXKCZ-KAMYIIQDSA-N 0 1 400.887 3.878 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1 ZINC000408844172 560646348 /nfs/dbraw/zinc/64/63/48/560646348.db2.gz BJSUZARVELBWHD-FMIVXFBMSA-N 0 1 407.278 3.833 40 10 HHCBMN CCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408867160 560648619 /nfs/dbraw/zinc/64/86/19/560648619.db2.gz JRQVPSUOEBHIAT-ZROIWOOFSA-N 0 1 416.886 3.579 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1 ZINC000408960212 560657824 /nfs/dbraw/zinc/65/78/24/560657824.db2.gz JQXJHDHMRDAYAV-HMMYKYKNSA-N 0 1 405.523 3.817 40 10 HHCBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 ZINC000409015505 560666425 /nfs/dbraw/zinc/66/64/25/560666425.db2.gz BISYGIRYNHUNRG-GHRIWEEISA-N 0 1 413.474 3.630 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OCC ZINC000409020434 560667484 /nfs/dbraw/zinc/66/74/84/560667484.db2.gz PHHRJNQPKVMSTP-LDADJPATSA-N 0 1 424.522 3.932 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c(C)c1 ZINC000409065289 560672232 /nfs/dbraw/zinc/67/22/32/560672232.db2.gz HJYAZQUHDWOIOD-SFQUDFHCSA-N 0 1 423.513 3.874 40 10 HHCBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)C(=O)NC1=S ZINC000409096410 560675860 /nfs/dbraw/zinc/67/58/60/560675860.db2.gz DEYAGDWFPMKPGR-XNTDXEJSSA-N 0 1 409.898 3.971 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1OC(C)C ZINC000409123652 560680010 /nfs/dbraw/zinc/68/00/10/560680010.db2.gz HGSFNXVTMRIHAQ-SFQUDFHCSA-N 0 1 424.522 3.931 40 10 HHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OC ZINC000409137136 560682685 /nfs/dbraw/zinc/68/26/85/560682685.db2.gz VGVMSZCBCSMZIH-LFIBNONCSA-N 0 1 410.495 3.542 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409228417 560698337 /nfs/dbraw/zinc/69/83/37/560698337.db2.gz AAABPGZVQUWTMY-MHWRWJLKSA-N 0 1 400.887 3.878 40 10 HHCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)NC2=S)cc1 ZINC000409375340 560716155 /nfs/dbraw/zinc/71/61/55/560716155.db2.gz JHFNAZUXKFSOEV-UKTHLTGXSA-N 0 1 421.341 3.904 40 10 HHCBMN CN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000001215346 560727856 /nfs/dbraw/zinc/72/78/56/560727856.db2.gz TZMUBDKRIJHQCF-NTEUORMPSA-N 0 1 420.694 3.630 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CSCc3c(F)cccc3Cl)cc2)CC1 ZINC000216931834 568469323 /nfs/dbraw/zinc/46/93/23/568469323.db2.gz PEQDGCANZPEQJS-UHFFFAOYSA-N 0 1 421.969 3.781 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)/C(=C/c3ccco3)c3ccccc3)cc2)CC1 ZINC000218109182 568475151 /nfs/dbraw/zinc/47/51/51/568475151.db2.gz AHMKIEKWHZVAMH-HKOYGPOVSA-N 0 1 401.510 3.888 40 10 HHCBMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1cccc(I)c1 ZINC000033436481 568696970 /nfs/dbraw/zinc/69/69/70/568696970.db2.gz IQBDEQCLKVOAGP-AUWJEWJLSA-N 0 1 407.211 3.719 40 10 HHCBMN CCOc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000408553144 557442413 /nfs/dbraw/zinc/44/24/13/557442413.db2.gz XXJRIKWSXZIHAQ-UVTDQMKNSA-N 0 1 419.865 3.622 40 10 HHCBMN CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccc(C)c(C)c2)C1=O ZINC000005475704 557655926 /nfs/dbraw/zinc/65/59/26/557655926.db2.gz SNBWDCOJMFZURA-BOPFTXTBSA-N 0 1 415.287 3.926 40 10 HHCBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)NC1=S ZINC000409074213 560673653 /nfs/dbraw/zinc/67/36/53/560673653.db2.gz KZFNIXHFSSDMSI-GHRIWEEISA-N 0 1 423.513 3.820 40 10 HHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C ZINC000409220951 560698768 /nfs/dbraw/zinc/69/87/68/560698768.db2.gz IHIWESCOXUVQDS-OQLLNIDSSA-N 0 1 420.412 3.854 40 10 HHCBMN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409232565 560700536 /nfs/dbraw/zinc/70/05/36/560700536.db2.gz RGASVYTXCDEKJR-XNTDXEJSSA-N 0 1 400.887 3.797 40 10 HHCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000409245346 560701422 /nfs/dbraw/zinc/70/14/22/560701422.db2.gz RGKOOFQCFJFHSS-RVDMUPIBSA-N 0 1 400.887 3.959 40 10 HHCBMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)C(=O)NC2=S)cc1 ZINC000409246801 560701608 /nfs/dbraw/zinc/70/16/08/560701608.db2.gz BJBQORXRNJPPEV-NTEUORMPSA-N 0 1 419.300 3.997 40 10 HHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409241302 560702317 /nfs/dbraw/zinc/70/23/17/560702317.db2.gz QYGTVBQFIGDCHA-CPNJWEJPSA-N 0 1 416.506 3.629 40 10 HHCBMN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000409243472 560702745 /nfs/dbraw/zinc/70/27/45/560702745.db2.gz YYMJGQZBVKLBKN-XMHGGMMESA-N 0 1 401.491 3.925 40 10 HHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409243626 560702838 /nfs/dbraw/zinc/70/28/38/560702838.db2.gz XEOWPFJHXSTMKH-DHZHZOJOSA-N 0 1 407.278 3.833 40 10 HHCBMN Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)c1 ZINC000409373906 560717050 /nfs/dbraw/zinc/71/70/50/560717050.db2.gz WTFPTAWYYHQHNO-FYJGNVAPSA-N 0 1 416.433 3.829 40 10 HHCBMN Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)cc1 ZINC000409373338 560717065 /nfs/dbraw/zinc/71/70/65/560717065.db2.gz HDJPZYPIRYRPEA-GZTJUZNOSA-N 0 1 408.435 3.994 40 10 HHCBMN C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000219052342 568486404 /nfs/dbraw/zinc/48/64/04/568486404.db2.gz LBXJMOFMGNLUFO-LJQANCHMSA-N 0 1 403.526 3.675 40 10 HHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccccc1Cl ZINC000107984689 569353214 /nfs/dbraw/zinc/35/32/14/569353214.db2.gz JEDFJGRJRHDJPI-NTMALXAHSA-N 0 1 410.257 3.876 40 10 HHCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 ZINC000035419926 569360759 /nfs/dbraw/zinc/36/07/59/569360759.db2.gz NUROXUTXYLAIGI-ZHZULCJRSA-N 0 1 418.424 3.875 40 10 HHCBMN CC(C)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000408605971 557518078 /nfs/dbraw/zinc/51/80/78/557518078.db2.gz ZONJBLJJNGGSQN-YBEGLDIGSA-N 0 1 415.287 3.945 40 10 HHCBMN Cc1nn(C)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(Br)cc2C)c1=O ZINC000408757763 558786346 /nfs/dbraw/zinc/78/63/46/558786346.db2.gz QVNKTFRQOVCAGV-OQLLNIDSSA-N 0 1 402.296 3.826 40 10 HHCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000083313389 558833583 /nfs/dbraw/zinc/83/35/83/558833583.db2.gz ZWFMNSIMMWZUKU-XDHOZWIPSA-N 0 1 420.396 3.660 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)NC2=S)cc1Cl ZINC000408818678 560644994 /nfs/dbraw/zinc/64/49/94/560644994.db2.gz QBHKSGGVKDUPPA-CXUHLZMHSA-N 0 1 409.898 3.971 40 10 HHCBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000408859076 560648238 /nfs/dbraw/zinc/64/82/38/560648238.db2.gz VWSFZZDMYJABOG-DHZHZOJOSA-N 0 1 422.249 3.733 40 10 HHCBMN CCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408879766 560649306 /nfs/dbraw/zinc/64/93/06/560649306.db2.gz DBWNBTIYNCGPLF-VBKFSLOCSA-N 0 1 400.887 3.960 40 10 HHCBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000408953939 560657310 /nfs/dbraw/zinc/65/73/10/560657310.db2.gz QSHTZMXHEXJXOG-XMHGGMMESA-N 0 1 417.490 3.626 40 10 HHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)c1 ZINC000408960079 560657714 /nfs/dbraw/zinc/65/77/14/560657714.db2.gz JDEVLJFTSOIFID-XSFVSMFZSA-N 0 1 405.523 3.735 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccn4)o3)C(=O)NC2=S)cc1 ZINC000408991981 560662365 /nfs/dbraw/zinc/66/23/65/560662365.db2.gz PLBQCWLZZIACCY-FOWTUZBSSA-N 0 1 421.503 3.966 40 10 HHCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)cc1 ZINC000409020707 560666736 /nfs/dbraw/zinc/66/67/36/560666736.db2.gz SGXSEZWCZPCABE-QGOAFFKASA-N 0 1 404.447 3.787 40 10 HHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1 ZINC000409096216 560675789 /nfs/dbraw/zinc/67/57/89/560675789.db2.gz JTHQQQXTUOBTAI-SDNWHVSQSA-N 0 1 417.918 3.919 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)c(C)c1 ZINC000409125814 560680967 /nfs/dbraw/zinc/68/09/67/560680967.db2.gz ADBRVZGBUQKWLA-LBAFEDMOSA-N 0 1 405.523 3.757 40 10 HHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC ZINC000409130530 560681694 /nfs/dbraw/zinc/68/16/94/560681694.db2.gz ILQITVMVTWVGPE-LFIBNONCSA-N 0 1 410.495 3.542 40 10 HHCBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)C(=O)NC1=S ZINC000409173118 560686721 /nfs/dbraw/zinc/68/67/21/560686721.db2.gz KBTCXLQRVMGXDH-SFQUDFHCSA-N 0 1 424.522 3.967 40 10 HHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1 ZINC000409227126 560698188 /nfs/dbraw/zinc/69/81/88/560698188.db2.gz PAXLHHMBXGMYLE-SFQUDFHCSA-N 0 1 423.513 3.874 40 10 HHCBMN COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc([N+](=O)[O-])c1O ZINC000409341298 560711440 /nfs/dbraw/zinc/71/14/40/560711440.db2.gz BAHYBQNMIQVFKU-ZSOIEALJSA-N 0 1 406.416 3.854 40 10 HHCBMN CCOC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000005947929 560739152 /nfs/dbraw/zinc/73/91/52/560739152.db2.gz QNSJWESXHAHWQI-LDADJPATSA-N 0 1 423.469 3.839 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1 ZINC000033653671 568697998 /nfs/dbraw/zinc/69/79/98/568697998.db2.gz SMLSWYRZZDPOBC-HMMYKYKNSA-N 0 1 400.434 3.736 40 10 HHCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000059135794 568701006 /nfs/dbraw/zinc/70/10/06/568701006.db2.gz SXZYVIAKMALESO-JXMROGBWSA-N 0 1 421.247 3.965 40 10 HHCBMN Cc1ccc(Oc2ccc(NC=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)cc2)cc1 ZINC000109348914 569353788 /nfs/dbraw/zinc/35/37/88/569353788.db2.gz VUQSMUATTPZRQZ-MOSHPQCFSA-N 0 1 417.421 3.955 40 10 HHCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1F ZINC000034846194 569360558 /nfs/dbraw/zinc/36/05/58/569360558.db2.gz DKWALLQWQNDRSB-RGEXLXHISA-N 0 1 418.424 3.875 40 10 HHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000107677200 569360959 /nfs/dbraw/zinc/36/09/59/569360959.db2.gz PPXSDJOCDWIZQJ-QINSGFPZSA-N 0 1 402.435 3.769 40 10 HHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001154534 557213203 /nfs/dbraw/zinc/21/32/03/557213203.db2.gz SHMZNOXQGMYZKM-LFIBNONCSA-N 0 1 408.801 3.500 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1Cl ZINC000408768667 560638791 /nfs/dbraw/zinc/63/87/91/560638791.db2.gz ZWGZQIFRPJVZIV-XNTDXEJSSA-N 0 1 416.886 3.579 40 10 HHCBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000408955692 560657475 /nfs/dbraw/zinc/65/74/75/560657475.db2.gz YOFUCYHOMJDCMH-XSFVSMFZSA-N 0 1 417.490 3.626 40 10 HHCBMN Cc1cccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)c1C ZINC000409143622 560684269 /nfs/dbraw/zinc/68/42/69/560684269.db2.gz MUEYNXBWLISHLH-FYGXEABWSA-N 0 1 407.451 3.599 40 10 HHCBMN CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC(C)C)C(=O)NC2=S)cc1 ZINC000409383256 560717469 /nfs/dbraw/zinc/71/74/69/560717469.db2.gz SUPOSYPGKIAUQO-QGOAFFKASA-N 0 1 424.522 3.876 40 10 HHCBMN Cc1cc(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc(C)c1Cl ZINC000216946448 568469800 /nfs/dbraw/zinc/46/98/00/568469800.db2.gz FEYJOVOXPNJEKF-GOSISDBHSA-N 0 1 415.965 3.792 40 10 HHCBMN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000223036583 568535174 /nfs/dbraw/zinc/53/51/74/568535174.db2.gz QZUBEZAHGZIXOX-QFIPXVFZSA-N 0 1 415.965 3.874 40 10 HHCBMN COc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC000225776255 568673505 /nfs/dbraw/zinc/67/35/05/568673505.db2.gz GLPDUAZLSMAJKN-UHFFFAOYSA-N 0 1 404.967 3.587 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(F)cc1 ZINC000008495342 569360105 /nfs/dbraw/zinc/36/01/05/569360105.db2.gz NUROXUTXYLAIGI-XSFVSMFZSA-N 0 1 418.424 3.875 40 10 HHCBMN CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000034881357 569360652 /nfs/dbraw/zinc/36/06/52/569360652.db2.gz IVQRVOUEKJOALO-ATTDUZETSA-N 0 1 400.862 3.987 40 10 HHCBMN CC[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC ZINC000033914317 569360674 /nfs/dbraw/zinc/36/06/74/569360674.db2.gz WGPXLMVFQWAAHT-GPLLRDDGSA-N 0 1 400.862 3.987 40 10 HHCBMN CC(C)(C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000108215200 569361205 /nfs/dbraw/zinc/36/12/05/569361205.db2.gz OEUCTKUDRWGMBJ-GDNBJRDFSA-N 0 1 415.833 3.887 40 10 HHCBMN CN1C(=O)NC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000032107167 523716821 /nfs/dbraw/zinc/71/68/21/523716821.db2.gz OKJIIXNCCUXFRS-YRNVUSSQSA-N 0 1 420.175 3.549 40 10 HHCBMN Cc1ccccc1Oc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000408547109 557370324 /nfs/dbraw/zinc/37/03/24/557370324.db2.gz YCQQGBRASUMCFA-UYRXBGFRSA-N 0 1 417.421 3.955 40 10 HHCBMN Cc1ccc(F)cc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408553101 557442470 /nfs/dbraw/zinc/44/24/70/557442470.db2.gz XGNPRBGUTXXMPC-WQLSENKSSA-N 0 1 407.829 3.670 40 10 HHCBMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408743223 557808227 /nfs/dbraw/zinc/80/82/27/557808227.db2.gz VMGBPDKJRXIMBA-XNTDXEJSSA-N 0 1 415.312 3.897 40 10 HHCBMN CC[C@H](C)n1nc(-c2ccc(N3CCN(c4ccc(OC)cc4)CC3)cc2)[nH]c1=O ZINC000064220073 558962412 /nfs/dbraw/zinc/96/24/12/558962412.db2.gz YJDVJBBIKKKAST-KRWDZBQOSA-N 0 1 407.518 3.545 40 10 HHCBMN C[C@@]1(O)CCN(Cc2ccccc2O)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289822 560031561 /nfs/dbraw/zinc/03/15/61/560031561.db2.gz IFDVNDJFNRWLKO-WPFOTENUSA-N 0 1 422.550 3.950 40 10 biogenic,in-vitro HHCBMN Cc1cccc(N2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)c1C ZINC000409124193 560680752 /nfs/dbraw/zinc/68/07/52/560680752.db2.gz ADIPZTPOFGVNKF-GRHJKWIASA-N 0 1 405.523 3.757 40 10 HHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)c1C ZINC000409129634 560681617 /nfs/dbraw/zinc/68/16/17/560681617.db2.gz VFFWUHRJMSXVKL-LDADJPATSA-N 0 1 423.513 3.874 40 10 HHCBMN COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1 ZINC000409227617 560698199 /nfs/dbraw/zinc/69/81/99/560698199.db2.gz QWERFIIVMZMYPP-LDADJPATSA-N 0 1 410.495 3.659 40 10 HHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 ZINC000409229628 560698551 /nfs/dbraw/zinc/69/85/51/560698551.db2.gz SBAZJXIHNVDYMQ-RVDMUPIBSA-N 0 1 417.918 3.919 40 10 HHCBMN CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000409240313 560699954 /nfs/dbraw/zinc/69/99/54/560699954.db2.gz SLDFSGHGZMHFIP-OWRQJNCQSA-N 0 1 411.914 3.794 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OCC ZINC000409246559 560701512 /nfs/dbraw/zinc/70/15/12/560701512.db2.gz CTYQMPFVRREMPF-FOWTUZBSSA-N 0 1 410.495 3.624 40 10 HHCBMN O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000409410309 560721255 /nfs/dbraw/zinc/72/12/55/560721255.db2.gz UZMXZDZGECNJNL-AOAKWNDQSA-N 0 1 410.429 3.767 40 10 HHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1C ZINC000002221245 560730925 /nfs/dbraw/zinc/73/09/25/560730925.db2.gz TXYAVTAGJAIFOI-XDHOZWIPSA-N 0 1 403.438 3.658 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CSCc3ccc(Cl)cc3)cc2)CC1 ZINC000216929070 568469337 /nfs/dbraw/zinc/46/93/37/568469337.db2.gz CXUUGJRPPLIBHS-UHFFFAOYSA-N 0 1 403.979 3.641 40 10 HHCBMN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000225435128 568637879 /nfs/dbraw/zinc/63/78/79/568637879.db2.gz WYKMGACHHHJWTA-HXUWFJFHSA-N 0 1 409.574 3.954 40 10 HHCBMN CCCCN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O ZINC000005866777 960792604 /nfs/dbraw/zinc/79/26/04/960792604.db2.gz WSIMACRLKNRRHT-PGMHBOJBSA-N 0 1 417.509 3.901 40 10 HHCBMN COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 ZINC000032099601 522083274 /nfs/dbraw/zinc/08/32/74/522083274.db2.gz BJGBWQNQEDGWDT-PDGQHHTCSA-N 0 1 422.824 3.848 40 10 HHCBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2)C(=O)NC1=S ZINC000408741807 557808919 /nfs/dbraw/zinc/80/89/19/557808919.db2.gz NWXJFQACWZBOMD-GXDHUFHOSA-N 0 1 401.285 3.589 40 10 HHCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Cl)c1O ZINC000038173630 558638722 /nfs/dbraw/zinc/63/87/22/558638722.db2.gz PZQVPAFQTJPUDU-SDQBBNPISA-N 0 1 406.822 3.865 40 10 HHCBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cccnc1 ZINC000408785909 560641490 /nfs/dbraw/zinc/64/14/90/560641490.db2.gz JPBCCITWOUWSEU-UDWIEESQSA-N 0 1 416.506 3.629 40 10 HHCBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408950487 560656823 /nfs/dbraw/zinc/65/68/23/560656823.db2.gz FMYPXGNCZSYFGZ-XSFVSMFZSA-N 0 1 417.490 3.626 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000409104909 560675623 /nfs/dbraw/zinc/67/56/23/560675623.db2.gz KYRCCXYUQWVHJO-RVDMUPIBSA-N 0 1 400.887 3.878 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000409131239 560681899 /nfs/dbraw/zinc/68/18/99/560681899.db2.gz MPWKHDYQKZDOPX-SFQUDFHCSA-N 0 1 424.522 3.932 40 10 HHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3F)C(=O)NC2=S)c1 ZINC000409239960 560699791 /nfs/dbraw/zinc/69/97/91/560699791.db2.gz OVXGHIBHTJXYAA-LDADJPATSA-N 0 1 423.513 3.874 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)NC2=S)cc1Cl ZINC000409247746 560701802 /nfs/dbraw/zinc/70/18/02/560701802.db2.gz NOTHCBYFHMLICD-RVDMUPIBSA-N 0 1 415.902 3.673 40 10 HHCBMN CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409252349 560703492 /nfs/dbraw/zinc/70/34/92/560703492.db2.gz XJHTUMIJSOYQHJ-YBEGLDIGSA-N 0 1 419.428 3.603 40 10 HHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1c(C)cccc1C ZINC000002224316 560730942 /nfs/dbraw/zinc/73/09/42/560730942.db2.gz KTJYMAUETRCRIG-UDWIEESQSA-N 0 1 417.465 3.966 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CSCc3cccc(Cl)c3)cc2)CC1 ZINC000216928977 568469297 /nfs/dbraw/zinc/46/92/97/568469297.db2.gz ISSWQEICAKIGHV-UHFFFAOYSA-N 0 1 403.979 3.641 40 10 HHCBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1O ZINC000059135862 568701041 /nfs/dbraw/zinc/70/10/41/568701041.db2.gz SVMFGOXWBUBGEU-UXBLZVDNSA-N 0 1 406.822 3.865 40 10 HHCBMN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)c(C)c1 ZINC000033654932 569360315 /nfs/dbraw/zinc/36/03/15/569360315.db2.gz HAZPKYWJKCFSIG-UYRXBGFRSA-N 0 1 402.406 3.503 40 10 HHCBMN CC[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000034839642 569360680 /nfs/dbraw/zinc/36/06/80/569360680.db2.gz KLMVZMKOXICUSW-YUSFRKCESA-N 0 1 415.833 3.887 40 10 HHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000107824003 569361114 /nfs/dbraw/zinc/36/11/14/569361114.db2.gz CVNSVYHMRISBBP-STZFKDTASA-N 0 1 415.405 3.635 40 10 HHCBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C ZINC000035109026 557348599 /nfs/dbraw/zinc/34/85/99/557348599.db2.gz SIEYNHNLICOJOO-WJDWOHSUSA-N 0 1 400.862 3.987 40 10 HHCBMN Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)c(C)c2)C(=O)NC1=S ZINC000408857349 560647389 /nfs/dbraw/zinc/64/73/89/560647389.db2.gz NVMCIHAXCNQHGX-JXAWBTAJSA-N 0 1 405.523 3.735 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)NC2=S)c(C)c1 ZINC000408960030 560657649 /nfs/dbraw/zinc/65/76/49/560657649.db2.gz IEIGGVQSHMFXAA-XMHGGMMESA-N 0 1 405.523 3.735 40 10 HHCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)NC2=S)cc1 ZINC000408961396 560658188 /nfs/dbraw/zinc/65/81/88/560658188.db2.gz SNDXMPQMPOHWDE-HMMYKYKNSA-N 0 1 405.523 3.681 40 10 HHCBMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000409129747 560681613 /nfs/dbraw/zinc/68/16/13/560681613.db2.gz UPXVPJBMYDXVSU-RGEXLXHISA-N 0 1 407.539 3.981 40 10 HHCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000409230667 560700189 /nfs/dbraw/zinc/70/01/89/560700189.db2.gz FFDNJTPGGAWZEU-DTQAZKPQSA-N 0 1 407.882 3.962 40 10 HHCBMN CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409250117 560702114 /nfs/dbraw/zinc/70/21/14/560702114.db2.gz WCENJJOSJPRWKQ-XNTDXEJSSA-N 0 1 420.412 3.935 40 10 HHCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001178131 560727573 /nfs/dbraw/zinc/72/75/73/560727573.db2.gz MJWFJHPMYDZYEC-SFQUDFHCSA-N 0 1 409.398 3.649 40 10 HHCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000108023815 569353322 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HHCBMN CCCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408883368 560650042 /nfs/dbraw/zinc/65/00/42/560650042.db2.gz UDAFVPAJOBBWSS-LGMDPLHJSA-N 0 1 410.495 3.705 40 10 HHCBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1OC(C)C ZINC000409009426 560665165 /nfs/dbraw/zinc/66/51/65/560665165.db2.gz FPMAOHRTLUBHEU-SFQUDFHCSA-N 0 1 424.522 3.931 40 10 HHCBMN CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409103764 560675519 /nfs/dbraw/zinc/67/55/19/560675519.db2.gz FSXSREAPWIGLAM-XNTDXEJSSA-N 0 1 401.919 3.918 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000409130564 560681733 /nfs/dbraw/zinc/68/17/33/560681733.db2.gz WKWNFADICZERHP-SFQUDFHCSA-N 0 1 424.522 3.932 40 10 HHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)ccc1OC ZINC000409239474 560699799 /nfs/dbraw/zinc/69/97/99/560699799.db2.gz NAKKWWRFIJLNDP-LFIBNONCSA-N 0 1 410.495 3.542 40 10 HHCBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000409246115 560701509 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/nfs/dbraw/zinc/64/84/60/560648460.db2.gz JDFCYHPNQAPTDY-ATVHPVEESA-N 0 1 410.495 3.704 40 10 HHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)c1 ZINC000408961389 560658157 /nfs/dbraw/zinc/65/81/57/560658157.db2.gz SKKQVFCZQLLYBC-HMMYKYKNSA-N 0 1 405.523 3.817 40 10 HHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 ZINC000408965962 560659133 /nfs/dbraw/zinc/65/91/33/560659133.db2.gz KLSLAGXACYYUGS-JLHYYAGUSA-N 0 1 421.881 3.750 40 10 HHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1C ZINC000409075761 560672960 /nfs/dbraw/zinc/67/29/60/560672960.db2.gz XRZIZQBYDPGAOR-SFQUDFHCSA-N 0 1 423.513 3.874 40 10 HHCBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)cc1 ZINC000409102745 560677490 /nfs/dbraw/zinc/67/74/90/560677490.db2.gz ZVFZGNXCECWYFH-QGOAFFKASA-N 0 1 423.513 3.820 40 10 HHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c2ccccc12 ZINC000409167090 560686317 /nfs/dbraw/zinc/68/63/17/560686317.db2.gz JHSUCEQECKEMSV-GHRIWEEISA-N 0 1 418.474 3.688 40 10 HHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1C ZINC000409236666 560699110 /nfs/dbraw/zinc/69/91/10/560699110.db2.gz SWHICSRIBWSHCH-LDADJPATSA-N 0 1 424.522 3.967 40 10 HHCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)NC1=S ZINC000409237466 560699421 /nfs/dbraw/zinc/69/94/21/560699421.db2.gz URUWRSPVGDWGIH-SFQUDFHCSA-N 0 1 409.486 3.566 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1Cl ZINC000409235731 560701171 /nfs/dbraw/zinc/70/11/71/560701171.db2.gz DISDZKNKECNGJP-WUXMJOGZSA-N 0 1 407.278 3.839 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(OCC)c1 ZINC000409246316 560701521 /nfs/dbraw/zinc/70/15/21/560701521.db2.gz AWZQVYJXRSWOGS-LDADJPATSA-N 0 1 424.522 3.932 40 10 HHCBMN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000216945789 568469804 /nfs/dbraw/zinc/46/98/04/568469804.db2.gz NZORMAFUJUJIBL-LJQANCHMSA-N 0 1 409.574 3.820 40 10 HHCBMN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217026102 568470313 /nfs/dbraw/zinc/47/03/13/568470313.db2.gz XCKLOIFNYZGSJG-HXUWFJFHSA-N 0 1 401.938 3.566 40 10 HHCBMN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217026147 568470325 /nfs/dbraw/zinc/47/03/25/568470325.db2.gz XCKLOIFNYZGSJG-FQEVSTJZSA-N 0 1 401.938 3.566 40 10 HHCBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000033316822 568696593 /nfs/dbraw/zinc/69/65/93/568696593.db2.gz YJEAPFWLHGWJPO-SFQUDFHCSA-N 0 1 409.398 3.649 40 10 HHCBMN CCOc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)NC2=S)cc1 ZINC000059138541 568701371 /nfs/dbraw/zinc/70/13/71/568701371.db2.gz QQESVOMGZJSTIL-GHRIWEEISA-N 0 1 411.483 3.950 40 10 HHCBMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000034881355 569360567 /nfs/dbraw/zinc/36/05/67/569360567.db2.gz IVQRVOUEKJOALO-YDRQLGOLSA-N 0 1 400.862 3.987 40 10 HHCBMN Cc1c(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc2n1C ZINC000408817258 560644659 /nfs/dbraw/zinc/64/46/59/560644659.db2.gz VNGVAIODNFEPOE-XDHOZWIPSA-N 0 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568816958 /nfs/dbraw/zinc/81/69/58/568816958.db2.gz ZQULNHJQKQMXPF-UHFFFAOYSA-N 0 1 402.922 3.947 40 10 HHCBMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC000005260067 569255612 /nfs/dbraw/zinc/25/56/12/569255612.db2.gz FOAWJDISHPCSHG-UHFFFAOYSA-N 0 1 412.423 3.635 40 10 HHCBMN CC[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC ZINC000033914318 569360655 /nfs/dbraw/zinc/36/06/55/569360655.db2.gz WGPXLMVFQWAAHT-VVBXCHJUSA-N 0 1 400.862 3.987 40 10 HHCBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc(F)c1 ZINC000035387816 569360707 /nfs/dbraw/zinc/36/07/07/569360707.db2.gz HSQMUJPWMYEHRY-ZHZULCJRSA-N 0 1 418.424 3.875 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)NC2=S)c(C)c1 ZINC000009263194 132337780 /nfs/dbraw/zinc/33/77/80/132337780.db2.gz RJHANYYDWUIERL-UYRXBGFRSA-N 0 1 417.490 3.631 40 10 HHCBMN COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)NC2=S)cc1 ZINC000009264492 536656757 /nfs/dbraw/zinc/65/67/57/536656757.db2.gz SWNOZLPYJPUIRE-HMMYKYKNSA-N 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HHCBMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000409017482 560665903 /nfs/dbraw/zinc/66/59/03/560665903.db2.gz WWYYQUVQEFHLES-ZHZULCJRSA-N 0 1 407.539 3.981 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(OCC)c1 ZINC000409147123 560683591 /nfs/dbraw/zinc/68/35/91/560683591.db2.gz VDZVIXWASGTRRX-LDADJPATSA-N 0 1 424.522 3.932 40 10 HHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409238519 560699511 /nfs/dbraw/zinc/69/95/11/560699511.db2.gz KVCFJNFCEFSCIF-OQLLNIDSSA-N 0 1 406.385 3.545 40 10 HHCBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000409242999 560702743 /nfs/dbraw/zinc/70/27/43/560702743.db2.gz UDLWJEARYZMMKV-ACCUITESSA-N 0 1 403.891 3.611 40 10 HHCBMN CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000217026511 568470298 /nfs/dbraw/zinc/47/02/98/568470298.db2.gz OFSBHIFTJQKMAB-OAQYLSRUSA-N 0 1 401.938 3.566 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000225339288 568630491 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410.257 3.876 40 10 HHCBMN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2c3c1cccc3C(=O)N(C)C2=O ZINC000013282649 558827071 /nfs/dbraw/zinc/82/70/71/558827071.db2.gz FPVUIAXJNODNCQ-UYRXBGFRSA-N 0 1 410.433 3.784 40 10 HHCBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc2c3c1cccc3C(=O)N(C)C2=O ZINC000013282649 558827073 /nfs/dbraw/zinc/82/70/73/558827073.db2.gz FPVUIAXJNODNCQ-UYRXBGFRSA-N 0 1 410.433 3.784 40 10 HHCBMN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000408961991 560658447 /nfs/dbraw/zinc/65/84/47/560658447.db2.gz WPQFIAMYASGEBF-GHRIWEEISA-N 0 1 409.486 3.566 40 10 HHCBMN CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409133636 560682062 /nfs/dbraw/zinc/68/20/62/560682062.db2.gz LXHBINJZQFLYKW-RGEXLXHISA-N 0 1 407.539 3.981 40 10 HHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)NC2=S)c1 ZINC000409229962 560698215 /nfs/dbraw/zinc/69/82/15/560698215.db2.gz AGUMXLCWVXPKCT-NTUHNPAUSA-N 0 1 421.341 3.959 40 10 HHCBMN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000409236478 560699150 /nfs/dbraw/zinc/69/91/50/560699150.db2.gz GXKJJZQJXIDDBG-NBVRZTHBSA-N 0 1 401.491 3.925 40 10 HHCBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)NC2=S)c1 ZINC000409240154 560699969 /nfs/dbraw/zinc/69/99/69/560699969.db2.gz OTTSMBCUOKOEPN-GHRIWEEISA-N 0 1 409.511 3.718 40 10 HHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409409405 560722788 /nfs/dbraw/zinc/72/27/88/560722788.db2.gz VBLVRMVNFIDTFL-STZFKDTASA-N 0 1 415.405 3.635 40 10 HHCBMN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000216928225 568469344 /nfs/dbraw/zinc/46/93/44/568469344.db2.gz MBKHMUQEPOOPCD-INIZCTEOSA-N 0 1 403.979 3.889 40 10 HHCBMN CN1CCN(c2ccc(CNC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 ZINC000218980119 568485514 /nfs/dbraw/zinc/48/55/14/568485514.db2.gz IJXZYKBZIQUTOZ-UHFFFAOYSA-N 0 1 415.537 3.947 40 10 HHCBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OC ZINC000059136154 568701500 /nfs/dbraw/zinc/70/15/00/568701500.db2.gz WZPHIPOFFOZUKA-JLHYYAGUSA-N 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523720678 /nfs/dbraw/zinc/72/06/78/523720678.db2.gz RMFBKSDFODEATG-WUXMJOGZSA-N 0 1 423.227 3.803 40 10 HHCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1C ZINC000015013418 558701151 /nfs/dbraw/zinc/70/11/51/558701151.db2.gz FCLIIVIIRRMRCR-UVTDQMKNSA-N 0 1 400.887 3.797 40 10 HHCBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O ZINC000015013450 558701228 /nfs/dbraw/zinc/70/12/28/558701228.db2.gz RKNAMSLPQDLZES-LCYFTJDESA-N 0 1 416.886 3.584 40 10 HHCBMN CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S ZINC000036617176 558737152 /nfs/dbraw/zinc/73/71/52/558737152.db2.gz AEQFBVMRTQJUPN-BAQGIRSFSA-N 0 1 409.124 3.748 40 10 HHCBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000408781629 560641454 /nfs/dbraw/zinc/64/14/54/560641454.db2.gz DBUFRNSDKUHCHU-QPEQYQDCSA-N 0 1 407.278 3.833 40 10 HHCBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)ccc1OC(C)C ZINC000409146410 560684676 /nfs/dbraw/zinc/68/46/76/560684676.db2.gz TZPWXWQMDCAWCC-GZTJUZNOSA-N 0 1 424.522 3.931 40 10 HHCBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000409168806 560686403 /nfs/dbraw/zinc/68/64/03/560686403.db2.gz TXOGJKKPJAIQQQ-LGMDPLHJSA-N 0 1 418.474 3.688 40 10 HHCBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1O ZINC000409232645 560700556 /nfs/dbraw/zinc/70/05/56/560700556.db2.gz AVQLQLOUTYTCKI-GZTJUZNOSA-N 0 1 410.495 3.746 40 10 HHCBMN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000223839403 568560433 /nfs/dbraw/zinc/56/04/33/568560433.db2.gz ZIJUTIVMGUPMIV-UHFFFAOYSA-N 0 1 409.463 3.813 40 10 HHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCCCOc2ccccc2)c1 ZINC000002180333 568932606 /nfs/dbraw/zinc/93/26/06/568932606.db2.gz DSRQDXUTSCWFBR-PTGBLXJZSA-N 0 1 414.461 3.996 40 10 HHCBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000408553076 557442478 /nfs/dbraw/zinc/44/24/78/557442478.db2.gz WXBVWOWIFILJJH-WQLSENKSSA-N 0 1 410.257 3.876 40 10 HHCBMN Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C(=O)NC2=S)cc1 ZINC000005895997 557679721 /nfs/dbraw/zinc/67/97/21/557679721.db2.gz KITZWLZQJGMAKN-XMHGGMMESA-N 0 1 407.495 3.503 40 10 HHCBMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(CC)C3=O)c2C)cc1 ZINC000005947700 557682236 /nfs/dbraw/zinc/68/22/36/557682236.db2.gz FPXPJLZMSVPVCC-LDADJPATSA-N 0 1 409.442 3.593 40 10 HHCBMN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br ZINC000408695106 557709935 /nfs/dbraw/zinc/70/99/35/557709935.db2.gz PIQVDWSVBKLFOU-NTEUORMPSA-N 0 1 421.291 3.641 40 10 HHCBMN Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000408740025 557805891 /nfs/dbraw/zinc/80/58/91/557805891.db2.gz CNRLBTHZPATINW-XNTDXEJSSA-N 0 1 415.312 3.897 40 10 HHCBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000015013666 558701200 /nfs/dbraw/zinc/70/12/00/558701200.db2.gz FVOYGOQGNZKTIN-CIAFOILYSA-N 0 1 417.465 3.966 40 10 HHCBMN CN1C(=O)/C(=C\c2cc(Br)cc(Br)c2O)SC1=S ZINC000083312698 558833537 /nfs/dbraw/zinc/83/35/37/558833537.db2.gz AEQFBVMRTQJUPN-FPYGCLRLSA-N 0 1 409.124 3.748 40 10 HHCBMN O=C1NC(=O)C(=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C(=O)N1 ZINC000408801073 560642278 /nfs/dbraw/zinc/64/22/78/560642278.db2.gz SLFBTMAAQRQVMO-UHFFFAOYSA-N 0 1 406.825 3.822 40 10 HHCBMN Cc1c(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc2n1C ZINC000408846755 560646559 /nfs/dbraw/zinc/64/65/59/560646559.db2.gz RSVCNLOZIZJDTO-PDGQHHTCSA-N 0 1 403.507 3.935 40 10 HHCBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)(C)C)c3C)C(=O)NC2=S)cc1 ZINC000409013967 560666237 /nfs/dbraw/zinc/66/62/37/560666237.db2.gz OFGDRHPHBGEWLB-LDADJPATSA-N 0 1 411.527 3.700 40 10 HHCBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1 ZINC000409100755 560677023 /nfs/dbraw/zinc/67/70/23/560677023.db2.gz SAWVTSXYYPNDFK-SFQUDFHCSA-N 0 1 409.486 3.566 40 10 HHCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000409229535 560698532 /nfs/dbraw/zinc/69/85/32/560698532.db2.gz QRFAQPAGHZHLLO-WYMLVPIESA-N 0 1 415.902 3.755 40 10 HHCBMN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000224213907 568574015 /nfs/dbraw/zinc/57/40/15/568574015.db2.gz JFDPEWLSWIMASQ-RUZDIDTESA-N 0 1 421.585 3.791 40 10 HHCBMN Cn1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)cc2sc1=O ZINC000225682785 568663953 /nfs/dbraw/zinc/66/39/53/568663953.db2.gz KNIYQBGMNVVWII-UHFFFAOYSA-N 0 1 424.503 3.632 40 10 HHCBMN COC(=O)Cc1c(C)c2ccc([O-])c(C[N@H+]3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2oc1=O ZINC000085877165 559057698 /nfs/dbraw/zinc/05/76/98/559057698.db2.gz FMZMZERQRMDNSC-OYLFLEFRSA-N 0 1 413.514 3.923 40 10 HHCBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1Cl ZINC000408771856 560639165 /nfs/dbraw/zinc/63/91/65/560639165.db2.gz JQXDOMYWZUFFBO-XNTDXEJSSA-N 0 1 400.887 3.878 40 10 HHCBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3C)C(=O)NC2=S)cc1 ZINC000408960234 560657856 /nfs/dbraw/zinc/65/78/56/560657856.db2.gz KAILITOIXSNUIF-XSFVSMFZSA-N 0 1 405.523 3.735 40 10 HHCBMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)o2)cc1 ZINC000409204185 560693988 /nfs/dbraw/zinc/69/39/88/560693988.db2.gz CXFPOTRCJSDUCY-AQTBWJFISA-N 0 1 422.437 3.528 40 10 HHCBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 ZINC000409248065 560701840 /nfs/dbraw/zinc/70/18/40/560701840.db2.gz JTRQEAHSVUFZLR-CXUHLZMHSA-N 0 1 420.412 3.854 40 10 HHCBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000002232209 560730936 /nfs/dbraw/zinc/73/09/36/560730936.db2.gz CEKDNPRHKGMOHV-FYJGNVAPSA-N 0 1 417.465 3.912 40 10 HHCBMN CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccco2)C1=O ZINC000107588270 569352716 /nfs/dbraw/zinc/35/27/16/569352716.db2.gz CXEICCMMLLTYFP-XDHOZWIPSA-N 0 1 404.422 3.882 40 10 HHCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12 ZINC000006258099 569359826 /nfs/dbraw/zinc/35/98/26/569359826.db2.gz MGJBMJTYOUOHHA-XSFVSMFZSA-N 0 1 415.449 3.695 40 10 HHCBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1cccc(Br)c1 ZINC000033777243 569360499 /nfs/dbraw/zinc/36/04/99/569360499.db2.gz BRBCAKKGIFOKJC-AQTBWJFISA-N 0 1 408.255 3.701 40 10 HHCBMN COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(C)cc3)C(=O)NC2=S)cc1 ZINC000009260347 536659085 /nfs/dbraw/zinc/65/90/85/536659085.db2.gz AWRQXBOSAOIJJF-ZHZULCJRSA-N 0 1 417.490 3.626 40 10 HHCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000083324772 558833660 /nfs/dbraw/zinc/83/36/60/558833660.db2.gz HYGOXJRZVVDATN-DEDYPNTBSA-N 0 1 402.406 3.521 40 10 HHCBMN O=C1C=CC(=NNc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2cccnc21 ZINC000104090618 559157839 /nfs/dbraw/zinc/15/78/39/559157839.db2.gz HFVBFGGESMZQHZ-VHXPQNKSSA-N 0 1 406.427 3.947 40 10 HHCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)NC1=S ZINC000408961050 560658136 /nfs/dbraw/zinc/65/81/36/560658136.db2.gz QKRZDQISNVPFAA-XDJHFCHBSA-N 0 1 405.523 3.817 40 10 HHCBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Br)o1 ZINC000409236165 560699061 /nfs/dbraw/zinc/69/90/61/560699061.db2.gz DOUGSIVFNSBAFK-VQHVLOKHSA-N 0 1 411.664 3.527 40 10 HHCBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)NC1=S ZINC000409239503 560699820 /nfs/dbraw/zinc/69/98/20/560699820.db2.gz NVOMHELAPFHGLT-QGOAFFKASA-N 0 1 423.513 3.956 40 10 HHCBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(C)C ZINC000409403695 560721808 /nfs/dbraw/zinc/72/18/08/560721808.db2.gz AQSCPZJSCIAGKV-YBEGLDIGSA-N 0 1 400.862 3.987 40 10 HHCBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000107914299 569353144 /nfs/dbraw/zinc/35/31/44/569353144.db2.gz HJDMUSLTNDRXQN-UDWIEESQSA-N 0 1 420.396 3.660 40 10 HHCBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC(C)(C)C ZINC000107837527 569361059 /nfs/dbraw/zinc/36/10/59/569361059.db2.gz XGCADVHDQKUJMP-GDNBJRDFSA-N 0 1 400.862 3.987 40 10 HHCBMN