smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(Cl)cn1 ZINC000408529796 557296031 /nfs/dbraw/zinc/29/60/31/557296031.db2.gz KARVZUXQEGMUGC-ZROIWOOFSA-N -1 0 405.683 4.524 40 10 HJCBRM CCOc1ccccc1C=C1SC(Nc2ccc(Cl)c(C(=O)[O-])c2)=NC1=O ZINC000005953790 557682348 /nfs/dbraw/zinc/68/23/48/557682348.db2.gz ZHJGHTRNTOKQFP-SXGWCWSVSA-N -1 0 402.859 4.519 40 10 HJCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408756102 557817818 /nfs/dbraw/zinc/81/78/18/557817818.db2.gz XOMCEGGHLIFTMH-DEDYPNTBSA-N -1 0 418.836 4.578 40 10 HJCBRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21 ZINC000409165027 560686089 /nfs/dbraw/zinc/68/60/89/560686089.db2.gz RESDWLSAMPAKRK-VEVIJQCQSA-N -1 0 417.246 4.816 40 10 HJCBRM Cc1cccc(COc2ccc(Cl)cc2/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1 ZINC000409399861 560720719 /nfs/dbraw/zinc/72/07/19/560720719.db2.gz OBZBLBIQYGBBCA-STZFKDTASA-N -1 0 418.880 4.689 40 10 HJCBRM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(Cl)cc(Cl)c1 ZINC000103919892 560735021 /nfs/dbraw/zinc/73/50/21/560735021.db2.gz ATEBHPYXIYCXRU-UNOMPAQXSA-N -1 0 418.280 4.645 40 10 HJCBRM CCN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000005947738 560739179 /nfs/dbraw/zinc/73/91/79/560739179.db2.gz WCLUUDMSENRBBT-WOJGMQOQSA-N -1 0 407.857 4.665 40 10 HJCBRM Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)cc1C ZINC000059104404 568700323 /nfs/dbraw/zinc/70/03/23/568700323.db2.gz XVTYGZNQIZSCFE-ZHZULCJRSA-N -1 0 405.523 4.575 40 10 HJCBRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000008842992 132333646 /nfs/dbraw/zinc/33/36/46/132333646.db2.gz DZPHHBDHKRDCJZ-CPNJWEJPSA-N -1 0 418.474 4.714 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408739809 557805709 /nfs/dbraw/zinc/80/57/09/557805709.db2.gz FVUJTCTWJZWTJQ-KGENOOAVSA-N -1 0 405.498 4.585 40 10 HJCBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccc(F)cc2)c1 ZINC000408760689 559275982 /nfs/dbraw/zinc/27/59/82/559275982.db2.gz DEYBKJXZKIROHI-KGENOOAVSA-N -1 0 400.409 4.667 40 10 HJCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000408913621 560653686 /nfs/dbraw/zinc/65/36/86/560653686.db2.gz MMUDCVDGCSCMFA-HYARGMPZSA-N -1 0 410.404 4.799 40 10 HJCBRM CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)C1=O ZINC000409018539 560666125 /nfs/dbraw/zinc/66/61/25/560666125.db2.gz HQXPDRMVUXVVRC-MKFNJMOCSA-N -1 0 412.511 4.936 40 10 HJCBRM CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409064818 560672194 /nfs/dbraw/zinc/67/21/94/560672194.db2.gz GOGZAFBAMHRXHG-HAHDFKILSA-N -1 0 412.445 4.770 40 10 HJCBRM CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409243950 560702893 /nfs/dbraw/zinc/70/28/93/560702893.db2.gz ZNERMLWOGZFUDS-ZGPWBKFBSA-N -1 0 422.550 4.819 40 10 HJCBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cccc(C)c1 ZINC000100525265 560725126 /nfs/dbraw/zinc/72/51/26/560725126.db2.gz YQWIAXFDNXYKDS-KGNHYALCSA-N -1 0 420.454 4.902 40 10 HJCBRM CC(=O)c1cccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)o2)c1 ZINC000059135438 568701032 /nfs/dbraw/zinc/70/10/32/568701032.db2.gz UFOAOXOPBXVEAM-XDHOZWIPSA-N -1 0 418.380 4.795 40 10 HJCBRM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000059861462 568709376 /nfs/dbraw/zinc/70/93/76/568709376.db2.gz NCMRSZSHOWJGDW-SFQUDFHCSA-N -1 0 408.454 4.608 40 10 HJCBRM O=C([O-])/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1 ZINC000007365543 569359993 /nfs/dbraw/zinc/35/99/93/569359993.db2.gz VUCBWHLQLDQJFA-LDADJPATSA-N -1 0 411.439 4.554 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21 ZINC000005739781 132307877 /nfs/dbraw/zinc/30/78/77/132307877.db2.gz YQDNPHWFPUCIOB-HMAPJEAMSA-N -1 0 410.404 4.799 40 10 HJCBRM O=C([O-])CN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=S ZINC000002830555 557398012 /nfs/dbraw/zinc/39/80/12/557398012.db2.gz MLOAJONWALNFPT-DHDCSXOGSA-N -1 0 421.952 4.777 40 10 HJCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000005371539 557647825 /nfs/dbraw/zinc/64/78/25/557647825.db2.gz VGBXXNGGZBJPNN-ZDLGFXPLSA-N -1 0 408.504 4.591 40 10 HJCBRM Cn1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)c1 ZINC000005373939 557648296 /nfs/dbraw/zinc/64/82/96/557648296.db2.gz VWARHNYYVSHZSK-SAPNQHFASA-N -1 0 408.589 4.822 40 10 HJCBRM CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000005374194 557648332 /nfs/dbraw/zinc/64/83/32/557648332.db2.gz MPKRQKMZUJJWBH-UZYWNZJBSA-N -1 0 404.340 4.694 40 10 HJCBRM O=C([O-])c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000009233981 557831228 /nfs/dbraw/zinc/83/12/28/557831228.db2.gz JKPDJPWIEDDMBN-RIYZIHGNSA-N -1 0 420.309 4.553 40 10 HJCBRM O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000004959447 560616620 /nfs/dbraw/zinc/61/66/20/560616620.db2.gz ZTCFLIAQZSENEG-SYTFOFBDSA-N -1 0 414.255 4.703 40 10 HJCBRM CC[C@@H](C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000408893544 560650391 /nfs/dbraw/zinc/65/03/91/560650391.db2.gz BAFGIYFWYWVWGB-VYVDHXHBSA-N -1 0 415.493 4.896 40 10 HJCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)[N-]C2=S)c1C ZINC000409014358 560666259 /nfs/dbraw/zinc/66/62/59/560666259.db2.gz XMBFWEVVSULYTC-LDADJPATSA-N -1 0 420.465 4.534 40 10 HJCBRM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000409246868 560701631 /nfs/dbraw/zinc/70/16/31/560701631.db2.gz KIKYFBFTONDJSG-ZFMLPXDISA-N -1 0 422.550 4.819 40 10 HJCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000409242378 560702631 /nfs/dbraw/zinc/70/26/31/560702631.db2.gz RMJCPVQPGGWZKW-XDHOZWIPSA-N -1 0 417.534 4.670 40 10 HJCBRM COc1ccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058928777 568700038 /nfs/dbraw/zinc/70/00/38/568700038.db2.gz CDIHZQHETJTXGI-VKJFTORMSA-N -1 0 400.272 4.982 40 10 HJCBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000001210264 568825662 /nfs/dbraw/zinc/82/56/62/568825662.db2.gz LDZQUNCQSFRUPO-SCPQHCQOSA-N -1 0 409.532 4.530 40 10 HJCBRM Cc1sc([N-]S(=O)(=O)c2ccc(C)cc2)nc1-c1ccc(Br)cc1 ZINC000224137720 569052556 /nfs/dbraw/zinc/05/25/56/569052556.db2.gz DMRKECHTISNOQQ-UHFFFAOYSA-N -1 0 423.357 4.990 40 10 HJCBRM Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000034688465 569360561 /nfs/dbraw/zinc/36/05/61/569360561.db2.gz LBJKDDZTANNMKW-SFQUDFHCSA-N -1 0 423.513 4.714 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000001202674 132242177 /nfs/dbraw/zinc/24/21/77/132242177.db2.gz YAFKJGQUNYLJJJ-KGENOOAVSA-N -1 0 416.408 4.911 40 10 HJCBRM O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N1CCc1ccccn1 ZINC000001573954 557273108 /nfs/dbraw/zinc/27/31/08/557273108.db2.gz XNODUJYLAIIVDZ-HXUWFJFHSA-N -1 0 414.292 4.903 40 10 in-vitro HJCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)c1 ZINC000408739412 557805424 /nfs/dbraw/zinc/80/54/24/557805424.db2.gz BPZABKUSHDFWKU-LDADJPATSA-N -1 0 406.825 4.575 40 10 HJCBRM Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccccc2F)c1 ZINC000408757862 558788186 /nfs/dbraw/zinc/78/81/86/558788186.db2.gz DLQIZXKAVUYWGK-KGENOOAVSA-N -1 0 400.409 4.667 40 10 HJCBRM COc1ccc(Br)cc1[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21 ZINC000004959438 560616497 /nfs/dbraw/zinc/61/64/97/560616497.db2.gz NZGRRGAZVGOZOV-KSMMKXTCSA-N -1 0 400.272 4.982 40 10 HJCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000408802219 560642787 /nfs/dbraw/zinc/64/27/87/560642787.db2.gz XSDZKPQXGOIELP-XSFVSMFZSA-N -1 0 414.461 4.522 40 10 HJCBRM CC[C@@H](C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000408901749 560651506 /nfs/dbraw/zinc/65/15/06/560651506.db2.gz ZSFUIIBPJWCQGR-ONDHQXCVSA-N -1 0 421.884 4.932 40 10 HJCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1C(C)C ZINC000409142551 560684147 /nfs/dbraw/zinc/68/41/47/560684147.db2.gz AIQUKTUVFAEZCB-XDHOZWIPSA-N -1 0 422.550 4.575 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000113834992 560805193 /nfs/dbraw/zinc/80/51/93/560805193.db2.gz QBCYYJMBRMWNFN-KOEQRZSOSA-N -1 0 420.468 4.880 40 10 HJCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000058928816 568700105 /nfs/dbraw/zinc/70/01/05/568700105.db2.gz OMWGWBAPRATJCX-KEYYUXOJSA-N -1 0 415.243 4.882 40 10 HJCBRM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc12 ZINC000059135064 568701230 /nfs/dbraw/zinc/70/12/30/568701230.db2.gz WTOWVLCVYUAUPK-CPNJWEJPSA-N -1 0 404.397 4.884 40 10 HJCBRM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S ZINC000054360925 569072288 /nfs/dbraw/zinc/07/22/88/569072288.db2.gz YSMSNURKAJQZML-QTNMRXCUSA-N -1 0 420.943 4.733 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(C)c1O ZINC000038187745 569360810 /nfs/dbraw/zinc/36/08/10/569360810.db2.gz UTVJMCZQRYWKQY-XYOKQWHBSA-N -1 0 421.305 4.987 40 10 HJCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000008842988 132333689 /nfs/dbraw/zinc/33/36/89/132333689.db2.gz HKKOKYQLSGKXDO-LDADJPATSA-N -1 0 417.377 4.670 40 10 HJCBRM CCc1nc(SC(=Cc2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)[O-])n[nH]1 ZINC000408632763 557574791 /nfs/dbraw/zinc/57/47/91/557574791.db2.gz SHEZONVXTFPIRK-PXNMLYILSA-N -1 0 420.897 4.785 40 10 HJCBRM COc1ccccc1C1=N/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N1c1ccc(C)cc1 ZINC000408844018 560646325 /nfs/dbraw/zinc/64/63/25/560646325.db2.gz OHIMUYJIGWDULH-RCCKNPSSSA-N -1 0 412.445 4.536 40 10 HJCBRM Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)c1 ZINC000408873098 560649101 /nfs/dbraw/zinc/64/91/01/560649101.db2.gz RJHKHUGLXZASMO-LFVJCYFKSA-N -1 0 424.500 4.869 40 10 HJCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000409207534 560691509 /nfs/dbraw/zinc/69/15/09/560691509.db2.gz WEYAFIBLIOMJGK-GDNBJRDFSA-N -1 0 419.264 4.658 40 10 HJCBRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409250559 560702082 /nfs/dbraw/zinc/70/20/82/560702082.db2.gz RAOQVQCJVOZIPR-RCCKNPSSSA-N -1 0 414.486 4.813 40 10 HJCBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccccc1C ZINC000100525262 560725102 /nfs/dbraw/zinc/72/51/02/560725102.db2.gz FNUJBPPWMQFIPZ-CCWVLBSLSA-N -1 0 420.454 4.902 40 10 HJCBRM O=C1C=Cc2cc(Br)ccc2C1=NNc1ccc(S(=O)(=O)[O-])cc1 ZINC000004783242 557597361 /nfs/dbraw/zinc/59/73/61/557597361.db2.gz GCWVGAVDJVCURG-VHEBQXMUSA-N -1 0 407.245 4.970 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)cc1C ZINC000408756150 557818045 /nfs/dbraw/zinc/81/80/45/557818045.db2.gz UEHBAIBLQKHPEM-CPNJWEJPSA-N -1 0 418.474 4.714 40 10 HJCBRM COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000083318990 558833728 /nfs/dbraw/zinc/83/37/28/558833728.db2.gz SNENMTYTJZGXLC-AQTBWJFISA-N -1 0 402.475 4.828 40 10 HJCBRM Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)[N-]C1=S ZINC000408758882 559271412 /nfs/dbraw/zinc/27/14/12/559271412.db2.gz TXWJTESWIWHLHU-GHRIWEEISA-N -1 0 420.515 4.571 40 10 HJCBRM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000004714479 560610971 /nfs/dbraw/zinc/61/09/71/560610971.db2.gz MPFQOUDRUWWIJM-UNOMPAQXSA-N -1 0 406.873 4.654 40 10 HJCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCC1 ZINC000408772473 560639261 /nfs/dbraw/zinc/63/92/61/560639261.db2.gz LWOFXGAYPOIBCO-XDHOZWIPSA-N -1 0 411.889 4.540 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000005898250 560738924 /nfs/dbraw/zinc/73/89/24/560738924.db2.gz WHGXOCDXYZWPHX-UDWIEESQSA-N -1 0 417.465 4.806 40 10 HJCBRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nc(-c2ccc(Cl)cc2)cs1 ZINC000223253876 568542660 /nfs/dbraw/zinc/54/26/60/568542660.db2.gz PCYJXBVQYTYYOL-UHFFFAOYSA-N -1 0 415.323 4.926 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccc(F)cc1 ZINC000033321567 568696884 /nfs/dbraw/zinc/69/68/84/568696884.db2.gz VPKJHUSKFGNLNI-XSFVSMFZSA-N -1 0 416.408 4.911 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1F ZINC000059135296 568701177 /nfs/dbraw/zinc/70/11/77/568701177.db2.gz OTHXVFCHUQDQGA-LDADJPATSA-N -1 0 421.403 4.879 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000026712616 569025647 /nfs/dbraw/zinc/02/56/47/569025647.db2.gz SIQDWLYZSVTTHE-CPNJWEJPSA-N -1 0 422.843 4.520 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc(C)c1O ZINC000038182628 569360709 /nfs/dbraw/zinc/36/07/09/569360709.db2.gz WRVCUYYRMHTSJD-NTUHNPAUSA-N -1 0 405.237 4.823 40 10 HJCBRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000005374202 557648306 /nfs/dbraw/zinc/64/83/06/557648306.db2.gz MPKRQKMZUJJWBH-PFIVJWCNSA-N -1 0 404.340 4.694 40 10 HJCBRM Cc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1C(=O)[O-] ZINC000005374355 557648508 /nfs/dbraw/zinc/64/85/08/557648508.db2.gz IZNIVZZSRWSOJJ-NVNXTCNLSA-N -1 0 407.875 4.892 40 10 HJCBRM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000005546465 557660694 /nfs/dbraw/zinc/66/06/94/557660694.db2.gz YSEVEHANQQNAJW-BKUYFWCQSA-N -1 0 400.482 4.618 40 10 HJCBRM Cc1nn(C(=O)CC(=O)Nc2ccc(C)cc2)c(C)c1N=Nc1ccccc1C(=O)[O-] ZINC000008653573 557798877 /nfs/dbraw/zinc/79/88/77/557798877.db2.gz UDKJZSBCHUOBAD-IZHYLOQSSA-N -1 0 419.441 4.591 40 10 HJCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccccc3)o2)C1=O ZINC000408757214 557816334 /nfs/dbraw/zinc/81/63/34/557816334.db2.gz WEUVXUMJXFEXPH-NBVRZTHBSA-N -1 0 418.474 4.660 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC(C)C)ccc4ccccc43)C2=O)cc1 ZINC000408803747 560642996 /nfs/dbraw/zinc/64/29/96/560642996.db2.gz SYWYINVZLWKFJJ-KGENOOAVSA-N -1 0 414.461 4.602 40 10 HJCBRM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000408849345 560647058 /nfs/dbraw/zinc/64/70/58/560647058.db2.gz ZOEJQERKDUMAHB-GXDHUFHOSA-N -1 0 419.333 4.948 40 10 HJCBRM Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)cc2)c1 ZINC000408865210 560648339 /nfs/dbraw/zinc/64/83/39/560648339.db2.gz BXMYBHUOZNZOME-XQNSMLJCSA-N -1 0 424.500 4.869 40 10 HJCBRM Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc2n1C ZINC000409094933 560674787 /nfs/dbraw/zinc/67/47/87/560674787.db2.gz GRXBYEJJIFRGKB-WOJGMQOQSA-N -1 0 408.504 4.591 40 10 HJCBRM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C ZINC000112287740 560777962 /nfs/dbraw/zinc/77/79/62/560777962.db2.gz VEVALNSTYUHMOG-QNGOZBTKSA-N -1 0 408.458 4.801 40 10 HJCBRM CCOC(=O)c1ccc(N=C(C)c2c(C)[n-]n(-c3nc4ccccc4s3)c2=O)cc1 ZINC000017092247 560866969 /nfs/dbraw/zinc/86/69/69/560866969.db2.gz CIFGFRSIMKEABM-UYRXBGFRSA-N -1 0 420.494 4.582 40 10 HJCBRM O=C([O-])[C@@H]1Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@@H]21 ZINC000004371929 560896256 /nfs/dbraw/zinc/89/62/56/560896256.db2.gz 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417.895 4.619 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1C ZINC000408859012 560648269 /nfs/dbraw/zinc/64/82/69/560648269.db2.gz VAZLXZIWPZSATO-XDHOZWIPSA-N -1 0 420.852 4.883 40 10 HJCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc4[nH]c5ccccc5c4c3)C2=O)c1 ZINC000408901540 560651444 /nfs/dbraw/zinc/65/14/44/560651444.db2.gz YQONAWRSARZOJU-DEDYPNTBSA-N -1 0 409.445 4.604 40 10 HJCBRM Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408902821 560652359 /nfs/dbraw/zinc/65/23/59/560652359.db2.gz RSAFBAKHJYKZTJ-HYARGMPZSA-N -1 0 413.477 4.907 40 10 HJCBRM CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)[O-])C3=O)c2C)cc1 ZINC000409136239 560682494 /nfs/dbraw/zinc/68/24/94/560682494.db2.gz XYGOGYHQJLIMQJ-XDHOZWIPSA-N -1 0 412.511 4.558 40 10 HJCBRM CCCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)SC1=S ZINC000409342016 560711654 /nfs/dbraw/zinc/71/16/54/560711654.db2.gz DJWRUHMIOUQKLM-OQLLNIDSSA-N -1 0 407.900 4.909 40 10 HJCBRM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccc(OC)c1OC ZINC000103919339 560734754 /nfs/dbraw/zinc/73/47/54/560734754.db2.gz OGZUMOHZKBCCQJ-ZHZULCJRSA-N -1 0 424.457 4.501 40 10 HJCBRM CCN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000005947747 560739156 /nfs/dbraw/zinc/73/91/56/560739156.db2.gz JQMHKGASNYOTHY-GZTJUZNOSA-N -1 0 407.857 4.665 40 10 HJCBRM O=C([O-])[C@@H]1Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000004371931 560896281 /nfs/dbraw/zinc/89/62/81/560896281.db2.gz FXXMVOQVYPYDOI-VEVIJQCQSA-N -1 0 403.265 4.784 40 10 HJCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Cl)C2=O)c1 ZINC000059426660 568706384 /nfs/dbraw/zinc/70/63/84/568706384.db2.gz RHMKLHUJQAFWTP-AUWJEWJLSA-N -1 0 423.683 4.930 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(C)c1O ZINC000038167688 569360770 /nfs/dbraw/zinc/36/07/70/569360770.db2.gz JMAPBFWCQGGIFO-NTUHNPAUSA-N -1 0 405.237 4.823 40 10 HJCBRM CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000027533920 569367989 /nfs/dbraw/zinc/36/79/89/569367989.db2.gz LDZQUNCQSFRUPO-GLGRLZMWSA-N -1 0 409.532 4.530 40 10 HJCBRM O=C1C=Cc2cc(Br)ccc2C1=NNc1ccc(S(=O)(=O)[O-])cc1 ZINC000017300321 558826761 /nfs/dbraw/zinc/82/67/61/558826761.db2.gz GCWVGAVDJVCURG-HNENSFHCSA-N -1 0 407.245 4.970 40 10 HJCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408766462 560630096 /nfs/dbraw/zinc/63/00/96/560630096.db2.gz QZKKJXDHGBSKDB-KGENOOAVSA-N -1 0 400.409 4.667 40 10 HJCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCC1 ZINC000408771397 560638721 /nfs/dbraw/zinc/63/87/21/560638721.db2.gz HSPSWHLMXXPQKI-YBFXNURJSA-N -1 0 411.889 4.540 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000408775810 560639031 /nfs/dbraw/zinc/63/90/31/560639031.db2.gz SFVWQVDBDXYWCT-FYJGNVAPSA-N -1 0 405.498 4.503 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408851738 560646775 /nfs/dbraw/zinc/64/67/75/560646775.db2.gz FPZLHTZYOMWRTB-HYARGMPZSA-N -1 0 419.525 4.893 40 10 HJCBRM Cc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1 ZINC000408850335 560647206 /nfs/dbraw/zinc/64/72/06/560647206.db2.gz LPFNVCCNFLPJJH-NTEUORMPSA-N -1 0 419.333 4.750 40 10 HJCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2c(Cl)cccc2Cl)C1=O ZINC000409211524 560695211 /nfs/dbraw/zinc/69/52/11/560695211.db2.gz NRDWKCISVKXQQL-DHZHZOJOSA-N -1 0 409.656 4.622 40 10 HJCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(N2CCCC2)cc1 ZINC000002820586 560732390 /nfs/dbraw/zinc/73/23/90/560732390.db2.gz HMMOSTBUAOZXLO-QGOAFFKASA-N -1 0 411.914 4.612 40 10 HJCBRM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cc(Cl)ccc1Cl ZINC000112286115 560777900 /nfs/dbraw/zinc/77/79/00/560777900.db2.gz WTSSTPOZALJMLC-UNOMPAQXSA-N -1 0 418.280 4.645 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033330595 132788660 /nfs/dbraw/zinc/78/86/60/132788660.db2.gz MBOCQNQJKAVSEO-DEDYPNTBSA-N -1 0 419.481 4.905 40 10 HJCBRM CC(C)c1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000005374241 557648458 /nfs/dbraw/zinc/64/84/58/557648458.db2.gz SHOTYJRRTHYCQY-ZJYZBMPFSA-N -1 0 411.548 4.707 40 10 HJCBRM Cc1ccc2ccc([C@H](Nc3ccccc3C(=O)[O-])c3ccc(O)cc3)c(O)c2n1 ZINC000408731558 557795634 /nfs/dbraw/zinc/79/56/34/557795634.db2.gz NQLKBTSSTKINDM-OAQYLSRUSA-N -1 0 400.434 4.854 40 10 HJCBRM COc1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408752275 557816188 /nfs/dbraw/zinc/81/61/88/557816188.db2.gz CUIYJEYRINZJEC-PXLXIMEGSA-N -1 0 412.445 4.536 40 10 HJCBRM O=C([O-])c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000016399930 558789704 /nfs/dbraw/zinc/78/97/04/558789704.db2.gz HXFIPOIXYWOGRT-KEYYUXOJSA-N -1 0 415.243 4.882 40 10 HJCBRM O=C([O-])[C@H]1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@@H]21 ZINC000101700176 559147785 /nfs/dbraw/zinc/14/77/85/559147785.db2.gz PREIJVXDCSNASS-LXIYXOSZSA-N -1 0 404.249 4.751 40 10 HJCBRM COc1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408767430 560630158 /nfs/dbraw/zinc/63/01/58/560630158.db2.gz XKXMKKJYVCTVHK-PXLXIMEGSA-N -1 0 412.445 4.536 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1 ZINC000408779055 560640812 /nfs/dbraw/zinc/64/08/12/560640812.db2.gz PZKPCPPNSHQZSN-XDHOZWIPSA-N -1 0 420.852 4.883 40 10 HJCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000408819881 560645396 /nfs/dbraw/zinc/64/53/96/560645396.db2.gz YSYYJQVJXYSUFC-XSFVSMFZSA-N -1 0 414.461 4.522 40 10 HJCBRM Cc1cccc(N2C(=O)[N-]C(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)c1 ZINC000408869950 560648244 /nfs/dbraw/zinc/64/82/44/560648244.db2.gz ULMRSDKDJSVROB-LFVJCYFKSA-N -1 0 424.500 4.869 40 10 HJCBRM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)[N-]C2=S)c1 ZINC000409010830 560665441 /nfs/dbraw/zinc/66/54/41/560665441.db2.gz LUDHRETUJIDXNS-XDHOZWIPSA-N -1 0 420.465 4.534 40 10 HJCBRM CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)SC1=S ZINC000107735687 569361090 /nfs/dbraw/zinc/36/10/90/569361090.db2.gz MDEWONNSZINTEM-DHDCSXOGSA-N -1 0 407.900 4.909 40 10 HJCBRM O=C([O-])c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000009010394 557015899 /nfs/dbraw/zinc/01/58/99/557015899.db2.gz OEADRPRJNCGXTH-HDMKZQKVSA-N -1 0 417.246 4.816 40 10 HJCBRM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408536302 557329327 /nfs/dbraw/zinc/32/93/27/557329327.db2.gz VZYQHPOYQNPMJH-ZROIWOOFSA-N -1 0 408.658 4.960 40 10 HJCBRM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C ZINC000005342620 557645743 /nfs/dbraw/zinc/64/57/43/557645743.db2.gz VLFWPYDHEIBJNM-QRVIBDJDSA-N -1 0 414.509 4.926 40 10 HJCBRM COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1 ZINC000005720375 557670420 /nfs/dbraw/zinc/67/04/20/557670420.db2.gz GVUUCNULVOTOIV-QGOAFFKASA-N -1 0 413.429 4.570 40 10 HJCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S ZINC000008828320 557810938 /nfs/dbraw/zinc/81/09/38/557810938.db2.gz QIMXBIBLKXFGQJ-FQRLUESJSA-N -1 0 415.923 4.836 40 10 HJCBRM O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2cccnc21 ZINC000100680873 559137737 /nfs/dbraw/zinc/13/77/37/559137737.db2.gz IOROHHFNXSCMPV-VHXPQNKSSA-N -1 0 405.439 4.552 40 10 HJCBRM COc1ccc(Br)cc1[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21 ZINC000004959440 560616446 /nfs/dbraw/zinc/61/64/46/560616446.db2.gz NZGRRGAZVGOZOV-NJSLBKSFSA-N -1 0 400.272 4.982 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000408778431 560640820 /nfs/dbraw/zinc/64/08/20/560640820.db2.gz UMMYMPVQOHANET-FYJGNVAPSA-N -1 0 405.498 4.503 40 10 HJCBRM Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000408881523 560649853 /nfs/dbraw/zinc/64/98/53/560649853.db2.gz MQZVRCXBAKLFBT-XQNSMLJCSA-N -1 0 424.500 4.869 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000408901642 560651482 /nfs/dbraw/zinc/65/14/82/560651482.db2.gz ZJOMGUWQHCVGPG-XSFVSMFZSA-N -1 0 402.837 4.673 40 10 HJCBRM Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000408901488 560651505 /nfs/dbraw/zinc/65/15/05/560651505.db2.gz FXXOHOUYVRZQSE-LPYMAVHISA-N -1 0 413.477 4.907 40 10 HJCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000408903115 560652358 /nfs/dbraw/zinc/65/23/58/560652358.db2.gz UQYMIPGOQODWHU-HZHRSRAPSA-N -1 0 412.445 4.770 40 10 HJCBRM CC(C)CN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2[O-])SC1=S ZINC000409035514 560668816 /nfs/dbraw/zinc/66/88/16/560668816.db2.gz JEAXZMNOBHLBHH-WCIBSUBMSA-N -1 0 406.754 4.665 40 10 HJCBRM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)c1 ZINC000409202898 560693596 /nfs/dbraw/zinc/69/35/96/560693596.db2.gz VDYUSCOEPRLGCB-XSFVSMFZSA-N -1 0 419.458 4.924 40 10 HJCBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccccc1C ZINC000100525258 560725168 /nfs/dbraw/zinc/72/51/68/560725168.db2.gz FNUJBPPWMQFIPZ-KGNHYALCSA-N -1 0 420.454 4.902 40 10 HJCBRM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(Cl)cc1Cl ZINC000112286178 560777870 /nfs/dbraw/zinc/77/78/70/560777870.db2.gz YJNMTCDKRJSSGI-UNOMPAQXSA-N -1 0 418.280 4.645 40 10 HJCBRM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccccc1OCC ZINC000112287633 560777946 /nfs/dbraw/zinc/77/79/46/560777946.db2.gz CYNSETRMGTXDMP-QNGOZBTKSA-N -1 0 408.458 4.882 40 10 HJCBRM COc1cccc(N=C(C)c2c(-c3ccccc3)[n-]n(-c3ccccc3)c2=O)c1OC ZINC000017089566 560864438 /nfs/dbraw/zinc/86/44/38/560864438.db2.gz UWMUZSTXICFJJS-XLNRJJMWSA-N -1 0 413.477 4.841 40 10 HJCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000059135962 568701256 /nfs/dbraw/zinc/70/12/56/568701256.db2.gz ZLROQARXOARQJU-RVDMUPIBSA-N -1 0 410.401 4.896 40 10 HJCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000059138525 568701416 /nfs/dbraw/zinc/70/14/16/568701416.db2.gz WEEHVNIDUNJAOX-ZRDIBKRKSA-N -1 0 420.252 4.693 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000059106187 568703871 /nfs/dbraw/zinc/70/38/71/568703871.db2.gz USZHMFYTRBGPLY-WJDWOHSUSA-N -1 0 421.340 4.501 40 10 HJCBRM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000095276487 568719636 /nfs/dbraw/zinc/71/96/36/568719636.db2.gz QUVSUCUDIOQGDV-NDENLUEZSA-N -1 0 420.900 4.963 40 10 HJCBRM CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)S1 ZINC000005851000 568825832 /nfs/dbraw/zinc/82/58/32/568825832.db2.gz CPYOUKIEOGIQNJ-FYJGNVAPSA-N -1 0 402.475 4.525 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000026681006 569025644 /nfs/dbraw/zinc/02/56/44/569025644.db2.gz FYWUAFPPSRBUOT-DEDYPNTBSA-N -1 0 422.843 4.520 40 10 HJCBRM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1cccc2ccccc21 ZINC000408534215 557320120 /nfs/dbraw/zinc/32/01/20/557320120.db2.gz PRZQOTHBGCVMNR-HMMYKYKNSA-N -1 0 407.429 4.572 40 10 HJCBRM CCCCCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408537942 557350331 /nfs/dbraw/zinc/35/03/31/557350331.db2.gz IJHFJRKNCBRBNL-JWGURIENSA-N -1 0 420.509 4.929 40 10 HJCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408762332 560556550 /nfs/dbraw/zinc/55/65/50/560556550.db2.gz JZVQQDPQLQWREG-QGOAFFKASA-N -1 0 420.515 4.571 40 10 HJCBRM O=C([O-])c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000001461974 560583238 /nfs/dbraw/zinc/58/32/38/560583238.db2.gz OEADRPRJNCGXTH-RLFYNMQTSA-N -1 0 417.246 4.816 40 10 HJCBRM COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000408877581 560649461 /nfs/dbraw/zinc/64/94/61/560649461.db2.gz SNUMNZBBJSTHJT-VBHSOAQHSA-N -1 0 400.818 4.782 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1 ZINC000408883488 560649674 /nfs/dbraw/zinc/64/96/74/560649674.db2.gz UWCVRYOZWDQYDH-HMMYKYKNSA-N -1 0 416.864 4.597 40 10 HJCBRM CCOc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1C(C)C ZINC000408961867 560658352 /nfs/dbraw/zinc/65/83/52/560658352.db2.gz OWJTXXWNOOKRHT-FYJGNVAPSA-N -1 0 420.509 4.800 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1Cl ZINC000408988036 560661839 /nfs/dbraw/zinc/66/18/39/560661839.db2.gz QELZBSRAVKWOSU-MLPAPPSSSA-N -1 0 409.656 4.622 40 10 HJCBRM CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)C1=O ZINC000409018543 560666113 /nfs/dbraw/zinc/66/61/13/560666113.db2.gz HQXPDRMVUXVVRC-ZGXHQARYSA-N -1 0 412.511 4.936 40 10 HJCBRM CCn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21 ZINC000409105091 560678330 /nfs/dbraw/zinc/67/83/30/560678330.db2.gz GGDOJRFIGLRFHM-WOJGMQOQSA-N -1 0 408.504 4.765 40 10 HJCBRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21 ZINC000409165028 560686093 /nfs/dbraw/zinc/68/60/93/560686093.db2.gz RESDWLSAMPAKRK-ZJNRKIDTSA-N -1 0 417.246 4.816 40 10 HJCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000409211159 560695143 /nfs/dbraw/zinc/69/51/43/560695143.db2.gz MXMVDYNXBKHLPE-AWNIVKPZSA-N -1 0 409.656 4.622 40 10 HJCBRM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000059861452 568709147 /nfs/dbraw/zinc/70/91/47/568709147.db2.gz WFCYKSSTFNCJNJ-SFQUDFHCSA-N -1 0 408.454 4.608 40 10 HJCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SCc4ccco4)o3)C2=O)cc1 ZINC000041108856 524391563 /nfs/dbraw/zinc/39/15/63/524391563.db2.gz USCIJJVDAMRVAC-BOPFTXTBSA-N -1 0 424.434 4.680 40 10 HJCBRM Cn1cccc1/C=C1/SC(=S)N(CCCCCCCCCCC(=O)[O-])C1=O ZINC000005371620 557647797 /nfs/dbraw/zinc/64/77/97/557647797.db2.gz PMSALFUNFHRJRT-BMRADRMJSA-N -1 0 408.589 4.822 40 10 HJCBRM COc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1C(=O)[O-] ZINC000226857081 559274070 /nfs/dbraw/zinc/27/40/70/559274070.db2.gz OCAHDQATWPGLDQ-QURGRASLSA-N -1 0 411.439 4.610 40 10 HJCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc12 ZINC000408773694 560639376 /nfs/dbraw/zinc/63/93/76/560639376.db2.gz WMEXUPHUTJWORO-KGENOOAVSA-N -1 0 414.461 4.522 40 10 HJCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000408809386 560643823 /nfs/dbraw/zinc/64/38/23/560643823.db2.gz HLXIQDWMNMXBRH-GHRIWEEISA-N -1 0 420.852 4.558 40 10 HJCBRM COc1cc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000408837624 560645804 /nfs/dbraw/zinc/64/58/04/560645804.db2.gz KCAOQHUBCAUDIS-TYILLQQXSA-N -1 0 415.873 4.891 40 10 HJCBRM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408854504 560647651 /nfs/dbraw/zinc/64/76/51/560647651.db2.gz GWXDMUDDPQQTOM-SOFGYWHQSA-N -1 0 417.726 4.540 40 10 HJCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000100510943 560725458 /nfs/dbraw/zinc/72/54/58/560725458.db2.gz AFUUWZQVNVITAL-CCWVLBSLSA-N -1 0 420.454 4.902 40 10 HJCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(OC(C)C)ccc3ccccc32)C1=O ZINC000014133134 560838715 /nfs/dbraw/zinc/83/87/15/560838715.db2.gz POPZXDXNNMFVRE-XSFVSMFZSA-N -1 0 414.461 4.602 40 10 HJCBRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000225596129 568655752 /nfs/dbraw/zinc/65/57/52/568655752.db2.gz VFYXEJLOJGRHJD-UHFFFAOYSA-N -1 0 403.862 4.819 40 10 HJCBRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F ZINC000225606245 568656406 /nfs/dbraw/zinc/65/64/06/568656406.db2.gz DXIJTEVXFNWYIV-UHFFFAOYSA-N -1 0 403.862 4.819 40 10 HJCBRM CCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000059861485 568709256 /nfs/dbraw/zinc/70/92/56/568709256.db2.gz BSRJYSYKNKYLHY-QGOAFFKASA-N -1 0 422.481 4.998 40 10 HJCBRM CCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1OCC ZINC000059861497 568709600 /nfs/dbraw/zinc/70/96/00/568709600.db2.gz ZJEGSJPNVVZOQE-QGOAFFKASA-N -1 0 422.481 4.998 40 10 HJCBRM CC(C)(C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000108120010 569361299 /nfs/dbraw/zinc/36/12/99/569361299.db2.gz YMCLJHOVAMORAV-ZROIWOOFSA-N -1 0 405.281 4.632 40 10 HJCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000207363683 569361458 /nfs/dbraw/zinc/36/14/58/569361458.db2.gz NEDZPGODEWHHOO-PXLXIMEGSA-N -1 0 412.445 4.770 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21 ZINC000006283479 132310110 /nfs/dbraw/zinc/31/01/10/132310110.db2.gz YQDNPHWFPUCIOB-HYARGMPZSA-N -1 0 410.404 4.799 40 10 HJCBRM CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccccc2)cc1 ZINC000408751595 557815707 /nfs/dbraw/zinc/81/57/07/557815707.db2.gz AFTSDYNDTUNZQO-CJLVFECKSA-N -1 0 412.445 4.618 40 10 HJCBRM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc(Br)cc2)S1 ZINC000008964453 557816575 /nfs/dbraw/zinc/81/65/75/557816575.db2.gz DEYCZWSWZFEFDW-NVNXTCNLSA-N -1 0 417.284 4.538 40 10 HJCBRM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000013914648 558832559 /nfs/dbraw/zinc/83/25/59/558832559.db2.gz PFSVHTWJWYFYMK-PXLXIMEGSA-N -1 0 412.445 4.770 40 10 HJCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)[N-]C2=S)cc1 ZINC000408783522 560641247 /nfs/dbraw/zinc/64/12/47/560641247.db2.gz OAYHQSROIAVNKL-KGENOOAVSA-N -1 0 421.566 4.614 40 10 HJCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)[N-]C2=S)cc1 ZINC000409377002 560717895 /nfs/dbraw/zinc/71/78/95/560717895.db2.gz DXMZYUBEHCXZIE-DEDYPNTBSA-N -1 0 422.550 4.521 40 10 HJCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000100511033 560725432 /nfs/dbraw/zinc/72/54/32/560725432.db2.gz NHZJPKFQCYJGCD-CCWVLBSLSA-N -1 0 420.454 4.902 40 10 HJCBRM COC(=O)c1ccccc1N=C(C)c1c(-c2ccccc2)[n-]n(-c2ccccc2)c1=O ZINC000103921311 560735148 /nfs/dbraw/zinc/73/51/48/560735148.db2.gz SXFRUAMDHYHLON-XLNRJJMWSA-N -1 0 411.461 4.610 40 10 HJCBRM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C ZINC000112290986 560778130 /nfs/dbraw/zinc/77/81/30/560778130.db2.gz DDGARQKVACYKJW-ZHZULCJRSA-N -1 0 423.429 4.700 40 10 HJCBRM CC(=Nc1cc([N+](=O)[O-])ccc1C)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000017087673 560862821 /nfs/dbraw/zinc/86/28/21/560862821.db2.gz DOGHBEVHCBBFJQ-PDGQHHTCSA-N -1 0 407.455 4.622 40 10 HJCBRM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cccc(Cl)c3)C2=O)c1 ZINC000059105061 568700470 /nfs/dbraw/zinc/70/04/70/568700470.db2.gz DZTQCCFJGKTWHY-LFIBNONCSA-N -1 0 414.845 4.644 40 10 HJCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC)ccc4ccccc43)C2=O)cc1 ZINC000059859654 568709235 /nfs/dbraw/zinc/70/92/35/568709235.db2.gz WWOGCJARTIMTPT-ZHZULCJRSA-N -1 0 416.433 4.754 40 10 HJCBRM Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000033671489 569360337 /nfs/dbraw/zinc/36/03/37/569360337.db2.gz RYVOTFYDAXUTKV-SFQUDFHCSA-N -1 0 407.445 4.549 40 10 HJCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S ZINC000008828321 557811080 /nfs/dbraw/zinc/81/10/80/557811080.db2.gz QIMXBIBLKXFGQJ-SYKGDFLPSA-N -1 0 415.923 4.836 40 10 HJCBRM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000013549118 558538669 /nfs/dbraw/zinc/53/86/69/558538669.db2.gz ZXVYREMOJQRTIR-ZROIWOOFSA-N -1 0 406.667 4.527 40 10 HJCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)c1 ZINC000408758885 559271448 /nfs/dbraw/zinc/27/14/48/559271448.db2.gz TZAAIYVGFNCVRJ-CPNJWEJPSA-N -1 0 418.474 4.714 40 10 HJCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000408771467 560638706 /nfs/dbraw/zinc/63/87/06/560638706.db2.gz GPZMFZVLZVLNIG-FYJGNVAPSA-N -1 0 421.566 4.668 40 10 HJCBRM CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C1=O ZINC000409013743 560666147 /nfs/dbraw/zinc/66/61/47/560666147.db2.gz NXZKBUMJFNUQJO-MDBUFAAASA-N -1 0 412.511 4.936 40 10 HJCBRM Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)[N-]C2=S)c(C)c1 ZINC000409134026 560682215 /nfs/dbraw/zinc/68/22/15/560682215.db2.gz OJLDCAMTVVMTDI-XDHOZWIPSA-N -1 0 417.534 4.670 40 10 HJCBRM Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S ZINC000409213084 560695951 /nfs/dbraw/zinc/69/59/51/560695951.db2.gz OHYLSUFQYLKHSW-WOJGMQOQSA-N -1 0 424.503 4.601 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1Cl ZINC000409218060 560697658 /nfs/dbraw/zinc/69/76/58/560697658.db2.gz YJNLNYJRIQZPAA-XYOKQWHBSA-N -1 0 409.656 4.622 40 10 HJCBRM CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)[N-]C2=S)cc1 ZINC000409235680 560701136 /nfs/dbraw/zinc/70/11/36/560701136.db2.gz CUJKKINBFGCKGR-XSFVSMFZSA-N -1 0 416.502 4.901 40 10 HJCBRM CC(C)n1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000409249019 560701985 /nfs/dbraw/zinc/70/19/85/560701985.db2.gz IWIBOJONRNFXOG-LFIBNONCSA-N -1 0 423.925 4.707 40 10 HJCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccccc3)o2)C1=O ZINC000409244113 560703031 /nfs/dbraw/zinc/70/30/31/560703031.db2.gz XXEPHRDCPXZCKI-FOWTUZBSSA-N -1 0 406.825 4.575 40 10 HJCBRM O=C([O-])COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000409350125 560713592 /nfs/dbraw/zinc/71/35/92/560713592.db2.gz XMVLPAGFYFKAJL-UNOMPAQXSA-N -1 0 421.499 4.709 40 10 HJCBRM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cccc(OC)c1OC ZINC000103919329 560734807 /nfs/dbraw/zinc/73/48/07/560734807.db2.gz MQDJRHODFNHASF-QNGOZBTKSA-N -1 0 409.486 4.601 40 10 HJCBRM CC(=Nc1ccccc1OC(F)(F)F)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112290631 560778111 /nfs/dbraw/zinc/77/81/11/560778111.db2.gz XFZORXBVMFWZHR-BOPFTXTBSA-N -1 0 420.347 4.602 40 10 HJCBRM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1CC(=O)Nc1ccc(F)cc1 ZINC000014153069 560839172 /nfs/dbraw/zinc/83/91/72/560839172.db2.gz ISVWRRLWGKFKON-UHFFFAOYSA-N -1 0 400.837 4.604 40 10 HJCBRM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2OCc2cccc3ccccc32)C(=O)N1 ZINC000058823258 568699748 /nfs/dbraw/zinc/69/97/48/568699748.db2.gz WCDXQPOTFOVOHK-UHFFFAOYSA-N -1 0 406.825 4.662 40 10 HJCBRM CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)C(=O)[N-]C2=S)cc1 ZINC000059104839 568700657 /nfs/dbraw/zinc/70/06/57/568700657.db2.gz WFQXIAQXJZLEGM-HKWRFOASSA-N -1 0 419.550 4.829 40 10 HJCBRM CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000059135436 568701226 /nfs/dbraw/zinc/70/12/26/568701226.db2.gz DCWBEYKMSULGSI-XDHOZWIPSA-N -1 0 418.380 4.795 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000034713536 569360671 /nfs/dbraw/zinc/36/06/71/569360671.db2.gz OITHWESNSUUPOF-PDGQHHTCSA-N -1 0 422.843 4.520 40 10 HJCBRM CCN1C(=O)/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)SC1=S ZINC000035058819 557296876 /nfs/dbraw/zinc/29/68/76/557296876.db2.gz RPEMZMWZIJZGLE-ODLFYWEKSA-N -1 0 422.531 4.609 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000408741743 557808707 /nfs/dbraw/zinc/80/87/07/557808707.db2.gz RUWLSXVUVOHZHF-KGENOOAVSA-N -1 0 405.498 4.585 40 10 HJCBRM Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)o1 ZINC000408849812 560647083 /nfs/dbraw/zinc/64/70/83/560647083.db2.gz ZGBSCKUDDNENQG-WOJGMQOQSA-N -1 0 424.815 4.714 40 10 HJCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C(C)(C)C ZINC000409233421 560700785 /nfs/dbraw/zinc/70/07/85/560700785.db2.gz KITSTQUMPCCRLG-DEDYPNTBSA-N -1 0 423.582 4.815 40 10 HJCBRM CC[C@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409243949 560702869 /nfs/dbraw/zinc/70/28/69/560702869.db2.gz ZNERMLWOGZFUDS-RZKQZQCBSA-N -1 0 422.550 4.819 40 10 HJCBRM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1 ZINC000004853084 560736917 /nfs/dbraw/zinc/73/69/17/560736917.db2.gz MSVZBBATVMKDKE-XMHGGMMESA-N -1 0 412.401 4.764 40 10 HJCBRM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(OC)ccc1OC ZINC000112290979 560778143 /nfs/dbraw/zinc/77/81/43/560778143.db2.gz LZWXTHWOWRFVJD-STZFKDTASA-N -1 0 424.457 4.501 40 10 HJCBRM CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(OC)cc1OC ZINC000112290999 560778186 /nfs/dbraw/zinc/77/81/86/560778186.db2.gz PCWYAKVPOSHRHB-STZFKDTASA-N -1 0 424.457 4.501 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000113834713 560805222 /nfs/dbraw/zinc/80/52/22/560805222.db2.gz QJTZHTGVYKCCAT-KOEQRZSOSA-N -1 0 420.468 4.880 40 10 HJCBRM COc1ccccc1[C@@H]1Nc2c(C(=O)[O-])cc(Br)cc2[C@@H]2C=CC[C@@H]21 ZINC000058928773 568700152 /nfs/dbraw/zinc/70/01/52/568700152.db2.gz NXQFIERFKOGGCQ-FHSNZYRGSA-N -1 0 400.272 4.982 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(F)c1 ZINC000059135299 568701243 /nfs/dbraw/zinc/70/12/43/568701243.db2.gz COTXWVNDQVQKQM-RGVLZGJSSA-N -1 0 421.403 4.879 40 10 HJCBRM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(Cl)cc1 ZINC000059198306 568702540 /nfs/dbraw/zinc/70/25/40/568702540.db2.gz RHSPUIJLNNSYBL-RIYZIHGNSA-N -1 0 405.635 4.609 40 10 HJCBRM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)C ZINC000059860937 568709317 /nfs/dbraw/zinc/70/93/17/568709317.db2.gz FVDBWHAYCMDCKN-GZTJUZNOSA-N -1 0 408.454 4.606 40 10 HJCBRM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000002215459 569310562 /nfs/dbraw/zinc/31/05/62/569310562.db2.gz OTCLIHGIDCLIND-JMMZKRSASA-N -1 0 419.525 4.713 40 10 HJCBRM CN(C)c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)[O-])cc1Br ZINC000408633935 557593296 /nfs/dbraw/zinc/59/32/96/557593296.db2.gz NTTVKOKNLKVCGV-YBEGLDIGSA-N -1 0 418.316 4.609 40 10 HJCBRM Cc1ccc2ccc([C@@H](Nc3ccccc3C(=O)[O-])c3ccc(O)cc3)c(O)c2n1 ZINC000408731556 557795344 /nfs/dbraw/zinc/79/53/44/557795344.db2.gz NQLKBTSSTKINDM-NRFANRHFSA-N -1 0 400.434 4.854 40 10 HJCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)[N-]C2=S)cc1 ZINC000408742092 557808937 /nfs/dbraw/zinc/80/89/37/557808937.db2.gz PEUMHUGVMPYIOA-LDADJPATSA-N -1 0 422.893 4.740 40 10 HJCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2cccc(C)c2)cc1 ZINC000408756842 557816381 /nfs/dbraw/zinc/81/63/81/557816381.db2.gz USSAKMIDJUONBK-PXLXIMEGSA-N -1 0 412.445 4.536 40 10 HJCBRM Cn1c(=O)c(C2=Nc3ccccc3N[C@H](c3ccccc3O)C2)c([O-])c2ccccc21 ZINC000104827585 559161671 /nfs/dbraw/zinc/16/16/71/559161671.db2.gz OZDZDKSFNANSLU-IBGZPJMESA-N -1 0 411.461 4.627 40 10 HJCBRM Cc1cc(/N=N\Cc2ccccc2)nc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000004859385 560613067 /nfs/dbraw/zinc/61/30/67/560613067.db2.gz VOSFRUNKEZICQW-ATJXCDBQSA-N -1 0 401.879 4.523 40 10 HJCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408762737 560629058 /nfs/dbraw/zinc/62/90/58/560629058.db2.gz FYFZIZLXQIIUQQ-DEDYPNTBSA-N -1 0 418.836 4.578 40 10 HJCBRM CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408806691 560642723 /nfs/dbraw/zinc/64/27/23/560642723.db2.gz BFKCMPBQKSUPPZ-RCCKNPSSSA-N -1 0 414.461 4.603 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Oc4ccccc4)c3)C2=O)cc1C ZINC000408855131 560647726 /nfs/dbraw/zinc/64/77/26/560647726.db2.gz DSPGDBLATKJMEA-PXLXIMEGSA-N -1 0 412.445 4.762 40 10 HJCBRM Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)[N-]C1=S ZINC000409236070 560699053 /nfs/dbraw/zinc/69/90/53/560699053.db2.gz RODSFKRUHQRVGO-SFQUDFHCSA-N -1 0 422.893 4.740 40 10 HJCBRM Cc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409333839 560710663 /nfs/dbraw/zinc/71/06/63/560710663.db2.gz JUSWAPDPVZIFTJ-ZZXKWVIFSA-N -1 0 421.240 4.681 40 10 HJCBRM CCc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)cc1 ZINC000059138131 568701443 /nfs/dbraw/zinc/70/14/43/568701443.db2.gz LYQZAGDSXUVPBM-NBVRZTHBSA-N -1 0 409.511 4.504 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000108250510 569361174 /nfs/dbraw/zinc/36/11/74/569361174.db2.gz YDOKNMQQOZVDSM-ZHZULCJRSA-N -1 0 406.894 4.953 40 10 HJCBRM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Cl ZINC000083320451 558833652 /nfs/dbraw/zinc/83/36/52/558833652.db2.gz RPZICZOCXARUOJ-DHDCSXOGSA-N -1 0 400.887 4.637 40 10 HJCBRM O=C([O-])[C@@H]1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@H]21 ZINC000001132062 560556112 /nfs/dbraw/zinc/55/61/12/560556112.db2.gz PREIJVXDCSNASS-VEVIJQCQSA-N -1 0 404.249 4.751 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c(C)n1C1CCCC1 ZINC000408782108 560641146 /nfs/dbraw/zinc/64/11/46/560641146.db2.gz VSTFFGSYGKVNTQ-DEDYPNTBSA-N -1 0 405.498 4.503 40 10 HJCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc12 ZINC000408786702 560641763 /nfs/dbraw/zinc/64/17/63/560641763.db2.gz UWRLEUNGTAUVMX-KGENOOAVSA-N -1 0 414.461 4.522 40 10 HJCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408787303 560641811 /nfs/dbraw/zinc/64/18/11/560641811.db2.gz WVEAMLHTURHONB-KGENOOAVSA-N -1 0 414.461 4.522 40 10 HJCBRM CC[C@H](C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000408901747 560651454 /nfs/dbraw/zinc/65/14/54/560651454.db2.gz ZSFUIIBPJWCQGR-BXUJETTOSA-N -1 0 421.884 4.932 40 10 HJCBRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 ZINC000409165025 560686092 /nfs/dbraw/zinc/68/60/92/560686092.db2.gz RESDWLSAMPAKRK-FHSNZYRGSA-N -1 0 417.246 4.816 40 10 HJCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000409236710 560699141 /nfs/dbraw/zinc/69/91/41/560699141.db2.gz GRPOZUXKJQDKCN-LFIBNONCSA-N -1 0 424.815 4.714 40 10 HJCBRM CCOc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1C(C)C ZINC000409230931 560700298 /nfs/dbraw/zinc/70/02/98/560700298.db2.gz ADRMNTNHROOVTQ-CPNJWEJPSA-N -1 0 422.550 4.657 40 10 HJCBRM Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)[N-]C1=S ZINC000409249549 560702037 /nfs/dbraw/zinc/70/20/37/560702037.db2.gz NLMJAPVUWUELIU-SFQUDFHCSA-N -1 0 422.893 4.740 40 10 HJCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)c1 ZINC000409243532 560702754 /nfs/dbraw/zinc/70/27/54/560702754.db2.gz SDHCNIHULNGMRW-LDADJPATSA-N -1 0 420.465 4.534 40 10 HJCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000100510939 560725466 /nfs/dbraw/zinc/72/54/66/560725466.db2.gz AFUUWZQVNVITAL-KGNHYALCSA-N -1 0 420.454 4.902 40 10 HJCBRM COc1ccc(-c2[n-]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2ncccc2C)cc1 ZINC000103922141 560735158 /nfs/dbraw/zinc/73/51/58/560735158.db2.gz OCZAVVATGVWXTC-PGMHBOJBSA-N -1 0 416.456 4.675 40 10 HJCBRM COc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1)CCCC2 ZINC000223136148 568539098 /nfs/dbraw/zinc/53/90/98/568539098.db2.gz MTMPJNOPYVQHEI-UHFFFAOYSA-N -1 0 421.518 4.606 40 10 HJCBRM COc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CCCC4)c3C)C(=O)[N-]C2=S)cc1 ZINC000096860840 568721874 /nfs/dbraw/zinc/72/18/74/568721874.db2.gz GZLBMFNVPYPYJJ-DEDYPNTBSA-N -1 0 423.538 4.900 40 10 HJCBRM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc([C@@H](C)CC)cc3)C2=O)ccc1O ZINC000038160671 568974107 /nfs/dbraw/zinc/97/41/07/568974107.db2.gz HHBWYUJXLBEUPU-QCUKBLKESA-N -1 0 408.454 4.811 40 10 HJCBRM O=C([O-])CN1CC=C(Cc2nc3c(s2)c(F)cc(F)c3F)c2c(Cl)cccc21 ZINC000504500083 569381965 /nfs/dbraw/zinc/38/19/65/569381965.db2.gz LJCGNNOMYMAFPO-UHFFFAOYSA-N -1 0 424.831 4.898 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC4CCCCC4)o3)C2=O)cc1 ZINC000041077939 524925971 /nfs/dbraw/zinc/92/59/71/524925971.db2.gz CLCNRFKMSYWXRP-QGOAFFKASA-N -1 0 410.495 4.679 40 10 HJCBRM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000005371916 557647963 /nfs/dbraw/zinc/64/79/63/557647963.db2.gz ZRNRPCTXMNDZJT-BPLGCGBFSA-N -1 0 404.340 4.838 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408739570 557805473 /nfs/dbraw/zinc/80/54/73/557805473.db2.gz CSDGDOHYIDMATI-HYARGMPZSA-N -1 0 419.525 4.893 40 10 HJCBRM Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000408758025 558825459 /nfs/dbraw/zinc/82/54/59/558825459.db2.gz UOMIIYXARAUZBA-DEDYPNTBSA-N -1 0 405.889 4.861 40 10 HJCBRM O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2cccnc21 ZINC000017778321 558827985 /nfs/dbraw/zinc/82/79/85/558827985.db2.gz IQEOBFBZYOOSSI-QURGRASLSA-N -1 0 411.468 4.613 40 10 HJCBRM COc1ccc(N2CCN(c3ccc(N(C(=O)[O-])c4ccccc4)cc3)CC2)cc1 ZINC000079671463 559017944 /nfs/dbraw/zinc/01/79/44/559017944.db2.gz JFAKBMUYACWFGN-UHFFFAOYSA-N -1 0 403.482 4.838 40 10 HJCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408759841 559275929 /nfs/dbraw/zinc/27/59/29/559275929.db2.gz MRHHOKUQSJCQJE-XSFVSMFZSA-N -1 0 402.837 4.873 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1 ZINC000408865387 560648365 /nfs/dbraw/zinc/64/83/65/560648365.db2.gz CCSZVHCNKILZJF-LFVJCYFKSA-N -1 0 424.500 4.869 40 10 HJCBRM Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000408877949 560649668 /nfs/dbraw/zinc/64/96/68/560649668.db2.gz YVMRSHFGVPDCBC-XQNSMLJCSA-N -1 0 410.473 4.561 40 10 HJCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000409198071 560690768 /nfs/dbraw/zinc/69/07/68/560690768.db2.gz WHGPNINOCBMCCP-GDNBJRDFSA-N -1 0 419.264 4.658 40 10 HJCBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1cccc(C)c1 ZINC000100525267 560725095 /nfs/dbraw/zinc/72/50/95/560725095.db2.gz YQWIAXFDNXYKDS-CCWVLBSLSA-N -1 0 420.454 4.902 40 10 HJCBRM CC(=Nc1ccccn1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103920611 560735079 /nfs/dbraw/zinc/73/50/79/560735079.db2.gz WBUJHOWBHVCIAM-HKWRFOASSA-N -1 0 411.490 4.828 40 10 HJCBRM CCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OCC ZINC000059861477 568709297 /nfs/dbraw/zinc/70/92/97/568709297.db2.gz XYFVTHGULUZGPC-GHRIWEEISA-N -1 0 408.454 4.689 40 10 HJCBRM CN(C)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)[O-])cc1 ZINC000007365569 569360069 /nfs/dbraw/zinc/36/00/69/569360069.db2.gz UNRHCNYXPCRSMV-WJDWOHSUSA-N -1 0 401.875 4.674 40 10 HJCBRM CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000107966958 569361292 /nfs/dbraw/zinc/36/12/92/569361292.db2.gz OPKCZLGFMXILBR-ZENNRRHLSA-N -1 0 405.281 4.632 40 10 HJCBRM COc1cc(-n2[n-]c(C)c(C=Nc3c(C)cc(C)cc3[N+](=O)[O-])c2=O)ccc1Cl ZINC000408532026 557309457 /nfs/dbraw/zinc/30/94/57/557309457.db2.gz LTGMOJRDXGBXPG-GDNBJRDFSA-N -1 0 414.849 4.592 40 10 HJCBRM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1F ZINC000408694654 557709760 /nfs/dbraw/zinc/70/97/60/557709760.db2.gz LJJRXUYCQAJQQV-UHFFFAOYSA-N -1 0 419.861 4.520 40 10 HJCBRM Cc1nn(C(=O)CC(=O)Nc2ccc(C)cc2)c(C)c1N=Nc1ccccc1C(=O)[O-] ZINC000016957716 558810231 /nfs/dbraw/zinc/81/02/31/558810231.db2.gz UDKJZSBCHUOBAD-OCOZRVBESA-N -1 0 419.441 4.591 40 10 HJCBRM O=C([O-])[C@H]1Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@@H]21 ZINC000101699513 559147771 /nfs/dbraw/zinc/14/77/71/559147771.db2.gz FXXMVOQVYPYDOI-LXIYXOSZSA-N -1 0 403.265 4.784 40 10 HJCBRM O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000002578385 560585597 /nfs/dbraw/zinc/58/55/97/560585597.db2.gz ZTCFLIAQZSENEG-AVCJSFLBSA-N -1 0 414.255 4.703 40 10 HJCBRM O=C([O-])c1ccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)cc1 ZINC000408827077 560645597 /nfs/dbraw/zinc/64/55/97/560645597.db2.gz FUOZRDCOEGNXDL-KCYKTTMJSA-N -1 0 421.452 4.987 40 10 HJCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=Nc1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000408999295 560663528 /nfs/dbraw/zinc/66/35/28/560663528.db2.gz QQRHUOPUVBLDFI-NXVVXOECSA-N -1 0 424.766 4.899 40 10 HJCBRM CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C1=O ZINC000409013744 560666131 /nfs/dbraw/zinc/66/61/31/560666131.db2.gz NXZKBUMJFNUQJO-OTGIAGGSSA-N -1 0 412.511 4.936 40 10 HJCBRM CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)SC1=S ZINC000409348679 560713379 /nfs/dbraw/zinc/71/33/79/560713379.db2.gz OLJDKSRQXPAJRA-OQLLNIDSSA-N -1 0 407.900 4.909 40 10 HJCBRM CC(=Nc1cccnc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000103920334 560735018 /nfs/dbraw/zinc/73/50/18/560735018.db2.gz LKHOONOYEDNFGL-HKWRFOASSA-N -1 0 411.490 4.828 40 10 HJCBRM COc1ccc(N=C(C)c2c(-c3ccccc3)[n-]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000017089565 560864327 /nfs/dbraw/zinc/86/43/27/560864327.db2.gz NEEPSLURZVUIQF-QJOMJCCJSA-N -1 0 413.477 4.841 40 10 HJCBRM Oc1cccnc1N[C@H](c1ccc(OC(F)F)cc1)c1ccc2cccnc2c1O ZINC000054114290 569010007 /nfs/dbraw/zinc/01/00/07/569010007.db2.gz CYIOQPFKBMXKKE-GOSISDBHSA-N -1 0 409.392 4.844 40 10 HJCBRM Cc1cccc(COc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2Cl)c1 ZINC000033784651 569360514 /nfs/dbraw/zinc/36/05/14/569360514.db2.gz HTUBIANPYCHRJX-MOSHPQCFSA-N -1 0 418.880 4.689 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(C)c1O ZINC000038165662 569360798 /nfs/dbraw/zinc/36/07/98/569360798.db2.gz CSAPDMPGFMBXCD-NTUHNPAUSA-N -1 0 421.305 4.987 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000002306616 132252188 /nfs/dbraw/zinc/25/21/88/132252188.db2.gz WLNAAQCSGIJNLH-SFQUDFHCSA-N -1 0 424.865 4.751 40 10 HJCBRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)o2)cc1 ZINC000008842991 132333672 /nfs/dbraw/zinc/33/36/72/132333672.db2.gz LUWUJCLHJSRVKC-CPNJWEJPSA-N -1 0 418.474 4.714 40 10 HJCBRM CCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1 ZINC000041083178 519947154 /nfs/dbraw/zinc/94/71/54/519947154.db2.gz VTAIELINZQXUGT-AOWWYSRTSA-N -1 0 411.314 4.898 40 10 HJCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)cc(Cl)c3Cl)C2=O)c1 ZINC000408742723 557808850 /nfs/dbraw/zinc/80/88/50/557808850.db2.gz XYZVIGOPBICGGH-QPEQYQDCSA-N -1 0 409.656 4.622 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SCc4ccco4)o3)C2=O)cc1 ZINC000033247984 558916633 /nfs/dbraw/zinc/91/66/33/558916633.db2.gz IHYNCTQDTAHGHO-GZTJUZNOSA-N -1 0 408.435 4.980 40 10 HJCBRM COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21 ZINC000004959439 560616476 /nfs/dbraw/zinc/61/64/76/560616476.db2.gz NZGRRGAZVGOZOV-IQUTYRLHSA-N -1 0 400.272 4.982 40 10 HJCBRM Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccccc2F)cc1 ZINC000408763104 560629439 /nfs/dbraw/zinc/62/94/39/560629439.db2.gz DOMBZEBCCMXUHZ-KGENOOAVSA-N -1 0 400.409 4.667 40 10 HJCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000408803155 560643016 /nfs/dbraw/zinc/64/30/16/560643016.db2.gz LUCFZELTAGLDHL-CPNJWEJPSA-N -1 0 420.852 4.558 40 10 HJCBRM COc1ccccc1C1=N/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N1c1cccc(C)c1 ZINC000408841872 560646141 /nfs/dbraw/zinc/64/61/41/560646141.db2.gz IHYWPVZIKYKURG-RCCKNPSSSA-N -1 0 412.445 4.536 40 10 HJCBRM CC[C@H](C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000408893539 560650399 /nfs/dbraw/zinc/65/03/99/560650399.db2.gz BAFGIYFWYWVWGB-RSZPVBOMSA-N -1 0 415.493 4.896 40 10 HJCBRM Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000408902647 560652194 /nfs/dbraw/zinc/65/21/94/560652194.db2.gz PENPMMJNHPHJPA-HYARGMPZSA-N -1 0 413.477 4.907 40 10 HJCBRM Cc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1N1CCCC1 ZINC000409103868 560675514 /nfs/dbraw/zinc/67/55/14/560675514.db2.gz HKLDUEBDSQPADB-XDHOZWIPSA-N -1 0 424.547 4.699 40 10 HJCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1C(C)C ZINC000409246830 560701576 /nfs/dbraw/zinc/70/15/76/560701576.db2.gz FARJVDDOSIPHKZ-XDHOZWIPSA-N -1 0 422.550 4.575 40 10 HJCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1C1CCCCC1 ZINC000409247300 560701746 /nfs/dbraw/zinc/70/17/46/560701746.db2.gz MEFFCYCMSLGEFT-XSFVSMFZSA-N -1 0 421.566 4.750 40 10 HJCBRM CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(C(=O)OCC)cc1 ZINC000103918916 560734866 /nfs/dbraw/zinc/73/48/66/560734866.db2.gz MRQZMZYXHLEKBY-QNGOZBTKSA-N -1 0 409.461 4.891 40 10 HJCBRM CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 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HFZTXJGAHHBJTM-ZROIWOOFSA-N -1 0 405.241 4.929 40 10 HJCBRM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] ZINC000017092075 558820613 /nfs/dbraw/zinc/82/06/13/558820613.db2.gz RSCCJZDWCKPHRS-XFFZJAGNSA-N -1 0 420.208 4.717 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Cc1ccccc1Cl ZINC000408877567 560649474 /nfs/dbraw/zinc/64/94/74/560649474.db2.gz VUFBVALLJWQPPT-HMMYKYKNSA-N -1 0 416.864 4.597 40 10 HJCBRM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(OC)cc1OC ZINC000112286393 560777849 /nfs/dbraw/zinc/77/78/49/560777849.db2.gz PQBRYRBQXOPMDI-JCMHNJIXSA-N -1 0 409.486 4.601 40 10 HJCBRM COc1ccc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)c3ccccc3)ccc2c1 ZINC000223650955 568554899 /nfs/dbraw/zinc/55/48/99/568554899.db2.gz DZNTVBNIFMRAOQ-UHFFFAOYSA-N -1 0 417.486 4.880 40 10 HJCBRM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)c1 ZINC000059138116 568701407 /nfs/dbraw/zinc/70/14/07/568701407.db2.gz XGKOKTDBAUAPND-QGOAFFKASA-N -1 0 409.511 4.558 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000059138528 568701507 /nfs/dbraw/zinc/70/15/07/568701507.db2.gz GNFKIQQQEGMAHY-JLHYYAGUSA-N -1 0 420.252 4.693 40 10 HJCBRM COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@H]21 ZINC000013389181 569255313 /nfs/dbraw/zinc/25/53/13/569255313.db2.gz NZGRRGAZVGOZOV-PJIJBLCYSA-N -1 0 400.272 4.982 40 10 HJCBRM CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000107966952 569361278 /nfs/dbraw/zinc/36/12/78/569361278.db2.gz OPKCZLGFMXILBR-CDCQXCROSA-N -1 0 405.281 4.632 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001899776 132248478 /nfs/dbraw/zinc/24/84/78/132248478.db2.gz SJTGIHGCRKYWMP-LDADJPATSA-N -1 0 421.403 4.879 40 10 HJCBRM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S ZINC000005371918 557647970 /nfs/dbraw/zinc/64/79/70/557647970.db2.gz ZRNRPCTXMNDZJT-BFTHVDOESA-N -1 0 404.340 4.838 40 10 HJCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1C1CCCCC1 ZINC000408741632 557808688 /nfs/dbraw/zinc/80/86/88/557808688.db2.gz RFTYQXOYCCYBFK-KGENOOAVSA-N -1 0 421.566 4.750 40 10 HJCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C1CCCC1 ZINC000408771555 560638816 /nfs/dbraw/zinc/63/88/16/560638816.db2.gz HHHWQDUBCVYAIG-FYJGNVAPSA-N -1 0 421.566 4.668 40 10 HJCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1C1CCCC1 ZINC000408772151 560639155 /nfs/dbraw/zinc/63/91/55/560639155.db2.gz DJRYZKSAQZLIIL-DEDYPNTBSA-N -1 0 421.566 4.668 40 10 HJCBRM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000408791323 560641918 /nfs/dbraw/zinc/64/19/18/560641918.db2.gz WAABEOLYECKTCX-HZHRSRAPSA-N -1 0 412.445 4.770 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1C ZINC000408851064 560647254 /nfs/dbraw/zinc/64/72/54/560647254.db2.gz VNTZWWIYMZLPJP-XDHOZWIPSA-N -1 0 420.852 4.883 40 10 HJCBRM Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)o1 ZINC000408913740 560653660 /nfs/dbraw/zinc/65/36/60/560653660.db2.gz NJYVKEJQEMOTIJ-WOJGMQOQSA-N -1 0 424.815 4.714 40 10 HJCBRM COc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)c1 ZINC000408945924 560656542 /nfs/dbraw/zinc/65/65/42/560656542.db2.gz LWFJOVHLCQIMDI-UHFFFAOYSA-N -1 0 400.272 4.933 40 10 HJCBRM COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)N=C2c2ccc(C)cc2)cc1 ZINC000408994761 560663278 /nfs/dbraw/zinc/66/32/78/560663278.db2.gz IPSUVUBWRAJOCC-PXLXIMEGSA-N -1 0 412.445 4.536 40 10 HJCBRM CCCCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000409003092 560664089 /nfs/dbraw/zinc/66/40/89/560664089.db2.gz DGEQUPFHEJCXNW-PGMHBOJBSA-N -1 0 414.461 4.685 40 10 HJCBRM O=C([O-])c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]21 ZINC000409165026 560686091 /nfs/dbraw/zinc/68/60/91/560686091.db2.gz RESDWLSAMPAKRK-SNUQEOBHSA-N -1 0 417.246 4.816 40 10 HJCBRM O=C([N-]N1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S)c1cccs1 ZINC000409331878 560710438 /nfs/dbraw/zinc/71/04/38/560710438.db2.gz PEMHNCLEYRGBTK-YRNVUSSQSA-N -1 0 415.348 4.601 40 10 HJCBRM O=C([O-])[C@@H]1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2[C@H]2C=CC[C@@H]21 ZINC000004331717 568418351 /nfs/dbraw/zinc/41/83/51/568418351.db2.gz PREIJVXDCSNASS-ZJNRKIDTSA-N -1 0 404.249 4.751 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000033330770 568696838 /nfs/dbraw/zinc/69/68/38/568696838.db2.gz UJPFGEXOYHJRMP-DEDYPNTBSA-N -1 0 409.461 4.868 40 10 HJCBRM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000010302085 569343319 /nfs/dbraw/zinc/34/33/19/569343319.db2.gz BINMORUGQUBNGE-UHFFFAOYSA-N -1 0 419.861 4.520 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000034713540 569360601 /nfs/dbraw/zinc/36/06/01/569360601.db2.gz IECROHAGXMYWET-UNOMPAQXSA-N -1 0 422.843 4.520 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 ZINC000008557338 132330313 /nfs/dbraw/zinc/33/03/13/132330313.db2.gz MBJHPHBCKZUNPV-PDGQHHTCSA-N -1 0 406.825 4.575 40 10 HJCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccc3ccccc3c2)C1=O ZINC000009265354 132337920 /nfs/dbraw/zinc/33/79/20/132337920.db2.gz NLCSUXVGAKCSIK-JWGURIENSA-N -1 0 421.456 4.605 40 10 HJCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000005372359 557648056 /nfs/dbraw/zinc/64/80/56/557648056.db2.gz OEKVCIPTQQMMEU-NVNXTCNLSA-N -1 0 407.875 4.892 40 10 HJCBRM CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000005374200 557648278 /nfs/dbraw/zinc/64/82/78/557648278.db2.gz MPKRQKMZUJJWBH-OQTCTZCMSA-N -1 0 404.340 4.694 40 10 HJCBRM O=C([O-])c1cc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)ccc1O ZINC000008828324 557811226 /nfs/dbraw/zinc/81/12/26/557811226.db2.gz UFPDLVIUTNXDNN-FNOQKXNMSA-N -1 0 417.895 4.619 40 10 HJCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)cc1 ZINC000408763442 560629379 /nfs/dbraw/zinc/62/93/79/560629379.db2.gz FDCWVGQLEINLJV-XSFVSMFZSA-N -1 0 402.837 4.873 40 10 HJCBRM CCn1c2ccccc2c2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)ccc21 ZINC000408899779 560651071 /nfs/dbraw/zinc/65/10/71/560651071.db2.gz QGYSDZRENDECJD-RCCKNPSSSA-N -1 0 423.472 4.789 40 10 HJCBRM CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)C(=O)[N-]C2=S)cc1 ZINC000409369552 560716626 /nfs/dbraw/zinc/71/66/26/560716626.db2.gz CUEAFWPIVPWNAD-CJLVFECKSA-N -1 0 412.514 4.747 40 10 HJCBRM CCCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(C(=O)OCC)cc1 ZINC000103918911 560734897 /nfs/dbraw/zinc/73/48/97/560734897.db2.gz JGCIJSWMUSWVTG-JWGURIENSA-N -1 0 421.497 4.761 40 10 HJCBRM COC(=O)c1ccc(N=C(C)c2c(-c3ccccc3)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000017088862 560863836 /nfs/dbraw/zinc/86/38/36/560863836.db2.gz OCDDMUPPXMYINU-XLNRJJMWSA-N -1 0 411.461 4.610 40 10 HJCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@@H]21 ZINC000058928850 568700088 /nfs/dbraw/zinc/70/00/88/568700088.db2.gz AUHSJGBDOUPCQJ-VBHSOAQHSA-N -1 0 414.255 4.703 40 10 HJCBRM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S ZINC000054360926 569072280 /nfs/dbraw/zinc/07/22/80/569072280.db2.gz YSMSNURKAJQZML-MKRLJBPISA-N -1 0 420.943 4.733 40 10 HJCBRM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000002215456 569310482 /nfs/dbraw/zinc/31/04/82/569310482.db2.gz OTCLIHGIDCLIND-FIOICXDGSA-N -1 0 419.525 4.713 40 10 HJCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C2=O)c1C ZINC000033702448 569360300 /nfs/dbraw/zinc/36/03/00/569360300.db2.gz OIIHWOMTODNVMA-LDADJPATSA-N -1 0 421.472 4.858 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 ZINC000033651219 569360355 /nfs/dbraw/zinc/36/03/55/569360355.db2.gz RZWDGCJYJUSSCS-LDADJPATSA-N -1 0 407.445 4.549 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(C)c1O ZINC000038163798 569360751 /nfs/dbraw/zinc/36/07/51/569360751.db2.gz UUABRQHKSVLBSE-XYOKQWHBSA-N -1 0 405.237 4.823 40 10 HJCBRM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000012032593 558311438 /nfs/dbraw/zinc/31/14/38/558311438.db2.gz RTCLCTZDAZPLDH-KQGZCTBQSA-N -1 0 407.875 4.506 40 10 HJCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1 ZINC000012125609 558331397 /nfs/dbraw/zinc/33/13/97/558331397.db2.gz BFFUURJKVUVRQJ-ZSOIEALJSA-N -1 0 420.309 4.553 40 10 HJCBRM O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2cccnc21 ZINC000018206232 558833349 /nfs/dbraw/zinc/83/33/49/558833349.db2.gz IOROHHFNXSCMPV-WCWDXBQESA-N -1 0 405.439 4.552 40 10 HJCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000058928811 558930933 /nfs/dbraw/zinc/93/09/33/558930933.db2.gz UEZDFUOHJKCJQX-KEYYUXOJSA-N -1 0 415.243 4.882 40 10 HJCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)c1C ZINC000408760974 559276082 /nfs/dbraw/zinc/27/60/82/559276082.db2.gz BPFXWWGMHHZEDK-QGOAFFKASA-N -1 0 418.474 4.714 40 10 HJCBRM CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408806363 560642586 /nfs/dbraw/zinc/64/25/86/560642586.db2.gz IXANWQZFQNBNSU-RCCKNPSSSA-N -1 0 414.461 4.603 40 10 HJCBRM 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/nfs/dbraw/zinc/45/44/44/568454444.db2.gz OCIKZZVAZLUVMG-ZNMIVQPWSA-N -1 0 421.559 4.658 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000034713544 569360555 /nfs/dbraw/zinc/36/05/55/569360555.db2.gz OEZJJXQYJSMCIE-UNOMPAQXSA-N -1 0 422.843 4.520 40 10 HJCBRM O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000005372324 557648073 /nfs/dbraw/zinc/64/80/73/557648073.db2.gz WSSSRIBCZXBPSW-VKAVYKQESA-N -1 0 406.573 4.878 40 10 HJCBRM Cc1ccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408766442 560630094 /nfs/dbraw/zinc/63/00/94/560630094.db2.gz QQRPWUSWHXYYKG-KGENOOAVSA-N -1 0 400.409 4.667 40 10 HJCBRM CC(=C\c1ccccc1)/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000408856300 560647847 /nfs/dbraw/zinc/64/78/47/560647847.db2.gz QDMLYWVFVWBBGU-NCPBJGSTSA-N -1 0 417.317 4.771 40 10 HJCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl ZINC000408990738 560662202 /nfs/dbraw/zinc/66/22/02/560662202.db2.gz YKFIVVHCOUGWJG-SDQBBNPISA-N -1 0 409.656 4.622 40 10 HJCBRM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1 ZINC000409100914 560677082 /nfs/dbraw/zinc/67/70/82/560677082.db2.gz VYLVFQVMTCIDNM-AQTBWJFISA-N -1 0 406.488 4.581 40 10 HJCBRM O=C([O-])Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21 ZINC000409124819 560680793 /nfs/dbraw/zinc/68/07/93/560680793.db2.gz KUFQXBJTBTWCJV-WQRHYEAKSA-N -1 0 414.552 4.507 40 10 HJCBRM O=C1[N-]C(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409207573 560691480 /nfs/dbraw/zinc/69/14/80/560691480.db2.gz WUTIEWRLUNGPAL-UVTDQMKNSA-N -1 0 419.264 4.658 40 10 HJCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2c(Cl)cccc2Cl)C1=O ZINC000409218634 560697890 /nfs/dbraw/zinc/69/78/90/560697890.db2.gz WPJIWIOFXBKQPR-XYOKQWHBSA-N -1 0 409.656 4.622 40 10 HJCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cn(C(C)C)c3ccccc23)C1=O ZINC000409247175 560701601 /nfs/dbraw/zinc/70/16/01/560701601.db2.gz GROOVHQXPNHCKJ-GZTJUZNOSA-N -1 0 421.884 4.850 40 10 HJCBRM O=C([O-])COc1ccccc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000409329191 560710022 /nfs/dbraw/zinc/71/00/22/560710022.db2.gz DTILUKFFVMHSAR-UNOMPAQXSA-N -1 0 421.499 4.709 40 10 HJCBRM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccccc1 ZINC000100525252 560725133 /nfs/dbraw/zinc/72/51/33/560725133.db2.gz DCEWLGWTZTTZSD-BFQBXFRASA-N -1 0 406.427 4.593 40 10 HJCBRM COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000059135707 568701143 /nfs/dbraw/zinc/70/11/43/568701143.db2.gz MPRHUTXDIBRKNU-VBKFSLOCSA-N -1 0 406.438 4.659 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccccc1 ZINC000059135626 568701217 /nfs/dbraw/zinc/70/12/17/568701217.db2.gz DZLLQIYGQXODBL-XSFVSMFZSA-N -1 0 416.408 4.911 40 10 HJCBRM Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)c(C)c1 ZINC000059138126 568701502 /nfs/dbraw/zinc/70/15/02/568701502.db2.gz FMZYAWIINGXJAB-GHRIWEEISA-N -1 0 409.511 4.558 40 10 HJCBRM CC(C)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc12 ZINC000059109568 568703835 /nfs/dbraw/zinc/70/38/35/568703835.db2.gz FSWHCRHDTNKDNI-KGENOOAVSA-N -1 0 420.509 4.669 40 10 HJCBRM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000408537597 557348792 /nfs/dbraw/zinc/34/87/92/557348792.db2.gz GDHBYAHVFJOXRF-RCCKNPSSSA-N -1 0 407.429 4.572 40 10 HJCBRM O=C([O-])/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1 ZINC000408633224 557585923 /nfs/dbraw/zinc/58/59/23/557585923.db2.gz JCTPKNOQPPECEK-CPNJWEJPSA-N -1 0 424.482 4.679 40 10 HJCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000408740410 557806146 /nfs/dbraw/zinc/80/61/46/557806146.db2.gz KCUDYIKQIKTSOG-HAHDFKILSA-N -1 0 422.440 4.668 40 10 HJCBRM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2cccc(Br)c2)S1 ZINC000008964450 557816585 /nfs/dbraw/zinc/81/65/85/557816585.db2.gz NMZBBBHZYRZQKN-NVNXTCNLSA-N -1 0 417.284 4.538 40 10 HJCBRM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S ZINC000012032594 558311458 /nfs/dbraw/zinc/31/14/58/558311458.db2.gz RTCLCTZDAZPLDH-MZLJFPOFSA-N -1 0 407.875 4.506 40 10 HJCBRM CC(C)(C)c1cc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc(C(C)(C)C)c1O ZINC000013547870 558538478 /nfs/dbraw/zinc/53/84/78/558538478.db2.gz ZOFPENMQBWAWPW-PTNGSMBKSA-N -1 0 421.584 4.663 40 10 HJCBRM COc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000083318973 558833671 /nfs/dbraw/zinc/83/36/71/558833671.db2.gz UUOGTQOONIEITN-DEDYPNTBSA-N -1 0 400.434 4.972 40 10 HJCBRM Cn1c(=O)c(C2=Nc3ccccc3N[C@@H](c3ccccc3O)C2)c([O-])c2ccccc21 ZINC000104827589 559161689 /nfs/dbraw/zinc/16/16/89/559161689.db2.gz OZDZDKSFNANSLU-LJQANCHMSA-N -1 0 411.461 4.627 40 10 HJCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)[N-]C2=S)c1 ZINC000408761887 559276254 /nfs/dbraw/zinc/27/62/54/559276254.db2.gz HPEWVCMAFQCNAU-QGOAFFKASA-N -1 0 420.515 4.571 40 10 HJCBRM CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000408802339 560642760 /nfs/dbraw/zinc/64/27/60/560642760.db2.gz ZHCQCEADQNUOPT-XSFVSMFZSA-N -1 0 414.461 4.522 40 10 HJCBRM CC[C@@H](C)n1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000408918974 560654550 /nfs/dbraw/zinc/65/45/50/560654550.db2.gz RKDMDIABCBECFR-VCRXTVNUSA-N -1 0 421.497 4.583 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000409078928 560674408 /nfs/dbraw/zinc/67/44/08/560674408.db2.gz JFZPZDABFSTOIR-ATVHPVEESA-N -1 0 424.865 4.751 40 10 HJCBRM Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)[O-])o2)SC1=S ZINC000409200073 560692457 /nfs/dbraw/zinc/69/24/57/560692457.db2.gz GNRVVBHFPFVHHD-WQRHYEAKSA-N -1 0 424.503 4.601 40 10 HJCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)C1=O ZINC000409222471 560698823 /nfs/dbraw/zinc/69/88/23/560698823.db2.gz XGXMZMJPEGUZAZ-LFIBNONCSA-N -1 0 424.815 4.714 40 10 HJCBRM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=C1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000019797719 560875908 /nfs/dbraw/zinc/87/59/08/560875908.db2.gz MEKUUHGSMDDPRP-UNOMPAQXSA-N -1 0 420.900 4.963 40 10 HJCBRM Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000059336648 568705109 /nfs/dbraw/zinc/70/51/09/568705109.db2.gz NKGYWDJJCNPRKD-LDADJPATSA-N -1 0 422.437 4.545 40 10 HJCBRM CCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000059860784 568709228 /nfs/dbraw/zinc/70/92/28/568709228.db2.gz NPPQLUZAWOKKDV-SFQUDFHCSA-N -1 0 408.454 4.608 40 10 HJCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C(C)C ZINC000009263165 132337799 /nfs/dbraw/zinc/33/77/99/132337799.db2.gz VUQKVESYGRULNK-ZROIWOOFSA-N -1 0 420.296 4.659 40 10 HJCBRM Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000409024506 560667828 /nfs/dbraw/zinc/66/78/28/560667828.db2.gz ZMRBZYXZTVOUAY-CAOOACKPSA-N -1 0 418.902 4.890 40 10 HJCBRM COc1cc(C)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1C(C)C ZINC000409146419 560684648 /nfs/dbraw/zinc/68/46/48/560684648.db2.gz SORUIFDLHABYKH-XDHOZWIPSA-N -1 0 422.550 4.575 40 10 HJCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000409217562 560697597 /nfs/dbraw/zinc/69/75/97/560697597.db2.gz QCBKXVAAEMXTRO-KPKJPENVSA-N -1 0 409.656 4.622 40 10 HJCBRM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc12 ZINC000059135956 568701197 /nfs/dbraw/zinc/70/11/97/568701197.db2.gz PNXFKLMXIWGFOZ-FOWTUZBSSA-N -1 0 406.438 4.659 40 10 HJCBRM COc1ccc(N2C(=O)C(=Cc3ccc(-c4cccc(F)c4)o3)C(=O)[N-]C2=S)cc1 ZINC000096476888 568721632 /nfs/dbraw/zinc/72/16/32/568721632.db2.gz YDHQXDMMXCJRHG-LDADJPATSA-N -1 0 422.437 4.766 40 10 HJCBRM O=C([O-])c1ccc(-n2cccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000096868527 568721997 /nfs/dbraw/zinc/72/19/97/568721997.db2.gz PPGITVMYOIYPMS-QGOAFFKASA-N -1 0 406.488 4.581 40 10 HJCBRM Oc1cccnc1N[C@@H](c1ccc(OC(F)F)cc1)c1ccc2cccnc2c1O ZINC000054114293 569009998 /nfs/dbraw/zinc/00/99/98/569009998.db2.gz CYIOQPFKBMXKKE-SFHVURJKSA-N -1 0 409.392 4.844 40 10 HJCBRM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F ZINC000408695761 557710131 /nfs/dbraw/zinc/71/01/31/557710131.db2.gz YSNMCVBXBYCQPC-UHFFFAOYSA-N -1 0 419.861 4.520 40 10 HJCBRM O=C([O-])c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408758579 559271309 /nfs/dbraw/zinc/27/13/09/559271309.db2.gz MYYZOTRPUWQKIS-XSFVSMFZSA-N -1 0 402.837 4.873 40 10 HJCBRM COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21 ZINC000004959441 560616483 /nfs/dbraw/zinc/61/64/83/560616483.db2.gz NZGRRGAZVGOZOV-CKFHNAJUSA-N -1 0 400.272 4.982 40 10 HJCBRM CC[C@H](C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 ZINC000408895213 560650636 /nfs/dbraw/zinc/65/06/36/560650636.db2.gz CYQJUDCXWTYMLG-UOEVCUDDSA-N -1 0 401.466 4.587 40 10 HJCBRM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)[N-]C1=S ZINC000409105129 560678380 /nfs/dbraw/zinc/67/83/80/560678380.db2.gz GOKKQAXYFDWJQE-FOWTUZBSSA-N -1 0 422.893 4.740 40 10 HJCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C(C)C ZINC000409241429 560702318 /nfs/dbraw/zinc/70/23/18/560702318.db2.gz NGGOUEPRUHPXJR-UDWIEESQSA-N -1 0 409.555 4.641 40 10 HJCBRM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 ZINC000100511031 560725476 /nfs/dbraw/zinc/72/54/76/560725476.db2.gz NHZJPKFQCYJGCD-KGNHYALCSA-N -1 0 420.454 4.902 40 10 HJCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001186986 560727717 /nfs/dbraw/zinc/72/77/17/560727717.db2.gz OVMMVVBCGKLMPL-YBFXNURJSA-N -1 0 423.856 4.843 40 10 HJCBRM Cc1ccc(N2C(=O)C(=Cc3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)cc1C ZINC000059138129 568701355 /nfs/dbraw/zinc/70/13/55/568701355.db2.gz WIJOKZAZJXJKPS-QGOAFFKASA-N -1 0 409.511 4.558 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000059194198 568702365 /nfs/dbraw/zinc/70/23/65/568702365.db2.gz YFSWZNRGISMISF-QGOAFFKASA-N -1 0 422.843 4.520 40 10 HJCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)cc1 ZINC000002211115 536183786 /nfs/dbraw/zinc/18/37/86/536183786.db2.gz WJNBAZUTAPAPDG-XMHGGMMESA-N -1 0 418.474 4.660 40 10 HJCBRM CC(C)c1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000005374238 557648451 /nfs/dbraw/zinc/64/84/51/557648451.db2.gz SHOTYJRRTHYCQY-UZNZLNSGSA-N -1 0 411.548 4.707 40 10 HJCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)[N-]C2=S)cc1 ZINC000408740199 557806205 /nfs/dbraw/zinc/80/62/05/557806205.db2.gz DTHLFJDYKGVYHD-LDADJPATSA-N -1 0 422.893 4.740 40 10 HJCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000408765955 560629990 /nfs/dbraw/zinc/62/99/90/560629990.db2.gz SCZOUEXBFIRVEF-SFQUDFHCSA-N -1 0 424.865 4.751 40 10 HJCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC(C)C)ccc4ccccc43)C2=O)c1 ZINC000408813755 560644940 /nfs/dbraw/zinc/64/49/40/560644940.db2.gz YLGOWHVXZSRBFV-KGENOOAVSA-N -1 0 414.461 4.602 40 10 HJCBRM Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)cc2)c1 ZINC000408865927 560648336 /nfs/dbraw/zinc/64/83/36/560648336.db2.gz DYFVWNATGARWMW-XQNSMLJCSA-N -1 0 410.473 4.561 40 10 HJCBRM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2[nH]c3ccccc3c2c1 ZINC000408898368 560651689 /nfs/dbraw/zinc/65/16/89/560651689.db2.gz LSQSCKWWXIHJJJ-LDADJPATSA-N -1 0 415.836 4.641 40 10 HJCBRM O=C(Nc1ccccc1)c1c([N-]S(=O)(=O)c2ccccc2)sc2c1CCCC2 ZINC000409072640 560673477 /nfs/dbraw/zinc/67/34/77/560673477.db2.gz QXOFCTNZXLFMBY-UHFFFAOYSA-N -1 0 412.536 4.680 40 10 HJCBRM Cc1cccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)[N-]C2=S)c1C ZINC000409134023 560682174 /nfs/dbraw/zinc/68/21/74/560682174.db2.gz RMSMYLYHRAQPTA-XDHOZWIPSA-N -1 0 417.534 4.670 40 10 HJCBRM Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)[N-]C2=S)c1 ZINC000409233728 560700813 /nfs/dbraw/zinc/70/08/13/560700813.db2.gz HOFJWDMJPOXZSB-LDADJPATSA-N -1 0 420.465 4.534 40 10 HJCBRM COc1cccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000004517432 560735610 /nfs/dbraw/zinc/73/56/10/560735610.db2.gz XRTUSUILGIQLDU-VKJFTORMSA-N -1 0 400.272 4.982 40 10 HJCBRM Cc1cccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)c1C ZINC000059104510 568700249 /nfs/dbraw/zinc/70/02/49/568700249.db2.gz DVUJZWKSELBNNJ-RGEXLXHISA-N -1 0 405.523 4.575 40 10 HJCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000108925654 569361196 /nfs/dbraw/zinc/36/11/96/569361196.db2.gz XIEQCUHFFIDWMP-MOSHPQCFSA-N -1 0 422.843 4.520 40 10 HJCBRM O=C([O-])COc1ccc(C=C2SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc1 ZINC000210412266 569361654 /nfs/dbraw/zinc/36/16/54/569361654.db2.gz MFCWFAHZZOHNOM-ZSOIEALJSA-N -1 0 423.277 4.539 40 10 HJCBRM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408586828 557493346 /nfs/dbraw/zinc/49/33/46/557493346.db2.gz RPPMMDAQGFIVCT-UHFFFAOYSA-N -1 0 415.898 4.689 40 10 HJCBRM CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S ZINC000005374198 557648285 /nfs/dbraw/zinc/64/82/85/557648285.db2.gz MPKRQKMZUJJWBH-HIAXIYLWSA-N -1 0 404.340 4.694 40 10 HJCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)c1 ZINC000408740810 557806550 /nfs/dbraw/zinc/80/65/50/557806550.db2.gz MUSWJFYHESAEKU-HAHDFKILSA-N -1 0 406.441 4.968 40 10 HJCBRM Cc1cccc(C2=N/C(=C/c3ccc(C(=O)[O-])cc3)C(=O)N2c2ccc(F)cc2)c1 ZINC000408764652 560629641 /nfs/dbraw/zinc/62/96/41/560629641.db2.gz XZXINZMWUFWBGD-KGENOOAVSA-N -1 0 400.409 4.667 40 10 HJCBRM CCCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000408805864 560643407 /nfs/dbraw/zinc/64/34/07/560643407.db2.gz LXFFORJRKKBYOM-HMMYKYKNSA-N -1 0 414.461 4.603 40 10 HJCBRM O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408966737 560658778 /nfs/dbraw/zinc/65/87/78/560658778.db2.gz NUICCCAWMHMBOA-RMKNXTFCSA-N -1 0 417.726 4.540 40 10 HJCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C2=O)cc1 ZINC000408984528 560661923 /nfs/dbraw/zinc/66/19/23/560661923.db2.gz IVQOAYDCBHHPMQ-JCMHNJIXSA-N -1 0 419.525 4.839 40 10 HJCBRM Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O ZINC000409093912 560674589 /nfs/dbraw/zinc/67/45/89/560674589.db2.gz BPCFDVRAUAZUJX-CPNJWEJPSA-N -1 0 424.547 4.699 40 10 HJCBRM COc1ccc(-c2[n-]n(-c3ccc(F)cc3)c(=O)c2C(C)=Nc2cccc(C)n2)cc1 ZINC000103921417 560735144 /nfs/dbraw/zinc/73/51/44/560735144.db2.gz OIDUETHTDXQIRC-JWGURIENSA-N -1 0 416.456 4.675 40 10 HJCBRM CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)OC(C)C)C1 ZINC000005954122 568454471 /nfs/dbraw/zinc/45/44/71/568454471.db2.gz OCIKZZVAZLUVMG-KKUMJFAQSA-N -1 0 421.559 4.658 40 10 HJCBRM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000033422408 568697293 /nfs/dbraw/zinc/69/72/93/568697293.db2.gz CDOVPJMXCLCMMR-DHDCSXOGSA-N -1 0 400.887 4.637 40 10 HJCBRM O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000058928806 568700136 /nfs/dbraw/zinc/70/01/36/568700136.db2.gz ZFSPKJBAOZBABT-BWACUDIHSA-N -1 0 415.243 4.882 40 10 HJCBRM Cc1ccc(C)n1-c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000257278871 568798083 /nfs/dbraw/zinc/79/80/83/568798083.db2.gz OEAMPNGUPFUCCT-UHFFFAOYSA-N -1 0 423.321 4.520 40 10 HJCBRM