smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000431515079 936374561 /nfs/dbraw/zinc/37/45/61/936374561.db2.gz WQWBVWMFEVPYIM-UHFFFAOYSA-N -1 0 355.390 3.530 20 30 FHEDRM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000583056631 937083728 /nfs/dbraw/zinc/08/37/28/937083728.db2.gz QJKGPCLYCQUKJK-UHFFFAOYSA-N -1 0 350.440 3.751 20 30 FHEDRM CCCCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000471134493 927683674 /nfs/dbraw/zinc/68/36/74/927683674.db2.gz WRXULZLVNBHIGS-UHFFFAOYSA-N -1 0 359.407 3.610 20 30 FHEDRM CC(C)(C)c1ccc(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)o2)cc1 ZINC000175295477 927704477 /nfs/dbraw/zinc/70/44/77/927704477.db2.gz LICVXRINTFDSEF-UHFFFAOYSA-N -1 0 359.389 3.963 20 30 FHEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(F)cccc2Cl)cc1 ZINC000042247648 927712424 /nfs/dbraw/zinc/71/24/24/927712424.db2.gz XASVYGNRBTVVEM-UHFFFAOYSA-N -1 0 371.817 3.766 20 30 FHEDRM CN(C)c1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1Cl ZINC000654996560 927792219 /nfs/dbraw/zinc/79/22/19/927792219.db2.gz ZQPGSKABSLCWFF-LLVKDONJSA-N -1 0 368.746 3.705 20 30 FHEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2oc(C)c(C)c2c1 ZINC000187056335 927877293 /nfs/dbraw/zinc/87/72/93/927877293.db2.gz RDJPKQPFUUHSIQ-UHFFFAOYSA-N -1 0 356.403 3.731 20 30 FHEDRM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610192314 927886777 /nfs/dbraw/zinc/88/67/77/927886777.db2.gz LURDACHMWUWEJP-UHFFFAOYSA-N -1 0 371.443 3.916 20 30 FHEDRM C[C@H]1CCCC1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000748081176 928582228 /nfs/dbraw/zinc/58/22/28/928582228.db2.gz KCFDVXLMKMJKHE-NSHDSACASA-N -1 0 350.469 3.532 20 30 FHEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000388400630 928839549 /nfs/dbraw/zinc/83/95/49/928839549.db2.gz MGMCDFKTOUOFAA-UHFFFAOYSA-N -1 0 357.218 3.674 20 30 FHEDRM CC(N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CCCC1 ZINC000748085714 928871098 /nfs/dbraw/zinc/87/10/98/928871098.db2.gz MOYAMHFHGZPZRE-UHFFFAOYSA-N -1 0 364.496 3.922 20 30 FHEDRM CC(=NNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000748085602 928896569 /nfs/dbraw/zinc/89/65/69/928896569.db2.gz JKAHUCSZSBOXLX-UHFFFAOYSA-N -1 0 372.475 3.780 20 30 FHEDRM Cc1cc(-c2ccc(F)cc2C#N)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000583274170 937306891 /nfs/dbraw/zinc/30/68/91/937306891.db2.gz PXXZDICBSNXTBA-HNNXBMFYSA-N -1 0 366.392 3.610 20 30 FHEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H](O)c2ccc(Cl)c(F)c2)c1[O-] ZINC000255020915 929228327 /nfs/dbraw/zinc/22/83/27/929228327.db2.gz LVOCYQJBQFIWQS-AUENHOEFSA-N -1 0 373.167 3.899 20 30 FHEDRM N#Cc1cc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)ccc1Cl ZINC000579883870 929611628 /nfs/dbraw/zinc/61/16/28/929611628.db2.gz BGTYLDZHVZDRLW-UHFFFAOYSA-N -1 0 368.201 3.807 20 30 FHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1nc(C(C)C)no1 ZINC000121075962 929790318 /nfs/dbraw/zinc/79/03/18/929790318.db2.gz QPUWESJHGMJSMF-AWEZNQCLSA-N -1 0 364.405 3.507 20 30 FHEDRM N#CC(=C([O-])c1coc(C2CCC2)n1)c1nc(-c2ccncc2)cs1 ZINC000683689386 929802044 /nfs/dbraw/zinc/80/20/44/929802044.db2.gz CGSLJJYQTMXUDT-ZDUSSCGKSA-N -1 0 350.403 3.951 20 30 FHEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3Cl)s2)c(F)c1 ZINC000580024648 929916646 /nfs/dbraw/zinc/91/66/46/929916646.db2.gz LVKWMDMUIVLMTE-UHFFFAOYSA-N -1 0 367.814 3.761 20 30 FHEDRM O=C(/C=C\c1cc2ccccc2o1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000255143598 929967436 /nfs/dbraw/zinc/96/74/36/929967436.db2.gz SKRHOKVQCZKNQT-VURMDHGXSA-N -1 0 363.413 3.867 20 30 FHEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](CC2CC2)c2ccccc2)cc1C#N ZINC000610355873 930107553 /nfs/dbraw/zinc/10/75/53/930107553.db2.gz FGKAKAXTCKFMIJ-MRXNPFEDSA-N -1 0 353.447 3.652 20 30 FHEDRM Cc1ccc(N=C2NC(=O)/C(=C/c3ccc([N+](=O)[O-])c([O-])c3)S2)c(C)c1 ZINC000748147099 930259616 /nfs/dbraw/zinc/25/96/16/930259616.db2.gz DQIHWWIIVWWRRF-SXGWCWSVSA-N -1 0 369.402 3.809 20 30 FHEDRM CCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)CO2 ZINC000748148736 930265734 /nfs/dbraw/zinc/26/57/34/930265734.db2.gz XAWLZLBCZWQICL-MDWZMJQESA-N -1 0 355.346 3.748 20 30 FHEDRM CCCn1nc(C)c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000134155041 930317651 /nfs/dbraw/zinc/31/76/51/930317651.db2.gz TWOMZCDYAKTPGU-ZDUSSCGKSA-N -1 0 350.344 3.814 20 30 FHEDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000325812004 930434734 /nfs/dbraw/zinc/43/47/34/930434734.db2.gz PPRGZBRYVXPJNQ-GFCCVEGCSA-N -1 0 359.241 3.684 20 30 FHEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000083791349 930864613 /nfs/dbraw/zinc/86/46/13/930864613.db2.gz OZOBQFLPKLVQJQ-UHFFFAOYSA-N -1 0 353.827 3.514 20 30 FHEDRM O=C(C=Cc1ccc2ccccc2n1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000083940116 931022520 /nfs/dbraw/zinc/02/25/20/931022520.db2.gz GOUYFELWVXGRFU-OUKQBFOZSA-N -1 0 366.442 3.777 20 30 FHEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1C#N ZINC000134300671 931030805 /nfs/dbraw/zinc/03/08/05/931030805.db2.gz KJORXLLJXPSCJR-UHFFFAOYSA-N -1 0 367.352 3.548 20 30 FHEDRM N#Cc1cc(Nc2ccc(S(=O)(=O)[O-])c3ccccc23)cc([N+](=O)[O-])c1 ZINC001211330438 931169553 /nfs/dbraw/zinc/16/95/53/931169553.db2.gz UOVXSBYYFLOPDD-UHFFFAOYSA-N -1 0 369.358 3.610 20 30 FHEDRM CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c[nH]1 ZINC000610479156 931568922 /nfs/dbraw/zinc/56/89/22/931568922.db2.gz HISLYUKPIWQVCA-GFCCVEGCSA-N -1 0 364.496 3.728 20 30 FHEDRM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c2cnn(C)c2n1 ZINC000430592103 931995627 /nfs/dbraw/zinc/99/56/27/931995627.db2.gz CBKOHRNCOXYXRU-LBPRGKRZSA-N -1 0 353.451 3.521 20 30 FHEDRM O=C([O-])C(=O)/C(=C\c1cc(F)c(F)cc1F)c1ccc2ccccc2n1 ZINC000255300258 932029512 /nfs/dbraw/zinc/02/95/12/932029512.db2.gz UYMGYUACKQKNDV-GHXNOFRVSA-N -1 0 357.287 3.846 20 30 FHEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(COc2ccccc2)cc1 ZINC000538016487 932206584 /nfs/dbraw/zinc/20/65/84/932206584.db2.gz KAHWZQCWKMTOOB-UHFFFAOYSA-N -1 0 364.426 3.938 20 30 FHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2csc(-c3cnccn3)n2)s1 ZINC000430627432 932392364 /nfs/dbraw/zinc/39/23/64/932392364.db2.gz NHDSIQIBYSINLH-JTQLQIEISA-N -1 0 369.475 3.844 20 30 FHEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000588421528 932394835 /nfs/dbraw/zinc/39/48/35/932394835.db2.gz QKWSFZXOQWHXBP-DAXSKMNVSA-N -1 0 361.737 3.608 20 30 FHEDRM CCc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3F)sc2c1 ZINC000535655499 933476750 /nfs/dbraw/zinc/47/67/50/933476750.db2.gz RTKBZSSGQBZACT-UHFFFAOYSA-N -1 0 361.423 3.670 20 30 FHEDRM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)sc1C ZINC000091050788 934051693 /nfs/dbraw/zinc/05/16/93/934051693.db2.gz DXTWLWCLSUZWIL-UHFFFAOYSA-N -1 0 359.523 3.546 20 30 FHEDRM N#Cc1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)c(F)c1 ZINC000091055081 934057322 /nfs/dbraw/zinc/05/73/22/934057322.db2.gz XUZDEPKBKAYOLO-UHFFFAOYSA-N -1 0 359.407 3.622 20 30 FHEDRM CSCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000548477633 934085253 /nfs/dbraw/zinc/08/52/53/934085253.db2.gz ODDBFFVFKMUKEB-UHFFFAOYSA-N -1 0 352.868 3.875 20 30 FHEDRM Cc1cccc(N=c2[n-]nc(SCc3ccnc(C#N)c3)s2)c1C ZINC000610957065 934656956 /nfs/dbraw/zinc/65/69/56/934656956.db2.gz ODACIBAJSUEJFE-UHFFFAOYSA-N -1 0 353.476 3.879 20 30 FHEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000684749813 935260164 /nfs/dbraw/zinc/26/01/64/935260164.db2.gz RKRPQDJNUSWULA-KRWDZBQOSA-N -1 0 358.369 3.728 20 30 FHEDRM O=C1CCc2cc(N=Cc3cc([N+](=O)[O-])ccc3[O-])ccc2N1CC1CC1 ZINC000588506973 935313620 /nfs/dbraw/zinc/31/36/20/935313620.db2.gz PZEYEHIWTKYEES-UHFFFAOYSA-N -1 0 365.389 3.740 20 30 FHEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)ccc1Cl ZINC000085235246 935377817 /nfs/dbraw/zinc/37/78/17/935377817.db2.gz IOPYUZYDXGFSCJ-UHFFFAOYSA-N -1 0 359.794 3.667 20 30 FHEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(-c2ccccc2Cl)o1 ZINC000051651622 935644412 /nfs/dbraw/zinc/64/44/12/935644412.db2.gz SHDVOZGKTJFWJI-AWEZNQCLSA-N -1 0 356.809 3.981 20 30 FHEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000158393324 935768484 /nfs/dbraw/zinc/76/84/84/935768484.db2.gz DOENKQSTMCZBJJ-LJQANCHMSA-N -1 0 355.482 3.694 20 30 FHEDRM C=C[C@@H](CC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000431451733 935832546 /nfs/dbraw/zinc/83/25/46/935832546.db2.gz ZRJZBNAZWMKXEW-HNNXBMFYSA-N -1 0 361.401 3.869 20 30 FHEDRM COc1ccc(Br)cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000076763529 936033660 /nfs/dbraw/zinc/03/36/60/936033660.db2.gz GPADDISELPNSFN-LLVKDONJSA-N -1 0 351.225 3.713 20 30 FHEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(Cl)c1Cl ZINC000078234758 936066825 /nfs/dbraw/zinc/06/68/25/936066825.db2.gz XCIVNUWWGKFNGN-UHFFFAOYSA-N -1 0 357.218 3.674 20 30 FHEDRM CN1C(=O)CCc2cc(C(=O)/C=C\c3cccc(C(=O)[O-])c3Cl)ccc21 ZINC000588559357 936310961 /nfs/dbraw/zinc/31/09/61/936310961.db2.gz ICEBZWQNBURPHJ-TWGQIWQCSA-N -1 0 369.804 3.843 20 30 FHEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3cccc(C#N)c3)n2)c1 ZINC000583785341 938410578 /nfs/dbraw/zinc/41/05/78/938410578.db2.gz YEUXJVLVSJEEPE-UHFFFAOYSA-N -1 0 360.417 3.503 20 30 FHEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cncc(F)c3)n2)cc1 ZINC000151846815 938705321 /nfs/dbraw/zinc/70/53/21/938705321.db2.gz HZGSMQHAVSAAPO-HNNXBMFYSA-N -1 0 353.378 3.843 20 30 FHEDRM C[C@H](Oc1cccc(/C=C2/CCc3ccc([N+](=O)[O-])cc3C2=O)c1)C(=O)[O-] ZINC000588598421 938831266 /nfs/dbraw/zinc/83/12/66/938831266.db2.gz BQFSYYFHGQFHMA-ZENNRRHLSA-N -1 0 367.357 3.659 20 30 FHEDRM O=C(/C=C\c1cc(Cl)cs1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000588601270 938849315 /nfs/dbraw/zinc/84/93/15/938849315.db2.gz GWOMOENZEVVMAO-RQOWECAXSA-N -1 0 363.866 3.835 20 30 FHEDRM O=C1[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCN1c1ccccc1 ZINC000255627967 939014203 /nfs/dbraw/zinc/01/42/03/939014203.db2.gz WWFSYZSKEIUVGN-UWOKGBPVSA-N -1 0 373.796 3.568 20 30 FHEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cn1 ZINC000190913469 939019413 /nfs/dbraw/zinc/01/94/13/939019413.db2.gz GILGBVOELQFFJC-MRXNPFEDSA-N -1 0 359.433 3.751 20 30 FHEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000065763349 939045335 /nfs/dbraw/zinc/04/53/35/939045335.db2.gz MDAXHSBFADWVHC-UHFFFAOYSA-N -1 0 353.465 3.951 20 30 FHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cc(F)ccc2F)c(C)c1 ZINC000065763959 939045993 /nfs/dbraw/zinc/04/59/93/939045993.db2.gz MJNBPIUCORNMII-UHFFFAOYSA-N -1 0 353.390 3.860 20 30 FHEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000391599915 939059623 /nfs/dbraw/zinc/05/96/23/939059623.db2.gz CCUIXRRITVLTLA-UHFFFAOYSA-N -1 0 356.325 3.566 20 30 FHEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CCN(C)c2ccccc21 ZINC000892425681 939062739 /nfs/dbraw/zinc/06/27/39/939062739.db2.gz ZNQAYWVLRSBIBX-WMZOPIPTSA-N -1 0 371.440 3.992 20 30 FHEDRM N#Cc1ccc(CCNc2cc3c(CC(=O)[O-])c[nH]c3cc2Cl)cc1 ZINC001167682835 939069949 /nfs/dbraw/zinc/06/99/49/939069949.db2.gz VCMQFQAESBJZSG-UHFFFAOYSA-N -1 0 353.809 3.975 20 30 FHEDRM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccn1 ZINC000647380224 939085882 /nfs/dbraw/zinc/08/58/82/939085882.db2.gz VLTICCSSMXALIT-CYBMUJFWSA-N -1 0 354.435 3.500 20 30 FHEDRM 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370.449 3.568 20 30 FHEDRM N#Cc1cccc([C@H](Nc2ccc(NC(=O)c3ccco3)cc2)C(=O)[O-])c1 ZINC000833074538 601299534 /nfs/dbraw/zinc/29/95/34/601299534.db2.gz ADKRNBUQNKAIEC-SFHVURJKSA-N -1 0 361.357 3.641 20 30 FHEDRM N#Cc1cccc([C@H](Nc2cccc(NC(=O)c3ccoc3)c2)C(=O)[O-])c1 ZINC000833076332 601303693 /nfs/dbraw/zinc/30/36/93/601303693.db2.gz UHDBMKVEMSFCKW-SFHVURJKSA-N -1 0 361.357 3.641 20 30 FHEDRM COc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832407349 601305317 /nfs/dbraw/zinc/30/53/17/601305317.db2.gz FRMLJVMUJTZVRA-HNNXBMFYSA-N -1 0 361.195 3.567 20 30 FHEDRM N#Cc1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000833073796 601309164 /nfs/dbraw/zinc/30/91/64/601309164.db2.gz ZINANSRZTXPWIT-HNNXBMFYSA-N -1 0 361.760 3.688 20 30 FHEDRM C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C(=O)[O-])[nH]3)c12 ZINC000825710894 601330437 /nfs/dbraw/zinc/33/04/37/601330437.db2.gz GETJEAZORNFBLR-PKNBQFBNSA-N -1 0 374.400 3.706 20 30 FHEDRM COc1cc2ccccc2cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832111784 601344920 /nfs/dbraw/zinc/34/49/20/601344920.db2.gz JGUOAMHVCAVRTN-IBGZPJMESA-N -1 0 361.353 3.703 20 30 FHEDRM Cc1nc2cc(F)ccc2cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833004003 601347947 /nfs/dbraw/zinc/34/79/47/601347947.db2.gz FSLZJXJJXUGDJZ-SFHVURJKSA-N -1 0 364.332 3.537 20 30 FHEDRM Cc1ccc(-c2nc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cs2)o1 ZINC000832906986 601348520 /nfs/dbraw/zinc/34/85/20/601348520.db2.gz BZRTVRLZHMQIET-HNNXBMFYSA-N -1 0 368.370 3.566 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)c2cc3ccccc3c(Cl)n2)C(=O)[O-])c1 ZINC000833075451 601348635 /nfs/dbraw/zinc/34/86/35/601348635.db2.gz BHPCPTCIMZHJEE-INIZCTEOSA-N -1 0 366.760 3.743 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)c2ccc3nc(Cl)ccc3c2)C(=O)[O-])c1 ZINC000833075448 601349591 /nfs/dbraw/zinc/34/95/91/601349591.db2.gz BGKYDJPQHXZUAZ-KRWDZBQOSA-N -1 0 366.760 3.743 20 30 FHEDRM CC(C)c1ccc(OCCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827129827 601350992 /nfs/dbraw/zinc/35/09/92/601350992.db2.gz VLURMGQLTJFEPJ-HXUWFJFHSA-N -1 0 367.401 3.820 20 30 FHEDRM CC(C)(Oc1cccc(Cl)c1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826642077 601352512 /nfs/dbraw/zinc/35/25/12/601352512.db2.gz OQMKZSKWFUYUTO-MRXNPFEDSA-N -1 0 373.792 3.738 20 30 FHEDRM Cc1ccc2c(CCC(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c[nH]c2c1 ZINC000832960070 601354838 /nfs/dbraw/zinc/35/48/38/601354838.db2.gz LKTJKMYYGKZHDQ-FQEVSTJZSA-N -1 0 362.385 3.650 20 30 FHEDRM Cc1nc(-c2ccccc2)oc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832992264 601355786 /nfs/dbraw/zinc/35/57/86/601355786.db2.gz FTXDPDXCUKZHJD-KRWDZBQOSA-N -1 0 362.341 3.504 20 30 FHEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000832917670 601407025 /nfs/dbraw/zinc/40/70/25/601407025.db2.gz YFYXIBCRMWCIDA-HKUYNNGSSA-N -1 0 363.417 3.997 20 30 FHEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCOc1cccc(C(=O)[O-])c1 ZINC000833065056 601429943 /nfs/dbraw/zinc/42/99/43/601429943.db2.gz QVEDCFTZSVLAMU-VQTJNVASSA-N -1 0 350.418 3.535 20 30 FHEDRM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833061692 601453665 /nfs/dbraw/zinc/45/36/65/601453665.db2.gz FTSAQDYIXXMIBI-DOMZBBRYSA-N -1 0 370.430 3.692 20 30 FHEDRM N#Cc1csc(C(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)c1 ZINC000833078160 601535815 /nfs/dbraw/zinc/53/58/15/601535815.db2.gz DYJSVXXCGHLFMR-UHFFFAOYSA-N -1 0 369.427 3.623 20 30 FHEDRM N#Cc1cc(Cl)ccc1SCC(=O)Nc1ccsc1C(=O)[O-] ZINC000833068847 601547674 /nfs/dbraw/zinc/54/76/74/601547674.db2.gz NQLZTIDEBRGIGB-UHFFFAOYSA-N -1 0 352.824 3.702 20 30 FHEDRM CCCCC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(=O)[O-] ZINC000829333091 601640496 /nfs/dbraw/zinc/64/04/96/601640496.db2.gz HLRIUCCVIRRSMT-KRWDZBQOSA-N -1 0 367.405 3.509 20 30 FHEDRM N#Cc1cc(F)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c(F)c1 ZINC000833069225 601656153 /nfs/dbraw/zinc/65/61/53/601656153.db2.gz XXKXDNBKCUBSNS-UHFFFAOYSA-N -1 0 362.357 3.727 20 30 FHEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000818788328 601662974 /nfs/dbraw/zinc/66/29/74/601662974.db2.gz XCXAPORXKDOFTJ-UHFFFAOYSA-N -1 0 364.401 3.596 20 30 FHEDRM C#CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])C1CCCC1 ZINC000825614844 601664567 /nfs/dbraw/zinc/66/45/67/601664567.db2.gz ZGVBUMCAVWCHGY-UHFFFAOYSA-N -1 0 369.248 3.508 20 30 FHEDRM C[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H]1C(=O)[O-] ZINC000828402863 601705097 /nfs/dbraw/zinc/70/50/97/601705097.db2.gz RVTCSHYGNHOBLY-DYVFJYSZSA-N -1 0 366.442 3.502 20 30 FHEDRM C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H]1C(=O)[O-] ZINC000828401316 601708299 /nfs/dbraw/zinc/70/82/99/601708299.db2.gz FWSKKLZNXXXSPG-CJNGLKHVSA-N -1 0 366.442 3.502 20 30 FHEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828378225 601789738 /nfs/dbraw/zinc/78/97/38/601789738.db2.gz PJCQSLOMFRQBED-ACJLOTCBSA-N -1 0 365.389 3.535 20 30 FHEDRM C=CCn1c(=O)[nH]nc1SCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000825711276 601863833 /nfs/dbraw/zinc/86/38/33/601863833.db2.gz XBXWUJVLQRWGHT-UHFFFAOYSA-N -1 0 365.411 3.514 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)c2cncc(-c3ccccc3)c2)C(=O)[O-])cc1 ZINC000833071248 602015795 /nfs/dbraw/zinc/01/57/95/602015795.db2.gz DKZOFKONAGLSOS-IBGZPJMESA-N -1 0 358.353 3.603 20 30 FHEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000819873870 602040240 /nfs/dbraw/zinc/04/02/40/602040240.db2.gz DYJUPLTWQNEAFK-CYBMUJFWSA-N -1 0 369.446 3.958 20 30 FHEDRM C#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)nc1 ZINC000825636561 602062385 /nfs/dbraw/zinc/06/23/85/602062385.db2.gz NBMYEDKGQRLYLQ-UHFFFAOYSA-N -1 0 372.380 3.592 20 30 FHEDRM Cc1sc2ncnc(N=NCc3ccc(O[C@H](C)C(=O)[O-])cc3)c2c1C ZINC000794870835 602068163 /nfs/dbraw/zinc/06/81/63/602068163.db2.gz SIVYGILIXPOEJQ-LLVKDONJSA-N -1 0 370.434 3.606 20 30 FHEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000738485954 602073344 /nfs/dbraw/zinc/07/33/44/602073344.db2.gz XYHAFTLYDVMCCH-GJZGRUSLSA-N -1 0 361.442 3.542 20 30 FHEDRM COc1cc(C)cc2c1OC/C(=C/c1ccc(O[C@H](C)C(=O)[O-])cc1)C2=O ZINC000794698422 602109188 /nfs/dbraw/zinc/10/91/88/602109188.db2.gz JTJIHGXYHKXQEM-NWFCWYBLSA-N -1 0 368.385 3.514 20 30 FHEDRM COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)c2c1 ZINC000794701106 602110576 /nfs/dbraw/zinc/11/05/76/602110576.db2.gz KZVIPCYMFCHHEX-OMPYUXFZSA-N -1 0 365.385 3.925 20 30 FHEDRM C[C@@H](CC#N)N(C)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000827212119 602112060 /nfs/dbraw/zinc/11/20/60/602112060.db2.gz ARGMFFNFUHHRGI-AWEZNQCLSA-N -1 0 367.405 3.730 20 30 FHEDRM CCN(C)c1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000794698795 602112227 /nfs/dbraw/zinc/11/22/27/602112227.db2.gz CDXFYCBWVSVFEU-LULHVWEPSA-N -1 0 353.418 3.891 20 30 FHEDRM N#Cc1cc(CNc2ccc(OCC(=O)[O-])c3ccccc23)ccc1F ZINC000833068856 602114363 /nfs/dbraw/zinc/11/43/63/602114363.db2.gz OCHCZNVFGUQHAF-UHFFFAOYSA-N -1 0 350.349 3.926 20 30 FHEDRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000739298542 602124503 /nfs/dbraw/zinc/12/45/03/602124503.db2.gz FFUQWTWHWXBLKQ-LJQANCHMSA-N -1 0 368.393 3.510 20 30 FHEDRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000739297447 602127496 /nfs/dbraw/zinc/12/74/96/602127496.db2.gz CVONPWNBAZPIPD-LJQANCHMSA-N -1 0 368.393 3.510 20 30 FHEDRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000827310138 602144717 /nfs/dbraw/zinc/14/47/17/602144717.db2.gz GLVPRNBBSJANIZ-LBPRGKRZSA-N -1 0 372.808 3.840 20 30 FHEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(F)cc2N(C)C)cc1)C(=O)[O-] ZINC000794704178 602149222 /nfs/dbraw/zinc/14/92/22/602149222.db2.gz ZDZLZXYACQRVDR-GXJZLWQJSA-N -1 0 357.381 3.640 20 30 FHEDRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 ZINC000739323417 602252495 /nfs/dbraw/zinc/25/24/95/602252495.db2.gz VDSYIDAIRQBRPY-GOSISDBHSA-N -1 0 367.405 3.512 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)c2cc(C(F)(F)F)ccc2F)C(=O)[O-])c1 ZINC000833077672 602263221 /nfs/dbraw/zinc/26/32/21/602263221.db2.gz YTMPIISJAUJLBE-AWEZNQCLSA-N -1 0 367.254 3.699 20 30 FHEDRM N#Cc1cccc(SCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)c1 ZINC000833075830 602290468 /nfs/dbraw/zinc/29/04/68/602290468.db2.gz WXPGZRUXHGJNIB-UHFFFAOYSA-N -1 0 358.444 3.537 20 30 FHEDRM O=C([O-])NC1CCC(=NNC(=S)Nc2ccccc2C(F)(F)F)CC1 ZINC000740551852 602456591 /nfs/dbraw/zinc/45/65/91/602456591.db2.gz XTMWECSTICGFDF-UHFFFAOYSA-N -1 0 374.388 3.558 20 30 FHEDRM O=C([O-])NC1CCC(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000740551103 602456706 /nfs/dbraw/zinc/45/67/06/602456706.db2.gz KFCGKBKOVVJAEF-UHFFFAOYSA-N -1 0 360.292 3.592 20 30 FHEDRM C=CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000738505648 602507465 /nfs/dbraw/zinc/50/74/65/602507465.db2.gz OTQPJEXKMQJSQC-UHFFFAOYSA-N -1 0 352.390 3.934 20 30 FHEDRM C=CCOc1cccc(NC(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1 ZINC000738505400 602591437 /nfs/dbraw/zinc/59/14/37/602591437.db2.gz LRVQRXLIOPHRCL-MAUKXSAKSA-N -1 0 373.453 3.638 20 30 FHEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738726490 602623826 /nfs/dbraw/zinc/62/38/26/602623826.db2.gz NQABHFAKBBHWMJ-MRXNPFEDSA-N -1 0 368.437 3.842 20 30 FHEDRM Cc1sc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c(C#N)c1C ZINC000740281474 602642788 /nfs/dbraw/zinc/64/27/88/602642788.db2.gz QGUOSYZPDAEZIM-HNNXBMFYSA-N -1 0 357.435 3.964 20 30 FHEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000736373369 602687364 /nfs/dbraw/zinc/68/73/64/602687364.db2.gz BHLXTLCTXMWDNR-KRWDZBQOSA-N -1 0 353.378 3.581 20 30 FHEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000830342078 602761235 /nfs/dbraw/zinc/76/12/35/602761235.db2.gz VWGSRMLGYBSNJW-LPHOPBHVSA-N -1 0 365.433 3.887 20 30 FHEDRM Cc1nc(SCC(=O)Oc2ccc(NC(=O)[O-])cc2)c(C#N)c(C)c1C ZINC000738362455 602962084 /nfs/dbraw/zinc/96/20/84/602962084.db2.gz SBHGSWPWKVQIAZ-UHFFFAOYSA-N -1 0 371.418 3.666 20 30 FHEDRM N#C[C@H](C(=O)c1cccc(NC(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000739074928 603169590 /nfs/dbraw/zinc/16/95/90/603169590.db2.gz NMXHTPIJXVUXNF-CQSZACIVSA-N -1 0 364.386 3.785 20 30 FHEDRM Cc1cc(C)c2ncc(C#N)c(N3CCC([C@H](C)NC(=O)[O-])CC3)c2c1 ZINC000829997521 603187730 /nfs/dbraw/zinc/18/77/30/603187730.db2.gz OJIYKQYMQSOKKX-AWEZNQCLSA-N -1 0 352.438 3.596 20 30 FHEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738896435 603199912 /nfs/dbraw/zinc/19/99/12/603199912.db2.gz ZTVONALKVDMGFA-RDBSUJKOSA-N -1 0 361.467 3.846 20 30 FHEDRM COc1ccccc1[C@H](CNc1cc(C#N)c2ccccc2n1)NC(=O)[O-] ZINC000739966100 603243967 /nfs/dbraw/zinc/24/39/67/603243967.db2.gz ZLTMNTACMIZHRZ-KRWDZBQOSA-N -1 0 362.389 3.536 20 30 FHEDRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)Nc2cccc(OCC#N)c2)cc1 ZINC000825442915 603279314 /nfs/dbraw/zinc/27/93/14/603279314.db2.gz SSXSYNDKKLIPRH-GFCCVEGCSA-N -1 0 354.366 3.562 20 30 FHEDRM O=C([O-])NC[C@@H]1CCCC1N=Nc1ncc(C(F)(F)F)cc1Cl ZINC000740620998 603318669 /nfs/dbraw/zinc/31/86/69/603318669.db2.gz UWMZHYSKXQVDLW-ZETCQYMHSA-N -1 0 350.728 3.589 20 30 FHEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(NC(=O)[O-])ccc1F ZINC000823463892 603327480 /nfs/dbraw/zinc/32/74/80/603327480.db2.gz XVEMVGSRNKLZSE-UHFFFAOYSA-N -1 0 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ZINC000833312854 601332288 /nfs/dbraw/zinc/33/22/88/601332288.db2.gz YGEPRPQAEGAGGM-VMPITWQZSA-N -1 0 364.220 3.847 20 30 FHEDRM O=C([O-])c1ccc(/C=C2\CCOc3ccc(Br)cc3C2=O)[nH]1 ZINC000833312852 601332327 /nfs/dbraw/zinc/33/23/27/601332327.db2.gz YFBFTOQBVARKMD-VQHVLOKHSA-N -1 0 362.179 3.524 20 30 FHEDRM Cc1ccc(C(C)C)cc1OCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832922162 601344318 /nfs/dbraw/zinc/34/43/18/601344318.db2.gz VKSJFRLGWXBTSS-FQEVSTJZSA-N -1 0 367.401 3.738 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)c2[nH]c3ccc(F)cc3c2Cl)C(=O)[O-])c1 ZINC000833075401 601349657 /nfs/dbraw/zinc/34/96/57/601349657.db2.gz AYCRLRBXEGFECU-INIZCTEOSA-N -1 0 372.739 3.815 20 30 FHEDRM C/C(=C\C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1Cl ZINC000825723921 601351438 /nfs/dbraw/zinc/35/14/38/601351438.db2.gz DTHNLUYSWQNTHI-ZPHJMFTNSA-N -1 0 355.777 3.984 20 30 FHEDRM COc1ccccc1C[C@@H](C)CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832609022 601352806 /nfs/dbraw/zinc/35/28/06/601352806.db2.gz ZYVXFPOVBFJOGR-VLIAUNLRSA-N -1 0 367.401 3.505 20 30 FHEDRM C/C(=C/C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000825723841 601355425 /nfs/dbraw/zinc/35/54/25/601355425.db2.gz BXISWBSXSACJSQ-QCSXQHJISA-N -1 0 355.777 3.984 20 30 FHEDRM CC(C)[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000826710188 601437831 /nfs/dbraw/zinc/43/78/31/601437831.db2.gz ASFOWLHDVNTKTM-KRWDZBQOSA-N -1 0 354.431 3.548 20 30 FHEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000833064513 601477388 /nfs/dbraw/zinc/47/73/88/601477388.db2.gz KHCRZPGGKQXMFO-GOSISDBHSA-N -1 0 363.417 3.861 20 30 FHEDRM Cc1cc(OCC(=O)[O-])ccc1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000832902105 601579261 /nfs/dbraw/zinc/57/92/61/601579261.db2.gz FLOXYMHGCSGYQI-UHFFFAOYSA-N -1 0 363.335 3.941 20 30 FHEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000830059977 601621192 /nfs/dbraw/zinc/62/11/92/601621192.db2.gz VIYLRRQOHWKUNB-ACJLOTCBSA-N -1 0 367.405 3.540 20 30 FHEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CCCC(=O)[O-])cc1 ZINC000832858868 601664873 /nfs/dbraw/zinc/66/48/73/601664873.db2.gz JORXIBOHUJVGAV-UHFFFAOYSA-N -1 0 352.390 3.596 20 30 FHEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1 ZINC000832858310 601673615 /nfs/dbraw/zinc/67/36/15/601673615.db2.gz BNRQAJJDPAASML-OAQYLSRUSA-N -1 0 364.401 3.642 20 30 FHEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000832859503 601679719 /nfs/dbraw/zinc/67/97/19/601679719.db2.gz RQXCOXXIVIEQBD-UHFFFAOYSA-N -1 0 364.401 3.786 20 30 FHEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@@H]1C(=O)[O-] ZINC000828377712 601792339 /nfs/dbraw/zinc/79/23/39/601792339.db2.gz LGVLYDCKJPNENK-ACJLOTCBSA-N -1 0 365.389 3.535 20 30 FHEDRM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1C(=O)[O-] ZINC000828378033 601792355 /nfs/dbraw/zinc/79/23/55/601792355.db2.gz OAXLTWHLKVJCMS-SCLBCKFNSA-N -1 0 365.389 3.535 20 30 FHEDRM O=C([O-])c1cc(/C=C2/CCOc3ccc(Br)cc3C2=O)c[nH]1 ZINC000833297857 601792447 /nfs/dbraw/zinc/79/24/47/601792447.db2.gz KPBMHNOIILXFBK-YHYXMXQVSA-N -1 0 362.179 3.524 20 30 FHEDRM Cc1ccc2c(c1)OCC/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000832960640 601952200 /nfs/dbraw/zinc/95/22/00/601952200.db2.gz QXQFLCIPAWLDGE-QXPQOBGOSA-N -1 0 352.386 3.896 20 30 FHEDRM Cc1ccc(-c2cncc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2)cc1 ZINC000832907176 602015407 /nfs/dbraw/zinc/01/54/07/602015407.db2.gz OFKMTQFPVBSMRL-HXUWFJFHSA-N -1 0 372.380 3.911 20 30 FHEDRM N#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000833071900 602089481 /nfs/dbraw/zinc/08/94/81/602089481.db2.gz MRWYMXXRMOGPBL-LBPRGKRZSA-N -1 0 356.186 3.909 20 30 FHEDRM COc1cc(C)c(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000794707913 602110640 /nfs/dbraw/zinc/11/06/40/602110640.db2.gz OSSZQHCVGILGRE-YHAOYDPOSA-N -1 0 370.401 3.760 20 30 FHEDRM C[C@H](CC(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000827310128 602144484 /nfs/dbraw/zinc/14/44/84/602144484.db2.gz GLVPRNBBSJANIZ-GFCCVEGCSA-N -1 0 372.808 3.840 20 30 FHEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(F)cc2N(C)C)cc1)C(=O)[O-] ZINC000794704180 602149279 /nfs/dbraw/zinc/14/92/79/602149279.db2.gz ZDZLZXYACQRVDR-TUOYRWMMSA-N -1 0 357.381 3.640 20 30 FHEDRM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)CC(=O)[O-] ZINC000832888617 602158061 /nfs/dbraw/zinc/15/80/61/602158061.db2.gz ALISKHPLFPVHAC-AWEZNQCLSA-N -1 0 354.381 3.650 20 30 FHEDRM C=CCOc1ccc(/C=C/C(=O)Nc2cc(C(=O)[O-])cs2)cc1OC ZINC000762144943 602183008 /nfs/dbraw/zinc/18/30/08/602183008.db2.gz RCLMXLIEUNJQJK-FNORWQNLSA-N -1 0 359.403 3.672 20 30 FHEDRM C=CCn1c(SCc2ccc(C(=O)[O-])s2)nnc1-c1ccccn1 ZINC000825711342 602242642 /nfs/dbraw/zinc/24/26/42/602242642.db2.gz ZSUKBULOIYZEBT-UHFFFAOYSA-N -1 0 358.448 3.578 20 30 FHEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)Nc2ccc(F)cc2OCC#N)cc1 ZINC000826122678 602281834 /nfs/dbraw/zinc/28/18/34/602281834.db2.gz JLKXOYGHUDJMOK-UHFFFAOYSA-N -1 0 371.368 3.734 20 30 FHEDRM CC(C)c1ccc([C@@H](CNC(=O)c2cccc(CC#N)c2)NC(=O)[O-])cc1 ZINC000738882599 602360336 /nfs/dbraw/zinc/36/03/36/602360336.db2.gz MGPTVBPCTOYQQB-LJQANCHMSA-N -1 0 365.433 3.615 20 30 FHEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000825681833 602389388 /nfs/dbraw/zinc/38/93/88/602389388.db2.gz HJIAVQDETSMRAG-UHFFFAOYSA-N -1 0 373.340 3.652 20 30 FHEDRM CCOc1ccc(C#N)cc1NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1 ZINC000739495508 602464189 /nfs/dbraw/zinc/46/41/89/602464189.db2.gz YYMVIHZWIYYIDF-INIZCTEOSA-N -1 0 367.405 3.685 20 30 FHEDRM CN(CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)[O-] ZINC000739627203 602569100 /nfs/dbraw/zinc/56/91/00/602569100.db2.gz LNWRDNYBEMQYMQ-OAHLLOKOSA-N -1 0 357.797 3.544 20 30 FHEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738492442 602599746 /nfs/dbraw/zinc/59/97/46/602599746.db2.gz RMSLIDGINDQGCC-UHFFFAOYSA-N -1 0 370.365 3.905 20 30 FHEDRM C[C@H](C#N)CSc1ccccc1NC(=O)C1(NC(=O)[O-])CCCCC1 ZINC000738604353 602637322 /nfs/dbraw/zinc/63/73/22/602637322.db2.gz RBFMHPPAPILUCF-CYBMUJFWSA-N -1 0 361.467 3.847 20 30 FHEDRM N#Cc1cc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)ccc1Cl ZINC000740310528 602642840 /nfs/dbraw/zinc/64/28/40/602642840.db2.gz IETYUQPWDAKOTH-INIZCTEOSA-N -1 0 357.797 3.939 20 30 FHEDRM N#Cc1ccc(CC(=O)Nc2ccc(NC(=O)[O-])cc2C(F)(F)F)cc1 ZINC000740313534 602643720 /nfs/dbraw/zinc/64/37/20/602643720.db2.gz UJGVLPFDXXULIJ-UHFFFAOYSA-N -1 0 363.295 3.848 20 30 FHEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738599765 602647046 /nfs/dbraw/zinc/64/70/46/602647046.db2.gz FWPNKXAQDCRWNL-ZDUSSCGKSA-N -1 0 361.467 3.657 20 30 FHEDRM C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823676541 602873301 /nfs/dbraw/zinc/87/33/01/602873301.db2.gz CZLJSXAZKMQFJF-VUCTXSBTSA-N -1 0 371.824 3.666 20 30 FHEDRM Cc1ccc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc1NC(=O)[O-] ZINC000830203835 602899188 /nfs/dbraw/zinc/89/91/88/602899188.db2.gz AERVUCKCODNRLF-HXUWFJFHSA-N -1 0 351.406 3.730 20 30 FHEDRM C=C(C)COc1cccc(NC(=O)[C@H](NC(=O)[O-])c2ccccc2OC)c1 ZINC000738485720 602902882 /nfs/dbraw/zinc/90/28/82/602902882.db2.gz PPTDJPBPMDUJMV-GOSISDBHSA-N -1 0 370.405 3.598 20 30 FHEDRM N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(NC(=O)[O-])cc1 ZINC000738426113 602997467 /nfs/dbraw/zinc/99/74/67/602997467.db2.gz MNYVPXFHSFFVGJ-UHFFFAOYSA-N -1 0 360.753 3.689 20 30 FHEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738490384 603156070 /nfs/dbraw/zinc/15/60/70/603156070.db2.gz SPBCXLZUEJQFNA-RYUDHWBXSA-N -1 0 356.875 3.743 20 30 FHEDRM CC(C)(CC(=O)[C@H](C#N)c1nc2cc(Cl)ccc2s1)NC(=O)[O-] ZINC000738729539 603160066 /nfs/dbraw/zinc/16/00/66/603160066.db2.gz JOOVFFJTDFYJIJ-VIFPVBQESA-N -1 0 351.815 3.562 20 30 FHEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c1 ZINC000738467967 603194197 /nfs/dbraw/zinc/19/41/97/603194197.db2.gz QFTCBEHJEQPROV-SJORKVTESA-N -1 0 366.417 3.621 20 30 FHEDRM C#CCOc1ccc(F)cc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000738466660 603227921 /nfs/dbraw/zinc/22/79/21/603227921.db2.gz CWMILBDOUSZROV-UHFFFAOYSA-N -1 0 362.744 3.833 20 30 FHEDRM C[C@@H]1CN(C(=O)[O-])c2ccccc2N1C(=S)Nc1ccccc1C#N ZINC000826027980 603247148 /nfs/dbraw/zinc/24/71/48/603247148.db2.gz YSQONFHIRLNXPC-GFCCVEGCSA-N -1 0 352.419 3.648 20 30 FHEDRM C#CCOc1cccc(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c1 ZINC000823467395 603314336 /nfs/dbraw/zinc/31/43/36/603314336.db2.gz VIFQYVPQFRQSLD-CYBMUJFWSA-N -1 0 353.378 3.671 20 30 FHEDRM CCN(Cc1ccccc1NC(=O)N(C)Cc1cccc(C#N)c1)C(=O)[O-] ZINC000739446016 603355034 /nfs/dbraw/zinc/35/50/34/603355034.db2.gz HNHAKKNPYKGYFI-UHFFFAOYSA-N -1 0 366.421 3.722 20 30 FHEDRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000825427630 603385787 /nfs/dbraw/zinc/38/57/87/603385787.db2.gz XRKUWNJRWJDRTK-CHWSQXEVSA-N -1 0 352.394 3.770 20 30 FHEDRM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)OCc1cccc(C#N)c1 ZINC000829191338 603439063 /nfs/dbraw/zinc/43/90/63/603439063.db2.gz FLKHHBAKWGNKNX-UHFFFAOYSA-N -1 0 360.753 3.667 20 30 FHEDRM N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)cc2)c1 ZINC000831152959 603587221 /nfs/dbraw/zinc/58/72/21/603587221.db2.gz SXRZEZSUQRZEQE-ZBFHGGJFSA-N -1 0 365.389 3.725 20 30 FHEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000831070093 603708309 /nfs/dbraw/zinc/70/83/09/603708309.db2.gz DHJQLLIIUQXRRS-OALUTQOASA-N -1 0 363.417 3.617 20 30 FHEDRM N#Cc1ccc(-c2ccc(OC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)cc2)cc1 ZINC000831118196 603940792 /nfs/dbraw/zinc/94/07/92/603940792.db2.gz PNTAJOMPNGXESC-SJORKVTESA-N -1 0 350.374 3.567 20 30 FHEDRM N#CCSc1ccccc1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000831109726 603946435 /nfs/dbraw/zinc/94/64/35/603946435.db2.gz RPZRPMILDYXCOU-UHFFFAOYSA-N -1 0 353.403 3.595 20 30 FHEDRM C=CCOc1ccccc1CNC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000823516310 603988743 /nfs/dbraw/zinc/98/87/43/603988743.db2.gz GBPIMZUBOISKBT-UHFFFAOYSA-N -1 0 367.405 3.614 20 30 FHEDRM C[C@@H](CC(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824704254 604312595 /nfs/dbraw/zinc/31/25/95/604312595.db2.gz ZEIRRTQUWMFITO-JKSUJKDBSA-N -1 0 373.453 3.724 20 30 FHEDRM C#CCOc1ccc(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000825631995 604337095 /nfs/dbraw/zinc/33/70/95/604337095.db2.gz QCOCQMNUKPWRNC-GOSISDBHSA-N -1 0 366.417 3.672 20 30 FHEDRM C[C@@H](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C1CCN(C(=O)[O-])CC1 ZINC000824552163 604384396 /nfs/dbraw/zinc/38/43/96/604384396.db2.gz OXTYAWGWWPPMAN-JSGCOSHPSA-N -1 0 371.462 3.889 20 30 FHEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1ccc(C#N)cc1 ZINC000829026978 604429208 /nfs/dbraw/zinc/42/92/08/604429208.db2.gz LPPKMYBRRXZWSM-IBGZPJMESA-N -1 0 350.418 3.555 20 30 FHEDRM CC(C)(C)O[C@H](C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000833445659 604471027 /nfs/dbraw/zinc/47/10/27/604471027.db2.gz FSQFCRQDDJXVOR-MSOLQXFVSA-N -1 0 367.401 3.784 20 30 FHEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000825664480 604509558 /nfs/dbraw/zinc/50/95/58/604509558.db2.gz AVEYQLGKNMMFMI-QGZVFWFLSA-N -1 0 363.410 3.510 20 30 FHEDRM Cc1cc([C@@H](C)OC(=O)CSCc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC000832873141 604566484 /nfs/dbraw/zinc/56/64/84/604566484.db2.gz ZXYZGCCWWFQZCG-GFCCVEGCSA-N -1 0 359.403 3.696 20 30 FHEDRM C[C@@H](SCc1ccccc1)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC000833545524 604583127 /nfs/dbraw/zinc/58/31/27/604583127.db2.gz JGDRMXAADWNCLA-CYBMUJFWSA-N -1 0 355.415 3.622 20 30 FHEDRM C=C(C)[C@H](CC(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)OCC ZINC000833367098 604618890 /nfs/dbraw/zinc/61/88/90/604618890.db2.gz IMECAQIVKJOSOA-ZDUSSCGKSA-N -1 0 374.206 3.596 20 30 FHEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000833065304 604619426 /nfs/dbraw/zinc/61/94/26/604619426.db2.gz XTUSUBXWJLMSIC-MOPGFXCFSA-N -1 0 363.417 3.813 20 30 FHEDRM C=C(C)[C@H](CC(=O)Nc1c(C)c(Br)ccc1C(=O)[O-])OCC ZINC000833367666 604620120 /nfs/dbraw/zinc/62/01/20/604620120.db2.gz QJYCCVZIHDIWDA-ZDUSSCGKSA-N -1 0 370.243 3.766 20 30 FHEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cc3c(cc2OC(F)F)OCO3)cc1 ZINC000833310348 604630848 /nfs/dbraw/zinc/63/08/48/604630848.db2.gz OAUWOUMZLJTVBK-AATRIKPKSA-N -1 0 362.284 3.611 20 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360.369 3.642 20 30 FHEDRM N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833075626 601149686 /nfs/dbraw/zinc/14/96/86/601149686.db2.gz UVTVHDLQTAAPTK-ROUUACIJSA-N -1 0 362.429 3.982 20 30 FHEDRM CCC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)s2)NC(=O)N1Cc1ccccc1 ZINC000829069816 601201716 /nfs/dbraw/zinc/20/17/16/601201716.db2.gz RXWVULKYVNFYIR-QGZVFWFLSA-N -1 0 367.430 3.635 20 30 FHEDRM CC(C)CC(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826754532 601299071 /nfs/dbraw/zinc/29/90/71/601299071.db2.gz OUKFWCLJADKTKH-LJQANCHMSA-N -1 0 351.406 3.781 20 30 FHEDRM Cc1ccc(Oc2ccc(N[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)nn1 ZINC000832953395 601305971 /nfs/dbraw/zinc/30/59/71/601305971.db2.gz KQUQAUBGWGJULO-IBGZPJMESA-N -1 0 360.373 3.687 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3cc(F)ccc3s2)C(=O)[O-])c1 ZINC000833075814 601345323 /nfs/dbraw/zinc/34/53/23/601345323.db2.gz FILVUDMSAZKKCQ-MRXNPFEDSA-N -1 0 355.346 3.895 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(SC(F)F)cc2)C(=O)[O-])c1 ZINC000833077172 601346455 /nfs/dbraw/zinc/34/64/55/601346455.db2.gz MCKVCSBPWVXQAU-AWEZNQCLSA-N -1 0 363.341 3.856 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(-c3ccccc3F)o2)C(=O)[O-])c1 ZINC000833077146 601347854 /nfs/dbraw/zinc/34/78/54/601347854.db2.gz LNWFVQSKNYZVDZ-GOSISDBHSA-N -1 0 365.316 3.940 20 30 FHEDRM C[C@H](SCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827908569 601349133 /nfs/dbraw/zinc/34/91/33/601349133.db2.gz LAEJULKJFUJVQE-GUYCJALGSA-N -1 0 355.415 3.549 20 30 FHEDRM Cc1nc(CC(C)C)sc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832999153 601352099 /nfs/dbraw/zinc/35/20/99/601352099.db2.gz ORWMKOWABYXTCI-OAHLLOKOSA-N -1 0 358.419 3.504 20 30 FHEDRM Cc1cc(OC(F)F)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000832898779 601353783 /nfs/dbraw/zinc/35/37/83/601353783.db2.gz BWURRNVGLJGQHH-LBPRGKRZSA-N -1 0 367.329 3.512 20 30 FHEDRM Cc1ccc(OCCCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC000832951998 601355751 /nfs/dbraw/zinc/35/57/51/601355751.db2.gz AIMPYTJDAUXXFO-HXUWFJFHSA-N -1 0 367.401 3.703 20 30 FHEDRM C[C@@H](NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000827665739 601419131 /nfs/dbraw/zinc/41/91/31/601419131.db2.gz VLAHGZMSJBBPJD-PXAZEXFGSA-N -1 0 371.824 3.788 20 30 FHEDRM C[C@@H](CN(C)C(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000827442806 601435862 /nfs/dbraw/zinc/43/58/62/601435862.db2.gz VACTVWYYWODXME-ZDUSSCGKSA-N -1 0 354.431 3.502 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3cccc(Cl)c3o2)C(=O)[O-])c1 ZINC000833076034 601484057 /nfs/dbraw/zinc/48/40/57/601484057.db2.gz GYFQYFBHJHBJPQ-MRXNPFEDSA-N -1 0 355.733 3.941 20 30 FHEDRM N#Cc1ccccc1Sc1ccccc1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000833076402 601529506 /nfs/dbraw/zinc/52/95/06/601529506.db2.gz DKGIUYQSTJGJKA-MRXNPFEDSA-N -1 0 366.442 3.693 20 30 FHEDRM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H]1C(=O)[O-] ZINC000828401315 601708339 /nfs/dbraw/zinc/70/83/39/601708339.db2.gz FWSKKLZNXXXSPG-BBRMVZONSA-N -1 0 366.442 3.502 20 30 FHEDRM CC(C)(CNC(=O)c1ccccc1SCc1ccc(C#N)cc1)C(=O)[O-] ZINC000826607339 601711495 /nfs/dbraw/zinc/71/14/95/601711495.db2.gz RFXIMFZSCFJCME-UHFFFAOYSA-N -1 0 368.458 3.691 20 30 FHEDRM C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000828371960 601776155 /nfs/dbraw/zinc/77/61/55/601776155.db2.gz ZLEXVRKHCYIWKK-NIKGAXFTSA-N -1 0 363.417 3.526 20 30 FHEDRM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1C(=O)[O-] ZINC000828378228 601789699 /nfs/dbraw/zinc/78/96/99/601789699.db2.gz PJCQSLOMFRQBED-UGSOOPFHSA-N -1 0 365.389 3.535 20 30 FHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(F)c(F)c1F ZINC000825702124 601800919 /nfs/dbraw/zinc/80/09/19/601800919.db2.gz FHSYJUDGQPPRSL-UHFFFAOYSA-N -1 0 366.291 3.758 20 30 FHEDRM C=CCn1c(SCc2ccsc2C(=O)[O-])nnc1-c1ccncc1 ZINC000825710870 601806697 /nfs/dbraw/zinc/80/66/97/601806697.db2.gz FLIBFGXWIDOUNF-UHFFFAOYSA-N -1 0 358.448 3.578 20 30 FHEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000827879398 601806844 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Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833012795 602111726 /nfs/dbraw/zinc/11/17/26/602111726.db2.gz GQNOIXCAZUEPQP-QIENPNARSA-N -1 0 356.422 3.829 20 30 FHEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1)CC2 ZINC000794703204 602112243 /nfs/dbraw/zinc/11/22/43/602112243.db2.gz TWQVYXNMWYIJGW-XDUBLRSXSA-N -1 0 352.386 3.760 20 30 FHEDRM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)CC(=O)[O-] ZINC000832888619 602158054 /nfs/dbraw/zinc/15/80/54/602158054.db2.gz ALISKHPLFPVHAC-CQSZACIVSA-N -1 0 354.381 3.650 20 30 FHEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000826636818 602182724 /nfs/dbraw/zinc/18/27/24/602182724.db2.gz NXPKEDIAZQHWBJ-UHFFFAOYSA-N -1 0 358.781 3.706 20 30 FHEDRM C[C@H](CC(=O)[O-])C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000827240767 602183277 /nfs/dbraw/zinc/18/32/77/602183277.db2.gz NQVCDQSRAMPZDE-AATPERLCSA-N -1 0 372.490 3.898 20 30 FHEDRM C[C@@H](Sc1ccccc1C(=O)Nc1ccc(F)cc1OCC#N)C(=O)[O-] ZINC000827915583 602198003 /nfs/dbraw/zinc/19/80/03/602198003.db2.gz PCLGPSMOFRFXQF-LLVKDONJSA-N -1 0 374.393 3.546 20 30 FHEDRM C=CCn1c(SCc2cc(C(=O)[O-])sc2C)nnc1-c1ccccn1 ZINC000825710919 602242675 /nfs/dbraw/zinc/24/26/75/602242675.db2.gz HHPVVWVQVVSNGI-UHFFFAOYSA-N -1 0 372.475 3.887 20 30 FHEDRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000739319425 602393612 /nfs/dbraw/zinc/39/36/12/602393612.db2.gz IQKFGTAWCMVSMC-QZTJIDSGSA-N -1 0 351.406 3.717 20 30 FHEDRM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1ccccc1-c1ccccc1C#N ZINC000738810994 602455380 /nfs/dbraw/zinc/45/53/80/602455380.db2.gz URYPNKLTWUAQJB-MRXNPFEDSA-N -1 0 365.433 3.637 20 30 FHEDRM C[C@@H](NC(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccc(C#N)cc1 ZINC000738958549 602457672 /nfs/dbraw/zinc/45/76/72/602457672.db2.gz CLMPBZLBBSJSDW-KDOFPFPSSA-N -1 0 351.406 3.525 20 30 FHEDRM C[C@H](NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)c1ccc(C#N)cc1 ZINC000738958548 602457733 /nfs/dbraw/zinc/45/77/33/602457733.db2.gz CLMPBZLBBSJSDW-KBXCAEBGSA-N -1 0 351.406 3.525 20 30 FHEDRM CCOc1ccc(C#N)cc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000739495511 602464182 /nfs/dbraw/zinc/46/41/82/602464182.db2.gz YYMVIHZWIYYIDF-MRXNPFEDSA-N -1 0 367.405 3.685 20 30 FHEDRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000739319876 602475436 /nfs/dbraw/zinc/47/54/36/602475436.db2.gz BWTCNUPGQLQYSL-QGZVFWFLSA-N -1 0 353.378 3.725 20 30 FHEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738505975 602603242 /nfs/dbraw/zinc/60/32/42/602603242.db2.gz UCPBUBYHYBKZPN-UHFFFAOYSA-N -1 0 367.405 3.614 20 30 FHEDRM N#CCCSc1ccccc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000740307971 602627587 /nfs/dbraw/zinc/62/75/87/602627587.db2.gz DRQFYIYUJNVTBL-UHFFFAOYSA-N -1 0 355.419 3.712 20 30 FHEDRM N#Cc1cc(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)ccc1Cl ZINC000740310529 602642796 /nfs/dbraw/zinc/64/27/96/602642796.db2.gz IETYUQPWDAKOTH-MRXNPFEDSA-N -1 0 357.797 3.939 20 30 FHEDRM N#Cc1ccsc1C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000740322179 602643977 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/nfs/dbraw/zinc/94/28/67/929942867.db2.gz QMJRJDQEZOBPOR-OAHLLOKOSA-N -1 0 373.865 3.503 20 30 FHEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC2CCCCC2)[nH]n1 ZINC000471496565 930012067 /nfs/dbraw/zinc/01/20/67/930012067.db2.gz QJQRBCNPLHBVSP-UHFFFAOYSA-N -1 0 358.467 3.513 20 30 FHEDRM CCCOc1ccc2c(c1)C(=O)/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)CO2 ZINC000748148732 930265451 /nfs/dbraw/zinc/26/54/51/930265451.db2.gz XAWLZLBCZWQICL-JYRVWZFOSA-N -1 0 355.346 3.748 20 30 FHEDRM CC(C)(C)c1[n-]n(Cc2ccc(-c3ccccn3)nc2)c(=O)c1CCC#N ZINC000581185541 931645449 /nfs/dbraw/zinc/64/54/49/931645449.db2.gz WNOWRUIEBKTBRU-UHFFFAOYSA-N -1 0 361.449 3.848 20 30 FHEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)cc1F ZINC000581223157 931704274 /nfs/dbraw/zinc/70/42/74/931704274.db2.gz JLGFULWNFGXUJE-UHFFFAOYSA-N -1 0 374.315 3.526 20 30 FHEDRM Cc1nn(C)cc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000073088883 932195439 /nfs/dbraw/zinc/19/54/39/932195439.db2.gz BECVTZKWXZYVQC-CYBMUJFWSA-N -1 0 356.838 3.996 20 30 FHEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc(OCC(F)F)c2)s1 ZINC000430617571 932323174 /nfs/dbraw/zinc/32/31/74/932323174.db2.gz NNSOHZGVZOULRW-LLVKDONJSA-N -1 0 365.405 3.970 20 30 FHEDRM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000430622077 932351384 /nfs/dbraw/zinc/35/13/84/932351384.db2.gz FIJFOKXJMCYASH-NSHDSACASA-N -1 0 359.407 3.847 20 30 FHEDRM O=C1[C@@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])CCCN1c1cccnc1 ZINC000588425119 932501227 /nfs/dbraw/zinc/50/12/27/932501227.db2.gz PNRLMNTXQFLNDJ-HBYKXQRASA-N -1 0 364.232 3.709 20 30 FHEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000127259579 932504734 /nfs/dbraw/zinc/50/47/34/932504734.db2.gz QPLZVPDNGRTABP-GOSISDBHSA-N -1 0 363.461 3.818 20 30 FHEDRM Cc1csc(C(C#N)=C([O-])c2c[nH]nc2-c2cccc(OC(F)F)c2)n1 ZINC000155669541 932600125 /nfs/dbraw/zinc/60/01/25/932600125.db2.gz UDFMDXAGTFOMMS-LBPRGKRZSA-N -1 0 374.372 3.933 20 30 FHEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000548280327 932802890 /nfs/dbraw/zinc/80/28/90/932802890.db2.gz PLTAEYCYXFILAZ-UHFFFAOYSA-N -1 0 357.822 3.869 20 30 FHEDRM Cn1cc(C#N)c(=NC(=O)N[C@@H](CCCc2ccccc2)c2ccccc2)[n-]1 ZINC000610561695 933029462 /nfs/dbraw/zinc/02/94/62/933029462.db2.gz BKKJUEOITUZPRZ-FQEVSTJZSA-N -1 0 373.460 3.599 20 30 FHEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000548359005 933085956 /nfs/dbraw/zinc/08/59/56/933085956.db2.gz PEELXOJTHWBUGU-UHFFFAOYSA-N -1 0 374.315 3.526 20 30 FHEDRM CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C#N)s1 ZINC000132544500 933731309 /nfs/dbraw/zinc/73/13/09/933731309.db2.gz WKDMVQFEBOPODW-UHFFFAOYSA-N -1 0 371.281 3.745 20 30 FHEDRM N#CC1(CS(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)CCCCC1 ZINC000548446812 933848848 /nfs/dbraw/zinc/84/88/48/933848848.db2.gz MCXXOWBYENCEBD-CQSZACIVSA-N -1 0 360.401 3.683 20 30 FHEDRM CCc1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2C#N)c1 ZINC000471936249 933932457 /nfs/dbraw/zinc/93/24/57/933932457.db2.gz XXDNFIFAJXLZEV-UHFFFAOYSA-N -1 0 365.252 3.684 20 30 FHEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)s1 ZINC000431146690 933935967 /nfs/dbraw/zinc/93/59/67/933935967.db2.gz RMTRBQNMYVVRBO-UHFFFAOYSA-N -1 0 358.391 3.639 20 30 FHEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)s1 ZINC000431174531 934006374 /nfs/dbraw/zinc/00/63/74/934006374.db2.gz DIKFNHROVMANBW-UHFFFAOYSA-N -1 0 350.465 3.825 20 30 FHEDRM COCC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843593206 934029594 /nfs/dbraw/zinc/02/95/94/934029594.db2.gz LNNYZHKJXGJOTP-ZDUSSCGKSA-N -1 0 351.180 3.520 20 30 FHEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1F ZINC000610871145 934549777 /nfs/dbraw/zinc/54/97/77/934549777.db2.gz JOLJSYOZTJCSSQ-GFCCVEGCSA-N -1 0 354.362 3.712 20 30 FHEDRM COC(=O)[C@H](C)Oc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000588480277 934640981 /nfs/dbraw/zinc/64/09/81/934640981.db2.gz NCNDZKAYLKZPOO-LRAPTIAOSA-N -1 0 360.793 3.882 20 30 FHEDRM C=CCc1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc(OC)c1OC ZINC000472015321 934828813 /nfs/dbraw/zinc/82/88/13/934828813.db2.gz BFQDXMWOXBYTFI-UHFFFAOYSA-N -1 0 369.417 4.000 20 30 FHEDRM Cn1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1C(F)(F)F ZINC000684674942 934899191 /nfs/dbraw/zinc/89/91/91/934899191.db2.gz HQPWOTSVVATWJK-QMMMGPOBSA-N -1 0 356.373 3.683 20 30 FHEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(COc2ccccc2)cc1 ZINC000119720633 935105885 /nfs/dbraw/zinc/10/58/85/935105885.db2.gz QITPMWBUNWMZQI-HXUWFJFHSA-N -1 0 362.429 3.647 20 30 FHEDRM Cc1c(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c2ccccc2n1C ZINC000551386446 935274270 /nfs/dbraw/zinc/27/42/70/935274270.db2.gz OJROOKHXDZLDQP-UHFFFAOYSA-N -1 0 359.838 3.813 20 30 FHEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506719452 945094823 /nfs/dbraw/zinc/09/48/23/945094823.db2.gz NTHIESJVIYGCIT-UHFFFAOYSA-N -1 0 364.854 3.595 20 30 FHEDRM C=CCN(C(=O)Nc1ccc2[nH]ccc2c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000582159744 935356765 /nfs/dbraw/zinc/35/67/65/935356765.db2.gz HFRYLRWIRKGGTK-IBGZPJMESA-N -1 0 363.417 3.884 20 30 FHEDRM Cc1nnnn1-c1cc(N=Cc2cc(Cl)cc(Cl)c2[O-])ccc1F ZINC000255495841 935372524 /nfs/dbraw/zinc/37/25/24/935372524.db2.gz QGJFZUZNAHSBSD-UHFFFAOYSA-N -1 0 366.183 3.873 20 30 FHEDRM COc1ccc(OC)c([C@H](O)C/N=C\c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000255496408 935385953 /nfs/dbraw/zinc/38/59/53/935385953.db2.gz LXZODRJNPKJVMQ-ADFHHPQOSA-N -1 0 370.232 3.869 20 30 FHEDRM CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1ccc([O-])c(F)c1 ZINC000588508660 935431705 /nfs/dbraw/zinc/43/17/05/935431705.db2.gz BUVASFIBKSQBNH-VURMDHGXSA-N -1 0 368.813 3.874 20 30 FHEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Cc2ccccc2F)c(F)c1 ZINC000075040347 935622560 /nfs/dbraw/zinc/62/25/60/935622560.db2.gz GBYBTCVURQTDCA-GFCCVEGCSA-N -1 0 353.390 3.797 20 30 FHEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C(F)(F)F)c1 ZINC000427130272 945120176 /nfs/dbraw/zinc/12/01/76/945120176.db2.gz GPFHZWKERBCXHS-UHFFFAOYSA-N -1 0 374.315 3.526 20 30 FHEDRM Cn1nc(Br)cc1/C=C\C(=O)c1ccc2ccccc2c1[O-] ZINC000782341404 935768575 /nfs/dbraw/zinc/76/85/75/935768575.db2.gz IZABRJPICYEAFX-CLFYSBASSA-N -1 0 357.207 3.938 20 30 FHEDRM COc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000255515377 935840213 /nfs/dbraw/zinc/84/02/13/935840213.db2.gz TUPSMJKNJLVINI-YVMONPNESA-N -1 0 365.345 3.595 20 30 FHEDRM Cn1ncc(Cl)c1/C=C\C(=O)c1cc(Br)cc(F)c1[O-] ZINC000588535167 935882221 /nfs/dbraw/zinc/88/22/21/935882221.db2.gz RMIXDPPOBOUGFM-IHWYPQMZSA-N -1 0 359.582 3.577 20 30 FHEDRM COc1ccccc1-c1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1 ZINC000255522446 935955521 /nfs/dbraw/zinc/95/55/21/935955521.db2.gz ARYGAPMIWAEJPJ-ZAGZISDZSA-N -1 0 362.381 3.590 20 30 FHEDRM CCCCn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000121893530 936052171 /nfs/dbraw/zinc/05/21/71/936052171.db2.gz DZHKCYLSKPZDKE-ZDUSSCGKSA-N -1 0 350.344 3.896 20 30 FHEDRM CCCCn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000121893669 936052303 /nfs/dbraw/zinc/05/23/03/936052303.db2.gz DZHKCYLSKPZDKE-CYBMUJFWSA-N -1 0 350.344 3.896 20 30 FHEDRM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1nc(-c2ccccc2)cs1 ZINC000124125190 945154621 /nfs/dbraw/zinc/15/46/21/945154621.db2.gz PPLPXWBNHZLNTA-INIZCTEOSA-N -1 0 371.425 3.881 20 30 FHEDRM Cc1c(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)cnn1C(C)(C)C ZINC000588559210 936310550 /nfs/dbraw/zinc/31/05/50/936310550.db2.gz LUSJZALLVJNCLV-CMUBDUJZSA-N -1 0 356.422 3.695 20 30 FHEDRM C=C(C)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC001211589585 938310274 /nfs/dbraw/zinc/31/02/74/938310274.db2.gz XTGTZJFVVDGEGS-UHFFFAOYSA-N -1 0 359.072 3.610 20 30 FHEDRM N#Cc1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1F ZINC000583700877 938365984 /nfs/dbraw/zinc/36/59/84/938365984.db2.gz QRQMWFYZIIWWMK-UHFFFAOYSA-N -1 0 359.407 3.622 20 30 FHEDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cn1 ZINC000157791220 938414378 /nfs/dbraw/zinc/41/43/78/938414378.db2.gz FTXNHOFVKZCZAX-ZDUSSCGKSA-N -1 0 364.496 3.659 20 30 FHEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000176816075 938672066 /nfs/dbraw/zinc/67/20/66/938672066.db2.gz FNVQQJPUCZZZQX-UHFFFAOYSA-N -1 0 369.380 3.967 20 30 FHEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000176816701 938673010 /nfs/dbraw/zinc/67/30/10/938673010.db2.gz QOZLHQWMHBHRGH-UHFFFAOYSA-N -1 0 352.781 3.664 20 30 FHEDRM Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1NC(=O)c1ccco1 ZINC000176826173 938706379 /nfs/dbraw/zinc/70/63/79/938706379.db2.gz AKIFEUNNDIWAGN-UHFFFAOYSA-N -1 0 361.357 3.670 20 30 FHEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2cc(Br)cs2)c1 ZINC000588601127 938848266 /nfs/dbraw/zinc/84/82/66/938848266.db2.gz IZGCTELGUCLMBE-PLNGDYQASA-N -1 0 367.220 3.870 20 30 FHEDRM O=C(/C=C\c1sccc1Cl)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000588601521 938850538 /nfs/dbraw/zinc/85/05/38/938850538.db2.gz SYFRAISISNITRL-ARJAWSKDSA-N -1 0 363.866 3.835 20 30 FHEDRM CCOC(=O)c1cnc(/C=C\c2ccc(F)c(C#N)c2Cl)c(C(=O)[O-])c1 ZINC000431562720 938970323 /nfs/dbraw/zinc/97/03/23/938970323.db2.gz DQVXBHYNFAWPSG-XQRVVYSFSA-N -1 0 374.755 3.791 20 30 FHEDRM 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20 30 FHEDRM C#Cc1cccc(NC(=S)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c1 ZINC000738471667 602459106 /nfs/dbraw/zinc/45/91/06/602459106.db2.gz WIQIILHEGPGBCO-UHFFFAOYSA-N -1 0 351.431 3.513 20 30 FHEDRM C=C(C)COc1cccc(NC(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000738485940 602469447 /nfs/dbraw/zinc/46/94/47/602469447.db2.gz XNYBDWAHJSGAFY-CQSZACIVSA-N -1 0 361.442 3.542 20 30 FHEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CCCCN2C(=O)[O-])cc1 ZINC000740310291 602499408 /nfs/dbraw/zinc/49/94/08/602499408.db2.gz RQOVLPOVLWZYPZ-OALUTQOASA-N -1 0 363.417 3.813 20 30 FHEDRM N#CCCN(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)c1ccc(F)cc1 ZINC000740307869 602502015 /nfs/dbraw/zinc/50/20/15/602502015.db2.gz CHQGVMNAHPSVLO-SFHVURJKSA-N -1 0 369.396 3.861 20 30 FHEDRM CC[C@H](NC(=O)[O-])C(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C ZINC000739520932 602511886 /nfs/dbraw/zinc/51/18/86/602511886.db2.gz IJRXRGXAYIFAFM-KRWDZBQOSA-N -1 0 369.396 3.585 20 30 FHEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000738603257 602636737 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3.828 20 30 FHEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000833064963 601702365 /nfs/dbraw/zinc/70/23/65/601702365.db2.gz PILRUPXXBQXPMA-MOPGFXCFSA-N -1 0 363.417 3.617 20 30 FHEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(C(=O)[O-])c(F)c1 ZINC000826721948 601724999 /nfs/dbraw/zinc/72/49/99/601724999.db2.gz CUNDDOAZSRRTFS-SFHVURJKSA-N -1 0 371.364 3.542 20 30 FHEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCCCCCC(=O)[O-] ZINC000833064711 601767201 /nfs/dbraw/zinc/76/72/01/601767201.db2.gz MWJRWDOVOUZDGG-MSOLQXFVSA-N -1 0 357.454 3.503 20 30 FHEDRM C[C@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C[C@H]1C(=O)[O-] ZINC000828377714 601792335 /nfs/dbraw/zinc/79/23/35/601792335.db2.gz LGVLYDCKJPNENK-SCLBCKFNSA-N -1 0 365.389 3.535 20 30 FHEDRM C=CCn1c(SCc2ccsc2C(=O)[O-])nnc1-c1cccnc1 ZINC000825711106 601808668 /nfs/dbraw/zinc/80/86/68/601808668.db2.gz OZCAMOFDAFDSMI-UHFFFAOYSA-N -1 0 358.448 3.578 20 30 FHEDRM Cc1oc(COC(=O)c2ccc(C(F)(F)F)cc2C#N)cc1C(=O)[O-] ZINC000833027528 601847449 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367.254 3.699 20 30 FHEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1F ZINC000833069038 602016017 /nfs/dbraw/zinc/01/60/17/602016017.db2.gz SAYBZKJHLJKZNG-CQSZACIVSA-N -1 0 367.254 3.699 20 30 FHEDRM Cc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000794690049 602105004 /nfs/dbraw/zinc/10/50/04/602105004.db2.gz GYRKTNLEKRNYHU-HKBVPSITSA-N -1 0 355.346 3.651 20 30 FHEDRM Cc1nn(C(C)C)c(C)c1C(=O)/C=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000833012793 602111751 /nfs/dbraw/zinc/11/17/51/602111751.db2.gz GQNOIXCAZUEPQP-MEODZPNASA-N -1 0 356.422 3.829 20 30 FHEDRM N#CCn1c(C(=O)Nc2cc(NC(=O)[O-])ccc2F)cc2ccccc21 ZINC000740310372 602473863 /nfs/dbraw/zinc/47/38/63/602473863.db2.gz JCEVRALHOLHOGI-UHFFFAOYSA-N -1 0 352.325 3.646 20 30 FHEDRM COc1ccc(NC(=O)[O-])c(NC(=O)c2cc3ccccc3n2CC#N)c1 ZINC000739917272 602474187 /nfs/dbraw/zinc/47/41/87/602474187.db2.gz GNBBPPXOJZPDGA-UHFFFAOYSA-N -1 0 364.361 3.516 20 30 FHEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCCCN2C(=O)[O-])cc1 ZINC000740310293 602499198 /nfs/dbraw/zinc/49/91/98/602499198.db2.gz RQOVLPOVLWZYPZ-RTBURBONSA-N -1 0 363.417 3.813 20 30 FHEDRM N#Cc1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1Cl ZINC000740315555 602642767 /nfs/dbraw/zinc/64/27/67/602642767.db2.gz KOOAYMUKYNPFID-INIZCTEOSA-N -1 0 357.797 3.939 20 30 FHEDRM C=C(C)CN(CC)C(=O)CNc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000738470108 602645837 /nfs/dbraw/zinc/64/58/37/602645837.db2.gz IIVQQFAKUZMTPQ-UHFFFAOYSA-N -1 0 359.348 3.632 20 30 FHEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738731385 602676790 /nfs/dbraw/zinc/67/67/90/602676790.db2.gz QUANPWKUZFPJAS-SFHVURJKSA-N -1 0 365.433 3.998 20 30 FHEDRM C[C@H](CCNC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)NC(=O)[O-] ZINC000738902237 602689663 /nfs/dbraw/zinc/68/96/63/602689663.db2.gz RQERTZCVTMQNPQ-CYBMUJFWSA-N -1 0 368.393 3.518 20 30 FHEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CCC[C@@H]2NC(=O)[O-])cc1 ZINC000740302726 602956034 /nfs/dbraw/zinc/95/60/34/602956034.db2.gz 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UKALQOHQWFVKDA-WIBUTAKZSA-N -1 0 358.438 3.725 20 30 FHEDRM Cc1cccc(COc2cccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c2)c1 ZINC000821112160 598227383 /nfs/dbraw/zinc/22/73/83/598227383.db2.gz HRMOEGMHYSDRAZ-FQEVSTJZSA-N -1 0 352.390 3.517 20 30 FHEDRM [O-]c1c(Cl)cc(Cl)cc1C=NCc1ccc(-c2nn[nH]n2)cc1F ZINC000738396061 598296964 /nfs/dbraw/zinc/29/69/64/598296964.db2.gz FQCNZMQEDHJTNJ-GXHLCREISA-N -1 0 366.183 3.637 20 30 FHEDRM CCCC(Cc1ccccc1)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000736426609 598437392 /nfs/dbraw/zinc/43/73/92/598437392.db2.gz RFOQQIMQAMEJSQ-UHFFFAOYSA-N -1 0 353.430 3.789 20 30 FHEDRM CN(C(=O)[O-])c1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000737329756 599711876 /nfs/dbraw/zinc/71/18/76/599711876.db2.gz ABSFAXKKJGMAPX-UHFFFAOYSA-N -1 0 364.405 3.869 20 30 FHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000736113950 599712842 /nfs/dbraw/zinc/71/28/42/599712842.db2.gz DYXYNLWEPQSIIQ-ZDUSSCGKSA-N -1 0 370.401 3.840 20 30 FHEDRM N#Cc1ccc(OCc2ccc(C(=O)Oc3cccc(C(=O)[O-])c3)o2)cc1 ZINC000738431514 599795423 /nfs/dbraw/zinc/79/54/23/599795423.db2.gz WIARRVHPCDQQEN-UHFFFAOYSA-N -1 0 363.325 3.648 20 30 FHEDRM N#Cc1ccc(OCc2ccc(C(=O)Nc3sccc3C(=O)[O-])o2)cc1 ZINC000739129039 599797232 /nfs/dbraw/zinc/79/72/32/599797232.db2.gz QAJHYZAYXQLXCC-UHFFFAOYSA-N -1 0 368.370 3.742 20 30 FHEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2ccc(C#N)cc2)cc1 ZINC000738200002 599847369 /nfs/dbraw/zinc/84/73/69/599847369.db2.gz DNYSKEGEFJKSOI-GOSISDBHSA-N -1 0 368.458 3.545 20 30 FHEDRM C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736202676 599854392 /nfs/dbraw/zinc/85/43/92/599854392.db2.gz PLJOBBQDMSXHSO-CYBMUJFWSA-N -1 0 369.446 3.687 20 30 FHEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000738199399 599887409 /nfs/dbraw/zinc/88/74/09/599887409.db2.gz ATRMDPGGTSHJFW-MRXNPFEDSA-N -1 0 373.409 3.757 20 30 FHEDRM CSC[C@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000738188424 599971248 /nfs/dbraw/zinc/97/12/48/599971248.db2.gz KWBHQUZMFZRYCT-AWEZNQCLSA-N -1 0 353.443 3.722 20 30 FHEDRM C=CCN1C(=O)N[C@H](c2csc(-c3ccc(F)cc3)n2)C(C(=O)[O-])=C1C ZINC000736107485 599983530 /nfs/dbraw/zinc/98/35/30/599983530.db2.gz XCETURRCYRRSJK-OAHLLOKOSA-N -1 0 373.409 3.560 20 30 FHEDRM COc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000738008131 600011986 /nfs/dbraw/zinc/01/19/86/600011986.db2.gz FJLMSBWLXWFTRQ-UHFFFAOYSA-N -1 0 350.296 3.896 20 30 FHEDRM C=CCOc1cccc(NC(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])c1 ZINC000736114242 600024276 /nfs/dbraw/zinc/02/42/76/600024276.db2.gz QDARFZWJXRAIQM-KRWDZBQOSA-N -1 0 368.433 3.625 20 30 FHEDRM N#Cc1ccccc1/C=C/C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000739140647 600068217 /nfs/dbraw/zinc/06/82/17/600068217.db2.gz WTBNUJHEXJWICG-CMDGGOBGSA-N -1 0 366.442 3.918 20 30 FHEDRM C=CCN(CC=C)C(=O)COc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000736108315 600075498 /nfs/dbraw/zinc/07/54/98/600075498.db2.gz TZFSJSDZUPLLHM-UHFFFAOYSA-N -1 0 357.431 3.693 20 30 FHEDRM C=C(C)COc1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000736094324 600114686 /nfs/dbraw/zinc/11/46/86/600114686.db2.gz BOFVOJUGPOTNAI-UHFFFAOYSA-N -1 0 352.390 3.887 20 30 FHEDRM N#Cc1ccc(Oc2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)cc2)nc1 ZINC000739130166 600372563 /nfs/dbraw/zinc/37/25/63/600372563.db2.gz MEYQOVNYWJVDDA-LJQANCHMSA-N -1 0 374.352 3.728 20 30 FHEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2sccc2C#N)cc1 ZINC000736298375 600393956 /nfs/dbraw/zinc/39/39/56/600393956.db2.gz QRNZMYOHHCMNAL-OAHLLOKOSA-N -1 0 356.447 3.863 20 30 FHEDRM N#Cc1ccc(Oc2ccc(C(=O)Oc3cccc(CC(=O)[O-])c3)cc2)nc1 ZINC000739130204 600421997 /nfs/dbraw/zinc/42/19/97/600421997.db2.gz NLHPKNXWKIZOIN-UHFFFAOYSA-N -1 0 374.352 3.592 20 30 FHEDRM N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(C(=O)[O-])c3O)c2)cc1 ZINC000739121020 600464837 /nfs/dbraw/zinc/46/48/37/600464837.db2.gz JLZFJXVCFPXBSM-UHFFFAOYSA-N -1 0 373.368 3.958 20 30 FHEDRM N#Cc1ccc(Nc2cccc(C(=O)OCc3cc(C(=O)[O-])co3)c2)cc1 ZINC000739120637 600468023 /nfs/dbraw/zinc/46/80/23/600468023.db2.gz BJZATYZTLPGFDA-UHFFFAOYSA-N -1 0 362.341 3.950 20 30 FHEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000739123001 600478453 /nfs/dbraw/zinc/47/84/53/600478453.db2.gz KEMJIIPXWJJJBE-KRWDZBQOSA-N -1 0 369.808 3.517 20 30 FHEDRM N#CCSc1ccccc1C(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000739092737 600497058 /nfs/dbraw/zinc/49/70/58/600497058.db2.gz VUAGJAHGSNDGRG-UHFFFAOYSA-N -1 0 370.430 3.798 20 30 FHEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])cn1 ZINC000739102357 600571672 /nfs/dbraw/zinc/57/16/72/600571672.db2.gz VTUFEILJZQTVIX-UHFFFAOYSA-N -1 0 359.341 3.696 20 30 FHEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCc3cccc(Br)c3C2)cc1 ZINC000739104549 600572569 /nfs/dbraw/zinc/57/25/69/600572569.db2.gz HADOZKBLFVTKEX-QGZVFWFLSA-N -1 0 371.234 3.505 20 30 FHEDRM C[C@H](CC(=O)[O-])SCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000736551758 600591811 /nfs/dbraw/zinc/59/18/11/600591811.db2.gz HWRRACVBEJFLOK-NWDGAFQWSA-N -1 0 352.481 3.616 20 30 FHEDRM N#CCc1cccc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000486397210 600597704 /nfs/dbraw/zinc/59/77/04/600597704.db2.gz RBLVCEWUGBEZQD-HXUWFJFHSA-N -1 0 372.424 3.579 20 30 FHEDRM COc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000738038189 600598471 /nfs/dbraw/zinc/59/84/71/600598471.db2.gz CAPNWBPXJPPMKA-OAHLLOKOSA-N -1 0 361.195 3.567 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)CSc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739114440 600603492 /nfs/dbraw/zinc/60/34/92/600603492.db2.gz GVKSMBSNVFWUTJ-MRXNPFEDSA-N -1 0 361.806 3.673 20 30 FHEDRM Cc1ccc(C(C)C)c(OCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738550036 600603906 /nfs/dbraw/zinc/60/39/06/600603906.db2.gz BYCYRSZOYINYRD-HXUWFJFHSA-N -1 0 367.401 3.738 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)CCCc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000739109849 600604317 /nfs/dbraw/zinc/60/43/17/600604317.db2.gz NTVIYMZDXOZUAS-HXUWFJFHSA-N -1 0 362.385 3.731 20 30 FHEDRM CC[C@H](C)c1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736891036 600606636 /nfs/dbraw/zinc/60/66/36/600606636.db2.gz KVSWDSLREKTYAP-XOBRGWDASA-N -1 0 367.401 3.820 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(SC(F)F)cc2)C(=O)[O-])cc1 ZINC000739114034 600606938 /nfs/dbraw/zinc/60/69/38/600606938.db2.gz FLGZTUJORHUONG-CQSZACIVSA-N -1 0 363.341 3.856 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)c2[nH]c3ccccc3c2Cl)C(=O)[O-])cc1 ZINC000739113956 600611256 /nfs/dbraw/zinc/61/12/56/600611256.db2.gz CZAKMXBSJDCEQH-INIZCTEOSA-N -1 0 354.749 3.676 20 30 FHEDRM Cc1cc(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1Cl ZINC000738464254 600613092 /nfs/dbraw/zinc/61/30/92/600613092.db2.gz DQNPVTWKCIBEJQ-YVEFUNNKSA-N -1 0 373.792 3.657 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(Cl)c(Cl)c2O)C(=O)[O-])cc1 ZINC000739116125 600617216 /nfs/dbraw/zinc/61/72/16/600617216.db2.gz ZTCBJSWSJWRWNH-AWEZNQCLSA-N -1 0 366.156 3.553 20 30 FHEDRM CC(=NN=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1)c1cnccn1 ZINC000825798493 600689668 /nfs/dbraw/zinc/68/96/68/600689668.db2.gz MLECJMQMNCVCIJ-UHFFFAOYSA-N -1 0 374.400 3.597 20 30 FHEDRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827428058 600722874 /nfs/dbraw/zinc/72/28/74/600722874.db2.gz QPBBCCAWSJXQJN-SCLBCKFNSA-N -1 0 355.365 3.635 20 30 FHEDRM C[C@@H](CCc1cccc(F)c1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827428059 600722899 /nfs/dbraw/zinc/72/28/99/600722899.db2.gz QPBBCCAWSJXQJN-UGSOOPFHSA-N -1 0 355.365 3.635 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Oc3ccccc3)ccn2)C(=O)[O-])cc1 ZINC000833071007 600741599 /nfs/dbraw/zinc/74/15/99/600741599.db2.gz CDCZZHXBLXSLOS-IBGZPJMESA-N -1 0 374.352 3.728 20 30 FHEDRM N#Cc1ccc(NC(=S)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1Cl ZINC000739121896 600820247 /nfs/dbraw/zinc/82/02/47/600820247.db2.gz YSNNJFMSDSICPB-GFCCVEGCSA-N -1 0 371.849 3.987 20 30 FHEDRM CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000826705397 600961310 /nfs/dbraw/zinc/96/13/10/600961310.db2.gz ZCGNGBXWXUYNJV-KRWDZBQOSA-N -1 0 371.368 3.720 20 30 FHEDRM N#Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000833074214 601060448 /nfs/dbraw/zinc/06/04/48/601060448.db2.gz RVTILIXLVSQREA-AWEZNQCLSA-N -1 0 350.157 3.848 20 30 FHEDRM N#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000833071582 601061882 /nfs/dbraw/zinc/06/18/82/601061882.db2.gz JKXDHDDQLZZZRP-AWEZNQCLSA-N -1 0 350.157 3.848 20 30 FHEDRM CC(C)CCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000826848928 601126693 /nfs/dbraw/zinc/12/66/93/601126693.db2.gz MCIXZJQUEWYFMO-UHFFFAOYSA-N -1 0 361.442 3.966 20 30 FHEDRM N#Cc1ccccc1N(Cc1ccco1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833075845 601149808 /nfs/dbraw/zinc/14/98/08/601149808.db2.gz XQYQHFHNAOEEMB-CABCVRRESA-N -1 0 352.390 3.575 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(Oc3ccccc3)o2)C(=O)[O-])cc1 ZINC000833071478 601189262 /nfs/dbraw/zinc/18/92/62/601189262.db2.gz GDKMQZDAKYJZNA-SFHVURJKSA-N -1 0 363.325 3.926 20 30 FHEDRM N#CC(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000833064413 601236875 /nfs/dbraw/zinc/23/68/75/601236875.db2.gz RRECDWRPVPNHSW-SOUVJXGZSA-N -1 0 354.431 3.877 20 30 FHEDRM N#CC(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000833064411 601236998 /nfs/dbraw/zinc/23/69/98/601236998.db2.gz RRECDWRPVPNHSW-RRFJBIMHSA-N -1 0 354.431 3.877 20 30 FHEDRM CCC1CCC(NC(=O)CCCCOc2cccc(C#N)c2)(C(=O)[O-])CC1 ZINC000829085959 601275228 /nfs/dbraw/zinc/27/52/28/601275228.db2.gz DBDVGJSQMBZWHQ-UHFFFAOYSA-N -1 0 372.465 3.647 20 30 FHEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cc(C)c(OCC(=O)[O-])c(C)c1)C2 ZINC000832486896 601294365 /nfs/dbraw/zinc/29/43/65/601294365.db2.gz CMRHKUMIMWKBPS-PXNMLYILSA-N -1 0 352.386 3.598 20 30 FHEDRM N#Cc1cccc([C@@H](Nc2ccc(N3CCCC3=O)c(Cl)c2)C(=O)[O-])c1 ZINC000833074875 601299862 /nfs/dbraw/zinc/29/98/62/601299862.db2.gz FVWWUPRDEJXGLL-GOSISDBHSA-N -1 0 369.808 3.576 20 30 FHEDRM C=CCOc1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000825702333 601310108 /nfs/dbraw/zinc/31/01/08/601310108.db2.gz KKOLUIHDOLAKFD-QGZVFWFLSA-N -1 0 358.369 3.728 20 30 FHEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000825699018 601318035 /nfs/dbraw/zinc/31/80/35/601318035.db2.gz PZZSEEMAEHJJFA-UHFFFAOYSA-N -1 0 368.311 3.559 20 30 FHEDRM O=C([O-])c1ccc(/C=C2/CSc3ccc(Br)cc3C2=O)[nH]1 ZINC000833312856 601332242 /nfs/dbraw/zinc/33/22/42/601332242.db2.gz YGEPRPQAEGAGGM-YVMONPNESA-N -1 0 364.220 3.847 20 30 FHEDRM O=C([O-])c1ccc(/C=C/C(=O)c2c[nH]c3cc(Br)ccc23)[nH]1 ZINC000833312523 601332322 /nfs/dbraw/zinc/33/23/22/601332322.db2.gz QHOFDXOIVYFQJT-ZZXKWVIFSA-N -1 0 359.179 3.853 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)c2cc3c(cccc3F)s2)C(=O)[O-])c1 ZINC000833077734 601344564 /nfs/dbraw/zinc/34/45/64/601344564.db2.gz ZRKNSFVJVYRPBU-INIZCTEOSA-N -1 0 355.346 3.895 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(-c3ccc(F)cc3)o2)C(=O)[O-])c1 ZINC000833077423 601345586 /nfs/dbraw/zinc/34/55/86/601345586.db2.gz SAKKOYFLZUNUIT-SFHVURJKSA-N -1 0 365.316 3.940 20 30 FHEDRM CC[C@@H](C)c1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828770843 601345814 /nfs/dbraw/zinc/34/58/14/601345814.db2.gz VTULZEJYKSXZBA-VLIAUNLRSA-N -1 0 367.401 3.820 20 30 FHEDRM COc1cc(CS[C@H](C)C(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000739861561 601346223 /nfs/dbraw/zinc/34/62/23/601346223.db2.gz WBFQCODXERYVFV-CYBMUJFWSA-N -1 0 357.431 3.852 20 30 FHEDRM Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832991652 601347575 /nfs/dbraw/zinc/34/75/75/601347575.db2.gz PHDIKUAWXXRWBA-FQEVSTJZSA-N -1 0 372.380 3.911 20 30 FHEDRM Cc1ccc(Cl)c(O[C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832935600 601349467 /nfs/dbraw/zinc/34/94/67/601349467.db2.gz UNUSPZYYLHMUQF-PXAZEXFGSA-N -1 0 373.792 3.657 20 30 FHEDRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832935602 601349511 /nfs/dbraw/zinc/34/95/11/601349511.db2.gz UNUSPZYYLHMUQF-SJCJKPOMSA-N -1 0 373.792 3.657 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C(=O)[O-])c1 ZINC000833076406 601349731 /nfs/dbraw/zinc/34/97/31/601349731.db2.gz 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369.421 3.683 20 30 FHEDRM CCOc1ccc(C#N)cc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000827422660 603402758 /nfs/dbraw/zinc/40/27/58/603402758.db2.gz FBZYMCRGZRNCEW-ACJLOTCBSA-N -1 0 367.405 3.540 20 30 FHEDRM CC(C)(CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)NC(=O)[O-] ZINC000823941682 603452455 /nfs/dbraw/zinc/45/24/55/603452455.db2.gz WAWMGWGJSCENMG-KRWDZBQOSA-N -1 0 366.421 3.510 20 30 FHEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000831070440 603474126 /nfs/dbraw/zinc/47/41/26/603474126.db2.gz KYBWSGXMKPSUQB-QXAKKESOSA-N -1 0 363.417 3.717 20 30 FHEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000831156640 603514350 /nfs/dbraw/zinc/51/43/50/603514350.db2.gz FTRUHWNOWNYWAE-XJKSGUPXSA-N -1 0 365.389 3.725 20 30 FHEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)cc2)cc1 ZINC000831141585 603524612 /nfs/dbraw/zinc/52/46/12/603524612.db2.gz KDANZLCFDJBPDM-ZBFHGGJFSA-N -1 0 365.389 3.725 20 30 FHEDRM 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ZINC000828764468 601355526 /nfs/dbraw/zinc/35/55/26/601355526.db2.gz KEWQLGOPHFXROW-FZKQIMNGSA-N -1 0 353.374 3.718 20 30 FHEDRM Cc1ccc(OCCCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC000832951997 601355728 /nfs/dbraw/zinc/35/57/28/601355728.db2.gz AIMPYTJDAUXXFO-FQEVSTJZSA-N -1 0 367.401 3.703 20 30 FHEDRM N#Cc1ccccc1Sc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000833076662 601433454 /nfs/dbraw/zinc/43/34/54/601433454.db2.gz LKTCTCAMBPFUOG-UHFFFAOYSA-N -1 0 366.442 3.837 20 30 FHEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000828645295 601463371 /nfs/dbraw/zinc/46/33/71/601463371.db2.gz LGTYSGRXRBIYIP-NRFANRHFSA-N -1 0 366.417 3.510 20 30 FHEDRM C[C@H](CNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1)C(=O)[O-] ZINC000827486793 601619003 /nfs/dbraw/zinc/61/90/03/601619003.db2.gz VHFSTQGKIBALLK-MLGOLLRUSA-N -1 0 371.824 3.838 20 30 FHEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H](C)C(=O)[O-] ZINC000832900786 601621362 /nfs/dbraw/zinc/62/13/62/601621362.db2.gz 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364.401 3.642 20 30 FHEDRM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H]1C(=O)[O-] ZINC000828401319 601708288 /nfs/dbraw/zinc/70/82/88/601708288.db2.gz FWSKKLZNXXXSPG-XJKSGUPXSA-N -1 0 366.442 3.502 20 30 FHEDRM CC(C)(CNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)[O-] ZINC000826602062 601711764 /nfs/dbraw/zinc/71/17/64/601711764.db2.gz IIQKWPJOGWRXRC-UHFFFAOYSA-N -1 0 372.808 3.845 20 30 FHEDRM C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3c[nH]c(C(=O)[O-])c3)c12 ZINC000825711228 601791911 /nfs/dbraw/zinc/79/19/11/601791911.db2.gz UUJMHCYGJZREJC-CMDGGOBGSA-N -1 0 374.400 3.706 20 30 FHEDRM C=CCn1c(SCc2ccc(C(=O)[O-])s2)nnc1-c1cccnc1 ZINC000825711234 601844741 /nfs/dbraw/zinc/84/47/41/601844741.db2.gz VARZZHAIOORKPS-UHFFFAOYSA-N -1 0 358.448 3.578 20 30 FHEDRM CCC[C@@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000739322336 601898503 /nfs/dbraw/zinc/89/85/03/601898503.db2.gz NDNRXTODRNGOMA-MRXNPFEDSA-N -1 0 353.378 3.725 20 30 FHEDRM Cc1c(NCC(=O)N(CCC#N)c2cccc(Cl)c2)cccc1C(=O)[O-] ZINC000832856757 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372.812 3.591 20 30 FHEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000738896432 603199780 /nfs/dbraw/zinc/19/97/80/603199780.db2.gz ZTVONALKVDMGFA-MCIONIFRSA-N -1 0 361.467 3.846 20 30 FHEDRM N#CCCCOc1cccnc1NC(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740308344 603245533 /nfs/dbraw/zinc/24/55/33/603245533.db2.gz XSYKCXSIBGFGIO-UHFFFAOYSA-N -1 0 374.784 3.760 20 30 FHEDRM C#CCOc1ccc(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)cc1 ZINC000823466933 603314230 /nfs/dbraw/zinc/31/42/30/603314230.db2.gz MLAVQOJFFRWEBF-ZDUSSCGKSA-N -1 0 353.378 3.671 20 30 FHEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)CN(CC2CC2)C(=O)[O-])cc1 ZINC000831070318 603327093 /nfs/dbraw/zinc/32/70/93/603327093.db2.gz IZQOKODTAMJRJL-IBGZPJMESA-N -1 0 363.417 3.671 20 30 FHEDRM CCN(Cc1cccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000739441735 603342876 /nfs/dbraw/zinc/34/28/76/603342876.db2.gz IAXLFLOUHBODEQ-CQSZACIVSA-N -1 0 366.421 3.941 20 30 FHEDRM CCN(CC(=O)N(Cc1cccc(C#N)c1)c1ccc(F)cc1C)C(=O)[O-] ZINC000739386411 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C=CCC[C@H](NC(=O)N=c1[n-]nc(CC(F)(F)F)s1)c1ccccc1 ZINC000435608001 943513867 /nfs/dbraw/zinc/51/38/67/943513867.db2.gz QBRJBPHJIVUCRQ-LBPRGKRZSA-N -1 0 370.400 3.894 20 30 FHEDRM Cc1cc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)ccc1C#N ZINC000435714851 943575999 /nfs/dbraw/zinc/57/59/99/943575999.db2.gz MNEZBODMYIRMFZ-UHFFFAOYSA-N -1 0 354.353 3.772 20 30 FHEDRM Cc1cc(C(=O)[N-]S(=O)(=O)C2CCCC2)c(C)cc1Br ZINC000091868165 943693744 /nfs/dbraw/zinc/69/37/44/943693744.db2.gz IXHZZROKIZHACC-UHFFFAOYSA-N -1 0 360.273 3.643 20 30 FHEDRM C=CCc1cc(C[NH2+][C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(OC)c1O ZINC000417628190 943766489 /nfs/dbraw/zinc/76/64/89/943766489.db2.gz OZHKEGVVAKPIDQ-ROUUACIJSA-N -1 0 353.418 3.532 20 30 FHEDRM C=CCN(CC1CCCCC1)C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000500007333 943941383 /nfs/dbraw/zinc/94/13/83/943941383.db2.gz SKHZEBYMLMRMCV-UHFFFAOYSA-N -1 0 369.465 3.795 20 30 FHEDRM N#CCCN(c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436480022 944346442 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COc1cccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)c1F ZINC000195501935 944886489 /nfs/dbraw/zinc/88/64/89/944886489.db2.gz DVGXGFINBAEUJV-KAMYIIQDSA-N -1 0 351.333 3.577 20 30 FHEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)nnn1-c1ccc(C)cc1 ZINC000516465229 944914652 /nfs/dbraw/zinc/91/46/52/944914652.db2.gz QAZDHHALMWCLIS-OAHLLOKOSA-N -1 0 373.441 3.984 20 30 FHEDRM Cn1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)c(-c2ccc(C#N)cc2)n1 ZINC000550005460 944924215 /nfs/dbraw/zinc/92/42/15/944924215.db2.gz QELOSZHSEHANEH-VQHVLOKHSA-N -1 0 370.368 3.969 20 30 FHEDRM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3s2)NC1=O ZINC000511724544 944949412 /nfs/dbraw/zinc/94/94/12/944949412.db2.gz WCWCQHGJXVSUQR-ZYHUDNBSSA-N -1 0 363.398 3.506 20 30 FHEDRM CC[C@@H](c1n[n-]c(=NC(=O)N2CCC(CC#N)CC2)s1)c1ccccc1 ZINC000543828371 945020141 /nfs/dbraw/zinc/02/01/41/945020141.db2.gz QGIMWQWYGSNYEK-MRXNPFEDSA-N -1 0 369.494 3.659 20 30 FHEDRM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2C[C@@H](c3ccccc3)[C@H]2C)o1 ZINC000820197757 945371887 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FHEDRM O=[N+]([O-])c1ccc(C=NNc2ccc(Br)cc2F)cc1[O-] ZINC000728432064 946661156 /nfs/dbraw/zinc/66/11/56/946661156.db2.gz HOMPRHMUFFDBBR-UHFFFAOYSA-N -1 0 354.135 3.648 20 30 FHEDRM COc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1[N+](=O)[O-] ZINC000430633329 946782581 /nfs/dbraw/zinc/78/25/81/946782581.db2.gz ZZJOUJKYCJTVDF-LLVKDONJSA-N -1 0 359.407 3.847 20 30 FHEDRM C[C@@H]1C[C@@H](CNC(=O)c2cc(Cl)cc(Br)c2[O-])CCO1 ZINC000331246903 947380669 /nfs/dbraw/zinc/38/06/69/947380669.db2.gz VNURBXGXFHPGEO-BDAKNGLRSA-N -1 0 362.651 3.928 20 30 FHEDRM C=CCCCCCCCNC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC001573334604 947458710 /nfs/dbraw/zinc/45/87/10/947458710.db2.gz FXDYCLAIJMAGBY-HNNXBMFYSA-N -1 0 356.474 3.754 20 30 FHEDRM O=C(C=Cc1ccnc(Cl)c1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000092693731 947535560 /nfs/dbraw/zinc/53/55/60/947535560.db2.gz IOASSFFHVVLYMA-AATRIKPKSA-N -1 0 357.218 3.747 20 30 FHEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C(C)(C)C)n1 ZINC000125742844 947656894 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CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000468913039 948818176 /nfs/dbraw/zinc/81/81/76/948818176.db2.gz KAHLHHBFDOPLHL-UHFFFAOYSA-N -1 0 350.827 3.720 20 30 FHEDRM Cn1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)ccc1[N+](=O)[O-] ZINC000603847057 568162813 /nfs/dbraw/zinc/16/28/13/568162813.db2.gz ZZQXRFOGKOEVER-VIFPVBQESA-N -1 0 360.782 3.686 20 30 FHEDRM N#C[C@@H](Cc1ccccc1)Sc1n[n-]c(=NCc2ccccc2)s1 ZINC000603975438 568192732 /nfs/dbraw/zinc/19/27/32/568192732.db2.gz ZZXSBSYWCLCOOZ-MRXNPFEDSA-N -1 0 352.488 3.799 20 30 FHEDRM N#Cc1ccc(CNC(=O)c2cc(Cl)cc(Br)c2[O-])cc1 ZINC000436636222 568194447 /nfs/dbraw/zinc/19/44/47/568194447.db2.gz YBTIVIORSBFKJQ-UHFFFAOYSA-N -1 0 365.614 3.610 20 30 FHEDRM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000436654366 568252303 /nfs/dbraw/zinc/25/23/03/568252303.db2.gz XEZOQEUAAWRGPO-UHFFFAOYSA-N -1 0 361.357 3.764 20 30 FHEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000569263294 568317809 /nfs/dbraw/zinc/31/78/09/568317809.db2.gz RWMCLMHOHWZWAF-NEPJUHHUSA-N -1 0 361.232 3.630 20 30 FHEDRM N#Cc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c1 ZINC000569998152 568448043 /nfs/dbraw/zinc/44/80/43/568448043.db2.gz SBXVUALZOBHNSG-AWEZNQCLSA-N -1 0 364.188 3.812 20 30 FHEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)c2)cc1 ZINC000819106438 597098257 /nfs/dbraw/zinc/09/82/57/597098257.db2.gz QMGOQWLLHQLUGE-MRXNPFEDSA-N -1 0 364.401 3.677 20 30 FHEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737623607 597182153 /nfs/dbraw/zinc/18/21/53/597182153.db2.gz OQJMFRVFLBNCEA-UHFFFAOYSA-N -1 0 365.433 3.875 20 30 FHEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737828731 597183030 /nfs/dbraw/zinc/18/30/30/597183030.db2.gz UGELHDCPOWNRSG-UHFFFAOYSA-N -1 0 351.406 3.629 20 30 FHEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000817872167 597326101 /nfs/dbraw/zinc/32/61/01/597326101.db2.gz YFWIOENIQKHYGO-UHFFFAOYSA-N -1 0 365.433 3.875 20 30 FHEDRM Cc1cc(C)c(-c2csc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2)c(C)c1 ZINC000820963740 598221997 /nfs/dbraw/zinc/22/19/97/598221997.db2.gz PMQOVULWBOATPC-GOSISDBHSA-N -1 0 357.435 3.678 20 30 FHEDRM COc1ccccc1-c1ccc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820871281 598228857 /nfs/dbraw/zinc/22/88/57/598228857.db2.gz VDRKFAPMIXPMRR-QKKBWIMNSA-N -1 0 366.417 3.544 20 30 FHEDRM CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CCCNC(=O)[O-])sc2C1 ZINC000736252430 599709834 /nfs/dbraw/zinc/70/98/34/599709834.db2.gz POLORDKLNCGWOQ-LLVKDONJSA-N -1 0 363.483 3.757 20 30 FHEDRM COc1cc(C=NNC2CCCC2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000737878919 599731763 /nfs/dbraw/zinc/73/17/63/599731763.db2.gz MXULMXFAXSPIGW-UHFFFAOYSA-N -1 0 368.433 3.839 20 30 FHEDRM N#CCn1c(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc2ccccc21 ZINC000739090975 599751289 /nfs/dbraw/zinc/75/12/89/599751289.db2.gz CILURSODEUWFQK-UHFFFAOYSA-N -1 0 352.325 3.646 20 30 FHEDRM C=CCc1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc(OC)c1OC ZINC000540702174 599768622 /nfs/dbraw/zinc/76/86/22/599768622.db2.gz QSPPQQUNGVMEPS-UHFFFAOYSA-N -1 0 369.417 3.702 20 30 FHEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000738956747 599769292 /nfs/dbraw/zinc/76/92/92/599769292.db2.gz FPKQBNCWLZTWJR-UHFFFAOYSA-N -1 0 363.373 3.520 20 30 FHEDRM N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)[O-])s3)o2)cc1 ZINC000739128705 599795638 /nfs/dbraw/zinc/79/56/38/599795638.db2.gz IUYUYURSKHHALP-UHFFFAOYSA-N -1 0 368.370 3.742 20 30 FHEDRM N#Cc1cccc(OCc2ccoc2C(=O)Oc2ccc(C(=O)[O-])cc2)c1 ZINC000738434161 599807443 /nfs/dbraw/zinc/80/74/43/599807443.db2.gz VCMALDLYDSXSOH-UHFFFAOYSA-N -1 0 363.325 3.648 20 30 FHEDRM C=CCN(CC=C)C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000736108109 599820095 /nfs/dbraw/zinc/82/00/95/599820095.db2.gz KCFNLLQPMRVQMM-UHFFFAOYSA-N -1 0 358.316 3.532 20 30 FHEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)CCCN(C)C(=O)[O-])c1 ZINC000736090770 599842337 /nfs/dbraw/zinc/84/23/37/599842337.db2.gz KIXFNWDSIFYJAN-UHFFFAOYSA-N -1 0 356.447 3.653 20 30 FHEDRM Cc1cc(C(=O)OCc2ccc(C(=O)[O-])o2)c(C)n1-c1ccc(C#N)cc1 ZINC000738351836 599884716 /nfs/dbraw/zinc/88/47/16/599884716.db2.gz LVTNUVGLOKTBSZ-UHFFFAOYSA-N -1 0 364.357 3.614 20 30 FHEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000738199398 599887378 /nfs/dbraw/zinc/88/73/78/599887378.db2.gz ATRMDPGGTSHJFW-INIZCTEOSA-N -1 0 373.409 3.757 20 30 FHEDRM Cc1[nH]c(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c(C)c1C(=O)[O-] ZINC000738153898 599920236 /nfs/dbraw/zinc/92/02/36/599920236.db2.gz GAJMSOAKJVHFIY-OAHLLOKOSA-N -1 0 353.422 3.622 20 30 FHEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000736544104 599973123 /nfs/dbraw/zinc/97/31/23/599973123.db2.gz ACDYPTVJLXBQJA-ZDUSSCGKSA-N -1 0 370.430 3.797 20 30 FHEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000263464456 599981184 /nfs/dbraw/zinc/98/11/84/599981184.db2.gz FTDFYKNJXPKRGP-HSBZDZAISA-N -1 0 361.467 3.846 20 30 FHEDRM O=C([O-])c1ccc(CCC(=O)N2CCCSC2=Nc2ccccc2)cc1 ZINC000740123239 600033867 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N#Cc1ccc(Oc2ccc(C(=O)Oc3cccc(C(=O)[O-])c3)cc2)nc1 ZINC000738434535 600190097 /nfs/dbraw/zinc/19/00/97/600190097.db2.gz JUIZFESNZMDWSP-UHFFFAOYSA-N -1 0 360.325 3.663 20 30 FHEDRM N#Cc1ccc(Oc2ccc(C(=O)Nc3sccc3C(=O)[O-])cc2)nc1 ZINC000739130062 600195420 /nfs/dbraw/zinc/19/54/20/600195420.db2.gz KSLZGUOZQLGPAP-UHFFFAOYSA-N -1 0 365.370 3.758 20 30 FHEDRM N#Cc1ccc(OC(F)F)c(NC(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000739120806 600232628 /nfs/dbraw/zinc/23/26/28/600232628.db2.gz FBKIROSNULQGCO-UHFFFAOYSA-N -1 0 362.292 3.894 20 30 FHEDRM C=CCn1c2ccccc2n(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1=S ZINC000736116924 600278623 /nfs/dbraw/zinc/27/86/23/600278623.db2.gz FJEFRAIETXRXFI-CQSZACIVSA-N -1 0 357.479 3.502 20 30 FHEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000736849322 600335609 /nfs/dbraw/zinc/33/56/09/600335609.db2.gz QWIGRIAIGWJOAT-HNNXBMFYSA-N -1 0 367.405 3.696 20 30 FHEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736113771 600343745 /nfs/dbraw/zinc/34/37/45/600343745.db2.gz FLHSUSWCIAJCDQ-UHFFFAOYSA-N -1 0 369.421 3.683 20 30 FHEDRM CC[C@@H](C(=O)[O-])N(C(=O)CSc1ccc(C#N)cc1)c1ccccc1 ZINC000736852239 600385959 /nfs/dbraw/zinc/38/59/59/600385959.db2.gz MGQQFAIDRGRYOE-KRWDZBQOSA-N -1 0 354.431 3.547 20 30 FHEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C#N)cc2)cc1 ZINC000736296690 600391574 /nfs/dbraw/zinc/39/15/74/600391574.db2.gz HQJRTPMSQSWGCI-GOSISDBHSA-N -1 0 350.418 3.802 20 30 FHEDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000736319838 600416444 /nfs/dbraw/zinc/41/64/44/600416444.db2.gz OMSNQOGLWYRSCQ-UHFFFAOYSA-N -1 0 370.380 3.863 20 30 FHEDRM C=CCNC(=O)Nc1ccc(N[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000736105703 600420593 /nfs/dbraw/zinc/42/05/93/600420593.db2.gz FSSBPRUHDRRCLF-INIZCTEOSA-N -1 0 359.813 3.885 20 30 FHEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CS[C@H](C)c1ccc(C#N)cc1 ZINC000738527831 600502637 /nfs/dbraw/zinc/50/26/37/600502637.db2.gz FRSHIJIREPWQLR-CYBMUJFWSA-N -1 0 354.431 3.998 20 30 FHEDRM Cc1ccc([N+](=O)[O-])cc1C(=O)/C=C\c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000738663851 600516504 /nfs/dbraw/zinc/51/65/04/600516504.db2.gz AZYOXVCLRMYMFV-ALCCZGGFSA-N -1 0 369.373 3.880 20 30 FHEDRM C=CCc1cc(C(=O)N(CC)c2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000736115142 600523108 /nfs/dbraw/zinc/52/31/08/600523108.db2.gz VTHAJZTWSPLAEU-UHFFFAOYSA-N -1 0 369.417 3.797 20 30 FHEDRM N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(C(=O)[O-])cc3)c2)s1 ZINC000739098527 600528902 /nfs/dbraw/zinc/52/89/02/600528902.db2.gz HZPMJUBQHOPQKR-UHFFFAOYSA-N -1 0 362.410 3.915 20 30 FHEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000736545557 600543905 /nfs/dbraw/zinc/54/39/05/600543905.db2.gz SABCXJQYRCWDFZ-LLVKDONJSA-N -1 0 359.407 3.694 20 30 FHEDRM N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000263476471 600556905 /nfs/dbraw/zinc/55/69/05/600556905.db2.gz JJTXXHFMWUIXFV-UHFFFAOYSA-N -1 0 365.389 3.679 20 30 FHEDRM CN(Cc1ccccc1Br)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737491651 600562606 /nfs/dbraw/zinc/56/26/06/600562606.db2.gz DYEHHAAYBYLBJM-MRXNPFEDSA-N -1 0 359.223 3.578 20 30 FHEDRM CC(C)C[C@@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736426045 600574529 /nfs/dbraw/zinc/57/45/29/600574529.db2.gz NBFZYHCZIRCCBJ-LJQANCHMSA-N -1 0 367.401 3.793 20 30 FHEDRM C[C@@H](CN(C)C(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000736574723 600594325 /nfs/dbraw/zinc/59/43/25/600594325.db2.gz HACMVJGGEHPJGE-ZDUSSCGKSA-N -1 0 354.431 3.502 20 30 FHEDRM C[C@@H]1CCc2c(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)csc2C1 ZINC000736803114 600602722 /nfs/dbraw/zinc/60/27/22/600602722.db2.gz SHHBJWLGKPRXKW-DIFFPNOSSA-N -1 0 355.415 3.727 20 30 FHEDRM CCCCNc1ccccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736999247 600603371 /nfs/dbraw/zinc/60/33/71/600603371.db2.gz VBOWIZZOQQJKFX-SFHVURJKSA-N -1 0 352.390 3.753 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)CSc2ccccc2Cl)C(=O)[O-])cc1 ZINC000739114437 600603619 /nfs/dbraw/zinc/60/36/19/600603619.db2.gz GVKSMBSNVFWUTJ-INIZCTEOSA-N -1 0 361.806 3.673 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000739113601 600605213 /nfs/dbraw/zinc/60/52/13/600605213.db2.gz ALOMYDCGOXSANJ-MRXNPFEDSA-N -1 0 364.184 3.777 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C(=O)[O-])cc1 ZINC000739116029 600605241 /nfs/dbraw/zinc/60/52/41/600605241.db2.gz XTPIQEHQRVUCPW-FQEVSTJZSA-N -1 0 374.396 3.901 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000739114057 600605246 /nfs/dbraw/zinc/60/52/46/600605246.db2.gz FSUZDKUTFGVNGK-AWEZNQCLSA-N -1 0 350.157 3.848 20 30 FHEDRM Cc1cc(C)c2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)sc2n1 ZINC000738358313 600608579 /nfs/dbraw/zinc/60/85/79/600608579.db2.gz TXJHNHQXUIJDQP-MRXNPFEDSA-N -1 0 366.398 3.768 20 30 FHEDRM Cc1ccc(C(=O)CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC000738504223 600608797 /nfs/dbraw/zinc/60/87/97/600608797.db2.gz UZZUDDOMHRTBIX-FQEVSTJZSA-N -1 0 365.385 3.507 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)[O-])cc1 ZINC000739113705 600609918 /nfs/dbraw/zinc/60/99/18/600609918.db2.gz BANSHOQVTICDRN-INIZCTEOSA-N -1 0 354.749 3.676 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)c2[nH]c3ccccc3c2Cl)C(=O)[O-])cc1 ZINC000739113957 600611338 /nfs/dbraw/zinc/61/13/38/600611338.db2.gz CZAKMXBSJDCEQH-MRXNPFEDSA-N -1 0 354.749 3.676 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C(=O)[O-])cc1 ZINC000739109472 600613031 /nfs/dbraw/zinc/61/30/31/600613031.db2.gz LLESBAZVMRXMLM-MCIONIFRSA-N -1 0 355.312 3.596 20 30 FHEDRM COc1ccc2oc(C)c(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c2c1 ZINC000738078274 600613039 /nfs/dbraw/zinc/61/30/39/600613039.db2.gz BWUMIUPORLOIQG-GOSISDBHSA-N -1 0 365.341 3.604 20 30 FHEDRM CCCCN(C)c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736992918 600614660 /nfs/dbraw/zinc/61/46/60/600614660.db2.gz PYBHHSXDJMGXTR-IBGZPJMESA-N -1 0 366.417 3.777 20 30 FHEDRM COc1ccccc1C[C@H](C)CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738126497 600617604 /nfs/dbraw/zinc/61/76/04/600617604.db2.gz WFLBMJPKHBTTIW-XOBRGWDASA-N -1 0 367.401 3.505 20 30 FHEDRM N#Cc1ccc(NC(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000739120630 600652663 /nfs/dbraw/zinc/65/26/63/600652663.db2.gz BHOOEZVZSXFWKK-GOSISDBHSA-N -1 0 373.412 3.776 20 30 FHEDRM N#Cc1ccc(CC(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000833071568 600655890 /nfs/dbraw/zinc/65/58/90/600655890.db2.gz HEFPMIPIYGZCCV-INIZCTEOSA-N -1 0 364.184 3.777 20 30 FHEDRM COc1cc(C#N)ccc1OCCSc1nc2ccc(C(=O)[O-])cc2o1 ZINC000737843913 600688056 /nfs/dbraw/zinc/68/80/56/600688056.db2.gz AYFQOHISWPGUFV-UHFFFAOYSA-N -1 0 370.386 3.577 20 30 FHEDRM O=C([O-])N1CCC(N=Nc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000833278875 600724654 /nfs/dbraw/zinc/72/46/54/600724654.db2.gz CTZDIODLSPHEJB-UHFFFAOYSA-N -1 0 358.345 3.857 20 30 FHEDRM C[C@@H](Nc1ccc(NC(=O)[O-])cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000827773619 600740574 /nfs/dbraw/zinc/74/05/74/600740574.db2.gz SQPUHVIFKXHJNL-CQSZACIVSA-N -1 0 352.394 3.524 20 30 FHEDRM N#Cc1ccc(-c2nnc(COc3cc(Cl)ccc3C(=O)[O-])o2)cc1 ZINC000833070613 600802182 /nfs/dbraw/zinc/80/21/82/600802182.db2.gz OKVQOTYECDYTTF-UHFFFAOYSA-N -1 0 355.737 3.539 20 30 FHEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1c(C#N)cnc2ccccc21 ZINC000828496099 600811782 /nfs/dbraw/zinc/81/17/82/600811782.db2.gz ZYUSOTUHLLGUTA-HNNXBMFYSA-N -1 0 372.428 3.520 20 30 FHEDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 ZINC000679389805 600879745 /nfs/dbraw/zinc/87/97/45/600879745.db2.gz OXSQLSUZXMEETO-JKSUJKDBSA-N -1 0 353.443 3.977 20 30 FHEDRM O=C([O-])c1ccc(C=NNc2c(F)cc(F)cc2Br)cc1 ZINC000740123285 600947215 /nfs/dbraw/zinc/94/72/15/600947215.db2.gz KHWHOAJCYVZIPQ-UHFFFAOYSA-N -1 0 355.138 3.872 20 30 FHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1cc(F)ccc1F ZINC000825702699 600967069 /nfs/dbraw/zinc/96/70/69/600967069.db2.gz VTAHSXFAHUYCAK-UHFFFAOYSA-N -1 0 362.328 3.548 20 30 FHEDRM COc1ccc2c(c1)C(=O)/C(=C/c1cc(C)c(OCC(=O)[O-])c(C)c1)CC2 ZINC000738074894 600982997 /nfs/dbraw/zinc/98/29/97/600982997.db2.gz TUMRYPBRUIPXSE-LICLKQGHSA-N -1 0 366.413 3.988 20 30 FHEDRM C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000825687834 601139432 /nfs/dbraw/zinc/13/94/32/601139432.db2.gz YRNLQDLYYGISPI-UHFFFAOYSA-N -1 0 368.393 3.645 20 30 FHEDRM CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000829431128 601236094 /nfs/dbraw/zinc/23/60/94/601236094.db2.gz VGAYJGHPXQCIIO-XYJFISCASA-N -1 0 370.449 3.568 20 30 FHEDRM N#Cc1cccc([C@@H](Nc2ccc(OCC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000833076384 601299979 /nfs/dbraw/zinc/29/99/79/601299979.db2.gz UTNSROBBFXOSRW-OAHLLOKOSA-N -1 0 350.296 3.737 20 30 FHEDRM N#Cc1cccc([C@@H](Nc2cccc(OCC(F)(F)F)c2)C(=O)[O-])c1 ZINC000833076478 601301395 /nfs/dbraw/zinc/30/13/95/601301395.db2.gz VSZRBOXVTQUYJE-OAHLLOKOSA-N -1 0 350.296 3.737 20 30 FHEDRM CN(Cc1ccccc1Br)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830856417 601309496 /nfs/dbraw/zinc/30/94/96/601309496.db2.gz LPVWBDGBZGHSCM-MRXNPFEDSA-N -1 0 359.223 3.578 20 30 FHEDRM COc1cc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)ccc1SC(F)F ZINC000831860803 601331731 /nfs/dbraw/zinc/33/17/31/601331731.db2.gz CRHJMMDOXVBHPW-XQRVVYSFSA-N -1 0 353.346 3.932 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2c3c(nc4ccccc42)CCC3)C(=O)[O-])c1 ZINC000833077429 601344588 /nfs/dbraw/zinc/34/45/88/601344588.db2.gz SCEAYUADJZPZSP-HXUWFJFHSA-N -1 0 372.380 3.578 20 30 FHEDRM Cc1cc(C)c2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)sc2n1 ZINC000832874100 601346724 /nfs/dbraw/zinc/34/67/24/601346724.db2.gz FEXPIWGJGPSHLL-INIZCTEOSA-N -1 0 366.398 3.768 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)Cn2ccc3ccc(Cl)cc32)C(=O)[O-])c1 ZINC000833075505 601350618 /nfs/dbraw/zinc/35/06/18/601350618.db2.gz BXBKOAHQSMSRCV-GOSISDBHSA-N -1 0 368.776 3.535 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(F)c(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000833077653 601351471 /nfs/dbraw/zinc/35/14/71/601351471.db2.gz YKZKFUXVZCPJRI-CQSZACIVSA-N -1 0 367.254 3.699 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2c[nH]c3cc(Cl)ccc32)C(=O)[O-])c1 ZINC000833077451 601351515 /nfs/dbraw/zinc/35/15/15/601351515.db2.gz SUYTVEWEXLDHKU-MRXNPFEDSA-N -1 0 354.749 3.676 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(N3CCCCC3)cc2)C(=O)[O-])c1 ZINC000833077439 601356120 /nfs/dbraw/zinc/35/61/20/601356120.db2.gz SLUFKCSAPHJIKL-LJQANCHMSA-N -1 0 364.401 3.531 20 30 FHEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCOc1cccc(C(=O)[O-])c1 ZINC000833065054 601429892 /nfs/dbraw/zinc/42/98/92/601429892.db2.gz QVEDCFTZSVLAMU-PMACEKPBSA-N -1 0 350.418 3.535 20 30 FHEDRM CC[C@@](C)(NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000828693615 601450024 /nfs/dbraw/zinc/45/00/24/601450024.db2.gz YSIMUMGQDNITMQ-LJQANCHMSA-N -1 0 354.431 3.693 20 30 FHEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 ZINC000826039135 601603307 /nfs/dbraw/zinc/60/33/07/601603307.db2.gz NMWUFRXYYCLKQN-GUYCJALGSA-N -1 0 368.437 3.698 20 30 FHEDRM Cc1cc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2C)cc(C)c1OCC(=O)[O-] ZINC000832881180 601613299 /nfs/dbraw/zinc/61/32/99/601613299.db2.gz LCELNPJAVGMBFW-BQYQJAHWSA-N -1 0 369.373 3.880 20 30 FHEDRM 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C=CCc1cc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc(OC)c1OC ZINC000825702696 600699988 /nfs/dbraw/zinc/69/99/88/600699988.db2.gz VHBYUBLKAIINAX-UHFFFAOYSA-N -1 0 366.373 3.848 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C(=O)[O-])cc1 ZINC000833070860 600737880 /nfs/dbraw/zinc/73/78/80/600737880.db2.gz BFUWHWQOBDNHTL-CNNODRBYSA-N -1 0 361.397 3.521 20 30 FHEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Nc2ccc(NC(=O)[O-])cc2)cc1 ZINC000832935907 600741027 /nfs/dbraw/zinc/74/10/27/600741027.db2.gz SSAWNLVFQJRWMO-OAHLLOKOSA-N -1 0 366.421 3.832 20 30 FHEDRM O=C([O-])c1occc1/C=C1/COc2c(F)cc(Br)cc2C1=O ZINC000740306524 600817138 /nfs/dbraw/zinc/81/71/38/600817138.db2.gz BOEQSHYGPJTTEO-BAQGIRSFSA-N -1 0 367.126 3.538 20 30 FHEDRM C=CCn1c(S[C@@H](C(=O)[O-])c2ccccc2F)nnc1-c1ccco1 ZINC000825710842 600835931 /nfs/dbraw/zinc/83/59/31/600835931.db2.gz DBKCVRDTUGPMLG-CQSZACIVSA-N -1 0 359.382 3.781 20 30 FHEDRM CC(C)C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)C(=O)[O-] ZINC000736409324 600927001 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COc1ccc2c(c1)C(=O)/C(=C/c1cc(C)c(OCC(=O)[O-])c(C)c1)C2 ZINC000832486895 601294237 /nfs/dbraw/zinc/29/42/37/601294237.db2.gz CMRHKUMIMWKBPS-LZYBPNLTSA-N -1 0 352.386 3.598 20 30 FHEDRM N#Cc1cccc([C@@H](Nc2cccc(NC(=O)c3ccoc3)c2)C(=O)[O-])c1 ZINC000833076330 601303645 /nfs/dbraw/zinc/30/36/45/601303645.db2.gz UHDBMKVEMSFCKW-GOSISDBHSA-N -1 0 361.357 3.641 20 30 FHEDRM Cc1cc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC1CCOCC1 ZINC000832897007 601306033 /nfs/dbraw/zinc/30/60/33/601306033.db2.gz KJFFFHKRSFFUED-FQEVSTJZSA-N -1 0 366.417 3.662 20 30 FHEDRM CC[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000828983607 601306738 /nfs/dbraw/zinc/30/67/38/601306738.db2.gz YBCWMSIQXMEXRB-AAEUAGOBSA-N -1 0 369.368 3.900 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)C(=O)[O-])c1 ZINC000833076401 601349565 /nfs/dbraw/zinc/34/95/65/601349565.db2.gz VAOZBJCJKLIQNB-IHRRRGAJSA-N -1 0 355.312 3.596 20 30 FHEDRM Cc1cc(Br)ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832858444 601350234 /nfs/dbraw/zinc/35/02/34/601350234.db2.gz IIGHMXAKPXVGBL-OAHLLOKOSA-N -1 0 374.190 3.612 20 30 FHEDRM COc1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cc1C(=O)[O-] ZINC000832356654 601350444 /nfs/dbraw/zinc/35/04/44/601350444.db2.gz HILQPYRUJSEZEH-UHFFFAOYSA-N -1 0 350.296 3.896 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)C(=O)[O-])c1 ZINC000833074678 601351100 /nfs/dbraw/zinc/35/11/00/601351100.db2.gz DEEAQUAHBIWYLP-ZACQAIPSSA-N -1 0 355.777 3.684 20 30 FHEDRM Cc1cc(OC(F)F)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000832898777 601353848 /nfs/dbraw/zinc/35/38/48/601353848.db2.gz BWURRNVGLJGQHH-GFCCVEGCSA-N -1 0 367.329 3.512 20 30 FHEDRM Cc1ccc(Br)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832910392 601354694 /nfs/dbraw/zinc/35/46/94/601354694.db2.gz GEGQAGRZWZLIBH-HNNXBMFYSA-N -1 0 374.190 3.612 20 30 FHEDRM Cc1cccc2c(CCC(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c[nH]c21 ZINC000832976406 601354869 /nfs/dbraw/zinc/35/48/69/601354869.db2.gz VBXCREDBLSDDFW-FQEVSTJZSA-N -1 0 362.385 3.650 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Oc3ccccc3)o2)C(=O)[O-])c1 ZINC000833077282 601356088 /nfs/dbraw/zinc/35/60/88/601356088.db2.gz OKAIQHLVXGNNDU-GOSISDBHSA-N -1 0 363.325 3.926 20 30 FHEDRM CCCN(CC(=O)[O-])C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000829468715 601450021 /nfs/dbraw/zinc/45/00/21/601450021.db2.gz XNRLSUSSNNAYBF-UHFFFAOYSA-N -1 0 354.431 3.646 20 30 FHEDRM CC[C@](C)(NC(=O)c1ccc(Sc2ccccc2C#N)cc1)C(=O)[O-] ZINC000828693613 601450043 /nfs/dbraw/zinc/45/00/43/601450043.db2.gz YSIMUMGQDNITMQ-IBGZPJMESA-N -1 0 354.431 3.693 20 30 FHEDRM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000828645096 601460877 /nfs/dbraw/zinc/46/08/77/601460877.db2.gz GNWJTRFURJWVDJ-OAQYLSRUSA-N -1 0 366.417 3.510 20 30 FHEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000827811518 601462590 /nfs/dbraw/zinc/46/25/90/601462590.db2.gz VHDMZAYMCVVLSY-PXAZEXFGSA-N -1 0 357.362 3.557 20 30 FHEDRM CC[C@@H](C)Oc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000828764115 601473533 /nfs/dbraw/zinc/47/35/33/601473533.db2.gz FTPXPNXTRZKVAV-ACJLOTCBSA-N -1 0 353.374 3.718 20 30 FHEDRM N#Cc1ccccc1Sc1ccccc1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000833076399 601529484 /nfs/dbraw/zinc/52/94/84/601529484.db2.gz DKGIUYQSTJGJKA-INIZCTEOSA-N -1 0 366.442 3.693 20 30 FHEDRM CN(C(=O)c1cc(C#N)cs1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830523662 601537570 /nfs/dbraw/zinc/53/75/70/601537570.db2.gz OMXQFXOGISOPSH-CYBMUJFWSA-N -1 0 369.229 3.824 20 30 FHEDRM C=CCOc1cccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000825702645 601620807 /nfs/dbraw/zinc/62/08/07/601620807.db2.gz QYAJPOGYQNPHHM-KSSFIOAISA-N -1 0 354.406 3.835 20 30 FHEDRM C=CCn1c(SCc2ccc(C(=O)[O-])c(F)c2)nnc1-c1ccncc1 ZINC000825711100 601621868 /nfs/dbraw/zinc/62/18/68/601621868.db2.gz OMGOFRGHJCSQMR-UHFFFAOYSA-N -1 0 370.409 3.656 20 30 FHEDRM COc1cc(C=NOCc2ccc(C(=O)[O-])c(F)c2)ccc1OC(F)F ZINC000831975619 601628676 /nfs/dbraw/zinc/62/86/76/601628676.db2.gz GRJYPYCPLFJSBR-UHFFFAOYSA-N -1 0 369.295 3.685 20 30 FHEDRM Cc1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1C(=O)[O-] ZINC000832895452 601713539 /nfs/dbraw/zinc/71/35/39/601713539.db2.gz WNRWEDNXLVQQIZ-RTBURBONSA-N -1 0 363.417 3.997 20 30 FHEDRM O=C([O-])c1cc(/C=C2/CSc3ccc(Br)cc3C2=O)c[nH]1 ZINC000833298036 601793467 /nfs/dbraw/zinc/79/34/67/601793467.db2.gz MLUIGNYSDLILLH-OQFOIZHKSA-N -1 0 364.220 3.847 20 30 FHEDRM O=C([O-])c1cc(/C=C2/CCOc3c(Br)cccc3C2=O)c[nH]1 ZINC000833297588 601793549 /nfs/dbraw/zinc/79/35/49/601793549.db2.gz HDWYUYMKIDZSMP-POHAHGRESA-N -1 0 362.179 3.524 20 30 FHEDRM N#Cc1ccc(SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c(Cl)c1 ZINC000833073820 601817876 /nfs/dbraw/zinc/81/78/76/601817876.db2.gz INLMBFAGMYEEER-UHFFFAOYSA-N -1 0 371.805 3.851 20 30 FHEDRM Cc1cc(N2CCC(CCC(=O)[O-])CC2)n2c3ccccc3nc2c1C#N ZINC000832888486 601830483 /nfs/dbraw/zinc/83/04/83/601830483.db2.gz HWQZFQLBOCANSR-UHFFFAOYSA-N -1 0 362.433 3.749 20 30 FHEDRM COc1cccc2c1C/C(=C/c1cc(C)c(OCC(=O)[O-])c(C)c1)C2=O ZINC000832572471 601851812 /nfs/dbraw/zinc/85/18/12/601851812.db2.gz DNUUAIVUBJCXRM-DHDCSXOGSA-N -1 0 352.386 3.598 20 30 FHEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000826528378 601885160 /nfs/dbraw/zinc/88/51/60/601885160.db2.gz YVNIBOPRLZLVSJ-LSDHHAIUSA-N -1 0 360.458 3.660 20 30 FHEDRM Cc1cccc(N(CCC#N)C(=O)CNc2cc(C(=O)[O-])ccc2C)c1C ZINC000832915682 601901888 /nfs/dbraw/zinc/90/18/88/601901888.db2.gz MUJREHFYFPBLNV-UHFFFAOYSA-N -1 0 365.433 3.669 20 30 FHEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc(NC(=O)[O-])c2)c1 ZINC000832876309 601908092 /nfs/dbraw/zinc/90/80/92/601908092.db2.gz ITXCJHLQLMOZLE-UHFFFAOYSA-N -1 0 366.421 3.752 20 30 FHEDRM Cc1ccc(N(CCC#N)C(=O)CNc2cccc(C(=O)[O-])c2C)cc1C ZINC000832934117 601908296 /nfs/dbraw/zinc/90/82/96/601908296.db2.gz ANSWCRWDEQODFE-UHFFFAOYSA-N -1 0 365.433 3.669 20 30 FHEDRM COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O[C@H](C)C(=O)[O-])cc1)CCO2 ZINC000794702300 601951503 /nfs/dbraw/zinc/95/15/03/601951503.db2.gz NHTKLVAXBBYAOG-WDGDVPDHSA-N -1 0 368.385 3.596 20 30 FHEDRM CSc1nc(C2CC2)cc(C(=O)OCc2ccc(C(=O)[O-])s2)c1C#N ZINC000832794210 602002430 /nfs/dbraw/zinc/00/24/30/602002430.db2.gz FLKHDGLYAZMDGM-UHFFFAOYSA-N -1 0 374.443 3.669 20 30 FHEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000737643678 602095552 /nfs/dbraw/zinc/09/55/52/602095552.db2.gz BRFLUTSFMAWJNH-UHFFFAOYSA-N -1 0 353.378 3.617 20 30 FHEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc(-n3cccn3)cc2)cc1)C(=O)[O-] ZINC000794700598 602108107 /nfs/dbraw/zinc/10/81/07/602108107.db2.gz QRXFEOKBRJUBIO-LYOQKUPSSA-N -1 0 362.385 3.620 20 30 FHEDRM COc1cc(C)cc2c1OC/C(=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000794698417 602109045 /nfs/dbraw/zinc/10/90/45/602109045.db2.gz JTJIHGXYHKXQEM-LERPTODRSA-N -1 0 368.385 3.514 20 30 FHEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2c(Cl)nc3ccccn32)cc1)C(=O)[O-] ZINC000794704079 602110632 /nfs/dbraw/zinc/11/06/32/602110632.db2.gz YLTLZYBIPZXAMK-PMDBQALLSA-N -1 0 370.792 3.736 20 30 FHEDRM Cc1c(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000832849119 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3.510 20 30 FHEDRM CC(C)C[C@H](OC(=O)c1cccc(COc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736426043 600574423 /nfs/dbraw/zinc/57/44/23/600574423.db2.gz NBFZYHCZIRCCBJ-IBGZPJMESA-N -1 0 367.401 3.793 20 30 FHEDRM C[C@H](CN(C)C(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC000736574722 600594277 /nfs/dbraw/zinc/59/42/77/600594277.db2.gz HACMVJGGEHPJGE-CYBMUJFWSA-N -1 0 354.431 3.502 20 30 FHEDRM N#Cc1ccc([C@H](Nc2ccc(OCC3CCOCC3)cc2)C(=O)[O-])cc1 ZINC000739111987 600599717 /nfs/dbraw/zinc/59/97/17/600599717.db2.gz XCLUTGRKZJEAOR-FQEVSTJZSA-N -1 0 366.417 3.601 20 30 FHEDRM N#Cc1ccc([C@H](Nc2ccc(OCCc3ccccc3)nc2)C(=O)[O-])cc1 ZINC000739109909 600599748 /nfs/dbraw/zinc/59/97/48/600599748.db2.gz OERBCPZYKLKJRM-NRFANRHFSA-N -1 0 373.412 3.813 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)CCC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000739111370 600605244 /nfs/dbraw/zinc/60/52/44/600605244.db2.gz VCCUJRRZXROEKQ-GOSISDBHSA-N -1 0 371.776 3.544 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)Cc2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000739116049 600605650 /nfs/dbraw/zinc/60/56/50/600605650.db2.gz YBTRYHBGOSCZCG-INIZCTEOSA-N -1 0 364.184 3.777 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3cc(F)ccc3s2)C(=O)[O-])cc1 ZINC000739114500 600606145 /nfs/dbraw/zinc/60/61/45/600606145.db2.gz HJEJQVORYMXLKR-MRXNPFEDSA-N -1 0 355.346 3.895 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(-c3ccc(F)cc3)o2)C(=O)[O-])cc1 ZINC000739114812 600606348 /nfs/dbraw/zinc/60/63/48/600606348.db2.gz KMYRDPACAGXSCR-GOSISDBHSA-N -1 0 365.316 3.940 20 30 FHEDRM Cc1c2cccc(F)c2oc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738293012 600608725 /nfs/dbraw/zinc/60/87/25/600608725.db2.gz VDGCTTGREIPUED-INIZCTEOSA-N -1 0 353.305 3.735 20 30 FHEDRM C=CCN1C(=O)N[C@H](c2ccc(-c3c(F)cccc3F)o2)C(C(=O)[O-])=C1C ZINC000736106782 600610970 /nfs/dbraw/zinc/61/09/70/600610970.db2.gz LHICXARBORZXLA-QGZVFWFLSA-N -1 0 374.343 3.836 20 30 FHEDRM C[C@H](SCc1ccccc1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736707891 600612437 /nfs/dbraw/zinc/61/24/37/600612437.db2.gz FVRZOMUTPVUGQW-GUYCJALGSA-N -1 0 355.415 3.549 20 30 FHEDRM Cc1ccc(Cl)c(O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738603991 600613086 /nfs/dbraw/zinc/61/30/86/600613086.db2.gz VCRVPXJSTCPGJU-YVEFUNNKSA-N -1 0 373.792 3.657 20 30 FHEDRM CC(C)c1ccc(OCCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736515562 600614671 /nfs/dbraw/zinc/61/46/71/600614671.db2.gz QUXCAZXVRQPYCR-HXUWFJFHSA-N -1 0 367.401 3.820 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)Cc2c[nH]c3ccc(Cl)cc23)C(=O)[O-])cc1 ZINC000739114917 600619626 /nfs/dbraw/zinc/61/96/26/600619626.db2.gz LMAQROHCHKKYGI-SFHVURJKSA-N -1 0 368.776 3.605 20 30 FHEDRM C[C@@H](CCc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827428178 600721880 /nfs/dbraw/zinc/72/18/80/600721880.db2.gz TXMXDNLKQFTDQF-UGSOOPFHSA-N -1 0 355.365 3.635 20 30 FHEDRM Cc1nc(C2CCCC2)sc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832996913 600726056 /nfs/dbraw/zinc/72/60/56/600726056.db2.gz IXUWXOPKWOIDOQ-OAHLLOKOSA-N -1 0 370.430 3.964 20 30 FHEDRM Cc1nc(C2CCCC2)sc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832996912 600726201 /nfs/dbraw/zinc/72/62/01/600726201.db2.gz IXUWXOPKWOIDOQ-HNNXBMFYSA-N -1 0 370.430 3.964 20 30 FHEDRM CCCC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1Cc1ccccc1 ZINC000829245911 600781537 /nfs/dbraw/zinc/78/15/37/600781537.db2.gz SAVSLIBSBYYIRA-SFHVURJKSA-N -1 0 365.389 3.557 20 30 FHEDRM CCCC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1Cc1ccccc1 ZINC000829245910 600781555 /nfs/dbraw/zinc/78/15/55/600781555.db2.gz SAVSLIBSBYYIRA-GOSISDBHSA-N -1 0 365.389 3.557 20 30 FHEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccc2cnccc21 ZINC000825702338 600806834 /nfs/dbraw/zinc/80/68/34/600806834.db2.gz KQWNNLGTSLQBIS-UHFFFAOYSA-N -1 0 363.369 3.889 20 30 FHEDRM C#CCOc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)cc1 ZINC000736088698 600839028 /nfs/dbraw/zinc/83/90/28/600839028.db2.gz BIKXLDOZGSFUAA-UHFFFAOYSA-N -1 0 369.442 3.659 20 30 FHEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000825636062 600945064 /nfs/dbraw/zinc/94/50/64/600945064.db2.gz AXXWJMGWEORQCW-IRXDYDNUSA-N -1 0 351.402 3.685 20 30 FHEDRM N#CCOc1ccc(Cl)cc1CN1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000739088266 600963953 /nfs/dbraw/zinc/96/39/53/600963953.db2.gz QHSCMFNHAZYHAT-ZDUSSCGKSA-N -1 0 356.809 3.821 20 30 FHEDRM N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)c2)s1 ZINC000833071071 600965463 /nfs/dbraw/zinc/96/54/63/600965463.db2.gz VQWIPZIENGRGNT-CVEARBPZSA-N -1 0 368.458 3.794 20 30 FHEDRM CCOc1ccc(C#N)cc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830059910 601030349 /nfs/dbraw/zinc/03/03/49/601030349.db2.gz RHKKNBCIRVEWFA-UHFFFAOYSA-N -1 0 367.405 3.963 20 30 FHEDRM N#Cc1ccccc1N(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833075628 601149894 /nfs/dbraw/zinc/14/98/94/601149894.db2.gz UVTVHDLQTAAPTK-ZWKOTPCHSA-N -1 0 362.429 3.982 20 30 FHEDRM Cc1ccc(Cl)cc1NC(=O)[C@H](C)ON=Cc1ccc(C(=O)[O-])cc1 ZINC000832935568 601221009 /nfs/dbraw/zinc/22/10/09/601221009.db2.gz SIMGTTFUMLSHQO-LBPRGKRZSA-N -1 0 360.797 3.724 20 30 FHEDRM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000828765078 601236274 /nfs/dbraw/zinc/23/62/74/601236274.db2.gz VDUJWAYGCIJUTI-OWIUFQIYSA-N -1 0 370.449 3.738 20 30 FHEDRM Cc1ccc(NC(=O)C(C)C)cc1N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832943355 601301348 /nfs/dbraw/zinc/30/13/48/601301348.db2.gz WMVQLSRVJRDVKE-SFHVURJKSA-N -1 0 351.406 3.699 20 30 FHEDRM CN(Cc1ccc(Br)s1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811134 601309547 /nfs/dbraw/zinc/30/95/47/601309547.db2.gz OFYRXTHZCJQZMC-AWEZNQCLSA-N -1 0 365.252 3.640 20 30 FHEDRM Cc1ccc(C)c(C(=O)CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832924485 601343408 /nfs/dbraw/zinc/34/34/08/601343408.db2.gz KTQQPWGATIIXJX-FQEVSTJZSA-N -1 0 365.385 3.507 20 30 FHEDRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832886657 601343466 /nfs/dbraw/zinc/34/34/66/601343466.db2.gz PVQLBGMPQVSMEP-YVEFUNNKSA-N -1 0 373.792 3.657 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Cl)nc3ccccc32)C(=O)[O-])c1 ZINC000833075770 601347049 /nfs/dbraw/zinc/34/70/49/601347049.db2.gz DMUVJEJFCWRXDE-KRWDZBQOSA-N -1 0 366.760 3.743 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)[O-])c1 ZINC000833075796 601347714 /nfs/dbraw/zinc/34/77/14/601347714.db2.gz DUKDLIYIQQPPEK-MRXNPFEDSA-N -1 0 354.749 3.676 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)[O-])c1 ZINC000833075795 601347843 /nfs/dbraw/zinc/34/78/43/601347843.db2.gz DUKDLIYIQQPPEK-INIZCTEOSA-N -1 0 354.749 3.676 20 30 FHEDRM Cc1ccc(-c2nc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cs2)o1 ZINC000832906990 601348518 /nfs/dbraw/zinc/34/85/18/601348518.db2.gz BZRTVRLZHMQIET-OAHLLOKOSA-N -1 0 368.370 3.566 20 30 FHEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)sc2nccc(C)c12 ZINC000832984616 601348831 /nfs/dbraw/zinc/34/88/31/601348831.db2.gz BACSBBXLGCLPGL-OAHLLOKOSA-N -1 0 366.398 3.768 20 30 FHEDRM Cc1cc(O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1Cl ZINC000832899237 601350372 /nfs/dbraw/zinc/35/03/72/601350372.db2.gz LDBPBDYOEZPSEA-SJKOYZFVSA-N -1 0 373.792 3.657 20 30 FHEDRM N#Cc1cccc([C@H](OC(=O)Cn2ccc3ccc(Cl)cc32)C(=O)[O-])c1 ZINC000833075506 601350712 /nfs/dbraw/zinc/35/07/12/601350712.db2.gz BXBKOAHQSMSRCV-SFHVURJKSA-N -1 0 368.776 3.535 20 30 FHEDRM Cc1nc(-c2ccco2)ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832993117 601352273 /nfs/dbraw/zinc/35/22/73/601352273.db2.gz KQFUSVCFXREMHO-GOSISDBHSA-N -1 0 362.341 3.504 20 30 FHEDRM Cn1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1-c1ccccc1 ZINC000833038238 601355040 /nfs/dbraw/zinc/35/50/40/601355040.db2.gz ABXKJCKXHYKHEL-LJQANCHMSA-N -1 0 360.369 3.546 20 30 FHEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1nc2ccccc2cc1C#N ZINC000828496098 601409902 /nfs/dbraw/zinc/40/99/02/601409902.db2.gz ZYMIQACXNRXZJP-OAHLLOKOSA-N -1 0 372.428 3.520 20 30 FHEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000833065074 601426850 /nfs/dbraw/zinc/42/68/50/601426850.db2.gz RFPCIKUGUJVWSK-VQTJNVASSA-N -1 0 362.429 3.616 20 30 FHEDRM N#Cc1ccc(C(=O)OCc2csc(-c3ccc(C(=O)[O-])cc3)n2)s1 ZINC000833071764 601469512 /nfs/dbraw/zinc/46/95/12/601469512.db2.gz KYVCNLIQVIFEOI-UHFFFAOYSA-N -1 0 370.411 3.798 20 30 FHEDRM C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2CC(=O)[O-])cc1OC ZINC000767067646 601614989 /nfs/dbraw/zinc/61/49/89/601614989.db2.gz NXRNRDFWFABMCI-LUAWRHEFSA-N -1 0 367.401 3.539 20 30 FHEDRM C=CCn1c(SCc2ccc(C(=O)[O-])c(F)c2)nnc1-c1ccco1 ZINC000825711287 601621886 /nfs/dbraw/zinc/62/18/86/601621886.db2.gz XQQPNNLCIDURFN-UHFFFAOYSA-N -1 0 359.382 3.854 20 30 FHEDRM Cc1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1C(=O)[O-] ZINC000832895449 601713480 /nfs/dbraw/zinc/71/34/80/601713480.db2.gz WNRWEDNXLVQQIZ-MOPGFXCFSA-N -1 0 363.417 3.997 20 30 FHEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000827217753 601722189 /nfs/dbraw/zinc/72/21/89/601722189.db2.gz ISFVUGZHRUNFPI-ZDUSSCGKSA-N -1 0 361.467 3.847 20 30 FHEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@H]1C(=O)[O-] ZINC000828376844 601784940 /nfs/dbraw/zinc/78/49/40/601784940.db2.gz FUBJABUIWJZHMY-CXAGYDPISA-N -1 0 365.389 3.535 20 30 FHEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H]1C(=O)[O-] ZINC000828376846 601784982 /nfs/dbraw/zinc/78/49/82/601784982.db2.gz FUBJABUIWJZHMY-DYVFJYSZSA-N -1 0 365.389 3.535 20 30 FHEDRM O=C([O-])CCC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000539684540 601820540 /nfs/dbraw/zinc/82/05/40/601820540.db2.gz JMXQUSBKKXCJDD-UHFFFAOYSA-N -1 0 361.441 3.803 20 30 FHEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000826528377 601882976 /nfs/dbraw/zinc/88/29/76/601882976.db2.gz YVNIBOPRLZLVSJ-HUUCEWRRSA-N -1 0 360.458 3.660 20 30 FHEDRM CC(C)C[C@@](C)(C#N)NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000826759851 601992082 /nfs/dbraw/zinc/99/20/82/601992082.db2.gz RSPZFRXOMXFKLM-HNNXBMFYSA-N -1 0 357.332 3.853 20 30 FHEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000832859528 602034502 /nfs/dbraw/zinc/03/45/02/602034502.db2.gz SGBGJUGLLFYIOF-NRFANRHFSA-N -1 0 364.401 3.596 20 30 FHEDRM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)c(C)n1-c1ccc(C#N)cc1 ZINC000738206990 602078485 /nfs/dbraw/zinc/07/84/85/602078485.db2.gz LNMKVLCGNVBLMF-UHFFFAOYSA-N -1 0 373.412 3.845 20 30 FHEDRM N#Cc1csc(C(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000833078691 602089263 /nfs/dbraw/zinc/08/92/63/602089263.db2.gz OIFFZPZHAFKAIS-GFCCVEGCSA-N -1 0 356.186 3.909 20 30 FHEDRM COc1ccc2c(c1)CC/C(=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1)C2=O ZINC000794697031 602106789 /nfs/dbraw/zinc/10/67/89/602106789.db2.gz XBKPAYISAAGBND-XDUBLRSXSA-N -1 0 352.386 3.760 20 30 FHEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2c(Cl)nc3ccccn32)cc1)C(=O)[O-] ZINC000794704081 602110615 /nfs/dbraw/zinc/11/06/15/602110615.db2.gz YLTLZYBIPZXAMK-UMAGTOLTSA-N -1 0 370.792 3.736 20 30 FHEDRM Cc1c(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000832849117 602113139 /nfs/dbraw/zinc/11/31/39/602113139.db2.gz XJNFUMWBBABBET-BIRHUZIMSA-N -1 0 355.346 3.651 20 30 FHEDRM Cc1cc(C(=O)N(C)c2cc(Cl)ccc2C#N)cc(C)c1OCC(=O)[O-] ZINC000832859350 602135254 /nfs/dbraw/zinc/13/52/54/602135254.db2.gz LJEGQPBMMCNTRT-UHFFFAOYSA-N -1 0 372.808 3.569 20 30 FHEDRM Cc1nc(SCC(=O)Nc2ccccc2NC(=O)[O-])c(C#N)c(C)c1C ZINC000740221404 602177855 /nfs/dbraw/zinc/17/78/55/602177855.db2.gz XYYNYMMZOOODSB-UHFFFAOYSA-N -1 0 370.434 3.699 20 30 FHEDRM C=CCn1c(Cc2ccccc2)nnc1SCC1CCN(C(=O)[O-])CC1 ZINC000738503573 602231695 /nfs/dbraw/zinc/23/16/95/602231695.db2.gz SKLZSZIROWVDOO-UHFFFAOYSA-N -1 0 372.494 3.537 20 30 FHEDRM C=CCn1c(SCc2cccc(C(=O)[O-])c2)nnc1-c1ccccn1 ZINC000825710960 602242981 /nfs/dbraw/zinc/24/29/81/602242981.db2.gz IZIKMJYMKWEVKL-UHFFFAOYSA-N -1 0 352.419 3.517 20 30 FHEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000833065229 602383307 /nfs/dbraw/zinc/38/33/07/602383307.db2.gz VYSONDQUGVJAFV-SJLPKXTDSA-N -1 0 367.380 3.828 20 30 FHEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CC1CCN(C(=O)[O-])CC1 ZINC000738599763 602647076 /nfs/dbraw/zinc/64/70/76/602647076.db2.gz FWPNKXAQDCRWNL-CYBMUJFWSA-N -1 0 361.467 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3.812 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)c2cc3ccc(F)cc3s2)C(=O)[O-])cc1 ZINC000739113793 600609310 /nfs/dbraw/zinc/60/93/10/600609310.db2.gz BNCHETAMGSJYIO-MRXNPFEDSA-N -1 0 355.346 3.895 20 30 FHEDRM N#Cc1ccc([C@H](OC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)C(=O)[O-])cc1 ZINC000739109475 600613006 /nfs/dbraw/zinc/61/30/06/600613006.db2.gz LLESBAZVMRXMLM-MJBXVCDLSA-N -1 0 355.312 3.596 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)Cn2ccc3ccc(Cl)cc32)C(=O)[O-])cc1 ZINC000739114455 600614473 /nfs/dbraw/zinc/61/44/73/600614473.db2.gz GXDVNRYPVHVFNH-GOSISDBHSA-N -1 0 368.776 3.535 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)c2c[nH]c3cc(Cl)ccc32)C(=O)[O-])cc1 ZINC000739115853 600615262 /nfs/dbraw/zinc/61/52/62/600615262.db2.gz VQLPQNOWLYPICK-MRXNPFEDSA-N -1 0 354.749 3.676 20 30 FHEDRM CC(C)COc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736445103 600617279 /nfs/dbraw/zinc/61/72/79/600617279.db2.gz ATWHCLRJTLRDFX-HXUWFJFHSA-N -1 0 367.401 3.505 20 30 FHEDRM Cc1cccc(C[C@H](CNc2nc(C(F)(F)F)ccc2C#N)C(=O)[O-])c1 ZINC000738707583 600624150 /nfs/dbraw/zinc/62/41/50/600624150.db2.gz NMMJDBZKEXGOKD-CQSZACIVSA-N -1 0 363.339 3.636 20 30 FHEDRM N#Cc1cccc(NC(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000739133421 600652610 /nfs/dbraw/zinc/65/26/10/600652610.db2.gz GUSALJQAPGYYNO-SFHVURJKSA-N -1 0 373.412 3.776 20 30 FHEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(Cl)cc3cccnc32)C(=O)[O-])cc1 ZINC000833071893 600669441 /nfs/dbraw/zinc/66/94/41/600669441.db2.gz JLOQGERMVKKNFT-QGZVFWFLSA-N -1 0 366.760 3.743 20 30 FHEDRM CC(=NN=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)c1cnccn1 ZINC000825798529 600689688 /nfs/dbraw/zinc/68/96/88/600689688.db2.gz NWNQTINNSXTUSX-UHFFFAOYSA-N -1 0 374.400 3.597 20 30 FHEDRM C=CCOc1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1OC ZINC000825698811 600696420 /nfs/dbraw/zinc/69/64/20/600696420.db2.gz LEJWXRCOJZYIIJ-UHFFFAOYSA-N -1 0 352.346 3.675 20 30 FHEDRM C[C@H](CCc1ccccc1F)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827428170 600721849 /nfs/dbraw/zinc/72/18/49/600721849.db2.gz TXMXDNLKQFTDQF-ACJLOTCBSA-N 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CC(C)C[C@@H](CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC000736410294 600925828 /nfs/dbraw/zinc/92/58/28/600925828.db2.gz YCRDKNXHYWTWMJ-KRWDZBQOSA-N -1 0 366.417 3.827 20 30 FHEDRM CCC(CC)(NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)C(=O)[O-] ZINC000828842007 600929200 /nfs/dbraw/zinc/92/92/00/600929200.db2.gz LJIMJMMRDUAVKQ-UHFFFAOYSA-N -1 0 370.380 3.863 20 30 FHEDRM N#Cc1ccccc1SCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739142497 600935518 /nfs/dbraw/zinc/93/55/18/600935518.db2.gz NMZVOMYTSAOTNB-UHFFFAOYSA-N -1 0 372.471 3.928 20 30 FHEDRM N#C[C@H](NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1c(Cl)cccc1Cl ZINC000833063385 600939241 /nfs/dbraw/zinc/93/92/41/600939241.db2.gz JIDKNCMMUJWZNB-BREBYQMCSA-N -1 0 355.221 3.565 20 30 FHEDRM N#C[C@H](NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC000833064614 600944592 /nfs/dbraw/zinc/94/45/92/600944592.db2.gz SZARTGZPXPDWRD-SUNKGSAMSA-N -1 0 355.221 3.565 20 30 FHEDRM Cc1c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cnn1-c1ccc(C#N)cc1 ZINC000738253934 600982912 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370.449 3.738 20 30 FHEDRM N#CC(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000833064408 601237037 /nfs/dbraw/zinc/23/70/37/601237037.db2.gz RRECDWRPVPNHSW-RBSFLKMASA-N -1 0 354.431 3.877 20 30 FHEDRM N#Cc1cccc([C@H](Nc2cccc(OCc3cccnc3)c2)C(=O)[O-])c1 ZINC000833076832 601302437 /nfs/dbraw/zinc/30/24/37/601302437.db2.gz ZXSCJYYJTLKWSK-FQEVSTJZSA-N -1 0 359.385 3.770 20 30 FHEDRM Cc1ccc(Oc2ccc(N[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)nn1 ZINC000832953396 601306159 /nfs/dbraw/zinc/30/61/59/601306159.db2.gz KQUQAUBGWGJULO-LJQANCHMSA-N -1 0 360.373 3.687 20 30 FHEDRM C=CCOc1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000825702332 601310026 /nfs/dbraw/zinc/31/00/26/601310026.db2.gz KKOLUIHDOLAKFD-KRWDZBQOSA-N -1 0 358.369 3.728 20 30 FHEDRM CN(Cc1cc(Br)cs1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830806820 601311406 /nfs/dbraw/zinc/31/14/06/601311406.db2.gz VKGAZIFUGUCWDG-CQSZACIVSA-N -1 0 365.252 3.640 20 30 FHEDRM CN(Cc1csc(Br)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830869911 601312470 /nfs/dbraw/zinc/31/24/70/601312470.db2.gz RGCQOCNTOWTVFN-CQSZACIVSA-N -1 0 365.252 3.640 20 30 FHEDRM Cc1cc(Cl)ccc1O[C@H](C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832886655 601343447 /nfs/dbraw/zinc/34/34/47/601343447.db2.gz PVQLBGMPQVSMEP-SJKOYZFVSA-N -1 0 373.792 3.657 20 30 FHEDRM CC[C@H](C)c1ccccc1OCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828770846 601345825 /nfs/dbraw/zinc/34/58/25/601345825.db2.gz VTULZEJYKSXZBA-XOBRGWDASA-N -1 0 367.401 3.820 20 30 FHEDRM CC(C)COc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000826905215 601346404 /nfs/dbraw/zinc/34/64/04/601346404.db2.gz GDTGSBMVXKAUHO-SFHVURJKSA-N -1 0 353.374 3.576 20 30 FHEDRM Cc1c2cc(F)ccc2oc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832853562 601347501 /nfs/dbraw/zinc/34/75/01/601347501.db2.gz KECJUDIEUXQGMP-QGZVFWFLSA-N -1 0 353.305 3.735 20 30 FHEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Oc3ccccc3)nc2)C(=O)[O-])c1 ZINC000833075688 601349608 /nfs/dbraw/zinc/34/96/08/601349608.db2.gz 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N#C[C@H](c1ccccc1)[C@H]1CCCN1CCOc1cccc(C(=O)[O-])c1 ZINC000833065057 601429946 /nfs/dbraw/zinc/42/99/46/601429946.db2.gz QVEDCFTZSVLAMU-WOJBJXKFSA-N -1 0 350.418 3.535 20 30 FHEDRM N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000819111459 601434950 /nfs/dbraw/zinc/43/49/50/601434950.db2.gz VFJFCBVHROKQPX-UHFFFAOYSA-N -1 0 366.442 3.646 20 30 FHEDRM N#Cc1ccccc1Sc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833076326 601437531 /nfs/dbraw/zinc/43/75/31/601437531.db2.gz BWAFBSJJGITXIV-INIZCTEOSA-N -1 0 366.442 3.646 20 30 FHEDRM C[C@@](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)(C(=O)[O-])C1CC1 ZINC000827702900 601451633 /nfs/dbraw/zinc/45/16/33/601451633.db2.gz CODXIKRKGWUWEZ-FQEVSTJZSA-N -1 0 366.442 3.693 20 30 FHEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccccc1 ZINC000826039134 601603382 /nfs/dbraw/zinc/60/33/82/601603382.db2.gz NMWUFRXYYCLKQN-DYVFJYSZSA-N -1 0 368.437 3.698 20 30 FHEDRM C[C@H](CC#N)N(C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000827214037 601617892 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365.263 3.742 20 30 FHEDRM C[C@@H](CSc1ccc(F)cc1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000827582119 601609931 /nfs/dbraw/zinc/60/99/31/601609931.db2.gz YTSMIKKQFGCZHW-YVEFUNNKSA-N -1 0 373.405 3.795 20 30 FHEDRM C[C@H](CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)[O-] ZINC000827493067 601621141 /nfs/dbraw/zinc/62/11/41/601621141.db2.gz KOTLEWPVVQTCSY-LLVKDONJSA-N -1 0 373.796 3.846 20 30 FHEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000830059979 601621195 /nfs/dbraw/zinc/62/11/95/601621195.db2.gz VIYLRRQOHWKUNB-FZKQIMNGSA-N -1 0 367.405 3.540 20 30 FHEDRM N#Cc1ccccc1/C=C/C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000833074998 601621780 /nfs/dbraw/zinc/62/17/80/601621780.db2.gz IKEOOFJUUISHCF-JEJOPICUSA-N -1 0 354.793 3.557 20 30 FHEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N3C[C@H]4CCC[C@@H]43)c2)c1 ZINC000833327235 601632908 /nfs/dbraw/zinc/63/29/08/601632908.db2.gz CFTBXSJTVGEUFB-QUCCMNQESA-N -1 0 360.413 3.801 20 30 FHEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1(C(=O)[O-])CCCC1 ZINC000825967028 601721498 /nfs/dbraw/zinc/72/14/98/601721498.db2.gz QKPISGJVWPAQTH-ZDUSSCGKSA-N -1 0 361.467 3.705 20 30 FHEDRM Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C(=O)[O-] ZINC000832946353 601731561 /nfs/dbraw/zinc/73/15/61/601731561.db2.gz UGXRIRDNRFQPAT-RTBURBONSA-N -1 0 363.417 3.997 20 30 FHEDRM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1C(=O)[O-] ZINC000828378032 601792334 /nfs/dbraw/zinc/79/23/34/601792334.db2.gz OAXLTWHLKVJCMS-FZKQIMNGSA-N -1 0 365.389 3.535 20 30 FHEDRM C[C@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1C(=O)[O-] ZINC000828378034 601792377 /nfs/dbraw/zinc/79/23/77/601792377.db2.gz OAXLTWHLKVJCMS-UGSOOPFHSA-N -1 0 365.389 3.535 20 30 FHEDRM COc1cc(C(=O)/C=C/c2c[nH]c(C(=O)[O-])c2)ccc1SC(F)F ZINC000831861236 601792842 /nfs/dbraw/zinc/79/28/42/601792842.db2.gz QUGXBMDIRYUHBI-DUXPYHPUSA-N -1 0 353.346 3.932 20 30 FHEDRM Cc1ccc2c(c1)OCC/C(=C/c1ccc(O[C@H](C)C(=O)[O-])cc1)C2=O ZINC000832960634 601952392 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0 355.346 3.651 20 30 FHEDRM COc1ccc2[nH]cc(C(=O)/C=C\c3ccc(O[C@@H](C)C(=O)[O-])cc3)c2c1 ZINC000794701110 602110633 /nfs/dbraw/zinc/11/06/33/602110633.db2.gz KZVIPCYMFCHHEX-PRFOUVDFSA-N -1 0 365.385 3.925 20 30 FHEDRM COc1cc(C)c(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000794707909 602110636 /nfs/dbraw/zinc/11/06/36/602110636.db2.gz OSSZQHCVGILGRE-JKEYDSJLSA-N -1 0 370.401 3.760 20 30 FHEDRM C#Cc1cccc(NC(=S)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC000825636392 602152069 /nfs/dbraw/zinc/15/20/69/602152069.db2.gz JDHYTIVQQNOMCE-KRWDZBQOSA-N -1 0 352.459 3.806 20 30 FHEDRM C[C@@H](CC(=O)[O-])C(=O)[C@@H](C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000827240770 602183201 /nfs/dbraw/zinc/18/32/01/602183201.db2.gz NQVCDQSRAMPZDE-UUTCFJAQSA-N -1 0 372.490 3.898 20 30 FHEDRM O=C([O-])c1ccc(COc2ccc(C=NOCC(F)(F)F)cc2)cc1 ZINC000833314598 602186236 /nfs/dbraw/zinc/18/62/36/602186236.db2.gz HQYWOQIQVGVBGC-UHFFFAOYSA-N -1 0 353.296 3.877 20 30 FHEDRM N#Cc1ccccc1-c1ccc(COC(=O)c2cnccc2C(=O)[O-])cc1 ZINC000833074918 602287908 /nfs/dbraw/zinc/28/79/08/602287908.db2.gz GGNYYZHQLGOYJP-UHFFFAOYSA-N -1 0 358.353 3.675 20 30 FHEDRM COc1ccc(NC(=O)c2cc3ccccc3n2CC#N)cc1NC(=O)[O-] ZINC000739923360 602459211 /nfs/dbraw/zinc/45/92/11/602459211.db2.gz HDFWPQAVUIHHJK-UHFFFAOYSA-N -1 0 364.361 3.516 20 30 FHEDRM CSc1nc(C2CC2)cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1C#N ZINC000740019450 602501448 /nfs/dbraw/zinc/50/14/48/602501448.db2.gz CPWYZPIDLZCTNR-UHFFFAOYSA-N -1 0 368.418 3.895 20 30 FHEDRM N#CCSc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)[O-])CC2 ZINC000740311185 602543388 /nfs/dbraw/zinc/54/33/88/602543388.db2.gz QOLRJHRQOFBRBG-UHFFFAOYSA-N -1 0 367.430 3.591 20 30 FHEDRM N#Cc1ccc(COC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000740314435 602657509 /nfs/dbraw/zinc/65/75/09/602657509.db2.gz DFPGXPVQTUOGJG-QGZVFWFLSA-N -1 0 356.353 3.530 20 30 FHEDRM N#Cc1ccc(F)c(COC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000740314020 602657524 /nfs/dbraw/zinc/65/75/24/602657524.db2.gz BZJCRAPGAPMNFW-QGZVFWFLSA-N -1 0 356.353 3.530 20 30 FHEDRM CC(C)(CCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)NC(=O)[O-] ZINC000738741150 602832503 /nfs/dbraw/zinc/83/25/03/602832503.db2.gz CSSIQWXEZWQKRZ-NSHDSACASA-N -1 0 358.225 3.501 20 30 FHEDRM CC(C)(CCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)NC(=O)[O-] ZINC000738741985 602834874 /nfs/dbraw/zinc/83/48/74/602834874.db2.gz HDDLTCDSQFHZSA-LLVKDONJSA-N -1 0 358.225 3.501 20 30 FHEDRM Cc1ccc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1NC(=O)[O-] ZINC000830230751 602839770 /nfs/dbraw/zinc/83/97/70/602839770.db2.gz PFGXXQBYDYWREG-UHFFFAOYSA-N -1 0 361.304 3.810 20 30 FHEDRM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823653801 602892073 /nfs/dbraw/zinc/89/20/73/602892073.db2.gz DWLCDDFCNMJITI-KSSFIOAISA-N -1 0 369.396 3.717 20 30 FHEDRM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)C[C@H](C)NC(=O)[O-] ZINC000830068303 602904486 /nfs/dbraw/zinc/90/44/86/602904486.db2.gz KPBVRBXRBFRIBI-AWEZNQCLSA-N -1 0 369.396 3.585 20 30 FHEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])cc2)cc1 ZINC000740321321 602972626 /nfs/dbraw/zinc/97/26/26/602972626.db2.gz GVYPLMJGVVFYAJ-ZWKOTPCHSA-N -1 0 365.389 3.725 20 30 FHEDRM CC(C)(CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1)NC(=O)[O-] ZINC000738734449 602992761 /nfs/dbraw/zinc/99/27/61/602992761.db2.gz IBQAKJVCCIHGJS-UHFFFAOYSA-N -1 0 353.378 3.725 20 30 FHEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[C@@H](NC(=O)[O-])C1 ZINC000738490382 603156053 /nfs/dbraw/zinc/15/60/53/603156053.db2.gz SPBCXLZUEJQFNA-NWDGAFQWSA-N -1 0 356.875 3.743 20 30 FHEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740091173 603230722 /nfs/dbraw/zinc/23/07/22/603230722.db2.gz LNZDGJXTSMSTKH-OAHLLOKOSA-N -1 0 365.389 3.597 20 30 FHEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823507111 603278149 /nfs/dbraw/zinc/27/81/49/603278149.db2.gz SMKUKUDPCXMIJT-YOEHRIQHSA-N -1 0 358.463 3.908 20 30 FHEDRM O=C([O-])NC[C@H]1CCCC1N=Nc1ncc(C(F)(F)F)cc1Cl ZINC000740620997 603318652 /nfs/dbraw/zinc/31/86/52/603318652.db2.gz UWMZHYSKXQVDLW-SSDOTTSWSA-N -1 0 350.728 3.589 20 30 FHEDRM C[C@@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])c1cccc(C#N)c1 ZINC000825171713 603329144 /nfs/dbraw/zinc/32/91/44/603329144.db2.gz NHDRQJUTKUZMEK-CYBMUJFWSA-N -1 0 352.394 3.551 20 30 FHEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccccc1CN(C)C(=O)[O-] ZINC000823463492 603329502 /nfs/dbraw/zinc/32/95/02/603329502.db2.gz QOKMOXYIHJJORS-UHFFFAOYSA-N -1 0 371.368 3.592 20 30 FHEDRM CCN(CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)C(=O)[O-] ZINC000739396451 603384218 /nfs/dbraw/zinc/38/42/18/603384218.db2.gz XSCNOKDOPOLDGF-UHFFFAOYSA-N -1 0 353.378 3.597 20 30 FHEDRM C=CCN(C(=O)[C@H]1CC[C@H](NC(=O)[O-])C1)c1nc(-c2ccccc2)cs1 ZINC000823500947 603525761 /nfs/dbraw/zinc/52/57/61/603525761.db2.gz NRXYNBIZDVPWFB-GJZGRUSLSA-N -1 0 371.462 3.765 20 30 FHEDRM N#Cc1cc(-c2ccccc2)sc1NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000831114344 603534368 /nfs/dbraw/zinc/53/43/68/603534368.db2.gz LIBKGIJWYQWBSZ-TZMCWYRMSA-N -1 0 355.419 3.662 20 30 FHEDRM CC(C)[C@H](CCN(C)C(=S)Nc1ccc(C#N)c(Cl)c1)NC(=O)[O-] ZINC000824098261 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