smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000583480304 834463620 /nfs/dbraw/zinc/46/36/20/834463620.db2.gz KGAYHNSKHYJAEC-UHFFFAOYSA-N -1 1 387.505 3.595 20 30 GHEDMM N#C[C@H](C(=O)C[C@@H]1CCC2(CCC2)O1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000892424932 835499782 /nfs/dbraw/zinc/49/97/82/835499782.db2.gz TUYXRDYQJBVCNM-GXTWGEPZSA-N -1 1 397.500 3.944 20 30 GHEDMM N#CC(=C([O-])c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc(C2CC2)cs1 ZINC000647374864 835508846 /nfs/dbraw/zinc/50/88/46/835508846.db2.gz NIIXBGFCWPRTIF-DOTOQJQBSA-N -1 1 381.457 3.628 20 30 GHEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1csc(N2CCCCC2)n1 ZINC000892493732 836180911 /nfs/dbraw/zinc/18/09/11/836180911.db2.gz QSKKADMMCHOHOJ-CQSZACIVSA-N -1 1 388.880 3.748 20 30 GHEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000549722191 844166928 /nfs/dbraw/zinc/16/69/28/844166928.db2.gz OVNDZWVQYZIEIV-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM CC[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000122175067 837922242 /nfs/dbraw/zinc/92/22/42/837922242.db2.gz YRPXYIDDJGILEN-HNNXBMFYSA-N -1 1 378.837 3.600 20 30 GHEDMM COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614358714 844281287 /nfs/dbraw/zinc/28/12/87/844281287.db2.gz ZTJBWHNLZHWOLR-UHFFFAOYSA-N -1 1 380.322 3.560 20 30 GHEDMM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614364026 844296449 /nfs/dbraw/zinc/29/64/49/844296449.db2.gz FSDDMJAWQJITQO-HUUCEWRRSA-N -1 1 391.471 3.943 20 30 GHEDMM N#CCCn1cc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c2ccccc21 ZINC000188142226 838550820 /nfs/dbraw/zinc/55/08/20/838550820.db2.gz BTRMKFJBAOIZCL-UHFFFAOYSA-N -1 1 378.457 3.903 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)c(F)c1 ZINC000535710194 844341603 /nfs/dbraw/zinc/34/16/03/844341603.db2.gz IOMSZSHFIDAVRM-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM Cn1c(C(C#N)=C([O-])c2ccc(Br)cc2[N+](=O)[O-])nc2ccccc21 ZINC000432215194 841228899 /nfs/dbraw/zinc/22/88/99/841228899.db2.gz XFLMQOHPXLNQKB-GFCCVEGCSA-N -1 1 399.204 3.734 20 30 GHEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000070885265 842322228 /nfs/dbraw/zinc/32/22/28/842322228.db2.gz XKOPOKCMKFQIMY-UHFFFAOYSA-N -1 1 393.472 3.711 20 30 GHEDMM C=CCC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000432281760 842508825 /nfs/dbraw/zinc/50/88/25/842508825.db2.gz YUJKEZXXRRYNAZ-UHFFFAOYSA-N -1 1 380.293 3.661 20 30 GHEDMM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135372366 842895983 /nfs/dbraw/zinc/89/59/83/842895983.db2.gz UDVISGYPZDHBNS-UHFFFAOYSA-N -1 1 399.241 3.578 20 30 GHEDMM CC(C)(C)C1CCC(c2cc([N-]S(=O)(=O)c3ccc(C#N)o3)[nH]n2)CC1 ZINC000582025822 846099914 /nfs/dbraw/zinc/09/99/14/846099914.db2.gz GJTSREQAJAASNE-UHFFFAOYSA-N -1 1 376.482 3.995 20 30 GHEDMM Cc1ncsc1C=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000588522653 847360792 /nfs/dbraw/zinc/36/07/92/847360792.db2.gz HFHCODHLXJYHIH-DGMVEKRQSA-N -1 1 396.497 3.930 20 30 GHEDMM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479518089 847697472 /nfs/dbraw/zinc/69/74/72/847697472.db2.gz PVDHKFOZUNUDIA-UHFFFAOYSA-N -1 1 378.837 3.834 20 30 GHEDMM C=CCCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000135655696 848292160 /nfs/dbraw/zinc/29/21/60/848292160.db2.gz PNCSAQLXRUDNOF-UHFFFAOYSA-N -1 1 376.453 3.665 20 30 GHEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)nc(=O)c2c1C ZINC000121975264 848601311 /nfs/dbraw/zinc/60/13/11/848601311.db2.gz FCFZTSMCOAAPFS-SNVBAGLBSA-N -1 1 390.827 3.640 20 30 GHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1C#N ZINC000435139477 850125278 /nfs/dbraw/zinc/12/52/78/850125278.db2.gz DSZWLAYGTPFLFF-UHFFFAOYSA-N -1 1 395.278 3.909 20 30 GHEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000435717929 850802107 /nfs/dbraw/zinc/80/21/07/850802107.db2.gz AAGXYBHDLPXCFP-UHFFFAOYSA-N -1 1 388.489 3.529 20 30 GHEDMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435755527 850851297 /nfs/dbraw/zinc/85/12/97/850851297.db2.gz KHFJFJVWXZLCHT-UHFFFAOYSA-N -1 1 399.516 3.930 20 30 GHEDMM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c1 ZINC000436542037 852056286 /nfs/dbraw/zinc/05/62/86/852056286.db2.gz CAYVFJMCYJOJFH-UHFFFAOYSA-N -1 1 399.450 3.908 20 30 GHEDMM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3[O-])CC2)c1 ZINC000436545760 852059420 /nfs/dbraw/zinc/05/94/20/852059420.db2.gz SKPPCSYPRRMHGQ-UHFFFAOYSA-N -1 1 399.450 3.908 20 30 GHEDMM C=CCC[C@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1)c1ccccc1 ZINC000489635745 852499528 /nfs/dbraw/zinc/49/95/28/852499528.db2.gz WIPSXYCLUMXWTD-KRWDZBQOSA-N -1 1 388.489 3.755 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)ccc1Cl ZINC000055574148 854011845 /nfs/dbraw/zinc/01/18/45/854011845.db2.gz IOFLEHHGXVGJOP-UHFFFAOYSA-N -1 1 376.652 3.901 20 30 GHEDMM C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589195108 854742006 /nfs/dbraw/zinc/74/20/06/854742006.db2.gz MOQDZTDARHUSCK-JTQLQIEISA-N -1 1 377.213 3.526 20 30 GHEDMM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589197113 854743743 /nfs/dbraw/zinc/74/37/43/854743743.db2.gz GREAFJHZDGFMOU-PIGZYNQJSA-N -1 1 389.249 3.532 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N2CC=C(c3cccc(Br)c3)CC2)c1 ZINC000589206340 854750420 /nfs/dbraw/zinc/75/04/20/854750420.db2.gz UNVZIIDSNYNWCS-UHFFFAOYSA-N -1 1 383.245 3.956 20 30 GHEDMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1)c1ccccc1 ZINC000055650363 855367490 /nfs/dbraw/zinc/36/74/90/855367490.db2.gz XKAKRHSXDQKERX-UHFFFAOYSA-N -1 1 391.452 3.636 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)c1 ZINC000171779280 856262822 /nfs/dbraw/zinc/26/28/22/856262822.db2.gz GUAFSGMMDVMEQM-UHFFFAOYSA-N -1 1 378.457 3.559 20 30 GHEDMM N#Cc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c(OC(F)F)c1 ZINC000674494668 856349703 /nfs/dbraw/zinc/34/97/03/856349703.db2.gz YQYWTLZTBHVGSD-UHFFFAOYSA-N -1 1 386.398 3.960 20 30 GHEDMM COC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)cs1 ZINC000905824993 856636799 /nfs/dbraw/zinc/63/67/99/856636799.db2.gz RAMCPSBKLHHSOT-BDAKNGLRSA-N -1 1 375.475 3.801 20 30 GHEDMM Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427766094 856710062 /nfs/dbraw/zinc/71/00/62/856710062.db2.gz WGEGKRISLLBQFP-OAHLLOKOSA-N -1 1 384.505 3.750 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Br ZINC000508114752 856941665 /nfs/dbraw/zinc/94/16/65/856941665.db2.gz FOZPWAJVJOJNFO-UHFFFAOYSA-N -1 1 396.653 3.647 20 30 GHEDMM COC(=O)[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593213911 857403488 /nfs/dbraw/zinc/40/34/88/857403488.db2.gz AQUTVBBMTYMCIH-AWEZNQCLSA-N -1 1 386.473 3.565 20 30 GHEDMM N#CC1(CNC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CCCC1 ZINC000593177576 857411843 /nfs/dbraw/zinc/41/18/43/857411843.db2.gz MQYOJYKWAVVDPA-UHFFFAOYSA-N -1 1 398.488 3.693 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1OC(F)(F)F ZINC000442232215 857624377 /nfs/dbraw/zinc/62/43/77/857624377.db2.gz XCNMAGBKOUPIIE-UHFFFAOYSA-N -1 1 378.278 3.536 20 30 GHEDMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442238360 857642027 /nfs/dbraw/zinc/64/20/27/857642027.db2.gz ZNQWUGGCXTWNSG-UHFFFAOYSA-N -1 1 388.392 3.980 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1OC(F)(F)F ZINC000442236300 857663384 /nfs/dbraw/zinc/66/33/84/857663384.db2.gz MAPIJPKCHLCEAH-UHFFFAOYSA-N -1 1 396.268 3.675 20 30 GHEDMM COc1ccc(CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000574338675 857678127 /nfs/dbraw/zinc/67/81/27/857678127.db2.gz ZCZIGEFSBBJQJE-AWEZNQCLSA-N -1 1 380.444 3.722 20 30 GHEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)CCCCC#N ZINC000594278437 858024344 /nfs/dbraw/zinc/02/43/44/858024344.db2.gz QELZKKQENFVVKY-UHFFFAOYSA-N -1 1 385.489 3.530 20 30 GHEDMM CCC(CC)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccs1 ZINC000443014347 858311297 /nfs/dbraw/zinc/31/12/97/858311297.db2.gz ZJTYGYBGMHDFOH-KRWDZBQOSA-N -1 1 393.490 3.984 20 30 GHEDMM Cc1cc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)nn1C(C)C ZINC000521991820 858514528 /nfs/dbraw/zinc/51/45/28/858514528.db2.gz DCOHWCLGWUGCSM-UHFFFAOYSA-N -1 1 380.477 3.757 20 30 GHEDMM CC[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000183830778 858826456 /nfs/dbraw/zinc/82/64/56/858826456.db2.gz AJKUEDBMPAEWMI-QGZVFWFLSA-N -1 1 385.489 3.526 20 30 GHEDMM CC[C@@H](CC#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000183925625 858840676 /nfs/dbraw/zinc/84/06/76/858840676.db2.gz ANPBQFHJEXINOX-KRWDZBQOSA-N -1 1 385.489 3.526 20 30 GHEDMM CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cccc(C)c3C#N)n2)cc1 ZINC000443499402 858842917 /nfs/dbraw/zinc/84/29/17/858842917.db2.gz KJQYWOCJZPOVMZ-AWEZNQCLSA-N -1 1 396.472 3.519 20 30 GHEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C#N)CC3)c2)cc1 ZINC000160740522 859156696 /nfs/dbraw/zinc/15/66/96/859156696.db2.gz OXCFLVXWPJBZMM-UHFFFAOYSA-N -1 1 397.500 3.616 20 30 GHEDMM C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000194581366 859529453 /nfs/dbraw/zinc/52/94/53/859529453.db2.gz DCNMEJOAZHWKLS-UHFFFAOYSA-N -1 1 384.501 3.918 20 30 GHEDMM CCOC(=O)c1sc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c(C#N)c1C ZINC000611167216 859630889 /nfs/dbraw/zinc/63/08/89/859630889.db2.gz YUAUJBGOSXIRNE-NSHDSACASA-N -1 1 391.474 3.665 20 30 GHEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000764842140 859638317 /nfs/dbraw/zinc/63/83/17/859638317.db2.gz WZDZFQHXYJHCCO-UHFFFAOYSA-N -1 1 388.250 3.531 20 30 GHEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000128901017 860002148 /nfs/dbraw/zinc/00/21/48/860002148.db2.gz JOPSOMWNGLQFNY-ZDUSSCGKSA-N -1 1 387.779 3.608 20 30 GHEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Br ZINC000488333467 860208921 /nfs/dbraw/zinc/20/89/21/860208921.db2.gz NAPQFPXRVPMBKX-UHFFFAOYSA-N -1 1 395.278 3.829 20 30 GHEDMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489791328 860753501 /nfs/dbraw/zinc/75/35/01/860753501.db2.gz ZDRJJXHNUGYUJW-MRVPVSSYSA-N -1 1 397.312 3.980 20 30 GHEDMM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc2cc(F)ccc2s1 ZINC000730416153 861098177 /nfs/dbraw/zinc/09/81/77/861098177.db2.gz BDUFJEFCUBOEGO-AWEZNQCLSA-N -1 1 381.388 3.882 20 30 GHEDMM CCOC[C@@H](C)Oc1c(Br)cc(Br)cc1C=N[O-] ZINC001231322972 863113730 /nfs/dbraw/zinc/11/37/30/863113730.db2.gz ORGUHRRFCDUERB-MRVPVSSYSA-N -1 1 381.064 3.824 20 30 GHEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4nnn(C)c4c3)n2)cc1 ZINC000183540817 866831796 /nfs/dbraw/zinc/83/17/96/866831796.db2.gz ZPJYDNORWKFMAJ-HNNXBMFYSA-N -1 1 389.440 3.590 20 30 GHEDMM Cc1ccc(-c2ccc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)s2)cc1 ZINC000920480014 882145208 /nfs/dbraw/zinc/14/52/08/882145208.db2.gz YVQRTWURBASGJK-UHFFFAOYSA-N -1 1 381.482 3.796 20 30 GHEDMM CC[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000183804753 867986757 /nfs/dbraw/zinc/98/67/57/867986757.db2.gz VNEFMLKIYBVBFP-HNNXBMFYSA-N -1 1 391.880 3.563 20 30 GHEDMM Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)c(C#N)c1 ZINC001192357827 870317156 /nfs/dbraw/zinc/31/71/56/870317156.db2.gz MRNSBRVXVUFGDY-UHFFFAOYSA-N -1 1 390.896 3.706 20 30 GHEDMM Cc1cc(C#N)cc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192429790 870359517 /nfs/dbraw/zinc/35/95/17/870359517.db2.gz SEDSUQUQLPVHBE-UHFFFAOYSA-N -1 1 399.255 3.981 20 30 GHEDMM COc1cc(C(=O)[N-]c2c(C#N)cnnc2-c2ccccc2)c(F)c(F)c1F ZINC001193034251 870830593 /nfs/dbraw/zinc/83/05/93/870830593.db2.gz OIPIJYFAEJFNBZ-UHFFFAOYSA-N -1 1 384.317 3.693 20 30 GHEDMM N#C[C@@H](C(=O)Cc1cccc(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000070031545 871847584 /nfs/dbraw/zinc/84/75/84/871847584.db2.gz XRDSOVAMUYGLIS-AWEZNQCLSA-N -1 1 397.887 3.936 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000182518037 872487142 /nfs/dbraw/zinc/48/71/42/872487142.db2.gz XVKRWRSANXHXNW-UHFFFAOYSA-N -1 1 390.424 3.871 20 30 GHEDMM C#C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C)C1CC1 ZINC000767524969 872594654 /nfs/dbraw/zinc/59/46/54/872594654.db2.gz SKVJEMZDPYSXND-FQEVSTJZSA-N -1 1 383.469 3.673 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)c1 ZINC000619462609 872659111 /nfs/dbraw/zinc/65/91/11/872659111.db2.gz RXNPOQWQSLFEJY-UHFFFAOYSA-N -1 1 390.371 3.541 20 30 GHEDMM COc1ccc(CN(CC2CCC2)C(=O)c2cc([O-])cc(C#N)c2)c(OC)c1 ZINC000619777659 872991747 /nfs/dbraw/zinc/99/17/47/872991747.db2.gz BQPDFSANYSNORK-UHFFFAOYSA-N -1 1 380.444 3.724 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cncnc3C(F)(F)F)c2)c1 ZINC001196309064 873002328 /nfs/dbraw/zinc/00/23/28/873002328.db2.gz KRCXLSAHJDPNOC-UHFFFAOYSA-N -1 1 384.317 3.992 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cnc4ccc(Cl)nn43)c2)c1 ZINC001196296757 873022433 /nfs/dbraw/zinc/02/24/33/873022433.db2.gz FEFJRTCNXAMQGZ-UHFFFAOYSA-N -1 1 389.802 3.879 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Oc3cc(F)cc(F)c3)cc2)c(=O)o1 ZINC000921262630 882782778 /nfs/dbraw/zinc/78/27/78/882782778.db2.gz VXIFVNWKGULVTG-FDIFFNORSA-N -1 1 384.334 3.985 20 30 GHEDMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(SC2CCCC2)cc1 ZINC000769818137 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3.518 20 30 GHEDMM COc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000727358823 860051993 /nfs/dbraw/zinc/05/19/93/860051993.db2.gz GBTYDBCYXHLBRQ-HJWRWDBZSA-N -1 1 393.262 3.742 20 30 GHEDMM N#Cc1cccc(CN2CCC(N=c3[n-]nc(-c4ccccc4)s3)CC2)c1 ZINC000593515769 860106253 /nfs/dbraw/zinc/10/62/53/860106253.db2.gz SLOVIIXPLBJEEV-UHFFFAOYSA-N -1 1 375.501 3.575 20 30 GHEDMM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000041557408 860800378 /nfs/dbraw/zinc/80/03/78/860800378.db2.gz QHUKQLSZTWFEIA-ASHKIFAZSA-N -1 1 387.411 3.800 20 30 GHEDMM CC(=O)[C@@H]1CC(C([O-])=C(C#N)c2nc3ccccc3s2)=NN1c1ccccc1 ZINC000733679899 863108449 /nfs/dbraw/zinc/10/84/49/863108449.db2.gz GRUUNVCKBWVWOY-YJBOKZPZSA-N -1 1 388.452 3.696 20 30 GHEDMM C=CCCCN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000522980174 863833653 /nfs/dbraw/zinc/83/36/53/863833653.db2.gz NZCKSDFUECPXQC-UHFFFAOYSA-N -1 1 375.450 3.798 20 30 GHEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(C(F)(F)F)c3)ccc2O1 ZINC000480077181 863975950 /nfs/dbraw/zinc/97/59/50/863975950.db2.gz JUKNRTYIFVJUCP-SNVBAGLBSA-N -1 1 382.363 3.701 20 30 GHEDMM C=CCn1c(-c2sc(NC(=O)CCC3CCOCC3)nc2C)n[n-]c1=S ZINC000173249896 864531813 /nfs/dbraw/zinc/53/18/13/864531813.db2.gz ZOMJFOXBYQTVIJ-UHFFFAOYSA-N -1 1 393.538 3.704 20 30 GHEDMM C=CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc([C@H](C)O)cc2)cc1 ZINC000735524072 864836480 /nfs/dbraw/zinc/83/64/80/864836480.db2.gz HZQOSNJOTRBAEO-HNNXBMFYSA-N -1 1 389.473 3.664 20 30 GHEDMM Cc1ccsc1C(Cc1ccccc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000735971981 865078318 /nfs/dbraw/zinc/07/83/18/865078318.db2.gz FYMUNRKQHBEUKX-UHFFFAOYSA-N -1 1 395.509 3.742 20 30 GHEDMM C[C@@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1cccc(F)c1 ZINC000173916786 865236009 /nfs/dbraw/zinc/23/60/09/865236009.db2.gz XSWSIMMUOMGRMY-ABAIWWIYSA-N -1 1 395.459 3.982 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(CCC#N)C(C)C)ccc2C)c1 ZINC000608813797 865719627 /nfs/dbraw/zinc/71/96/27/865719627.db2.gz FOYJUWXUZCXGLL-UHFFFAOYSA-N -1 1 399.516 3.869 20 30 GHEDMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000608954962 865879513 /nfs/dbraw/zinc/87/95/13/865879513.db2.gz FVSVKNYPTWNUOX-UHFFFAOYSA-N -1 1 391.452 3.920 20 30 GHEDMM Cc1nsc(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1C#N ZINC000553037966 866675134 /nfs/dbraw/zinc/67/51/34/866675134.db2.gz NWPPUGKMUIOFSO-UHFFFAOYSA-N -1 1 398.513 3.760 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C)c3c2)c1 ZINC000479570141 868056131 /nfs/dbraw/zinc/05/61/31/868056131.db2.gz OEGBXGWIGOAOLS-UHFFFAOYSA-N -1 1 384.457 3.766 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000524918750 869755600 /nfs/dbraw/zinc/75/56/00/869755600.db2.gz LQXXOVLCAUBWKY-UHFFFAOYSA-N -1 1 392.484 3.867 20 30 GHEDMM O=C(COCC(F)(F)F)[N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000547482434 869883794 /nfs/dbraw/zinc/88/37/94/869883794.db2.gz HRMIUJUCMKJEIV-SNVBAGLBSA-N -1 1 399.209 3.884 20 30 GHEDMM Cc1nc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)sc1C ZINC001192597363 870527385 /nfs/dbraw/zinc/52/73/85/870527385.db2.gz CZABOOUNXPCZHC-QGMBQPNBSA-N -1 1 385.474 3.547 20 30 GHEDMM CSc1nc(Cl)c(C(=O)[N-]c2nc3ncccc3cc2C#N)c(Cl)n1 ZINC001192619369 870567551 /nfs/dbraw/zinc/56/75/51/870567551.db2.gz VFHJNECMBJKJQZ-UHFFFAOYSA-N -1 1 391.243 3.572 20 30 GHEDMM COc1ccc([N-]S(=O)(=O)c2cccc(N=Cc3cccc(O)c3O)c2)cc1 ZINC000920946278 882467023 /nfs/dbraw/zinc/46/70/23/882467023.db2.gz YWWNRADOLPOEBK-UHFFFAOYSA-N -1 1 398.440 3.658 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c(Cl)c1 ZINC000447274700 871261089 /nfs/dbraw/zinc/26/10/89/871261089.db2.gz NZKAQYKJBZVWBU-UHFFFAOYSA-N -1 1 394.733 3.892 20 30 GHEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2ccco2)cc1F ZINC000447269087 871294274 /nfs/dbraw/zinc/29/42/74/871294274.db2.gz ZIRPUPKDJXXRIA-UHFFFAOYSA-N -1 1 387.348 3.666 20 30 GHEDMM N#CCOc1cccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000921022393 882508576 /nfs/dbraw/zinc/50/85/76/882508576.db2.gz OXOORPKUTCNWOI-UHFFFAOYSA-N -1 1 394.452 3.969 20 30 GHEDMM N#CC(=C([O-])c1cccc(NC(=O)[C@H]2CCCO2)c1)c1nc2ccccc2s1 ZINC000041499389 871721205 /nfs/dbraw/zinc/72/12/05/871721205.db2.gz UZTOJHKNSYLNQR-NVXWUHKLSA-N -1 1 391.452 3.904 20 30 GHEDMM N#CCCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000767246093 872356835 /nfs/dbraw/zinc/35/68/35/872356835.db2.gz ICOIAWFLZARMFZ-UHFFFAOYSA-N -1 1 392.864 3.991 20 30 GHEDMM N#Cc1cccnc1-n1cc([N-]c2nn3cc(-c4ccccc4)nc3s2)cn1 ZINC000763551663 872529641 /nfs/dbraw/zinc/52/96/41/872529641.db2.gz ZDICTDULXPGTOM-UHFFFAOYSA-N -1 1 384.428 3.654 20 30 GHEDMM C=CCOC(=O)c1sc2[n-]c(CO[C@@H]3CCCC[C@@H]3C)nc(=O)c2c1C ZINC000070694350 872740022 /nfs/dbraw/zinc/74/00/22/872740022.db2.gz VVYLMWOHGLHBGT-WCQYABFASA-N -1 1 376.478 3.731 20 30 GHEDMM Cn1nc(Br)cc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309042 873002145 /nfs/dbraw/zinc/00/21/45/873002145.db2.gz JUSHLYRZGFGDHM-UHFFFAOYSA-N -1 1 397.232 3.679 20 30 GHEDMM Cc1cc(C)n2nc(NC(=O)c3cc([O-])cc(-c4cccc(C#N)c4)c3)cc2n1 ZINC001196309140 873003094 /nfs/dbraw/zinc/00/30/94/873003094.db2.gz NUENJGHIZGHFEW-UHFFFAOYSA-N -1 1 383.411 3.843 20 30 GHEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(C(F)(F)F)C(F)(F)F ZINC001196713276 873316377 /nfs/dbraw/zinc/31/63/77/873316377.db2.gz HZFOKDCDGBUYSJ-UHFFFAOYSA-N -1 1 394.724 3.621 20 30 GHEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC001196690192 873328591 /nfs/dbraw/zinc/32/85/91/873328591.db2.gz JLKKWLVVZGFILK-UHFFFAOYSA-N -1 1 379.844 3.752 20 30 GHEDMM CC(C)(C)C(=O)OCc1nc(C(=O)[N-]c2c(C#N)ccc(F)c2F)cs1 ZINC001197010946 873528512 /nfs/dbraw/zinc/52/85/12/873528512.db2.gz VEEHNVRCRPUZHC-UHFFFAOYSA-N -1 1 379.388 3.635 20 30 GHEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001197311020 873699193 /nfs/dbraw/zinc/69/91/93/873699193.db2.gz QXKCOOULWQBIQQ-UHFFFAOYSA-N -1 1 390.262 3.556 20 30 GHEDMM CCc1cccc2c(CN=Nc3nc4c(cnn4C(C)(C)C)c(=O)[n-]3)c[nH]c21 ZINC000769809634 874300289 /nfs/dbraw/zinc/30/02/89/874300289.db2.gz FRBLJGDZMZIGRE-UHFFFAOYSA-N -1 1 377.452 3.777 20 30 GHEDMM CC(C)(C#N)CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000776357132 876325316 /nfs/dbraw/zinc/32/53/16/876325316.db2.gz MCBBRNCRGXDRQV-UHFFFAOYSA-N -1 1 390.436 3.723 20 30 GHEDMM CC(C)(C)O[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000850738963 877132981 /nfs/dbraw/zinc/13/29/81/877132981.db2.gz HTTWXGNIMBMZEJ-JHJVBQTASA-N -1 1 385.489 3.656 20 30 GHEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C=CC(=O)OC)o1 ZINC000850760925 877148262 /nfs/dbraw/zinc/14/82/62/877148262.db2.gz XSPPHADIDDWOPN-XSLBHYSZSA-N -1 1 394.427 3.552 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)ccc1Cl ZINC000530145543 877166123 /nfs/dbraw/zinc/16/61/23/877166123.db2.gz WIFVOIUWNKFVGP-UHFFFAOYSA-N -1 1 376.865 3.906 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(Cl)c3ccccc3n2C)n1 ZINC000067897626 877612969 /nfs/dbraw/zinc/61/29/69/877612969.db2.gz BKKUGYALJBMLHM-LLVKDONJSA-N -1 1 387.848 3.955 20 30 GHEDMM N#Cc1ccccc1CSCCNC(=O)c1ccc(Br)cc1[O-] ZINC000195726255 877807527 /nfs/dbraw/zinc/80/75/27/877807527.db2.gz ASVORFVMQOUAOY-UHFFFAOYSA-N -1 1 391.290 3.690 20 30 GHEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1C[C@@H](Oc3ccccc3)C1(C)C)nc2=O ZINC000789017522 878540579 /nfs/dbraw/zinc/54/05/79/878540579.db2.gz IREORKOUFATGIB-MRXNPFEDSA-N -1 1 394.479 3.932 20 30 GHEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000617037313 879336275 /nfs/dbraw/zinc/33/62/75/879336275.db2.gz LJZDOUQDGYLHDO-QFBILLFUSA-N -1 1 380.492 3.736 20 30 GHEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000031668167 879872172 /nfs/dbraw/zinc/87/21/72/879872172.db2.gz UQESCLXPFOLWPO-UHFFFAOYSA-N -1 1 379.869 3.757 20 30 GHEDMM C=C(C)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000452722200 879919867 /nfs/dbraw/zinc/91/98/67/879919867.db2.gz JLNSUUUSZRXPDH-UHFFFAOYSA-N -1 1 388.489 3.582 20 30 GHEDMM C[C@@H](C(=O)N([O-])C(=N)c1ccccc1N)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC001183449171 912540919 /nfs/dbraw/zinc/54/09/19/912540919.db2.gz YGVPCOLYHLCQMY-PBHICJAKSA-N 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C[C@@H](NC(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000806492027 884736576 /nfs/dbraw/zinc/73/65/76/884736576.db2.gz AXFNWUPDHJQZCY-OAHLLOKOSA-N -1 1 396.454 3.763 20 30 GHEDMM CC(C)C1(C(=O)Nc2ccc(C#N)cc2[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC001184003864 912966313 /nfs/dbraw/zinc/96/63/13/912966313.db2.gz FCVDCALIVISDDK-UHFFFAOYSA-N -1 1 387.480 3.876 20 30 GHEDMM Cc1ccc(C2N=NC(=S)N2N=Cc2ccc([O-])c(Br)c2)cc1 ZINC000916306313 888903387 /nfs/dbraw/zinc/90/33/87/888903387.db2.gz HFVOYQSAIVGZPX-UHFFFAOYSA-N -1 1 389.278 3.893 20 30 GHEDMM N#Cc1ccc(NC(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1 ZINC001184717055 913379859 /nfs/dbraw/zinc/37/98/59/913379859.db2.gz SZISGQMIIJSLOK-SRZZPIQSSA-N -1 1 390.428 3.737 20 30 GHEDMM Cc1cc(F)ncc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000870122224 890221040 /nfs/dbraw/zinc/22/10/40/890221040.db2.gz HERRBWLRRKJRKQ-LLVKDONJSA-N -1 1 382.420 3.608 20 30 GHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)cc1 ZINC000916914912 890415640 /nfs/dbraw/zinc/41/56/40/890415640.db2.gz YLNBXSICQZJMAS-IBGZPJMESA-N -1 1 387.443 3.571 20 30 GHEDMM CCCCSCCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123843516 891074605 /nfs/dbraw/zinc/07/46/05/891074605.db2.gz JEFYKHBWHXUGGB-CYBMUJFWSA-N -1 1 389.546 3.963 20 30 GHEDMM CC[C@](C)(C#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000127508268 891103828 /nfs/dbraw/zinc/10/38/28/891103828.db2.gz RSTCSEZBWMBBSS-HXUWFJFHSA-N -1 1 385.489 3.526 20 30 GHEDMM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(Cl)cc1 ZINC001212072817 891625596 /nfs/dbraw/zinc/62/55/96/891625596.db2.gz VXIRAKDCOVRJBB-CYBMUJFWSA-N -1 1 376.211 3.924 20 30 GHEDMM CC#CCCNC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000455792868 893288506 /nfs/dbraw/zinc/28/85/06/893288506.db2.gz NPHQCYRHCKTFPH-UHFFFAOYSA-N -1 1 385.489 3.639 20 30 GHEDMM CC(=NOC[C@@H]1CCOC1)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814912062 893290796 /nfs/dbraw/zinc/29/07/96/893290796.db2.gz IMEOOFCQAAHXRU-QGZVFWFLSA-N -1 1 388.489 3.573 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CC(C)(C)OC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1F ZINC001258136199 1044421137 /nfs/dbraw/zinc/42/11/37/1044421137.db2.gz QJWNKMQMZWPUKQ-UHFFFAOYSA-N -1 1 391.424 3.845 20 30 GHEDMM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)c(C#N)c1 ZINC001259204565 1045006725 /nfs/dbraw/zinc/00/67/25/1045006725.db2.gz WGDKXBTUDKBOHA-UHFFFAOYSA-N -1 1 385.489 3.666 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(F)c2)ccc1F ZINC001259410924 1045133752 /nfs/dbraw/zinc/13/37/52/1045133752.db2.gz HBJMLJWRGAECMF-UHFFFAOYSA-N -1 1 378.278 3.536 20 30 GHEDMM CC1CCN(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2)CC1 ZINC001259705868 1045271555 /nfs/dbraw/zinc/27/15/55/1045271555.db2.gz QACJCAUHLVKNHJ-UHFFFAOYSA-N -1 1 398.488 3.623 20 30 GHEDMM N#Cc1c(F)cc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1F ZINC001260033274 1045365178 /nfs/dbraw/zinc/36/51/78/1045365178.db2.gz BGRGVTLFVYJFAI-UHFFFAOYSA-N -1 1 376.306 3.797 20 30 GHEDMM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(Oc2ccccn2)cc1 ZINC001260147209 1045397675 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378.457 3.723 20 30 GHEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000517436514 851960401 /nfs/dbraw/zinc/96/04/01/851960401.db2.gz LLZHRPNJDXPKTM-UHFFFAOYSA-N -1 1 389.502 3.842 20 30 GHEDMM COc1cc([C@@H](C#N)NC(=O)c2cc3ccccc3cc2[O-])cc(OC)c1OC ZINC000436605680 852105914 /nfs/dbraw/zinc/10/59/14/852105914.db2.gz LGBZMLLFYDQGAM-QGZVFWFLSA-N -1 1 392.411 3.566 20 30 GHEDMM C=C(C)CNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436815636 852356666 /nfs/dbraw/zinc/35/66/66/852356666.db2.gz PBLMNOILVCNSTJ-UHFFFAOYSA-N -1 1 389.249 3.713 20 30 GHEDMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@@H](NCc1ccc(C#N)cc1)C(=O)[O-] ZINC000426802601 852414334 /nfs/dbraw/zinc/41/43/34/852414334.db2.gz WSSOFKZEJJLUQH-HXUWFJFHSA-N -1 1 394.862 3.930 20 30 GHEDMM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000029047850 852447162 /nfs/dbraw/zinc/44/71/62/852447162.db2.gz ZNDLZOHNMIQXHC-OAQYLSRUSA-N -1 1 389.430 3.707 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c(F)c1 ZINC000427269913 852921339 /nfs/dbraw/zinc/92/13/39/852921339.db2.gz OQPNJFVMKSUZTN-UHFFFAOYSA-N -1 1 378.278 3.536 20 30 GHEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000029330537 862429938 /nfs/dbraw/zinc/42/99/38/862429938.db2.gz NWZDDNAXMYQFOA-UHFFFAOYSA-N -1 1 399.394 3.814 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ncc(C3CCC3)cc2Br)c1 ZINC000518310674 853205793 /nfs/dbraw/zinc/20/57/93/853205793.db2.gz UWLIDIDLCLKTON-UHFFFAOYSA-N -1 1 392.278 3.784 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c2cccnc12 ZINC000055639962 854042453 /nfs/dbraw/zinc/04/24/53/854042453.db2.gz DSMMSCHSOQPBJY-UHFFFAOYSA-N -1 1 397.456 3.727 20 30 GHEDMM Cc1ccc(-n2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)c(C(C)(C)C)n2)cc1 ZINC000164779144 854286700 /nfs/dbraw/zinc/28/67/00/854286700.db2.gz VURATODXZRBLGN-ZBWUASRJSA-N -1 1 392.455 3.706 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000536303819 854682173 /nfs/dbraw/zinc/68/21/73/854682173.db2.gz HBIBKVALVLJWTC-UHFFFAOYSA-N -1 1 382.489 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ZINC001218223414 1030839403 /nfs/dbraw/zinc/83/94/03/1030839403.db2.gz NPGVMCLCSVPOGY-LMTHACJXSA-N -1 1 388.423 3.830 20 30 GHEDMM COc1c(/C=C/C(=O)c2ccc([O-])cc2)ccc(O)c1OC1CCC(O)CC1 ZINC001218368143 1030911066 /nfs/dbraw/zinc/91/10/66/1030911066.db2.gz GAYSJOSEYDZSOB-UUILKARUSA-N -1 1 384.428 3.685 20 30 GHEDMM C[C@@H](Oc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1O)C1CCOCC1 ZINC001229207781 1033341653 /nfs/dbraw/zinc/34/16/53/1033341653.db2.gz KAMUHUZJJRHZTD-PJICWNCHSA-N -1 1 382.412 3.908 20 30 GHEDMM COc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O[C@@H]2CCOC[C@@H]2F)c1 ZINC001229693934 1033647209 /nfs/dbraw/zinc/64/72/09/1033647209.db2.gz JBNMRPSFWSAGAR-XEZLMAGHSA-N -1 1 388.391 3.508 20 30 GHEDMM COc1c(/C=C/C(=O)c2ccc([O-])cc2)ccc(O)c1O[C@@H]1CCOC[C@H]1F ZINC001230162739 1033925165 /nfs/dbraw/zinc/92/51/65/1033925165.db2.gz ZIJMQVDUJJEGRR-POWBCIFLSA-N -1 1 388.391 3.508 20 30 GHEDMM COc1cc(OC2=C(C)[C@@H](C)OC2=O)ccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC001230166199 1033926476 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WXPITPKSUYABAH-UHFFFAOYSA-N -1 1 379.441 3.738 20 30 GHEDMM COc1ncc(-c2ccc(C3(C#N)CCCCC3)cc2)cc1[N-]S(C)(=O)=O ZINC001244795151 1036647635 /nfs/dbraw/zinc/64/76/35/1036647635.db2.gz XPNPILOAXAJFCX-UHFFFAOYSA-N -1 1 385.489 3.854 20 30 GHEDMM CCOC[C@H]1CN(Cc2cc(C#N)ccc2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001232677488 1038476325 /nfs/dbraw/zinc/47/63/25/1038476325.db2.gz MBIRBHDWRAFRDS-OAQYLSRUSA-N -1 1 394.519 3.786 20 30 GHEDMM C=CCOCc1nn(CC2CC2)c2c1CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333147 1039131947 /nfs/dbraw/zinc/13/19/47/1039131947.db2.gz LLIDIELYVFDFAB-UHFFFAOYSA-N -1 1 389.446 3.538 20 30 GHEDMM C[C@@H](C#C[Si](C)(C)C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234125250 1039866676 /nfs/dbraw/zinc/86/66/76/1039866676.db2.gz PVUGQQQFNBNWQV-NSHDSACASA-N -1 1 384.460 3.711 20 30 GHEDMM COc1cc([O-])cc(O[C@H]2CCCCC2=O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234780334 1040310127 /nfs/dbraw/zinc/31/01/27/1040310127.db2.gz SBBNJKRDXQNJHG-BLRBJFNZSA-N -1 1 382.412 3.893 20 30 GHEDMM CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)CC1 ZINC001255539969 1041117840 /nfs/dbraw/zinc/11/78/40/1041117840.db2.gz SMVXYIMBFFBOSD-UHFFFAOYSA-N -1 1 399.491 3.517 20 30 GHEDMM CC(C)(O)C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC001255926498 1041415200 /nfs/dbraw/zinc/41/52/00/1041415200.db2.gz GNIJRSOLNZNDFY-UHFFFAOYSA-N -1 1 383.391 3.629 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)ccc1Br ZINC001237692062 1042328505 /nfs/dbraw/zinc/32/85/05/1042328505.db2.gz JYUGMYDMFJNXAY-UHFFFAOYSA-N -1 1 376.235 3.603 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1N1CCCC1 ZINC001256641178 1043588440 /nfs/dbraw/zinc/58/84/40/1043588440.db2.gz SXULXXADPWOURS-UHFFFAOYSA-N -1 1 395.406 3.978 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3Cc3ccccc3)c2)cc1 ZINC001258116647 1044403616 /nfs/dbraw/zinc/40/36/16/1044403616.db2.gz QVSWSGIRXSFGMF-UHFFFAOYSA-N -1 1 388.452 3.757 20 30 GHEDMM O=C([N-]CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)C1(O)CCCCC1 ZINC001294496287 1044665520 /nfs/dbraw/zinc/66/55/20/1044665520.db2.gz MJKVCIDBPMTLBB-UHFFFAOYSA-N -1 1 375.337 3.504 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc(C(F)(F)F)c1 ZINC001259396685 1045120945 /nfs/dbraw/zinc/12/09/45/1045120945.db2.gz SEEFLJFUJAJDCJ-UHFFFAOYSA-N -1 1 383.376 3.988 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)c2ccccc2-3)ccc1F ZINC001259418886 1045138105 /nfs/dbraw/zinc/13/81/05/1045138105.db2.gz WKKUPPSZCMZIGA-UHFFFAOYSA-N -1 1 378.384 3.710 20 30 GHEDMM C=C[C@@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC001296141449 1045261458 /nfs/dbraw/zinc/26/14/58/1045261458.db2.gz JNGYWCYHTULPPX-KPZWWZAWSA-N -1 1 385.830 3.558 20 30 GHEDMM CC(C)(O)C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC001260313829 1045455510 /nfs/dbraw/zinc/45/55/10/1045455510.db2.gz JVZTZMHFDFQAQI-UHFFFAOYSA-N -1 1 384.284 3.917 20 30 GHEDMM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC001260354457 1045474374 /nfs/dbraw/zinc/47/43/74/1045474374.db2.gz JQSNRPIUFWSGDB-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM CCCC[C@H](ON=C(C)C)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001301963654 1046763708 /nfs/dbraw/zinc/76/37/08/1046763708.db2.gz LFDMKUZTAGBQNH-IBGZPJMESA-N -1 1 395.931 3.661 20 30 GHEDMM CCCCCCCCc1nnc([N-]C(=O)c2nn(-c3cccnc3)nc2C)s1 ZINC001264362355 1047332263 /nfs/dbraw/zinc/33/22/63/1047332263.db2.gz LRBPQGFJKGTNJI-UHFFFAOYSA-N -1 1 399.524 3.978 20 30 GHEDMM CCCCN(O)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC001306897206 1048950757 /nfs/dbraw/zinc/95/07/57/1048950757.db2.gz DAUKSYONMGBAAV-UHFFFAOYSA-N -1 1 376.478 3.736 20 30 GHEDMM Cc1cnc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC001342510557 1053207493 /nfs/dbraw/zinc/20/74/93/1053207493.db2.gz KHHAHNLWBQUQJN-ZDUSSCGKSA-N -1 1 378.457 3.778 20 30 GHEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCCC2(CC2)CC1 ZINC001343891843 1054096496 /nfs/dbraw/zinc/09/64/96/1054096496.db2.gz AXVPAOZDWCLRSG-UHFFFAOYSA-N -1 1 380.496 3.665 20 30 GHEDMM N#CC(=C([O-])c1ccn(CCC(F)(F)F)n1)c1nc2c(cccc2Cl)[nH]1 ZINC001344368070 1054389777 /nfs/dbraw/zinc/38/97/77/1054389777.db2.gz LBDZCJHHJNIXDY-VIFPVBQESA-N -1 1 381.745 3.855 20 30 GHEDMM CCCCCCOc1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001319269698 1055142829 /nfs/dbraw/zinc/14/28/29/1055142829.db2.gz KAVYUZAXLNADHH-UHFFFAOYSA-N -1 1 386.473 3.525 20 30 GHEDMM Cc1c2ccc3ccccc3c2oc1C(=O)N=C1[N-]S(=O)(=O)c2ccccc21 ZINC001322308607 1056619683 /nfs/dbraw/zinc/61/96/83/1056619683.db2.gz OPQQRTPVJWJEAI-UHFFFAOYSA-N -1 1 390.420 3.773 20 30 GHEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC[C@@H](c2ccn(C)n2)C1 ZINC001339037853 1058933302 /nfs/dbraw/zinc/93/33/02/1058933302.db2.gz WXDYTUPVSFTUMB-CQSZACIVSA-N -1 1 398.898 3.608 20 30 GHEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CC[C@@H](c2nccs2)C1 ZINC001339821586 1059501095 /nfs/dbraw/zinc/50/10/95/1059501095.db2.gz DHGGTEXQDYYAJM-GFCCVEGCSA-N -1 1 387.896 3.941 20 30 GHEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCO[C@H](c2ccco2)C1 ZINC001340533889 1059966923 /nfs/dbraw/zinc/96/69/23/1059966923.db2.gz DVYRAKDZENUNHB-KRWDZBQOSA-N -1 1 386.839 3.661 20 30 GHEDMM C#CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CCC1 ZINC001456087237 1062474367 /nfs/dbraw/zinc/47/43/67/1062474367.db2.gz SHZAZFAUWXIRAB-UHFFFAOYSA-N -1 1 396.512 3.780 20 30 GHEDMM C#C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC001456960461 1062931025 /nfs/dbraw/zinc/93/10/25/1062931025.db2.gz XDEHNQCONWIMDK-IBGZPJMESA-N -1 1 396.512 3.732 20 30 GHEDMM O=C(c1nn(-c2ccc(F)cc2)ccc1=O)N([O-])Cc1cccc2ccccc21 ZINC001458017463 1063509315 /nfs/dbraw/zinc/50/93/15/1063509315.db2.gz QVUUHXSPGKEZLO-UHFFFAOYSA-N -1 1 389.386 3.556 20 30 GHEDMM C=C(CC)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001546105390 1063979623 /nfs/dbraw/zinc/97/96/23/1063979623.db2.gz GGANPANSGGJYTN-UHFFFAOYSA-N -1 1 380.853 3.751 20 30 GHEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@H]1c1ccccc1 ZINC001351562404 1064516271 /nfs/dbraw/zinc/51/62/71/1064516271.db2.gz LUKGEPOMSPGVCU-SFHVURJKSA-N -1 1 388.475 3.846 20 30 GHEDMM COc1ccc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)c(C(F)(F)F)c1 ZINC001464650704 1065138179 /nfs/dbraw/zinc/13/81/79/1065138179.db2.gz VLXKCAAQSOIZNL-UHFFFAOYSA-N -1 1 384.304 3.994 20 30 GHEDMM C=C1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2Cl)CC1 ZINC001464845657 1065241459 /nfs/dbraw/zinc/24/14/59/1065241459.db2.gz FVHOTAZOJHCPFY-UHFFFAOYSA-N -1 1 390.892 3.933 20 30 GHEDMM C#C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(Br)cc1 ZINC001478895873 1079018490 /nfs/dbraw/zinc/01/84/90/1079018490.db2.gz HKFWJTUNCYHBRJ-HNNXBMFYSA-N -1 1 393.668 3.982 20 30 GHEDMM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(C(F)(F)F)nc1Cl ZINC001475321745 1074832381 /nfs/dbraw/zinc/83/23/81/1074832381.db2.gz UBVVDXBCBDTSCT-SSDOTTSWSA-N -1 1 395.815 3.726 20 30 GHEDMM N#Cc1cccc([C@H](NCc2cccc(NC(=O)C3CCCCC3)c2)C(=O)[O-])c1 ZINC000833075832 601303573 /nfs/dbraw/zinc/30/35/73/601303573.db2.gz NJKSYPNKXPIGJA-NRFANRHFSA-N -1 1 391.471 3.993 20 30 GHEDMM C=CCc1cc(CNCc2cccc3c2N(C(=O)[O-])CC3)cc(OC)c1OC ZINC000823522027 603859206 /nfs/dbraw/zinc/85/92/06/603859206.db2.gz PWPWBMZTRMIZGU-UHFFFAOYSA-N -1 1 382.460 3.763 20 30 GHEDMM Cc1cc(C)c2c(c1)C(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)CCCO2 ZINC000822195243 606838056 /nfs/dbraw/zinc/83/80/56/606838056.db2.gz LMBRDYGESFWAMQ-UHFFFAOYSA-N -1 1 395.467 3.758 20 30 GHEDMM O=C(C=Cc1ccc(F)c(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400786 608092348 /nfs/dbraw/zinc/09/23/48/608092348.db2.gz IGLKGDIENVBPPW-DUXPYHPUSA-N -1 1 379.214 3.726 20 30 GHEDMM O=C(C=Cc1ccc(F)c(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400786 608092349 /nfs/dbraw/zinc/09/23/49/608092349.db2.gz IGLKGDIENVBPPW-DUXPYHPUSA-N -1 1 379.214 3.726 20 30 GHEDMM COc1cccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)cs2)c1 ZINC000826213786 608093558 /nfs/dbraw/zinc/09/35/58/608093558.db2.gz MJOHYRZUHIPCNZ-AATRIKPKSA-N -1 1 395.469 3.956 20 30 GHEDMM COc1cccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)cs2)c1 ZINC000826213786 608093559 /nfs/dbraw/zinc/09/35/59/608093559.db2.gz MJOHYRZUHIPCNZ-AATRIKPKSA-N -1 1 395.469 3.956 20 30 GHEDMM COc1cccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)cs2)c1 ZINC000826213787 608093659 /nfs/dbraw/zinc/09/36/59/608093659.db2.gz MJOHYRZUHIPCNZ-WAYWQWQTSA-N -1 1 395.469 3.956 20 30 GHEDMM COc1cccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)cs2)c1 ZINC000826213787 608093660 /nfs/dbraw/zinc/09/36/60/608093660.db2.gz MJOHYRZUHIPCNZ-WAYWQWQTSA-N -1 1 395.469 3.956 20 30 GHEDMM CC(C)(C)c1cc([N-]C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)c(C#N)s1 ZINC000824131144 608348864 /nfs/dbraw/zinc/34/88/64/608348864.db2.gz UPAAOQUZOSWMAN-UHFFFAOYSA-N -1 1 388.403 3.628 20 30 GHEDMM C#CCCCCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823842266 609562108 /nfs/dbraw/zinc/56/21/08/609562108.db2.gz ZVDCTIZKFPRYLM-UHFFFAOYSA-N -1 1 379.489 3.795 20 30 GHEDMM N#CC(=C([O-])c1ccnn1C1CCOCC1)c1nc2cc(Cl)ccc2s1 ZINC000659052913 837395292 /nfs/dbraw/zinc/39/52/92/837395292.db2.gz LWSWBFJQQFEMDT-ZDUSSCGKSA-N -1 1 386.864 3.988 20 30 GHEDMM N#C[C@@H](C(=O)C=Cc1cncc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000255061575 837473027 /nfs/dbraw/zinc/47/30/27/837473027.db2.gz NQCDPGJQMIKXPX-GXMNPTEKSA-N -1 1 394.431 3.699 20 30 GHEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000510032517 834392414 /nfs/dbraw/zinc/39/24/14/834392414.db2.gz BTCLMDHWUCBNLJ-JTQLQIEISA-N -1 1 380.293 3.803 20 30 GHEDMM CCc1onc(C)c1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000255949805 837808278 /nfs/dbraw/zinc/80/82/78/837808278.db2.gz PQVSNUUWTSPEKE-UHFFFAOYSA-N -1 1 385.474 3.813 20 30 GHEDMM N#C[C@H](C(=O)C=Cc1cccc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362613 844192801 /nfs/dbraw/zinc/19/28/01/844192801.db2.gz YWMFAOKHQLCOJK-XVJNWHFHSA-N -1 1 393.443 3.892 20 30 GHEDMM N#C[C@H](C(=O)C=Cc1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362647 844193001 /nfs/dbraw/zinc/19/30/01/844193001.db2.gz RQBZNIBGQVOJGW-SBDDDAINSA-N -1 1 381.482 3.815 20 30 GHEDMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CC3)cc1C#N ZINC000655583112 837135152 /nfs/dbraw/zinc/13/51/52/837135152.db2.gz CDQCEHDBWYSWIL-UHFFFAOYSA-N -1 1 384.457 3.665 20 30 GHEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1C ZINC000177621165 838037797 /nfs/dbraw/zinc/03/77/97/838037797.db2.gz AHZZRDLPDQWCEQ-UHFFFAOYSA-N -1 1 397.378 3.645 20 30 GHEDMM C[C@@H](CC#N)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000103443277 838794261 /nfs/dbraw/zinc/79/42/61/838794261.db2.gz JTWYIBFEBNATJQ-ZDUSSCGKSA-N -1 1 391.880 3.515 20 30 GHEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000683858776 839227935 /nfs/dbraw/zinc/22/79/35/839227935.db2.gz CYJHGQXDMXDPOS-NRFANRHFSA-N -1 1 389.455 3.556 20 30 GHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccc(C)cc2OC)c(F)c1 ZINC000416939155 840294383 /nfs/dbraw/zinc/29/43/83/840294383.db2.gz MLGVQWBKRMCXEB-AWEZNQCLSA-N -1 1 378.425 3.979 20 30 GHEDMM N#CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CCC1 ZINC000134477609 841361709 /nfs/dbraw/zinc/36/17/09/841361709.db2.gz JQODMWVNMBFONH-UHFFFAOYSA-N -1 1 389.864 3.773 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)s2)c(=O)o1 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GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)o1 ZINC000553812969 868271274 /nfs/dbraw/zinc/27/12/74/868271274.db2.gz CXIYSZHYAXOJSS-NRFANRHFSA-N -1 1 394.452 3.544 20 30 GHEDMM CC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000524023311 868409921 /nfs/dbraw/zinc/40/99/21/868409921.db2.gz RGNGDEHOVAFICW-HXUWFJFHSA-N -1 1 385.489 3.526 20 30 GHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000524712761 869480303 /nfs/dbraw/zinc/48/03/03/869480303.db2.gz XTBANZIGPJAOKB-UHFFFAOYSA-N -1 1 396.472 3.738 20 30 GHEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000443189106 869584692 /nfs/dbraw/zinc/58/46/92/869584692.db2.gz AXYIUEBBVDTMQL-UHFFFAOYSA-N -1 1 381.251 3.520 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C#N)C(C)(C)C)c2)c1 ZINC000122112738 882420549 /nfs/dbraw/zinc/42/05/49/882420549.db2.gz HWVJHVLUOBAHHH-LJQANCHMSA-N -1 1 399.516 3.772 20 30 GHEDMM Cc1cc(C)cc(NC(=O)c2ccc(Cl)c([N-]S(=O)(=O)[C@@H](C)C#N)c2)c1 ZINC001193149086 870920225 /nfs/dbraw/zinc/92/02/25/870920225.db2.gz KNINMTXEUMEIRA-ZDUSSCGKSA-N -1 1 391.880 3.863 20 30 GHEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)C(C)(C)CCN2C(=O)OC(C)(C)C ZINC001193161793 870927638 /nfs/dbraw/zinc/92/76/38/870927638.db2.gz STIOLTVVDYWYGN-CYBMUJFWSA-N -1 1 393.509 3.763 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)ccc1C#N ZINC000766547862 871013804 /nfs/dbraw/zinc/01/38/04/871013804.db2.gz NSFQLBSABYEUDI-UHFFFAOYSA-N -1 1 379.441 3.642 20 30 GHEDMM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cccc(Cl)c3C#N)co2)cc1 ZINC000443322399 871046888 /nfs/dbraw/zinc/04/68/88/871046888.db2.gz SMFLLTUKGVEOOC-UHFFFAOYSA-N -1 1 387.848 3.654 20 30 GHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000462103848 871600473 /nfs/dbraw/zinc/60/04/73/871600473.db2.gz PHCCOCPWEVOQHN-UHFFFAOYSA-N -1 1 389.477 3.507 20 30 GHEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CCC#N)c2)cc1 ZINC000060617854 882549856 /nfs/dbraw/zinc/54/98/56/882549856.db2.gz KHKSTIQHOKXTPY-UHFFFAOYSA-N -1 1 399.516 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873023634 /nfs/dbraw/zinc/02/36/34/873023634.db2.gz ZJFAISSDNSJQPY-UHFFFAOYSA-N -1 1 383.411 3.843 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCOC[C@H]3c3cccnc3)c2)c1 ZINC001196319464 873028887 /nfs/dbraw/zinc/02/88/87/873028887.db2.gz UWYVBEGBUGYVCP-QFIPXVFZSA-N -1 1 385.423 3.540 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCC3(c4ccc(F)cn4)CC3)c2)c1 ZINC001196330335 873036059 /nfs/dbraw/zinc/03/60/59/873036059.db2.gz PHVGPLQDSOGUOH-UHFFFAOYSA-N -1 1 387.414 3.927 20 30 GHEDMM C=CCn1c(Cc2csc(NC(=O)Cc3cc(C)ccc3C)n2)n[n-]c1=S ZINC000102783726 873581970 /nfs/dbraw/zinc/58/19/70/873581970.db2.gz DIGSJENRUZTNEV-UHFFFAOYSA-N -1 1 399.545 3.972 20 30 GHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1C#N ZINC001197319802 873706917 /nfs/dbraw/zinc/70/69/17/873706917.db2.gz GMGVSMROYNCUNH-UHFFFAOYSA-N -1 1 390.262 3.610 20 30 GHEDMM CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1ccc([O-])c(Cl)c1 ZINC000921260246 882779770 /nfs/dbraw/zinc/77/97/70/882779770.db2.gz UEUUWZIAVUNRHQ-UHFFFAOYSA-N -1 1 381.885 3.568 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c([O-])c1 ZINC000769653288 874215570 /nfs/dbraw/zinc/21/55/70/874215570.db2.gz NKBUIVQGZWLTQP-MRXNPFEDSA-N -1 1 385.395 3.873 20 30 GHEDMM O=S1(=O)[N-]C(=NN=CCCCc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000769781830 874287131 /nfs/dbraw/zinc/28/71/31/874287131.db2.gz QFEQPYBDSHXPAW-UHFFFAOYSA-N -1 1 395.406 3.753 20 30 GHEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000769873774 874347118 /nfs/dbraw/zinc/34/71/18/874347118.db2.gz ZISPMMVGQABZFU-APPDUMDISA-N -1 1 399.369 3.705 20 30 GHEDMM CCOC(=O)C(=C([O-])CSc1cccc(Cl)c1C#N)c1nc(C)cs1 ZINC000542102503 874960335 /nfs/dbraw/zinc/96/03/35/874960335.db2.gz YIVITBJMHGCGDE-OAHLLOKOSA-N -1 1 394.905 3.985 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2C)cc1C#N ZINC001201320136 875630974 /nfs/dbraw/zinc/63/09/74/875630974.db2.gz PRXSQQBZXNTAMH-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000785502503 876078453 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C#C[C@H](CCC)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000791197465 880246772 /nfs/dbraw/zinc/24/67/72/880246772.db2.gz OPBPSZAIYMQDOO-GOSISDBHSA-N -1 1 384.501 3.636 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1OCC(F)(F)F ZINC000475786551 883803171 /nfs/dbraw/zinc/80/31/71/883803171.db2.gz LQQSYUKGNREPKZ-UHFFFAOYSA-N -1 1 384.379 3.803 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc(C)c1Br ZINC000475806306 884072123 /nfs/dbraw/zinc/07/21/23/884072123.db2.gz IBTGIRTUWUZMEH-UHFFFAOYSA-N -1 1 379.279 3.933 20 30 GHEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000116814872 884230736 /nfs/dbraw/zinc/23/07/36/884230736.db2.gz QUWMYADQLCWPLO-KKSFZXQISA-N -1 1 397.500 3.690 20 30 GHEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000914600266 884305678 /nfs/dbraw/zinc/30/56/78/884305678.db2.gz QMKWEESFPQRYHC-UHFFFAOYSA-N -1 1 382.272 3.846 20 30 GHEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(-c3ccccc3Cl)o2)c2ccccc21 ZINC000914599841 884306733 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GHEDMM C[C@H]1CCC[C@@H](C(=O)N([O-])C(=Nc2ccc(F)c(Cl)c2)c2nonc2N)C1 ZINC001184503827 913279264 /nfs/dbraw/zinc/27/92/64/913279264.db2.gz RCBQLDSJIAQBDO-VHSXEESVSA-N -1 1 395.822 3.567 20 30 GHEDMM CCOc1ccc(O)c(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1 ZINC000916368585 888947602 /nfs/dbraw/zinc/94/76/02/888947602.db2.gz ILKLJKJDLDVURO-UHFFFAOYSA-N -1 1 386.502 3.846 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(C(=O)OCc3ccccc3)cc2)c1 ZINC000811623157 889789499 /nfs/dbraw/zinc/78/94/99/889789499.db2.gz QTMTWXNKFDNIIV-UHFFFAOYSA-N -1 1 386.407 3.551 20 30 GHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cn(-c2ccccc2Br)nn1 ZINC000811692440 889900142 /nfs/dbraw/zinc/90/01/42/889900142.db2.gz ALKVXNZBFRLRIN-XYOKQWHBSA-N -1 1 382.217 3.558 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000123891886 891097810 /nfs/dbraw/zinc/09/78/10/891097810.db2.gz LSGWOUAXRXNGLK-UHFFFAOYSA-N -1 1 388.489 3.541 20 30 GHEDMM CC[C@@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000127530639 891113091 /nfs/dbraw/zinc/11/30/91/891113091.db2.gz RSFMDTSQUGPOGQ-FQEVSTJZSA-N -1 1 385.489 3.526 20 30 GHEDMM C=CCn1c(-c2sc(NC(=O)[C@H]3Cc4ccccc4O3)nc2C)n[n-]c1=S ZINC000248046964 891407522 /nfs/dbraw/zinc/40/75/22/891407522.db2.gz QWCYOMCPFRNEFA-CYBMUJFWSA-N -1 1 399.501 3.501 20 30 GHEDMM N#CCOc1cccc(NC(=O)c2c([O-])cnc3c(Br)cccc32)c1 ZINC000813412901 891591017 /nfs/dbraw/zinc/59/10/17/891591017.db2.gz GRFYJFBDPVJEOT-UHFFFAOYSA-N -1 1 398.216 3.858 20 30 GHEDMM N#Cc1ccc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)o1 ZINC000815552451 893990547 /nfs/dbraw/zinc/99/05/47/893990547.db2.gz BKPGNYHOKVPCOS-UHFFFAOYSA-N -1 1 375.207 3.685 20 30 GHEDMM C[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000878399215 894260165 /nfs/dbraw/zinc/26/01/65/894260165.db2.gz PGVLXWVYXPLZJN-OAHLLOKOSA-N -1 1 386.455 3.644 20 30 GHEDMM CO[C@@H]1CCC[C@H](C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000815899174 894302111 /nfs/dbraw/zinc/30/21/11/894302111.db2.gz HYESUIPUFZIAHZ-SCRDCRAPSA-N -1 1 385.489 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CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc2C[C@@H]1C ZINC000026547915 886033989 /nfs/dbraw/zinc/03/39/89/886033989.db2.gz MELQZJKHKPVCFI-AWEZNQCLSA-N -1 1 397.500 3.586 20 30 GHEDMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809647035 887653327 /nfs/dbraw/zinc/65/33/27/887653327.db2.gz LFBOUQDGKDGVSH-VQIMIIECSA-N -1 1 399.491 3.516 20 30 GHEDMM C=C(C)COc1cccc(NC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810177882 888261379 /nfs/dbraw/zinc/26/13/79/888261379.db2.gz YNRSDOIVVVMWMC-AWEZNQCLSA-N -1 1 399.413 3.564 20 30 GHEDMM CCS[C@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C(C)C ZINC000067600661 888353820 /nfs/dbraw/zinc/35/38/20/888353820.db2.gz FTFSXDAJJVATSG-LRDDRELGSA-N -1 1 389.546 3.817 20 30 GHEDMM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000496359760 888734890 /nfs/dbraw/zinc/73/48/90/888734890.db2.gz UIMZPADASLIPIC-OAHLLOKOSA-N -1 1 379.370 3.859 20 30 GHEDMM Cc1nc2sccn2c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000916368631 888946915 /nfs/dbraw/zinc/94/69/15/888946915.db2.gz KPSOUJKKPARQBL-UHFFFAOYSA-N -1 1 386.531 3.759 20 30 GHEDMM Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc(C(=O)[O-])cn2)o1 ZINC000763370530 888975895 /nfs/dbraw/zinc/97/58/95/888975895.db2.gz QSUFBPPCFZNGGX-UHFFFAOYSA-N -1 1 387.399 3.980 20 30 GHEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1F ZINC001184804683 913416826 /nfs/dbraw/zinc/41/68/26/913416826.db2.gz XKFVGAHNVYMFBE-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cn3cccn3)o2)cc1 ZINC000916950139 890622495 /nfs/dbraw/zinc/62/24/95/890622495.db2.gz RCVXLEXLBLVIKG-HNAYVOBHSA-N -1 1 390.443 3.999 20 30 GHEDMM COc1ccc(Nc2nc(Cl)c(C=NNc3nc(C)cc(=O)[n-]3)s2)cc1 ZINC000917022614 890755552 /nfs/dbraw/zinc/75/55/52/890755552.db2.gz ONMIXCWGBSBROS-UHFFFAOYSA-N -1 1 390.856 3.799 20 30 GHEDMM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)c1ccc(Cl)cc1 ZINC001212072818 891626008 /nfs/dbraw/zinc/62/60/08/891626008.db2.gz VXIRAKDCOVRJBB-ZDUSSCGKSA-N -1 1 376.211 3.924 20 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397.500 3.759 20 30 GHEDMM C=CCc1c(F)c(F)c(C(=O)[N-]c2cccc3c2C(=O)N=NC3=O)c(F)c1F ZINC001186730290 914749772 /nfs/dbraw/zinc/74/97/72/914749772.db2.gz ANTWPYWTYDVKJN-UHFFFAOYSA-N -1 1 391.280 3.970 20 30 GHEDMM COc1c([O-])c(C=NOCc2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000773074951 904413650 /nfs/dbraw/zinc/41/36/50/904413650.db2.gz RULKUASKYCFUTP-UHFFFAOYSA-N -1 1 399.172 3.761 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)ccc1C#N ZINC000775053313 914823755 /nfs/dbraw/zinc/82/37/55/914823755.db2.gz ZBGKBTZRPOIGBX-UHFFFAOYSA-N -1 1 377.416 3.546 20 30 GHEDMM Cc1ccc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)cc1C#N ZINC001177354765 908550366 /nfs/dbraw/zinc/55/03/66/908550366.db2.gz ZRKJBTIXNDKDLM-UHFFFAOYSA-N -1 1 396.244 3.813 20 30 GHEDMM C[C@H](CC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)C(F)(F)F ZINC001180082325 909936280 /nfs/dbraw/zinc/93/62/80/909936280.db2.gz CNDZKMDAKBSPBF-GCYXGZDWSA-N -1 1 384.383 3.749 20 30 GHEDMM CCCCCCC[C@H](C)C(=O)Nc1cccc2c(=O)cc(-c3nn[n-]n3)oc12 ZINC001181120059 910554956 /nfs/dbraw/zinc/55/49/56/910554956.db2.gz FSYYXPHTOAYAQW-ZDUSSCGKSA-N -1 1 383.452 3.908 20 30 GHEDMM CCS(=O)(=O)c1c(Cl)cccc1/C=C1\Oc2cc([O-])cc(C)c2C1=O ZINC000774119292 911411113 /nfs/dbraw/zinc/41/11/13/911411113.db2.gz LOLUJMQMBSRRNU-NVNXTCNLSA-N -1 1 378.833 3.764 20 30 GHEDMM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC001187003987 914970421 /nfs/dbraw/zinc/97/04/21/914970421.db2.gz KVMPSHOSXLWCAS-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM CSc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000647181134 915073029 /nfs/dbraw/zinc/07/30/29/915073029.db2.gz LDCDGQCDIISKII-LLVKDONJSA-N -1 1 396.497 3.883 20 30 GHEDMM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(Oc2cccnc2)cc1 ZINC001188894249 916282430 /nfs/dbraw/zinc/28/24/30/916282430.db2.gz KQTKDYDRWKRYON-UHFFFAOYSA-N -1 1 383.404 3.994 20 30 GHEDMM N#Cc1ccc(NC(=O)c2sc(Br)nc2C(F)(F)F)c([O-])c1 ZINC001189662147 916821312 /nfs/dbraw/zinc/82/13/12/916821312.db2.gz RJZFDFPIJLWIDV-UHFFFAOYSA-N -1 1 392.156 3.754 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(F)c1F ZINC001190325932 917258348 /nfs/dbraw/zinc/25/83/48/917258348.db2.gz SHMWDSGUWDRGBK-UHFFFAOYSA-N -1 1 380.269 3.795 20 30 GHEDMM CC1(C)CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001190612054 917447803 /nfs/dbraw/zinc/44/78/03/917447803.db2.gz LFWMLAQDAPPTET-NSHDSACASA-N -1 1 389.290 3.564 20 30 GHEDMM Cc1cc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1Br ZINC001190648217 917476472 /nfs/dbraw/zinc/47/64/72/917476472.db2.gz WVIMAQGBPVUCLQ-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM CSc1ncc(C(=O)N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)c(=O)[n-]1 ZINC001191438120 918003406 /nfs/dbraw/zinc/00/34/06/918003406.db2.gz QRZCTQWUTDPQGG-CYBMUJFWSA-N -1 1 383.473 3.744 20 30 GHEDMM Cc1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000296691300 918589732 /nfs/dbraw/zinc/58/97/32/918589732.db2.gz AHSVADXFUXEYBR-OAHLLOKOSA-N -1 1 386.477 3.562 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)c1 ZINC000116160305 919499746 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COc1ccc([C@@H]2CC(=O)c3c(O[C@@H]4CC[C@H](C#N)C4)cc([O-])cc3O2)cc1O ZINC001227556112 1032463090 /nfs/dbraw/zinc/46/30/90/1032463090.db2.gz ALWGFZBDAJJLJF-HGQUKEQDSA-N -1 1 395.411 3.884 20 30 GHEDMM C#C[C@@H]1CCC[C@@H]1Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(OC)c(O)c1)O2 ZINC001227560495 1032464840 /nfs/dbraw/zinc/46/48/40/1032464840.db2.gz DRGUJEOPEWFVAK-MJWYBRSISA-N -1 1 394.423 3.994 20 30 GHEDMM [O-]N=C(Nc1nc(Cl)nc2cccnc21)c1ccc(OC(F)(F)F)cc1 ZINC001155908854 1032782595 /nfs/dbraw/zinc/78/25/95/1032782595.db2.gz CKBQLFSJZRSZNG-UHFFFAOYSA-N -1 1 383.717 3.825 20 30 GHEDMM Cc1cc(C)n(Cc2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2)n1 ZINC000190904764 1020742726 /nfs/dbraw/zinc/74/27/26/1020742726.db2.gz IODVAMDXWHBADG-IBGZPJMESA-N -1 1 381.439 3.982 20 30 GHEDMM Cc1cnccc1C=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000835039683 1021797398 /nfs/dbraw/zinc/79/73/98/1021797398.db2.gz INVWQYVTTNGODM-LQYUOIDQSA-N -1 1 390.468 3.869 20 30 GHEDMM CC1(C=CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CCOCC1 ZINC000835041342 1021799134 /nfs/dbraw/zinc/79/91/34/1021799134.db2.gz WXWYNUKQUIVZSL-PSKZRQQASA-N -1 1 397.500 3.825 20 30 GHEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000755891514 1023424222 /nfs/dbraw/zinc/42/42/22/1023424222.db2.gz IDPAWKNWMHCGIT-UHFFFAOYSA-N -1 1 388.232 3.604 20 30 GHEDMM O=C(C#Cc1cccs1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC001141675752 1026231921 /nfs/dbraw/zinc/23/19/21/1026231921.db2.gz ZUANSEAJPCEMEZ-UHFFFAOYSA-N -1 1 382.466 3.539 20 30 GHEDMM CCc1nc(Cl)c(F)c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001163766044 1026308862 /nfs/dbraw/zinc/30/88/62/1026308862.db2.gz RRMMZELFQONPQW-UHFFFAOYSA-N -1 1 378.713 3.978 20 30 GHEDMM COc1c(F)cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC001163768767 1026310272 /nfs/dbraw/zinc/31/02/72/1026310272.db2.gz CRIIVICQOWZEAI-UHFFFAOYSA-N -1 1 389.261 3.889 20 30 GHEDMM COC(=O)c1cc(-c2nc(-c3ccc(Oc4ccc(C#N)cc4)cc3)no2)[n-]n1 ZINC001213461707 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CSGOQDWEVQPBNN-GFCCVEGCSA-N -1 1 388.376 3.577 20 30 GHEDMM C=C(C)C(=O)OC[C@H](C)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)cc1)O2 ZINC001226497052 1031984324 /nfs/dbraw/zinc/98/43/24/1031984324.db2.gz LGJXJIQWVQPNHB-SCLBCKFNSA-N -1 1 398.411 3.691 20 30 GHEDMM C=C[C@@H]1O[C@@H](Oc2cc([O-])ccc2C(=O)Cc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001229263313 1033375685 /nfs/dbraw/zinc/37/56/85/1033375685.db2.gz BJRLRAUBUPRXSQ-QESAQDPVSA-N -1 1 396.439 3.627 20 30 GHEDMM CCOC(=O)[C@H](Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)cc1)C1CC1 ZINC001229269935 1033382258 /nfs/dbraw/zinc/38/22/58/1033382258.db2.gz LDRIGFYCVFMFKD-RRIMADAKSA-N -1 1 382.412 3.714 20 30 GHEDMM COc1cc(OC(=O)CCC[C@H](C)O)ccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC001230166005 1033926394 /nfs/dbraw/zinc/92/63/94/1033926394.db2.gz GJGWUXNWRRSLRT-GLNPCMGASA-N -1 1 384.428 3.753 20 30 GHEDMM CC[C@@H](COc1c(Br)cc(Br)cc1C=N[O-])OC ZINC001231323049 1034518109 /nfs/dbraw/zinc/51/81/09/1034518109.db2.gz PACIRLMNBPWNBJ-JTQLQIEISA-N -1 1 381.064 3.824 20 30 GHEDMM 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C=CCOc1ccc(C(F)(F)F)cc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001323104077 1056923007 /nfs/dbraw/zinc/92/30/07/1056923007.db2.gz CADHWRIHBCSJKZ-UHFFFAOYSA-N -1 1 396.317 3.721 20 30 GHEDMM C#C[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)C1 ZINC000848290820 1056976017 /nfs/dbraw/zinc/97/60/17/1056976017.db2.gz HBDJYXUENYVBLV-SFHVURJKSA-N -1 1 396.512 3.590 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cnc1N1CCCC[C@H]1C ZINC001323583775 1056988180 /nfs/dbraw/zinc/98/81/80/1056988180.db2.gz VMYMAPCHHHWHED-MRXNPFEDSA-N -1 1 384.505 3.636 20 30 GHEDMM CC[C@H](C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440384749 1058508998 /nfs/dbraw/zinc/50/89/98/1058508998.db2.gz KRSXPSIWMYVWSB-CYBMUJFWSA-N -1 1 391.880 3.938 20 30 GHEDMM O=C(C#Cc1cccs1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001441351824 1058758589 /nfs/dbraw/zinc/75/85/89/1058758589.db2.gz ZWQRNPVKSCNSIJ-UHFFFAOYSA-N -1 1 382.466 3.539 20 30 GHEDMM N#Cc1ccc(Br)nc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001339626943 1059356013 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N#Cc1cc(F)cc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC001471133422 1072935668 /nfs/dbraw/zinc/93/56/68/1072935668.db2.gz MPNRLVYSFPLPGF-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM C#CC1([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CCCC1 ZINC001475618536 1074928801 /nfs/dbraw/zinc/92/88/01/1074928801.db2.gz VZWSWAIQPLHABI-UHFFFAOYSA-N -1 1 397.121 3.980 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3(C#N)CCCC3)c2)c1 ZINC000067508645 205249572 /nfs/dbraw/zinc/24/95/72/205249572.db2.gz NQORFHZKNJUBTG-UHFFFAOYSA-N -1 1 397.500 3.670 20 30 GHEDMM O=C([O-])c1ccsc1N1CC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1=O ZINC000833335952 601177837 /nfs/dbraw/zinc/17/78/37/601177837.db2.gz HFNGXXJNFFVMEY-WOVPGWDMSA-N -1 1 399.255 3.683 20 30 GHEDMM C=CCc1cc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc(OC)c1O ZINC000833379733 604673489 /nfs/dbraw/zinc/67/34/89/604673489.db2.gz LLZGMMCNFCILOB-SFHVURJKSA-N -1 1 395.377 3.804 20 30 GHEDMM C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833378943 604928224 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CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(Cl)c(F)c2)o1 ZINC000823962238 608228090 /nfs/dbraw/zinc/22/80/90/608228090.db2.gz HYJUYELEWUNYIE-UHFFFAOYSA-N -1 1 377.811 3.682 20 30 GHEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000063443844 837496750 /nfs/dbraw/zinc/49/67/50/837496750.db2.gz UPFHXKXTVZMQKM-UHFFFAOYSA-N -1 1 384.244 3.624 20 30 GHEDMM N#Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1[O-] ZINC000188754088 837548973 /nfs/dbraw/zinc/54/89/73/837548973.db2.gz OFAYTFUCAQYCLF-UHFFFAOYSA-N -1 1 389.386 3.585 20 30 GHEDMM CCc1ccc(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nc1 ZINC000892423727 835477940 /nfs/dbraw/zinc/47/79/40/835477940.db2.gz ILUPGKJNGJYBCB-OAHLLOKOSA-N -1 1 392.484 3.652 20 30 GHEDMM N#C[C@@H](C(=O)[C@@H]1CCOC2(CCC2)C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000892425676 835496322 /nfs/dbraw/zinc/49/63/22/835496322.db2.gz ZNIOAOZUARUPNI-OCCSQVGLSA-N -1 1 397.500 3.801 20 30 GHEDMM CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177621020 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CCCC(CCc1ccccc1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000740761756 865988645 /nfs/dbraw/zinc/98/86/45/865988645.db2.gz JQPDXBAHFIEZQD-UHFFFAOYSA-N -1 1 389.477 3.803 20 30 GHEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000539948399 870060235 /nfs/dbraw/zinc/06/02/35/870060235.db2.gz HUXQAOUDJDRIKB-ZDUSSCGKSA-N -1 1 376.306 3.527 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)ccc1C#N ZINC000446792136 870371227 /nfs/dbraw/zinc/37/12/27/870371227.db2.gz XCPCYDPOHINDRL-UHFFFAOYSA-N -1 1 380.473 3.744 20 30 GHEDMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C#N)c1F ZINC001192487966 870462653 /nfs/dbraw/zinc/46/26/53/870462653.db2.gz FIXZNLZNHOTKAS-UHFFFAOYSA-N -1 1 399.241 3.659 20 30 GHEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000525367240 870510355 /nfs/dbraw/zinc/51/03/55/870510355.db2.gz AEBVSMCJFDQEBV-HNNXBMFYSA-N -1 1 385.489 3.504 20 30 GHEDMM CSc1ccc(C(=O)NC(=N[O-])c2ccc(OC(F)(F)F)cc2)s1 ZINC001192649572 870557864 /nfs/dbraw/zinc/55/78/64/870557864.db2.gz CMZHNASEMWUUFE-UHFFFAOYSA-N -1 1 376.381 3.934 20 30 GHEDMM N#Cc1cc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000746481643 870845452 /nfs/dbraw/zinc/84/54/52/870845452.db2.gz KZFOQHKVKNHPNN-UHFFFAOYSA-N -1 1 381.131 3.934 20 30 GHEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000443318797 871071394 /nfs/dbraw/zinc/07/13/94/871071394.db2.gz HRGUBNBCOUSVAK-IBGZPJMESA-N -1 1 378.819 3.569 20 30 GHEDMM C=CCN(C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1)C1CC1 ZINC000539092661 871295593 /nfs/dbraw/zinc/29/55/93/871295593.db2.gz DEXGJWCIJYNORI-UHFFFAOYSA-N -1 1 388.464 3.726 20 30 GHEDMM CSc1cncc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1 ZINC001194083634 871479384 /nfs/dbraw/zinc/47/93/84/871479384.db2.gz QKSKNLCEQKUYGR-DNTJNYDQSA-N -1 1 397.485 3.591 20 30 GHEDMM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)nc2)cc1 ZINC000618958087 872174437 /nfs/dbraw/zinc/17/44/37/872174437.db2.gz QXHQNILGDCDSDL-UHFFFAOYSA-N -1 1 394.456 3.612 20 30 GHEDMM C#CCC(C)(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000767294207 872383114 /nfs/dbraw/zinc/38/31/14/872383114.db2.gz AOFBPQOISQIPTE-UHFFFAOYSA-N -1 1 392.427 3.754 20 30 GHEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2F)CC1 ZINC001195444916 872392645 /nfs/dbraw/zinc/39/26/45/872392645.db2.gz DDQLZWCMSIXZKF-DTORHVGOSA-N -1 1 395.681 3.602 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cccnc3-n3cccn3)c2)c1 ZINC001196296759 873022141 /nfs/dbraw/zinc/02/21/41/873022141.db2.gz FHAZLVYHSZGDJR-UHFFFAOYSA-N -1 1 381.395 3.764 20 30 GHEDMM CC(C)(F)c1ncncc1CNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196330637 873035786 /nfs/dbraw/zinc/03/57/86/873035786.db2.gz YCKRMPGGMIDQJA-UHFFFAOYSA-N -1 1 390.418 3.855 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCC3(C#N)CCC3)ccc2C)cc1 ZINC000768099242 873078834 /nfs/dbraw/zinc/07/88/34/873078834.db2.gz NZZGAVDUDOPEQB-UHFFFAOYSA-N -1 1 398.484 3.955 20 30 GHEDMM COc1cccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2cccc(Cl)c2)c1OC ZINC000768155310 873118609 /nfs/dbraw/zinc/11/86/09/873118609.db2.gz DPMHINRMHRHODX-CQSZACIVSA-N -1 1 380.778 3.830 20 30 GHEDMM Cc1onc(-c2ccc(O)cc2)c1C(=O)[N-]c1c(C#N)cnnc1-c1ccccc1 ZINC001196585194 873242955 /nfs/dbraw/zinc/24/29/55/873242955.db2.gz STXKNISTELEBDZ-UHFFFAOYSA-N -1 1 397.394 3.937 20 30 GHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ncccc3F)n2)cc1 ZINC000768781168 873574605 /nfs/dbraw/zinc/57/46/05/873574605.db2.gz NHVMPEQXRYCXCP-CQSZACIVSA-N -1 1 394.431 3.868 20 30 GHEDMM N#Cc1ccc(CN2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1F ZINC001197070154 873576634 /nfs/dbraw/zinc/57/66/34/873576634.db2.gz TVCWBOUUMUGHOK-HNNXBMFYSA-N -1 1 391.368 3.870 20 30 GHEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)c1 ZINC001197311065 873699206 /nfs/dbraw/zinc/69/92/06/873699206.db2.gz TYFVEKQRDGBOFN-UHFFFAOYSA-N -1 1 383.292 3.843 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCC3)ccc1Br ZINC001197278097 873708089 /nfs/dbraw/zinc/70/80/89/873708089.db2.gz YFIYVKSEKKBGCQ-UHFFFAOYSA-N -1 1 377.263 3.610 20 30 GHEDMM [O-]c1ccc(C=NN2C(=S)N=NC2COc2ccc(F)cc2)cc1Cl ZINC000921257811 882778830 /nfs/dbraw/zinc/77/88/30/882778830.db2.gz VCGOQQGYVSIJPP-UHFFFAOYSA-N -1 1 378.816 3.526 20 30 GHEDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000491571920 875813650 /nfs/dbraw/zinc/81/36/50/875813650.db2.gz IXIUOAUCOMKZCB-UHFFFAOYSA-N -1 1 399.350 3.903 20 30 GHEDMM COc1ccccc1NC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001202117714 876008356 /nfs/dbraw/zinc/00/83/56/876008356.db2.gz YHJAQBKZWONOJF-RGVLZGJSSA-N -1 1 395.444 3.874 20 30 GHEDMM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785566109 876132524 /nfs/dbraw/zinc/13/25/24/876132524.db2.gz FDNCXKIIHGXNPW-MSOLQXFVSA-N -1 1 399.491 3.516 20 30 GHEDMM C=CCn1c(Cc2csc(NC(=O)c3c(C)oc(C)c3C)n2)n[n-]c1=S ZINC000030689390 876726302 /nfs/dbraw/zinc/72/63/02/876726302.db2.gz ZIUFNRLZUSDNJC-UHFFFAOYSA-N -1 1 389.506 3.945 20 30 GHEDMM C[C@H](CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)[C@H]1CCCO1 ZINC000850740559 877134469 /nfs/dbraw/zinc/13/44/69/877134469.db2.gz XXAFFHLZEGQMPN-OSAQELSMSA-N -1 1 385.489 3.657 20 30 GHEDMM CC[C@H](CC#N)OC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000787089744 877140082 /nfs/dbraw/zinc/14/00/82/877140082.db2.gz WGBSTYPZIMZYNF-GOSISDBHSA-N -1 1 386.473 3.953 20 30 GHEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2Cl)n1 ZINC000776515688 877410749 /nfs/dbraw/zinc/41/07/49/877410749.db2.gz JBYGWEXLWKGSRM-CYBMUJFWSA-N -1 1 395.802 3.965 20 30 GHEDMM Cc1ccc2nc(C=Nn3c(=S)[n-]nc3SCc3ccccc3)cn2c1 ZINC000788980611 878526068 /nfs/dbraw/zinc/52/60/68/878526068.db2.gz JSTMRFVSKAFTFW-UHFFFAOYSA-N -1 1 380.502 3.697 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(C)(C)C#N)cc2)cc1C ZINC000180130865 878542302 /nfs/dbraw/zinc/54/23/02/878542302.db2.gz JPCIDIULLLTVRK-UHFFFAOYSA-N -1 1 386.473 3.811 20 30 GHEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NC2CC(CF)(CF)C2)cc1 ZINC000853300631 878959610 /nfs/dbraw/zinc/95/96/10/878959610.db2.gz WWVQCEYVOQMCML-UHFFFAOYSA-N -1 1 379.432 3.975 20 30 GHEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000538515939 879642602 /nfs/dbraw/zinc/64/26/02/879642602.db2.gz YRQYPTNMCPYONS-INIZCTEOSA-N -1 1 384.505 3.843 20 30 GHEDMM C=C(C)CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000183055599 880054789 /nfs/dbraw/zinc/05/47/89/880054789.db2.gz FTAGPLYBVLFBTK-UHFFFAOYSA-N -1 1 388.489 3.534 20 30 GHEDMM CC(C)Oc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000531555937 880062028 /nfs/dbraw/zinc/06/20/28/880062028.db2.gz JHPLYICRFLFFIR-GFCCVEGCSA-N -1 1 380.416 3.663 20 30 GHEDMM C#C[C@H](CCC)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000791201626 880249486 /nfs/dbraw/zinc/24/94/86/880249486.db2.gz JHLPJZMFMOVUGP-GOSISDBHSA-N -1 1 384.501 3.636 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCCc2ccc(C#N)cc2)c([O-])c1 ZINC000855225789 880370355 /nfs/dbraw/zinc/37/03/55/880370355.db2.gz SRKGUXKOVRMGNW-UHFFFAOYSA-N -1 1 381.432 3.583 20 30 GHEDMM C=CCn1c([C@@H]2CC[C@H](C)O2)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000453413140 880878506 /nfs/dbraw/zinc/87/85/06/880878506.db2.gz JZJSHTMQIMEGEG-IHETXDGRSA-N -1 1 390.915 3.968 20 30 GHEDMM C=C[C@@](C)(CC)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170709 881008932 /nfs/dbraw/zinc/00/89/32/881008932.db2.gz KJATXXYXYZSWOF-MDZRGWNJSA-N -1 1 382.426 3.652 20 30 GHEDMM N#CCCCCCC(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170767 881009119 /nfs/dbraw/zinc/00/91/19/881009119.db2.gz CZYQKKCBNJUXQD-IAGOWNOFSA-N -1 1 395.425 3.524 20 30 GHEDMM CC(C)(C)C(=O)Nc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000453562521 881011804 /nfs/dbraw/zinc/01/18/04/881011804.db2.gz BWSGTHDVKOQFDP-CYBMUJFWSA-N -1 1 390.365 3.970 20 30 GHEDMM CC(C)(C)C(=O)Nc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000453562523 881012070 /nfs/dbraw/zinc/01/20/70/881012070.db2.gz BWSGTHDVKOQFDP-ZDUSSCGKSA-N -1 1 390.365 3.970 20 30 GHEDMM N#Cc1cccc(-c2cc(C(F)(F)F)cnc2Nc2[n-]c(=O)nc3nc[nH]c32)c1 ZINC001170227262 881265972 /nfs/dbraw/zinc/26/59/72/881265972.db2.gz JDKAADWAUKXYLI-UHFFFAOYSA-N -1 1 397.320 3.755 20 30 GHEDMM COc1ccc2[nH]cc(C3CCN(C(=O)c4ccc(C#N)c([O-])c4)CC3)c2c1 ZINC000190990853 883543763 /nfs/dbraw/zinc/54/37/63/883543763.db2.gz SDRXBTDIFWXHGS-UHFFFAOYSA-N -1 1 375.428 3.774 20 30 GHEDMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)[nH]n2)cc1C ZINC000153171429 912780911 /nfs/dbraw/zinc/78/09/11/912780911.db2.gz CYEWAOJZGNPOMA-UHFFFAOYSA-N -1 1 380.473 3.869 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(NCC(F)(F)F)c1 ZINC000475811702 884131612 /nfs/dbraw/zinc/13/16/12/884131612.db2.gz OVFOFGRZNCLOCV-UHFFFAOYSA-N -1 1 387.358 3.667 20 30 GHEDMM N#Cc1ccc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000194859900 885178111 /nfs/dbraw/zinc/17/81/11/885178111.db2.gz ZHIWSNLFOUZWDR-UHFFFAOYSA-N -1 1 391.452 3.540 20 30 GHEDMM CCc1cc2c(COC(=O)c3ccc(C4(C#N)CC4)cc3)cc(=O)oc2cc1[O-] ZINC000777178286 885400298 /nfs/dbraw/zinc/40/02/98/885400298.db2.gz VQFRRFHOMYSOQH-UHFFFAOYSA-N -1 1 389.407 3.973 20 30 GHEDMM C=CCCCC(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000807855243 885784090 /nfs/dbraw/zinc/78/40/90/885784090.db2.gz VWVSJZIRTKWXRU-YJBOKZPZSA-N -1 1 398.425 3.762 20 30 GHEDMM COc1ccc(C(Cc2ccccn2)N=Nc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000807981743 885904746 /nfs/dbraw/zinc/90/47/46/885904746.db2.gz MNVJNRBXODOYNW-UHFFFAOYSA-N -1 1 391.427 3.856 20 30 GHEDMM CN(C)c1cc(Br)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000498979057 886237809 /nfs/dbraw/zinc/23/78/09/886237809.db2.gz MQCMAMXSGLDHMV-OAHLLOKOSA-N -1 1 395.260 3.948 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1N1CCCC1 ZINC000762574593 886425467 /nfs/dbraw/zinc/42/54/67/886425467.db2.gz OGWGFWLARNHRRW-UHFFFAOYSA-N -1 1 375.881 3.921 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O[C@@H](C)CC)cc2)c1 ZINC000057123654 886472748 /nfs/dbraw/zinc/47/27/48/886472748.db2.gz PPAXZWSJDKNCNL-HNNXBMFYSA-N -1 1 388.489 3.581 20 30 GHEDMM CC(C)(C)OC(=O)Nc1cc(C#N)ccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000863446749 887117043 /nfs/dbraw/zinc/11/70/43/887117043.db2.gz BMPMVDSVGKDEID-UHFFFAOYSA-N -1 1 387.461 3.847 20 30 GHEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](C#N)C2CCCCC2)cc1 ZINC000176631791 887200990 /nfs/dbraw/zinc/20/09/90/887200990.db2.gz KXXRTQRAVQTLRC-KRWDZBQOSA-N -1 1 383.521 3.895 20 30 GHEDMM CN(C)c1ccc(NC(=S)NN=Cc2cccc(Br)c2[O-])cc1 ZINC000729636698 887384067 /nfs/dbraw/zinc/38/40/67/887384067.db2.gz NJNVZRFSQLNXQB-UHFFFAOYSA-N -1 1 393.310 3.541 20 30 GHEDMM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC001184339499 913158362 /nfs/dbraw/zinc/15/83/62/913158362.db2.gz FWSDIPPUYPVTGC-SFHVURJKSA-N -1 1 388.439 3.763 20 30 GHEDMM C=C(C)COc1cccc(NC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000810177884 888260431 /nfs/dbraw/zinc/26/04/31/888260431.db2.gz YNRSDOIVVVMWMC-CQSZACIVSA-N -1 1 399.413 3.564 20 30 GHEDMM C#Cc1ccccc1CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000810520465 888588056 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20 30 GHEDMM C=CCCCn1c(COCC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001286705948 1048464652 /nfs/dbraw/zinc/46/46/52/1048464652.db2.gz KOWSUNHGUULZNM-UHFFFAOYSA-N -1 1 398.507 3.586 20 30 GHEDMM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC001306878640 1048940214 /nfs/dbraw/zinc/94/02/14/1048940214.db2.gz PQWYRPUFFLUVLI-UHFFFAOYSA-N -1 1 398.072 3.717 20 30 GHEDMM Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(Sc3c(C)[nH][n-]c3=O)n2)o1 ZINC001307304909 1049191951 /nfs/dbraw/zinc/19/19/51/1049191951.db2.gz FSFQLNFUXLYHRK-CYBMUJFWSA-N -1 1 380.351 3.507 20 30 GHEDMM CC(C)[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001309384613 1050664483 /nfs/dbraw/zinc/66/44/83/1050664483.db2.gz IVAQEIOOLIZWPQ-FXAWDEMLSA-N -1 1 399.472 3.704 20 30 GHEDMM C#CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCCCC1 ZINC001309889968 1051026181 /nfs/dbraw/zinc/02/61/81/1051026181.db2.gz BOFMKPWOIHKWCT-UHFFFAOYSA-N -1 1 391.276 3.906 20 30 GHEDMM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(F)cc(F)c1[O-] 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ICRJNIKDBVAHQB-UHFFFAOYSA-N -1 1 398.260 3.965 20 30 GHEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC001475134043 1074751445 /nfs/dbraw/zinc/75/14/45/1074751445.db2.gz RMSLAZCGSRVEJQ-MYODQAERSA-N -1 1 384.445 3.613 20 30 GHEDMM C=C1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1 ZINC000735402409 598512869 /nfs/dbraw/zinc/51/28/69/598512869.db2.gz AEXNYOYNWYEFGU-UHFFFAOYSA-N -1 1 379.395 3.590 20 30 GHEDMM C=C1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1 ZINC000735402409 598512871 /nfs/dbraw/zinc/51/28/71/598512871.db2.gz AEXNYOYNWYEFGU-UHFFFAOYSA-N -1 1 379.395 3.590 20 30 GHEDMM COc1cccc(Oc2ccc(CN[C@@H](C(=O)[O-])c3cccc(C#N)c3)cn2)c1 ZINC000832572630 601302208 /nfs/dbraw/zinc/30/22/08/601302208.db2.gz GRCPMXYHNVKVNI-OAQYLSRUSA-N -1 1 389.411 3.670 20 30 GHEDMM N#Cc1cccc([C@@H](NCc2ccc(Br)cc2Cl)C(=O)[O-])c1 ZINC000833076521 601303535 /nfs/dbraw/zinc/30/35/35/601303535.db2.gz WLDSTMWFLYKCOE-OAHLLOKOSA-N -1 1 379.641 3.890 20 30 GHEDMM C[C@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)c1ccc(C#N)cc1 ZINC000833616801 605085462 /nfs/dbraw/zinc/08/54/62/605085462.db2.gz HKHAXRRTNNSMHS-OLZOCXBDSA-N -1 1 397.500 3.732 20 30 GHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(Br)c1 ZINC000822922225 606389144 /nfs/dbraw/zinc/38/91/44/606389144.db2.gz DQDJILCUJRCWCA-GORDUTHDSA-N -1 1 379.214 3.726 20 30 GHEDMM O=c1c(-c2nn[n-]n2)cn(CC#Cc2ccc(Cl)cc2)c2ccc(Cl)cc12 ZINC000823656276 606638142 /nfs/dbraw/zinc/63/81/42/606638142.db2.gz AOVCQYBBMLUMRI-UHFFFAOYSA-N -1 1 396.237 3.540 20 30 GHEDMM C=CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccccc1C ZINC000819764083 607036171 /nfs/dbraw/zinc/03/61/71/607036171.db2.gz DWRHYHIZYNJPIZ-UHFFFAOYSA-N -1 1 393.451 3.910 20 30 GHEDMM C=CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccccc1C ZINC000819764083 607036172 /nfs/dbraw/zinc/03/61/72/607036172.db2.gz DWRHYHIZYNJPIZ-UHFFFAOYSA-N -1 1 393.451 3.910 20 30 GHEDMM O=C1c2cc(Br)sc2CCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826475529 607843059 /nfs/dbraw/zinc/84/30/59/607843059.db2.gz ITKXFOZHVROTHB-FNORWQNLSA-N -1 1 393.291 3.965 20 30 GHEDMM CC(C)n1ncc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)c(Cl)nc21 ZINC000824377767 608091728 /nfs/dbraw/zinc/09/17/28/608091728.db2.gz MOYONJDAEWYNDK-ONEGZZNKSA-N -1 1 399.867 3.803 20 30 GHEDMM CC(C)n1ncc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)c(Cl)nc21 ZINC000824377767 608091729 /nfs/dbraw/zinc/09/17/29/608091729.db2.gz MOYONJDAEWYNDK-ONEGZZNKSA-N -1 1 399.867 3.803 20 30 GHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1Br ZINC000826266678 608093783 /nfs/dbraw/zinc/09/37/83/608093783.db2.gz XPOMBBGAZFIRJC-HYXAFXHYSA-N -1 1 375.251 3.895 20 30 GHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1Br ZINC000826266678 608093784 /nfs/dbraw/zinc/09/37/84/608093784.db2.gz XPOMBBGAZFIRJC-HYXAFXHYSA-N -1 1 375.251 3.895 20 30 GHEDMM COc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826176712 609369001 /nfs/dbraw/zinc/36/90/01/609369001.db2.gz ADWOMLLATYZTHV-HWKANZROSA-N -1 1 391.250 3.595 20 30 GHEDMM COc1cc(Br)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826176712 609369003 /nfs/dbraw/zinc/36/90/03/609369003.db2.gz ADWOMLLATYZTHV-HWKANZROSA-N -1 1 391.250 3.595 20 30 GHEDMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C1 ZINC000180715432 837490222 /nfs/dbraw/zinc/49/02/22/837490222.db2.gz XFGKCZHLDKHHEY-UHFFFAOYSA-N -1 1 375.881 3.736 20 30 GHEDMM CC(C)(C)n1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000654968647 834879404 /nfs/dbraw/zinc/87/94/04/834879404.db2.gz HUEQNZNBHWTWKS-LBPRGKRZSA-N -1 1 395.488 3.717 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCCC)c2)c1 ZINC000511279870 834962199 /nfs/dbraw/zinc/96/21/99/834962199.db2.gz KOKNCHIDFSJSMN-UHFFFAOYSA-N -1 1 388.489 3.582 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C3(C#N)CCC3)ccc2C)c1 ZINC000134487354 835753728 /nfs/dbraw/zinc/75/37/28/835753728.db2.gz KICWPJIVWBGLNJ-UHFFFAOYSA-N -1 1 383.473 3.737 20 30 GHEDMM C=C[C@@H](O)C(=O)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000613419095 836350809 /nfs/dbraw/zinc/35/08/09/836350809.db2.gz JNDDYKHCOKJKPH-ZJUUUORDSA-N -1 1 395.221 3.991 20 30 GHEDMM N#C[C@H](C(=O)C=Cc1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000255050738 836501739 /nfs/dbraw/zinc/50/17/39/836501739.db2.gz KQSAINQGAUAWNT-WBTMPAOCSA-N -1 1 376.441 3.560 20 30 GHEDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c(C)n1-c1ccc(C#N)cc1 ZINC000066640147 836563248 /nfs/dbraw/zinc/56/32/48/836563248.db2.gz GOUVBUOIYUFEJX-UHFFFAOYSA-N -1 1 394.504 3.731 20 30 GHEDMM CCn1c(=O)c2ccc(C(=O)[C@H](C#N)c3nc(C(C)C)cs3)cc2[n-]c1=S ZINC000177776166 837187415 /nfs/dbraw/zinc/18/74/15/837187415.db2.gz JCPJMQANPBCAEV-ZDUSSCGKSA-N -1 1 398.513 3.775 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1[O-] ZINC000188953501 838001550 /nfs/dbraw/zinc/00/15/50/838001550.db2.gz QNGPTBMNDZNWQF-GFCCVEGCSA-N -1 1 381.379 3.759 20 30 GHEDMM C[C@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000122853997 838448713 /nfs/dbraw/zinc/44/87/13/838448713.db2.gz CQBKZRCDUUTDPQ-WFASDCNBSA-N -1 1 377.469 3.843 20 30 GHEDMM CC(C)NC(=O)c1cnn2c1C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])CC2 ZINC000328607539 839744083 /nfs/dbraw/zinc/74/40/83/839744083.db2.gz WGYFGRHGSSPWSK-GFCCVEGCSA-N -1 1 390.871 3.522 20 30 GHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000416965035 840312537 /nfs/dbraw/zinc/31/25/37/840312537.db2.gz WXMDPFSQVDCASR-QMMMGPOBSA-N -1 1 391.198 3.978 20 30 GHEDMM CC(C)(CCC#N)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000195062259 840396698 /nfs/dbraw/zinc/39/66/98/840396698.db2.gz GSKLDLNGTVJUNM-UHFFFAOYSA-N -1 1 386.473 3.974 20 30 GHEDMM CC[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000175997395 841228131 /nfs/dbraw/zinc/22/81/31/841228131.db2.gz IYYKLAKJUPDOMQ-CYBMUJFWSA-N -1 1 396.827 3.739 20 30 GHEDMM C=CCn1c(-c2sc(NC(=O)c3sc(C)nc3C)nc2C)n[n-]c1=S ZINC000125274078 841376420 /nfs/dbraw/zinc/37/64/20/841376420.db2.gz XFPPPSDHTPWTMR-UHFFFAOYSA-N -1 1 392.535 3.884 20 30 GHEDMM CN(C)c1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000430667241 842424534 /nfs/dbraw/zinc/42/45/34/842424534.db2.gz VGOMVJDFIXFRGJ-OAHLLOKOSA-N -1 1 392.484 3.832 20 30 GHEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2C)o1 ZINC000135409743 843339346 /nfs/dbraw/zinc/33/93/46/843339346.db2.gz OWNXAOIVDGMWLI-UHFFFAOYSA-N -1 1 376.825 3.612 20 30 GHEDMM Cc1cccnc1C=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000588456856 843368358 /nfs/dbraw/zinc/36/83/58/843368358.db2.gz RDELTQGQDCTZTI-QIAWRQBBSA-N -1 1 390.468 3.869 20 30 GHEDMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279899037 843462670 /nfs/dbraw/zinc/46/26/70/843462670.db2.gz ITLBILXPJCCCCO-MRXNPFEDSA-N -1 1 397.500 3.568 20 30 GHEDMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)cc21 ZINC000432766590 843744643 /nfs/dbraw/zinc/74/46/43/843744643.db2.gz CYMIFHOVTWWQRD-UHFFFAOYSA-N -1 1 390.262 3.613 20 30 GHEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cccc1C(=O)Nc1ccccc1 ZINC000131560107 861470329 /nfs/dbraw/zinc/47/03/29/861470329.db2.gz HFLGILPLERELBL-UHFFFAOYSA-N -1 1 391.452 3.920 20 30 GHEDMM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588482718 844945701 /nfs/dbraw/zinc/94/57/01/844945701.db2.gz QKEJMYNGCAFRJY-YFHOEESVSA-N -1 1 392.864 3.649 20 30 GHEDMM N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000046588491 849501278 /nfs/dbraw/zinc/50/12/78/849501278.db2.gz YJAXJHSZQRBRPT-UHFFFAOYSA-N -1 1 377.425 3.611 20 30 GHEDMM C=C(C)C[C@H](C)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000466548432 862029593 /nfs/dbraw/zinc/02/95/93/862029593.db2.gz OVHXLPDQEITOGW-HNNXBMFYSA-N -1 1 390.480 3.845 20 30 GHEDMM C=CCOc1c(Br)cc(CN2CCC[C@H](CC(=O)[O-])C2)cc1OC ZINC000514781949 850301987 /nfs/dbraw/zinc/30/19/87/850301987.db2.gz NTXMYQZPNSHOCI-CYBMUJFWSA-N -1 1 398.297 3.709 20 30 GHEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000435591666 850679831 /nfs/dbraw/zinc/67/98/31/850679831.db2.gz GUXFWPMNWKMEQB-TVQRCGJNSA-N -1 1 384.712 3.906 20 30 GHEDMM CC(C)CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000505193802 850702984 /nfs/dbraw/zinc/70/29/84/850702984.db2.gz RJTOZIRJGCGIAC-UHFFFAOYSA-N -1 1 399.516 3.889 20 30 GHEDMM CC(C)CCN(CCC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000505182773 850710786 /nfs/dbraw/zinc/71/07/86/850710786.db2.gz VYIBABFVNURMRS-UHFFFAOYSA-N -1 1 399.516 3.889 20 30 GHEDMM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)COC4)cc2)ccn1 ZINC000515183966 850763830 /nfs/dbraw/zinc/76/38/30/850763830.db2.gz WZFAHTSWVQVASU-UHFFFAOYSA-N -1 1 393.424 3.577 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)ccc1C#N ZINC000435737685 850824788 /nfs/dbraw/zinc/82/47/88/850824788.db2.gz KPZVOLQYSHYRAR-UHFFFAOYSA-N -1 1 386.473 3.534 20 30 GHEDMM C=C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC000519421147 851026460 /nfs/dbraw/zinc/02/64/60/851026460.db2.gz CVSSUKWQIYCCSN-UHFFFAOYSA-N -1 1 384.501 3.896 20 30 GHEDMM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000425080364 851109585 /nfs/dbraw/zinc/10/95/85/851109585.db2.gz BDJULYQFTYAGRM-NSHDSACASA-N -1 1 394.422 3.713 20 30 GHEDMM CCOC(=O)c1sc([N-]C(=O)c2nc(C(C)C)ncc2Cl)c(C#N)c1C ZINC000604476824 862221115 /nfs/dbraw/zinc/22/11/15/862221115.db2.gz QMAAMDWXKBGVKN-UHFFFAOYSA-N -1 1 392.868 3.924 20 30 GHEDMM OC(=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC1=NCCS1 ZINC000057960098 862297685 /nfs/dbraw/zinc/29/76/85/862297685.db2.gz XDTIJJOHVJMISY-UHFFFAOYSA-N -1 1 396.903 3.954 20 30 GHEDMM COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c([O-])c1 ZINC000436795086 852353220 /nfs/dbraw/zinc/35/32/20/852353220.db2.gz DYORLHQMHYSCQA-UHFFFAOYSA-N -1 1 387.395 3.777 20 30 GHEDMM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc21 ZINC000593859890 862401731 /nfs/dbraw/zinc/40/17/31/862401731.db2.gz IXVIRDIJWKDTOF-ROUUACIJSA-N -1 1 378.428 3.564 20 30 GHEDMM Cc1cc(CC(C)(C)[N-]S(=O)(=O)c2ccc(C#N)o2)ccc1Br ZINC000490461360 853021709 /nfs/dbraw/zinc/02/17/09/853021709.db2.gz PGMWNPXOCMURQY-UHFFFAOYSA-N -1 1 397.294 3.522 20 30 GHEDMM C#CCOc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2ccc(Cl)cc2)c1 ZINC000108452713 853559953 /nfs/dbraw/zinc/55/99/53/853559953.db2.gz CLTZAJCNSRJVGI-UHFFFAOYSA-N -1 1 398.875 3.912 20 30 GHEDMM O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029388789 862511878 /nfs/dbraw/zinc/51/18/78/862511878.db2.gz SHHFOFNEQQDMGV-UHFFFAOYSA-N -1 1 390.321 3.722 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c1 ZINC000589170658 854713325 /nfs/dbraw/zinc/71/33/25/854713325.db2.gz VSIRIFUTYYKBDB-UHFFFAOYSA-N -1 1 389.386 3.585 20 30 GHEDMM CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)c(F)c1 ZINC000589162862 854732295 /nfs/dbraw/zinc/73/22/95/854732295.db2.gz YBVKSVIGLJEKJO-UHFFFAOYSA-N -1 1 396.403 3.737 20 30 GHEDMM CCn1c2ccc(Br)cc2nc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589197285 854743351 /nfs/dbraw/zinc/74/33/51/854743351.db2.gz LJDRCYUMUNKJAI-UHFFFAOYSA-N -1 1 385.221 3.648 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000589198267 854743489 /nfs/dbraw/zinc/74/34/89/854743489.db2.gz YAXBRWKWTQUELI-ZDUSSCGKSA-N -1 1 376.243 3.579 20 30 GHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)cc1 ZINC000131554807 854932225 /nfs/dbraw/zinc/93/22/25/854932225.db2.gz ADDVKHNMRLFVBT-HNAYVOBHSA-N -1 1 387.443 3.742 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C4CC4)n3)c2)ccc1Cl ZINC000171180859 856015029 /nfs/dbraw/zinc/01/50/29/856015029.db2.gz OZTRMRWMDPWUAG-UHFFFAOYSA-N -1 1 399.863 3.675 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000172591280 856495453 /nfs/dbraw/zinc/49/54/53/856495453.db2.gz CXFMFBKIRYVRGU-UHFFFAOYSA-N -1 1 385.470 3.703 20 30 GHEDMM COC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)cs1 ZINC000905824995 856636572 /nfs/dbraw/zinc/63/65/72/856636572.db2.gz RAMCPSBKLHHSOT-IUCAKERBSA-N -1 1 375.475 3.801 20 30 GHEDMM N#CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000485974442 857285481 /nfs/dbraw/zinc/28/54/81/857285481.db2.gz GRUYHWQLLOXDTJ-UHFFFAOYSA-N -1 1 395.843 3.912 20 30 GHEDMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593201481 857390842 /nfs/dbraw/zinc/39/08/42/857390842.db2.gz XGWVUSXHBOXEEC-UHFFFAOYSA-N -1 1 385.489 3.883 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1OC(F)(F)F ZINC000442236537 857662717 /nfs/dbraw/zinc/66/27/17/857662717.db2.gz KXBXQAHGHZFNOX-UHFFFAOYSA-N -1 1 393.346 3.806 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1Cl ZINC000438988176 857946164 /nfs/dbraw/zinc/94/61/64/857946164.db2.gz RBMGVOWFIJVLOA-UHFFFAOYSA-N -1 1 397.834 3.593 20 30 GHEDMM C=C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000521444781 858004687 /nfs/dbraw/zinc/00/46/87/858004687.db2.gz VATNKCNPGLHGEN-UHFFFAOYSA-N -1 1 384.501 3.896 20 30 GHEDMM N#Cc1ccc(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1[O-] ZINC000443115641 858382473 /nfs/dbraw/zinc/38/24/73/858382473.db2.gz NSMPAMZTJMGLCL-HNNXBMFYSA-N -1 1 389.480 3.923 20 30 GHEDMM Cc1cccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c1C#N ZINC000443442843 858681735 /nfs/dbraw/zinc/68/17/35/858681735.db2.gz DFUMMIFMAVOXSD-KRWDZBQOSA-N -1 1 393.390 3.930 20 30 GHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000543162498 858692914 /nfs/dbraw/zinc/69/29/14/858692914.db2.gz CSTYLYYSROAZAT-UHFFFAOYSA-N -1 1 395.431 3.825 20 30 GHEDMM C=CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000116852859 859193603 /nfs/dbraw/zinc/19/36/03/859193603.db2.gz OEAZMRJJQFRIET-CQSZACIVSA-N -1 1 376.453 3.629 20 30 GHEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccccc1I ZINC000727777978 860221576 /nfs/dbraw/zinc/22/15/76/860221576.db2.gz VZFCGFSJCLQWQL-UHFFFAOYSA-N -1 1 380.185 3.826 20 30 GHEDMM Cc1cccc(N(CCC#N)C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1C ZINC000195084729 860422031 /nfs/dbraw/zinc/42/20/31/860422031.db2.gz JBQBZSFGMPJIAC-UHFFFAOYSA-N -1 1 382.489 3.715 20 30 GHEDMM C#CC(C)(C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000733978757 863897626 /nfs/dbraw/zinc/89/76/26/863897626.db2.gz AODDLDQQDFTTOV-UHFFFAOYSA-N -1 1 390.892 3.591 20 30 GHEDMM Cc1c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cnn1-c1ccc(Cl)cc1 ZINC000494488064 881784766 /nfs/dbraw/zinc/78/47/66/881784766.db2.gz RGQXCWSHUBZUKZ-UHFFFAOYSA-N -1 1 390.827 3.646 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)cc1 ZINC000523822274 868064079 /nfs/dbraw/zinc/06/40/79/868064079.db2.gz NSXYCSDXCUTNGF-UHFFFAOYSA-N -1 1 388.514 3.771 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)ccc2N(C)C(C)C)n1 ZINC000744071624 868568577 /nfs/dbraw/zinc/56/85/77/868568577.db2.gz MEKXYBSOGTUFBH-OAHLLOKOSA-N -1 1 385.489 3.963 20 30 GHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(C(F)(F)F)cc1Br ZINC001193146486 870918526 /nfs/dbraw/zinc/91/85/26/870918526.db2.gz NTOFXMFNLAVKOY-YFKPBYRVSA-N -1 1 391.596 3.775 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c1 ZINC000122207301 882474978 /nfs/dbraw/zinc/47/49/78/882474978.db2.gz JQZQYCPHMBOALO-UHFFFAOYSA-N -1 1 398.406 3.730 20 30 GHEDMM COc1ccc(C#N)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2[S-])c1 ZINC001193679840 871232293 /nfs/dbraw/zinc/23/22/93/871232293.db2.gz OYIPOSUVNNKOKQ-UHFFFAOYSA-N -1 1 388.392 3.675 20 30 GHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000462099793 871594283 /nfs/dbraw/zinc/59/42/83/871594283.db2.gz DTIZQEOFZDKFHQ-UHFFFAOYSA-N -1 1 394.294 3.943 20 30 GHEDMM CSc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000443366821 871654225 /nfs/dbraw/zinc/65/42/25/871654225.db2.gz NBOVBRGSUPTZBU-UHFFFAOYSA-N -1 1 383.292 3.843 20 30 GHEDMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)ccc12 ZINC000443412735 872257157 /nfs/dbraw/zinc/25/71/57/872257157.db2.gz KGVUZRKAADZIOH-UHFFFAOYSA-N -1 1 380.351 3.563 20 30 GHEDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)ccc12 ZINC000443412735 872257161 /nfs/dbraw/zinc/25/71/61/872257161.db2.gz KGVUZRKAADZIOH-UHFFFAOYSA-N -1 1 380.351 3.563 20 30 GHEDMM CCOC(=O)c1cccc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)n1 ZINC001196309171 873002767 /nfs/dbraw/zinc/00/27/67/873002767.db2.gz OVEDLUSNHCYSHL-UHFFFAOYSA-N -1 1 387.395 3.755 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cc(C(N)=O)cc4[nH]ccc43)c2)c1 ZINC001196319779 873029035 /nfs/dbraw/zinc/02/90/35/873029035.db2.gz FICIZXFGQZXEEL-UHFFFAOYSA-N -1 1 396.406 3.763 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cccc4c(=O)[nH][nH]c(=O)c34)c2)c1 ZINC001196320535 873031156 /nfs/dbraw/zinc/03/11/56/873031156.db2.gz NXSLMSUXQQRNAH-UHFFFAOYSA-N -1 1 398.378 3.538 20 30 GHEDMM Cc1nc([C@H]2CCCCN2C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)no1 ZINC001196316664 873055515 /nfs/dbraw/zinc/05/55/15/873055515.db2.gz XWKMLMCOKZEYTH-HXUWFJFHSA-N -1 1 388.427 3.990 20 30 GHEDMM N#CCC1([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCCC1 ZINC001196843034 873400765 /nfs/dbraw/zinc/40/07/65/873400765.db2.gz LRWGZIJCSWFCPF-UHFFFAOYSA-N -1 1 395.681 3.746 20 30 GHEDMM CC(C)(C)OC(=O)Nc1nc(Cl)ccc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001197032597 873555298 /nfs/dbraw/zinc/55/52/98/873555298.db2.gz FPEAQQLQXZGZTC-UHFFFAOYSA-N -1 1 388.811 3.912 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(OCC#N)c2)c([O-])c1 ZINC000769712624 874247075 /nfs/dbraw/zinc/24/70/75/874247075.db2.gz WIIOBQXRBQYDSL-UHFFFAOYSA-N -1 1 383.404 3.894 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CCC#N)Cc2ccco2)c([O-])c1 ZINC000769744532 874279474 /nfs/dbraw/zinc/27/94/74/874279474.db2.gz QLWNAUDZBHIOPS-UHFFFAOYSA-N -1 1 385.420 3.888 20 30 GHEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000769873787 874346756 /nfs/dbraw/zinc/34/67/56/874346756.db2.gz ZISPMMVGQABZFU-PIGZYNQJSA-N -1 1 399.369 3.705 20 30 GHEDMM CN1CCC(=O)Nc2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc21 ZINC000770095968 874455772 /nfs/dbraw/zinc/45/57/72/874455772.db2.gz HXLWCEMPCQZUAC-ZDUSSCGKSA-N -1 1 376.441 3.565 20 30 GHEDMM CCOc1cc(-c2noc(Cc3cccc(OCC#N)c3)n2)cc(Cl)c1[O-] ZINC000771108816 875042587 /nfs/dbraw/zinc/04/25/87/875042587.db2.gz MCXYVGDRLXMTIC-UHFFFAOYSA-N -1 1 385.807 3.987 20 30 GHEDMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000542235828 875197464 /nfs/dbraw/zinc/19/74/64/875197464.db2.gz OKOOMZJBEOGSFO-UHFFFAOYSA-N -1 1 380.429 3.595 20 30 GHEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1C#N ZINC000780395418 882935815 /nfs/dbraw/zinc/93/58/15/882935815.db2.gz SVBDVADIBKNXSQ-UHFFFAOYSA-N -1 1 395.387 3.865 20 30 GHEDMM CCc1cccc(CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000152076738 876719713 /nfs/dbraw/zinc/71/97/13/876719713.db2.gz KMGQPVNCCPNNEJ-INIZCTEOSA-N -1 1 391.496 3.845 20 30 GHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C=CC(=O)OC)o2)cc1 ZINC000850760954 877147818 /nfs/dbraw/zinc/14/78/18/877147818.db2.gz YHDMWJOEXGEAFN-LVWOJMJRSA-N -1 1 394.427 3.770 20 30 GHEDMM N#C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1c(Cl)cccc1Cl ZINC001183091833 912249916 /nfs/dbraw/zinc/24/99/16/912249916.db2.gz ONEHXYJMNVTDKQ-LURJTMIESA-N -1 1 378.141 3.766 20 30 GHEDMM C=CC1CCN(C(=O)CCn2c(-c3ccc(OCC)cc3)n[n-]c2=S)CC1 ZINC000111632377 879305230 /nfs/dbraw/zinc/30/52/30/879305230.db2.gz WYGOAQVBMOZJQT-UHFFFAOYSA-N -1 1 386.521 3.821 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(F)F)CCS3)c1 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3.551 20 30 GHEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)c1ccccc1 ZINC000040216604 1014365285 /nfs/dbraw/zinc/36/52/85/1014365285.db2.gz AYTQHEHJIOWWIC-CYBMUJFWSA-N -1 1 385.670 3.646 20 30 GHEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OCC(F)(F)F)c1 ZINC000832935160 979057424 /nfs/dbraw/zinc/05/74/24/979057424.db2.gz XDPKYAFZPVEWGT-QGZVFWFLSA-N -1 1 378.350 3.723 20 30 GHEDMM COc1cc(/C=C/C(=O)c2ccc(Cl)cc2C(=O)[O-])cc([N+](=O)[O-])c1O ZINC001599399090 997182062 /nfs/dbraw/zinc/18/20/62/997182062.db2.gz DJZIHEWVDBVNDN-GORDUTHDSA-N -1 1 377.736 3.557 20 30 GHEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001227122594 1032278401 /nfs/dbraw/zinc/27/84/01/1032278401.db2.gz LAWWLSJBRSSGSW-HNNXBMFYSA-N -1 1 382.416 3.889 20 30 GHEDMM C#C[C@@H](COc1cccc(C(F)(F)F)c1)Oc1cc([O-])ccc1C(=O)COC ZINC001227172711 1032308258 /nfs/dbraw/zinc/30/82/58/1032308258.db2.gz ROEZNHCHKKNNLR-HNNXBMFYSA-N -1 1 394.345 3.700 20 30 GHEDMM N#Cc1ccc(NC(=O)c2nc3ccc(Cl)nc3[n-]2)c(OC(F)(F)F)c1 ZINC001155178520 1032446202 /nfs/dbraw/zinc/44/62/02/1032446202.db2.gz KHRORMCXTYRZKB-UHFFFAOYSA-N -1 1 381.701 3.634 20 30 GHEDMM N#Cc1c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)sc2ccccc21 ZINC001155222221 1032462346 /nfs/dbraw/zinc/46/23/46/1032462346.db2.gz LZICUBIGTAPQLK-UHFFFAOYSA-N -1 1 378.365 3.543 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)NCC3(C#N)CC3)c2)c1 ZINC000562624281 1018425921 /nfs/dbraw/zinc/42/59/21/1018425921.db2.gz CUEHQMJFJOWHGI-UHFFFAOYSA-N -1 1 398.488 3.530 20 30 GHEDMM N#CCCc1ccc(NC(=O)c2cc(I)ccc2[O-])cc1 ZINC001155886684 1032766158 /nfs/dbraw/zinc/76/61/58/1032766158.db2.gz NRMZBHOIWNTICQ-UHFFFAOYSA-N -1 1 392.196 3.705 20 30 GHEDMM COc1cc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(F)cc1C#N ZINC000626633961 1020470398 /nfs/dbraw/zinc/47/03/98/1020470398.db2.gz RJBACSMFJQTFER-UHFFFAOYSA-N -1 1 397.406 3.538 20 30 GHEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1coc2c1C(=O)CCC2 ZINC000835062902 1021836784 /nfs/dbraw/zinc/83/67/84/1021836784.db2.gz GEDJNYUWQIKSHM-OAHLLOKOSA-N -1 1 378.428 3.885 20 30 GHEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)o1 ZINC000755887868 1023422344 /nfs/dbraw/zinc/42/23/44/1023422344.db2.gz BWLRVEVLNYINFT-UHFFFAOYSA-N -1 1 399.428 3.698 20 30 GHEDMM N#Cc1ccc(C(F)(F)F)nc1N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC001163947543 1026370048 /nfs/dbraw/zinc/37/00/48/1026370048.db2.gz VFJOAOMDPNLELF-UHFFFAOYSA-N -1 1 396.800 3.653 20 30 GHEDMM N#CCc1ccc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)cc1 ZINC001143226871 1029928540 /nfs/dbraw/zinc/92/85/40/1029928540.db2.gz MOATZYCRSSEQMX-UHFFFAOYSA-N -1 1 396.244 3.699 20 30 GHEDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](O/C(=N\[O-])c3cc(F)ccc3F)[C@@H]2C1 ZINC001223891310 1030795349 /nfs/dbraw/zinc/79/53/49/1030795349.db2.gz UKJBHPOZGVEGNQ-OQKSUDLLSA-N -1 1 382.407 3.763 20 30 GHEDMM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1cc([O-])cc(O)c1C(C)=O ZINC001225674756 1031535606 /nfs/dbraw/zinc/53/56/06/1031535606.db2.gz MGVABYUHZQNZTG-CQSZACIVSA-N -1 1 380.318 3.779 20 30 GHEDMM C#C[C@H](Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)cc1)O2)c1ccncc1 ZINC001226499423 1031987340 /nfs/dbraw/zinc/98/73/40/1031987340.db2.gz XISCKQDBGZTWCL-VQTJNVASSA-N -1 1 387.391 3.953 20 30 GHEDMM C=C[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1 ZINC001229789137 1033715899 /nfs/dbraw/zinc/71/58/99/1033715899.db2.gz DTPNGJWSBCHJPO-SFHVURJKSA-N -1 1 394.379 3.752 20 30 GHEDMM C#C[C@@H](NC(=O)NCCc1c(F)cc([O-])cc1F)c1ccc(Cl)cc1F ZINC001230511504 1034096200 /nfs/dbraw/zinc/09/62/00/1034096200.db2.gz VAWYDBDTBLSNOY-QGZVFWFLSA-N -1 1 382.769 3.679 20 30 GHEDMM CSc1nc(NC(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)cc(=O)[n-]1 ZINC001245740861 1036986417 /nfs/dbraw/zinc/98/64/17/1036986417.db2.gz YKMYLQGJWSSRRW-UHFFFAOYSA-N -1 1 385.396 3.603 20 30 GHEDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCCC[C@H]3C#N)c2)nc1C ZINC001232453314 1038236698 /nfs/dbraw/zinc/23/66/98/1038236698.db2.gz GKUDWDDKBPNXFN-INIZCTEOSA-N -1 1 385.489 3.879 20 30 GHEDMM CCOC[C@@H]1CN(Cc2cc(C#N)ccc2[O-])Cc2cn(CC3CCCC3)nc21 ZINC001232677485 1038476255 /nfs/dbraw/zinc/47/62/55/1038476255.db2.gz MBIRBHDWRAFRDS-NRFANRHFSA-N -1 1 394.519 3.786 20 30 GHEDMM N#C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)c1cccc(F)c1 ZINC001234128326 1039869314 /nfs/dbraw/zinc/86/93/14/1039869314.db2.gz LLPMGAKPNRPFML-KRWDZBQOSA-N -1 1 393.326 3.846 20 30 GHEDMM C=CCOC[C@@H]1c2nnn(CC)c2CCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236790907 1041896466 /nfs/dbraw/zinc/89/64/66/1041896466.db2.gz WESWLAJMCUJFEX-MRXNPFEDSA-N -1 1 397.306 3.612 20 30 GHEDMM C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(Cl)nc(Cl)c1[O-])C2 ZINC001237519799 1042248118 /nfs/dbraw/zinc/24/81/18/1042248118.db2.gz REMHDNHQEZNLKN-GOSISDBHSA-N -1 1 384.307 3.627 20 30 GHEDMM N#Cc1cccc(N2C[C@]3(CCN(Cc4cc(Cl)c([O-])cc4F)C3)CC2=O)c1 ZINC001238148759 1042504977 /nfs/dbraw/zinc/50/49/77/1042504977.db2.gz ZYCUYEYVCBVUNJ-OAQYLSRUSA-N -1 1 399.853 3.685 20 30 GHEDMM CC(C)(C)OC(=O)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259125055 1044971921 /nfs/dbraw/zinc/97/19/21/1044971921.db2.gz ITPVGHSJBXEKLX-UHFFFAOYSA-N -1 1 391.424 3.845 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1Br ZINC001259500316 1045205377 /nfs/dbraw/zinc/20/53/77/1045205377.db2.gz QQUUVVMGHFYFNN-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM C[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2)C1 ZINC001259662700 1045261625 /nfs/dbraw/zinc/26/16/25/1045261625.db2.gz FLQXDIWOAQUTHV-OAHLLOKOSA-N -1 1 398.488 3.623 20 30 GHEDMM C=CCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001260560556 1045550631 /nfs/dbraw/zinc/55/06/31/1045550631.db2.gz YKPHUOBQLWRWNN-NSHDSACASA-N -1 1 383.728 3.576 20 30 GHEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2OC)c(F)c1 ZINC001260770879 1045649726 /nfs/dbraw/zinc/64/97/26/1045649726.db2.gz LGKXDGDYFVPWJN-UHFFFAOYSA-N -1 1 393.436 3.595 20 30 GHEDMM N#C[C@H](C(=O)C[C@H]1CC[C@@H](C2CC2)O1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC001263285065 1046679553 /nfs/dbraw/zinc/67/95/53/1046679553.db2.gz WKGYJLRPUYHAKN-XPKDYRNWSA-N -1 1 397.500 3.800 20 30 GHEDMM COc1ccccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC001343318776 1053700545 /nfs/dbraw/zinc/70/05/45/1053700545.db2.gz WREUOMDONQLCSF-ZDUSSCGKSA-N -1 1 379.441 3.774 20 30 GHEDMM N#CC(=C([O-])c1ccn(CCC(F)(F)F)n1)c1nccn1Cc1ccccc1 ZINC001343706307 1053979887 /nfs/dbraw/zinc/97/98/87/1053979887.db2.gz ZBCCJALZOGMRSU-HNNXBMFYSA-N -1 1 387.365 3.570 20 30 GHEDMM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001344022900 1054196028 /nfs/dbraw/zinc/19/60/28/1054196028.db2.gz QGEYJCHTGOICMC-LJQANCHMSA-N -1 1 376.456 3.889 20 30 GHEDMM CCCCCCCCCCCCNC(=S)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001200506691 1056161755 /nfs/dbraw/zinc/16/17/55/1056161755.db2.gz LYDQCTLYWYCPRJ-UHFFFAOYSA-N -1 1 394.545 3.971 20 30 GHEDMM C=C(C)Cn1c(-c2ccco2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001356072021 1057377896 /nfs/dbraw/zinc/37/78/96/1057377896.db2.gz MAJHEKHBKOWJAC-UHFFFAOYSA-N -1 1 392.459 3.919 20 30 GHEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@H]1c1cccs1 ZINC001338708317 1058741107 /nfs/dbraw/zinc/74/11/07/1058741107.db2.gz HRDJHSLMKXDSKT-HNNXBMFYSA-N -1 1 394.504 3.907 20 30 GHEDMM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC001444269152 1059296050 /nfs/dbraw/zinc/29/60/50/1059296050.db2.gz WMIIWUTUKQNYJV-UHFFFAOYSA-N -1 1 388.761 3.670 20 30 GHEDMM CCCCCCCCc1nnc([N-]C(=O)c2ncc(C(N)=O)cc2Cl)s1 ZINC001341645606 1060789425 /nfs/dbraw/zinc/78/94/25/1060789425.db2.gz RLABSTDRNTXXKP-UHFFFAOYSA-N -1 1 395.916 3.841 20 30 GHEDMM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C(=O)c1ccc([O-])cc1 ZINC001451977052 1060878687 /nfs/dbraw/zinc/87/86/87/1060878687.db2.gz WNNKSLVTVLWZNU-GFCCVEGCSA-N -1 1 376.334 3.535 20 30 GHEDMM Cc1ccc(-n2ncc(C([O-])=C(C#N)c3nccn3C)c2C2CC2)cc1Cl ZINC001346548034 1061674187 /nfs/dbraw/zinc/67/41/87/1061674187.db2.gz GCCWQIJDOISLJX-HNNXBMFYSA-N -1 1 379.851 3.935 20 30 GHEDMM C=C1CCC(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CC1 ZINC001455548567 1062216800 /nfs/dbraw/zinc/21/68/00/1062216800.db2.gz ONPCBLRZBFSFTB-UHFFFAOYSA-N -1 1 386.370 3.979 20 30 GHEDMM Cc1ccc(Oc2ccccc2CC[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC001463891210 1064698554 /nfs/dbraw/zinc/69/85/54/1064698554.db2.gz ZIBLGCKZCTXWRZ-UHFFFAOYSA-N -1 1 382.441 3.773 20 30 GHEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001465005901 1065321684 /nfs/dbraw/zinc/32/16/84/1065321684.db2.gz RMJMMRKNCAFCKJ-GFCCVEGCSA-N -1 1 386.477 3.869 20 30 GHEDMM C=CCc1cc(CNC(=O)NCc2ccc([O-])c(Cl)c2)cc(OC)c1OC ZINC001477658179 1078512867 /nfs/dbraw/zinc/51/28/67/1078512867.db2.gz QWLFEPVRRBNOPP-UHFFFAOYSA-N -1 1 390.867 3.791 20 30 GHEDMM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001469160594 1068002224 /nfs/dbraw/zinc/00/22/24/1068002224.db2.gz JIMHBPNMHVCSSG-CYBMUJFWSA-N -1 1 383.395 3.586 20 30 GHEDMM C=CC[C@@H]1CCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001472262176 1073388416 /nfs/dbraw/zinc/38/84/16/1073388416.db2.gz ULTMIRHLSKLINT-LJQANCHMSA-N -1 1 384.501 3.895 20 30 GHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000735850388 599032278 /nfs/dbraw/zinc/03/22/78/599032278.db2.gz DCWWDCBRTHWLAX-CQSZACIVSA-N -1 1 383.431 3.928 20 30 GHEDMM Cc1cccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c1C(=O)[O-] ZINC000738743338 599975057 /nfs/dbraw/zinc/97/50/57/599975057.db2.gz DBWDFRSMVWGCAG-ZDUSSCGKSA-N -1 1 390.486 3.888 20 30 GHEDMM C=C(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000727360803 600099014 /nfs/dbraw/zinc/09/90/14/600099014.db2.gz CQYQLKKLKHCCTI-UHFFFAOYSA-N -1 1 381.837 3.794 20 30 GHEDMM C=CCC[C@H](NCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1)c1ccccc1 ZINC000833372941 605144122 /nfs/dbraw/zinc/14/41/22/605144122.db2.gz BSPMMTMMFRJAJF-AWEZNQCLSA-N -1 1 383.473 3.788 20 30 GHEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccc(Cl)cc1 ZINC000823937364 607895461 /nfs/dbraw/zinc/89/54/61/607895461.db2.gz UOIIPTAJHATHIP-UHFFFAOYSA-N -1 1 396.867 3.511 20 30 GHEDMM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccc(Cl)cc1 ZINC000823937364 607895462 /nfs/dbraw/zinc/89/54/62/607895462.db2.gz UOIIPTAJHATHIP-UHFFFAOYSA-N -1 1 396.867 3.511 20 30 GHEDMM CCOc1c(Cl)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000825603839 608092593 /nfs/dbraw/zinc/09/25/93/608092593.db2.gz DFAGUHVMWOTOLB-SNAWJCMRSA-N -1 1 390.852 3.885 20 30 GHEDMM CCOc1c(Cl)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000825603839 608092594 /nfs/dbraw/zinc/09/25/94/608092594.db2.gz DFAGUHVMWOTOLB-SNAWJCMRSA-N -1 1 390.852 3.885 20 30 GHEDMM O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400271 608093937 /nfs/dbraw/zinc/09/39/37/608093937.db2.gz UPLZECLYNTYMIH-GQCTYLIASA-N -1 1 393.384 3.993 20 30 GHEDMM O=C(C=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400271 608093938 /nfs/dbraw/zinc/09/39/38/608093938.db2.gz UPLZECLYNTYMIH-GQCTYLIASA-N -1 1 393.384 3.993 20 30 GHEDMM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824739735 608349804 /nfs/dbraw/zinc/34/98/04/608349804.db2.gz ZXPXTKKBAZSBFT-LLVKDONJSA-N -1 1 396.476 3.503 20 30 GHEDMM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824739735 608349806 /nfs/dbraw/zinc/34/98/06/608349806.db2.gz ZXPXTKKBAZSBFT-LLVKDONJSA-N -1 1 396.476 3.503 20 30 GHEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(C(F)(F)F)c1 ZINC000467160573 835223002 /nfs/dbraw/zinc/22/30/02/835223002.db2.gz TZHBEPLVLNHKNI-SECBINFHSA-N -1 1 390.333 3.895 20 30 GHEDMM CCCc1ncc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000173916639 836335405 /nfs/dbraw/zinc/33/54/05/836335405.db2.gz QBVGTNBCACONCZ-LLVKDONJSA-N -1 1 398.513 3.762 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3c[nH]c(C#N)c3)ccc2C)c1 ZINC000179931976 836385491 /nfs/dbraw/zinc/38/54/91/836385491.db2.gz CFACWGYZSBQFBE-UHFFFAOYSA-N -1 1 394.456 3.556 20 30 GHEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1nc2cc(Cl)ccc2s1 ZINC000119989145 836979567 /nfs/dbraw/zinc/97/95/67/836979567.db2.gz XDAWNHGAIDTZQE-LLVKDONJSA-N -1 1 383.816 3.771 20 30 GHEDMM Cn1c(Br)c(C#N)c2c1nc(Cl)nc2Nc1ccc(F)cc1[O-] ZINC001210016498 837097409 /nfs/dbraw/zinc/09/74/09/837097409.db2.gz MBLFSUZYAAXQFM-UHFFFAOYSA-N -1 1 396.607 3.844 20 30 GHEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000066814202 839000160 /nfs/dbraw/zinc/00/01/60/839000160.db2.gz PWGMWNSPEIOUJN-ZDUSSCGKSA-N -1 1 390.486 3.653 20 30 GHEDMM CC1(C)Cc2ccc(Cl)c([N-]S(=O)(=O)c3ccc(C#N)cc3F)c2O1 ZINC000581108628 840721259 /nfs/dbraw/zinc/72/12/59/840721259.db2.gz RSNVGZUPBOIRRI-UHFFFAOYSA-N -1 1 380.828 3.865 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)cc1[O-] ZINC000600189121 861192841 /nfs/dbraw/zinc/19/28/41/861192841.db2.gz CKBURGMXDSUEAW-UHFFFAOYSA-N -1 1 394.475 3.789 20 30 GHEDMM N#CC(=C([O-])c1ccc(Cl)c(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391361 842492312 /nfs/dbraw/zinc/49/23/12/842492312.db2.gz SWSAGHIKAXHHDX-GFCCVEGCSA-N -1 1 399.241 3.994 20 30 GHEDMM N#CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCCC1 ZINC000159334550 843313407 /nfs/dbraw/zinc/31/34/07/843313407.db2.gz RIJHNSKPIMOFSH-UHFFFAOYSA-N -1 1 383.473 3.900 20 30 GHEDMM C=CCc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc(OC)c1O ZINC000277128676 844711056 /nfs/dbraw/zinc/71/10/56/844711056.db2.gz BNCSIBHCIAQJSB-KRWDZBQOSA-N -1 1 377.387 3.713 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c(C(F)(F)F)c1 ZINC000603974753 861521943 /nfs/dbraw/zinc/52/19/43/861521943.db2.gz DGGQPBFJXXDTIZ-UHFFFAOYSA-N -1 1 392.362 3.564 20 30 GHEDMM CC(=NNS(=O)(=O)c1ccc(F)cc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766026825 861575181 /nfs/dbraw/zinc/57/51/81/861575181.db2.gz ZWNKNUDJEDXQIV-UHFFFAOYSA-N -1 1 377.224 3.541 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3nc4ccccc4s3)o2)c(=O)o1 ZINC000255516462 847668822 /nfs/dbraw/zinc/66/88/22/847668822.db2.gz LNLKKPSPUCDLDV-POZKEBTKSA-N -1 1 379.393 3.785 20 30 GHEDMM N#Cc1ccc(C2(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)CCOCC2)cc1 ZINC000600475256 862055576 /nfs/dbraw/zinc/05/55/76/862055576.db2.gz PJFIZAVGUAXYFN-UHFFFAOYSA-N -1 1 390.361 3.718 20 30 GHEDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)s2)oc1-c1ccc(Cl)cc1 ZINC000435425468 850506722 /nfs/dbraw/zinc/50/67/22/850506722.db2.gz DAWUXAKKJDCSER-UHFFFAOYSA-N -1 1 393.877 3.715 20 30 GHEDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1C ZINC000435716637 850800998 /nfs/dbraw/zinc/80/09/98/850800998.db2.gz WNSVBXZDUAHHAX-UHFFFAOYSA-N -1 1 395.278 3.747 20 30 GHEDMM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436690368 852201907 /nfs/dbraw/zinc/20/19/07/852201907.db2.gz UVBZDZMXDAQUPC-UHFFFAOYSA-N -1 1 386.407 3.973 20 30 GHEDMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H](NCc1ccc(C#N)cc1)C(=O)[O-] ZINC000426802600 852414160 /nfs/dbraw/zinc/41/41/60/852414160.db2.gz WSSOFKZEJJLUQH-FQEVSTJZSA-N -1 1 394.862 3.930 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1F ZINC000427298746 852948924 /nfs/dbraw/zinc/94/89/24/852948924.db2.gz GDMQLMOBNPVKCY-UHFFFAOYSA-N -1 1 392.305 3.578 20 30 GHEDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000055674192 854051362 /nfs/dbraw/zinc/05/13/62/854051362.db2.gz LTVKHRQIMINCQV-UHFFFAOYSA-N -1 1 377.853 3.588 20 30 GHEDMM N#CCCCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000588340706 854285919 /nfs/dbraw/zinc/28/59/19/854285919.db2.gz SSUAWVCXZBJFPH-UHFFFAOYSA-N -1 1 385.489 3.578 20 30 GHEDMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000481971357 862562610 /nfs/dbraw/zinc/56/26/10/862562610.db2.gz JRFDQXDWYKWSBD-UHFFFAOYSA-N -1 1 391.448 3.514 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000589181351 854736143 /nfs/dbraw/zinc/73/61/43/854736143.db2.gz PVSVIBYFZUGPHI-MHZLTWQESA-N -1 1 376.437 3.824 20 30 GHEDMM COc1cc(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc(Cl)c1[O-] ZINC000331294444 854840212 /nfs/dbraw/zinc/84/02/12/854840212.db2.gz YBFSXDRFDWXIKM-BONVTDFDSA-N -1 1 381.778 3.842 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cnc1N1CCCC[C@@H]1C ZINC000589588813 855073713 /nfs/dbraw/zinc/07/37/13/855073713.db2.gz KMKKFPRRNUWNBB-INIZCTEOSA-N -1 1 384.505 3.636 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)n(C)c3ccc(OC)cc32)n1 ZINC000592366977 856779116 /nfs/dbraw/zinc/77/91/16/856779116.db2.gz VIFNPKORVQOVRT-CQSZACIVSA-N -1 1 397.456 3.619 20 30 GHEDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)cc1OCCCC#N ZINC000569115796 856930728 /nfs/dbraw/zinc/93/07/28/856930728.db2.gz ZIBCEXIGAFNYIF-IBGZPJMESA-N -1 1 390.386 3.571 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1CC(=O)OC(C)(C)C ZINC000174052101 857202599 /nfs/dbraw/zinc/20/25/99/857202599.db2.gz RIYHHARBTLYRFU-UHFFFAOYSA-N -1 1 386.473 3.552 20 30 GHEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000174056440 857203353 /nfs/dbraw/zinc/20/33/53/857203353.db2.gz LPXQOLZWVAJVSV-UHFFFAOYSA-N -1 1 388.489 3.529 20 30 GHEDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C(C)(C)C#N)cc2)c1OC ZINC000593947193 857782361 /nfs/dbraw/zinc/78/23/61/857782361.db2.gz HDTPUUVJGFMNCT-SFHVURJKSA-N -1 1 382.460 3.811 20 30 GHEDMM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001212482710 857784771 /nfs/dbraw/zinc/78/47/71/857784771.db2.gz IDYQXZCDPPSXOR-ZYHUDNBSSA-N -1 1 393.734 3.911 20 30 GHEDMM N#CCC1(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC000594780970 858279519 /nfs/dbraw/zinc/27/95/19/858279519.db2.gz JPJKVBXHHSVULR-UHFFFAOYSA-N -1 1 398.109 3.728 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1[O-] ZINC000443113903 858380111 /nfs/dbraw/zinc/38/01/11/858380111.db2.gz DNSFBTKIKWUNGB-UHFFFAOYSA-N -1 1 376.243 3.533 20 30 GHEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1Cl ZINC000443118592 858386092 /nfs/dbraw/zinc/38/60/92/858386092.db2.gz PYQJCBRZDNPVLX-QGZVFWFLSA-N -1 1 393.852 3.795 20 30 GHEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1OC(C)C ZINC000184973779 858778218 /nfs/dbraw/zinc/77/82/18/858778218.db2.gz JIEJDNYERRDELQ-UHFFFAOYSA-N -1 1 380.853 3.808 20 30 GHEDMM CCOC(=O)c1sc([N-]C(=O)c2csc([C@H]3CCCO3)n2)c(C#N)c1C ZINC000611126695 859614840 /nfs/dbraw/zinc/61/48/40/859614840.db2.gz BMPCBJXFZWOPIH-GFCCVEGCSA-N -1 1 391.474 3.665 20 30 GHEDMM CCOC(=O)c1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c([O-])c1 ZINC000611294926 859679703 /nfs/dbraw/zinc/67/97/03/859679703.db2.gz DRLDBTCPUHMXSB-UHFFFAOYSA-N -1 1 379.199 4.000 20 30 GHEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765339162 859919249 /nfs/dbraw/zinc/91/92/49/859919249.db2.gz IVUPLPIQSCQUGS-NSHDSACASA-N -1 1 390.237 3.767 20 30 GHEDMM CCOC(=O)c1sc([N-]C(=O)c2cc(F)c(F)c(F)c2F)c(C#N)c1C ZINC000603444487 860727287 /nfs/dbraw/zinc/72/72/87/860727287.db2.gz WRQPWJGBNKFMTP-UHFFFAOYSA-N -1 1 386.326 3.914 20 30 GHEDMM CSc1nc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2s1 ZINC000734118483 864007125 /nfs/dbraw/zinc/00/71/25/864007125.db2.gz IDTOXTAEIMNHPA-UHFFFAOYSA-N -1 1 375.500 3.999 20 30 GHEDMM N#CC(=C([O-])c1ccc(N2CCCC2=O)cc1)c1nc(-c2ccncc2)cs1 ZINC000114620278 881760155 /nfs/dbraw/zinc/76/01/55/881760155.db2.gz XMDKZWWJKNUHKV-KRWDZBQOSA-N -1 1 388.452 3.822 20 30 GHEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Br)c([O-])c1 ZINC000132976486 881845556 /nfs/dbraw/zinc/84/55/56/881845556.db2.gz QOLPEGXWYMWNHU-UHFFFAOYSA-N -1 1 398.178 3.955 20 30 GHEDMM N#CC(=C([O-])c1ccc2c(c1)OCCCO2)c1nc(-c2ccncc2)cs1 ZINC000172087557 865483936 /nfs/dbraw/zinc/48/39/36/865483936.db2.gz LJNNMUVVAMXJJD-OAHLLOKOSA-N -1 1 377.425 3.856 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CCC#N)C(C)C)cc2)cc1C ZINC000608813798 865719893 /nfs/dbraw/zinc/71/98/93/865719893.db2.gz FQFCNQNVECZDNJ-UHFFFAOYSA-N -1 1 399.516 3.869 20 30 GHEDMM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000741160438 866275740 /nfs/dbraw/zinc/27/57/40/866275740.db2.gz PBHWHTNKWDELPR-UHFFFAOYSA-N -1 1 388.449 3.984 20 30 GHEDMM C=CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000523968217 868353449 /nfs/dbraw/zinc/35/34/49/868353449.db2.gz FFBYMMQLTZUZQY-GFCCVEGCSA-N -1 1 396.871 3.974 20 30 GHEDMM C#CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000744457374 868858688 /nfs/dbraw/zinc/85/86/88/868858688.db2.gz PLQJFGKMIMENDI-UHFFFAOYSA-N -1 1 398.267 3.513 20 30 GHEDMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000609106571 870240781 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CCOc1cc(CNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)ccc1O ZINC001196330611 873036137 /nfs/dbraw/zinc/03/61/37/873036137.db2.gz XBYVBTSRCXHPFL-UHFFFAOYSA-N -1 1 388.423 3.965 20 30 GHEDMM COc1cccc(-c2cc([O-])cc(C(=O)Nc3cc(C#N)c(C#N)cc3N)c2)c1 ZINC001196388408 873068524 /nfs/dbraw/zinc/06/85/24/873068524.db2.gz ILRCTPMJHWPFAT-UHFFFAOYSA-N -1 1 384.395 3.646 20 30 GHEDMM CCc1[n-][nH]c(=NC(=O)c2ccccc2-c2ccccc2C#N)c1Br ZINC000448316124 873200647 /nfs/dbraw/zinc/20/06/47/873200647.db2.gz PBAOLMMLRYBXFZ-UHFFFAOYSA-N -1 1 395.260 3.947 20 30 GHEDMM CSc1nnc([N-]C(=O)c2ccc(-c3ccc(C#N)cc3)o2)c(SC)n1 ZINC001197386085 873756290 /nfs/dbraw/zinc/75/62/90/873756290.db2.gz CTIIJBAVZBNVHN-UHFFFAOYSA-N -1 1 383.458 3.699 20 30 GHEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1Br ZINC001198075203 874199930 /nfs/dbraw/zinc/19/99/30/874199930.db2.gz NMENEJVMDJMZJS-UHFFFAOYSA-N -1 1 395.278 3.693 20 30 GHEDMM Cc1cc2c(cc1C)C(N=Nc1nc3c(cnn3C(C)(C)C)c(=O)[n-]1)CCCO2 ZINC000769814182 874304732 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OQVUCMJRPVAAOU-LLVKDONJSA-N -1 1 394.449 3.719 20 30 GHEDMM CCOc1cc2c(cc1OCC)CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)CC2 ZINC000737192813 600562478 /nfs/dbraw/zinc/56/24/78/600562478.db2.gz BEJJQXSEPDMHHF-OAQYLSRUSA-N -1 1 380.444 3.540 20 30 GHEDMM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826268817 607519935 /nfs/dbraw/zinc/51/99/35/607519935.db2.gz OSJAJLCWAYHLBO-UHFFFAOYSA-N -1 1 399.433 3.788 20 30 GHEDMM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826268817 607519936 /nfs/dbraw/zinc/51/99/36/607519936.db2.gz OSJAJLCWAYHLBO-UHFFFAOYSA-N -1 1 399.433 3.788 20 30 GHEDMM COc1ccc2nc(NN=C(C)c3ccc(OCC(=O)[O-])cc3)c(C)cc2c1 ZINC000833734728 605287971 /nfs/dbraw/zinc/28/79/71/605287971.db2.gz DDCNGBVXLPYOLQ-UHFFFAOYSA-N -1 1 379.416 3.851 20 30 GHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)c3cccnc23)o1 ZINC000819966246 607148090 /nfs/dbraw/zinc/14/80/90/607148090.db2.gz ZGZUZXHADFVHLZ-UHFFFAOYSA-N -1 1 396.842 3.800 20 30 GHEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(Br)c1 ZINC000826286278 608091883 /nfs/dbraw/zinc/09/18/83/608091883.db2.gz XGCUTPDKGOBDKO-PLNGDYQASA-N -1 1 375.251 3.895 20 30 GHEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(Br)c1 ZINC000826286278 608091884 /nfs/dbraw/zinc/09/18/84/608091884.db2.gz XGCUTPDKGOBDKO-PLNGDYQASA-N -1 1 375.251 3.895 20 30 GHEDMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826332201 608091994 /nfs/dbraw/zinc/09/19/94/608091994.db2.gz MPVPHLHDIGSSRI-CMDGGOBGSA-N -1 1 376.445 3.627 20 30 GHEDMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826332201 608091995 /nfs/dbraw/zinc/09/19/95/608091995.db2.gz MPVPHLHDIGSSRI-CMDGGOBGSA-N -1 1 376.445 3.627 20 30 GHEDMM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826399778 608093925 /nfs/dbraw/zinc/09/39/25/608093925.db2.gz FULZTIGPLPCLKO-RQOWECAXSA-N -1 1 379.214 3.726 20 30 GHEDMM O=C(C=Cc1ccc(Br)cc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826399778 608093926 /nfs/dbraw/zinc/09/39/26/608093926.db2.gz FULZTIGPLPCLKO-RQOWECAXSA-N -1 1 379.214 3.726 20 30 GHEDMM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000824114458 609308635 /nfs/dbraw/zinc/30/86/35/609308635.db2.gz RRGMBMUXEVRXGE-BQYQJAHWSA-N -1 1 382.445 3.780 20 30 GHEDMM CC(C)(C)OC(=O)c1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000824114458 609308637 /nfs/dbraw/zinc/30/86/37/609308637.db2.gz RRGMBMUXEVRXGE-BQYQJAHWSA-N -1 1 382.445 3.780 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000584428348 834585713 /nfs/dbraw/zinc/58/57/13/834585713.db2.gz RKSBOWFMTNMTKM-HUUCEWRRSA-N -1 1 384.379 3.785 20 30 GHEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000255686807 835568447 /nfs/dbraw/zinc/56/84/47/835568447.db2.gz NNAKCQOPRRDAKX-XFSBKJJWSA-N -1 1 388.338 3.763 20 30 GHEDMM C=CCCO[C@H](C)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000177044996 835588401 /nfs/dbraw/zinc/58/84/01/835588401.db2.gz MXFLDXVZWAHYNK-CYBMUJFWSA-N -1 1 384.457 3.676 20 30 GHEDMM COc1ccc([N-]S(=O)(=O)c2cccc(N=Cc3ccccc3O)c2)cc1 ZINC000255723172 835682418 /nfs/dbraw/zinc/68/24/18/835682418.db2.gz CFEWUAJXGVFRNA-UHFFFAOYSA-N -1 1 382.441 3.952 20 30 GHEDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)n1 ZINC000022931549 835707288 /nfs/dbraw/zinc/70/72/88/835707288.db2.gz OENUGLAESXRYIF-BIWSTMPVSA-N -1 1 376.526 3.546 20 30 GHEDMM CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188513040 836090885 /nfs/dbraw/zinc/09/08/85/836090885.db2.gz QTRAKCJJQYDVPX-UHFFFAOYSA-N -1 1 385.261 3.830 20 30 GHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000174737077 836533601 /nfs/dbraw/zinc/53/36/01/836533601.db2.gz OLJOEPVTXACACC-UHFFFAOYSA-N -1 1 386.477 3.529 20 30 GHEDMM CC(C)c1ncc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000122264355 838560450 /nfs/dbraw/zinc/56/04/50/838560450.db2.gz CRDJYZUXZHJWPQ-LLVKDONJSA-N -1 1 398.513 3.933 20 30 GHEDMM Cc1c(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1Br ZINC000580148390 838966555 /nfs/dbraw/zinc/96/65/55/838966555.db2.gz IDKHNGGXSZXAEG-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000683858777 839228361 /nfs/dbraw/zinc/22/83/61/839228361.db2.gz CYJHGQXDMXDPOS-OAQYLSRUSA-N -1 1 389.455 3.556 20 30 GHEDMM N#C[C@@H](C(=O)Nc1cccc(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155671958 839290020 /nfs/dbraw/zinc/29/00/20/839290020.db2.gz RDVKRFPKRYSVOR-CYBMUJFWSA-N -1 1 398.875 3.763 20 30 GHEDMM N#C[C@H](C(=O)Nc1cccc(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155671832 839290302 /nfs/dbraw/zinc/29/03/02/839290302.db2.gz RDVKRFPKRYSVOR-ZDUSSCGKSA-N -1 1 398.875 3.763 20 30 GHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000579657401 839630178 /nfs/dbraw/zinc/63/01/78/839630178.db2.gz WWIVQJWKFAIJQW-UHFFFAOYSA-N -1 1 383.404 3.994 20 30 GHEDMM CC(C)(CC#N)CNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000413401652 840035490 /nfs/dbraw/zinc/03/54/90/840035490.db2.gz FENAUYPDBSJURI-UHFFFAOYSA-N -1 1 380.420 3.512 20 30 GHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000416962022 840311295 /nfs/dbraw/zinc/31/12/95/840311295.db2.gz QCMBAEANRZWYJK-LLVKDONJSA-N -1 1 375.397 3.873 20 30 GHEDMM CCn1c(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc2ccccc21 ZINC000125389384 841508897 /nfs/dbraw/zinc/50/88/97/841508897.db2.gz FSRQTICRHJWVJO-INIZCTEOSA-N -1 1 397.442 3.662 20 30 GHEDMM CC(C)(C)SCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123453092 841774696 /nfs/dbraw/zinc/77/46/96/841774696.db2.gz YBJNWQZLXKUYFO-LLVKDONJSA-N -1 1 375.519 3.571 20 30 GHEDMM N#CC(=C([O-])c1cccc(OCC(F)(F)F)n1)c1ccc(C(F)(F)F)cn1 ZINC000123849556 841868744 /nfs/dbraw/zinc/86/87/44/841868744.db2.gz RNIWVGRBUMKKMB-SNVBAGLBSA-N -1 1 389.255 3.927 20 30 GHEDMM N#Cc1cscc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000432397390 842368194 /nfs/dbraw/zinc/36/81/94/842368194.db2.gz AWBQQFNWYOCMPG-UHFFFAOYSA-N -1 1 383.454 3.673 20 30 GHEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000098052328 842571760 /nfs/dbraw/zinc/57/17/60/842571760.db2.gz MPZZJAXVYVYMGU-GFCCVEGCSA-N -1 1 391.880 3.541 20 30 GHEDMM C[C@@H]1CCCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000729140510 844743889 /nfs/dbraw/zinc/74/38/89/844743889.db2.gz GOOUPQMOHGUVTE-CYBMUJFWSA-N -1 1 388.449 3.984 20 30 GHEDMM C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)C1CC1 ZINC000537933769 845987531 /nfs/dbraw/zinc/98/75/31/845987531.db2.gz KXMAIEIPFXSSNY-UHFFFAOYSA-N -1 1 384.501 3.895 20 30 GHEDMM C=CCCO[C@@H](C)C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000277561253 846974945 /nfs/dbraw/zinc/97/49/45/846974945.db2.gz RVFQNHDBMSLDPG-QMMMGPOBSA-N -1 1 393.075 3.837 20 30 GHEDMM C[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000023417181 847026199 /nfs/dbraw/zinc/02/61/99/847026199.db2.gz NZBUQKOAHIBBDN-NSHDSACASA-N -1 1 398.362 3.575 20 30 GHEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000116802687 848047981 /nfs/dbraw/zinc/04/79/81/848047981.db2.gz YPAGGOOUACTLCA-IERDGZPVSA-N -1 1 397.500 3.690 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)ccc1Cl ZINC000728514391 848173892 /nfs/dbraw/zinc/17/38/92/848173892.db2.gz KJWZISLDBGEDPK-UHFFFAOYSA-N -1 1 399.859 3.986 20 30 GHEDMM C=CCC1(c2nc(-c3cc(Br)c([O-])c(OC)c3)no2)CCOCC1 ZINC000424362852 850395209 /nfs/dbraw/zinc/39/52/09/850395209.db2.gz XXGHFMHKZSONBA-UHFFFAOYSA-N -1 1 395.253 3.838 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc([C@H]3CCCOC3)cc2)n1 ZINC000505681717 850445594 /nfs/dbraw/zinc/44/55/94/850445594.db2.gz LAQHGMOXFPMJSW-HOTGVXAUSA-N -1 1 384.457 3.704 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2C)ccc1C#N ZINC000435720116 850802455 /nfs/dbraw/zinc/80/24/55/850802455.db2.gz VIKYCOMZYOEQJV-UHFFFAOYSA-N -1 1 397.500 3.648 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(CC#N)CC3)cc2)c1 ZINC000435961726 851030016 /nfs/dbraw/zinc/03/00/16/851030016.db2.gz VUNDQSOPUIXWFD-UHFFFAOYSA-N -1 1 397.500 3.528 20 30 GHEDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)n1 ZINC000436202433 851314558 /nfs/dbraw/zinc/31/45/58/851314558.db2.gz LCQJQSJRAPJYLV-UHFFFAOYSA-N -1 1 399.520 3.881 20 30 GHEDMM N#Cc1cccnc1-n1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000436622509 852135545 /nfs/dbraw/zinc/13/55/45/852135545.db2.gz GUJWVMHCTKLLJW-UHFFFAOYSA-N -1 1 395.422 3.688 20 30 GHEDMM C[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCc2sccc2C1 ZINC000031854484 852328195 /nfs/dbraw/zinc/32/81/95/852328195.db2.gz JUBRAXBVAPRJEF-YXZFXQPTSA-N -1 1 379.869 3.881 20 30 GHEDMM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1nc2ccccc2o1 ZINC000489857217 852611334 /nfs/dbraw/zinc/61/13/34/852611334.db2.gz QKXLUVHEOHFFCV-LBPRGKRZSA-N -1 1 379.326 3.836 20 30 GHEDMM Cc1nn(C)c(C)c1[C@@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000429601674 852901676 /nfs/dbraw/zinc/90/16/76/852901676.db2.gz MKJAZOQDPAPDGW-CYBMUJFWSA-N -1 1 383.267 3.627 20 30 GHEDMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)cn1 ZINC000427327914 852987106 /nfs/dbraw/zinc/98/71/06/852987106.db2.gz NKOLMWDKVKPDMR-UHFFFAOYSA-N -1 1 397.431 3.877 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)c(F)c1 ZINC000516833255 853050482 /nfs/dbraw/zinc/05/04/82/853050482.db2.gz NDVDDRBKXRKMAG-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C1CCCC1 ZINC000164345168 853918716 /nfs/dbraw/zinc/91/87/16/853918716.db2.gz JXZXIZZFLCUVFF-UHFFFAOYSA-N -1 1 396.512 3.814 20 30 GHEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000055579712 854012554 /nfs/dbraw/zinc/01/25/54/854012554.db2.gz MAMSBURVVWLNPZ-UHFFFAOYSA-N -1 1 384.244 3.624 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1OCC(F)(F)F ZINC000055595702 854014480 /nfs/dbraw/zinc/01/44/80/854014480.db2.gz VLCIQQNZFSAQGZ-UHFFFAOYSA-N -1 1 392.305 3.578 20 30 GHEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000056409130 854709019 /nfs/dbraw/zinc/70/90/19/854709019.db2.gz ATGBTHZOHNLYIQ-HNNXBMFYSA-N -1 1 399.516 3.726 20 30 GHEDMM COc1ccc(NC(=O)N[C@H](C)CC2CCCCC2)cc1[N-]S(C)(=O)=O ZINC000331113435 854808211 /nfs/dbraw/zinc/80/82/11/854808211.db2.gz CODGYQUJJSXKJY-CYBMUJFWSA-N -1 1 383.514 3.752 20 30 GHEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccc(N2CCOCC2)cc1 ZINC000057825692 855747300 /nfs/dbraw/zinc/74/73/00/855747300.db2.gz WPJRCPGSZLSUOF-XFSBKJJWSA-N -1 1 388.261 3.887 20 30 GHEDMM CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000591234524 855837731 /nfs/dbraw/zinc/83/77/31/855837731.db2.gz NJFIMXYRRDAASF-HNNXBMFYSA-N -1 1 379.460 3.760 20 30 GHEDMM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000108638715 855964413 /nfs/dbraw/zinc/96/44/13/855964413.db2.gz ARHVADIVRKDSGB-UHFFFAOYSA-N -1 1 380.473 3.727 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2Cc2ccccc2Br)c1 ZINC000591535766 856095389 /nfs/dbraw/zinc/09/53/89/856095389.db2.gz PURZGBVJNJJWRY-MRXNPFEDSA-N -1 1 385.261 3.874 20 30 GHEDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000172123833 856345808 /nfs/dbraw/zinc/34/58/08/856345808.db2.gz RZBDHVKTBPENFB-UHFFFAOYSA-N -1 1 385.489 3.586 20 30 GHEDMM N#Cc1cnc2ccccc2c1N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507923787 856696190 /nfs/dbraw/zinc/69/61/90/856696190.db2.gz VESIVQTVJGKZHS-UHFFFAOYSA-N -1 1 378.863 3.788 20 30 GHEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3cccc(Br)c3)c2)nc(C)n1 ZINC000592975431 857145216 /nfs/dbraw/zinc/14/52/16/857145216.db2.gz DNWFBAZUQYZZST-MRXNPFEDSA-N -1 1 396.248 3.532 20 30 GHEDMM Cc1oc(C2CC2)nc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000671745920 857798867 /nfs/dbraw/zinc/79/88/67/857798867.db2.gz YPXQLJLFVRBUDI-GFCCVEGCSA-N -1 1 394.456 3.940 20 30 GHEDMM N#C[C@H](C(=O)c1occ2c1CCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000671745938 857799086 /nfs/dbraw/zinc/79/90/86/857799086.db2.gz ZXEBOXNZJYPQGX-CYBMUJFWSA-N -1 1 379.441 3.847 20 30 GHEDMM COc1ccc(CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H](C)C2CC2)c(OC)c1 ZINC000594360524 858103530 /nfs/dbraw/zinc/10/35/30/858103530.db2.gz MRMGQWGZKJFGDQ-AWEZNQCLSA-N -1 1 380.444 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394.452 3.947 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c(C(F)(F)F)c1 ZINC001259368966 1045103388 /nfs/dbraw/zinc/10/33/88/1045103388.db2.gz HNIVYUREKHDCLA-UHFFFAOYSA-N -1 1 392.362 3.564 20 30 GHEDMM C[C@@](C#N)([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccccc1Cl ZINC001259399022 1045123304 /nfs/dbraw/zinc/12/33/04/1045123304.db2.gz UILQELVPJUBROZ-INIZCTEOSA-N -1 1 377.878 3.667 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1F ZINC001259417346 1045136679 /nfs/dbraw/zinc/13/66/79/1045136679.db2.gz PSSOYAYYOASOMQ-UHFFFAOYSA-N -1 1 376.743 3.753 20 30 GHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1Br ZINC001259418920 1045138062 /nfs/dbraw/zinc/13/80/62/1045138062.db2.gz YGWUFHVIKJXQJT-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM N#Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1Br ZINC001259470494 1045182766 /nfs/dbraw/zinc/18/27/66/1045182766.db2.gz QUEUFNWKXYZQNY-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM N#CCc1cccc(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])c1 ZINC001298026051 1045679463 /nfs/dbraw/zinc/67/94/63/1045679463.db2.gz SYKIGNKLRVLYLN-UHFFFAOYSA-N -1 1 393.321 3.821 20 30 GHEDMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@@H]1C ZINC001309005459 1050264670 /nfs/dbraw/zinc/26/46/70/1050264670.db2.gz OJFVWZOBBFTMOX-RULNRJAQSA-N -1 1 389.290 3.563 20 30 GHEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cccc(-c2c(F)cccc2F)c1 ZINC001335866163 1052193817 /nfs/dbraw/zinc/19/38/17/1052193817.db2.gz IPYHPYNRKGQAOL-UHFFFAOYSA-N -1 1 398.390 3.511 20 30 GHEDMM C=C(C)Cn1c(C2CCCCC2)nnc1N1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC001343520185 1053835378 /nfs/dbraw/zinc/83/53/78/1053835378.db2.gz UBEAIKWWGOUGPY-MRXNPFEDSA-N -1 1 398.511 3.748 20 30 GHEDMM N#CC(=C([O-])c1ccn(CCC(F)(F)F)n1)c1nc2c(cccc2Cl)[nH]1 ZINC001344368062 1054388718 /nfs/dbraw/zinc/38/87/18/1054388718.db2.gz LBDZCJHHJNIXDY-SECBINFHSA-N -1 1 381.745 3.855 20 30 GHEDMM CCn1ccnc1C(C#N)=C([O-])c1c(C)nn(Cc2ccc(C)cc2)c1Cl ZINC001344875100 1054780561 /nfs/dbraw/zinc/78/05/61/1054780561.db2.gz JOWIWUCQNOOLMR-INIZCTEOSA-N -1 1 381.867 3.908 20 30 GHEDMM COc1cccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)c1OC ZINC001322509186 1056735493 /nfs/dbraw/zinc/73/54/93/1056735493.db2.gz NLDUTXZWJPZSRU-CQSZACIVSA-N -1 1 380.778 3.830 20 30 GHEDMM N#C[C@@H](NC(=O)c1ncc2ccccc2c1[O-])c1ccc(Br)cc1 ZINC001441058033 1058694257 /nfs/dbraw/zinc/69/42/57/1058694257.db2.gz MPUWFWRYBIMIDW-OAHLLOKOSA-N -1 1 382.217 3.698 20 30 GHEDMM C=CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001448924028 1060298804 /nfs/dbraw/zinc/29/88/04/1060298804.db2.gz PODTWJFSLZXKFL-UHFFFAOYSA-N -1 1 378.881 3.837 20 30 GHEDMM CCC(CC)(NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nn[n-]n1 ZINC001449014605 1060316415 /nfs/dbraw/zinc/31/64/15/1060316415.db2.gz KRDAARYCJJGXHC-UHFFFAOYSA-N -1 1 392.488 3.668 20 30 GHEDMM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC001457032926 1062954903 /nfs/dbraw/zinc/95/49/03/1062954903.db2.gz ATGGKJXWGHSXLF-HNNXBMFYSA-N -1 1 382.888 3.911 20 30 GHEDMM O=C(c1c([O-])cnc2c(Br)cccc21)N(O)Cc1ccc(F)cc1 ZINC001458016850 1063509210 /nfs/dbraw/zinc/50/92/10/1063509210.db2.gz OBIXXCIIIIGVJU-UHFFFAOYSA-N -1 1 391.196 3.874 20 30 GHEDMM Cc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC001466685147 1066255602 /nfs/dbraw/zinc/25/56/02/1066255602.db2.gz ZRVWWGDGKRRKIJ-MRXNPFEDSA-N -1 1 398.488 3.563 20 30 GHEDMM CCOC(=O)CCc1c(C)nc(SCc2cc(Cl)cc(C#N)c2)[n-]c1=O ZINC001473079529 1073772721 /nfs/dbraw/zinc/77/27/21/1073772721.db2.gz MGSJAMMDZUTCQV-UHFFFAOYSA-N -1 1 391.880 3.804 20 30 GHEDMM N#Cc1cc2c(nc1NCc1cccc(-c3ccc(-c4nn[n-]n4)s3)c1)CCC2 ZINC000737708720 598854628 /nfs/dbraw/zinc/85/46/28/598854628.db2.gz FTVOLLNLUTXRDQ-UHFFFAOYSA-N -1 1 399.483 3.963 20 30 GHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(-c3c(F)cccc3F)o2)o1 ZINC000735940109 599009874 /nfs/dbraw/zinc/00/98/74/599009874.db2.gz WBDOFDKEKFOJNO-UHFFFAOYSA-N -1 1 399.361 3.962 20 30 GHEDMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC2CCCC2)c1 ZINC000832340215 601307230 /nfs/dbraw/zinc/30/72/30/601307230.db2.gz AWMRYUNUXPUCMN-OAQYLSRUSA-N -1 1 380.444 3.804 20 30 GHEDMM N#CCOc1ccc(CN[C@H](CNC(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000833966207 605973739 /nfs/dbraw/zinc/97/37/39/605973739.db2.gz BVUWAJGJNBYSOT-OAQYLSRUSA-N -1 1 375.428 3.841 20 30 GHEDMM N#Cc1ccc(C=C2CSCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825680 606389176 /nfs/dbraw/zinc/38/91/76/606389176.db2.gz LEZRMSNHSZWMFF-YOYBCKCWSA-N -1 1 397.510 3.644 20 30 GHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Br)cc1F ZINC000822924098 607122980 /nfs/dbraw/zinc/12/29/80/607122980.db2.gz XDYTVWGPGHBGAY-GORDUTHDSA-N -1 1 379.214 3.726 20 30 GHEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1cc(C)ccc1OC ZINC000825028222 608218471 /nfs/dbraw/zinc/21/84/71/608218471.db2.gz GCTLAPHBDVWHQV-UHFFFAOYSA-N -1 1 383.456 3.596 20 30 GHEDMM CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000569638961 835456093 /nfs/dbraw/zinc/45/60/93/835456093.db2.gz OYXFVRHOXARHMF-LBPRGKRZSA-N -1 1 379.338 3.712 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)n[nH]2)ccc1Cl ZINC000610769242 844158082 /nfs/dbraw/zinc/15/80/82/844158082.db2.gz XHSYYXANIPWGOV-UHFFFAOYSA-N -1 1 386.864 3.521 20 30 GHEDMM C[C@H]1C[C@H]1c1cc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)n[nH]1 ZINC000579901572 837014620 /nfs/dbraw/zinc/01/46/20/837014620.db2.gz WSROMTKASLLVJS-XHDPSFHLSA-N -1 1 378.461 3.518 20 30 GHEDMM N#Cc1cc([N-]C(=O)c2cnc(Br)s2)c(Cl)c([N+](=O)[O-])c1 ZINC001266467203 837095655 /nfs/dbraw/zinc/09/56/55/837095655.db2.gz IWOTVLDOPIRWNV-UHFFFAOYSA-N -1 1 387.602 3.591 20 30 GHEDMM CC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000122179372 837920567 /nfs/dbraw/zinc/92/05/67/837920567.db2.gz MPBYRWJYGPEVQD-ZDUSSCGKSA-N -1 1 396.827 3.739 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(C#N)CCC3)cc2)c1 ZINC000416362759 839057725 /nfs/dbraw/zinc/05/77/25/839057725.db2.gz XKSOXSKCOBQAEG-UHFFFAOYSA-N -1 1 397.500 3.528 20 30 GHEDMM CC[C@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000188119589 840869722 /nfs/dbraw/zinc/86/97/22/840869722.db2.gz OWPWATMRHOLBPM-MRXNPFEDSA-N -1 1 390.436 3.784 20 30 GHEDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1F ZINC000126442985 841077804 /nfs/dbraw/zinc/07/78/04/841077804.db2.gz SOMOHURVZKVVPS-UHFFFAOYSA-N -1 1 392.305 3.665 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)ccc1C#N ZINC000432472138 842617942 /nfs/dbraw/zinc/61/79/42/842617942.db2.gz NCSGSRVXGCXVMO-UHFFFAOYSA-N -1 1 380.429 3.595 20 30 GHEDMM COC(=O)[C@@H]1C[C@H]1c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000601978829 843060372 /nfs/dbraw/zinc/06/03/72/843060372.db2.gz UZFSWAHJUAONDW-RBUKOAKNSA-N -1 1 398.484 3.565 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C#N)C3CC3)cc2)cc1C ZINC000176069307 843174212 /nfs/dbraw/zinc/17/42/12/843174212.db2.gz JOHHGAFWHULZBC-LJQANCHMSA-N -1 1 384.457 3.563 20 30 GHEDMM C=CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1)C(C)C ZINC000728868412 843290225 /nfs/dbraw/zinc/29/02/25/843290225.db2.gz JZOJCZGHSIYXME-UHFFFAOYSA-N -1 1 390.480 3.972 20 30 GHEDMM C=CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C)C(C)C ZINC000728869149 843296012 /nfs/dbraw/zinc/29/60/12/843296012.db2.gz XUQPKAKUPNZNNG-UHFFFAOYSA-N -1 1 390.480 3.972 20 30 GHEDMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432776273 843783130 /nfs/dbraw/zinc/78/31/30/843783130.db2.gz ZZTVMMXQRRNREO-UHFFFAOYSA-N -1 1 395.278 3.658 20 30 GHEDMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3C)cc2c1C ZINC000473481637 843833911 /nfs/dbraw/zinc/83/39/11/843833911.db2.gz ONNNMBRCPLCRBD-UHFFFAOYSA-N -1 1 398.440 3.899 20 30 GHEDMM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502837428 846532318 /nfs/dbraw/zinc/53/23/18/846532318.db2.gz IJQWTGNVPFBIQW-UHFFFAOYSA-N -1 1 378.837 3.834 20 30 GHEDMM CCCCC1CCC(c2cc([N-]S(=O)(=O)c3cncc(C#N)c3)[nH]n2)CC1 ZINC000582887658 848636972 /nfs/dbraw/zinc/63/69/72/848636972.db2.gz GBNICSVGCTUOEJ-UHFFFAOYSA-N -1 1 387.509 3.941 20 30 GHEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1 ZINC000425186484 849766465 /nfs/dbraw/zinc/76/64/65/849766465.db2.gz AOKSZPDINQNWOJ-IONNQARKSA-N -1 1 398.109 3.726 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)ccc1C(F)(F)F ZINC000514581287 850021239 /nfs/dbraw/zinc/02/12/39/850021239.db2.gz QOMZNUYRXWZTML-CYBMUJFWSA-N -1 1 396.390 3.882 20 30 GHEDMM CCn1c(C)cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000048817331 851497121 /nfs/dbraw/zinc/49/71/21/851497121.db2.gz LQNRMVUIPIHIFQ-HNNXBMFYSA-N -1 1 394.500 3.792 20 30 GHEDMM C=CCOC(=O)[C@@H](Nc1ccc([C@H](C)[N-]C(=O)C(F)(F)F)cc1)[C@@H](C)CC ZINC001167961619 852660253 /nfs/dbraw/zinc/66/02/53/852660253.db2.gz DHEOPFCENRQLDJ-XEZPLFJOSA-N -1 1 386.414 3.982 20 30 GHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000438811891 852894457 /nfs/dbraw/zinc/89/44/57/852894457.db2.gz MKDBGPHTKGRFAO-UHFFFAOYSA-N -1 1 388.342 3.748 20 30 GHEDMM C[C@H](CC#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000439056676 853242770 /nfs/dbraw/zinc/24/27/70/853242770.db2.gz JDQAFDFOZNAZDO-SNVBAGLBSA-N -1 1 392.242 3.983 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c1 ZINC000589169379 854713192 /nfs/dbraw/zinc/71/31/92/854713192.db2.gz QGQYMPVPSHRNJB-NRFANRHFSA-N -1 1 398.422 3.560 20 30 GHEDMM COc1ccc(CC[C@H]2CCCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1OC ZINC000589188026 854739064 /nfs/dbraw/zinc/73/90/64/854739064.db2.gz HSBMBSSTCDBLKN-LJQANCHMSA-N -1 1 394.471 3.909 20 30 GHEDMM N#CC1(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000590126150 855290702 /nfs/dbraw/zinc/29/07/02/855290702.db2.gz MZENHQPICBFEBD-UHFFFAOYSA-N -1 1 389.864 3.773 20 30 GHEDMM C=CCn1c([C@H]2CC[C@@H](C)O2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000624840051 856452368 /nfs/dbraw/zinc/45/23/68/856452368.db2.gz RZHHXMXJIKCAJX-DNVCBOLYSA-N -1 1 396.491 3.509 20 30 GHEDMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172591306 856489984 /nfs/dbraw/zinc/48/99/84/856489984.db2.gz CSYFBCGXAZAGFP-UHFFFAOYSA-N -1 1 396.497 3.917 20 30 GHEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc3c(s2)CCC3)C1=O ZINC000906487135 857116430 /nfs/dbraw/zinc/11/64/30/857116430.db2.gz VFUCKTKBLPIMPW-IBGZPJMESA-N -1 1 377.510 3.553 20 30 GHEDMM C=C(CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000672480965 857384913 /nfs/dbraw/zinc/38/49/13/857384913.db2.gz XBHIOVVNDWBPRL-UHFFFAOYSA-N -1 1 392.480 3.931 20 30 GHEDMM CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000593201294 857389689 /nfs/dbraw/zinc/38/96/89/857389689.db2.gz YCAYNTIRUMXHQT-UHFFFAOYSA-N -1 1 385.489 3.864 20 30 GHEDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3OC)cc2[nH]1 ZINC000184864883 857548691 /nfs/dbraw/zinc/54/86/91/857548691.db2.gz LCQAIUVPJQGDHF-UHFFFAOYSA-N -1 1 384.461 3.587 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1OC(F)(F)F ZINC000442222432 857636684 /nfs/dbraw/zinc/63/66/84/857636684.db2.gz VQCQATKNLSIWSG-UHFFFAOYSA-N -1 1 376.743 3.911 20 30 GHEDMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F ZINC001212482814 857786390 /nfs/dbraw/zinc/78/63/90/857786390.db2.gz KSGHACYNZUKETE-FZMZJTMJSA-N -1 1 389.876 3.679 20 30 GHEDMM CCc1nc(SCC(=O)N(CCC#N)c2cccc(C)c2C)[n-]c(=O)c1C ZINC000521273418 857821233 /nfs/dbraw/zinc/82/12/33/857821233.db2.gz QXTGAOVMWXHJQX-UHFFFAOYSA-N -1 1 384.505 3.709 20 30 GHEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 ZINC000482637712 858725829 /nfs/dbraw/zinc/72/58/29/858725829.db2.gz WRLJPJISGXUYBL-LLVKDONJSA-N -1 1 375.222 3.741 20 30 GHEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2)n[nH]1 ZINC000160683363 859114388 /nfs/dbraw/zinc/11/43/88/859114388.db2.gz HLBQRAVIFKFVSU-UHFFFAOYSA-N -1 1 388.836 3.836 20 30 GHEDMM N#Cc1cc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c(Cl)c([N+](=O)[O-])c1 ZINC000764305168 859368252 /nfs/dbraw/zinc/36/82/52/859368252.db2.gz KCSVIWZLBDPPHI-LLVKDONJSA-N -1 1 378.797 3.680 20 30 GHEDMM CC[C@@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000102122708 860145568 /nfs/dbraw/zinc/14/55/68/860145568.db2.gz VIXCIDIBPYOTRX-GDBMZVCRSA-N -1 1 391.479 3.519 20 30 GHEDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000195082280 860419337 /nfs/dbraw/zinc/41/93/37/860419337.db2.gz WOGCQQRTSBORRK-LBPRGKRZSA-N -1 1 386.452 3.626 20 30 GHEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2cccnc2)cc1 ZINC000125864727 860803520 /nfs/dbraw/zinc/80/35/20/860803520.db2.gz PSTHLYIEZWDZIE-ZDUSSCGKSA-N -1 1 399.422 3.938 20 30 GHEDMM CSc1nc(C)c(CCC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c(=O)[n-]1 ZINC000603589460 860871002 /nfs/dbraw/zinc/87/10/02/860871002.db2.gz MFXRDWRNTRLMAX-UHFFFAOYSA-N -1 1 398.532 3.702 20 30 GHEDMM C=CCn1c(-c2sc(NC(=O)CC3(O)CCCCC3)nc2C)n[n-]c1=S ZINC000172797134 863999574 /nfs/dbraw/zinc/99/95/74/863999574.db2.gz KNFLXWGMPXJPAS-UHFFFAOYSA-N -1 1 393.538 3.582 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC(C)(C)CC#N)cc1 ZINC000184787783 864941367 /nfs/dbraw/zinc/94/13/67/864941367.db2.gz KDFKWTKWPUKXTE-UHFFFAOYSA-N -1 1 386.473 3.893 20 30 GHEDMM C=C(Cl)CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000736245328 865163589 /nfs/dbraw/zinc/16/35/89/865163589.db2.gz OTUSACIRTQFMBF-UHFFFAOYSA-N -1 1 378.881 3.587 20 30 GHEDMM CCn1ncc(Cl)c1C([O-])=C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000857010641 881927634 /nfs/dbraw/zinc/92/76/34/881927634.db2.gz SQBVELXBIASHAQ-NSHDSACASA-N -1 1 398.822 3.832 20 30 GHEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000121440978 866376046 /nfs/dbraw/zinc/37/60/46/866376046.db2.gz ZUDHEHNOCBODRG-UHFFFAOYSA-N -1 1 389.864 3.669 20 30 GHEDMM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1 ZINC000478695090 866482566 /nfs/dbraw/zinc/48/25/66/866482566.db2.gz IPCITUIRZOODBO-UHFFFAOYSA-N -1 1 390.827 3.552 20 30 GHEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000742029567 867017134 /nfs/dbraw/zinc/01/71/34/867017134.db2.gz JCCAKVLSTPDYCS-UHFFFAOYSA-N -1 1 386.256 3.815 20 30 GHEDMM CSc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2s1 ZINC000793350417 882147083 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N#C[C@@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C1CCCCC1 ZINC000769948475 874360014 /nfs/dbraw/zinc/36/00/14/874360014.db2.gz UNBKWLJMFBSLAU-CQSZACIVSA-N -1 1 399.369 3.705 20 30 GHEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1ccc2c(c1)COC2 ZINC001198841558 874677725 /nfs/dbraw/zinc/67/77/25/874677725.db2.gz OCUSZLMBXUHEJA-ZVBGSRNCSA-N -1 1 392.440 3.504 20 30 GHEDMM C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000465110264 875109153 /nfs/dbraw/zinc/10/91/53/875109153.db2.gz OOTVRXSRHLBTKB-LBPRGKRZSA-N -1 1 398.406 3.811 20 30 GHEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(-c2ccccc2)cnc1F ZINC001199729764 875151426 /nfs/dbraw/zinc/15/14/26/875151426.db2.gz SJNCSCCUNDPPEL-UHFFFAOYSA-N -1 1 381.388 3.860 20 30 GHEDMM C[C@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1cccs1 ZINC000121553087 875248658 /nfs/dbraw/zinc/24/86/58/875248658.db2.gz NKKJGQCDLYKTKP-JQWIXIFHSA-N -1 1 383.498 3.905 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)ccc2Cl)cc1C#N ZINC001201295684 875615683 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ZINC000656848071 842003684 /nfs/dbraw/zinc/00/36/84/842003684.db2.gz MNUORUDIZKTJDS-ZETCQYMHSA-N -1 1 388.230 3.913 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)cc1Cl ZINC000098052314 842555016 /nfs/dbraw/zinc/55/50/16/842555016.db2.gz WNFVUILYEHRLRL-UHFFFAOYSA-N -1 1 376.850 3.531 20 30 GHEDMM COc1cc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c(OC)cc1O ZINC000255394175 842829161 /nfs/dbraw/zinc/82/91/61/842829161.db2.gz RYHOMLDCHHGXIV-HYXAFXHYSA-N -1 1 379.206 3.774 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1C(F)(F)F ZINC000610583453 843111446 /nfs/dbraw/zinc/11/14/46/843111446.db2.gz MFIQKKLNAFCDCH-UHFFFAOYSA-N -1 1 398.362 3.539 20 30 GHEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(C)c1 ZINC000432773045 843765019 /nfs/dbraw/zinc/76/50/19/843765019.db2.gz ZEBDKCKEVDIJRS-UHFFFAOYSA-N -1 1 395.278 3.829 20 30 GHEDMM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000614325689 843992004 /nfs/dbraw/zinc/99/20/04/843992004.db2.gz DKABUTMYHYUVEL-UHFFFAOYSA-N -1 1 385.228 3.673 20 30 GHEDMM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000610914791 844845893 /nfs/dbraw/zinc/84/58/93/844845893.db2.gz JWKPKVFWHGJNFB-UHFFFAOYSA-N -1 1 399.241 3.659 20 30 GHEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000603977563 861528461 /nfs/dbraw/zinc/52/84/61/861528461.db2.gz NDNINZNTSBBPKN-UHFFFAOYSA-N -1 1 377.853 3.669 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000513396191 845352297 /nfs/dbraw/zinc/35/22/97/845352297.db2.gz PJTLACVXNLCXKK-UHFFFAOYSA-N -1 1 379.441 3.642 20 30 GHEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)c2C)o1 ZINC000183094391 846306813 /nfs/dbraw/zinc/30/68/13/846306813.db2.gz FXWFIOZIUPUXAX-UHFFFAOYSA-N -1 1 376.825 3.612 20 30 GHEDMM Cn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000588535238 847822188 /nfs/dbraw/zinc/82/21/88/847822188.db2.gz SQEAQZBCMHJDAZ-YBEGLDIGSA-N -1 1 388.423 3.776 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000439619608 850172111 /nfs/dbraw/zinc/17/21/11/850172111.db2.gz HANPYSHDLGTHKM-UHFFFAOYSA-N -1 1 387.358 3.949 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000439616976 850190832 /nfs/dbraw/zinc/19/08/32/850190832.db2.gz TZCYTMCAFZEVNZ-UHFFFAOYSA-N -1 1 380.267 3.553 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)ccc1C#N ZINC000435728061 850790062 /nfs/dbraw/zinc/79/00/62/850790062.db2.gz HRZKKHVDGBIMEW-UHFFFAOYSA-N -1 1 385.489 3.961 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)ccc1C#N ZINC000435720420 850805302 /nfs/dbraw/zinc/80/53/02/850805302.db2.gz YBYBSKFCBPUKBV-UHFFFAOYSA-N -1 1 397.431 3.781 20 30 GHEDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)n1 ZINC000435721349 850806257 /nfs/dbraw/zinc/80/62/57/850806257.db2.gz IBGSFMFJRDFIGK-UHFFFAOYSA-N -1 1 380.429 3.558 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1Cl ZINC000055639935 854042764 /nfs/dbraw/zinc/04/27/64/854042764.db2.gz NPTOWOKWUZZMNK-UHFFFAOYSA-N -1 1 380.853 3.832 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2cccc(F)c2)c2cccc(F)c2)o1 ZINC000588112861 854116047 /nfs/dbraw/zinc/11/60/47/854116047.db2.gz AEIKPZKMNLMYAG-GOSISDBHSA-N -1 1 388.395 3.692 20 30 GHEDMM N#CC(=C([O-])c1ccc2c(c1)SCC(=O)N2)c1nc(-c2ccncc2)cs1 ZINC000571933266 854255670 /nfs/dbraw/zinc/25/56/70/854255670.db2.gz JCVOVSOPPJURMS-ZDUSSCGKSA-N -1 1 392.465 3.739 20 30 GHEDMM O=C(N[C@H]1CCOC2(CCSCC2)C1)c1ccc(Br)c([O-])c1 ZINC000328980988 854640729 /nfs/dbraw/zinc/64/07/29/854640729.db2.gz XZRMOTHGNJFOKZ-LBPRGKRZSA-N -1 1 386.311 3.904 20 30 GHEDMM N#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)c1 ZINC000055652370 855370103 /nfs/dbraw/zinc/37/01/03/855370103.db2.gz BMIICGLNSSJYNT-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM N#CC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCCC1 ZINC000057431668 855405661 /nfs/dbraw/zinc/40/56/61/855405661.db2.gz YEGPVJZTFUTZST-UHFFFAOYSA-N -1 1 383.473 3.900 20 30 GHEDMM CC(C)c1nc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cs1 ZINC000171145673 855984324 /nfs/dbraw/zinc/98/43/24/855984324.db2.gz FSNHFNYJJATPTR-NSHDSACASA-N -1 1 398.513 3.933 20 30 GHEDMM N#Cc1c(Cl)cc(Br)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314942 881345066 /nfs/dbraw/zinc/34/50/66/881345066.db2.gz MHAPGDDDFSDKJP-UHFFFAOYSA-N -1 1 381.613 3.680 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C(F)(F)F ZINC000174743126 857375725 /nfs/dbraw/zinc/37/57/25/857375725.db2.gz YLBXFHHQAMJLBM-UHFFFAOYSA-N -1 1 377.347 3.926 20 30 GHEDMM C=CCSc1ccccc1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000486464484 857760256 /nfs/dbraw/zinc/76/02/56/857760256.db2.gz GBYQBNMIQXYNTC-UHFFFAOYSA-N -1 1 392.502 3.597 20 30 GHEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cc2ccccc2s1 ZINC000442784822 858123211 /nfs/dbraw/zinc/12/32/11/858123211.db2.gz QDPLTLVKJWWLGO-NSHDSACASA-N -1 1 387.442 3.721 20 30 GHEDMM C=C[C@](C)(CC)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000443067953 858335961 /nfs/dbraw/zinc/33/59/61/858335961.db2.gz HMZJALDGIHDVDE-HXUWFJFHSA-N -1 1 390.480 3.845 20 30 GHEDMM N#Cc1cccc(OCc2cccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)c2)c1 ZINC000115342582 858500355 /nfs/dbraw/zinc/50/03/55/858500355.db2.gz SJHNOAKJOKRYAV-UHFFFAOYSA-N -1 1 387.321 3.526 20 30 GHEDMM CCOc1cc(-c2noc(C3(C#N)CC4(CC4)C3)n2)cc(Br)c1[O-] ZINC000601371755 859205167 /nfs/dbraw/zinc/20/51/67/859205167.db2.gz NBDOIUMOKVDHMB-UHFFFAOYSA-N -1 1 390.237 3.939 20 30 GHEDMM CCO[C@H](C)c1ncc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 ZINC000764301683 859365383 /nfs/dbraw/zinc/36/53/83/859365383.db2.gz DYXXLCNQFLDOGK-MRVPVSSYSA-N -1 1 380.813 3.926 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1C ZINC000317267178 859452730 /nfs/dbraw/zinc/45/27/30/859452730.db2.gz BLWIBQMXXDJLFE-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM C#CCOc1ccc(F)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765302138 859897928 /nfs/dbraw/zinc/89/79/28/859897928.db2.gz FDAHCYOLGRIJHK-UHFFFAOYSA-N -1 1 393.212 3.628 20 30 GHEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2[nH]nc3cc(C(=O)[O-])ccc23)S1 ZINC000765500249 860011408 /nfs/dbraw/zinc/01/14/08/860011408.db2.gz HVZVFSNXILKZER-CXUHLZMHSA-N -1 1 392.440 3.770 20 30 GHEDMM CC#CC[C@@H](NCc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl)C(=O)[O-] ZINC000904058049 860078511 /nfs/dbraw/zinc/07/85/11/860078511.db2.gz HABFGBJVGZYSDM-MRXNPFEDSA-N -1 1 380.275 3.503 20 30 GHEDMM N#CC1CCC(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000281984466 863609089 /nfs/dbraw/zinc/60/90/89/863609089.db2.gz XCFGEMRCLNAFPA-UHFFFAOYSA-N -1 1 397.500 3.547 20 30 GHEDMM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000480209885 864271497 /nfs/dbraw/zinc/27/14/97/864271497.db2.gz PKWJABOKVDZTEM-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM C[C@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C#N)c1 ZINC000608470578 865345224 /nfs/dbraw/zinc/34/52/24/865345224.db2.gz RCGQNLUAZYNWSP-HNNXBMFYSA-N -1 1 377.444 3.629 20 30 GHEDMM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1-n1cncn1 ZINC000608553208 865452231 /nfs/dbraw/zinc/45/22/31/865452231.db2.gz ZLDMSZGRQREPGG-CQSZACIVSA-N -1 1 377.404 3.815 20 30 GHEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000766237252 865663996 /nfs/dbraw/zinc/66/39/96/865663996.db2.gz XGQHZGPBIYMWQB-UHFFFAOYSA-N -1 1 391.269 3.905 20 30 GHEDMM N#Cc1cc(F)c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c(F)c1 ZINC000444371123 865712659 /nfs/dbraw/zinc/71/26/59/865712659.db2.gz ZTKODEADEMGRGE-UHFFFAOYSA-N -1 1 399.397 3.857 20 30 GHEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)o3)n2)c1 ZINC000127184587 866049238 /nfs/dbraw/zinc/04/92/38/866049238.db2.gz AOIIMTAUCYTRBW-CQSZACIVSA-N -1 1 381.413 3.681 20 30 GHEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)=O)cs2)cc1Cl ZINC000741111691 866230721 /nfs/dbraw/zinc/23/07/21/866230721.db2.gz VYNCLTKJTPLTHL-LBPRGKRZSA-N -1 1 376.821 3.574 20 30 GHEDMM C=CCOC(=O)c1sc2[n-]c(-c3cc(OC4CCC4)ccn3)nc(=O)c2c1C ZINC000183641781 866990719 /nfs/dbraw/zinc/99/07/19/866990719.db2.gz AGMREPHQFSNBTG-UHFFFAOYSA-N -1 1 397.456 3.629 20 30 GHEDMM N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000156645712 868425009 /nfs/dbraw/zinc/42/50/09/868425009.db2.gz MFOCAXVEEUBEDT-KRWDZBQOSA-N -1 1 388.452 3.587 20 30 GHEDMM N#C[C@H](C(=O)[C@@H]1Cc2ccccc21)c1nc(=O)c2c([n-]1)sc1c2CCCC1 ZINC000744016999 868530450 /nfs/dbraw/zinc/53/04/50/868530450.db2.gz XDNAYVYWZRBKKG-HUUCEWRRSA-N -1 1 375.453 3.792 20 30 GHEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)c1C#N ZINC000440837924 868872031 /nfs/dbraw/zinc/87/20/31/868872031.db2.gz LTSUZRPSDVMCAR-UHFFFAOYSA-N -1 1 378.413 3.804 20 30 GHEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000525367241 870510904 /nfs/dbraw/zinc/51/09/04/870510904.db2.gz AEBVSMCJFDQEBV-OAHLLOKOSA-N -1 1 385.489 3.504 20 30 GHEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)c(Br)cc1Cl ZINC001193149111 870920106 /nfs/dbraw/zinc/92/01/06/870920106.db2.gz LKGNIQRKHYHFER-RXMQYKEDSA-N -1 1 391.596 3.775 20 30 GHEDMM C=CCCC(C)(C)C[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC001193386080 871070781 /nfs/dbraw/zinc/07/07/81/871070781.db2.gz LSJSTFMHARAZRY-DEOSSOPVSA-N -1 1 398.472 3.860 20 30 GHEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C ZINC000443409153 872272379 /nfs/dbraw/zinc/27/23/79/872272379.db2.gz MWWPHAVKAKAQFD-UHFFFAOYSA-N -1 1 397.378 3.645 20 30 GHEDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1[N+](=O)[O-] ZINC000191790303 882616608 /nfs/dbraw/zinc/61/66/08/882616608.db2.gz YPTDLLVXSDZVTF-UHFFFAOYSA-N -1 1 389.433 3.695 20 30 GHEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000746491838 872846932 /nfs/dbraw/zinc/84/69/32/872846932.db2.gz OAUXRJYATPDCKN-UHFFFAOYSA-N -1 1 389.477 3.736 20 30 GHEDMM COc1cccc([C@H](C#N)[N-]C(=O)C(F)(F)c2cccc(Cl)c2)c1OC ZINC000768155308 873118128 /nfs/dbraw/zinc/11/81/28/873118128.db2.gz DPMHINRMHRHODX-AWEZNQCLSA-N -1 1 380.778 3.830 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC001196487448 873132323 /nfs/dbraw/zinc/13/23/23/873132323.db2.gz DXHVHNPUEHGSLZ-UHFFFAOYSA-N -1 1 387.461 3.900 20 30 GHEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1F ZINC001196496167 873171175 /nfs/dbraw/zinc/17/11/75/873171175.db2.gz IKZOOZANFSTKJE-UHFFFAOYSA-N -1 1 390.436 3.955 20 30 GHEDMM N#Cc1cccc(NC(=S)Nc2ccc(I)cc2[O-])c1 ZINC001197716073 873970251 /nfs/dbraw/zinc/97/02/51/873970251.db2.gz DHEPPDLHRJDKBY-UHFFFAOYSA-N -1 1 395.225 3.677 20 30 GHEDMM CCC(Cc1ccc(Cl)cc1Cl)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769819242 874283959 /nfs/dbraw/zinc/28/39/59/874283959.db2.gz OPNIRLOJLSWDNN-UHFFFAOYSA-N -1 1 379.251 3.796 20 30 GHEDMM COc1ccc(CCC(C)=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)cc1 ZINC000769806951 874299435 /nfs/dbraw/zinc/29/94/35/874299435.db2.gz DXLBKPLHTAIQNF-UHFFFAOYSA-N -1 1 382.468 3.716 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C#N)cn2)c(C)c1 ZINC001198951653 874725374 /nfs/dbraw/zinc/72/53/74/874725374.db2.gz VCVKHYAGIIWGNR-UHFFFAOYSA-N -1 1 379.441 3.738 20 30 GHEDMM N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)nn2Cc2ccccc2)c([O-])c1 ZINC001199599664 875070618 /nfs/dbraw/zinc/07/06/18/875070618.db2.gz YSDHVGCVMJQUOL-UHFFFAOYSA-N -1 1 386.333 3.780 20 30 GHEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(C(F)(F)F)n2c1CCCC2 ZINC000528911007 875253199 /nfs/dbraw/zinc/25/31/99/875253199.db2.gz UDJNXSHUDCAXEW-NSHDSACASA-N -1 1 387.365 3.615 20 30 GHEDMM N#CCOc1ccccc1Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001212598079 875512030 /nfs/dbraw/zinc/51/20/30/875512030.db2.gz BSEYAUGSZNWRGD-CIAFOILYSA-N -1 1 377.429 3.867 20 30 GHEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC001201799365 875867121 /nfs/dbraw/zinc/86/71/21/875867121.db2.gz LWNSLIAORNANIL-UHFFFAOYSA-N -1 1 386.473 3.688 20 30 GHEDMM CC[C@@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000787089406 877140289 /nfs/dbraw/zinc/14/02/89/877140289.db2.gz LUGOCPVOAJPLKO-SFHVURJKSA-N -1 1 386.473 3.953 20 30 GHEDMM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C#N)c1ccccc1Br ZINC000787359826 877375486 /nfs/dbraw/zinc/37/54/86/877375486.db2.gz SIURRXHIVSKCBH-ZDUSSCGKSA-N -1 1 380.192 3.625 20 30 GHEDMM C=CCC1(C(=O)O[C@H]2C[C@@H]([N-]C(=O)C(F)(F)F)c3ccccc32)CCOCC1 ZINC000851178348 877477408 /nfs/dbraw/zinc/47/74/08/877477408.db2.gz KMHJNBVFCVXVSN-CVEARBPZSA-N -1 1 397.393 3.767 20 30 GHEDMM C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000851214515 877520106 /nfs/dbraw/zinc/52/01/06/877520106.db2.gz RBEZMXMQWMHOOJ-HNNXBMFYSA-N -1 1 386.473 3.973 20 30 GHEDMM N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCCCC1 ZINC000176588517 878317119 /nfs/dbraw/zinc/31/71/19/878317119.db2.gz NJZUWGJPUNOLCJ-HXUWFJFHSA-N -1 1 397.500 3.690 20 30 GHEDMM CO/N=C/c1ccc(C(=O)N2CCC(c3n[n-]c(=S)n3C(C)C)CC2)cc1 ZINC000068446567 878529997 /nfs/dbraw/zinc/52/99/97/878529997.db2.gz VCLVUBDEZUNULP-UDWIEESQSA-N -1 1 387.509 3.522 20 30 GHEDMM CC(Cc1ccc(Cl)c(C(F)(F)F)c1)=NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000853308188 878963051 /nfs/dbraw/zinc/96/30/51/878963051.db2.gz ZVVLIFFYKMXUJT-UHFFFAOYSA-N -1 1 398.776 3.772 20 30 GHEDMM O=S1(=O)[N-]C(=NN=C2CCCc3[nH]c4ccc(Cl)cc4c32)c2ccccc21 ZINC000790290795 879573372 /nfs/dbraw/zinc/57/33/72/879573372.db2.gz QKXKRTVFVZUVDJ-UHFFFAOYSA-N -1 1 398.875 3.600 20 30 GHEDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)ccc12 ZINC000461335964 879633741 /nfs/dbraw/zinc/63/37/41/879633741.db2.gz VOYLCLIABMOTCF-UHFFFAOYSA-N -1 1 394.378 3.573 20 30 GHEDMM C=CCCO[N-]C(=O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000856030518 880927603 /nfs/dbraw/zinc/92/76/03/880927603.db2.gz HBNKKKDMBBHNLD-RBBKRZOGSA-N -1 1 378.472 3.790 20 30 GHEDMM C=C(C)C(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856170849 881009062 /nfs/dbraw/zinc/00/90/62/881009062.db2.gz FEHKPPTUMJUTHF-HZPDHXFCSA-N -1 1 382.426 3.652 20 30 GHEDMM C=C(C)C[C@@H](C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856171317 881010074 /nfs/dbraw/zinc/01/00/74/881010074.db2.gz UGKAEXQAKIGJMY-DJIMGWMZSA-N -1 1 382.426 3.652 20 30 GHEDMM CC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000127532506 883928004 /nfs/dbraw/zinc/92/80/04/883928004.db2.gz AXLBHKRHLWYWBI-SFHVURJKSA-N -1 1 391.880 3.563 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(F)c1 ZINC000475804267 884052162 /nfs/dbraw/zinc/05/21/62/884052162.db2.gz BCRKODVEFMBXNU-UHFFFAOYSA-N -1 1 397.431 3.667 20 30 GHEDMM CC(C)(C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1ccc(C#N)cc1 ZINC000860048875 884291248 /nfs/dbraw/zinc/29/12/48/884291248.db2.gz JDRFRVJUGICDQC-UHFFFAOYSA-N -1 1 376.456 3.663 20 30 GHEDMM C=CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000116852863 884662977 /nfs/dbraw/zinc/66/29/77/884662977.db2.gz ZFFISDFQXMIWID-CQSZACIVSA-N -1 1 376.453 3.629 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c(=O)o1 ZINC000119549714 887238154 /nfs/dbraw/zinc/23/81/54/887238154.db2.gz DWHALCYGVPWZFZ-IWHGQQBYSA-N -1 1 383.381 3.552 20 30 GHEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ncc(I)s1 ZINC000794706673 887923145 /nfs/dbraw/zinc/92/31/45/887923145.db2.gz HIOQECHLEQCUPI-RMKNXTFCSA-N -1 1 383.210 3.666 20 30 GHEDMM CCOC(=O)CCc1c(C)c(CN=Nc2ccccc2C(=O)[O-])c2ccccn21 ZINC000915956515 888574004 /nfs/dbraw/zinc/57/40/04/888574004.db2.gz VMTYSCLBGKMBSE-UHFFFAOYSA-N -1 1 393.443 3.888 20 30 GHEDMM N=C(c1ccccc1N)N([O-])C(=O)[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC001184536424 913269639 /nfs/dbraw/zinc/26/96/39/913269639.db2.gz BQDHZARQPNJGHA-OAHLLOKOSA-N -1 1 394.328 3.778 20 30 GHEDMM CCOc1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)ccc1O ZINC000916368898 888946958 /nfs/dbraw/zinc/94/69/58/888946958.db2.gz TYTLUEIIGAQRHB-UHFFFAOYSA-N -1 1 386.502 3.846 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c(F)c1 ZINC000532897699 889277172 /nfs/dbraw/zinc/27/71/72/889277172.db2.gz KJWVBLCHXVJQRK-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM CCCCN=Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000916657484 889281721 /nfs/dbraw/zinc/28/17/21/889281721.db2.gz CERKDQBZRBMIFE-UHFFFAOYSA-N -1 1 392.437 3.602 20 30 GHEDMM COCCCON=C(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000795055502 889793082 /nfs/dbraw/zinc/79/30/82/889793082.db2.gz MAKKHXQYPDLWQZ-UHFFFAOYSA-N -1 1 376.478 3.573 20 30 GHEDMM C#C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(Cl)cc1 ZINC000811959723 890160655 /nfs/dbraw/zinc/16/06/55/890160655.db2.gz VIROEPLRGQCSSY-HNNXBMFYSA-N -1 1 393.668 3.982 20 30 GHEDMM Cc1cc(Br)oc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910898 890412743 /nfs/dbraw/zinc/41/27/43/890412743.db2.gz KCDLGYJNEKYTJJ-SECBINFHSA-N -1 1 381.613 3.965 20 30 GHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000066629094 891125878 /nfs/dbraw/zinc/12/58/78/891125878.db2.gz QYLFPNOYABUMEM-UHFFFAOYSA-N -1 1 396.398 3.938 20 30 GHEDMM O=[N+]([O-])c1cc(CN=Nc2nc(C(F)(F)F)nc3ccccc32)ccc1[O-] ZINC000917215373 891636412 /nfs/dbraw/zinc/63/64/12/891636412.db2.gz OLNQJANIAIMFKV-UHFFFAOYSA-N -1 1 377.282 3.708 20 30 GHEDMM C=CCC(F)(F)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000815012931 893335776 /nfs/dbraw/zinc/33/57/76/893335776.db2.gz NZBKXXHDXALSOK-UHFFFAOYSA-N -1 1 380.416 3.946 20 30 GHEDMM C=CCCC[C@H](C)NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817782619 895902257 /nfs/dbraw/zinc/90/22/57/895902257.db2.gz SDXVWBRHKCOZBV-ZFWWWQNUSA-N -1 1 383.414 3.551 20 30 GHEDMM C=CCN(Cc1cccs1)C(=O)c1ccc(I)cc1[O-] ZINC001136048158 895951061 /nfs/dbraw/zinc/95/10/61/895951061.db2.gz UPSSHIIPXLLXJO-UHFFFAOYSA-N -1 1 399.253 3.887 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000130690092 897188308 /nfs/dbraw/zinc/18/83/08/897188308.db2.gz FOMDTVKKNICXFZ-HNNXBMFYSA-N -1 1 386.473 3.891 20 30 GHEDMM CN(Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000568405204 897812640 /nfs/dbraw/zinc/81/26/40/897812640.db2.gz JWWTYBDRGDGLCU-UHFFFAOYSA-N -1 1 377.469 3.995 20 30 GHEDMM C[C@]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)(C1CC1)C(F)(F)F ZINC000571626936 899930028 /nfs/dbraw/zinc/93/00/28/899930028.db2.gz LADLZXNJOFYYGN-NSHDSACASA-N -1 1 379.297 3.854 20 30 GHEDMM C#C[C@H]1CCCN(Cc2cnc(CCCC)n2Cc2ccc(C(=O)[O-])cc2)C1 ZINC001143754384 900501712 /nfs/dbraw/zinc/50/17/12/900501712.db2.gz IRXORYVTRDUNLE-SFHVURJKSA-N -1 1 379.504 3.817 20 30 GHEDMM COc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1C#N ZINC001186655938 914711219 /nfs/dbraw/zinc/71/12/19/914711219.db2.gz SKCYWAORWSZZQS-UHFFFAOYSA-N -1 1 394.452 3.947 20 30 GHEDMM N#Cc1ccccc1N1CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148861228 904232942 /nfs/dbraw/zinc/23/29/42/904232942.db2.gz OTANGRRTXOISNU-UHFFFAOYSA-N -1 1 383.451 3.893 20 30 GHEDMM CSc1nc(C)c(CCC(=O)Nc2cc(C(C)(C)C)sc2C#N)c(=O)[n-]1 ZINC000179543001 906524916 /nfs/dbraw/zinc/52/49/16/906524916.db2.gz MMPQZOQGPADWCG-UHFFFAOYSA-N -1 1 390.534 3.602 20 30 GHEDMM CC(=O)Nc1cccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1 ZINC001173831545 906727784 /nfs/dbraw/zinc/72/77/84/906727784.db2.gz QEZJQLYQQVBUTP-RGVLZGJSSA-N -1 1 379.445 3.924 20 30 GHEDMM N#Cc1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c(Cl)c1 ZINC001175492586 907572838 /nfs/dbraw/zinc/57/28/38/907572838.db2.gz PBCOPBJBCWLUJI-UHFFFAOYSA-N -1 1 376.287 3.888 20 30 GHEDMM CC(C)(C)c1noc([N-]c2ccccc2S(=O)(=O)N2CCCCC2)c1C#N ZINC001176023929 907888523 /nfs/dbraw/zinc/88/85/23/907888523.db2.gz HFASGWZUSPCZJK-UHFFFAOYSA-N -1 1 388.493 3.762 20 30 GHEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(Oc2ccccc2)cn1 ZINC000773765217 909197169 /nfs/dbraw/zinc/19/71/69/909197169.db2.gz VFBAXCKHFQRUEW-MRXNPFEDSA-N -1 1 392.802 3.883 20 30 GHEDMM COc1cc(Br)c([O-])c(NC(=O)CCc2cccc(C#N)c2)c1 ZINC001182344138 911515176 /nfs/dbraw/zinc/51/51/76/911515176.db2.gz MSNIFXLYHSBYHL-UHFFFAOYSA-N -1 1 375.222 3.606 20 30 GHEDMM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1coc(C2CCOCC2)n1 ZINC000802043394 921779260 /nfs/dbraw/zinc/77/92/60/921779260.db2.gz ZQLKSXLJURCXLS-KRWDZBQOSA-N -1 1 389.411 3.683 20 30 GHEDMM N#Cc1cnc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)c(Cl)c1 ZINC001188858384 916262094 /nfs/dbraw/zinc/26/20/94/916262094.db2.gz RRALUVZICFUOMS-UHFFFAOYSA-N -1 1 386.820 3.595 20 30 GHEDMM COc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC001188894697 916285002 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Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CCC#N)C(C)C)cc2)cc1C ZINC000608813753 865719736 /nfs/dbraw/zinc/71/97/36/865719736.db2.gz ATHKKQXGOBBRPN-UHFFFAOYSA-N -1 1 399.516 3.869 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@H](C#N)CC(C)C)c2)c1 ZINC000608821993 865755718 /nfs/dbraw/zinc/75/57/18/865755718.db2.gz AGWRUDCTCTYAQT-IBGZPJMESA-N -1 1 399.516 3.772 20 30 GHEDMM C=CCN1C(=O)c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2C1=O ZINC000445443726 868454412 /nfs/dbraw/zinc/45/44/12/868454412.db2.gz DGSCPVJKJUEZQE-UHFFFAOYSA-N -1 1 381.775 3.545 20 30 GHEDMM Cc1c(C(=O)Nc2ccc(C#N)cc2[O-])cnn1-c1ccc(Br)cc1 ZINC001192834848 870718891 /nfs/dbraw/zinc/71/88/91/870718891.db2.gz VWLUSNKWPLPSNH-UHFFFAOYSA-N -1 1 397.232 3.773 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)ccc1C#N ZINC000766549581 871025298 /nfs/dbraw/zinc/02/52/98/871025298.db2.gz ZXZYSFOTFFLOJB-UHFFFAOYSA-N -1 1 387.461 3.872 20 30 GHEDMM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2)n1 ZINC000619462494 872659102 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874215406 /nfs/dbraw/zinc/21/54/06/874215406.db2.gz NKBUIVQGZWLTQP-INIZCTEOSA-N -1 1 385.395 3.873 20 30 GHEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3sc4ncccc4c3Cl)n2)cc1 ZINC001126630485 875839255 /nfs/dbraw/zinc/83/92/55/875839255.db2.gz DGNCDJUWSPGKNH-UHFFFAOYSA-N -1 1 394.847 3.713 20 30 GHEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000443965754 877169422 /nfs/dbraw/zinc/16/94/22/877169422.db2.gz XOCSGNQHBGEKAZ-CQSZACIVSA-N -1 1 392.761 3.933 20 30 GHEDMM N#C[C@H](CC(=O)N([O-])C(=N)c1ccccc1N)c1c(Cl)cccc1Cl ZINC001183114700 912296706 /nfs/dbraw/zinc/29/67/06/912296706.db2.gz XYCMFENTXFPQOE-JTQLQIEISA-N -1 1 377.231 3.816 20 30 GHEDMM C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cc(Cl)c3ccccc3c2[O-])C1=O ZINC000774589265 912307565 /nfs/dbraw/zinc/30/75/65/912307565.db2.gz OMDMIYWMVJLEFV-NRFANRHFSA-N -1 1 393.830 4.000 20 30 GHEDMM Cc1cc(C)n(C2N=NC(=S)N2N=Cc2cc(Cl)c3ccccc3c2[O-])n1 ZINC000774590202 912314586 /nfs/dbraw/zinc/31/45/86/912314586.db2.gz SODVHGQLZQFBNJ-UHFFFAOYSA-N -1 1 398.879 3.764 20 30 GHEDMM COc1ccccc1C1N=NC(=S)N1N=Cc1c([O-])ccc(Cl)c1F ZINC000790147937 879483464 /nfs/dbraw/zinc/48/34/64/879483464.db2.gz CIRHTOQEOZWMCH-UHFFFAOYSA-N -1 1 378.816 3.623 20 30 GHEDMM Cc1ccc(NC(=O)C2(C#N)CC(C)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000531556669 880102209 /nfs/dbraw/zinc/10/22/09/880102209.db2.gz CMYKNOSNRXINCM-UHFFFAOYSA-N -1 1 383.473 3.674 20 30 GHEDMM C[C@H](C(=O)N([O-])C(=N)c1ccccc1N)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC001183449181 912540776 /nfs/dbraw/zinc/54/07/76/912540776.db2.gz YGVPCOLYHLCQMY-YOEHRIQHSA-N -1 1 379.460 3.527 20 30 GHEDMM C#C[C@H](CCC)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000791213582 880281685 /nfs/dbraw/zinc/28/16/85/880281685.db2.gz QLSCPLAHWSNRJR-GOSISDBHSA-N -1 1 384.501 3.636 20 30 GHEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185119873 880481654 /nfs/dbraw/zinc/48/16/54/880481654.db2.gz FWKSOZJRWQPDKT-SSDOTTSWSA-N -1 1 386.098 3.726 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)c1 ZINC000531808532 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20 30 GHEDMM N#CCCCNC(=O)[C@@H]1CC12CCN(Cc1cc(Cl)c([O-])c(Cl)c1)CC2 ZINC001275321348 913333496 /nfs/dbraw/zinc/33/34/96/913333496.db2.gz ANDXBKKOVDZVFI-AWEZNQCLSA-N -1 1 396.318 3.721 20 30 GHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cn(-c2ccccc2Br)nn1 ZINC000811692436 889899951 /nfs/dbraw/zinc/89/99/51/889899951.db2.gz ALKVXNZBFRLRIN-WQLSENKSSA-N -1 1 382.217 3.558 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)CC(C)(C)C#N)cc2)cc1C ZINC000497198277 890316009 /nfs/dbraw/zinc/31/60/09/890316009.db2.gz JAUYQPGUSDXHPM-UHFFFAOYSA-N -1 1 399.516 3.726 20 30 GHEDMM CSCCCCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123842428 891074877 /nfs/dbraw/zinc/07/48/77/891074877.db2.gz DSTVJPHSASXGFF-LBPRGKRZSA-N -1 1 375.519 3.573 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)N=Nc2cc(C)ncn2)cc1 ZINC000814846619 893233907 /nfs/dbraw/zinc/23/39/07/893233907.db2.gz VWLPCXXSWZEYQI-UHFFFAOYSA-N -1 1 395.488 3.730 20 30 GHEDMM CC(=NNCC(F)(F)F)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814904438 893266555 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397.431 3.574 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3cccc(F)c3)cc2)c(=O)o1 ZINC000796990154 932137939 /nfs/dbraw/zinc/13/79/39/932137939.db2.gz TXUIIXZDMNCDPQ-UKSYNSBOSA-N -1 1 380.371 3.633 20 30 GHEDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000799925918 933172471 /nfs/dbraw/zinc/17/24/71/933172471.db2.gz DTOXJQNHNOOHSC-UHFFFAOYSA-N -1 1 388.392 3.805 20 30 GHEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCc2ccsc2[C@H]1C ZINC001121601128 934711873 /nfs/dbraw/zinc/71/18/73/934711873.db2.gz BDTHVZFGYIISNO-GFCCVEGCSA-N -1 1 394.504 3.689 20 30 GHEDMM C=C(C)Cn1c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nnc1C(C)(F)F ZINC001122474572 934878708 /nfs/dbraw/zinc/87/87/08/934878708.db2.gz FJKPUTVUJVMKTF-UHFFFAOYSA-N -1 1 390.434 3.771 20 30 GHEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001122524597 934889568 /nfs/dbraw/zinc/88/95/68/934889568.db2.gz HBUYUQAAPTXNJS-QGZVFWFLSA-N -1 1 395.841 3.901 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@@H]3CC[C@H](C#N)C3)c2)c1 ZINC001122717380 934960834 /nfs/dbraw/zinc/96/08/34/934960834.db2.gz IGRFOGRTVNJKNY-FUHWJXTLSA-N -1 1 398.484 3.953 20 30 GHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c(C(F)F)nc3cnccn32)s1 ZINC001122890055 935020368 /nfs/dbraw/zinc/02/03/68/935020368.db2.gz TXWTUQTWWHRNBZ-VIFPVBQESA-N -1 1 375.404 3.911 20 30 GHEDMM CCn1ccnc1C(C#N)=C([O-])c1nn(-c2cccc(F)c2)c2c1CCCC2 ZINC001123232567 935124531 /nfs/dbraw/zinc/12/45/31/935124531.db2.gz AUYNXLQUTOMZAM-KRWDZBQOSA-N -1 1 377.423 3.597 20 30 GHEDMM C=CCn1c(SCc2ccc(-c3nnn[n-]3)o2)nnc1-c1cccc(C)c1 ZINC001573348732 947586765 /nfs/dbraw/zinc/58/67/65/947586765.db2.gz UGXXOUZUHIRFQC-UHFFFAOYSA-N -1 1 379.449 3.505 20 30 GHEDMM C=CCn1c(SCc2ccc(-c3nn[n-]n3)o2)nnc1-c1cccc(C)c1 ZINC001573348732 947586774 /nfs/dbraw/zinc/58/67/74/947586774.db2.gz UGXXOUZUHIRFQC-UHFFFAOYSA-N -1 1 379.449 3.505 20 30 GHEDMM N#Cc1ccc(-c2nnc(CN3CCC(c4ccccc4C(=O)[O-])CC3)o2)cc1 ZINC001594617253 956248296 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Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2)nn1 ZINC000610194671 835001099 /nfs/dbraw/zinc/00/10/99/835001099.db2.gz SPIVFOZYSXZQCT-UHFFFAOYSA-N -1 1 380.429 3.558 20 30 GHEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000023155395 835019515 /nfs/dbraw/zinc/01/95/15/835019515.db2.gz FDNGDDPDETYDFU-UHFFFAOYSA-N -1 1 384.501 3.918 20 30 GHEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1C1CCOCC1 ZINC000179424046 835558973 /nfs/dbraw/zinc/55/89/73/835558973.db2.gz LQOHLFMWVVCWJF-CQSZACIVSA-N -1 1 399.401 3.778 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)cc1[O-] ZINC000188295752 835686993 /nfs/dbraw/zinc/68/69/93/835686993.db2.gz CELNRWQHWBJXDM-QGZVFWFLSA-N -1 1 395.217 3.923 20 30 GHEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1C ZINC000134773220 835951614 /nfs/dbraw/zinc/95/16/14/835951614.db2.gz LFOMSTAEMPDUSB-UHFFFAOYSA-N -1 1 382.363 3.889 20 30 GHEDMM CCC[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nn[n-]n1 ZINC000136735584 836431039 /nfs/dbraw/zinc/43/10/39/836431039.db2.gz WYQMFHKSCNGEIR-INIZCTEOSA-N -1 1 396.838 3.788 20 30 GHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(Cl)c1 ZINC000188601490 836818987 /nfs/dbraw/zinc/81/89/87/836818987.db2.gz SQDAGHDTOGNPOS-UHFFFAOYSA-N -1 1 395.824 3.708 20 30 GHEDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2o1 ZINC000177620622 838036189 /nfs/dbraw/zinc/03/61/89/838036189.db2.gz XIENVDIFJLIRQY-UHFFFAOYSA-N -1 1 381.335 3.828 20 30 GHEDMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc21 ZINC000177621865 838049305 /nfs/dbraw/zinc/04/93/05/838049305.db2.gz BRMGCMBTQILWOB-UHFFFAOYSA-N -1 1 394.378 3.747 20 30 GHEDMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000122684645 838114647 /nfs/dbraw/zinc/11/46/47/838114647.db2.gz FWUHFRSZLHJISR-UHFFFAOYSA-N -1 1 395.843 3.890 20 30 GHEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc(-c2ccccc2)cs1 ZINC000041522752 838651781 /nfs/dbraw/zinc/65/17/81/838651781.db2.gz UHBMJGWMGWPRMY-CQSZACIVSA-N -1 1 375.409 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ZINC000730947916 861366807 /nfs/dbraw/zinc/36/68/07/861366807.db2.gz OWRVSXNXUFUIIA-UHFFFAOYSA-N -1 1 390.399 3.890 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)ncc1Br ZINC000588481879 844915124 /nfs/dbraw/zinc/91/51/24/844915124.db2.gz GCNNGPLWTYPWPK-PLNGDYQASA-N -1 1 398.669 3.782 20 30 GHEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000609379350 845495211 /nfs/dbraw/zinc/49/52/11/845495211.db2.gz DJOZWVWXOKEXLH-UHFFFAOYSA-N -1 1 392.502 3.518 20 30 GHEDMM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614298694 845554870 /nfs/dbraw/zinc/55/48/70/845554870.db2.gz YOTJSACFFCTFQN-UHFFFAOYSA-N -1 1 389.224 3.994 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)c3ccccc3)c2)cc1 ZINC000115312737 845752256 /nfs/dbraw/zinc/75/22/56/845752256.db2.gz KJBVFCPWRMRUCI-SANMLTNESA-N -1 1 396.493 3.667 20 30 GHEDMM C=CC[C@H]1N(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCC1(C)C ZINC000277851000 848219644 /nfs/dbraw/zinc/21/96/44/848219644.db2.gz CLRLGHJLJYGLFA-GOSISDBHSA-N -1 1 380.492 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851565047 /nfs/dbraw/zinc/56/50/47/851565047.db2.gz CDRNQECEERJTSY-UHFFFAOYSA-N -1 1 376.372 3.503 20 30 GHEDMM N#Cc1cccc(COc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2F)c1 ZINC000436988255 852576625 /nfs/dbraw/zinc/57/66/25/852576625.db2.gz WWLPGQMXUQASQA-UHFFFAOYSA-N -1 1 390.370 3.803 20 30 GHEDMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427214326 852870347 /nfs/dbraw/zinc/87/03/47/852870347.db2.gz YORGCEDLBXNRCQ-UHFFFAOYSA-N -1 1 389.452 3.791 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)c1 ZINC000481853166 862403917 /nfs/dbraw/zinc/40/39/17/862403917.db2.gz GMSVXGORULMWIY-UHFFFAOYSA-N -1 1 392.484 3.898 20 30 GHEDMM COCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)o1 ZINC000126601326 853007899 /nfs/dbraw/zinc/00/78/99/853007899.db2.gz VQVZHJSFFYIFQY-CYBMUJFWSA-N -1 1 380.372 3.702 20 30 GHEDMM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2)ccn1 ZINC000427345282 853008398 /nfs/dbraw/zinc/00/83/98/853008398.db2.gz NTCPWIQGQHZRMR-UHFFFAOYSA-N -1 1 394.387 3.557 20 30 GHEDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1F ZINC000507619834 853115349 /nfs/dbraw/zinc/11/53/49/853115349.db2.gz HQMOXHSILJQVGU-UHFFFAOYSA-N -1 1 386.326 3.720 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000055590457 854015492 /nfs/dbraw/zinc/01/54/92/854015492.db2.gz OSAXQXOFALXJJK-UHFFFAOYSA-N -1 1 394.452 3.947 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(Br)c2)n1 ZINC000473925901 854288226 /nfs/dbraw/zinc/28/82/26/854288226.db2.gz BLQNPHXXONLYPU-NSHDSACASA-N -1 1 393.262 3.881 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)c1 ZINC000589169380 854713276 /nfs/dbraw/zinc/71/32/76/854713276.db2.gz QGQYMPVPSHRNJB-OAQYLSRUSA-N -1 1 398.422 3.560 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)NCCCCc2nc(-c3cccnc3)cs2)c1 ZINC000589178085 854719530 /nfs/dbraw/zinc/71/95/30/854719530.db2.gz YGCCQLRRCAGUPT-UHFFFAOYSA-N -1 1 378.457 3.535 20 30 GHEDMM N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000106749301 855293439 /nfs/dbraw/zinc/29/34/39/855293439.db2.gz AGBXDJKADYHPPG-UHFFFAOYSA-N -1 1 391.284 3.879 20 30 GHEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055633196 855362023 /nfs/dbraw/zinc/36/20/23/855362023.db2.gz UYVGSCIDURCCHC-UHFFFAOYSA-N -1 1 394.880 3.566 20 30 GHEDMM CN(C(=O)c1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1)c1ccccc1 ZINC000055650361 855369146 /nfs/dbraw/zinc/36/91/46/855369146.db2.gz JRUJSIRTKRQPMO-UHFFFAOYSA-N -1 1 391.452 3.636 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000172591100 856490402 /nfs/dbraw/zinc/49/04/02/856490402.db2.gz CMDDQHYDRCNMNT-UHFFFAOYSA-N -1 1 388.489 3.609 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@]3(C#N)CC3(C)C)cc2)cc1C ZINC000427893355 856850019 /nfs/dbraw/zinc/85/00/19/856850019.db2.gz PCBNFDKDHFRQGR-NRFANRHFSA-N -1 1 397.500 3.526 20 30 GHEDMM COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(-c4ccc(C#N)o4)nc3c2)cc1 ZINC000173740446 857120582 /nfs/dbraw/zinc/12/05/82/857120582.db2.gz YGUJWBPRYCTYBV-UHFFFAOYSA-N -1 1 394.412 3.504 20 30 GHEDMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593198255 857387849 /nfs/dbraw/zinc/38/78/49/857387849.db2.gz DQNRKGFPTVAUHZ-UHFFFAOYSA-N -1 1 399.516 3.817 20 30 GHEDMM Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000906991266 857419371 /nfs/dbraw/zinc/41/93/71/857419371.db2.gz KPRGFHAJYWEOGG-UHFFFAOYSA-N -1 1 376.456 3.545 20 30 GHEDMM COCc1nc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)ccc2o1 ZINC000593276826 857475085 /nfs/dbraw/zinc/47/50/85/857475085.db2.gz WKJNJWNBIVSDFD-UHFFFAOYSA-N -1 1 385.445 3.576 20 30 GHEDMM N#Cc1cccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000046818032 858505196 /nfs/dbraw/zinc/50/51/96/858505196.db2.gz FMUHMHPREHMFRM-UHFFFAOYSA-N -1 1 377.425 3.611 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000543164211 858696270 /nfs/dbraw/zinc/69/62/70/858696270.db2.gz JUBXFWYCCODIRG-UHFFFAOYSA-N -1 1 388.420 3.987 20 30 GHEDMM Cc1ccc(C(=O)O[C@@H](C)CC#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000761186125 859002825 /nfs/dbraw/zinc/00/28/25/859002825.db2.gz UDYFIMAQIFDEPK-ZDUSSCGKSA-N -1 1 392.864 3.908 20 30 GHEDMM N#CC(=C([O-])c1ccc2nc(C(F)(F)F)cn2c1)c1cnc2ccccc2n1 ZINC000483219279 859228594 /nfs/dbraw/zinc/22/85/94/859228594.db2.gz JYUPHKUKOZSTIS-LBPRGKRZSA-N -1 1 381.317 3.786 20 30 GHEDMM C[C@H](C#N)Oc1ccccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765339161 859919136 /nfs/dbraw/zinc/91/91/36/859919136.db2.gz IVUPLPIQSCQUGS-LLVKDONJSA-N -1 1 390.237 3.767 20 30 GHEDMM Cc1cccc(CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000170672100 860542486 /nfs/dbraw/zinc/54/24/86/860542486.db2.gz BKLVMKYQRSUTCC-HNNXBMFYSA-N -1 1 377.469 3.591 20 30 GHEDMM C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)Nc1ccccc1C#N ZINC000730359437 861056270 /nfs/dbraw/zinc/05/62/70/861056270.db2.gz KTBLJOJHIBQUKT-SECBINFHSA-N -1 1 379.199 3.755 20 30 GHEDMM N#CCc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1 ZINC000444358105 865083315 /nfs/dbraw/zinc/08/33/15/865083315.db2.gz AEMQZXKKNRTHHK-UHFFFAOYSA-N -1 1 377.444 3.773 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCCCCC#N)cc2)c1C ZINC000171594812 865303807 /nfs/dbraw/zinc/30/38/07/865303807.db2.gz QIOMBDHWKIEXEL-UHFFFAOYSA-N -1 1 385.489 3.528 20 30 GHEDMM COc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000608954869 865879244 /nfs/dbraw/zinc/87/92/44/865879244.db2.gz SFSDVYJCZSRPOA-UHFFFAOYSA-N -1 1 395.440 3.863 20 30 GHEDMM COc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1[O-] ZINC000212543992 866169394 /nfs/dbraw/zinc/16/93/94/866169394.db2.gz NPMAUCTYZHKAOI-WAYWQWQTSA-N -1 1 378.178 3.968 20 30 GHEDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NCC1CCCC1 ZINC000741837725 866842894 /nfs/dbraw/zinc/84/28/94/866842894.db2.gz MHLNPYIXPQBJLL-UHFFFAOYSA-N -1 1 388.449 3.984 20 30 GHEDMM CCOC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000523534931 867474412 /nfs/dbraw/zinc/47/44/12/867474412.db2.gz XOVNNFXCITZORB-UHFFFAOYSA-N -1 1 392.864 3.508 20 30 GHEDMM Cc1ccc(C#N)c(N2CCC[C@H](c3nc(-c4ccc([O-])cc4F)no3)C2)n1 ZINC000445453607 868483837 /nfs/dbraw/zinc/48/38/37/868483837.db2.gz BVKRZNYIQGFIFX-AWEZNQCLSA-N -1 1 379.395 3.540 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)ccc2N(C)C(C)C)n1 ZINC000744071623 868568734 /nfs/dbraw/zinc/56/87/34/868568734.db2.gz MEKXYBSOGTUFBH-HNNXBMFYSA-N -1 1 385.489 3.963 20 30 GHEDMM COC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000442982252 869197580 /nfs/dbraw/zinc/19/75/80/869197580.db2.gz XDUPHLORFHWDIL-SFHVURJKSA-N -1 1 380.444 3.596 20 30 GHEDMM N#Cc1ccc(-c2nnc(COC(=O)c3ccc(Cl)c(Cl)c3[O-])o2)cc1 ZINC000744976496 869205728 /nfs/dbraw/zinc/20/57/28/869205728.db2.gz HQVWXCOYKHZWAB-UHFFFAOYSA-N -1 1 390.182 3.978 20 30 GHEDMM Cn1cc(/C=C2\Cc3cc([O-])ccc3C2=O)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000187230277 870332316 /nfs/dbraw/zinc/33/23/16/870332316.db2.gz SQEAQZBCMHJDAZ-MHWRWJLKSA-N -1 1 388.423 3.776 20 30 GHEDMM N#Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)ccc1F ZINC000609110508 870863351 /nfs/dbraw/zinc/86/33/51/870863351.db2.gz LAMJVJYIAWDHSI-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM N#Cc1cnc(NC(=O)c2ccc([O-])cc2C(F)(F)F)c(Br)c1 ZINC001193733163 871250208 /nfs/dbraw/zinc/25/02/08/871250208.db2.gz GEILDOONJXZJGX-UHFFFAOYSA-N -1 1 386.127 3.692 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(CC(=O)OC(C)(C)C)c1 ZINC000525751925 871383121 /nfs/dbraw/zinc/38/31/21/871383121.db2.gz XOZKOOPFDKTXCB-UHFFFAOYSA-N -1 1 386.473 3.552 20 30 GHEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443362316 871562370 /nfs/dbraw/zinc/56/23/70/871562370.db2.gz XOXKWNRYWUHLNO-UHFFFAOYSA-N -1 1 379.279 3.992 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCCC3)c(F)c2)cc1F ZINC000794030593 882559095 /nfs/dbraw/zinc/55/90/95/882559095.db2.gz UQLKHJHZHXUFRP-UHFFFAOYSA-N -1 1 395.406 3.767 20 30 GHEDMM COc1cc(C)c(S(=O)(=O)[N-]c2cnc(C#N)c(C(F)(F)F)c2)c(C)c1C ZINC001194836622 871982397 /nfs/dbraw/zinc/98/23/97/871982397.db2.gz DCFITPBUFIUGLQ-UHFFFAOYSA-N -1 1 399.394 3.707 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c(F)c1 ZINC000526949559 872319332 /nfs/dbraw/zinc/31/93/32/872319332.db2.gz NBGFAHKYZLENDX-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000619461268 872656182 /nfs/dbraw/zinc/65/61/82/872656182.db2.gz DVBKQYVJOKOXLM-UHFFFAOYSA-N -1 1 394.481 3.930 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(CC#N)CC2)cc1 ZINC000541046502 872827088 /nfs/dbraw/zinc/82/70/88/872827088.db2.gz NWAHZUGIFLVJHR-UHFFFAOYSA-N -1 1 397.500 3.562 20 30 GHEDMM Cc1cc(C#N)c(F)cc1NC(=O)c1cc([O-])cc(I)c1 ZINC001196417885 873103405 /nfs/dbraw/zinc/10/34/05/873103405.db2.gz XRRGWUVMKRBJHB-UHFFFAOYSA-N -1 1 396.159 3.568 20 30 GHEDMM COCCOCc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000464193278 873384213 /nfs/dbraw/zinc/38/42/13/873384213.db2.gz WGWQFSQOVGBBGK-GOSISDBHSA-N -1 1 393.468 3.858 20 30 GHEDMM CC(C)Oc1ccc(C(C)N=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769807087 874299614 /nfs/dbraw/zinc/29/96/14/874299614.db2.gz FYXVYIBYBMKTFF-UHFFFAOYSA-N -1 1 382.468 3.910 20 30 GHEDMM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201287592 875593214 /nfs/dbraw/zinc/59/32/14/875593214.db2.gz NCGISFDJAGITNH-UHFFFAOYSA-N -1 1 379.279 3.992 20 30 GHEDMM COc1ccc(NC(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1 ZINC001202386195 876153578 /nfs/dbraw/zinc/15/35/78/876153578.db2.gz PEKDHLLQUYLDFB-RGVLZGJSSA-N -1 1 395.444 3.874 20 30 GHEDMM C=CCOCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000173435235 876386047 /nfs/dbraw/zinc/38/60/47/876386047.db2.gz FPIQGFZRZSDNSE-UHFFFAOYSA-N -1 1 392.452 3.548 20 30 GHEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(-c2ccoc2)n1 ZINC000108624585 876496656 /nfs/dbraw/zinc/49/66/56/876496656.db2.gz LQBLEDWQBWGIKZ-ZDUSSCGKSA-N -1 1 381.413 3.763 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OCC)c(OCC)c2)n1 ZINC000067895133 877601565 /nfs/dbraw/zinc/60/15/65/877601565.db2.gz VIXGWPHTPJUJHR-ZDUSSCGKSA-N -1 1 388.445 3.607 20 30 GHEDMM C[C@@H](C=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000788992312 878502441 /nfs/dbraw/zinc/50/24/41/878502441.db2.gz VBQDXPRJDOBOBX-NSHDSACASA-N -1 1 381.379 3.533 20 30 GHEDMM Cn1ncc(C2CCC2)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000853280314 878948892 /nfs/dbraw/zinc/94/88/92/878948892.db2.gz IBFIMKYUGGHJKH-UHFFFAOYSA-N -1 1 384.534 3.742 20 30 GHEDMM C#CCCN(CCOC)Cc1c([O-])ccc2c1oc(C)c(-c1ccccc1)c2=O ZINC000853620079 879177248 /nfs/dbraw/zinc/17/72/48/879177248.db2.gz RHOQFNSLXATFRD-UHFFFAOYSA-N -1 1 391.467 3.946 20 30 GHEDMM C=C(C)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000183044188 880053037 /nfs/dbraw/zinc/05/30/37/880053037.db2.gz WJOAYFWGBFYPAH-UHFFFAOYSA-N -1 1 388.489 3.534 20 30 GHEDMM CCCCCCOc1cccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)c1 ZINC000747047028 880758211 /nfs/dbraw/zinc/75/82/11/880758211.db2.gz NPXOJPKNASELCS-UHFFFAOYSA-N -1 1 385.489 3.718 20 30 GHEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105090 883694446 /nfs/dbraw/zinc/69/44/46/883694446.db2.gz BMAJCCNHMBFEIB-FQEVSTJZSA-N -1 1 376.416 3.696 20 30 GHEDMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475807456 884076709 /nfs/dbraw/zinc/07/67/09/884076709.db2.gz DEEMTSAWZIHKJO-UHFFFAOYSA-N -1 1 396.497 3.803 20 30 GHEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000116814869 884231691 /nfs/dbraw/zinc/23/16/91/884231691.db2.gz QUWMYADQLCWPLO-HRAATJIYSA-N -1 1 397.500 3.690 20 30 GHEDMM N#Cc1ccsc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000052035227 885150112 /nfs/dbraw/zinc/15/01/12/885150112.db2.gz FRJHHRMSULKFDY-UHFFFAOYSA-N -1 1 383.454 3.673 20 30 GHEDMM C#CCCc1noc(-c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)n1 ZINC000762010648 885197800 /nfs/dbraw/zinc/19/78/00/885197800.db2.gz NVUXEVGEGXTAAO-UHFFFAOYSA-N -1 1 381.457 3.720 20 30 GHEDMM N#C[C@H]1CC[C@@H](COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000809088489 887056692 /nfs/dbraw/zinc/05/66/92/887056692.db2.gz PYYYONWAUBSNAK-CALCHBBNSA-N -1 1 398.484 3.974 20 30 GHEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])cc(OC)c1OCC(F)F ZINC000809158765 887154433 /nfs/dbraw/zinc/15/44/33/887154433.db2.gz WKRYRXREOWKMTA-HYXAFXHYSA-N -1 1 380.343 3.655 20 30 GHEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2ccc(C#N)cc2)cc1 ZINC000032616492 887690287 /nfs/dbraw/zinc/69/02/87/887690287.db2.gz VINSDVORKDVUIW-UHFFFAOYSA-N -1 1 391.500 3.836 20 30 GHEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Oc2ccccc2)cc1 ZINC000915959267 888574920 /nfs/dbraw/zinc/57/49/20/888574920.db2.gz MEVRCHLKKDQMGB-UHFFFAOYSA-N -1 1 391.452 3.942 20 30 GHEDMM COc1cccc(O)c1C=Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000915980553 888596478 /nfs/dbraw/zinc/59/64/78/888596478.db2.gz UBFWTEJPDTVLLO-UHFFFAOYSA-N -1 1 382.441 3.952 20 30 GHEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(I)cc1 ZINC000916240747 888847826 /nfs/dbraw/zinc/84/78/26/888847826.db2.gz NZTZGYKSHAWPIZ-UHFFFAOYSA-N -1 1 380.185 3.826 20 30 GHEDMM CCCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000916256119 888859286 /nfs/dbraw/zinc/85/92/86/888859286.db2.gz NGBUWEQFYKLVNA-UHFFFAOYSA-N -1 1 376.438 3.984 20 30 GHEDMM C#C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccc(Cl)cc1 ZINC000811959724 890160613 /nfs/dbraw/zinc/16/06/13/890160613.db2.gz VIROEPLRGQCSSY-OAHLLOKOSA-N -1 1 393.668 3.982 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCc3ccccc3F)c2)c(=O)o1 ZINC000130664264 890264815 /nfs/dbraw/zinc/26/48/15/890264815.db2.gz MDRUMNHRNURBPE-LCCNJJIFSA-N -1 1 380.371 3.633 20 30 GHEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1 ZINC000614865998 890640674 /nfs/dbraw/zinc/64/06/74/890640674.db2.gz MZGIQSMHVPEDMA-UHFFFAOYSA-N -1 1 386.517 3.992 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C[C@H](C)C#N)C3CC3)cc2)cc1 ZINC000533610212 890965613 /nfs/dbraw/zinc/96/56/13/890965613.db2.gz VWHOGANEKYBHEO-MRXNPFEDSA-N -1 1 397.500 3.560 20 30 GHEDMM C=CCCCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000129249795 893191074 /nfs/dbraw/zinc/19/10/74/893191074.db2.gz WVEIQOVODSDKJX-UHFFFAOYSA-N -1 1 390.480 3.973 20 30 GHEDMM Cc1ccc(NC(=O)N2CCC(C#N)CC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000455763783 893229255 /nfs/dbraw/zinc/22/92/55/893229255.db2.gz DSXPQTCSYUSJLW-UHFFFAOYSA-N -1 1 398.488 3.563 20 30 GHEDMM CC(N=Nc1nc(-c2cccnc2)no1)c1cc(Br)cc(F)c1[O-] ZINC000814948128 893296972 /nfs/dbraw/zinc/29/69/72/893296972.db2.gz ZQXBBAQIGJZYCZ-UHFFFAOYSA-N -1 1 392.188 3.575 20 30 GHEDMM N#CC(=C([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000041504718 896354684 /nfs/dbraw/zinc/35/46/84/896354684.db2.gz MPWMKUAHWTVSTP-CYBMUJFWSA-N -1 1 389.396 3.880 20 30 GHEDMM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nn[n-]n3)c(SCCC#N)n2)o1 ZINC000826273223 896830138 /nfs/dbraw/zinc/83/01/38/896830138.db2.gz UTVJEODLORVUDY-UHFFFAOYSA-N -1 1 380.355 3.855 20 30 GHEDMM C#CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000155940616 899235060 /nfs/dbraw/zinc/23/50/60/899235060.db2.gz PGXDVOYWJWFUTR-UHFFFAOYSA-N -1 1 384.501 3.638 20 30 GHEDMM C#CC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC000844049000 900469403 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/nfs/dbraw/zinc/78/06/76/852780676.db2.gz GKTOWYYYLIHKSP-UHFFFAOYSA-N -1 1 398.444 3.874 20 30 GHEDMM N#Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1Cl ZINC000588133051 854137927 /nfs/dbraw/zinc/13/79/27/854137927.db2.gz XZLHNLXKIXESMZ-UHFFFAOYSA-N -1 1 377.199 3.622 20 30 GHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)cc1 ZINC000131554407 854932334 /nfs/dbraw/zinc/93/23/34/854932334.db2.gz ADDVKHNMRLFVBT-KXBFYZLASA-N -1 1 387.443 3.742 20 30 GHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1 ZINC000057116866 855224939 /nfs/dbraw/zinc/22/49/39/855224939.db2.gz KKUBMZSQNRCELO-UHFFFAOYSA-N -1 1 394.427 3.860 20 30 GHEDMM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000055615596 855359538 /nfs/dbraw/zinc/35/95/38/855359538.db2.gz OXXWOVQDAYLGNK-UHFFFAOYSA-N -1 1 391.452 3.920 20 30 GHEDMM C=C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000428042914 857053135 /nfs/dbraw/zinc/05/31/35/857053135.db2.gz DVNOHUOLZZZWKK-SFHVURJKSA-N -1 1 384.501 3.977 20 30 GHEDMM N#CC(=C([O-])c1ccc(Cn2cncn2)cc1)c1nc2cc(F)ccc2s1 ZINC000592973933 857144047 /nfs/dbraw/zinc/14/40/47/857144047.db2.gz LKIKRPUCZKIWDT-HNNXBMFYSA-N -1 1 377.404 3.565 20 30 GHEDMM C=C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC000520823079 857262236 /nfs/dbraw/zinc/26/22/36/857262236.db2.gz ZYLLRJGREFUQDP-UHFFFAOYSA-N -1 1 384.501 3.896 20 30 GHEDMM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593192053 857383871 /nfs/dbraw/zinc/38/38/71/857383871.db2.gz NRZLCQMHGSYNDX-UHFFFAOYSA-N -1 1 399.516 3.771 20 30 GHEDMM CC[C@@H](C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)N(CC)CC ZINC000765967544 857478871 /nfs/dbraw/zinc/47/88/71/857478871.db2.gz RVGBJZPBPOLTAK-KGLIPLIRSA-N -1 1 386.521 3.572 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)c1 ZINC000442226027 857617318 /nfs/dbraw/zinc/61/73/18/857617318.db2.gz XXIOSZJFEQHRFI-UHFFFAOYSA-N -1 1 378.881 3.673 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(F)cc1Br ZINC000521937243 858467850 /nfs/dbraw/zinc/46/78/50/858467850.db2.gz XKXKEVOJNIJCKH-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000522292254 858964137 /nfs/dbraw/zinc/96/41/37/858964137.db2.gz MGYRIGRJCMUFJO-UHFFFAOYSA-N -1 1 392.484 3.867 20 30 GHEDMM Cc1c(-c2ccccc2)nc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)[n-]c1=O ZINC000185058608 859098409 /nfs/dbraw/zinc/09/84/09/859098409.db2.gz SYNNWTUOCLQRGY-AWEZNQCLSA-N -1 1 390.468 3.736 20 30 GHEDMM N#Cc1cc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c(Cl)c([N+](=O)[O-])c1 ZINC000764305170 859367855 /nfs/dbraw/zinc/36/78/55/859367855.db2.gz KCSVIWZLBDPPHI-NSHDSACASA-N -1 1 378.797 3.680 20 30 GHEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1nc(-c2ccncc2)cs1 ZINC000114620018 859778647 /nfs/dbraw/zinc/77/86/47/859778647.db2.gz JOJORHZKZCOTSS-ZDUSSCGKSA-N -1 1 392.465 3.739 20 30 GHEDMM CCN(C[C@@H](C)C#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000484350700 859968288 /nfs/dbraw/zinc/96/82/88/859968288.db2.gz NBPGKUYUBWIRAK-HNNXBMFYSA-N -1 1 399.516 3.726 20 30 GHEDMM CC[C@@H](C#N)OC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000761250904 860003338 /nfs/dbraw/zinc/00/33/38/860003338.db2.gz PIXJAWBDTCTLDK-INIZCTEOSA-N -1 1 392.864 3.908 20 30 GHEDMM COc1ccc(-c2nc3c(s2)C(=NNc2nc(C)cc(=O)[n-]2)CCC3)cc1 ZINC000727779593 860221326 /nfs/dbraw/zinc/22/13/26/860221326.db2.gz LNTFJOYDBTZDIL-UHFFFAOYSA-N -1 1 381.461 3.775 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1NC(=O)c1ccco1 ZINC000125141020 860591361 /nfs/dbraw/zinc/59/13/61/860591361.db2.gz ZQTDRNQKWSVTKR-UHFFFAOYSA-N -1 1 381.413 3.513 20 30 GHEDMM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000189069547 881562696 /nfs/dbraw/zinc/56/26/96/881562696.db2.gz CEUPBHJITBCXET-GFCCVEGCSA-N -1 1 399.248 3.538 20 30 GHEDMM N#CCc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000555527231 861135257 /nfs/dbraw/zinc/13/52/57/861135257.db2.gz YUKVUIHMTQVNHW-UHFFFAOYSA-N -1 1 391.452 3.806 20 30 GHEDMM CCOC[C@H](C)Oc1c(Br)cc(Br)cc1C=N[O-] ZINC001231322979 863113572 /nfs/dbraw/zinc/11/35/72/863113572.db2.gz ORGUHRRFCDUERB-QMMMGPOBSA-N -1 1 381.064 3.824 20 30 GHEDMM C=CCN(CCOC)Cc1cc(Br)c([O-])c(Br)c1 ZINC000668055063 863192246 /nfs/dbraw/zinc/19/22/46/863192246.db2.gz QIIOLZIVDHVURQ-UHFFFAOYSA-N -1 1 379.092 3.552 20 30 GHEDMM [O-]c1ccc(CN=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1Cl ZINC000735976772 865078888 /nfs/dbraw/zinc/07/88/88/865078888.db2.gz QZOIUGMQKVUSBI-UHFFFAOYSA-N -1 1 393.756 3.784 20 30 GHEDMM CCC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000608815825 865747480 /nfs/dbraw/zinc/74/74/80/865747480.db2.gz JNPWKDUEOFOKAH-INIZCTEOSA-N -1 1 391.880 3.563 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C#N)CC(C)C)c2)c1 ZINC000608879873 865786865 /nfs/dbraw/zinc/78/68/65/865786865.db2.gz DCSJIRYKLLGJHJ-GOSISDBHSA-N -1 1 399.516 3.772 20 30 GHEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1ccccc1C#N ZINC000609040760 865914390 /nfs/dbraw/zinc/91/43/90/865914390.db2.gz WDUXGSZKJNJNQJ-UHFFFAOYSA-N -1 1 391.496 3.991 20 30 GHEDMM CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000011372541 881921595 /nfs/dbraw/zinc/92/15/95/881921595.db2.gz GZIVHFAEZJZGEP-UHFFFAOYSA-N -1 1 393.472 3.907 20 30 GHEDMM Cc1ccc(C(=O)Nc2cccc(CNC(=O)c3ccc(C#N)c([O-])c3)c2)cc1 ZINC000190792404 882332210 /nfs/dbraw/zinc/33/22/10/882332210.db2.gz IZSISFDLGITFQQ-UHFFFAOYSA-N -1 1 385.423 3.755 20 30 GHEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cccc(C(C)(C)C#N)c3)c2)o1 ZINC001192265584 870250757 /nfs/dbraw/zinc/25/07/57/870250757.db2.gz ORFZNIFAJTVDGO-UHFFFAOYSA-N -1 1 382.445 3.647 20 30 GHEDMM N#Cc1ccc(-c2csc([N-]C(=O)c3nc(Cc4ccccc4)no3)n2)s1 ZINC001192267275 870251908 /nfs/dbraw/zinc/25/19/08/870251908.db2.gz ZSJFVVCQRXAEJX-UHFFFAOYSA-N -1 1 393.453 3.969 20 30 GHEDMM N#C[C@@]1([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)CCc2ccccc2C1 ZINC000446768325 870325338 /nfs/dbraw/zinc/32/53/38/870325338.db2.gz HTNSHIGBVOLKHD-GOSISDBHSA-N -1 1 395.311 3.864 20 30 GHEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(CC)ccc2OC)c(F)c1 ZINC001192821364 870696005 /nfs/dbraw/zinc/69/60/05/870696005.db2.gz OKLDBHJZTCDAAR-UHFFFAOYSA-N -1 1 393.436 3.540 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)cc1 ZINC000446947014 870757632 /nfs/dbraw/zinc/75/76/32/870757632.db2.gz COZVCYCVNFAQSJ-UHFFFAOYSA-N -1 1 378.457 3.559 20 30 GHEDMM C=CC[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000617788965 870902202 /nfs/dbraw/zinc/90/22/02/870902202.db2.gz VXGZALNHGGMICP-KRWDZBQOSA-N -1 1 384.501 3.916 20 30 GHEDMM Cc1cnc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c([O-])c1 ZINC000460196003 870910977 /nfs/dbraw/zinc/91/09/77/870910977.db2.gz GGRFKDJLXZORAF-UHFFFAOYSA-N -1 1 375.403 3.949 20 30 GHEDMM N#Cc1sc(-c2ccc(F)cc2)cc1NC(=O)c1cccc(OCCO)c1[O-] ZINC001193323127 871022994 /nfs/dbraw/zinc/02/29/94/871022994.db2.gz SLVOLOJPRNCRRV-UHFFFAOYSA-N -1 1 398.415 3.755 20 30 GHEDMM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cc(F)cc(Br)c1 ZINC001193796259 871309270 /nfs/dbraw/zinc/30/92/70/871309270.db2.gz QCTZYLWEHUVRHK-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc2)c1 ZINC000122342037 882513893 /nfs/dbraw/zinc/51/38/93/882513893.db2.gz ZHEJBIWUILRPNO-LJQANCHMSA-N -1 1 399.516 3.772 20 30 GHEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OCC ZINC000055564169 871911376 /nfs/dbraw/zinc/91/13/76/871911376.db2.gz VZJOOAKKSABQMB-UHFFFAOYSA-N -1 1 380.853 3.810 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)ccc1C(F)(F)F ZINC000443408029 872245200 /nfs/dbraw/zinc/24/52/00/872245200.db2.gz RTCANJRAWYHGIR-UHFFFAOYSA-N -1 1 392.362 3.564 20 30 GHEDMM Cc1cc(N=C([O-])Nc2ncc(Cc3ccc(C)c(F)c3)s2)nn1CCC#N ZINC000527078841 872617879 /nfs/dbraw/zinc/61/78/79/872617879.db2.gz WQAIGHSAHDKSSM-UHFFFAOYSA-N -1 1 398.467 3.666 20 30 GHEDMM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463360 872657206 /nfs/dbraw/zinc/65/72/06/872657206.db2.gz NKQMOHVNYGEUSB-UHFFFAOYSA-N -1 1 379.279 3.878 20 30 GHEDMM Cc1cccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)c1C#N ZINC000443442846 872712863 /nfs/dbraw/zinc/71/28/63/872712863.db2.gz DFUMMIFMAVOXSD-QGZVFWFLSA-N -1 1 393.390 3.930 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000541005924 872729529 /nfs/dbraw/zinc/72/95/29/872729529.db2.gz DUPGOQGQQIAECH-UHFFFAOYSA-N -1 1 396.497 3.644 20 30 GHEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1nc(C2CC2)ncc1Br ZINC001195980985 872782663 /nfs/dbraw/zinc/78/26/63/872782663.db2.gz LWRGMVBCXPOUGA-UHFFFAOYSA-N -1 1 379.164 3.519 20 30 GHEDMM C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c(=S)[n-]c1=O ZINC001196015617 872817371 /nfs/dbraw/zinc/81/73/71/872817371.db2.gz DLSHHLIITYZRJP-CQSZACIVSA-N -1 1 390.468 3.746 20 30 GHEDMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619744609 872949859 /nfs/dbraw/zinc/94/98/59/872949859.db2.gz BVPHZUWHIPNCFP-UHFFFAOYSA-N -1 1 377.469 3.848 20 30 GHEDMM Cc1cnccc1O[C@H]1CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196318060 873027109 /nfs/dbraw/zinc/02/71/09/873027109.db2.gz BYVUCOFYOAKTOO-QFIPXVFZSA-N -1 1 399.450 3.928 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccccc3-n3cncn3)c2)c1 ZINC001196321363 873030279 /nfs/dbraw/zinc/03/02/79/873030279.db2.gz ZHYAZQVYQUUJOU-UHFFFAOYSA-N -1 1 381.395 3.764 20 30 GHEDMM CCOC(=O)[C@H](NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)[C@@H](C)CC ZINC001196329393 873034731 /nfs/dbraw/zinc/03/47/31/873034731.db2.gz ARTBWKZMPCQLJI-VBKZILBWSA-N -1 1 380.444 3.638 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NC[C@@H](CO)Cc3ccccc3)c2)c1 ZINC001196329798 873037012 /nfs/dbraw/zinc/03/70/12/873037012.db2.gz HEHJOENIJADYND-IBGZPJMESA-N -1 1 386.451 3.512 20 30 GHEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(F)c(OC2CCC2)c(F)c1 ZINC001196577266 873235775 /nfs/dbraw/zinc/23/57/75/873235775.db2.gz TYKHOFILAAAAPN-UHFFFAOYSA-N -1 1 392.383 3.868 20 30 GHEDMM N#Cc1ccc(CN2C[C@@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)cc1F ZINC001197070155 873576123 /nfs/dbraw/zinc/57/61/23/873576123.db2.gz TVCWBOUUMUGHOK-OAHLLOKOSA-N -1 1 391.368 3.870 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@]3(C#N)C[C@H]3C)ccc2C)c1 ZINC000448570941 873620329 /nfs/dbraw/zinc/62/03/29/873620329.db2.gz FJEQLNLEQIHADC-FOIQADDNSA-N -1 1 383.473 3.593 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@]3(C#N)C[C@@H]3C)ccc2C)c1 ZINC000448570947 873620569 /nfs/dbraw/zinc/62/05/69/873620569.db2.gz FJEQLNLEQIHADC-MGPUTAFESA-N -1 1 383.473 3.593 20 30 GHEDMM CCCCCCCC(=O)c1ccc([O-])c(C(=O)N2Cc3n[nH]c(COC)c3C2)c1 ZINC001197365889 873735491 /nfs/dbraw/zinc/73/54/91/873735491.db2.gz MLQSXNADNUDDRR-UHFFFAOYSA-N -1 1 399.491 3.961 20 30 GHEDMM C[Si](C)(C)C#Cc1cc(Cl)ccc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197834401 874064300 /nfs/dbraw/zinc/06/43/00/874064300.db2.gz DRIIEKQTMKEQCU-UHFFFAOYSA-N -1 1 378.957 3.906 20 30 GHEDMM CC(C)(C)OC(=O)N1CCc2cccc(C(=O)Nc3ccc(C#N)cc3[O-])c2C1 ZINC001199054361 874779045 /nfs/dbraw/zinc/77/90/45/874779045.db2.gz MXRAYHWYPNGCAG-UHFFFAOYSA-N -1 1 393.443 3.809 20 30 GHEDMM CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(C#N)c([O-])c2)CCCCCC1 ZINC000785517330 876084002 /nfs/dbraw/zinc/08/40/02/876084002.db2.gz 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GHEDMM N#Cc1c(Br)cccc1OCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001456607298 1062776525 /nfs/dbraw/zinc/77/65/25/1062776525.db2.gz NRZSGMTWWHMYCW-UHFFFAOYSA-N -1 1 399.603 3.836 20 30 GHEDMM N#C[C@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC001435824986 1062949547 /nfs/dbraw/zinc/94/95/47/1062949547.db2.gz JHSZJFAWBWBZFK-HNNXBMFYSA-N -1 1 387.777 3.529 20 30 GHEDMM C=CC(C)(C)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC001546105636 1063984035 /nfs/dbraw/zinc/98/40/35/1063984035.db2.gz QIYKYLMBOWNINC-UHFFFAOYSA-N -1 1 394.880 3.997 20 30 GHEDMM C#CC(C)(C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)c1 ZINC001465165282 1065430931 /nfs/dbraw/zinc/43/09/31/1065430931.db2.gz GKRXBQBPRQSKCR-UHFFFAOYSA-N -1 1 398.528 3.972 20 30 GHEDMM CCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccncc1[O-] ZINC001472506000 1073520168 /nfs/dbraw/zinc/52/01/68/1073520168.db2.gz IAWXLDXBZINWFT-INIZCTEOSA-N -1 1 379.501 3.792 20 30 GHEDMM Cc1cc(C#N)cc(C)c1CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001472548973 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Cc1nc(C[N-]S(=O)(=O)c2ccccc2C#N)oc1-c1ccc(Cl)cc1 ZINC000126086800 843553988 /nfs/dbraw/zinc/55/39/88/843553988.db2.gz XRGHVTCDTBCWLT-UHFFFAOYSA-N -1 1 387.848 3.654 20 30 GHEDMM N#CCc1cc2ccccc2c(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)c1 ZINC001167939438 844850889 /nfs/dbraw/zinc/85/08/89/844850889.db2.gz VBPYPEYRZCXMTD-UHFFFAOYSA-N -1 1 378.368 3.991 20 30 GHEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c2ccccc12 ZINC000182338103 844897609 /nfs/dbraw/zinc/89/76/09/844897609.db2.gz IILNGVJILZWHRR-UHFFFAOYSA-N -1 1 379.441 3.779 20 30 GHEDMM Cc1c(C#N)cccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000513197451 845062700 /nfs/dbraw/zinc/06/27/00/845062700.db2.gz QLFDWILCLUVGBD-UHFFFAOYSA-N -1 1 391.452 3.920 20 30 GHEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000121264966 845299885 /nfs/dbraw/zinc/29/98/85/845299885.db2.gz NNAKCQOPRRDAKX-LREOWRDNSA-N -1 1 388.338 3.763 20 30 GHEDMM CCOc1ccccc1Oc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000614297186 845546989 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GHEDMM N#CC(=C([O-])c1cccc(C(=O)NC2CC2)c1)c1nc(-c2ccncc2)cs1 ZINC000439644002 850205835 /nfs/dbraw/zinc/20/58/35/850205835.db2.gz HLTVIDFSVUPOSD-QGZVFWFLSA-N -1 1 388.452 3.587 20 30 GHEDMM Cc1nc(S[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)[n-]c(=O)c1C1CC1 ZINC000601088190 850256687 /nfs/dbraw/zinc/25/66/87/850256687.db2.gz MKBAPRFVQDIYOI-JGOZLAPISA-N -1 1 388.537 3.780 20 30 GHEDMM C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000909110801 850593015 /nfs/dbraw/zinc/59/30/15/850593015.db2.gz UBJUREAXLOSKPD-IAGOWNOFSA-N -1 1 376.456 3.596 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)ccc1C#N ZINC000435713693 850797366 /nfs/dbraw/zinc/79/73/66/850797366.db2.gz FZDZKGAHUPYTLH-UHFFFAOYSA-N -1 1 390.424 3.871 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC3(CC#N)CC3)ccc2C)c1 ZINC000435956706 851022685 /nfs/dbraw/zinc/02/26/85/851022685.db2.gz JGBRLVIXQVCANV-UHFFFAOYSA-N -1 1 397.500 3.528 20 30 GHEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1Cn1cncn1 ZINC000473761909 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GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)c1 ZINC000590520505 855477997 /nfs/dbraw/zinc/47/79/97/855477997.db2.gz NZILQQPXWHDJPJ-UHFFFAOYSA-N -1 1 397.434 3.648 20 30 GHEDMM COC(=O)c1c(F)ccc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1F ZINC000485168900 856183214 /nfs/dbraw/zinc/18/32/14/856183214.db2.gz VUQVSLSKXYSBBH-UHFFFAOYSA-N -1 1 383.310 3.530 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1 ZINC000172589864 856489969 /nfs/dbraw/zinc/48/99/69/856489969.db2.gz IVYIITMIYQJPFI-UHFFFAOYSA-N -1 1 384.486 3.552 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)cc1F ZINC000427746006 856659642 /nfs/dbraw/zinc/65/96/42/856659642.db2.gz FZHKKEHGWHCJLG-UHFFFAOYSA-N -1 1 396.447 3.698 20 30 GHEDMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(C#N)c1 ZINC000064320791 857128312 /nfs/dbraw/zinc/12/83/12/857128312.db2.gz LYNODPOKQKAOIY-UHFFFAOYSA-N -1 1 391.452 3.636 20 30 GHEDMM C=C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)CC1 ZINC000520821696 857260407 /nfs/dbraw/zinc/26/04/07/857260407.db2.gz UJZIDJWNYYJEIA-UHFFFAOYSA-N -1 1 384.501 3.896 20 30 GHEDMM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F ZINC001212482490 857782522 /nfs/dbraw/zinc/78/25/22/857782522.db2.gz DZOYIKPKGDHPCO-ABAIWWIYSA-N -1 1 389.876 3.679 20 30 GHEDMM C=C(C)COc1cccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281318724 862966623 /nfs/dbraw/zinc/96/66/23/862966623.db2.gz IZBOBLAPFHAWHN-UHFFFAOYSA-N -1 1 399.413 3.564 20 30 GHEDMM Cc1csc(C(C#N)=C([O-])c2ccccc2CS(=O)(=O)c2ccccc2)n1 ZINC000066723060 858266101 /nfs/dbraw/zinc/26/61/01/858266101.db2.gz QDZPPDKNKXGGEY-SFHVURJKSA-N -1 1 396.493 3.916 20 30 GHEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000487454172 863007438 /nfs/dbraw/zinc/00/74/38/863007438.db2.gz HVBBDKPMAUOKOF-LJQANCHMSA-N -1 1 391.475 3.536 20 30 GHEDMM COc1ccccc1C(=O)Nc1ccc(OC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000785466242 858697047 /nfs/dbraw/zinc/69/70/47/858697047.db2.gz MJIPNDBENMTWSL-UHFFFAOYSA-N -1 1 388.379 3.744 20 30 GHEDMM CC[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000183927730 858841148 /nfs/dbraw/zinc/84/11/48/858841148.db2.gz QKGXZJSMHPTTDX-INIZCTEOSA-N -1 1 385.489 3.526 20 30 GHEDMM N#Cc1cc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000764304832 859367029 /nfs/dbraw/zinc/36/70/29/859367029.db2.gz AHBJQBYHPQHNKG-UHFFFAOYSA-N -1 1 381.131 3.934 20 30 GHEDMM C#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000198840411 859454922 /nfs/dbraw/zinc/45/49/22/859454922.db2.gz KQOPOLVGVITJGK-UHFFFAOYSA-N -1 1 376.437 3.721 20 30 GHEDMM CCN(C[C@H](C)C#N)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000483609908 859485527 /nfs/dbraw/zinc/48/55/27/859485527.db2.gz XCIKYXLBGGPGTE-MRXNPFEDSA-N -1 1 399.516 3.726 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 ZINC000597918162 859926281 /nfs/dbraw/zinc/92/62/81/859926281.db2.gz LGQRFEUJUHJSGS-QGZVFWFLSA-N -1 1 397.500 3.562 20 30 GHEDMM CC(=NNc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000727778345 860221671 /nfs/dbraw/zinc/22/16/71/860221671.db2.gz DKZYHXAVBHLMEB-UHFFFAOYSA-N -1 1 376.331 3.661 20 30 GHEDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000124232916 860284668 /nfs/dbraw/zinc/28/46/68/860284668.db2.gz GKMLSGRMHKIFKU-SNVBAGLBSA-N -1 1 393.387 3.602 20 30 GHEDMM C=CCOc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1OC ZINC000765728440 860493159 /nfs/dbraw/zinc/49/31/59/860493159.db2.gz SLIBRQJBIJLNDL-UHFFFAOYSA-N -1 1 392.249 3.658 20 30 GHEDMM CC(C)n1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000603627827 860933194 /nfs/dbraw/zinc/93/31/94/860933194.db2.gz YCEROJBVFBCVRJ-GFCCVEGCSA-N -1 1 381.461 3.543 20 30 GHEDMM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1OC1CCCC1 ZINC000734118374 864007510 /nfs/dbraw/zinc/00/75/10/864007510.db2.gz HKUZHLDBNDSCAZ-UHFFFAOYSA-N -1 1 386.473 3.998 20 30 GHEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000622179839 864821270 /nfs/dbraw/zinc/82/12/70/864821270.db2.gz PYGKAFCMUPDGAE-UEXGIBASSA-N -1 1 390.483 3.860 20 30 GHEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(Nc3ccccn3)n2)c1 ZINC000737316907 865390821 /nfs/dbraw/zinc/39/08/21/865390821.db2.gz PFNJWPMVVZYCDI-AWEZNQCLSA-N -1 1 377.429 3.551 20 30 GHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2C)c1 ZINC000608955772 865880101 /nfs/dbraw/zinc/88/01/01/865880101.db2.gz KMTBFSHTRNKJJW-UHFFFAOYSA-N -1 1 375.446 3.537 20 30 GHEDMM CSCCCN=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000793095808 881936730 /nfs/dbraw/zinc/93/67/30/881936730.db2.gz UAEWUOAXRUEADP-UHFFFAOYSA-N -1 1 394.478 3.546 20 30 GHEDMM C=C(C)[C@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)OCC ZINC000534403387 866723279 /nfs/dbraw/zinc/72/32/79/866723279.db2.gz VNMOVWHCZAMRGG-IBGZPJMESA-N -1 1 388.489 3.797 20 30 GHEDMM CCC[C@H](C#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000523283701 867019377 /nfs/dbraw/zinc/01/93/77/867019377.db2.gz XNAHQUHMOSIIQS-GOSISDBHSA-N -1 1 385.489 3.526 20 30 GHEDMM C=C(CC)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000456827888 867215673 /nfs/dbraw/zinc/21/56/73/867215673.db2.gz KNQUVMYEMBQNDR-UHFFFAOYSA-N -1 1 388.489 3.582 20 30 GHEDMM C=CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000154160084 867704881 /nfs/dbraw/zinc/70/48/81/867704881.db2.gz UKPJPQVKTMBIOI-UHFFFAOYSA-N -1 1 398.406 3.764 20 30 GHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC000793432908 882181565 /nfs/dbraw/zinc/18/15/65/882181565.db2.gz RSRUUYLRYHDROK-UHFFFAOYSA-N -1 1 377.437 3.840 20 30 GHEDMM CC#CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000744472332 868868929 /nfs/dbraw/zinc/86/89/29/868868929.db2.gz ADPYIKJBKMLFRW-UHFFFAOYSA-N -1 1 397.374 3.686 20 30 GHEDMM C=CCCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000539973557 870102996 /nfs/dbraw/zinc/10/29/96/870102996.db2.gz XPGCCRPGUDCEBR-UHFFFAOYSA-N -1 1 380.853 3.751 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cnc(N3CCCC[C@H]3C)c(C)c2)ccc1C#N ZINC000446763682 870317479 /nfs/dbraw/zinc/31/74/79/870317479.db2.gz YBZWPDLJRPTZAB-MRXNPFEDSA-N -1 1 384.505 3.750 20 30 GHEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000766474493 870806504 /nfs/dbraw/zinc/80/65/04/870806504.db2.gz MRCYBLMODBFFRX-UHFFFAOYSA-N -1 1 382.392 3.557 20 30 GHEDMM COc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])c(OCc2cccnc2)c1 ZINC000766489435 870814847 /nfs/dbraw/zinc/81/48/47/870814847.db2.gz FCYKWRZZDYIWMY-VMPITWQZSA-N -1 1 377.396 3.977 20 30 GHEDMM N#Cc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)c([O-])c1 ZINC001193480606 871120079 /nfs/dbraw/zinc/12/00/79/871120079.db2.gz FNEMSLRHQFBFSO-UHFFFAOYSA-N -1 1 396.406 3.756 20 30 GHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(Br)c2)cc1C#N ZINC001193806752 871318713 /nfs/dbraw/zinc/31/87/13/871318713.db2.gz LUWOTOLZOOOEID-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM Cc1ccc(CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000069833464 871600720 /nfs/dbraw/zinc/60/07/20/871600720.db2.gz GTEAJKWRMFFWIU-MRXNPFEDSA-N -1 1 391.496 3.981 20 30 GHEDMM C=CCCOc1ccc(C(=O)N(C(=S)[N-]C(=O)OC)c2ccccc2N)cc1 ZINC001195141521 872197796 /nfs/dbraw/zinc/19/77/96/872197796.db2.gz OKVUXHLAJRDYHQ-UHFFFAOYSA-N -1 1 399.472 3.511 20 30 GHEDMM CN(C)C(=O)Cc1ccccc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196319511 873028575 /nfs/dbraw/zinc/02/85/75/873028575.db2.gz VPYUOJKUTXRSDJ-UHFFFAOYSA-N -1 1 399.450 3.814 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)c2)c1 ZINC001196318756 873029216 /nfs/dbraw/zinc/02/92/16/873029216.db2.gz KYBYWBNFTGSQEF-UHFFFAOYSA-N -1 1 385.379 3.514 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)ccc1Br ZINC001197271925 873686809 /nfs/dbraw/zinc/68/68/09/873686809.db2.gz WRYLCYHGEPFJQG-UHFFFAOYSA-N -1 1 388.246 3.670 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1Cl ZINC001197277600 873687931 /nfs/dbraw/zinc/68/79/31/873687931.db2.gz LLVUONPIWRSEBF-UHFFFAOYSA-N -1 1 396.653 3.647 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)c(Br)c1 ZINC001198083289 874204416 /nfs/dbraw/zinc/20/44/16/874204416.db2.gz LGWMFBVNQFAOOF-UHFFFAOYSA-N -1 1 395.278 3.747 20 30 GHEDMM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccc3nccnc3c2)cc1 ZINC001198153313 874250288 /nfs/dbraw/zinc/25/02/88/874250288.db2.gz KXZCIHOIVNGSKK-UHFFFAOYSA-N -1 1 386.436 3.969 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CCC#N)Cc2cccnc2)c([O-])c1 ZINC000769725802 874254721 /nfs/dbraw/zinc/25/47/21/874254721.db2.gz WGNUXVGXOIWIBK-UHFFFAOYSA-N -1 1 396.447 3.690 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N(CCC#N)Cc2ccccn2)c([O-])c1 ZINC000769762325 874263635 /nfs/dbraw/zinc/26/36/35/874263635.db2.gz CEFOUDMDOPISHQ-UHFFFAOYSA-N -1 1 396.447 3.690 20 30 GHEDMM CCN(CC)c1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769811757 874303039 /nfs/dbraw/zinc/30/30/39/874303039.db2.gz DJKRYAFGDNEWHT-UHFFFAOYSA-N -1 1 381.484 3.579 20 30 GHEDMM N#Cc1ccc(NC(=O)c2cncn2Cc2cccc(Br)c2)c([O-])c1 ZINC001198348812 874368308 /nfs/dbraw/zinc/36/83/08/874368308.db2.gz OZGPNMBUNWFYKN-UHFFFAOYSA-N -1 1 397.232 3.523 20 30 GHEDMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)ccc2s1 ZINC001201319686 875631140 /nfs/dbraw/zinc/63/11/40/875631140.db2.gz FSLOINRTRMJVHI-UHFFFAOYSA-N -1 1 386.454 3.669 20 30 GHEDMM CCOC(=O)c1coc2cc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)ccc12 ZINC001201322322 875632345 /nfs/dbraw/zinc/63/23/45/875632345.db2.gz IQYRFGPANUMGLT-UHFFFAOYSA-N -1 1 384.413 3.590 20 30 GHEDMM O=S(=O)([N-]CC(F)(F)C(F)(F)F)c1cc(Cl)cc(C(F)(F)F)c1 ZINC001201370566 875644236 /nfs/dbraw/zinc/64/42/36/875644236.db2.gz SKANJPZWKXOXEZ-UHFFFAOYSA-N -1 1 391.667 3.835 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCCC#N)ccc2C)c1 ZINC000171593921 876561714 /nfs/dbraw/zinc/56/17/14/876561714.db2.gz SJGCUINLMCPYBJ-UHFFFAOYSA-N -1 1 385.489 3.528 20 30 GHEDMM COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)ccc1F ZINC000451090379 877350029 /nfs/dbraw/zinc/35/00/29/877350029.db2.gz UBXSSKDWNLDLGC-UHFFFAOYSA-N -1 1 378.425 3.684 20 30 GHEDMM C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000851214927 877519764 /nfs/dbraw/zinc/51/97/64/877519764.db2.gz ZSFFJGFPXQERLD-HNNXBMFYSA-N -1 1 386.473 3.973 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(Cl)c3ccccc3n2C)n1 ZINC000067897624 877611372 /nfs/dbraw/zinc/61/13/72/877611372.db2.gz BKKUGYALJBMLHM-NSHDSACASA-N -1 1 387.848 3.955 20 30 GHEDMM Cc1c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2nn1C ZINC000461339765 879637272 /nfs/dbraw/zinc/63/72/72/879637272.db2.gz BKQMZQMLASNYKR-UHFFFAOYSA-N -1 1 394.378 3.573 20 30 GHEDMM N=C(c1ccccc1N)N([O-])C(=O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 ZINC001183421633 912508236 /nfs/dbraw/zinc/50/82/36/912508236.db2.gz SPPRTRDUTFKROG-RYUDHWBXSA-N -1 1 392.242 3.638 20 30 GHEDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=C1CC=C(c2ccc(F)cc2)CC1 ZINC000776778130 880247319 /nfs/dbraw/zinc/24/73/19/880247319.db2.gz PQMJFDOUWXYODR-UHFFFAOYSA-N -1 1 389.408 3.636 20 30 GHEDMM C=C(C)Cn1c([C@H]2CCCO2)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000453471873 880982957 /nfs/dbraw/zinc/98/29/57/880982957.db2.gz VNXLTFHCIZAALR-ZTFGCOKTSA-N 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GHEDMM C=CCCCCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001211794124 845509611 /nfs/dbraw/zinc/50/96/11/845509611.db2.gz LHKQTJTTZRNCFM-UHFFFAOYSA-N -1 1 389.290 3.875 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(Br)c1 ZINC000128053892 847958090 /nfs/dbraw/zinc/95/80/90/847958090.db2.gz GLSHDLXLVBSYPS-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM C=CC[C@H]1N(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCC1(C)C ZINC000278221544 849720362 /nfs/dbraw/zinc/72/03/62/849720362.db2.gz SBIKTZWDMDHQCE-QGZVFWFLSA-N -1 1 395.525 3.665 20 30 GHEDMM Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000486753257 850056491 /nfs/dbraw/zinc/05/64/91/850056491.db2.gz LZJUTTHOIRFCRE-UHFFFAOYSA-N -1 1 397.481 3.981 20 30 GHEDMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc2O1 ZINC000435158014 850136848 /nfs/dbraw/zinc/13/68/48/850136848.db2.gz HGTURBLTVLUEHG-UHFFFAOYSA-N -1 1 398.362 3.885 20 30 GHEDMM Cc1nc2nc(S(=O)(=O)CCCCC(C)(C)C#N)[n-]c2cc1Br ZINC000435690276 850770255 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GHEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000488257680 851318886 /nfs/dbraw/zinc/31/88/86/851318886.db2.gz RPWIFCTZGSNNTO-UHFFFAOYSA-N -1 1 384.379 3.863 20 30 GHEDMM C=CC[C@H](CC)NC(=O)c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1[O-] ZINC000436779061 852313452 /nfs/dbraw/zinc/31/34/52/852313452.db2.gz JCSUGEWCPDXLOD-HNNXBMFYSA-N -1 1 398.459 3.746 20 30 GHEDMM C[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCc2sccc2C1 ZINC000031854482 852327783 /nfs/dbraw/zinc/32/77/83/852327783.db2.gz JUBRAXBVAPRJEF-LOMXTUQMSA-N -1 1 379.869 3.881 20 30 GHEDMM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489731253 852555834 /nfs/dbraw/zinc/55/58/34/852555834.db2.gz ASOSDWVAJQHYLZ-NSHDSACASA-N -1 1 394.449 3.576 20 30 GHEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000029202272 852818528 /nfs/dbraw/zinc/81/85/28/852818528.db2.gz FUWTUAHQRBHDNS-UHFFFAOYSA-N -1 1 390.237 3.715 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1C(F)(F)F ZINC000438775886 852835880 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COCC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000590874376 855638938 /nfs/dbraw/zinc/63/89/38/855638938.db2.gz FCFGPKKPSHOZPH-KRWDZBQOSA-N -1 1 378.350 3.790 20 30 GHEDMM N#Cc1ccc(C2=CCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cc1 ZINC000507801520 856064612 /nfs/dbraw/zinc/06/46/12/856064612.db2.gz MBGJNYZHWRYULV-UHFFFAOYSA-N -1 1 383.245 3.956 20 30 GHEDMM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2C1 ZINC000171346059 856097692 /nfs/dbraw/zinc/09/76/92/856097692.db2.gz DMVHZIZQGXHCAA-UHFFFAOYSA-N -1 1 375.881 3.738 20 30 GHEDMM COC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)cs1 ZINC000905821457 856634690 /nfs/dbraw/zinc/63/46/90/856634690.db2.gz HCTBWIPDSMCSMK-BDAKNGLRSA-N -1 1 375.475 3.801 20 30 GHEDMM C=CC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC000110968649 856720614 /nfs/dbraw/zinc/72/06/14/856720614.db2.gz IBMSJOMJBYXWHB-UHFFFAOYSA-N -1 1 384.501 3.834 20 30 GHEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000174068029 857204807 /nfs/dbraw/zinc/20/48/07/857204807.db2.gz PNLNTYXAVDGQNA-LLVKDONJSA-N -1 1 394.884 3.682 20 30 GHEDMM COc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)c(Br)c1O ZINC000761009835 857259754 /nfs/dbraw/zinc/25/97/54/857259754.db2.gz IELAOMRPZLRFGR-MLPAPPSSSA-N -1 1 377.190 3.794 20 30 GHEDMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593192242 857383475 /nfs/dbraw/zinc/38/34/75/857383475.db2.gz SZDFZIOEYMOLRX-UHFFFAOYSA-N -1 1 385.489 3.883 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000114673659 858159211 /nfs/dbraw/zinc/15/92/11/858159211.db2.gz OPAPSVLSNZHAMG-MRXNPFEDSA-N -1 1 397.500 3.682 20 30 GHEDMM Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114673810 858159279 /nfs/dbraw/zinc/15/92/79/858159279.db2.gz BSSYOBQGMIYYGW-UHFFFAOYSA-N -1 1 380.429 3.558 20 30 GHEDMM COc1ccc(C2(CNC(=O)c3ccc(C#N)c([O-])c3)CCCCC2)cc1OC ZINC000442974406 858280322 /nfs/dbraw/zinc/28/03/22/858280322.db2.gz HPYPYAZMAFMNPD-UHFFFAOYSA-N -1 1 394.471 3.913 20 30 GHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000443420847 858658817 /nfs/dbraw/zinc/65/88/17/858658817.db2.gz WDEWTZXUAYVHKX-OAHLLOKOSA-N -1 1 384.501 3.904 20 30 GHEDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000195085198 859350625 /nfs/dbraw/zinc/35/06/25/859350625.db2.gz BKMZKKMZUWYYAB-VIFPVBQESA-N -1 1 386.502 3.601 20 30 GHEDMM C=CCOc1ccccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764777566 859607194 /nfs/dbraw/zinc/60/71/94/859607194.db2.gz AERZFBJHPRGCGD-UHFFFAOYSA-N -1 1 391.265 3.719 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@H](CC#N)C3)c2)c1 ZINC000597919986 859928452 /nfs/dbraw/zinc/92/84/52/859928452.db2.gz FIZTZRPDYUGBDX-QGZVFWFLSA-N -1 1 397.500 3.562 20 30 GHEDMM CC1(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CCC1 ZINC000765993543 860250508 /nfs/dbraw/zinc/25/05/08/860250508.db2.gz XILDTIHVQDCALZ-UHFFFAOYSA-N -1 1 388.449 3.984 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H](C#N)C(C)(C)C)c2)c1 ZINC000765635282 860370799 /nfs/dbraw/zinc/37/07/99/860370799.db2.gz UXTLBLUPELUCCM-SFHVURJKSA-N -1 1 386.473 3.891 20 30 GHEDMM C=CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000474680179 860618697 /nfs/dbraw/zinc/61/86/97/860618697.db2.gz JIZJSCOODBMZEW-UHFFFAOYSA-N -1 1 388.489 3.582 20 30 GHEDMM N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2c([O-])cccc2F)CC1 ZINC000609851198 865067811 /nfs/dbraw/zinc/06/78/11/865067811.db2.gz SUFJPKSXACGOIF-UHFFFAOYSA-N -1 1 396.378 3.506 20 30 GHEDMM CN(Cc1cccc(C#N)c1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000554953085 865234481 /nfs/dbraw/zinc/23/44/81/865234481.db2.gz VMFVSYNEGZXYQD-UHFFFAOYSA-N -1 1 396.244 3.847 20 30 GHEDMM C=CC1CCN(c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2)CC1 ZINC000301570122 865430971 /nfs/dbraw/zinc/43/09/71/865430971.db2.gz LSBVIFQXYFLROR-UHFFFAOYSA-N -1 1 379.432 3.563 20 30 GHEDMM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1-n1cncn1 ZINC000608553207 865452734 /nfs/dbraw/zinc/45/27/34/865452734.db2.gz ZLDMSZGRQREPGG-AWEZNQCLSA-N -1 1 377.404 3.815 20 30 GHEDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cs1 ZINC000614779352 866363466 /nfs/dbraw/zinc/36/34/66/866363466.db2.gz UEEAADDDQVAOJR-UHFFFAOYSA-N -1 1 389.479 3.708 20 30 GHEDMM N#Cc1ccc(C(=O)NCC2(c3ccc(Br)s3)CCC2)cc1[O-] ZINC000553066041 866732452 /nfs/dbraw/zinc/73/24/52/866732452.db2.gz HGYXULIIGNOVRR-UHFFFAOYSA-N -1 1 391.290 3.940 20 30 GHEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(COc2ccccc2C#N)o1 ZINC000128271965 867702292 /nfs/dbraw/zinc/70/22/92/867702292.db2.gz FFLYGPGWMAJXII-SFHVURJKSA-N -1 1 385.379 3.691 20 30 GHEDMM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4cccc(C#N)c4)cc3)nc2c1 ZINC000523932987 868289238 /nfs/dbraw/zinc/28/92/38/868289238.db2.gz KRPCFRDPXGBLTR-UHFFFAOYSA-N -1 1 388.452 3.982 20 30 GHEDMM CCC(CC)(CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC)c(OC)c1 ZINC000443122536 869458620 /nfs/dbraw/zinc/45/86/20/869458620.db2.gz ZOYKQZQBNRQIKG-UHFFFAOYSA-N -1 1 382.460 3.769 20 30 GHEDMM O=C1c2cc3c(cc2OC/C1=C/c1ccc([O-])c(Br)c1)OCO3 ZINC000745634499 869695000 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/nfs/dbraw/zinc/99/69/59/867996959.db2.gz PBVWJIJQAMQGBJ-UHFFFAOYSA-N -1 1 380.263 3.570 20 30 GHEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(=O)OC(C)(C)C)o2)c1 ZINC000744029209 868538439 /nfs/dbraw/zinc/53/84/39/868538439.db2.gz QEBFQADIXJEVDO-INIZCTEOSA-N -1 1 397.431 3.574 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccccc2)c1 ZINC000524852319 869676827 /nfs/dbraw/zinc/67/68/27/869676827.db2.gz NKWYVVPPSBQCBE-UHFFFAOYSA-N -1 1 376.437 3.899 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cnc(N3CCCC[C@@H]3C)c(C)c2)ccc1C#N ZINC000446763681 870317195 /nfs/dbraw/zinc/31/71/95/870317195.db2.gz YBZWPDLJRPTZAB-INIZCTEOSA-N -1 1 384.505 3.750 20 30 GHEDMM N#C[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cccc(C(F)(F)F)c1 ZINC000446766298 870320639 /nfs/dbraw/zinc/32/06/39/870320639.db2.gz RFCWWWRKQXOXPK-HNNXBMFYSA-N -1 1 390.333 3.668 20 30 GHEDMM N#Cc1cc(F)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC001192429735 870359556 /nfs/dbraw/zinc/35/95/56/870359556.db2.gz OLNIITACYHFLIR-UHFFFAOYSA-N -1 1 389.191 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ZINC000618958081 872174156 /nfs/dbraw/zinc/17/41/56/872174156.db2.gz NAKYSXULXQEZKZ-UHFFFAOYSA-N -1 1 394.456 3.612 20 30 GHEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)c(Cl)cc2F)CCCC1 ZINC001195442639 872392597 /nfs/dbraw/zinc/39/25/97/872392597.db2.gz PBVAPHZTSMUOMM-UHFFFAOYSA-N -1 1 395.681 3.604 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000182519393 872487569 /nfs/dbraw/zinc/48/75/69/872487569.db2.gz SYCJHUSLKPXVPF-UHFFFAOYSA-N -1 1 376.397 3.562 20 30 GHEDMM C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c(=S)[n-]c1=O ZINC001196015614 872817482 /nfs/dbraw/zinc/81/74/82/872817482.db2.gz DLSHHLIITYZRJP-AWEZNQCLSA-N -1 1 390.468 3.746 20 30 GHEDMM Cn1cc(/C=C\C(=O)c2ccc([O-])cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000767878794 872908046 /nfs/dbraw/zinc/90/80/46/872908046.db2.gz AIVFEDDPHMRCEL-UITAMQMPSA-N -1 1 376.412 3.850 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CC[C@@]4(C3)CC(F)(F)CO4)c2)c1 ZINC001196319922 873029801 /nfs/dbraw/zinc/02/98/01/873029801.db2.gz ZSMNMSBTBGHXEX-FQEVSTJZSA-N -1 1 384.382 3.571 20 30 GHEDMM COCC1(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)Cc2ccccc2C1 ZINC001196328541 873034526 /nfs/dbraw/zinc/03/45/26/873034526.db2.gz JIPMWVRNAPXYBL-UHFFFAOYSA-N -1 1 398.462 3.845 20 30 GHEDMM Cc1cccn2cc(CNC(=O)c3cc([O-])cc(-c4cccc(C#N)c4)c3)nc12 ZINC001196329484 873036385 /nfs/dbraw/zinc/03/63/85/873036385.db2.gz CNOXKFJPYOIBNG-UHFFFAOYSA-N -1 1 382.423 3.817 20 30 GHEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ncccc3F)n2)c1 ZINC000768781552 873574624 /nfs/dbraw/zinc/57/46/24/873574624.db2.gz UJYJDLUZAWZUQI-CYBMUJFWSA-N -1 1 380.404 3.614 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)c(Br)c1 ZINC001198073945 874198642 /nfs/dbraw/zinc/19/86/42/874198642.db2.gz UECJRDOCOQCDHR-LLVKDONJSA-N -1 1 395.278 3.886 20 30 GHEDMM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000542234389 875196077 /nfs/dbraw/zinc/19/60/77/875196077.db2.gz CIRBIAZNSCTJOL-UHFFFAOYSA-N -1 1 380.429 3.595 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cnn([C@@H]4CCCCO4)c3c2)cc1C#N ZINC001201317049 875628634 /nfs/dbraw/zinc/62/86/34/875628634.db2.gz NCXHLDBYDIPPKW-FQEVSTJZSA-N -1 1 396.472 3.716 20 30 GHEDMM C=C(C)CCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000508638360 882969402 /nfs/dbraw/zinc/96/94/02/882969402.db2.gz RNAXMMLZSJKPGA-LLVKDONJSA-N -1 1 389.399 3.637 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000776356513 876330256 /nfs/dbraw/zinc/33/02/56/876330256.db2.gz XIYFNRIFRCFILC-HXUWFJFHSA-N -1 1 378.453 3.701 20 30 GHEDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000788490162 878098422 /nfs/dbraw/zinc/09/84/22/878098422.db2.gz XUKKBSFQKRWEKC-UHFFFAOYSA-N -1 1 399.291 3.549 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Oc3cccnc3)cc2)n1 ZINC000068337700 878377076 /nfs/dbraw/zinc/37/70/76/878377076.db2.gz DTAPNUWBQFKSRD-MRXNPFEDSA-N -1 1 393.424 3.997 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000530754633 878424446 /nfs/dbraw/zinc/42/44/46/878424446.db2.gz NQUQMQFIDSODRF-UHFFFAOYSA-N -1 1 385.367 3.689 20 30 GHEDMM N#Cc1ccccc1OCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552022674 879900587 /nfs/dbraw/zinc/90/05/87/879900587.db2.gz BUHORWVOUFQBFK-UHFFFAOYSA-N -1 1 381.613 3.697 20 30 GHEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1[O-] ZINC000476860882 883317739 /nfs/dbraw/zinc/31/77/39/883317739.db2.gz XILFYMWIPSLGFV-CQSZACIVSA-N -1 1 376.243 3.579 20 30 GHEDMM C=CCOc1c(Br)cc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1OC ZINC000263044945 883502571 /nfs/dbraw/zinc/50/25/71/883502571.db2.gz JQDIMIUEINMSKS-OCCSQVGLSA-N -1 1 398.297 3.565 20 30 GHEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccc1F ZINC000103636612 885100739 /nfs/dbraw/zinc/10/07/39/885100739.db2.gz LRQJDLDJRYDXAT-CYBMUJFWSA-N -1 1 381.432 3.801 20 30 GHEDMM CCC[C@@H](NC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1)c1nn[n-]n1 ZINC000121852470 885334368 /nfs/dbraw/zinc/33/43/68/885334368.db2.gz XKSAXKIIPZRNAE-OAHLLOKOSA-N -1 1 396.838 3.788 20 30 GHEDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000747402052 885516386 /nfs/dbraw/zinc/51/63/86/885516386.db2.gz ILTMBESEMAAXQD-UHFFFAOYSA-N -1 1 396.497 3.743 20 30 GHEDMM COc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000046706973 885789711 /nfs/dbraw/zinc/78/97/11/885789711.db2.gz CMOCGHVRBFPHQY-CQSZACIVSA-N -1 1 379.441 3.774 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCc3ccccc3F)c2)c(=O)o1 ZINC000130663814 885889251 /nfs/dbraw/zinc/88/92/51/885889251.db2.gz MDRUMNHRNURBPE-GLCJEOIMSA-N -1 1 380.371 3.633 20 30 GHEDMM C[C@H]1CCN(c2nc(C(C)(C)C)ccc2C#N)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000808078918 885978890 /nfs/dbraw/zinc/97/88/90/885978890.db2.gz IAZSEISGDOSKLA-HUBLWGQQSA-N -1 1 382.430 3.533 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c(Cl)c1 ZINC000169254660 886760771 /nfs/dbraw/zinc/76/07/71/886760771.db2.gz RKAZEROYSDXDFJ-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM COc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc(OC)c1OCC(F)F ZINC000809155072 887150242 /nfs/dbraw/zinc/15/02/42/887150242.db2.gz NZZWBPIFCCLYBJ-LHHJGKSTSA-N -1 1 392.354 3.978 20 30 GHEDMM C=C(C)Cn1c(CC(C)C)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000670232908 887786085 /nfs/dbraw/zinc/78/60/85/887786085.db2.gz GBBXVBJJXIRJHE-UHFFFAOYSA-N -1 1 382.508 3.858 20 30 GHEDMM Cc1ccc(C2N=NC(=S)N2N=Cc2cccc(Br)c2[O-])cc1 ZINC000915942716 888582197 /nfs/dbraw/zinc/58/21/97/888582197.db2.gz QCFHIXZETHCGOO-UHFFFAOYSA-N -1 1 389.278 3.893 20 30 GHEDMM CCCCCCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1OC ZINC000916137438 888758794 /nfs/dbraw/zinc/75/87/94/888758794.db2.gz UAAUUXQTUJKDMA-DJGBTNNQSA-N -1 1 386.444 3.883 20 30 GHEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)OCC#N)cc2)c(C)c1C ZINC000916611901 889183536 /nfs/dbraw/zinc/18/35/36/889183536.db2.gz LRLRHPTYZIIPQY-UHFFFAOYSA-N -1 1 386.473 3.710 20 30 GHEDMM N#CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000124405511 889620798 /nfs/dbraw/zinc/62/07/98/889620798.db2.gz ZWOLSSOKFKNUHP-CQSZACIVSA-N -1 1 379.825 3.572 20 30 GHEDMM CC(C)(C)c1ccc2[nH]cc(C=NN=C3[N-]S(=O)(=O)c4ccccc43)c2c1 ZINC000811638161 889834693 /nfs/dbraw/zinc/83/46/93/889834693.db2.gz IZGPJXHWYALPBD-UHFFFAOYSA-N -1 1 380.473 3.538 20 30 GHEDMM CCOC1CC2(C[C@H]2C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000870124508 890222824 /nfs/dbraw/zinc/22/28/24/890222824.db2.gz YHMAPJIUUYWXJH-AIHSIFCGSA-N -1 1 397.500 3.657 20 30 GHEDMM N#Cc1c(Cl)cc(C(=O)Nc2cc(Br)ccc2[O-])nc1Cl ZINC001184807881 913439880 /nfs/dbraw/zinc/43/98/80/913439880.db2.gz LUTXRNZDLUXOQZ-UHFFFAOYSA-N -1 1 387.020 3.980 20 30 GHEDMM C=CCOc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1OC ZINC000198883778 891346738 /nfs/dbraw/zinc/34/67/38/891346738.db2.gz XRGFNCNJXSKZTC-UHFFFAOYSA-N -1 1 395.455 3.701 20 30 GHEDMM N#C[C@H](C(=O)Cc1ccc(Cl)cn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000873496319 891654236 /nfs/dbraw/zinc/65/42/36/891654236.db2.gz UUTRMYBFCPISJC-CYBMUJFWSA-N -1 1 398.875 3.743 20 30 GHEDMM C=CC[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000626485345 893024410 /nfs/dbraw/zinc/02/44/10/893024410.db2.gz RARBOSNJRDLQIW-MRXNPFEDSA-N -1 1 385.489 3.917 20 30 GHEDMM N#Cc1ccc(OC2CCN(C(=O)NCc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000876393326 893123196 /nfs/dbraw/zinc/12/31/96/893123196.db2.gz HIDNQMVTOSNKSR-UHFFFAOYSA-N -1 1 385.851 3.670 20 30 GHEDMM C=CCC(F)(F)C(=O)[N-][C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)OCC ZINC000815796269 894214459 /nfs/dbraw/zinc/21/44/59/894214459.db2.gz QEEJJDJHSICDCE-ZDUSSCGKSA-N -1 1 380.218 3.795 20 30 GHEDMM N#CC(=C([O-])c1ccc(N2CCNC2=O)cc1)c1nc(-c2ccccc2)cs1 ZINC000041532873 896379826 /nfs/dbraw/zinc/37/98/26/896379826.db2.gz QEFBIRFYCGOJGE-QGZVFWFLSA-N -1 1 388.452 3.830 20 30 GHEDMM N#C[C@H](OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1)C1CC1 ZINC000822801222 898634317 /nfs/dbraw/zinc/63/43/17/898634317.db2.gz GNHCRFZFTJIYNM-INIZCTEOSA-N -1 1 395.806 3.771 20 30 GHEDMM CC1(C)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]1C#N ZINC000332533619 899743302 /nfs/dbraw/zinc/74/33/02/899743302.db2.gz RZSQJDOEJAIECS-IBGZPJMESA-N -1 1 397.500 3.642 20 30 GHEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CCc2c(Br)cccc21 ZINC000826475271 900803647 /nfs/dbraw/zinc/80/36/47/900803647.db2.gz ARKUBNJGSWPBEX-HJWRWDBZSA-N -1 1 387.262 3.903 20 30 GHEDMM Cc1c([N-][NH+]=Cc2c(Cl)cccc2N2CCN(C)CC2)cccc1C(=O)[O-] ZINC000844622986 901085385 /nfs/dbraw/zinc/08/53/85/901085385.db2.gz GLAQCJFOOQQQNE-UHFFFAOYSA-N -1 1 386.883 3.544 20 30 GHEDMM C[C@H](Oc1ccccc1)C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001144491658 902269760 /nfs/dbraw/zinc/26/97/60/902269760.db2.gz WBIDTEMXXRZSII-XMOVILSBSA-N -1 1 394.456 3.628 20 30 GHEDMM CC(=O)Nc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1 ZINC001173975874 906775831 /nfs/dbraw/zinc/77/58/31/906775831.db2.gz XVNKGDORAHEJMB-RGVLZGJSSA-N -1 1 379.445 3.924 20 30 GHEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000795362053 910050027 /nfs/dbraw/zinc/05/00/27/910050027.db2.gz SGGBUYZTPBWZOI-UHFFFAOYSA-N -1 1 378.866 3.664 20 30 GHEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1ccccc1Cl ZINC000429575738 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394.219 3.879 20 30 GHEDMM CCCCCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccncc1[O-] ZINC001472506001 1073520395 /nfs/dbraw/zinc/52/03/95/1073520395.db2.gz IAWXLDXBZINWFT-MRXNPFEDSA-N -1 1 379.501 3.792 20 30 GHEDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)c1cccc(Cl)c1 ZINC001474837342 1074586699 /nfs/dbraw/zinc/58/66/99/1074586699.db2.gz JOWCIPBTFLFIPI-OAHLLOKOSA-N -1 1 379.825 3.549 20 30 GHEDMM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC001475384635 1074855765 /nfs/dbraw/zinc/85/57/65/1074855765.db2.gz BQLIUXRBALESPP-ZDUSSCGKSA-N -1 1 398.843 3.853 20 30 GHEDMM C[C@H](CC#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735975523 599219894 /nfs/dbraw/zinc/21/98/94/599219894.db2.gz OZJITUREVJRUBO-LLVKDONJSA-N -1 1 383.795 3.771 20 30 GHEDMM COc1ccc(Cl)cc1C(CC(C)C)N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000737098645 599368126 /nfs/dbraw/zinc/36/81/26/599368126.db2.gz WDLJICLRFUTFDI-UHFFFAOYSA-N -1 1 389.847 3.687 20 30 GHEDMM N#CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000392191553 601321338 /nfs/dbraw/zinc/32/13/38/601321338.db2.gz UIIZUTRMTUBLPD-UHFFFAOYSA-N -1 1 385.228 3.558 20 30 GHEDMM COc1ccc([C@@H](C)C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000821777665 606166311 /nfs/dbraw/zinc/16/63/11/606166311.db2.gz KUBPFFVNTNTQCI-NSHDSACASA-N -1 1 383.456 3.752 20 30 GHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)cc3cccnc32)o1 ZINC000820196780 606836750 /nfs/dbraw/zinc/83/67/50/606836750.db2.gz CKEXPAOCISHFLP-UHFFFAOYSA-N -1 1 382.815 3.626 20 30 GHEDMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCc2cc(F)ccc2C#N)n1 ZINC000822191676 607037977 /nfs/dbraw/zinc/03/79/77/607037977.db2.gz NSZUKGOHQFUJSX-UHFFFAOYSA-N -1 1 394.357 3.892 20 30 GHEDMM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824753548 607929294 /nfs/dbraw/zinc/92/92/94/607929294.db2.gz DWWCGFLHOYLQJR-LLVKDONJSA-N -1 1 396.476 3.503 20 30 GHEDMM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824753548 607929295 /nfs/dbraw/zinc/92/92/95/607929295.db2.gz DWWCGFLHOYLQJR-LLVKDONJSA-N -1 1 396.476 3.503 20 30 GHEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OCCCC#N ZINC000826190545 608092073 /nfs/dbraw/zinc/09/20/73/608092073.db2.gz FKSVAOVWBMUBDG-XQRVVYSFSA-N -1 1 395.444 3.515 20 30 GHEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OCCCC#N ZINC000826190545 608092074 /nfs/dbraw/zinc/09/20/74/608092074.db2.gz FKSVAOVWBMUBDG-XQRVVYSFSA-N -1 1 395.444 3.515 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c(F)c1 ZINC000580808762 837422735 /nfs/dbraw/zinc/42/27/35/837422735.db2.gz JYBTWMSGKHTQSC-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM CCOC(=O)C(=C([O-])CSc1ccc(C#N)cc1Cl)c1nc(C)cs1 ZINC000163301909 834783987 /nfs/dbraw/zinc/78/39/87/834783987.db2.gz IPNCGCFYJULOEP-HNNXBMFYSA-N -1 1 394.905 3.985 20 30 GHEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1C1CCOCC1 ZINC000179424056 835559262 /nfs/dbraw/zinc/55/92/62/835559262.db2.gz LQOHLFMWVVCWJF-AWEZNQCLSA-N -1 1 399.401 3.778 20 30 GHEDMM Cc1ccc(COc2ccc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2)cc1 ZINC000255027237 835976261 /nfs/dbraw/zinc/97/62/61/835976261.db2.gz FZQPHEPQQZHYNN-REBWPMHBSA-N -1 1 376.408 3.802 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@](C)(C#N)C3)c2)cc1 ZINC000612240613 835997244 /nfs/dbraw/zinc/99/72/44/835997244.db2.gz RTQOMNDBMBGFBR-OAQYLSRUSA-N -1 1 397.500 3.562 20 30 GHEDMM C[C@@H]1C[C@@H]1c1cc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)n[nH]1 ZINC000579901569 837015306 /nfs/dbraw/zinc/01/53/06/837015306.db2.gz WSROMTKASLLVJS-ABAIWWIYSA-N -1 1 378.461 3.518 20 30 GHEDMM COc1cccc(C(NC(=O)c2ccc(C#N)c([O-])c2)c2cccc(OC)c2)c1 ZINC000188612725 837118070 /nfs/dbraw/zinc/11/80/70/837118070.db2.gz PKEJSVHGTZMJSZ-UHFFFAOYSA-N -1 1 388.423 3.800 20 30 GHEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)n(CC(F)(F)F)c3c2)n1 ZINC000659010612 837217337 /nfs/dbraw/zinc/21/73/37/837217337.db2.gz SAFHKUXBOPFTDI-JTQLQIEISA-N -1 1 380.351 3.559 20 30 GHEDMM CC[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000122175269 837920795 /nfs/dbraw/zinc/92/07/95/837920795.db2.gz YRPXYIDDJGILEN-OAHLLOKOSA-N -1 1 378.837 3.600 20 30 GHEDMM N#Cc1c(F)cccc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000188995230 838053862 /nfs/dbraw/zinc/05/38/62/838053862.db2.gz SXEQJMWEKVXJFZ-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM C=C(C)Cn1c(COCC)n[n-]c1=N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000460769839 838172945 /nfs/dbraw/zinc/17/29/45/838172945.db2.gz PFJNALZFKVCYLZ-KSSFIOAISA-N -1 1 378.904 3.654 20 30 GHEDMM Cc1nc(-c2cc3c(s2)CCN(C(=O)c2cc([O-])cc(C#N)c2)C3)cs1 ZINC000614373974 844318032 /nfs/dbraw/zinc/31/80/32/844318032.db2.gz LYCJJMSURRVFCE-UHFFFAOYSA-N -1 1 381.482 3.956 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Br ZINC000319528808 839451223 /nfs/dbraw/zinc/45/12/23/839451223.db2.gz DZZMENNIAOVSFA-UHFFFAOYSA-N -1 1 377.263 3.610 20 30 GHEDMM Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000195082766 840400676 /nfs/dbraw/zinc/40/06/76/840400676.db2.gz IEJNQSILTWSYPD-AWEZNQCLSA-N -1 1 382.489 3.796 20 30 GHEDMM CC(C)(CC#N)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000413412691 841120244 /nfs/dbraw/zinc/12/02/44/841120244.db2.gz SHRSFHSJOJFZHJ-UHFFFAOYSA-N -1 1 388.449 3.747 20 30 GHEDMM CC(C)Cc1cc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)n[nH]1 ZINC000572087581 842957861 /nfs/dbraw/zinc/95/78/61/842957861.db2.gz XMBFBSPJKRAVQM-UHFFFAOYSA-N -1 1 380.477 3.593 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1Br ZINC000432614744 843301057 /nfs/dbraw/zinc/30/10/57/843301057.db2.gz FPOYLZZYCDQVGV-UHFFFAOYSA-N -1 1 376.235 3.603 20 30 GHEDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(OC)c(OCCCC#N)c2)[n-]c1=O ZINC000278911512 843728207 /nfs/dbraw/zinc/72/82/07/843728207.db2.gz ZLWXUKUMQLIAOG-SDNWHVSQSA-N -1 1 397.431 3.611 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1Br ZINC000432774463 843777955 /nfs/dbraw/zinc/77/79/55/843777955.db2.gz PCSJUSUBSSDYGC-UHFFFAOYSA-N -1 1 377.219 3.868 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)nc2)c(C)c1 ZINC000603979770 861495910 /nfs/dbraw/zinc/49/59/10/861495910.db2.gz UFFUXWWZFORKHU-UHFFFAOYSA-N -1 1 395.440 3.863 20 30 GHEDMM CCOc1ccc(F)c([N-]c2nc(C#N)c(C#N)nc2Cl)c1Br ZINC001211756248 845149676 /nfs/dbraw/zinc/14/96/76/845149676.db2.gz DRMITJPDCLPMQN-UHFFFAOYSA-N -1 1 396.607 3.917 20 30 GHEDMM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000182887450 845586761 /nfs/dbraw/zinc/58/67/61/845586761.db2.gz HXWYRGSZGGAELE-LLVKDONJSA-N -1 1 378.837 3.591 20 30 GHEDMM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000479493246 847669324 /nfs/dbraw/zinc/66/93/24/847669324.db2.gz XXWSWYGVMWNZMB-UHFFFAOYSA-N -1 1 398.843 3.567 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnc(N2CCCC[C@H]2C)c(C)c1 ZINC000502411363 847852909 /nfs/dbraw/zinc/85/29/09/847852909.db2.gz ANSHVKJYKGHBKL-MRXNPFEDSA-N -1 1 384.505 3.750 20 30 GHEDMM C=CC[C@@H]1N(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)CCCC1(C)C ZINC000277851004 848219925 /nfs/dbraw/zinc/21/99/25/848219925.db2.gz CLRLGHJLJYGLFA-SFHVURJKSA-N -1 1 380.492 3.688 20 30 GHEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccccc3C(C)C)nc(=O)c2c1C ZINC000121974311 848601979 /nfs/dbraw/zinc/60/19/79/848601979.db2.gz KQRKNJSWMSARNU-CQSZACIVSA-N -1 1 380.473 3.971 20 30 GHEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1F ZINC000435169209 850181824 /nfs/dbraw/zinc/18/18/24/850181824.db2.gz SSISOXYGUKIEFN-UHFFFAOYSA-N -1 1 388.342 3.916 20 30 GHEDMM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)C(=O)[O-] ZINC000908757951 850334389 /nfs/dbraw/zinc/33/43/89/850334389.db2.gz WQDCJBRPZDIKCP-QZTJIDSGSA-N -1 1 393.915 3.586 20 30 GHEDMM N#Cc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1F ZINC000504955629 850476981 /nfs/dbraw/zinc/47/69/81/850476981.db2.gz OJLWRZFLEPRIDT-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM CC(C)CCN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000505181872 850693413 /nfs/dbraw/zinc/69/34/13/850693413.db2.gz KJSCNRGTGSQYFM-UHFFFAOYSA-N -1 1 399.516 3.889 20 30 GHEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnn3CC(F)F)n2)cc1 ZINC000434623694 851375600 /nfs/dbraw/zinc/37/56/00/851375600.db2.gz MMTZVYGCDPOKET-CYBMUJFWSA-N -1 1 388.399 3.770 20 30 GHEDMM C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000522643102 862251536 /nfs/dbraw/zinc/25/15/36/862251536.db2.gz AXMOKYFCJXDJQM-ZDUSSCGKSA-N -1 1 378.881 3.835 20 30 GHEDMM C=CCN(C(=O)c1cc2ccccc2cc1[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000436556501 852044847 /nfs/dbraw/zinc/04/48/47/852044847.db2.gz QGJMBGUHNWLRDX-MRXNPFEDSA-N -1 1 399.454 3.911 20 30 GHEDMM CCn1cc(/C=C/C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cn1 ZINC000732528885 862337046 /nfs/dbraw/zinc/33/70/46/862337046.db2.gz CRNLSDIZYODCJV-AWNIVKPZSA-N -1 1 395.484 3.908 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)cn1 ZINC000150809238 852428343 /nfs/dbraw/zinc/42/83/43/852428343.db2.gz IAXFNAYHHWNZRA-UHFFFAOYSA-N -1 1 381.461 3.678 20 30 GHEDMM Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427193005 852843159 /nfs/dbraw/zinc/84/31/59/852843159.db2.gz PZHBPDGBCVDASQ-UHFFFAOYSA-N -1 1 393.468 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835529675 /nfs/dbraw/zinc/52/96/75/835529675.db2.gz KRBCXQBAOLCIOS-NHYWBVRUSA-N -1 1 388.821 3.832 20 30 GHEDMM C=CCCCCCCCN1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC001209442147 836572056 /nfs/dbraw/zinc/57/20/56/836572056.db2.gz OJGFITDQQUSPSF-INIZCTEOSA-N -1 1 384.567 3.544 20 30 GHEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c2c(ccc1Cl)CC(C)(C)O2 ZINC000430372386 836847492 /nfs/dbraw/zinc/84/74/92/836847492.db2.gz RUVFLOFXNHKAKA-UHFFFAOYSA-N -1 1 392.864 3.735 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 ZINC000614363169 844294617 /nfs/dbraw/zinc/29/46/17/844294617.db2.gz IYNJAJUDWGROBQ-SFHVURJKSA-N -1 1 387.842 3.623 20 30 GHEDMM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614364024 844295551 /nfs/dbraw/zinc/29/55/51/844295551.db2.gz FSDDMJAWQJITQO-GASCZTMLSA-N -1 1 391.471 3.943 20 30 GHEDMM CCN1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000189124941 838200307 /nfs/dbraw/zinc/20/03/07/838200307.db2.gz 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CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)CCCCCC#N ZINC000588156429 854130706 /nfs/dbraw/zinc/13/07/06/854130706.db2.gz IVDCPGGEUAAQPZ-UHFFFAOYSA-N -1 1 399.516 3.920 20 30 GHEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)Sc1ccc(Br)cc1 ZINC000589179451 854721294 /nfs/dbraw/zinc/72/12/94/854721294.db2.gz PNDPWONBZHGNIZ-LLVKDONJSA-N -1 1 391.290 3.937 20 30 GHEDMM CCOc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000056802178 855053618 /nfs/dbraw/zinc/05/36/18/855053618.db2.gz YYIQNGUADUIHDB-UHFFFAOYSA-N -1 1 393.443 3.789 20 30 GHEDMM N#Cc1cccnc1OC1CCC(NC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000438611233 855815592 /nfs/dbraw/zinc/81/55/92/855815592.db2.gz XMAGMPZJOWHVFO-UHFFFAOYSA-N -1 1 387.439 3.932 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C(F)(F)F ZINC000172240981 856377836 /nfs/dbraw/zinc/37/78/36/856377836.db2.gz MPZJAPKYAPMDCX-UHFFFAOYSA-N -1 1 383.395 3.752 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000172589905 856490370 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CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594768714 858276651 /nfs/dbraw/zinc/27/66/51/858276651.db2.gz OCHBXVGGSGDVNO-ZETCQYMHSA-N -1 1 386.098 3.726 20 30 GHEDMM C=CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000116854892 859194682 /nfs/dbraw/zinc/19/46/82/859194682.db2.gz WRNKPQOMLOONCC-CQSZACIVSA-N -1 1 376.453 3.629 20 30 GHEDMM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccc2ccccc2n1 ZINC000611211975 859646570 /nfs/dbraw/zinc/64/65/70/859646570.db2.gz XCEXPPPXACTMEQ-HNNXBMFYSA-N -1 1 383.367 3.819 20 30 GHEDMM CCOCCCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(F)cc1[O-] ZINC000727778148 860221514 /nfs/dbraw/zinc/22/15/14/860221514.db2.gz ZSOXKWJGVHEWJD-UHFFFAOYSA-N -1 1 398.438 3.504 20 30 GHEDMM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1nc(C(F)(F)F)cs1 ZINC000593554774 860338929 /nfs/dbraw/zinc/33/89/29/860338929.db2.gz BOBZINOTHIZCOZ-ZETCQYMHSA-N -1 1 381.426 3.525 20 30 GHEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(-c2ccco2)sc1C ZINC000129955860 860734891 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ZINC001195298933 872320355 /nfs/dbraw/zinc/32/03/55/872320355.db2.gz JRQUXDKKANPSJL-QGZVFWFLSA-N -1 1 392.808 3.801 20 30 GHEDMM N#Cc1ccc(CSc2n[n-]c(=NCc3[nH]nc4ccccc43)s2)cc1 ZINC000619206001 872401080 /nfs/dbraw/zinc/40/10/80/872401080.db2.gz ZSDXTFCHMPYGGH-UHFFFAOYSA-N -1 1 378.486 3.612 20 30 GHEDMM N#Cc1c(F)ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1F ZINC001195491054 872443249 /nfs/dbraw/zinc/44/32/49/872443249.db2.gz MCAAAPJUQUJFCM-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM COc1ccc(O)c(/C=N/Cc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000102200265 872747809 /nfs/dbraw/zinc/74/78/09/872747809.db2.gz ULCJVHUYIHADJV-PXLXIMEGSA-N -1 1 396.468 3.821 20 30 GHEDMM CC(=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000746491529 872847093 /nfs/dbraw/zinc/84/70/93/872847093.db2.gz IUZXLIYQQDBQNV-UHFFFAOYSA-N -1 1 383.429 3.592 20 30 GHEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC001196549529 873201806 /nfs/dbraw/zinc/20/18/06/873201806.db2.gz ATHIWVWKUKWEQH-UHFFFAOYSA-N -1 1 379.279 3.992 20 30 GHEDMM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC001196552575 873207141 /nfs/dbraw/zinc/20/71/41/873207141.db2.gz XYITWCNFGJRKSD-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(Cl)c(OC)c1 ZINC001196690360 873329794 /nfs/dbraw/zinc/32/97/94/873329794.db2.gz NCYIVDAVOIASCA-UHFFFAOYSA-N -1 1 387.244 3.683 20 30 GHEDMM C[Si](C)(C)C#Cc1cccc(NC(=O)c2sccc2[N-]S(C)(=O)=O)c1 ZINC001196729095 873339673 /nfs/dbraw/zinc/33/96/73/873339673.db2.gz IPCRCHQFGTWJRE-UHFFFAOYSA-N -1 1 392.578 3.601 20 30 GHEDMM Cc1cnc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1Cl ZINC001197279591 873708150 /nfs/dbraw/zinc/70/81/50/873708150.db2.gz BHUVLXOAQWOZKI-ZVBGSRNCSA-N -1 1 399.863 3.831 20 30 GHEDMM CCCCOc1ccc(C=NOCC(=O)Nc2c([O-])cccc2F)cc1OC ZINC000770864399 874896403 /nfs/dbraw/zinc/89/64/03/874896403.db2.gz WNMJBSKTOWAONC-UHFFFAOYSA-N -1 1 390.411 3.708 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1C#N ZINC001201316906 875628510 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20 30 GHEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000174742180 878420716 /nfs/dbraw/zinc/42/07/16/878420716.db2.gz UZEFGPFICFSGHE-UHFFFAOYSA-N -1 1 385.257 3.671 20 30 GHEDMM C=C(C)Cn1c(COCC)n[n-]c1=N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000460769838 878532156 /nfs/dbraw/zinc/53/21/56/878532156.db2.gz PFJNALZFKVCYLZ-KDOFPFPSSA-N -1 1 378.904 3.654 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OCC(C)(C)C#N)cc2)ccc1F ZINC000180161006 878621796 /nfs/dbraw/zinc/62/17/96/878621796.db2.gz GIVJSAJBFZEGGK-UHFFFAOYSA-N -1 1 390.436 3.642 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Br)c(OC)c2)c1 ZINC000531106130 879143427 /nfs/dbraw/zinc/14/34/27/879143427.db2.gz JEKBKTSEISXQAA-UHFFFAOYSA-N -1 1 398.278 3.823 20 30 GHEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)c1 ZINC000538515940 879642741 /nfs/dbraw/zinc/64/27/41/879642741.db2.gz YRQYPTNMCPYONS-MRXNPFEDSA-N -1 1 384.505 3.843 20 30 GHEDMM CSCc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000531489400 879956143 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ZINC000565517759 895693485 /nfs/dbraw/zinc/69/34/85/895693485.db2.gz XKHDHMNTYIXJIE-AWEZNQCLSA-N -1 1 392.484 3.587 20 30 GHEDMM C=CCCO[C@@H](C)C(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2C2CC2)s1 ZINC000104281457 898135799 /nfs/dbraw/zinc/13/57/99/898135799.db2.gz ZPVKZLTXWYTGPW-JTQLQIEISA-N -1 1 379.511 3.627 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1F ZINC000569895085 899011068 /nfs/dbraw/zinc/01/10/68/899011068.db2.gz LBEBXFRKLHDLCD-UHFFFAOYSA-N -1 1 376.743 3.753 20 30 GHEDMM CC(C)n1c(C2CCN(C(=O)C=Cc3ccccc3C#N)CC2)n[n-]c1=S ZINC000068435862 901088575 /nfs/dbraw/zinc/08/85/75/901088575.db2.gz GLDTTZKYZJHDPF-BQYQJAHWSA-N -1 1 381.505 3.813 20 30 GHEDMM Cc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cccc1N1CCOC1=O ZINC000844656958 901118358 /nfs/dbraw/zinc/11/83/58/901118358.db2.gz LGUDMCRGNXRRFS-UHFFFAOYSA-N -1 1 399.472 3.554 20 30 GHEDMM Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccccc3-c3ccc(C#N)cn3)cc2)[n-]1 ZINC001148338215 904045184 /nfs/dbraw/zinc/04/51/84/904045184.db2.gz VBOIJDHOVMMNHJ-UHFFFAOYSA-N -1 1 395.422 3.985 20 30 GHEDMM N#Cc1cc(Br)ccc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212688434 905952502 /nfs/dbraw/zinc/95/25/02/905952502.db2.gz BFWGVRPMQMHANA-UHFFFAOYSA-N -1 1 384.115 3.780 20 30 GHEDMM N#Cc1cc(Br)ccc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212688434 905952515 /nfs/dbraw/zinc/95/25/15/905952515.db2.gz BFWGVRPMQMHANA-UHFFFAOYSA-N -1 1 384.115 3.780 20 30 GHEDMM CC(=O)Nc1ccccc1Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001173993740 906768384 /nfs/dbraw/zinc/76/83/84/906768384.db2.gz RKKRROWDMLSXIX-RGVLZGJSSA-N -1 1 379.445 3.924 20 30 GHEDMM N=C(c1ccccc1N)N([O-])C(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC001181173338 910585304 /nfs/dbraw/zinc/58/53/04/910585304.db2.gz FIKRLKBSGYTYHL-UHFFFAOYSA-N -1 1 377.366 3.953 20 30 GHEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(C(=O)OC)cc1F ZINC000773979957 911216659 /nfs/dbraw/zinc/21/66/59/911216659.db2.gz NOGRNPAAQAPTTO-KRWDZBQOSA-N -1 1 396.418 3.698 20 30 GHEDMM CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)[N-]Cc3ccc(C#N)o3)c2o1 ZINC001188199105 915808738 /nfs/dbraw/zinc/80/87/38/915808738.db2.gz BFHQJCHBESLOFG-UHFFFAOYSA-N -1 1 393.852 3.722 20 30 GHEDMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)cc(C(=O)OC)c2)cc1 ZINC001190447270 917350250 /nfs/dbraw/zinc/35/02/50/917350250.db2.gz MEOINKDEMVXPOR-UHFFFAOYSA-N -1 1 386.473 3.833 20 30 GHEDMM COc1cc(Br)c(/C=C2/Cc3cc([O-])ccc3C2=O)c(OC)c1 ZINC000780187596 923636921 /nfs/dbraw/zinc/63/69/21/923636921.db2.gz XNTHECIGFDAVBF-XFFZJAGNSA-N -1 1 375.218 3.994 20 30 GHEDMM CCc1cc(N=NC(C)c2ccc([O-])c([N+](=O)[O-])c2)nc(-c2ccccn2)n1 ZINC000749607842 927211519 /nfs/dbraw/zinc/21/15/19/927211519.db2.gz CHLJQGYOZWZYLW-UHFFFAOYSA-N -1 1 378.392 3.551 20 30 GHEDMM COc1ccc([O-])c(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)c1 ZINC000757467746 929712548 /nfs/dbraw/zinc/71/25/48/929712548.db2.gz JKCJDHYNAPUNMF-SOFGYWHQSA-N -1 1 390.439 3.682 20 30 GHEDMM Cc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(Br)c2)c(O)c1 ZINC000757475070 929713909 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CCOC(=O)C1=C(NC(=O)c2ccc(C)c(C#N)c2)[N-]c2ccccc2N=C1C ZINC000799295646 932942269 /nfs/dbraw/zinc/94/22/69/932942269.db2.gz UHRSJQFJRYCELN-UHFFFAOYSA-N -1 1 388.427 3.589 20 30 GHEDMM Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1C#N ZINC000799410683 932992760 /nfs/dbraw/zinc/99/27/60/932992760.db2.gz ZLERPRUXMRSBKO-UHFFFAOYSA-N -1 1 391.452 3.920 20 30 GHEDMM CCc1nc(C)c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000560348433 933215309 /nfs/dbraw/zinc/21/53/09/933215309.db2.gz BYWYTROTCFHPDM-LLVKDONJSA-N -1 1 382.445 3.625 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(OCC#N)cc2)c([O-])c1 ZINC001116446856 933564459 /nfs/dbraw/zinc/56/44/59/933564459.db2.gz LGUKAWPAIVUKEO-UHFFFAOYSA-N -1 1 383.404 3.894 20 30 GHEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001116450581 933567315 /nfs/dbraw/zinc/56/73/15/933567315.db2.gz NKYXMRRVSNYZLM-UHFFFAOYSA-N -1 1 377.279 3.729 20 30 GHEDMM C=CCn1c([C@@H]2OCC[C@@H]2C)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000562031248 934646642 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XGFDAAIDUIKGMW-UHFFFAOYSA-N -1 1 398.465 3.874 20 30 GHEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2coc3cc(F)ccc23)C1=O ZINC000793985509 882521616 /nfs/dbraw/zinc/52/16/16/882521616.db2.gz CDEPCCFIFAZDBH-HXUWFJFHSA-N -1 1 389.427 3.888 20 30 GHEDMM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccc2c(Cl)c[nH]c(=O)c2c1 ZINC001194371537 871642757 /nfs/dbraw/zinc/64/27/57/871642757.db2.gz GMANJIZAFCZEEJ-UHFFFAOYSA-N -1 1 387.848 3.883 20 30 GHEDMM COc1ccc(OC(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1 ZINC001194506102 871755129 /nfs/dbraw/zinc/75/51/29/871755129.db2.gz VDXJVDFZXHNOMA-RGVLZGJSSA-N -1 1 396.428 3.841 20 30 GHEDMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443400633 872087095 /nfs/dbraw/zinc/08/70/95/872087095.db2.gz ROMAUPNWPQKGQO-UHFFFAOYSA-N -1 1 384.379 3.914 20 30 GHEDMM CCC(C#N)(CC)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195451814 872397306 /nfs/dbraw/zinc/39/73/06/872397306.db2.gz IJRQIIYPTLKIRH-UHFFFAOYSA-N -1 1 383.670 3.602 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c(F)c1F ZINC001195489903 872440604 /nfs/dbraw/zinc/44/06/04/872440604.db2.gz GQEABCZAAFECBK-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Br ZINC000619463863 872659971 /nfs/dbraw/zinc/65/99/71/872659971.db2.gz PDRNPOBJPQISLU-UHFFFAOYSA-N -1 1 379.279 3.933 20 30 GHEDMM CCc1cc2ncc(NC(=O)c3cc([O-])cc(-c4cccc(C#N)c4)c3)cn2n1 ZINC001196309106 873001383 /nfs/dbraw/zinc/00/13/83/873001383.db2.gz LYXAYNRHIOBOCS-UHFFFAOYSA-N -1 1 383.411 3.788 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3nc4n[nH]cc4c(Cl)n3)c2)c1 ZINC001196309023 873001668 /nfs/dbraw/zinc/00/16/68/873001668.db2.gz JCKYVMYLWVWOMG-UHFFFAOYSA-N -1 1 390.790 3.503 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cccc(-n4nccn4)c3)c2)c1 ZINC001196319346 873028719 /nfs/dbraw/zinc/02/87/19/873028719.db2.gz SDNIIWORBJDSRH-UHFFFAOYSA-N -1 1 381.395 3.764 20 30 GHEDMM COc1cc(Br)c([O-])c(NC(=S)Nc2ccccc2C#N)c1 ZINC001196320507 873031185 /nfs/dbraw/zinc/03/11/85/873031185.db2.gz SPIQYDVLCKKXJR-UHFFFAOYSA-N -1 1 378.251 3.844 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N[C@@H]3CCc4ccc(O)cc4C3)c2)c1 ZINC001196330251 873035615 /nfs/dbraw/zinc/03/56/15/873035615.db2.gz MUYHIFNUIGNHJS-OAQYLSRUSA-N -1 1 384.435 3.924 20 30 GHEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC001196679766 873280261 /nfs/dbraw/zinc/28/02/61/873280261.db2.gz KRFBQPRYBWJBGM-UHFFFAOYSA-N -1 1 385.257 3.671 20 30 GHEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cccc3c(C#N)cccc23)c1 ZINC001197110743 873605784 /nfs/dbraw/zinc/60/57/84/873605784.db2.gz VFNCTQDLTVQYLT-VAWYXSNFSA-N -1 1 392.436 3.698 20 30 GHEDMM Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001197311941 873700602 /nfs/dbraw/zinc/70/06/02/873700602.db2.gz PCPFWLXTDDFRPP-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM N#Cc1ccc(-c2ccc(C(=O)Nc3nc(Br)ccc3[O-])o2)cc1 ZINC001197387264 873759061 /nfs/dbraw/zinc/75/90/61/873759061.db2.gz SMFJZGJCVVTZHX-UHFFFAOYSA-N -1 1 384.189 3.934 20 30 GHEDMM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464424562 873854012 /nfs/dbraw/zinc/85/40/12/873854012.db2.gz YAYQRHVQTZFFNF-LLVKDONJSA-N -1 1 376.260 3.739 20 30 GHEDMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1Cl ZINC001198707954 874599661 /nfs/dbraw/zinc/59/96/61/874599661.db2.gz XFBNXYFCIHKTMP-UHFFFAOYSA-N -1 1 392.651 3.723 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C#N)C(C)C)cc2)ccc1F ZINC000121548354 875194476 /nfs/dbraw/zinc/19/44/76/875194476.db2.gz MIIUCFASMTXHHM-GOSISDBHSA-N -1 1 390.436 3.640 20 30 GHEDMM CN(CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000772637294 876043867 /nfs/dbraw/zinc/04/38/67/876043867.db2.gz MHHNJPXKCLBXIH-HNNXBMFYSA-N -1 1 392.484 3.588 20 30 GHEDMM N#C[C@H](C(=O)C=C1CCSCC1)c1nc(=O)c2c([n-]1)sc1c2CCCC1 ZINC000772636664 876045132 /nfs/dbraw/zinc/04/51/32/876045132.db2.gz HGZSEBJLBCJKJD-CYBMUJFWSA-N -1 1 385.514 3.905 20 30 GHEDMM C#CCOc1ccccc1CNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001202397693 876199147 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GHEDMM COc1ccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(F)cc2)cc1 ZINC000190997568 883566257 /nfs/dbraw/zinc/56/62/57/883566257.db2.gz KTFOMEDKURXLKN-NRFANRHFSA-N -1 1 376.387 3.931 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000475803967 884008098 /nfs/dbraw/zinc/00/80/98/884008098.db2.gz AKNDMAFBRCODNO-UHFFFAOYSA-N -1 1 397.481 3.867 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000475815336 884203362 /nfs/dbraw/zinc/20/33/62/884203362.db2.gz SCLFROQDIMAVGW-UHFFFAOYSA-N -1 1 385.470 3.589 20 30 GHEDMM C=C(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000476202502 884265483 /nfs/dbraw/zinc/26/54/83/884265483.db2.gz IAJOOSFIWYSQFI-INIZCTEOSA-N -1 1 384.354 3.710 20 30 GHEDMM N#Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000194858718 885177879 /nfs/dbraw/zinc/17/78/79/885177879.db2.gz YQGPVKFXZZGUPG-UHFFFAOYSA-N -1 1 391.452 3.540 20 30 GHEDMM C=C[C@H](CC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC000807707876 885624640 /nfs/dbraw/zinc/62/46/40/885624640.db2.gz CMPNTDGVJRMGNR-AFIMGQEJSA-N -1 1 382.426 3.650 20 30 GHEDMM C#C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C(C)(C)C ZINC000807883401 885809952 /nfs/dbraw/zinc/80/99/52/885809952.db2.gz AHGYDVUFCWHHHY-IBGZPJMESA-N -1 1 384.501 3.574 20 30 GHEDMM Cc1cccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1C ZINC000153570596 886365872 /nfs/dbraw/zinc/36/58/72/886365872.db2.gz MGIKPAWDOZMWJW-AWEZNQCLSA-N -1 1 392.484 3.726 20 30 GHEDMM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000496353967 888730182 /nfs/dbraw/zinc/73/01/82/888730182.db2.gz CAORYNMMYDRGAL-CYBMUJFWSA-N -1 1 397.385 3.911 20 30 GHEDMM CCCCSCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000916846713 890287792 /nfs/dbraw/zinc/28/77/92/890287792.db2.gz CNKRSWSOPPCPQS-GFCCVEGCSA-N -1 1 375.519 3.985 20 30 GHEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C=C(c1ccc(Cl)cc1)C(F)(F)F ZINC000123377117 890568148 /nfs/dbraw/zinc/56/81/48/890568148.db2.gz CBIULSJUPLFCJX-OEMOTLHWSA-N -1 1 381.741 3.611 20 30 GHEDMM C#CCO[N-]C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)[C@H](F)C(F)(F)F)(C3)C2 ZINC000812782300 890962423 /nfs/dbraw/zinc/96/24/23/890962423.db2.gz QEYZKTFVFSCJDU-GNVUBMPBSA-N -1 1 383.332 3.790 20 30 GHEDMM Cc1cc(C#N)ccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000129330601 893250496 /nfs/dbraw/zinc/25/04/96/893250496.db2.gz MKSIDLAURUIFFH-HNNXBMFYSA-N -1 1 388.452 3.534 20 30 GHEDMM CCOCCON=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814907317 893269541 /nfs/dbraw/zinc/26/95/41/893269541.db2.gz DCRXFPVFTTWWED-UHFFFAOYSA-N -1 1 376.478 3.573 20 30 GHEDMM O=C1Nc2ccc(-c3ccccc3)cc2C1=NN=c1[n-]c(-c2cccnc2)no1 ZINC000814947608 893294854 /nfs/dbraw/zinc/29/48/54/893294854.db2.gz AGQXJAQAZNRNHY-UHFFFAOYSA-N -1 1 382.383 3.567 20 30 GHEDMM O=C1Nc2ccc(-c3ccccc3)cc2C1=NN=c1nc(-c2cccnc2)[n-]o1 ZINC000814947608 893294863 /nfs/dbraw/zinc/29/48/63/893294863.db2.gz AGQXJAQAZNRNHY-UHFFFAOYSA-N -1 1 382.383 3.567 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c(F)c1 ZINC000536657871 893443700 /nfs/dbraw/zinc/44/37/00/893443700.db2.gz AVGNUICQALGVEQ-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM C=CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000536820722 893888874 /nfs/dbraw/zinc/88/88/74/893888874.db2.gz IXZZIMRIEDEVQU-UHFFFAOYSA-N -1 1 392.427 3.556 20 30 GHEDMM C=CCC(F)(F)C(=O)[N-][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000815976769 894348557 /nfs/dbraw/zinc/34/85/57/894348557.db2.gz WBZCZNQWEXJSOE-CQSZACIVSA-N -1 1 390.352 3.524 20 30 GHEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1scnc1C1CC1 ZINC001185673141 914033892 /nfs/dbraw/zinc/03/38/92/914033892.db2.gz ISHBFEHVDWTGAC-UFWORHAWSA-N -1 1 397.485 3.808 20 30 GHEDMM COc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000778520016 896150134 /nfs/dbraw/zinc/15/01/34/896150134.db2.gz WCQWDDPMPGIPGV-RQOWECAXSA-N -1 1 395.314 3.555 20 30 GHEDMM Cc1cc(C)n(Cc2ccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cc2)n1 ZINC000429559818 898250468 /nfs/dbraw/zinc/25/04/68/898250468.db2.gz 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395.815 3.726 20 30 GHEDMM C=CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccc(F)cc1 ZINC000735449525 598235578 /nfs/dbraw/zinc/23/55/78/598235578.db2.gz QIUYKHMAXSCOQQ-UHFFFAOYSA-N -1 1 397.414 3.741 20 30 GHEDMM C=CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccc(F)cc1 ZINC000735449525 598235579 /nfs/dbraw/zinc/23/55/79/598235579.db2.gz QIUYKHMAXSCOQQ-UHFFFAOYSA-N -1 1 397.414 3.741 20 30 GHEDMM CC(=NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000735451261 598512410 /nfs/dbraw/zinc/51/24/10/598512410.db2.gz VSLNKXLTBGCBRR-UHFFFAOYSA-N -1 1 380.305 3.566 20 30 GHEDMM C=CC1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1 ZINC000735402499 598666191 /nfs/dbraw/zinc/66/61/91/598666191.db2.gz CQUQBNIYJANCQI-UHFFFAOYSA-N -1 1 393.422 3.836 20 30 GHEDMM C=CC1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nn[n-]n3)cc2)CC1 ZINC000735402499 598666192 /nfs/dbraw/zinc/66/61/92/598666192.db2.gz CQUQBNIYJANCQI-UHFFFAOYSA-N -1 1 393.422 3.836 20 30 GHEDMM N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 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GHEDMM C=CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000472702963 839193160 /nfs/dbraw/zinc/19/31/60/839193160.db2.gz KZJBVULBHBQXRU-UHFFFAOYSA-N -1 1 376.453 3.713 20 30 GHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000416962025 840311146 /nfs/dbraw/zinc/31/11/46/840311146.db2.gz QCMBAEANRZWYJK-NSHDSACASA-N -1 1 375.397 3.873 20 30 GHEDMM CC[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000175997383 841227593 /nfs/dbraw/zinc/22/75/93/841227593.db2.gz IYYKLAKJUPDOMQ-ZDUSSCGKSA-N -1 1 396.827 3.739 20 30 GHEDMM N#CC1(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)CCC1 ZINC000134476970 841361307 /nfs/dbraw/zinc/36/13/07/841361307.db2.gz WRYOZNSJSROWIL-UHFFFAOYSA-N -1 1 389.864 3.773 20 30 GHEDMM Cc1ccc(C#N)c(NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)n1 ZINC000500268283 841795848 /nfs/dbraw/zinc/79/58/48/841795848.db2.gz QVMVLPRVCVFMNE-UHFFFAOYSA-N -1 1 396.447 3.814 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000549549435 841909918 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389.249 3.711 20 30 GHEDMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@@H](NCc1cccc(C#N)c1)C(=O)[O-] ZINC000426790715 852400392 /nfs/dbraw/zinc/40/03/92/852400392.db2.gz FJJAOFGXNJPNOQ-HXUWFJFHSA-N -1 1 394.862 3.930 20 30 GHEDMM C=C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000517800212 852440043 /nfs/dbraw/zinc/44/00/43/852440043.db2.gz VYYMGADMRMAAKK-UHFFFAOYSA-N -1 1 388.464 3.727 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)cc1F ZINC000489649634 852508728 /nfs/dbraw/zinc/50/87/28/852508728.db2.gz NQKXMYHUJQBOBV-CQSZACIVSA-N -1 1 394.296 3.557 20 30 GHEDMM Cc1ncc(S(=O)(=O)[N-]c2c(F)cccc2Oc2ccccc2)cc1C#N ZINC000427194368 852844013 /nfs/dbraw/zinc/84/40/13/852844013.db2.gz ZLCGRLGAEKAXPE-UHFFFAOYSA-N -1 1 383.404 3.994 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000438799732 852859878 /nfs/dbraw/zinc/85/98/78/852859878.db2.gz ZBJKWSRVLQPJLD-UHFFFAOYSA-N -1 1 386.242 3.954 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)cc1 ZINC000481859420 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20 30 GHEDMM Cn1c(Cl)cnc1C(C#N)=C([O-])c1nn(-c2ccccc2F)c2c1CCCC2 ZINC001344863540 1054776090 /nfs/dbraw/zinc/77/60/90/1054776090.db2.gz ILXCBDLYOQEYTN-ZDUSSCGKSA-N -1 1 397.841 3.767 20 30 GHEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)cc1 ZINC001323425651 1056968029 /nfs/dbraw/zinc/96/80/29/1056968029.db2.gz YVASQFSMXJVBPS-UHFFFAOYSA-N -1 1 387.205 3.594 20 30 GHEDMM C=CCn1c([C@@H](CC)OCC)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001338858313 1058837298 /nfs/dbraw/zinc/83/72/98/1058837298.db2.gz YLTKWNOHKJSZQW-LJQANCHMSA-N -1 1 398.507 3.757 20 30 GHEDMM Cc1nc(SCC(=O)NCc2ccc([O-])c(Cl)c2)c(C#N)c(C)c1C ZINC001455442787 1062147698 /nfs/dbraw/zinc/14/76/98/1062147698.db2.gz XPKKPWCTARSESU-UHFFFAOYSA-N -1 1 375.881 3.646 20 30 GHEDMM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2CC1CC1)c1nc(C2CC2)cs1 ZINC001348669623 1063270199 /nfs/dbraw/zinc/27/01/99/1063270199.db2.gz MNVTXWAUMBXMGQ-AWEZNQCLSA-N -1 1 378.457 3.976 20 30 GHEDMM C#C[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1ccc(Br)cc1 ZINC001436650869 1063595513 /nfs/dbraw/zinc/59/55/13/1063595513.db2.gz GOAXFMZXVUBJJQ-AWEZNQCLSA-N -1 1 379.204 3.735 20 30 GHEDMM O=C(NCCc1c(F)cc([O-])cc1F)Nc1cccc(C#Cc2ccccn2)c1 ZINC001200080568 1065152844 /nfs/dbraw/zinc/15/28/44/1065152844.db2.gz JRWFPPDTYFBSHP-UHFFFAOYSA-N -1 1 393.393 3.829 20 30 GHEDMM C=CCCC[C@H](NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001471203297 1072965135 /nfs/dbraw/zinc/96/51/35/1072965135.db2.gz KOCLOPLSXWQZSL-QFBILLFUSA-N -1 1 397.441 3.937 20 30 GHEDMM C=CCCC[C@@H](NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001471203293 1072965244 /nfs/dbraw/zinc/96/52/44/1072965244.db2.gz KOCLOPLSXWQZSL-APWZRJJASA-N -1 1 397.441 3.937 20 30 GHEDMM C=CCCC[C@H](NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001471203295 1072965340 /nfs/dbraw/zinc/96/53/40/1072965340.db2.gz KOCLOPLSXWQZSL-LPHOPBHVSA-N -1 1 397.441 3.937 20 30 GHEDMM C=CC[C@H]1CCN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001472260866 1073387499 /nfs/dbraw/zinc/38/74/99/1073387499.db2.gz BTXXFURCVYERLE-IBGZPJMESA-N -1 1 384.501 3.895 20 30 GHEDMM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001475080572 1074728613 /nfs/dbraw/zinc/72/86/13/1074728613.db2.gz CEVDZLOAISGQKY-AWEZNQCLSA-N -1 1 389.290 3.707 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(F)cc2F)c(Cl)c1 ZINC001475650286 1074993058 /nfs/dbraw/zinc/99/30/58/1074993058.db2.gz YSGMWZRYAIPQJZ-UHFFFAOYSA-N -1 1 392.761 3.560 20 30 GHEDMM C=CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccoc1C ZINC000735450512 598235698 /nfs/dbraw/zinc/23/56/98/598235698.db2.gz ZMYLCLBDEOYIHF-UHFFFAOYSA-N -1 1 383.412 3.503 20 30 GHEDMM C=CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccoc1C ZINC000735450512 598235699 /nfs/dbraw/zinc/23/56/99/598235699.db2.gz ZMYLCLBDEOYIHF-UHFFFAOYSA-N -1 1 383.412 3.503 20 30 GHEDMM COc1ccc2oc(C(C)N=Nc3oc(C(C)C)nc3-c3nn[n-]n3)c(C)c2c1 ZINC000737121021 598787888 /nfs/dbraw/zinc/78/78/88/598787888.db2.gz VTQYJSXSSROXJG-UHFFFAOYSA-N -1 1 395.423 3.877 20 30 GHEDMM N#CCCSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000739075170 599839558 /nfs/dbraw/zinc/83/95/58/599839558.db2.gz ANLUCLTXWCZCTK-UHFFFAOYSA-N -1 1 396.877 3.845 20 30 GHEDMM C[C@](NCc1ccc(C#N)cc1F)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663647 600078485 /nfs/dbraw/zinc/07/84/85/600078485.db2.gz DMSVLFIYNZLDIQ-QGZVFWFLSA-N -1 1 377.213 3.549 20 30 GHEDMM COc1ccc(Br)cc1CN(C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737920934 600562407 /nfs/dbraw/zinc/56/24/07/600562407.db2.gz UCEYZSHLZFDQFP-KRWDZBQOSA-N -1 1 389.249 3.587 20 30 GHEDMM COc1cccc(Oc2ccc(CN[C@H](C(=O)[O-])c3cccc(C#N)c3)cn2)c1 ZINC000832572629 601302090 /nfs/dbraw/zinc/30/20/90/601302090.db2.gz GRCPMXYHNVKVNI-NRFANRHFSA-N -1 1 389.411 3.670 20 30 GHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCSc3ccc(Cl)cc32)o1 ZINC000822424523 606238396 /nfs/dbraw/zinc/23/83/96/606238396.db2.gz WTIPWRFZJFFWRI-UHFFFAOYSA-N -1 1 375.845 3.519 20 30 GHEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CCC1=Cc1cccc([N+](=O)[O-])c1 ZINC000823505142 606389652 /nfs/dbraw/zinc/38/96/52/606389652.db2.gz XVCNIZYAARGHIW-LSCZQMSZSA-N -1 1 379.401 3.666 20 30 GHEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)nnc1-c1ccccc1 ZINC000819765714 606443909 /nfs/dbraw/zinc/44/39/09/606443909.db2.gz QOGNTIIJYJOYDG-UHFFFAOYSA-N -1 1 396.867 3.511 20 30 GHEDMM C=CCn1c(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)nnc1-c1ccccc1 ZINC000819765714 606443910 /nfs/dbraw/zinc/44/39/10/606443910.db2.gz QOGNTIIJYJOYDG-UHFFFAOYSA-N -1 1 396.867 3.511 20 30 GHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(Cl)c(N)c(Cl)c2)o1 ZINC000823962252 607843204 /nfs/dbraw/zinc/84/32/04/607843204.db2.gz IJFGNBCMYAXNBW-UHFFFAOYSA-N -1 1 395.254 3.703 20 30 GHEDMM C=C(C)[C@H](CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)OCC ZINC000823874005 607903752 /nfs/dbraw/zinc/90/37/52/607903752.db2.gz QXRBJUUFUZPCCR-INIZCTEOSA-N -1 1 397.504 3.583 20 30 GHEDMM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400596 608093680 /nfs/dbraw/zinc/09/36/80/608093680.db2.gz CBNZRCHALWUTRA-PLNGDYQASA-N -1 1 380.351 3.765 20 30 GHEDMM O=C(C=Cc1cccc(OCC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400596 608093681 /nfs/dbraw/zinc/09/36/81/608093681.db2.gz CBNZRCHALWUTRA-PLNGDYQASA-N -1 1 380.351 3.765 20 30 GHEDMM Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826331450 608094977 /nfs/dbraw/zinc/09/49/77/608094977.db2.gz IRJWSOMOGIKAQO-FPLPWBNLSA-N -1 1 394.435 3.766 20 30 GHEDMM Cc1nn(-c2ccc(F)cc2)c(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826331450 608094978 /nfs/dbraw/zinc/09/49/78/608094978.db2.gz IRJWSOMOGIKAQO-FPLPWBNLSA-N -1 1 394.435 3.766 20 30 GHEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000176636987 837473894 /nfs/dbraw/zinc/47/38/94/837473894.db2.gz WJHOUNFPOTUGSF-UHFFFAOYSA-N -1 1 381.457 3.948 20 30 GHEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000510032518 834392557 /nfs/dbraw/zinc/39/25/57/834392557.db2.gz BTCLMDHWUCBNLJ-SNVBAGLBSA-N -1 1 380.293 3.803 20 30 GHEDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1F ZINC000187070200 834999997 /nfs/dbraw/zinc/99/99/97/834999997.db2.gz RVDAJQFURUAAHL-UHFFFAOYSA-N -1 1 399.241 3.578 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c(=O)o1 ZINC000254944557 835341541 /nfs/dbraw/zinc/34/15/41/835341541.db2.gz BJIZYGRWNXRKOV-POZKEBTKSA-N -1 1 383.381 3.552 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cc1Cl ZINC000168733094 835558316 /nfs/dbraw/zinc/55/83/16/835558316.db2.gz KYUVQHDEEICXOI-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM C[C@H](Oc1ccccc1)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362726 844193824 /nfs/dbraw/zinc/19/38/24/844193824.db2.gz HIJUFDAPWGYPEM-WFASDCNBSA-N -1 1 393.468 3.507 20 30 GHEDMM C[C@]1(C#N)CCCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1 ZINC000612835149 836851366 /nfs/dbraw/zinc/85/13/66/836851366.db2.gz JKSKMNBDXSPLFL-HXUWFJFHSA-N -1 1 398.488 3.645 20 30 GHEDMM CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190034101 838626572 /nfs/dbraw/zinc/62/65/72/838626572.db2.gz UYESZDFEGHUQQU-UHFFFAOYSA-N -1 1 392.242 3.671 20 30 GHEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000473409922 844359469 /nfs/dbraw/zinc/35/94/69/844359469.db2.gz QQLZSJVWLJFSNT-UHFFFAOYSA-N -1 1 386.473 3.774 20 30 GHEDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)CC(F)(F)F ZINC000416597274 839476432 /nfs/dbraw/zinc/47/64/32/839476432.db2.gz GDCHCQLZCVKUHF-SSDOTTSWSA-N -1 1 383.285 3.591 20 30 GHEDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000433510269 844514257 /nfs/dbraw/zinc/51/42/57/844514257.db2.gz MVUNNQZFVSBHSK-UHFFFAOYSA-N -1 1 384.379 3.863 20 30 GHEDMM Cc1nc(Cc2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125258197 841371763 /nfs/dbraw/zinc/37/17/63/841371763.db2.gz LYEJLMGYNWVSTD-HNNXBMFYSA-N -1 1 394.431 3.538 20 30 GHEDMM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCO4)c2)cc1 ZINC000477215881 841919153 /nfs/dbraw/zinc/91/91/53/841919153.db2.gz BGOVGRUYSBWKJN-UHFFFAOYSA-N -1 1 394.408 3.880 20 30 GHEDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000471922121 843530258 /nfs/dbraw/zinc/53/02/58/843530258.db2.gz YANHCSFTLANDBN-UHFFFAOYSA-N -1 1 390.436 3.523 20 30 GHEDMM CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C1 ZINC000512939199 844008820 /nfs/dbraw/zinc/00/88/20/844008820.db2.gz BHFWOLXWXREADI-UHFFFAOYSA-N -1 1 389.908 3.984 20 30 GHEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000603987138 861510171 /nfs/dbraw/zinc/51/01/71/861510171.db2.gz KIWMVWJCVXRAKT-UHFFFAOYSA-N -1 1 399.255 3.843 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2Br)cc1[O-] ZINC000421915697 846661004 /nfs/dbraw/zinc/66/10/04/846661004.db2.gz IHYXSZYYUCTNJK-INIZCTEOSA-N -1 1 385.261 3.874 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)nc1n2CCCCC1 ZINC000435196882 850211958 /nfs/dbraw/zinc/21/19/58/850211958.db2.gz HBNUBHQCEILGGJ-UHFFFAOYSA-N -1 1 380.473 3.744 20 30 GHEDMM C=CCOc1c(Br)cc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc1OC ZINC000424415537 850447407 /nfs/dbraw/zinc/44/74/07/850447407.db2.gz ITXVOTXJBJSNQE-LRDDRELGSA-N -1 1 398.297 3.708 20 30 GHEDMM 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GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)cc1Cl ZINC000610955075 844908579 /nfs/dbraw/zinc/90/85/79/844908579.db2.gz PJJCDWHBUGTBGQ-UHFFFAOYSA-N -1 1 382.779 3.757 20 30 GHEDMM CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)cc1 ZINC000614293747 845557047 /nfs/dbraw/zinc/55/70/47/845557047.db2.gz YDPXFQJWRUEHEG-UHFFFAOYSA-N -1 1 378.413 3.598 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)ccc1Cl ZINC000731783112 861891981 /nfs/dbraw/zinc/89/19/81/861891981.db2.gz NWMHTDWNGDZDKR-UHFFFAOYSA-N -1 1 397.834 3.891 20 30 GHEDMM Cc1cc(C)cc(NC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000121989372 848684535 /nfs/dbraw/zinc/68/45/35/848684535.db2.gz JSVQYTYNJISIGK-HNNXBMFYSA-N -1 1 392.484 3.726 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1C(F)(F)F ZINC000480130039 848973038 /nfs/dbraw/zinc/97/30/38/848973038.db2.gz FXYOTIUBYADYQD-UHFFFAOYSA-N -1 1 377.347 3.926 20 30 GHEDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000504052699 849867164 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GHEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1OCC(F)(F)F ZINC000055595698 854015451 /nfs/dbraw/zinc/01/54/51/854015451.db2.gz LHQWFCQBAZUWAI-UHFFFAOYSA-N -1 1 392.305 3.578 20 30 GHEDMM COC(=O)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(C(C)(C)C)cc1 ZINC000589183802 854735951 /nfs/dbraw/zinc/73/59/51/854735951.db2.gz QKOROQBIVRIXPG-IBGZPJMESA-N -1 1 380.444 3.596 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000055619849 855360798 /nfs/dbraw/zinc/36/07/98/855360798.db2.gz LBFFSOIKQRCGSG-UHFFFAOYSA-N -1 1 377.425 3.611 20 30 GHEDMM CC#CCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000466610086 862749647 /nfs/dbraw/zinc/74/96/47/862749647.db2.gz KZJVZZNGZSLKKD-UHFFFAOYSA-N -1 1 392.427 3.898 20 30 GHEDMM C[C@@H]1CCc2sc([N-]C(=O)c3nnn(C)c3C(F)(F)F)c(C#N)c2[C@@H]1C ZINC000905823636 856635858 /nfs/dbraw/zinc/63/58/58/856635858.db2.gz HZRLWJJHDVLECU-HTQZYQBOSA-N -1 1 383.399 3.705 20 30 GHEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000507982592 856768480 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GHEDMM C=CCC[C@H](C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000188975873 881363872 /nfs/dbraw/zinc/36/38/72/881363872.db2.gz VCJUBGSLOSOOCG-KRWDZBQOSA-N -1 1 388.489 3.755 20 30 GHEDMM C=CC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000116854890 859195092 /nfs/dbraw/zinc/19/50/92/859195092.db2.gz WRNKPQOMLOONCC-AWEZNQCLSA-N -1 1 376.453 3.629 20 30 GHEDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc2)n1 ZINC000611537951 859800193 /nfs/dbraw/zinc/80/01/93/859800193.db2.gz LWZFPFQQEKXFJC-UHFFFAOYSA-N -1 1 386.864 3.815 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N([C@@H](C)C#N)C3CC3)ccc2C)c1 ZINC000598122432 860047386 /nfs/dbraw/zinc/04/73/86/860047386.db2.gz AZMLAVOKMONXIY-INIZCTEOSA-N -1 1 397.500 3.621 20 30 GHEDMM N#CCSc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765728916 860491317 /nfs/dbraw/zinc/49/13/17/860491317.db2.gz WWJGNMUGUGIXMM-UHFFFAOYSA-N -1 1 377.263 3.700 20 30 GHEDMM CN(C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-])C1(C#N)CCCCC1 ZINC000730360459 861058817 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20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C(F)(F)F ZINC000479166686 867269522 /nfs/dbraw/zinc/26/95/22/867269522.db2.gz VTDUARMXXGRVFM-UHFFFAOYSA-N -1 1 383.376 3.988 20 30 GHEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000553414134 867374777 /nfs/dbraw/zinc/37/47/77/867374777.db2.gz JKOQREDAPIXGGC-UHFFFAOYSA-N -1 1 386.835 3.898 20 30 GHEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1OC1CCCC1 ZINC000793359872 882123365 /nfs/dbraw/zinc/12/33/65/882123365.db2.gz YDGFHPRWOWDZQE-UHFFFAOYSA-N -1 1 390.436 3.828 20 30 GHEDMM CC[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000183949910 868759289 /nfs/dbraw/zinc/75/92/89/868759289.db2.gz YLGLFFBIOHZRHM-OAHLLOKOSA-N -1 1 391.880 3.563 20 30 GHEDMM N#Cc1ccc(C(=O)NCCCc2ccc(Br)cc2F)cc1[O-] ZINC000442965565 869154329 /nfs/dbraw/zinc/15/43/29/869154329.db2.gz KFNDJOZCKNKXPJ-UHFFFAOYSA-N -1 1 377.213 3.528 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2cn3ccccc3n2)cc1 ZINC000524918055 869756835 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3.670 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Br)c2)ccc1Cl ZINC001193795666 871310532 /nfs/dbraw/zinc/31/05/32/871310532.db2.gz LSSTXAIQRQKJLH-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2coc3cc(F)ccc23)C1=O ZINC000793985507 882521415 /nfs/dbraw/zinc/52/14/15/882521415.db2.gz CDEPCCFIFAZDBH-FQEVSTJZSA-N -1 1 389.427 3.888 20 30 GHEDMM N#C[C@H](C(=O)CCc1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000069833459 871599917 /nfs/dbraw/zinc/59/99/17/871599917.db2.gz SRFJRECVEVZWIV-CYBMUJFWSA-N -1 1 383.498 3.734 20 30 GHEDMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc21 ZINC000443404210 872076866 /nfs/dbraw/zinc/07/68/66/872076866.db2.gz FANZKRYUEBIJQT-UHFFFAOYSA-N -1 1 379.363 3.870 20 30 GHEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1C ZINC000443404766 872265889 /nfs/dbraw/zinc/26/58/89/872265889.db2.gz HLYOBOOWZYFYSI-UHFFFAOYSA-N -1 1 382.363 3.889 20 30 GHEDMM O=C([N-]C[C@@H]1Cc2ccccc2N1CC#Cc1ccc(Cl)cc1)C(F)(F)F ZINC001195298929 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/nfs/dbraw/zinc/59/66/38/600596638.db2.gz ABCXWRRZWXLMFC-FQEVSTJZSA-N -1 1 377.375 3.800 20 30 GHEDMM CN(Cc1cc(Br)ccc1F)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830806282 601312542 /nfs/dbraw/zinc/31/25/42/601312542.db2.gz JZTNPWBQIQGSMR-MRXNPFEDSA-N -1 1 377.213 3.718 20 30 GHEDMM N#Cc1cccc([C@H](C(=O)[O-])N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c1 ZINC000833073763 601313258 /nfs/dbraw/zinc/31/32/58/601313258.db2.gz HOVZJGVVAJYWHX-RWMBFGLXSA-N -1 1 380.288 3.747 20 30 GHEDMM N#CC(C(=O)Cc1ccccc1NC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000833961231 606091981 /nfs/dbraw/zinc/09/19/81/606091981.db2.gz PRLXSSAETOCCDS-GFCCVEGCSA-N -1 1 384.342 3.940 20 30 GHEDMM N#Cc1ccc(C=C2CSCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825678 606389536 /nfs/dbraw/zinc/38/95/36/606389536.db2.gz LEZRMSNHSZWMFF-JZKFVHIFSA-N -1 1 397.510 3.644 20 30 GHEDMM CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823963125 608091583 /nfs/dbraw/zinc/09/15/83/608091583.db2.gz VYFMRNSAAFEOAO-UHFFFAOYSA-N -1 1 387.778 3.832 20 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836030998 /nfs/dbraw/zinc/03/09/98/836030998.db2.gz PDUUBOKGIZTULE-FQEVSTJZSA-N -1 1 399.406 4.000 20 30 GHEDMM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1-n1cncn1 ZINC000174103903 836392927 /nfs/dbraw/zinc/39/29/27/836392927.db2.gz TVMKDZKBGJYPDD-MRXNPFEDSA-N -1 1 386.440 3.584 20 30 GHEDMM C[C@H](Oc1ccccc1)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362722 844193609 /nfs/dbraw/zinc/19/36/09/844193609.db2.gz HIJUFDAPWGYPEM-SWLSCSKDSA-N -1 1 393.468 3.507 20 30 GHEDMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1F ZINC000177621577 838037410 /nfs/dbraw/zinc/03/74/10/838037410.db2.gz HYFYNDBABXQBBQ-UHFFFAOYSA-N -1 1 392.305 3.665 20 30 GHEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc(-c2ccccc2)cs1 ZINC000041522750 838652062 /nfs/dbraw/zinc/65/20/62/838652062.db2.gz UHBMJGWMGWPRMY-AWEZNQCLSA-N -1 1 375.409 3.631 20 30 GHEDMM C=CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000472702228 839196846 /nfs/dbraw/zinc/19/68/46/839196846.db2.gz VOYISFRDHXULMN-UHFFFAOYSA-N -1 1 376.453 3.713 20 30 GHEDMM CSc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000647181135 842229225 /nfs/dbraw/zinc/22/92/25/842229225.db2.gz LDCDGQCDIISKII-NSHDSACASA-N -1 1 396.497 3.883 20 30 GHEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)CC#N)c2)cc1 ZINC000512108400 842522654 /nfs/dbraw/zinc/52/26/54/842522654.db2.gz VWEBTLIRRSUZOP-INIZCTEOSA-N -1 1 399.516 3.862 20 30 GHEDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1 ZINC000432768454 843759735 /nfs/dbraw/zinc/75/97/35/843759735.db2.gz OXVAKGJWUUTGGP-SNVBAGLBSA-N -1 1 397.298 3.748 20 30 GHEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)nc2)cc1 ZINC000603979272 861497654 /nfs/dbraw/zinc/49/76/54/861497654.db2.gz NZSLQJMSEOUXPH-UHFFFAOYSA-N -1 1 395.440 3.945 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc(N3CCCC3)sc2c1 ZINC000513374514 845333070 /nfs/dbraw/zinc/33/30/70/845333070.db2.gz ZMSIWGDIFIHJCF-UHFFFAOYSA-N -1 1 398.513 3.877 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1C(F)(F)F ZINC000161201815 846725200 /nfs/dbraw/zinc/72/52/00/846725200.db2.gz XVOAEMBEAFJILX-UHFFFAOYSA-N -1 1 388.342 3.726 20 30 GHEDMM O=C(CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N-]CC(F)(F)F ZINC000501297356 846812807 /nfs/dbraw/zinc/81/28/07/846812807.db2.gz DHNDWBUAFHJVJZ-UHFFFAOYSA-N -1 1 396.209 3.731 20 30 GHEDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)n[nH]1 ZINC000164035183 847121080 /nfs/dbraw/zinc/12/10/80/847121080.db2.gz DGJGMCADZFZFKU-UHFFFAOYSA-N -1 1 388.836 3.836 20 30 GHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)c1 ZINC000728507261 848122555 /nfs/dbraw/zinc/12/25/55/848122555.db2.gz PXVLFZQXAQDUIW-UHFFFAOYSA-N -1 1 393.436 3.758 20 30 GHEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000908651685 850248665 /nfs/dbraw/zinc/24/86/65/850248665.db2.gz GFPMFCOKBFQDRO-INIZCTEOSA-N -1 1 388.464 3.879 20 30 GHEDMM CC(C)N1CCC[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000909107216 850591251 /nfs/dbraw/zinc/59/12/51/850591251.db2.gz IWDSVTRNMUCCCH-OAQYLSRUSA-N -1 1 376.456 3.596 20 30 GHEDMM CSc1nc(C)c(CCC(=O)N[C@H](CCCC#N)c2ccccc2)c(=O)[n-]1 ZINC000487595128 850745259 /nfs/dbraw/zinc/74/52/59/850745259.db2.gz OPNMCBLMLTVJPT-QGZVFWFLSA-N -1 1 384.505 3.697 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)ccc1C#N ZINC000435757953 850852889 /nfs/dbraw/zinc/85/28/89/850852889.db2.gz DGIYWVCNLKVLIJ-UHFFFAOYSA-N -1 1 397.481 3.981 20 30 GHEDMM Cc1nc(CNCc2cccc(OCc3ccccc3C#N)c2)ccc1C(=O)[O-] ZINC000426636096 851066085 /nfs/dbraw/zinc/06/60/85/851066085.db2.gz DGUJWTNVRGCKGX-UHFFFAOYSA-N -1 1 387.439 3.829 20 30 GHEDMM C=CC1CCN(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000111851082 851943439 /nfs/dbraw/zinc/94/34/39/851943439.db2.gz NZXRBKCVQJPZHS-UHFFFAOYSA-N -1 1 399.516 3.595 20 30 GHEDMM C=CCn1cccc1-c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436877251 852442109 /nfs/dbraw/zinc/44/21/09/852442109.db2.gz FLJKRVUGQUOHLN-UHFFFAOYSA-N -1 1 376.210 3.868 20 30 GHEDMM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2O1 ZINC000507604651 853083152 /nfs/dbraw/zinc/08/31/52/853083152.db2.gz UYDHXESRDICUKV-UHFFFAOYSA-N -1 1 390.848 3.756 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc2)cc1C ZINC000427485831 853163721 /nfs/dbraw/zinc/16/37/21/853163721.db2.gz DJOFEQJAELWNHT-LJQANCHMSA-N -1 1 399.516 3.772 20 30 GHEDMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCCC1 ZINC000164124760 853755135 /nfs/dbraw/zinc/75/51/35/853755135.db2.gz XLKKXTCMWDJCCK-UHFFFAOYSA-N -1 1 382.485 3.505 20 30 GHEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000055595711 854014520 /nfs/dbraw/zinc/01/45/20/854014520.db2.gz JUDOILZCRNCFJO-UHFFFAOYSA-N -1 1 398.362 3.503 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000589176524 854717212 /nfs/dbraw/zinc/71/72/12/854717212.db2.gz IUZIYYBTWHAZOU-KRWDZBQOSA-N -1 1 377.227 3.784 20 30 GHEDMM C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589195109 854742456 /nfs/dbraw/zinc/74/24/56/854742456.db2.gz MOQDZTDARHUSCK-SNVBAGLBSA-N -1 1 377.213 3.526 20 30 GHEDMM CCOc1cc(-c2noc(-c3cccc(C#N)n3)n2)cc(Br)c1[O-] ZINC000589368511 854810768 /nfs/dbraw/zinc/81/07/68/854810768.db2.gz VMXQHQREGLUWOJ-UHFFFAOYSA-N -1 1 387.193 3.537 20 30 GHEDMM CCC(CC)C(=O)N1CCC(NC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000331248044 854832044 /nfs/dbraw/zinc/83/20/44/854832044.db2.gz WMWBASQOTPUPTF-UHFFFAOYSA-N -1 1 397.313 3.887 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Br)cc2)C2CCC2)o1 ZINC000553463590 855047538 /nfs/dbraw/zinc/04/75/38/855047538.db2.gz PWVCNFPXVMKJOB-MRXNPFEDSA-N -1 1 395.278 3.733 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)c1 ZINC000589592141 855074090 /nfs/dbraw/zinc/07/40/90/855074090.db2.gz RFOQLWUQNXKSHU-UHFFFAOYSA-N -1 1 392.484 3.753 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000055619848 855359887 /nfs/dbraw/zinc/35/98/87/855359887.db2.gz VZYDBXBHUWLXGJ-UHFFFAOYSA-N -1 1 377.425 3.611 20 30 GHEDMM Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000055639218 855366048 /nfs/dbraw/zinc/36/60/48/855366048.db2.gz DVLFICWQINMOBH-UHFFFAOYSA-N -1 1 397.500 3.730 20 30 GHEDMM N#Cc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1Cl ZINC000614635092 855894025 /nfs/dbraw/zinc/89/40/25/855894025.db2.gz CAOHWSMBRUKRPM-UHFFFAOYSA-N -1 1 398.587 3.774 20 30 GHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC)c2)c1 ZINC000573282211 856010167 /nfs/dbraw/zinc/01/01/67/856010167.db2.gz VDWOBCJDVBGDDV-UHFFFAOYSA-N -1 1 388.489 3.534 20 30 GHEDMM C=CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000573988433 856845265 /nfs/dbraw/zinc/84/52/65/856845265.db2.gz FKMGWHQGCIQKIN-UHFFFAOYSA-N -1 1 397.500 3.646 20 30 GHEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)o3)n2)cc1 ZINC000131819157 856994708 /nfs/dbraw/zinc/99/47/08/856994708.db2.gz QDAQYLVOHODMFI-AWEZNQCLSA-N -1 1 381.413 3.681 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000008033431 857057384 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Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)ccc1C#N ZINC001259550492 1045229588 /nfs/dbraw/zinc/22/95/88/1045229588.db2.gz NZPLPJYLGWSNEY-UHFFFAOYSA-N -1 1 398.488 3.685 20 30 GHEDMM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1C ZINC001259565982 1045235047 /nfs/dbraw/zinc/23/50/47/1045235047.db2.gz YGRKFEWNKCBEJE-UHFFFAOYSA-N -1 1 397.500 3.795 20 30 GHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC[C@@H]3C)cc2)c1 ZINC001259693507 1045268496 /nfs/dbraw/zinc/26/84/96/1045268496.db2.gz HHUMEYYIZVACMG-INIZCTEOSA-N -1 1 397.500 3.875 20 30 GHEDMM N#Cc1c(F)cc([N-]S(=O)(=O)c2ccc(Oc3ccccn3)cc2)cc1F ZINC001260148122 1045398292 /nfs/dbraw/zinc/39/82/92/1045398292.db2.gz OWZVHAXKQIWRNB-UHFFFAOYSA-N -1 1 387.367 3.825 20 30 GHEDMM N#Cc1ccc(OCc2ccc(C(=O)NCCc3c(F)cc([O-])cc3F)o2)cc1 ZINC001304012421 1047561566 /nfs/dbraw/zinc/56/15/66/1047561566.db2.gz NIJYJUBCYRNZKI-UHFFFAOYSA-N -1 1 398.365 3.687 20 30 GHEDMM C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC(c2cccc(Cl)c2F)=NO1 ZINC001306898696 1048951853 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Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)c2)c1 ZINC001454649194 1061900183 /nfs/dbraw/zinc/90/01/83/1061900183.db2.gz CDZWUEXCGMMQJZ-YLJYHZDGSA-N -1 1 397.500 3.560 20 30 GHEDMM CCOC(=O)c1ncc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)s1 ZINC001351248625 1064327063 /nfs/dbraw/zinc/32/70/63/1064327063.db2.gz NMPSSZQRKRIMAA-LLVKDONJSA-N -1 1 375.475 3.966 20 30 GHEDMM C=CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)C(=O)OCC ZINC001463730603 1064576985 /nfs/dbraw/zinc/57/69/85/1064576985.db2.gz QKWRFFACTIUSOJ-GFCCVEGCSA-N -1 1 399.818 3.535 20 30 GHEDMM N#Cc1ncn(-c2ccccc2NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC001468715507 1067845289 /nfs/dbraw/zinc/84/52/89/1067845289.db2.gz DAIYZPSDKBWKGC-UHFFFAOYSA-N -1 1 397.394 3.889 20 30 GHEDMM N#CCc1cccc2c1CCN(C(=O)c1c([O-])cnc3ccc(Cl)cc31)C2 ZINC001472607136 1073571794 /nfs/dbraw/zinc/57/17/94/1073571794.db2.gz AXHDBUOLLVKBGF-UHFFFAOYSA-N -1 1 377.831 3.858 20 30 GHEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC001475134044 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/nfs/dbraw/zinc/09/26/15/608092615.db2.gz ILOSKPPOZFDLFY-AATRIKPKSA-N -1 1 376.873 3.783 20 30 GHEDMM Cc1nn(Cc2ccccc2)c(C)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000613286912 837523250 /nfs/dbraw/zinc/52/32/50/837523250.db2.gz AAVLUZMSTZMIEO-SFHVURJKSA-N -1 1 383.455 3.925 20 30 GHEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC000066544523 837739047 /nfs/dbraw/zinc/73/90/47/837739047.db2.gz BMMAAPRCMZKQTH-AWEZNQCLSA-N -1 1 394.412 3.799 20 30 GHEDMM N#Cc1c(NCc2cccc(Br)c2[O-])nc2cc(Cl)ccn21 ZINC000804654779 834398403 /nfs/dbraw/zinc/39/84/03/834398403.db2.gz YWWSBZQNABSCOC-UHFFFAOYSA-N -1 1 377.629 3.940 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000584428347 834586198 /nfs/dbraw/zinc/58/61/98/834586198.db2.gz RKSBOWFMTNMTKM-GJZGRUSLSA-N -1 1 384.379 3.785 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c(C#N)cc1N(C)C ZINC000583785308 835039135 /nfs/dbraw/zinc/03/91/35/835039135.db2.gz WZDDJGKXTGEHLF-UHFFFAOYSA-N -1 1 377.897 3.571 20 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C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 ZINC000427302263 852954890 /nfs/dbraw/zinc/95/48/90/852954890.db2.gz ORRQZFFCYOSUFV-UHFFFAOYSA-N -1 1 389.473 3.539 20 30 GHEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000329996867 862491656 /nfs/dbraw/zinc/49/16/56/862491656.db2.gz POVUBBVYSDBVMW-UHFFFAOYSA-N -1 1 382.464 3.660 20 30 GHEDMM O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1ccc(Br)c([O-])c1 ZINC000328980987 854640328 /nfs/dbraw/zinc/64/03/28/854640328.db2.gz XZRMOTHGNJFOKZ-GFCCVEGCSA-N -1 1 386.311 3.904 20 30 GHEDMM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589197112 854743453 /nfs/dbraw/zinc/74/34/53/854743453.db2.gz GREAFJHZDGFMOU-GTNSWQLSSA-N -1 1 389.249 3.532 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)c1 ZINC000589199407 854744252 /nfs/dbraw/zinc/74/42/52/854744252.db2.gz HVPZKLFIOKGHJI-CQSZACIVSA-N -1 1 386.276 3.899 20 30 GHEDMM CCOc1ccc(C#N)cc1NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000056478304 854755144 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858270536 /nfs/dbraw/zinc/27/05/36/858270536.db2.gz MOWLTCUZPQLLFG-OAHLLOKOSA-N -1 1 376.400 3.524 20 30 GHEDMM Cc1cnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)[n-]c1=O ZINC000594897256 858298288 /nfs/dbraw/zinc/29/82/88/858298288.db2.gz LXBWTZTWEHCECK-NSHDSACASA-N -1 1 388.518 3.812 20 30 GHEDMM N#Cc1ccc(C(=O)NCCc2cc(Cl)ccc2Br)cc1[O-] ZINC000443059173 858328994 /nfs/dbraw/zinc/32/89/94/858328994.db2.gz BPLZSDVEGCKAMZ-UHFFFAOYSA-N -1 1 379.641 3.652 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000115312747 858487647 /nfs/dbraw/zinc/48/76/47/858487647.db2.gz GZTCRCPBBNNETO-AREMUKBSSA-N -1 1 396.493 3.667 20 30 GHEDMM CC[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000183820101 858824960 /nfs/dbraw/zinc/82/49/60/858824960.db2.gz LVTVVSJJSBHRBC-QGZVFWFLSA-N -1 1 385.489 3.526 20 30 GHEDMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000509378121 859230000 /nfs/dbraw/zinc/23/00/00/859230000.db2.gz KBLSBLMFTUJAAJ-UHFFFAOYSA-N -1 1 377.469 3.962 20 30 GHEDMM CC#CC[C@@H](NCc1c(C)nn(Cc2ccccc2Cl)c1Cl)C(=O)[O-] ZINC000904058821 860079293 /nfs/dbraw/zinc/07/92/93/860079293.db2.gz QSAZIPJGJKNRCD-MRXNPFEDSA-N -1 1 380.275 3.503 20 30 GHEDMM C[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])C(=O)NC1(C#N)CCCCC1 ZINC000730361188 861056669 /nfs/dbraw/zinc/05/66/69/861056669.db2.gz YTZJQTCESUFFMG-JTQLQIEISA-N -1 1 385.247 3.587 20 30 GHEDMM N#CC1CCC(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000281698237 863330624 /nfs/dbraw/zinc/33/06/24/863330624.db2.gz GIURAEIOKJFQAO-UHFFFAOYSA-N -1 1 397.500 3.547 20 30 GHEDMM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000608553191 865452477 /nfs/dbraw/zinc/45/24/77/865452477.db2.gz YIAGCBGQRXISGB-HNNXBMFYSA-N -1 1 377.404 3.815 20 30 GHEDMM COc1cccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000608954917 865878648 /nfs/dbraw/zinc/87/86/48/865878648.db2.gz ZQESAFGMRWKHLE-UHFFFAOYSA-N -1 1 394.452 3.947 20 30 GHEDMM CC(C)CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000740760924 865988407 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398.216 3.835 20 30 GHEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001227120210 1032277318 /nfs/dbraw/zinc/27/73/18/1032277318.db2.gz HZQXEWFTVUZXOP-LJQANCHMSA-N -1 1 381.472 3.603 20 30 GHEDMM C=C(C)C(=O)OC[C@@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227701389 1032522067 /nfs/dbraw/zinc/52/20/67/1032522067.db2.gz FESBRQIYHMRTBU-CQSZACIVSA-N -1 1 399.399 3.726 20 30 GHEDMM [O-]N=C(Nc1nc(Cl)nc2c1SCC2)c1ccc(OC(F)(F)F)cc1 ZINC001155909091 1032784893 /nfs/dbraw/zinc/78/48/93/1032784893.db2.gz IDAVQEQVDSTJFF-UHFFFAOYSA-N -1 1 390.774 3.925 20 30 GHEDMM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000755451526 1023254957 /nfs/dbraw/zinc/25/49/57/1023254957.db2.gz KQUTWOKTWFDKPN-HNNXBMFYSA-N -1 1 395.203 3.931 20 30 GHEDMM [O-]c1c(F)cccc1C=NN1C(=S)N=NC1c1ccc(OC(F)F)cc1 ZINC000755554522 1023293768 /nfs/dbraw/zinc/29/37/68/1023293768.db2.gz VPPRXRJUATZKDW-UHFFFAOYSA-N -1 1 380.351 3.562 20 30 GHEDMM C=C(C)[C@H](CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)OCC ZINC000756505457 1023688383 /nfs/dbraw/zinc/68/83/83/1023688383.db2.gz RTAITJTUQBFNNP-ZFWWWQNUSA-N -1 1 385.489 3.823 20 30 GHEDMM COc1cc(C(=O)[O-])ccc1N=NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000756901000 1023853151 /nfs/dbraw/zinc/85/31/51/1023853151.db2.gz GECOIARTWMSJLN-UHFFFAOYSA-N -1 1 382.395 3.781 20 30 GHEDMM C[C@H]1OCc2c1nc(Cl)nc2NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163764890 1026307471 /nfs/dbraw/zinc/30/74/71/1026307471.db2.gz DFKCUVDFWPMADF-SSDOTTSWSA-N -1 1 388.733 3.868 20 30 GHEDMM C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC001164414876 1026508994 /nfs/dbraw/zinc/50/89/94/1026508994.db2.gz VVODMXWXQMSHFX-CYBMUJFWSA-N -1 1 394.880 3.685 20 30 GHEDMM CSc1nc(Cl)c(/C=N/[O-])c(N(C)Cc2ncccc2C(F)(F)F)n1 ZINC001165222510 1026671358 /nfs/dbraw/zinc/67/13/58/1026671358.db2.gz NGEBRPZBIXYFIG-CGOBSMCZSA-N -1 1 391.806 3.710 20 30 GHEDMM CCOc1c(OC)cc(/C=C/C(=O)c2cc(OC)c([O-])c(OC)c2)cc1OC ZINC000843270907 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CC(C)(C)OC(=O)N1CCC[C@@]2(CCCCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC001159491318 1034619348 /nfs/dbraw/zinc/61/93/48/1034619348.db2.gz WWQVYAZGINCVOT-QFIPXVFZSA-N -1 1 399.491 3.660 20 30 GHEDMM COc1cc(OC)cc([C@H](C)Nc2nc(SC)nc(Cl)c2/C=N/[O-])c1 ZINC001159810205 1034749822 /nfs/dbraw/zinc/74/98/22/1034749822.db2.gz SIJRHVGRAUMQSG-ZBPACCJBSA-N -1 1 382.873 3.850 20 30 GHEDMM COC(=O)c1nc(-c2ccccc2)[n-]c(=O)c1O[C@H](C)c1ccccc1C#N ZINC001234553995 1040123432 /nfs/dbraw/zinc/12/34/32/1040123432.db2.gz JQSCTLJWHBSTDB-CYBMUJFWSA-N -1 1 375.384 3.647 20 30 GHEDMM CC(C)c1nc(C(N)=O)c(O[C@H](C#Cc2ccccc2)c2ccccc2)c(=O)[n-]1 ZINC001234565183 1040129394 /nfs/dbraw/zinc/12/93/94/1040129394.db2.gz MBOUARIDJQSVNM-GOSISDBHSA-N -1 1 387.439 3.576 20 30 GHEDMM N#Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1 ZINC001254290109 1040141404 /nfs/dbraw/zinc/14/14/04/1040141404.db2.gz HLOSBNVZSARMQV-UHFFFAOYSA-N -1 1 383.376 3.988 20 30 GHEDMM N#C[C@H]1CC[C@@H](Oc2cc(/C=C3\COc4cc([O-])ccc4C3=O)ccc2O)C1 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LVUHFWIVYXGSJW-UHFFFAOYSA-N -1 1 387.276 3.740 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2nc(Cl)c(Cl)cc2Cl)ccc1F ZINC001259413152 1045135394 /nfs/dbraw/zinc/13/53/94/1045135394.db2.gz VAWOEXNLZXMZAN-UHFFFAOYSA-N -1 1 380.615 3.853 20 30 GHEDMM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC001259470403 1045183124 /nfs/dbraw/zinc/18/31/24/1045183124.db2.gz MBHJEGRFQJJFGA-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCC(C)CC2)cc1 ZINC001259712517 1045272332 /nfs/dbraw/zinc/27/23/32/1045272332.db2.gz FUSNGEIQLALCEJ-UHFFFAOYSA-N -1 1 397.500 3.733 20 30 GHEDMM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)c(C#N)c1 ZINC001260771756 1045651206 /nfs/dbraw/zinc/65/12/06/1045651206.db2.gz WNVJZPZVECLZER-UHFFFAOYSA-N -1 1 399.516 3.975 20 30 GHEDMM O=S1(=O)[N-]/C(=N/CC2(c3cccc(C(F)(F)F)c3)CCC2)c2ccccc21 ZINC001329665175 1050878149 /nfs/dbraw/zinc/87/81/49/1050878149.db2.gz CCNBFTAINHWREY-UHFFFAOYSA-N -1 1 394.418 3.866 20 30 GHEDMM COc1ccccc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC001343318773 1053700772 /nfs/dbraw/zinc/70/07/72/1053700772.db2.gz WREUOMDONQLCSF-CYBMUJFWSA-N -1 1 379.441 3.774 20 30 GHEDMM CCn1ccnc1C(C#N)=C([O-])c1nn(-c2ccc(C)cc2F)c2c1CCC2 ZINC001344325740 1054356439 /nfs/dbraw/zinc/35/64/39/1054356439.db2.gz IPLAVMHPSPOROE-HNNXBMFYSA-N -1 1 377.423 3.515 20 30 GHEDMM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001344367066 1054386872 /nfs/dbraw/zinc/38/68/72/1054386872.db2.gz ALSIWMIOVDPHTP-MNOVXSKESA-N -1 1 386.864 3.975 20 30 GHEDMM Cc1nc([C@H]2CCOC2)sc1C([O-])=C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001344367068 1054387534 /nfs/dbraw/zinc/38/75/34/1054387534.db2.gz ALSIWMIOVDPHTP-WDEREUQCSA-N -1 1 386.864 3.975 20 30 GHEDMM C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@@H]1CCCCO1 ZINC001344607576 1054594425 /nfs/dbraw/zinc/59/44/25/1054594425.db2.gz MQDVFCDMSDYPNS-ZFWWWQNUSA-N -1 1 389.887 3.612 20 30 GHEDMM N#CC(=C([O-])c1ccnc2[nH]c(CC3CC3)nc21)c1cc(C(F)(F)F)ccn1 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N#Cc1c(F)cccc1N1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000739093345 599938191 /nfs/dbraw/zinc/93/81/91/599938191.db2.gz PGNZIXDPZFRDDV-UHFFFAOYSA-N -1 1 395.459 3.932 20 30 GHEDMM C#CC[C@@H](NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC000833360170 605132990 /nfs/dbraw/zinc/13/29/90/605132990.db2.gz FQADFAYVYUZVFF-MRXNPFEDSA-N -1 1 391.254 3.984 20 30 GHEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2c(Cl)cc(Cl)cc21 ZINC000823504804 606391501 /nfs/dbraw/zinc/39/15/01/606391501.db2.gz UTYKYKFLJRGFBL-CLTKARDFSA-N -1 1 379.228 3.894 20 30 GHEDMM N#Cc1cc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)ccc1F ZINC000822818840 606928068 /nfs/dbraw/zinc/92/80/68/606928068.db2.gz HQVGTMHDOOWRCY-UHFFFAOYSA-N -1 1 387.378 3.677 20 30 GHEDMM CC(=NNc1ccc(Br)c(C)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958642 608094626 /nfs/dbraw/zinc/09/46/26/608094626.db2.gz UMTVVROPFROTQI-UHFFFAOYSA-N -1 1 377.271 3.835 20 30 GHEDMM N#Cc1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cc1[O-] ZINC000188745259 837556974 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N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1C(F)(F)F ZINC000177620865 838036307 /nfs/dbraw/zinc/03/63/07/838036307.db2.gz OFCJZHATUSKDGF-UHFFFAOYSA-N -1 1 392.362 3.768 20 30 GHEDMM Cc1cccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)c1C#N ZINC000544102585 839358450 /nfs/dbraw/zinc/35/84/50/839358450.db2.gz JRHJBGUNJJCCTI-OAHLLOKOSA-N -1 1 390.333 3.727 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)ccc1Cl ZINC000064938273 839572221 /nfs/dbraw/zinc/57/22/21/839572221.db2.gz SBMIMKPIULVTNN-UHFFFAOYSA-N -1 1 376.865 3.939 20 30 GHEDMM N#Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000432061477 840575113 /nfs/dbraw/zinc/57/51/13/840575113.db2.gz JCFFGTIUUGVENL-UHFFFAOYSA-N -1 1 383.454 3.673 20 30 GHEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(N(C)C)c3)n2)cc1 ZINC000124712385 841005927 /nfs/dbraw/zinc/00/59/27/841005927.db2.gz HJNFFOSZCHOVEW-MRXNPFEDSA-N -1 1 378.457 3.770 20 30 GHEDMM C=CCn1c(Cc2csc(NC(=O)c3ccc4c(c3)CCC4)n2)n[n-]c1=S ZINC000025681936 841857227 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388.464 3.749 20 30 GHEDMM COc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1NS(C)(=O)=O ZINC000255496051 846585472 /nfs/dbraw/zinc/58/54/72/846585472.db2.gz GMAULKQMWBWLSF-UHFFFAOYSA-N -1 1 389.260 3.830 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000272534776 847103587 /nfs/dbraw/zinc/10/35/87/847103587.db2.gz NRFLUDBMPYWHLE-UHFFFAOYSA-N -1 1 397.500 3.562 20 30 GHEDMM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC001211570026 849324465 /nfs/dbraw/zinc/32/44/65/849324465.db2.gz MKHPGNQXBBHTBX-ZDUSSCGKSA-N -1 1 376.425 3.947 20 30 GHEDMM N#CC(=C([O-])c1cccc(C(=O)NC2CC2)c1)c1nc(-c2ccncc2)cs1 ZINC000439643997 850205374 /nfs/dbraw/zinc/20/53/74/850205374.db2.gz HLTVIDFSVUPOSD-KRWDZBQOSA-N -1 1 388.452 3.587 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC)c(OCC)c1 ZINC000439624050 850208030 /nfs/dbraw/zinc/20/80/30/850208030.db2.gz UJPFYGJSYNRLOF-UHFFFAOYSA-N -1 1 389.477 3.588 20 30 GHEDMM CCC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 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RXCYUGKMJLMGPL-UHFFFAOYSA-N -1 1 384.501 3.918 20 30 GHEDMM COc1cc([C@H](C#N)NC(=O)c2cc3ccccc3cc2[O-])cc(OC)c1OC ZINC000436605677 852105837 /nfs/dbraw/zinc/10/58/37/852105837.db2.gz LGBZMLLFYDQGAM-KRWDZBQOSA-N -1 1 392.411 3.566 20 30 GHEDMM N#Cc1ccc(C2=CCN(C(=O)c3ccc(Br)cc3[O-])CC2)cc1 ZINC000436663235 852160731 /nfs/dbraw/zinc/16/07/31/852160731.db2.gz GCJUDJRTPGFONZ-UHFFFAOYSA-N -1 1 383.245 3.956 20 30 GHEDMM N#Cc1cccc(COc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2F)c1 ZINC000436704420 852222769 /nfs/dbraw/zinc/22/27/69/852222769.db2.gz OWJCWJAFZBTULY-UHFFFAOYSA-N -1 1 378.359 3.940 20 30 GHEDMM CCOc1cc(-c2noc(-c3ccnc(C#N)c3)n2)cc(Br)c1[O-] ZINC000436869177 852432524 /nfs/dbraw/zinc/43/25/24/852432524.db2.gz LVVBRSZOZVMNJY-UHFFFAOYSA-N -1 1 387.193 3.537 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1NC(=O)C(C)(C)C ZINC000427211071 852867242 /nfs/dbraw/zinc/86/72/42/852867242.db2.gz JZHKFVRRFILQMH-UHFFFAOYSA-N -1 1 389.452 3.791 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cc1F ZINC000427214256 852870381 /nfs/dbraw/zinc/87/03/81/852870381.db2.gz XQYXLEYWLXCFAZ-UHFFFAOYSA-N -1 1 389.433 3.534 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1OCC(F)(F)F ZINC000427279463 852930102 /nfs/dbraw/zinc/93/01/02/852930102.db2.gz DJNOFFCEBYRZCC-UHFFFAOYSA-N -1 1 388.342 3.748 20 30 GHEDMM N#CCCn1cc(C(=O)COC(=O)c2cc(-c3ccco3)n[nH]2)c2ccccc21 ZINC000913298223 853208673 /nfs/dbraw/zinc/20/86/73/853208673.db2.gz GWCLRJTXCVJZPK-UHFFFAOYSA-N -1 1 388.383 3.578 20 30 GHEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000055595717 854015018 /nfs/dbraw/zinc/01/50/18/854015018.db2.gz SCAVPMFBNIMGJR-UHFFFAOYSA-N -1 1 398.362 3.503 20 30 GHEDMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000055588336 854015069 /nfs/dbraw/zinc/01/50/69/854015069.db2.gz MQKCZRVWDDYHHP-UHFFFAOYSA-N -1 1 390.424 3.726 20 30 GHEDMM CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589181223 854735927 /nfs/dbraw/zinc/73/59/27/854735927.db2.gz XPOXLGFFNTYGHX-UHFFFAOYSA-N 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20 30 GHEDMM N#CC(C(=O)c1ccc(F)c(NC(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000740303389 603170873 /nfs/dbraw/zinc/17/08/73/603170873.db2.gz IZDJVWBYIJADSQ-LBPRGKRZSA-N -1 1 382.376 3.924 20 30 GHEDMM C#CCCOc1ccc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000833364726 604673315 /nfs/dbraw/zinc/67/33/15/604673315.db2.gz BFSBNSIYKYLREE-LJQANCHMSA-N -1 1 377.362 3.764 20 30 GHEDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000833421654 604945943 /nfs/dbraw/zinc/94/59/43/604945943.db2.gz WMQFKRYZSYNZMZ-INIZCTEOSA-N -1 1 381.476 3.560 20 30 GHEDMM CC(C)[C@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000820016059 606168466 /nfs/dbraw/zinc/16/84/66/606168466.db2.gz IZTDEKNXIBMMQC-INIZCTEOSA-N -1 1 381.367 3.503 20 30 GHEDMM CC(C)[C@H](C#N)OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000820016059 606168467 /nfs/dbraw/zinc/16/84/67/606168467.db2.gz IZTDEKNXIBMMQC-INIZCTEOSA-N -1 1 381.367 3.503 20 30 GHEDMM O=C(C=Cc1ccc(OCc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401057 608092357 /nfs/dbraw/zinc/09/23/57/608092357.db2.gz OGZJIGHGPSZHDK-ZZXKWVIFSA-N -1 1 389.440 3.798 20 30 GHEDMM O=C(C=Cc1ccc(OCc2ccncc2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401057 608092358 /nfs/dbraw/zinc/09/23/58/608092358.db2.gz OGZJIGHGPSZHDK-ZZXKWVIFSA-N -1 1 389.440 3.798 20 30 GHEDMM COc1ccc(Br)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826186842 608092641 /nfs/dbraw/zinc/09/26/41/608092641.db2.gz MMQIXAJDHNHQJT-GORDUTHDSA-N -1 1 391.250 3.595 20 30 GHEDMM COc1ccc(Br)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826186842 608092642 /nfs/dbraw/zinc/09/26/42/608092642.db2.gz MMQIXAJDHNHQJT-GORDUTHDSA-N -1 1 391.250 3.595 20 30 GHEDMM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826403642 608093332 /nfs/dbraw/zinc/09/33/32/608093332.db2.gz XSWNXRYHKCWXFA-WAYWQWQTSA-N -1 1 380.351 3.765 20 30 GHEDMM O=C(C=Cc1ccccc1OCC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826403642 608093333 /nfs/dbraw/zinc/09/33/33/608093333.db2.gz XSWNXRYHKCWXFA-WAYWQWQTSA-N -1 1 380.351 3.765 20 30 GHEDMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCc2cccc(C#N)c2F)n1 ZINC000826262378 608669648 /nfs/dbraw/zinc/66/96/48/608669648.db2.gz NFYQKCJEKSGQJV-UHFFFAOYSA-N -1 1 394.357 3.892 20 30 GHEDMM COC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)cs1 ZINC001125281848 834745655 /nfs/dbraw/zinc/74/56/55/834745655.db2.gz RZXWZAZGYDMOIU-UHFFFAOYSA-N -1 1 395.465 3.881 20 30 GHEDMM C=CCOc1c(Br)cc(CN2CCC(C)(C(=O)[O-])CC2)cc1OC ZINC000647463551 835978295 /nfs/dbraw/zinc/97/82/95/835978295.db2.gz JIZLVQMCVSVDME-UHFFFAOYSA-N -1 1 398.297 3.709 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC[C@](C)(C#N)C3)c2)c1 ZINC000612236955 835991306 /nfs/dbraw/zinc/99/13/06/835991306.db2.gz PMEXUTZZETYXPL-OAQYLSRUSA-N -1 1 397.500 3.562 20 30 GHEDMM Cn1c(C(C#N)=C([O-])c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc21 ZINC000173900350 836331040 /nfs/dbraw/zinc/33/10/40/836331040.db2.gz CZYLWMLQPRITRJ-LBPRGKRZSA-N -1 1 388.305 3.990 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C(F)(F)F ZINC000177621051 838036546 /nfs/dbraw/zinc/03/65/46/838036546.db2.gz NVWKJGBLSDPCME-UHFFFAOYSA-N -1 1 383.376 3.988 20 30 GHEDMM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000189040994 838060697 /nfs/dbraw/zinc/06/06/97/838060697.db2.gz MEBVPKXHGZCOAI-LLVKDONJSA-N -1 1 398.843 3.565 20 30 GHEDMM Cn1c2ccccc2nc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614366354 844303974 /nfs/dbraw/zinc/30/39/74/844303974.db2.gz LQURZOHLUSCCJR-OAQYLSRUSA-N -1 1 382.423 3.670 20 30 GHEDMM N#CC(=C([O-])c1cccnc1OCC(F)(F)F)c1ccc(C(F)(F)F)cn1 ZINC000122416215 839529112 /nfs/dbraw/zinc/52/91/12/839529112.db2.gz GSZHSBDVZVJSJE-NSHDSACASA-N -1 1 389.255 3.927 20 30 GHEDMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000557831781 840522182 /nfs/dbraw/zinc/52/21/82/840522182.db2.gz HWHCTADOMNOOEU-ZETCQYMHSA-N -1 1 383.285 3.734 20 30 GHEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000047465515 844563893 /nfs/dbraw/zinc/56/38/93/844563893.db2.gz UKHUBEYNZJVABY-UHFFFAOYSA-N -1 1 392.427 3.580 20 30 GHEDMM CCOc1cc(/C=C\C(=O)c2cc(O)ccc2[O-])cc(Br)c1O ZINC000255267355 840704797 /nfs/dbraw/zinc/70/47/97/840704797.db2.gz MKRUDFKYOYHGCP-HYXAFXHYSA-N -1 1 379.206 3.861 20 30 GHEDMM Cc1ccc(-n2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)c(C(C)(C)C)n2)cc1 ZINC000255298251 841328375 /nfs/dbraw/zinc/32/83/75/841328375.db2.gz VURATODXZRBLGN-NHHWLVAYSA-N -1 1 392.455 3.706 20 30 GHEDMM Cc1nc(C2CC2)oc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000329444972 861440623 /nfs/dbraw/zinc/44/06/23/861440623.db2.gz CHUJEMVHFAKJDX-LBPRGKRZSA-N -1 1 394.456 3.940 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1F ZINC000542094543 843965768 /nfs/dbraw/zinc/96/57/68/843965768.db2.gz YJCWRZSZHYHLIQ-UHFFFAOYSA-N -1 1 388.342 3.834 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000614293287 845554926 /nfs/dbraw/zinc/55/49/26/845554926.db2.gz HMVHAZPLMRZVHL-UHFFFAOYSA-N -1 1 397.478 3.811 20 30 GHEDMM C=CCc1cc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc(OC)c1OC ZINC000016171374 847449033 /nfs/dbraw/zinc/44/90/33/847449033.db2.gz XLUNEPPWQOUTLC-UHFFFAOYSA-N -1 1 396.395 3.601 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cc(C(F)(F)F)cn3)c2)cc1 ZINC000479550173 847726316 /nfs/dbraw/zinc/72/63/16/847726316.db2.gz ZOBRGNHIRMUIBP-UHFFFAOYSA-N -1 1 392.362 3.564 20 30 GHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)OCC)c2)c1 ZINC000506602031 850065156 /nfs/dbraw/zinc/06/51/56/850065156.db2.gz UOQNZGCUYXQAIV-UHFFFAOYSA-N -1 1 389.473 3.548 20 30 GHEDMM C[C@@H](Sc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1)C(=O)[O-] ZINC000504666239 850222699 /nfs/dbraw/zinc/22/26/99/850222699.db2.gz QMTRWHNFZCDXNX-SNVBAGLBSA-N -1 1 396.877 3.578 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)cc1C ZINC000424973488 850811366 /nfs/dbraw/zinc/81/13/66/850811366.db2.gz XYBOHHLUVLLXGF-QFBILLFUSA-N -1 1 397.500 3.526 20 30 GHEDMM N#C[C@@]1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCc2ccccc2C1 ZINC000435900341 850958471 /nfs/dbraw/zinc/95/84/71/850958471.db2.gz ARNKNINTKWYYJQ-QGZVFWFLSA-N -1 1 399.274 3.862 20 30 GHEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000473762306 851854957 /nfs/dbraw/zinc/85/49/57/851854957.db2.gz FSPGCSSQRYBBTB-UHFFFAOYSA-N -1 1 393.530 3.743 20 30 GHEDMM Cc1cccn2c1ncc(C([O-])=C(C#N)c1nc3cc(Cl)ccc3s1)c2=O ZINC000180741658 862309960 /nfs/dbraw/zinc/30/99/60/862309960.db2.gz VFCRFUCBZAUEMP-GFCCVEGCSA-N -1 1 394.843 3.756 20 30 GHEDMM COc1cc([C@@H](C#N)NC(=O)c2ccc3ccccc3c2[O-])cc(OC)c1OC ZINC000436609609 852109576 /nfs/dbraw/zinc/10/95/76/852109576.db2.gz RQFGVGDRXKKCGE-QGZVFWFLSA-N -1 1 392.411 3.566 20 30 GHEDMM C#CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000108520916 852429930 /nfs/dbraw/zinc/42/99/30/852429930.db2.gz JCVGDQSXULPGEN-UHFFFAOYSA-N -1 1 378.428 3.531 20 30 GHEDMM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489731251 852556080 /nfs/dbraw/zinc/55/60/80/852556080.db2.gz ASOSDWVAJQHYLZ-LLVKDONJSA-N -1 1 394.449 3.576 20 30 GHEDMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SCCC#N ZINC000518113731 852866989 /nfs/dbraw/zinc/86/69/89/852866989.db2.gz RSVGSWBKPWRLJH-UHFFFAOYSA-N -1 1 394.449 3.639 20 30 GHEDMM CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc21 ZINC000593859884 862401863 /nfs/dbraw/zinc/40/18/63/862401863.db2.gz IXVIRDIJWKDTOF-MSOLQXFVSA-N -1 1 378.428 3.564 20 30 GHEDMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1cccc(OC(F)(F)F)c1F ZINC000427215923 852874206 /nfs/dbraw/zinc/87/42/06/852874206.db2.gz BJBMVUMTYWVIOF-UHFFFAOYSA-N -1 1 389.248 3.942 20 30 GHEDMM C#CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CCCC1 ZINC000164092334 853720572 /nfs/dbraw/zinc/72/05/72/853720572.db2.gz HZHBHIKONOCKJY-UHFFFAOYSA-N -1 1 382.485 3.505 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1OCC(F)(F)F ZINC000055595709 854014152 /nfs/dbraw/zinc/01/41/52/854014152.db2.gz VDIFPJXBZZLVDD-UHFFFAOYSA-N -1 1 390.770 3.954 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)o1 ZINC000588112862 854115927 /nfs/dbraw/zinc/11/59/27/854115927.db2.gz AEIKPZKMNLMYAG-SFHVURJKSA-N -1 1 388.395 3.692 20 30 GHEDMM N#Cc1ccc(CSc2nnc(NC(=O)c3cc([O-])cc(C#N)c3)s2)cc1 ZINC000589166541 854711048 /nfs/dbraw/zinc/71/10/48/854711048.db2.gz FSVAKMFADLAXLJ-UHFFFAOYSA-N -1 1 393.453 3.532 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000589176599 854716706 /nfs/dbraw/zinc/71/67/06/854716706.db2.gz RUOVELHZBIBVPF-LJQANCHMSA-N -1 1 395.846 3.505 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc3ccccc3n2CCc2ccccn2)c1 ZINC000589189985 854740485 /nfs/dbraw/zinc/74/04/85/854740485.db2.gz HOFLPOVNPOQLIL-UHFFFAOYSA-N -1 1 383.411 3.504 20 30 GHEDMM N#C[C@H](C(=O)c1scnc1C1CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000127572829 855025921 /nfs/dbraw/zinc/02/59/21/855025921.db2.gz OTICTNMVRVLDCH-LLVKDONJSA-N -1 1 396.497 3.687 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CCCC2)o1 ZINC000553520877 855092761 /nfs/dbraw/zinc/09/27/61/855092761.db2.gz QKJRSIUEJQNYMZ-UHFFFAOYSA-N -1 1 384.379 3.918 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000553561124 855101052 /nfs/dbraw/zinc/10/10/52/855101052.db2.gz SRFAYEBWQCPNLS-GJZGRUSLSA-N -1 1 384.379 3.785 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000055652337 855370145 /nfs/dbraw/zinc/37/01/45/855370145.db2.gz ZLMPCDSGANJIAD-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2)cc1 ZINC000507823703 856457960 /nfs/dbraw/zinc/45/79/60/856457960.db2.gz IGLSQHAGROHLOA-UHFFFAOYSA-N -1 1 397.500 3.562 20 30 GHEDMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ccc(F)c(C#N)c1 ZINC001128890212 856916399 /nfs/dbraw/zinc/91/63/99/856916399.db2.gz YZSUWDQJDGCUQU-UHFFFAOYSA-N -1 1 379.347 3.781 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000114673916 858159114 /nfs/dbraw/zinc/15/91/14/858159114.db2.gz PTPJKGHJCMCMJB-UHFFFAOYSA-N -1 1 397.481 3.981 20 30 GHEDMM C=CCc1cc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)cc(OC)c1OC 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CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1 ZINC000391913593 860667742 /nfs/dbraw/zinc/66/77/42/860667742.db2.gz RHRGUTBLYDOWRW-UHFFFAOYSA-N -1 1 393.262 3.714 20 30 GHEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2N[C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000603389103 860681809 /nfs/dbraw/zinc/68/18/09/860681809.db2.gz OBQPBKFFLUUUIR-RDJZCZTQSA-N -1 1 385.489 3.990 20 30 GHEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2ccncc2)cc1 ZINC000125825319 860792108 /nfs/dbraw/zinc/79/21/08/860792108.db2.gz GCHLKGBABJFHDQ-CYBMUJFWSA-N -1 1 399.422 3.938 20 30 GHEDMM C[C@H](C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1cccc(F)c1 ZINC000173916752 865235289 /nfs/dbraw/zinc/23/52/89/865235289.db2.gz XSWSIMMUOMGRMY-XHDPSFHLSA-N -1 1 395.459 3.982 20 30 GHEDMM COC(=O)[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccc(C#N)cc1 ZINC000740248138 865867390 /nfs/dbraw/zinc/86/73/90/865867390.db2.gz YUEHDDUOQXLVNP-HNNXBMFYSA-N -1 1 380.183 3.642 20 30 GHEDMM Cc1ccc([C@H]2CCCC2=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 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CCCCOC(=O)[C@@H]1CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196318758 873028999 /nfs/dbraw/zinc/02/89/99/873028999.db2.gz KZCBFHCGVCQRPT-GOSISDBHSA-N -1 1 392.455 3.736 20 30 GHEDMM COc1cc(Br)c(/C=C\C(=O)c2cc(O)ccc2[O-])c(OC)c1 ZINC000768490836 873350836 /nfs/dbraw/zinc/35/08/36/873350836.db2.gz SXZRDDGMFYKDRS-XQRVVYSFSA-N -1 1 379.206 3.774 20 30 GHEDMM CC(C)(C)c1cc(NC(=O)[N-]O[C@@H]2CCCCO2)n(-c2ccc(C#N)cc2)n1 ZINC000794382716 882742184 /nfs/dbraw/zinc/74/21/84/882742184.db2.gz OASCHFNQADWUOE-GOSISDBHSA-N -1 1 383.452 3.621 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)ccc1Br ZINC001197312132 873700742 /nfs/dbraw/zinc/70/07/42/873700742.db2.gz SGJYUFRBHGWLQW-UHFFFAOYSA-N -1 1 394.275 3.731 20 30 GHEDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)c(C#N)c3)cc2o1 ZINC001197312238 873700875 /nfs/dbraw/zinc/70/08/75/873700875.db2.gz VMYIWKPEDZADCZ-UHFFFAOYSA-N -1 1 392.234 3.571 20 30 GHEDMM C=CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C(C)C ZINC000728868208 873768703 /nfs/dbraw/zinc/76/87/03/873768703.db2.gz DLTPXGUKDHVNKV-UHFFFAOYSA-N -1 1 394.443 3.802 20 30 GHEDMM N#CC1(c2ccc([N-]S(=O)(=O)c3ccc4nccnc4c3)cc2)CCCC1 ZINC001198154618 874251371 /nfs/dbraw/zinc/25/13/71/874251371.db2.gz VIPOAXLLXVAZBD-UHFFFAOYSA-N -1 1 378.457 3.766 20 30 GHEDMM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccc2cc(O)ccc2c1 ZINC000769810271 874300512 /nfs/dbraw/zinc/30/05/12/874300512.db2.gz OBNAMJYMGMBISO-UHFFFAOYSA-N -1 1 390.447 3.982 20 30 GHEDMM CC(C)(C)n1ncc2c1nc(N=NCc1ccc(N3CCCCC3)cc1)[n-]c2=O ZINC000769811746 874303217 /nfs/dbraw/zinc/30/32/17/874303217.db2.gz DEFRIZNEHQIQHQ-UHFFFAOYSA-N -1 1 393.495 3.723 20 30 GHEDMM N#Cc1ccc(NC(=O)c2cncn2Cc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC001198335576 874359659 /nfs/dbraw/zinc/35/96/59/874359659.db2.gz YQLNWQIFMJCJBG-UHFFFAOYSA-N -1 1 386.333 3.780 20 30 GHEDMM C=C(C)Cn1c([C@@H]2CCOC2)n[n-]c1=N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000460562747 874646172 /nfs/dbraw/zinc/64/61/72/874646172.db2.gz BIDHIHREXIMJIT-RKVPGOIHSA-N -1 1 390.915 3.622 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C#N)C(C)C)cc2)ccc1F ZINC000121548176 875193266 /nfs/dbraw/zinc/19/32/66/875193266.db2.gz MIIUCFASMTXHHM-SFHVURJKSA-N -1 1 390.436 3.640 20 30 GHEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(C(F)(F)F)n2c1CCCC2 ZINC000528911002 875253384 /nfs/dbraw/zinc/25/33/84/875253384.db2.gz UDJNXSHUDCAXEW-LLVKDONJSA-N -1 1 387.365 3.615 20 30 GHEDMM CCCOc1c(F)c(F)c([N-]c2nc(C#N)c(C#N)nc2Cl)c(F)c1F ZINC001201298637 875618430 /nfs/dbraw/zinc/61/84/30/875618430.db2.gz SVVONSQAVDVMAC-UHFFFAOYSA-N -1 1 385.708 3.962 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1C#N ZINC001201316800 875628651 /nfs/dbraw/zinc/62/86/51/875628651.db2.gz DNKXCPOUKDVADE-UHFFFAOYSA-N -1 1 391.452 3.920 20 30 GHEDMM CCCCCCCCCCS(=O)(=O)[N-][C@H](C(=O)OCC)c1cccnc1 ZINC001201837051 875898542 /nfs/dbraw/zinc/89/85/42/875898542.db2.gz LZNWXDGSFNHMHU-SFHVURJKSA-N -1 1 384.542 3.746 20 30 GHEDMM CCOC(=O)Nc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1C#N ZINC000785615454 876150274 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GHEDMM N#C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCCC1 ZINC000176620443 878327716 /nfs/dbraw/zinc/32/77/16/878327716.db2.gz XRVNEEUQVMPRMA-FQEVSTJZSA-N -1 1 397.500 3.690 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC000616172295 878629613 /nfs/dbraw/zinc/62/96/13/878629613.db2.gz GGJSJCNENCPXLH-AWEZNQCLSA-N -1 1 376.243 3.579 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000776670005 879013625 /nfs/dbraw/zinc/01/36/25/879013625.db2.gz LUGRXUCKMTWYRB-LJQANCHMSA-N -1 1 378.453 3.701 20 30 GHEDMM CC(C)Oc1ccccc1[C@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000531555938 880062630 /nfs/dbraw/zinc/06/26/30/880062630.db2.gz JHPLYICRFLFFIR-LBPRGKRZSA-N -1 1 380.416 3.663 20 30 GHEDMM CC(C)Oc1ccc([C@@H]2CCCC2=NNc2nc(=O)c3cnn(C)c3[n-]2)cc1 ZINC000776769980 880202475 /nfs/dbraw/zinc/20/24/75/880202475.db2.gz KZVFLTCFSSRQNH-HNNXBMFYSA-N -1 1 380.452 3.592 20 30 GHEDMM C=C(C)Cn1c([C@H]2CCCO2)n[n-]c1=N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000453471872 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C=C(C)Cn1c(C(CC)CC)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001356317294 1057470153 /nfs/dbraw/zinc/47/01/53/1057470153.db2.gz KQDZYEVCGJLVHN-HNNXBMFYSA-N -1 1 386.500 3.604 20 30 GHEDMM C#CC[C@H](CC)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CC=C ZINC001339146187 1058981246 /nfs/dbraw/zinc/98/12/46/1058981246.db2.gz RTRCXXAXKTWYOB-KRWDZBQOSA-N -1 1 392.503 3.786 20 30 GHEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@H]1c1ccsc1 ZINC001342040803 1061016891 /nfs/dbraw/zinc/01/68/91/1061016891.db2.gz VMICEMXBOSTRJI-INIZCTEOSA-N -1 1 394.504 3.907 20 30 GHEDMM CCn1ccnc1C(C#N)=C([O-])c1sc(-c2ccc(OC)cc2F)nc1C ZINC001349702055 1063879272 /nfs/dbraw/zinc/87/92/72/1063879272.db2.gz LQHIKKXAOJFRAZ-CQSZACIVSA-N -1 1 384.436 3.973 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CCCCC2)o1 ZINC001463446079 1064357282 /nfs/dbraw/zinc/35/72/82/1064357282.db2.gz GXDQZKPHFQIDQZ-UHFFFAOYSA-N -1 1 378.881 3.985 20 30 GHEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)[C@H](C)c1cccs1 ZINC001351562554 1064515594 /nfs/dbraw/zinc/51/55/94/1064515594.db2.gz NICDIJQSOUVTSB-GFCCVEGCSA-N -1 1 382.493 3.763 20 30 GHEDMM C=C(C)COc1cccc(NC(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1 ZINC000847143126 1064766637 /nfs/dbraw/zinc/76/66/37/1064766637.db2.gz RXJJMVMCOKJLOL-CZUORRHYSA-N -1 1 399.413 3.705 20 30 GHEDMM CCCCCNC(=S)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001200044541 1065061857 /nfs/dbraw/zinc/06/18/57/1065061857.db2.gz QHSKQGXEQVQCPH-YBFXNURJSA-N -1 1 375.523 3.698 20 30 GHEDMM C=CCC[C@@H](NC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O)c1ccccc1 ZINC001466242626 1066048725 /nfs/dbraw/zinc/04/87/25/1066048725.db2.gz AEHCMMBNGXSKIB-GOSISDBHSA-N -1 1 392.455 3.983 20 30 GHEDMM C=CCOc1ccc(Br)cc1NC(=O)c1ccc(OC)cc1[O-] ZINC001468866628 1067912835 /nfs/dbraw/zinc/91/28/35/1067912835.db2.gz FVBNLFCWYOEKLF-UHFFFAOYSA-N -1 1 378.222 3.980 20 30 GHEDMM C=C(CC)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001469002476 1067948845 /nfs/dbraw/zinc/94/88/45/1067948845.db2.gz DRYRWMBAWZFDDG-UHFFFAOYSA-N -1 1 378.881 3.837 20 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389.440 3.798 20 30 GHEDMM O=C(C=Cc1ccccc1OCc1cccnc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403313 608094090 /nfs/dbraw/zinc/09/40/90/608094090.db2.gz ORFXUXFIOYPSBA-FPLPWBNLSA-N -1 1 389.440 3.798 20 30 GHEDMM O=C(C=Cc1ccccc1OCc1cccnc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403313 608094091 /nfs/dbraw/zinc/09/40/91/608094091.db2.gz ORFXUXFIOYPSBA-FPLPWBNLSA-N -1 1 389.440 3.798 20 30 GHEDMM N#Cc1cccc(COc2ccc(NCc3ccc(-c4nn[n-]n4)s3)cc2)c1 ZINC000826386562 609487798 /nfs/dbraw/zinc/48/77/98/609487798.db2.gz JUDOPRCNTGOXTL-UHFFFAOYSA-N -1 1 388.456 3.991 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCc3ccc(F)cc3)c2)c(=O)o1 ZINC000255074338 837565482 /nfs/dbraw/zinc/56/54/82/837565482.db2.gz YPVBVFRDGOMIND-UKSYNSBOSA-N -1 1 380.371 3.633 20 30 GHEDMM N#CC(=C([O-])c1c(C(F)(F)F)nc2n1CCCC2)c1cnc2ccccc2n1 ZINC000659114584 837594659 /nfs/dbraw/zinc/59/46/59/837594659.db2.gz FWGXEXUPYSFESV-LLVKDONJSA-N -1 1 385.349 3.671 20 30 GHEDMM CC(C)c1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N)CC2 ZINC001211605359 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376.865 3.716 20 30 GHEDMM CC(C)Oc1ccc(Br)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000571049587 843616321 /nfs/dbraw/zinc/61/63/21/843616321.db2.gz JADBIKJWTCOVFS-UHFFFAOYSA-N -1 1 389.315 3.918 20 30 GHEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432764053 843747493 /nfs/dbraw/zinc/74/74/93/843747493.db2.gz SFJUSHRLDAJDAT-AWEZNQCLSA-N -1 1 375.519 3.948 20 30 GHEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432781118 843806367 /nfs/dbraw/zinc/80/63/67/843806367.db2.gz PZZUCNFIBMXWOI-AWEZNQCLSA-N -1 1 375.519 3.805 20 30 GHEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000603982047 861502440 /nfs/dbraw/zinc/50/24/40/861502440.db2.gz UWJNPTNVHVEWHW-UHFFFAOYSA-N -1 1 377.853 3.751 20 30 GHEDMM C=CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000673736191 861538625 /nfs/dbraw/zinc/53/86/25/861538625.db2.gz PXMJVUQSRVJNQH-UHFFFAOYSA-N -1 1 393.428 3.801 20 30 GHEDMM N#CC(=C([O-])c1cccc(OCC(F)F)n1)c1nc2ccccc2n1C(F)F ZINC000179356607 861546720 /nfs/dbraw/zinc/54/67/20/861546720.db2.gz ZRMKZKIVHLFUNA-SNVBAGLBSA-N -1 1 392.312 3.960 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)nc1n2CCCCC1 ZINC000435199070 850213944 /nfs/dbraw/zinc/21/39/44/850213944.db2.gz UCZCXDRNQWBRCE-UHFFFAOYSA-N -1 1 380.473 3.744 20 30 GHEDMM Cc1oc(C#N)cc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000436077819 851193930 /nfs/dbraw/zinc/19/39/30/851193930.db2.gz VZDXLEAPQRLFRT-UHFFFAOYSA-N -1 1 381.413 3.513 20 30 GHEDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2SC[C@@H](C)C#N)n1 ZINC000436205878 851319308 /nfs/dbraw/zinc/31/93/08/851319308.db2.gz CXHYDPSOPOLGCK-LBPRGKRZSA-N -1 1 388.518 3.727 20 30 GHEDMM C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000522643106 862251714 /nfs/dbraw/zinc/25/17/14/862251714.db2.gz BLXIWDMTYLUULH-CYBMUJFWSA-N -1 1 378.881 3.835 20 30 GHEDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000517434464 851957424 /nfs/dbraw/zinc/95/74/24/851957424.db2.gz RTKSXHJCDMZKEZ-SNVBAGLBSA-N -1 1 396.515 3.807 20 30 GHEDMM C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489760011 852589369 /nfs/dbraw/zinc/58/93/69/852589369.db2.gz BRGYPWYOOVFCAO-LLVKDONJSA-N -1 1 394.449 3.719 20 30 GHEDMM N#Cc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)c(Cl)c1 ZINC000436999068 852613141 /nfs/dbraw/zinc/61/31/41/852613141.db2.gz DTIMPPFRFROJMM-UHFFFAOYSA-N -1 1 376.243 3.533 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1F ZINC000427093871 852708913 /nfs/dbraw/zinc/70/89/13/852708913.db2.gz AEWUMCZNOSANOS-UHFFFAOYSA-N -1 1 392.462 3.501 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438792457 852866876 /nfs/dbraw/zinc/86/68/76/852866876.db2.gz DRDQVWNBGSAFRN-UHFFFAOYSA-N -1 1 386.242 3.954 20 30 GHEDMM Cc1nn(C)c(C)c1[C@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000429601675 852901477 /nfs/dbraw/zinc/90/14/77/852901477.db2.gz MKJAZOQDPAPDGW-ZDUSSCGKSA-N -1 1 383.267 3.627 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1F ZINC000427270525 852920161 /nfs/dbraw/zinc/92/01/61/852920161.db2.gz VGZWBIMWBHQMLG-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM C=CC[C@@H](CC)NC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000507462966 852954777 /nfs/dbraw/zinc/95/47/77/852954777.db2.gz QUKXFKPERIAPPO-QGZVFWFLSA-N -1 1 387.505 3.641 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)ccc1Cl ZINC000055632209 855362370 /nfs/dbraw/zinc/36/23/70/855362370.db2.gz WLTMUJOWYHYSBY-UHFFFAOYSA-N -1 1 399.859 3.986 20 30 GHEDMM C=CCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000303922817 856203392 /nfs/dbraw/zinc/20/33/92/856203392.db2.gz WDMWOBUXHUPIQB-UHFFFAOYSA-N -1 1 390.480 3.973 20 30 GHEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3nnn(C)c3C(F)(F)F)sc2[C@H](C)C1 ZINC000905820956 856633877 /nfs/dbraw/zinc/63/38/77/856633877.db2.gz GHDBBSLYSCNXMF-HTQZYQBOSA-N -1 1 383.399 3.705 20 30 GHEDMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 ZINC001128847071 856851214 /nfs/dbraw/zinc/85/12/14/856851214.db2.gz MAQVFTNEPOEXFG-UHFFFAOYSA-N -1 1 390.399 3.697 20 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/nfs/dbraw/zinc/38/72/81/859387281.db2.gz NZTAEGXKLFDHGL-UHFFFAOYSA-N -1 1 376.250 3.992 20 30 GHEDMM CC(C)C[C@@H](C#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000611280011 859674904 /nfs/dbraw/zinc/67/49/04/859674904.db2.gz YKSXSOWKEQAGJL-INIZCTEOSA-N -1 1 387.386 3.591 20 30 GHEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1nc(-c2ccco2)sc1C ZINC000129956118 860734579 /nfs/dbraw/zinc/73/45/79/860734579.db2.gz SBWNGMIRINFFHM-LBPRGKRZSA-N -1 1 381.413 3.681 20 30 GHEDMM C[C@H](CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)n1cccc1 ZINC000735204563 864666998 /nfs/dbraw/zinc/66/69/98/864666998.db2.gz YWWOMAZRBMQHQT-TZMCWYRMSA-N -1 1 380.473 3.905 20 30 GHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(CC2CCCCC2)c2ncccn2)o1 ZINC000735938940 865063482 /nfs/dbraw/zinc/06/34/82/865063482.db2.gz JEKJUPGQIPYHEU-UHFFFAOYSA-N -1 1 395.471 3.555 20 30 GHEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000174414822 865779859 /nfs/dbraw/zinc/77/98/59/865779859.db2.gz HTIATWBZJRFHGJ-UHFFFAOYSA-N -1 1 395.463 3.633 20 30 GHEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000620317812 866657987 /nfs/dbraw/zinc/65/79/87/866657987.db2.gz YZGOQBSBKBHDRF-KDURUIRLSA-N -1 1 382.485 3.811 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(Br)cc2)C2CCC2)o1 ZINC000553463589 867497487 /nfs/dbraw/zinc/49/74/87/867497487.db2.gz PWVCNFPXVMKJOB-INIZCTEOSA-N -1 1 395.278 3.733 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(-c4ccccc4)cccc32)o1 ZINC000553816432 868286832 /nfs/dbraw/zinc/28/68/32/868286832.db2.gz QZKWRUCYHGZCGO-GOSISDBHSA-N -1 1 380.425 3.620 20 30 GHEDMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000744838697 869102885 /nfs/dbraw/zinc/10/28/85/869102885.db2.gz DGEXHRHZQNKQBK-OAQYLSRUSA-N -1 1 381.428 3.656 20 30 GHEDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000524790346 869576944 /nfs/dbraw/zinc/57/69/44/869576944.db2.gz YDTFYJNYDHVNJA-JTQLQIEISA-N -1 1 393.387 3.602 20 30 GHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)c(Cl)cc1Br ZINC001193146336 870918368 /nfs/dbraw/zinc/91/83/68/870918368.db2.gz LGDVSPMKGBVIKB-YFKPBYRVSA-N -1 1 391.596 3.775 20 30 GHEDMM CCc1ccc(NC(=O)c2cc(I)ccc2C#N)c([O-])c1 ZINC001193593669 871177549 /nfs/dbraw/zinc/17/75/49/871177549.db2.gz XOAFQGNTABISRG-UHFFFAOYSA-N -1 1 392.196 3.683 20 30 GHEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)cc2F)c1 ZINC001193681362 871233634 /nfs/dbraw/zinc/23/36/34/871233634.db2.gz UWTXJQJCNIMQOS-UHFFFAOYSA-N -1 1 392.305 3.665 20 30 GHEDMM C[C@H](C#N)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC001194010974 871431318 /nfs/dbraw/zinc/43/13/18/871431318.db2.gz PSMYTOOVYWKVKA-SECBINFHSA-N -1 1 382.800 3.605 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(F)c1 ZINC000443417258 872504653 /nfs/dbraw/zinc/50/46/53/872504653.db2.gz PMUMQDFJLJMJOR-UHFFFAOYSA-N -1 1 388.342 3.748 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c1 ZINC000619461901 872657144 /nfs/dbraw/zinc/65/71/44/872657144.db2.gz CAQOOBCZMHENAB-UHFFFAOYSA-N -1 1 382.441 3.863 20 30 GHEDMM C=CCn1c(-c2sc(NC(=O)c3ccc4n[nH]cc4c3)nc2C)n[n-]c1=S ZINC000102188279 872712421 /nfs/dbraw/zinc/71/24/21/872712421.db2.gz ALLOHCVAGHKXMJ-UHFFFAOYSA-N -1 1 397.489 3.687 20 30 GHEDMM C=C(C)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001196043101 872851735 /nfs/dbraw/zinc/85/17/35/872851735.db2.gz UXYUOOADBVDZAW-UHFFFAOYSA-N -1 1 396.262 3.981 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC4(C[C@H]4CCO)CC3)c2)c1 ZINC001196309192 873002998 /nfs/dbraw/zinc/00/29/98/873002998.db2.gz PSHOEVRTJXWVKW-HXUWFJFHSA-N -1 1 376.456 3.556 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cc(Cl)nc4ccnn43)c2)c1 ZINC001196309513 873003254 /nfs/dbraw/zinc/00/32/54/873003254.db2.gz YDDCRDLVHPVIGE-UHFFFAOYSA-N -1 1 389.802 3.879 20 30 GHEDMM COc1cnc(Cl)c(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)n1 ZINC001196309170 873003614 /nfs/dbraw/zinc/00/36/14/873003614.db2.gz OUCLSXCHFMSUMA-UHFFFAOYSA-N -1 1 380.791 3.635 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC4(C[C@H](F)CO4)CC3)c2)c1 ZINC001196318165 873027737 /nfs/dbraw/zinc/02/77/37/873027737.db2.gz DYNPYDVWIAUMOK-IBGZPJMESA-N -1 1 380.419 3.664 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCc3ccc(-c4ncon4)cc3)c2)c1 ZINC001196321316 873030738 /nfs/dbraw/zinc/03/07/38/873030738.db2.gz YSKWIVUYOMTRQC-UHFFFAOYSA-N -1 1 396.406 3.911 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCc3cc(-c4ccncc4)n[nH]3)c2)c1 ZINC001196330639 873036324 /nfs/dbraw/zinc/03/63/24/873036324.db2.gz YICJYHJJWKYZOU-UHFFFAOYSA-N -1 1 395.422 3.646 20 30 GHEDMM COC(=O)c1cccc2c1CN(C(=O)c1cc([O-])cc(-c3cccc(C#N)c3)c1)C2 ZINC001196316690 873055831 /nfs/dbraw/zinc/05/58/31/873055831.db2.gz YPIIMNUYAVKRIG-UHFFFAOYSA-N -1 1 398.418 3.873 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3nc(Cl)cnc3c2)c1 ZINC000775727596 873240733 /nfs/dbraw/zinc/24/07/33/873240733.db2.gz IFYYTLLKKXDSKB-UHFFFAOYSA-N -1 1 375.837 3.649 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)ccc1Br ZINC001197310708 873699607 /nfs/dbraw/zinc/69/96/07/873699607.db2.gz 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COc1c(C)cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1Br ZINC001201322633 875633488 /nfs/dbraw/zinc/63/34/88/875633488.db2.gz PQWUJSUIEJDUHC-UHFFFAOYSA-N -1 1 395.278 3.747 20 30 GHEDMM COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccc(C(F)(F)F)cc1C#N ZINC001201699831 875826159 /nfs/dbraw/zinc/82/61/59/875826159.db2.gz YTKFRFOWJIIEAE-UHFFFAOYSA-N -1 1 394.378 3.938 20 30 GHEDMM N#Cc1ccc(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)cc1[O-] ZINC000785570034 876134237 /nfs/dbraw/zinc/13/42/37/876134237.db2.gz HMQXPYDZZPJXLQ-UHFFFAOYSA-N -1 1 386.407 3.551 20 30 GHEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)cc1[O-] ZINC000785615424 876150284 /nfs/dbraw/zinc/15/02/84/876150284.db2.gz KFTJCNNHTCMIHP-RUZDIDTESA-N -1 1 398.462 3.740 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCCCCC#N)c2)c1 ZINC000171594486 876748678 /nfs/dbraw/zinc/74/86/78/876748678.db2.gz FSJRLJIXRNSTJC-UHFFFAOYSA-N -1 1 385.489 3.528 20 30 GHEDMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)CC1(C#N)CCCCC1 ZINC000851022268 877347901 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C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000024457634 883847951 /nfs/dbraw/zinc/84/79/51/883847951.db2.gz YFRMTHGUMWMJKO-UHFFFAOYSA-N -1 1 388.489 3.534 20 30 GHEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)OCCCCC#N)c1 ZINC000914616117 884337706 /nfs/dbraw/zinc/33/77/06/884337706.db2.gz OATDOSONXDRMMP-UHFFFAOYSA-N -1 1 390.436 3.786 20 30 GHEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(COc2ccc(F)cc2)o1 ZINC000127871491 885194186 /nfs/dbraw/zinc/19/41/86/885194186.db2.gz UNDFHAKBZDEBKV-GOSISDBHSA-N -1 1 378.359 3.959 20 30 GHEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2coc(Br)c2)cc1Cl ZINC000130362032 885703153 /nfs/dbraw/zinc/70/31/53/885703153.db2.gz GHOACPSISNMCOG-SNVBAGLBSA-N -1 1 397.612 3.665 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O[C@H](C)CC)cc2)c1 ZINC000057123653 886472550 /nfs/dbraw/zinc/47/25/50/886472550.db2.gz PPAXZWSJDKNCNL-OAHLLOKOSA-N -1 1 388.489 3.581 20 30 GHEDMM C=C(C)Cn1c(CC2CC2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000670232877 887784636 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ZINC000566009183 896045790 /nfs/dbraw/zinc/04/57/90/896045790.db2.gz HBHKIHBXWPMRQV-CYBMUJFWSA-N -1 1 395.488 3.618 20 30 GHEDMM C[C@@H]1CC2(CN1C(=O)c1cc([O-])cc(C#N)c1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000819752292 896979107 /nfs/dbraw/zinc/97/91/07/896979107.db2.gz QWWXJCZZGOSFAV-OAHLLOKOSA-N -1 1 399.491 3.516 20 30 GHEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)cc1Cl ZINC001186098392 914304184 /nfs/dbraw/zinc/30/41/84/914304184.db2.gz FHPDPDSIQJWKGF-NSHDSACASA-N -1 1 377.853 3.726 20 30 GHEDMM N#Cc1ccc(Sc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1C(F)(F)F ZINC000826385940 899128969 /nfs/dbraw/zinc/12/89/69/899128969.db2.gz IKYYNLWTXKYYPL-UHFFFAOYSA-N -1 1 382.758 3.957 20 30 GHEDMM N#Cc1ccc(Sc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1C(F)(F)F ZINC000826385940 899128972 /nfs/dbraw/zinc/12/89/72/899128972.db2.gz IKYYNLWTXKYYPL-UHFFFAOYSA-N -1 1 382.758 3.957 20 30 GHEDMM CCCCc1ncc(CN2CCC(S)CC2)n1Cc1ccc(C(=O)[O-])cc1 ZINC001143752654 900483403 /nfs/dbraw/zinc/48/34/03/900483403.db2.gz YYLHUJKZDPVUIR-UHFFFAOYSA-N -1 1 387.549 3.866 20 30 GHEDMM N#CC(C(=O)COc1cccc(Br)c1)=C([O-])C1(c2ccccc2)CC1 ZINC000845837578 902448608 /nfs/dbraw/zinc/44/86/08/902448608.db2.gz QKDWWNDKEYFUKE-KRWDZBQOSA-N -1 1 398.256 3.838 20 30 GHEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1-c1cccc(Cl)c1 ZINC000429570563 904885280 /nfs/dbraw/zinc/88/52/80/904885280.db2.gz BDFJWJNCWHZTGW-HNNXBMFYSA-N -1 1 390.834 3.904 20 30 GHEDMM N#CC(=C([O-])c1cnc(OCC2CC2)c(Cl)c1)c1cnc2ccccc2n1 ZINC000190928997 906447787 /nfs/dbraw/zinc/44/77/87/906447787.db2.gz SJLOJEFXEPUODB-AWEZNQCLSA-N -1 1 378.819 3.957 20 30 GHEDMM N#C[C@H](C(=O)Nc1ccc(Cl)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000179472416 906508754 /nfs/dbraw/zinc/50/87/54/906508754.db2.gz KTZZCVRXVLOOCS-ZDUSSCGKSA-N -1 1 398.875 3.763 20 30 GHEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)cc1 ZINC000901599107 921386524 /nfs/dbraw/zinc/38/65/24/921386524.db2.gz SYVRZGQWNMLWDH-LJQANCHMSA-N -1 1 386.473 3.501 20 30 GHEDMM C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000901617200 921400772 /nfs/dbraw/zinc/40/07/72/921400772.db2.gz BXKDQIJBOUAJQD-CQSZACIVSA-N -1 1 382.489 3.672 20 30 GHEDMM CC(C)(C)OC(=O)N1CC2(C1)CCC(C(=O)Nc1ccc(C#N)cc1[O-])CC2 ZINC001181501797 910805033 /nfs/dbraw/zinc/80/50/33/910805033.db2.gz KEBDCNKJIVBTQY-UHFFFAOYSA-N -1 1 385.464 3.630 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C2CC2)c1 ZINC000901972506 921780857 /nfs/dbraw/zinc/78/08/57/921780857.db2.gz DEZUXSXIENDREI-UHFFFAOYSA-N -1 1 381.457 3.511 20 30 GHEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3C3CC3)cc21 ZINC000901972452 921781086 /nfs/dbraw/zinc/78/10/86/921781086.db2.gz AXVJXXDQVJNATO-UHFFFAOYSA-N -1 1 395.484 3.536 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)c1 ZINC001188587599 916066728 /nfs/dbraw/zinc/06/67/28/916066728.db2.gz VAXUMBXEMRAWTO-UHFFFAOYSA-N -1 1 386.473 3.672 20 30 GHEDMM COc1cc([O-])c(C(=O)Nc2nc(-c3ccc(C#N)s3)cs2)c(OC)c1 ZINC001190122480 917141586 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N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)(F)F)ccc3c2)c1 ZINC001259125352 1044971959 /nfs/dbraw/zinc/97/19/59/1044971959.db2.gz XADHWPTUDGPCAT-UHFFFAOYSA-N -1 1 377.347 3.926 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)c1 ZINC001259125404 1044972206 /nfs/dbraw/zinc/97/22/06/1044972206.db2.gz ZPFVUSPTPKZYQY-UHFFFAOYSA-N -1 1 393.346 3.632 20 30 GHEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(F)c1 ZINC001259470018 1045183090 /nfs/dbraw/zinc/18/30/90/1045183090.db2.gz SFDIQHPECXMPAT-UHFFFAOYSA-N -1 1 387.791 3.762 20 30 GHEDMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c2ccccc21 ZINC001462938466 1070675198 /nfs/dbraw/zinc/67/51/98/1070675198.db2.gz UYYJFCJBDUVMPW-QGZVFWFLSA-N -1 1 376.428 3.927 20 30 GHEDMM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1F ZINC001261011266 1045831654 /nfs/dbraw/zinc/83/16/54/1045831654.db2.gz LUAMKSFIJDBACV-UHFFFAOYSA-N -1 1 398.259 3.934 20 30 GHEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccc(F)cc1 ZINC001261012626 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IBSKRKXQMQUGIV-UHFFFAOYSA-N -1 1 386.464 3.750 20 30 GHEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@H](COCC)C1 ZINC001356599206 1057565479 /nfs/dbraw/zinc/56/54/79/1057565479.db2.gz QSBQVVSCHQMUEJ-AWEZNQCLSA-N -1 1 391.903 3.528 20 30 GHEDMM O=S1(=O)[N-]/C(=N/CC2(c3cccc(F)c3F)CCCC2)c2ccccc21 ZINC001339007154 1058921460 /nfs/dbraw/zinc/92/14/60/1058921460.db2.gz OWGYJGTYJHPUEH-UHFFFAOYSA-N -1 1 376.428 3.515 20 30 GHEDMM CC(C)C(C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F)C(C)C ZINC001463566010 1064465538 /nfs/dbraw/zinc/46/55/38/1064465538.db2.gz XPDSRHCMZJBKJV-UHFFFAOYSA-N -1 1 391.306 3.666 20 30 GHEDMM N#Cc1cc(NC(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)ccc1F ZINC001464752310 1065191425 /nfs/dbraw/zinc/19/14/25/1065191425.db2.gz KADGNBGZLWDYIX-UHFFFAOYSA-N -1 1 391.280 3.690 20 30 GHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OCC(F)(F)F)o2)cc1 ZINC000847622806 1065777323 /nfs/dbraw/zinc/77/73/23/1065777323.db2.gz AJJYGTWJQGIXHZ-CYBMUJFWSA-N -1 1 380.322 3.744 20 30 GHEDMM COc1ccccc1C(F)(F)C(=O)[N-]CC#Cc1cccc(C(F)(F)F)c1 ZINC001353681881 1066132243 /nfs/dbraw/zinc/13/22/43/1066132243.db2.gz QFLWLGNFHBJCNC-UHFFFAOYSA-N -1 1 383.316 3.974 20 30 GHEDMM N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001474489131 1074429390 /nfs/dbraw/zinc/42/93/90/1074429390.db2.gz VIBRBAJZVNSSRD-MRXNPFEDSA-N -1 1 377.822 3.706 20 30 GHEDMM COc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1OC1CCCC1 ZINC000832553641 601305500 /nfs/dbraw/zinc/30/55/00/601305500.db2.gz CPWHCMYVALPBHK-FQEVSTJZSA-N -1 1 380.444 3.804 20 30 GHEDMM C=CCOc1ccc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1OC ZINC000833378162 604673371 /nfs/dbraw/zinc/67/33/71/604673371.db2.gz ZGJZXBFIKWCREU-IBGZPJMESA-N -1 1 395.377 3.935 20 30 GHEDMM C=CCOc1ccc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1OC ZINC000833378190 604673479 /nfs/dbraw/zinc/67/34/79/604673479.db2.gz ZGJZXBFIKWCREU-LJQANCHMSA-N -1 1 395.377 3.935 20 30 GHEDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000833421655 604945617 /nfs/dbraw/zinc/94/56/17/604945617.db2.gz WMQFKRYZSYNZMZ-MRXNPFEDSA-N -1 1 381.476 3.560 20 30 GHEDMM COc1ccc([C@H](C)C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000821777664 606166133 /nfs/dbraw/zinc/16/61/33/606166133.db2.gz KUBPFFVNTNTQCI-LLVKDONJSA-N -1 1 383.456 3.752 20 30 GHEDMM N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822819163 606515317 /nfs/dbraw/zinc/51/53/17/606515317.db2.gz MDIMKSHMLIVLSF-UHFFFAOYSA-N -1 1 378.442 3.781 20 30 GHEDMM N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822819163 606515318 /nfs/dbraw/zinc/51/53/18/606515318.db2.gz MDIMKSHMLIVLSF-UHFFFAOYSA-N -1 1 378.442 3.781 20 30 GHEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)c1 ZINC000822837182 606557637 /nfs/dbraw/zinc/55/76/37/606557637.db2.gz IRIZRCSIYHJRSZ-UHFFFAOYSA-N -1 1 388.412 3.844 20 30 GHEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)c1 ZINC000822837182 606557639 /nfs/dbraw/zinc/55/76/39/606557639.db2.gz IRIZRCSIYHJRSZ-UHFFFAOYSA-N -1 1 388.412 3.844 20 30 GHEDMM COc1cc(C#N)ccc1Oc1ccc(Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826176853 607898193 /nfs/dbraw/zinc/89/81/93/607898193.db2.gz HKHAQANOZLEPBC-UHFFFAOYSA-N -1 1 385.387 3.678 20 30 GHEDMM COc1cc(C#N)ccc1Oc1ccc(Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826176853 607898194 /nfs/dbraw/zinc/89/81/94/607898194.db2.gz HKHAQANOZLEPBC-UHFFFAOYSA-N -1 1 385.387 3.678 20 30 GHEDMM C=C(C)[C@@H](CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)OCC ZINC000823874006 607903473 /nfs/dbraw/zinc/90/34/73/607903473.db2.gz QXRBJUUFUZPCCR-MRXNPFEDSA-N -1 1 397.504 3.583 20 30 GHEDMM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826399632 608093708 /nfs/dbraw/zinc/09/37/08/608093708.db2.gz AVRICONFCOPEOS-RJRFIUFISA-N -1 1 379.214 3.726 20 30 GHEDMM O=C(C=Cc1cc(Br)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826399632 608093709 /nfs/dbraw/zinc/09/37/09/608093709.db2.gz AVRICONFCOPEOS-RJRFIUFISA-N -1 1 379.214 3.726 20 30 GHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H](OCc3ccccc3)C2(C)C)o1 ZINC000824352545 609159583 /nfs/dbraw/zinc/15/95/83/609159583.db2.gz IASWEOQUVSOBQM-HNNXBMFYSA-N -1 1 395.467 3.761 20 30 GHEDMM COc1ccc(O)c(/C=N\Cc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000255623786 835305942 /nfs/dbraw/zinc/30/59/42/835305942.db2.gz ULCJVHUYIHADJV-JCMHNJIXSA-N -1 1 396.468 3.821 20 30 GHEDMM CC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000122179565 837921676 /nfs/dbraw/zinc/92/16/76/837921676.db2.gz MPBYRWJYGPEVQD-CYBMUJFWSA-N -1 1 396.827 3.739 20 30 GHEDMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Br ZINC000187816423 837974409 /nfs/dbraw/zinc/97/44/09/837974409.db2.gz OLVCRTZEILCMKA-UHFFFAOYSA-N -1 1 381.251 3.520 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1C(F)(F)F ZINC000177928263 838249722 /nfs/dbraw/zinc/24/97/22/838249722.db2.gz CTZBUDDBJSXPBG-UHFFFAOYSA-N -1 1 392.362 3.768 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC3(C#N)CCC3)ccc2C)c1 ZINC000416357946 839042712 /nfs/dbraw/zinc/04/27/12/839042712.db2.gz ITEDJFKFCTZARR-UHFFFAOYSA-N -1 1 397.500 3.528 20 30 GHEDMM Cc1ccc(NC(=O)[C@H](C)C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000510358800 840436618 /nfs/dbraw/zinc/43/66/18/840436618.db2.gz ADSOZZSHBPSYGO-GFCCVEGCSA-N -1 1 377.853 3.547 20 30 GHEDMM N#CCCn1ncc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1-c1ccccc1 ZINC000430665140 842377966 /nfs/dbraw/zinc/37/79/66/842377966.db2.gz QFMRZFSSYMRWRN-UHFFFAOYSA-N -1 1 388.456 3.590 20 30 GHEDMM C=C[C@](C)(CCOC)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000187141813 842925965 /nfs/dbraw/zinc/92/59/65/842925965.db2.gz ROBWFHTYYCIGME-HXUWFJFHSA-N -1 1 388.489 3.655 20 30 GHEDMM C=CCN(C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(C)C ZINC000728868389 843290034 /nfs/dbraw/zinc/29/00/34/843290034.db2.gz JPSLZOBVUUUBID-UHFFFAOYSA-N -1 1 390.480 3.592 20 30 GHEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)nc2)cc1 ZINC000603988455 861513114 /nfs/dbraw/zinc/51/31/14/861513114.db2.gz WHAGQVKKHUTRKA-UHFFFAOYSA-N -1 1 395.440 3.945 20 30 GHEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(COc2ccc(F)cc2)o1 ZINC000127871272 847598199 /nfs/dbraw/zinc/59/81/99/847598199.db2.gz UNDFHAKBZDEBKV-SFHVURJKSA-N -1 1 378.359 3.959 20 30 GHEDMM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000728508470 848134561 /nfs/dbraw/zinc/13/45/61/848134561.db2.gz SOBNLYHOZPMORH-UHFFFAOYSA-N -1 1 395.893 3.786 20 30 GHEDMM C#Cc1ccc(-c2nc(-c3cc(Br)c([O-])c(OCC)c3)no2)cn1 ZINC000731792826 861875095 /nfs/dbraw/zinc/87/50/95/861875095.db2.gz GFGUWYJSISDZTP-UHFFFAOYSA-N -1 1 386.205 3.647 20 30 GHEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)C1 ZINC000425188117 849756403 /nfs/dbraw/zinc/75/64/03/849756403.db2.gz IGPTVEWPHVZUNU-JGVFFNPUSA-N -1 1 398.109 3.726 20 30 GHEDMM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000435591664 850679012 /nfs/dbraw/zinc/67/90/12/850679012.db2.gz GUXFWPMNWKMEQB-NOZJJQNGSA-N -1 1 384.712 3.906 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CC[C@H](C#N)C3)c2)c1 ZINC000424970436 850831075 /nfs/dbraw/zinc/83/10/75/850831075.db2.gz MLWMECUMLCFXHN-DLBZAZTESA-N -1 1 397.500 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ZINC000126601553 853007590 /nfs/dbraw/zinc/00/75/90/853007590.db2.gz VQVZHJSFFYIFQY-ZDUSSCGKSA-N -1 1 380.372 3.702 20 30 GHEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(NC(N)=O)c3)n2)cc1 ZINC000518516532 853434974 /nfs/dbraw/zinc/43/49/74/853434974.db2.gz JKRKAFDAVYLLCM-INIZCTEOSA-N -1 1 392.440 3.799 20 30 GHEDMM COCCOc1c(Cl)cc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000589197096 854743171 /nfs/dbraw/zinc/74/31/71/854743171.db2.gz FYDKGDKTUAOXHB-UHFFFAOYSA-N -1 1 381.215 3.848 20 30 GHEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1nc2ccccc2n1C(F)F ZINC000572894520 855036498 /nfs/dbraw/zinc/03/64/98/855036498.db2.gz ONTXLKUQHBMKRT-LLVKDONJSA-N -1 1 378.342 3.707 20 30 GHEDMM CCOc1cc(Br)c(F)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589981589 855229281 /nfs/dbraw/zinc/22/92/81/855229281.db2.gz CDQVCLVIZSMYRO-UHFFFAOYSA-N -1 1 379.185 3.816 20 30 GHEDMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000055632878 855362102 /nfs/dbraw/zinc/36/21/02/855362102.db2.gz XJJIEMRJWBFAAI-UHFFFAOYSA-N -1 1 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N#Cc1cc([O-])cc(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)c1 ZINC000809767546 887754405 /nfs/dbraw/zinc/75/44/05/887754405.db2.gz NPVKHOJEWKVBAJ-UHFFFAOYSA-N -1 1 391.652 3.878 20 30 GHEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000614843711 887945049 /nfs/dbraw/zinc/94/50/49/887945049.db2.gz LFQIUQCDMLFANU-UHFFFAOYSA-N -1 1 386.098 3.584 20 30 GHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)c1 ZINC000747612596 888689436 /nfs/dbraw/zinc/68/94/36/888689436.db2.gz WBFIRSZHLBGMLL-FMIVXFBMSA-N -1 1 387.457 3.629 20 30 GHEDMM N#Cc1cccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)n1 ZINC000810602477 888695992 /nfs/dbraw/zinc/69/59/92/888695992.db2.gz JNCLUKAEBOIMRV-UHFFFAOYSA-N -1 1 388.408 3.688 20 30 GHEDMM CCN(Cc1ccccc1)c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000916137310 888758876 /nfs/dbraw/zinc/75/88/76/888758876.db2.gz QHPUELOWLUMSAC-OVTQYCMBSA-N -1 1 389.451 3.941 20 30 GHEDMM CCCCCN1c2ccccc2C(=N[N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000916246212 888868463 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GHEDMM CC[C@](C)(C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000127459209 891071219 /nfs/dbraw/zinc/07/12/19/891071219.db2.gz RUMZCEBZAOKSDZ-HXUWFJFHSA-N -1 1 385.489 3.526 20 30 GHEDMM CCCCSCCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123843620 891074453 /nfs/dbraw/zinc/07/44/53/891074453.db2.gz JEFYKHBWHXUGGB-ZDUSSCGKSA-N -1 1 389.546 3.963 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C#N)C(C)(C)C)cc1 ZINC000154560949 892763557 /nfs/dbraw/zinc/76/35/57/892763557.db2.gz SOXHZROMXCYFCA-SFHVURJKSA-N -1 1 386.473 3.891 20 30 GHEDMM [O-]c1cc(F)c(Cl)cc1C=NN1C(=S)N=NC1COc1ccc(F)cc1 ZINC000814791896 893172350 /nfs/dbraw/zinc/17/23/50/893172350.db2.gz KFWOHIKXZLAWQN-UHFFFAOYSA-N -1 1 396.806 3.665 20 30 GHEDMM CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001185233589 913746456 /nfs/dbraw/zinc/74/64/56/913746456.db2.gz WTQADGVGVZAERW-JTQLQIEISA-N -1 1 377.279 3.707 20 30 GHEDMM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1scnc1C1CC1 ZINC000127839318 894261207 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GHEDMM CCCC(=O)Nc1ccc(O)c(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC000756905580 978702216 /nfs/dbraw/zinc/70/22/16/978702216.db2.gz DYVDAEIYQCPRDN-UHFFFAOYSA-N -1 1 385.420 3.674 20 30 GHEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OCC(F)(F)F)c1 ZINC000832935157 979057318 /nfs/dbraw/zinc/05/73/18/979057318.db2.gz XDPKYAFZPVEWGT-KRWDZBQOSA-N -1 1 378.350 3.723 20 30 GHEDMM CC[C@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2ccccc2Cl)ccc1OC ZINC001594725077 987226439 /nfs/dbraw/zinc/22/64/39/987226439.db2.gz KNYZSYFSAPOLFG-KUHUBIRLSA-N -1 1 388.851 3.945 20 30 GHEDMM COc1cc(Br)ccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599348935 998060255 /nfs/dbraw/zinc/06/02/55/998060255.db2.gz YLNXUBSFUFMCKA-DIFFPNOSSA-N -1 1 389.249 3.806 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(Br)c1 ZINC000469089759 1016457723 /nfs/dbraw/zinc/45/77/23/1016457723.db2.gz XGBOZKYWECLSHD-UHFFFAOYSA-N -1 1 394.294 3.862 20 30 GHEDMM N#CCCN(Cc1ccc(Cl)cc1)C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154555997 1032179540 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ZINC000127278113 842137843 /nfs/dbraw/zinc/13/78/43/842137843.db2.gz MRWKZIZAYUHKOR-UHFFFAOYSA-N -1 1 379.844 3.752 20 30 GHEDMM CC[C@@H](C#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000094079882 843289333 /nfs/dbraw/zinc/28/93/33/843289333.db2.gz GBWMUBLFZKWZCH-NSHDSACASA-N -1 1 392.242 3.983 20 30 GHEDMM Cc1cccnc1C=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000588456855 843368225 /nfs/dbraw/zinc/36/82/25/843368225.db2.gz RDELTQGQDCTZTI-CKXPSTMWSA-N -1 1 390.468 3.869 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc([C@@H]3CCCOC3)c2)n1 ZINC000500444206 843516014 /nfs/dbraw/zinc/51/60/14/843516014.db2.gz XSMCHLHXSVWCDK-CVEARBPZSA-N -1 1 384.457 3.704 20 30 GHEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000432948833 844717476 /nfs/dbraw/zinc/71/74/76/844717476.db2.gz MLBCZVINQAXFFA-AWEZNQCLSA-N -1 1 392.761 3.775 20 30 GHEDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)n1 ZINC000603983296 861503550 /nfs/dbraw/zinc/50/35/50/861503550.db2.gz RROPZSNVUHECJI-UHFFFAOYSA-N -1 1 388.836 3.679 20 30 GHEDMM N#CC(=C([O-])c1cccc(OCC(F)F)n1)c1nc2ccccc2n1C(F)F ZINC000179356601 861546398 /nfs/dbraw/zinc/54/63/98/861546398.db2.gz ZRMKZKIVHLFUNA-JTQLQIEISA-N -1 1 392.312 3.960 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2N2CCCCC2)cc1 ZINC000582758259 848309692 /nfs/dbraw/zinc/30/96/92/848309692.db2.gz ZYJLXZDOAFNNMV-UHFFFAOYSA-N -1 1 377.416 3.628 20 30 GHEDMM C=CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000135664603 848318873 /nfs/dbraw/zinc/31/88/73/848318873.db2.gz VWJNEXGWDWYQTK-UHFFFAOYSA-N -1 1 394.443 3.804 20 30 GHEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)nc(=O)c2c1C ZINC000121975472 848601060 /nfs/dbraw/zinc/60/10/60/848601060.db2.gz FCFZTSMCOAAPFS-JTQLQIEISA-N -1 1 390.827 3.640 20 30 GHEDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1C ZINC000435137498 850121181 /nfs/dbraw/zinc/12/11/81/850121181.db2.gz DNPNQINVPSFNEC-UHFFFAOYSA-N -1 1 389.433 3.671 20 30 GHEDMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000435179393 850191719 /nfs/dbraw/zinc/19/17/19/850191719.db2.gz VWRIHNKSOYJZEG-UHFFFAOYSA-N -1 1 384.379 3.914 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000439624123 850208660 /nfs/dbraw/zinc/20/86/60/850208660.db2.gz UPFKXVXFYJHXHI-UHFFFAOYSA-N -1 1 394.294 3.862 20 30 GHEDMM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC000506655018 850290892 /nfs/dbraw/zinc/29/08/92/850290892.db2.gz RPOZJECXCJXWJM-UHFFFAOYSA-N -1 1 395.440 3.863 20 30 GHEDMM CC(C)N(C)C(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435486737 850568462 /nfs/dbraw/zinc/56/84/62/850568462.db2.gz KFIKPGXILDVYFM-UHFFFAOYSA-N -1 1 397.909 3.554 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)ccc1C#N ZINC000435724814 850809423 /nfs/dbraw/zinc/80/94/23/850809423.db2.gz VOIUMKCPGRCJFG-UHFFFAOYSA-N -1 1 388.499 3.670 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H](C#N)C3)ccc2C)c1 ZINC000424964700 850828643 /nfs/dbraw/zinc/82/86/43/850828643.db2.gz DHOHIBNDADYUBT-FUHWJXTLSA-N -1 1 397.500 3.526 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)ccc1C#N ZINC000435758842 850854005 /nfs/dbraw/zinc/85/40/05/850854005.db2.gz HOOLLNCKWBLJPD-UHFFFAOYSA-N -1 1 379.441 3.642 20 30 GHEDMM CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2s1 ZINC000513820462 850912264 /nfs/dbraw/zinc/91/22/64/850912264.db2.gz PUPBJKGGMHBPFR-UHFFFAOYSA-N -1 1 386.454 3.750 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC3(CC#N)CC3)cc2)c1C ZINC000435952958 851018803 /nfs/dbraw/zinc/01/88/03/851018803.db2.gz MNYKHVVLAQUUDT-UHFFFAOYSA-N -1 1 397.500 3.528 20 30 GHEDMM C=CCOc1ccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cc1OC ZINC000473656888 851442562 /nfs/dbraw/zinc/44/25/62/851442562.db2.gz IPLRZSPKXARNDE-UHFFFAOYSA-N -1 1 385.370 3.603 20 30 GHEDMM C=C[C@](C)(CCOC)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436874865 852440556 /nfs/dbraw/zinc/44/05/56/852440556.db2.gz SGZFLGKFHIDLRX-MRXNPFEDSA-N -1 1 383.242 3.694 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)o1 ZINC000151377175 853359758 /nfs/dbraw/zinc/35/97/58/853359758.db2.gz KTVPMOCXFSMURE-BAABZTOOSA-N -1 1 392.251 3.952 20 30 GHEDMM N#CC(=C([O-])c1ccc(C2=CCCC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000519727609 853411475 /nfs/dbraw/zinc/41/14/75/853411475.db2.gz AWYPQDWIVHZBAU-IBGZPJMESA-N -1 1 396.454 3.507 20 30 GHEDMM COc1cccc(Cn2c(NC(=O)c3cc([O-])cc(C#N)c3)nc3ccccc32)c1 ZINC000589178189 854719711 /nfs/dbraw/zinc/71/97/11/854719711.db2.gz DZTXOFCRMGOAJK-UHFFFAOYSA-N -1 1 398.422 3.923 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3F)c(F)c2)o1 ZINC000553500425 855084998 /nfs/dbraw/zinc/08/49/98/855084998.db2.gz ZNXYASRLFFHUPJ-UHFFFAOYSA-N -1 1 390.367 3.700 20 30 GHEDMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1F ZINC000055592767 855355061 /nfs/dbraw/zinc/35/50/61/855355061.db2.gz FNVCCCHVYXOCIW-UHFFFAOYSA-N -1 1 399.403 3.652 20 30 GHEDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000174068015 857204887 /nfs/dbraw/zinc/20/48/87/857204887.db2.gz PNLNTYXAVDGQNA-NSHDSACASA-N -1 1 394.884 3.682 20 30 GHEDMM Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)c2)n[nH]1 ZINC000593206072 857396228 /nfs/dbraw/zinc/39/62/28/857396228.db2.gz GJXLLYPUWSGECD-UHFFFAOYSA-N -1 1 395.488 3.691 20 30 GHEDMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc(Cl)c1OC ZINC000593218632 857435605 /nfs/dbraw/zinc/43/56/05/857435605.db2.gz XEHIMJJQWNPUOC-UHFFFAOYSA-N -1 1 394.880 3.959 20 30 GHEDMM Cc1cnc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c([O-])c1 ZINC000330330077 862913264 /nfs/dbraw/zinc/91/32/64/862913264.db2.gz WTYMDJQYZHMQIR-OAHLLOKOSA-N -1 1 397.479 3.617 20 30 GHEDMM C=CCCC1(C[N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CCCC1 ZINC001212482804 857786220 /nfs/dbraw/zinc/78/62/20/857786220.db2.gz KOAJLXSGIQYOIG-XMMPIXPASA-N -1 1 388.530 3.643 20 30 GHEDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000521328311 857860553 /nfs/dbraw/zinc/86/05/53/857860553.db2.gz NANKDKWTOMPCTL-SNVBAGLBSA-N -1 1 396.515 3.950 20 30 GHEDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000521328310 857860874 /nfs/dbraw/zinc/86/08/74/857860874.db2.gz NANKDKWTOMPCTL-JTQLQIEISA-N -1 1 396.515 3.950 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000114673639 858159267 /nfs/dbraw/zinc/15/92/67/858159267.db2.gz AMGVOGMUFYDTMF-UHFFFAOYSA-N -1 1 388.499 3.670 20 30 GHEDMM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594720378 858263086 /nfs/dbraw/zinc/26/30/86/858263086.db2.gz KTMABYIIXLZSFR-ZETCQYMHSA-N -1 1 386.098 3.726 20 30 GHEDMM Cc1cnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)[n-]c1=O ZINC000594897255 858298176 /nfs/dbraw/zinc/29/81/76/858298176.db2.gz LXBWTZTWEHCECK-LLVKDONJSA-N -1 1 388.518 3.812 20 30 GHEDMM CC[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000183927748 858840431 /nfs/dbraw/zinc/84/04/31/858840431.db2.gz QKGXZJSMHPTTDX-MRXNPFEDSA-N -1 1 385.489 3.526 20 30 GHEDMM Cc1ccc(S(=O)(=O)n2ccc(C(=O)/C=C\c3ccc([O-])c(F)c3)c2)cc1 ZINC000761198324 859063491 /nfs/dbraw/zinc/06/34/91/859063491.db2.gz HIOQZOKGUVJEHK-YWEYNIOJSA-N -1 1 385.416 3.774 20 30 GHEDMM N#Cc1cc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000764309934 859380972 /nfs/dbraw/zinc/38/09/72/859380972.db2.gz HLSDLLZSXABEAG-UHFFFAOYSA-N -1 1 381.131 3.934 20 30 GHEDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1Br ZINC000160995794 859464023 /nfs/dbraw/zinc/46/40/23/859464023.db2.gz KUUFRPNFBXOIID-UHFFFAOYSA-N -1 1 395.278 3.829 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC3(CC#N)CC3)c2)cc1 ZINC000761230984 859656300 /nfs/dbraw/zinc/65/63/00/859656300.db2.gz JTIYRYCREBKHQM-UHFFFAOYSA-N -1 1 398.484 3.955 20 30 GHEDMM COc1ccc(NC(=S)NN=Cc2cccc(Br)c2[O-])cc1F ZINC000727261231 860018380 /nfs/dbraw/zinc/01/83/80/860018380.db2.gz XGXDVGNHRXWIAA-UHFFFAOYSA-N -1 1 398.257 3.623 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000392483017 860773595 /nfs/dbraw/zinc/77/35/95/860773595.db2.gz KUSAATVTWKLBMF-UHFFFAOYSA-N -1 1 376.743 3.911 20 30 GHEDMM Cc1cc(C)n(Cc2cccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c2)n1 ZINC000607722430 864693657 /nfs/dbraw/zinc/69/36/57/864693657.db2.gz MJKFIPFFNCMEEQ-GOSISDBHSA-N -1 1 384.443 3.618 20 30 GHEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737316772 865390752 /nfs/dbraw/zinc/39/07/52/865390752.db2.gz NSMCOLCOEKTALO-LBPRGKRZSA-N -1 1 378.171 3.863 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCC#N)C(C)C)c2)c1 ZINC000608813804 865719858 /nfs/dbraw/zinc/71/98/58/865719858.db2.gz GKBHPHYZOGFIKK-UHFFFAOYSA-N -1 1 385.489 3.560 20 30 GHEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)o3)n2)c1 ZINC000127184814 866049747 /nfs/dbraw/zinc/04/97/47/866049747.db2.gz AOIIMTAUCYTRBW-AWEZNQCLSA-N -1 1 381.413 3.681 20 30 GHEDMM N#Cc1cnc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c(Cl)c1 ZINC000444389174 866055861 /nfs/dbraw/zinc/05/58/61/866055861.db2.gz AILJRKYWJATQAL-UHFFFAOYSA-N -1 1 398.850 3.627 20 30 GHEDMM C=CCN(Cc1cccs1)C(=O)[C@H](C)Sc1nc(CCC)cc(=O)[n-]1 ZINC000667845729 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20 30 GHEDMM N#Cc1cccnc1NCc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001472317187 1073417649 /nfs/dbraw/zinc/41/76/49/1073417649.db2.gz YVQMTFMEEZYDMB-UHFFFAOYSA-N -1 1 392.846 3.854 20 30 GHEDMM N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000015738944 210168195 /nfs/dbraw/zinc/16/81/95/210168195.db2.gz YIUVYIJKLDLYAF-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM C[C@H](CC#N)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735963342 599199008 /nfs/dbraw/zinc/19/90/08/599199008.db2.gz DQNBFVKEBCKBIL-GFCCVEGCSA-N -1 1 396.838 3.687 20 30 GHEDMM C[C@H](C#N)CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735501992 599199078 /nfs/dbraw/zinc/19/90/78/599199078.db2.gz AZODOGPZPKDTMN-GFCCVEGCSA-N -1 1 396.838 3.544 20 30 GHEDMM CCC[C@@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000736416089 599200198 /nfs/dbraw/zinc/20/01/98/599200198.db2.gz KJOAPRGQECKSJU-ZDUSSCGKSA-N -1 1 396.838 3.734 20 30 GHEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000820832880 599337349 /nfs/dbraw/zinc/33/73/49/599337349.db2.gz PBNTULVBAGYVRY-UHFFFAOYSA-N -1 1 375.383 3.558 20 30 GHEDMM C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000518742079 600682143 /nfs/dbraw/zinc/68/21/43/600682143.db2.gz TZSWXYHRMSIXQB-SNVBAGLBSA-N -1 1 382.488 3.641 20 30 GHEDMM C[C@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)c1cccc(C#N)c1 ZINC000833616368 605124161 /nfs/dbraw/zinc/12/41/61/605124161.db2.gz BLEACHJAJKDAQJ-OLZOCXBDSA-N -1 1 397.500 3.732 20 30 GHEDMM COc1ccc([C@H](C)C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1 ZINC000821777948 606166237 /nfs/dbraw/zinc/16/62/37/606166237.db2.gz PMDSTSCOUDCDEM-GFCCVEGCSA-N -1 1 383.456 3.653 20 30 GHEDMM C=C(C)CN(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823872908 609347484 /nfs/dbraw/zinc/34/74/84/609347484.db2.gz FOIQCIIUCNVRKX-UHFFFAOYSA-N -1 1 383.839 3.961 20 30 GHEDMM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000654896176 834758468 /nfs/dbraw/zinc/75/84/68/834758468.db2.gz GLYFJYFMFYWLEA-INIZCTEOSA-N 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ZINC000431245234 844269477 /nfs/dbraw/zinc/26/94/77/844269477.db2.gz IWVGAPPWFRYZGT-UHFFFAOYSA-N -1 1 395.440 3.821 20 30 GHEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)cc1[O-] ZINC000189196603 838242733 /nfs/dbraw/zinc/24/27/33/838242733.db2.gz UVESEZDSUJSMMM-CQSZACIVSA-N -1 1 386.276 3.899 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1 ZINC000614368218 844309794 /nfs/dbraw/zinc/30/97/94/844309794.db2.gz FNQXZRRAVFVNOQ-UHFFFAOYSA-N -1 1 397.232 3.523 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)c1 ZINC000614375285 844319731 /nfs/dbraw/zinc/31/97/31/844319731.db2.gz WDHDJQPYUZULOV-UHFFFAOYSA-N -1 1 397.232 3.523 20 30 GHEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2CC#N)cc1C ZINC000580156497 838981824 /nfs/dbraw/zinc/98/18/24/838981824.db2.gz KJXWFRYVGTXRME-UHFFFAOYSA-N -1 1 394.880 3.541 20 30 GHEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(O[C@@H](C)CC)c2)cc1 ZINC000656618065 841577001 /nfs/dbraw/zinc/57/70/01/841577001.db2.gz SPNAEZKXMMAQEB-HNNXBMFYSA-N -1 1 388.489 3.581 20 30 GHEDMM CCCCCCC[N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F ZINC001213188968 841866319 /nfs/dbraw/zinc/86/63/19/841866319.db2.gz INOICGCCYDIBPR-QHCPKHFHSA-N -1 1 386.461 3.838 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3ccc(F)cc3)cc2)c(=O)o1 ZINC000255360655 842010236 /nfs/dbraw/zinc/01/02/36/842010236.db2.gz HOPKNHHFOJXKJR-JLXOPUERSA-N -1 1 380.371 3.633 20 30 GHEDMM C=CCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000008294886 842037457 /nfs/dbraw/zinc/03/74/57/842037457.db2.gz VQGCTRODUPDBRO-UHFFFAOYSA-N -1 1 399.299 3.639 20 30 GHEDMM N#CC(=C([O-])c1cccc(C(F)(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391298 842492610 /nfs/dbraw/zinc/49/26/10/842492610.db2.gz RCZFHEWTQVHTTD-CQSZACIVSA-N -1 1 398.348 3.706 20 30 GHEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c2ccccc12 ZINC000182289156 842515935 /nfs/dbraw/zinc/51/59/35/842515935.db2.gz YGFMVCBTCDYHIP-UHFFFAOYSA-N -1 1 379.441 3.665 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C#N)C3CC3)cc2)cc1C ZINC000176069289 843170290 /nfs/dbraw/zinc/17/02/90/843170290.db2.gz JOHHGAFWHULZBC-IBGZPJMESA-N -1 1 384.457 3.563 20 30 GHEDMM Cc1ccc(NC(=O)C#Cc2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000176022562 843309138 /nfs/dbraw/zinc/30/91/38/843309138.db2.gz PANIVYARYGBNNS-UHFFFAOYSA-N -1 1 390.464 3.786 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1Br ZINC000432763904 843747952 /nfs/dbraw/zinc/74/79/52/843747952.db2.gz RTWLZGXFJBVVPT-UHFFFAOYSA-N -1 1 396.653 3.647 20 30 GHEDMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1C ZINC000432781723 843810721 /nfs/dbraw/zinc/81/07/21/843810721.db2.gz SLFYKKWPUICSBN-UHFFFAOYSA-N -1 1 395.278 3.747 20 30 GHEDMM C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000028492109 861471974 /nfs/dbraw/zinc/47/19/74/861471974.db2.gz LWINJWRASAKUIU-UHFFFAOYSA-N -1 1 390.892 3.955 20 30 GHEDMM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000614325717 843992019 /nfs/dbraw/zinc/99/20/19/843992019.db2.gz GQRJGUHIQOIHSS-UHFFFAOYSA-N -1 1 385.228 3.673 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cc1Cl ZINC000603975362 861523585 /nfs/dbraw/zinc/52/35/85/861523585.db2.gz UOYUPRMQGIYNLH-UHFFFAOYSA-N -1 1 390.770 3.954 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(O[C@H]3CC3(F)F)cc2)n1 ZINC000599724036 861553091 /nfs/dbraw/zinc/55/30/91/861553091.db2.gz BBNFUZMPJWRQOT-JSGCOSHPSA-N -1 1 392.383 3.596 20 30 GHEDMM N#C[C@@H](C(=O)CC1CCSCC1)c1nc(=O)c2c([n-]1)sc1c2CCCC1 ZINC000134965926 846400913 /nfs/dbraw/zinc/40/09/13/846400913.db2.gz LRDWLAQQCXYRKM-ZDUSSCGKSA-N -1 1 387.530 3.573 20 30 GHEDMM C[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000023416425 847026317 /nfs/dbraw/zinc/02/63/17/847026317.db2.gz SBINNPKRNZJOIS-SNVBAGLBSA-N -1 1 399.255 3.863 20 30 GHEDMM Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nc1C ZINC000420234602 847066742 /nfs/dbraw/zinc/06/67/42/847066742.db2.gz OAJFSBKIOWPDHH-ZDUSSCGKSA-N -1 1 378.457 3.778 20 30 GHEDMM Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nc1C ZINC000420234601 847066814 /nfs/dbraw/zinc/06/68/14/847066814.db2.gz OAJFSBKIOWPDHH-CYBMUJFWSA-N -1 1 378.457 3.778 20 30 GHEDMM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000158775920 849725344 /nfs/dbraw/zinc/72/53/44/849725344.db2.gz RZTHLNYLPSADIL-UHFFFAOYSA-N -1 1 382.470 3.609 20 30 GHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1C#N ZINC000435129568 850108775 /nfs/dbraw/zinc/10/87/75/850108775.db2.gz KQIDQBQJIPFELA-UHFFFAOYSA-N -1 1 395.278 3.909 20 30 GHEDMM CCC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000522589909 862113608 /nfs/dbraw/zinc/11/36/08/862113608.db2.gz TYFCSXTZPXAMFF-SFHVURJKSA-N -1 1 385.489 3.526 20 30 GHEDMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121196269 862116781 /nfs/dbraw/zinc/11/67/81/862116781.db2.gz PFNHLURDFGWUGJ-UHFFFAOYSA-N -1 1 392.868 3.542 20 30 GHEDMM C=CCCC[C@H](NC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)C(=O)[O-] ZINC000908757954 850335103 /nfs/dbraw/zinc/33/51/03/850335103.db2.gz WQDCJBRPZDIKCP-ZWKOTPCHSA-N 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Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)OCCCCC#N)cc1 ZINC000785455319 856667460 /nfs/dbraw/zinc/66/74/60/856667460.db2.gz QZMUVROCIVKFTA-UHFFFAOYSA-N -1 1 390.436 3.786 20 30 GHEDMM N#Cc1c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)nc2cc(Cl)ccn21 ZINC000672241763 856955312 /nfs/dbraw/zinc/95/53/12/856955312.db2.gz DCAHGYKPOCJYKG-UHFFFAOYSA-N -1 1 380.835 3.664 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000008033425 857057460 /nfs/dbraw/zinc/05/74/60/857057460.db2.gz PZOIYVSGLZTTGJ-UHFFFAOYSA-N -1 1 391.452 3.920 20 30 GHEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593198176 857387425 /nfs/dbraw/zinc/38/74/25/857387425.db2.gz JBQBEULULZWSMQ-UHFFFAOYSA-N -1 1 385.489 3.946 20 30 GHEDMM Cc1cc(N=C([O-])Nc2ncc(-c3ccc(C)cc3C)s2)nn1CCC#N ZINC000593213581 857403277 /nfs/dbraw/zinc/40/32/77/857403277.db2.gz PJUTUYHLVOKWSO-UHFFFAOYSA-N -1 1 380.477 3.911 20 30 GHEDMM C=C(C)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000058793209 857609191 /nfs/dbraw/zinc/60/91/91/857609191.db2.gz OCTPSXAWLFIHCQ-UHFFFAOYSA-N -1 1 375.446 3.619 20 30 GHEDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2O1 ZINC000442845438 858164230 /nfs/dbraw/zinc/16/42/30/858164230.db2.gz NAIXYKGEZCNWFI-QGZVFWFLSA-N -1 1 378.837 3.910 20 30 GHEDMM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594723354 858264132 /nfs/dbraw/zinc/26/41/32/858264132.db2.gz MVNCRNPWLOXEEI-JTQLQIEISA-N -1 1 386.098 3.582 20 30 GHEDMM N#Cc1ccc(C(=O)NCc2ccc(Br)cc2C(F)(F)F)cc1[O-] ZINC000443055362 858340969 /nfs/dbraw/zinc/34/09/69/858340969.db2.gz XGBGQQMFQWUCDZ-UHFFFAOYSA-N -1 1 399.166 3.975 20 30 GHEDMM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ncc(-c2ccccc2)o1 ZINC000184893390 858406478 /nfs/dbraw/zinc/40/64/78/858406478.db2.gz NDKLJPPTGQAVKN-GFCCVEGCSA-N -1 1 387.848 3.906 20 30 GHEDMM N#Cc1ccc(OC(=O)c2cccc(Cl)c2[O-])c(I)c1 ZINC001128447445 858522364 /nfs/dbraw/zinc/52/23/64/858522364.db2.gz SADHCIISWWYYAF-UHFFFAOYSA-N -1 1 399.571 3.741 20 30 GHEDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000443405448 858646043 /nfs/dbraw/zinc/64/60/43/858646043.db2.gz JNUAKCYYJXTOSE-UHFFFAOYSA-N -1 1 397.378 3.726 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)O[C@H](C#N)C(C)C)ccc2C)c1 ZINC000761133750 858652897 /nfs/dbraw/zinc/65/28/97/858652897.db2.gz OFEXVVOCFVGCBT-GOSISDBHSA-N -1 1 386.473 3.809 20 30 GHEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC#N)cc1 ZINC000507969510 858793355 /nfs/dbraw/zinc/79/33/55/858793355.db2.gz WQBGTNZZVUUKNZ-UHFFFAOYSA-N -1 1 399.516 3.737 20 30 GHEDMM Cc1c(-c2ccccc2)nc(S[C@H](C)C(=O)Nc2ccccc2C#N)[n-]c1=O ZINC000185057358 859094881 /nfs/dbraw/zinc/09/48/81/859094881.db2.gz NESFKDUVSDKEGE-CQSZACIVSA-N -1 1 390.468 3.736 20 30 GHEDMM C=CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000116852857 859193678 /nfs/dbraw/zinc/19/36/78/859193678.db2.gz OEAZMRJJQFRIET-AWEZNQCLSA-N -1 1 376.453 3.629 20 30 GHEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2)n1 ZINC000129878000 859356297 /nfs/dbraw/zinc/35/62/97/859356297.db2.gz GPAHLEUKERXNEF-AWEZNQCLSA-N -1 1 377.425 3.780 20 30 GHEDMM CCOC(=O)c1sc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)c(C#N)c1C ZINC000611167215 859630962 /nfs/dbraw/zinc/63/09/62/859630962.db2.gz YUAUJBGOSXIRNE-LLVKDONJSA-N -1 1 391.474 3.665 20 30 GHEDMM CCc1oc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000161213125 859703524 /nfs/dbraw/zinc/70/35/24/859703524.db2.gz CPIBWJPVEPOPPY-LBPRGKRZSA-N -1 1 381.457 3.817 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N([C@@H](C)C#N)C3CC3)c2)c1 ZINC000598127210 860080449 /nfs/dbraw/zinc/08/04/49/860080449.db2.gz OKWWHZFQQYZNIV-INIZCTEOSA-N -1 1 397.500 3.621 20 30 GHEDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000727795774 860275904 /nfs/dbraw/zinc/27/59/04/860275904.db2.gz ZCFJBVOXAXUTBZ-UHFFFAOYSA-N -1 1 378.837 3.579 20 30 GHEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000097727824 860667530 /nfs/dbraw/zinc/66/75/30/860667530.db2.gz WSDLQOWSKAQQBC-MRXNPFEDSA-N -1 1 399.516 3.726 20 30 GHEDMM COc1ccc(CN=Nc2ccc(Br)cc2F)c(OCC(=O)[O-])c1 ZINC000734365385 864178696 /nfs/dbraw/zinc/17/86/96/864178696.db2.gz HCCVYPKVVVGDKS-UHFFFAOYSA-N -1 1 397.200 3.506 20 30 GHEDMM N#CC(=C([O-])c1c(Cl)nc2ccccn21)c1nc(-c2ccncc2)cs1 ZINC000114619901 881760354 /nfs/dbraw/zinc/76/03/54/881760354.db2.gz SPASUHSSVPRJGW-GFCCVEGCSA-N -1 1 379.832 3.996 20 30 GHEDMM C[C@@H](CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)n1cccc1 ZINC000735204558 864667218 /nfs/dbraw/zinc/66/72/18/864667218.db2.gz YWWOMAZRBMQHQT-JSGCOSHPSA-N -1 1 380.473 3.905 20 30 GHEDMM C=CCOC(=O)c1sc2[n-]c(CO[C@H]3CCCC[C@H]3C)nc(=O)c2c1C ZINC000063579727 865014584 /nfs/dbraw/zinc/01/45/84/865014584.db2.gz VVYLMWOHGLHBGT-YPMHNXCESA-N -1 1 376.478 3.731 20 30 GHEDMM COc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(C)cc1C ZINC000478683426 866494400 /nfs/dbraw/zinc/49/44/00/866494400.db2.gz YHEQJCJEWUMWIR-UHFFFAOYSA-N -1 1 395.278 3.747 20 30 GHEDMM O=C([O-])COc1cccc(C=NNc2c(F)cc(F)cc2Br)c1 ZINC000741772292 866777894 /nfs/dbraw/zinc/77/78/94/866777894.db2.gz RHPYCNRQBMMOKM-UHFFFAOYSA-N -1 1 385.164 3.637 20 30 GHEDMM COc1ccccc1C(F)(F)C(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001126858800 867935446 /nfs/dbraw/zinc/93/54/46/867935446.db2.gz XBWOPWMNDVUWGD-UHFFFAOYSA-N -1 1 383.316 3.974 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC3(C#N)CCC3)c2)cc1 ZINC000183837120 868343556 /nfs/dbraw/zinc/34/35/56/868343556.db2.gz XEERWIQQSNSYPC-UHFFFAOYSA-N -1 1 384.457 3.647 20 30 GHEDMM CCc1c(C)sc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)c1C#N ZINC000524330595 868935593 /nfs/dbraw/zinc/93/55/93/868935593.db2.gz UZRGWTSLEMZAPF-UHFFFAOYSA-N -1 1 376.507 3.588 20 30 GHEDMM CC(C)n1cccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000153138465 869866206 /nfs/dbraw/zinc/86/62/06/869866206.db2.gz OPCXYPQNSRMWER-ZDUSSCGKSA-N -1 1 380.473 3.736 20 30 GHEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cccc4c(C#N)cccc34)c2)o1 ZINC001192266920 870252027 /nfs/dbraw/zinc/25/20/27/870252027.db2.gz LIXYSTPHUGVSCP-UHFFFAOYSA-N -1 1 390.424 3.871 20 30 GHEDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3C)c2)o1 ZINC001192273447 870256918 /nfs/dbraw/zinc/25/69/18/870256918.db2.gz PHQWDEBQWWLEDN-UHFFFAOYSA-N -1 1 388.836 3.679 20 30 GHEDMM C=CCN(CC1CCCCC1)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000525416029 870626814 /nfs/dbraw/zinc/62/68/14/870626814.db2.gz IGPVRWSTLMBHOZ-UHFFFAOYSA-N -1 1 395.525 3.667 20 30 GHEDMM C#Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000022409080 870767863 /nfs/dbraw/zinc/76/78/63/870767863.db2.gz MYEHKKAWXIJGQB-UHFFFAOYSA-N -1 1 394.427 3.860 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)c(Br)c(F)c1 ZINC000540293429 870962231 /nfs/dbraw/zinc/96/22/31/870962231.db2.gz VLKWXMCMRATULF-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2Cl)c1 ZINC001193681401 871234216 /nfs/dbraw/zinc/23/42/16/871234216.db2.gz XDLFDDOQCBKLDP-UHFFFAOYSA-N -1 1 375.208 3.814 20 30 GHEDMM N#Cc1cc(Cl)cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC001194011690 871431964 /nfs/dbraw/zinc/43/19/64/871431964.db2.gz LQMZOYPXHADWRJ-UHFFFAOYSA-N -1 1 389.191 3.503 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CSc3ccc(Br)cc32)c1 ZINC000618885815 872087798 /nfs/dbraw/zinc/08/77/98/872087798.db2.gz JKVJIWVBISTGTB-CQSZACIVSA-N -1 1 375.247 3.603 20 30 GHEDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443406453 872284524 /nfs/dbraw/zinc/28/45/24/872284524.db2.gz FBPYLGMURANASJ-UHFFFAOYSA-N -1 1 380.351 3.563 20 30 GHEDMM O=C(NC1=C(c2ccccc2)C(=O)c2ccccc21)c1cc([O-])cnc1Cl ZINC001195313285 872331144 /nfs/dbraw/zinc/33/11/44/872331144.db2.gz WSXNADSFYPXBPQ-UHFFFAOYSA-N -1 1 376.799 3.935 20 30 GHEDMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)[nH]n2)cc1 ZINC000619461257 872656318 /nfs/dbraw/zinc/65/63/18/872656318.db2.gz CXJURJDJQJVCDK-UHFFFAOYSA-N -1 1 380.473 3.896 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c1 ZINC000619461835 872657317 /nfs/dbraw/zinc/65/73/17/872657317.db2.gz QZHWZWGZHZDZMG-UHFFFAOYSA-N -1 1 379.441 3.527 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1C(=O)OC(C)(C)C ZINC000619463593 872660525 /nfs/dbraw/zinc/66/05/25/872660525.db2.gz ZCRUZWHKYNYGEW-UHFFFAOYSA-N -1 1 386.473 3.817 20 30 GHEDMM COc1nc(Cl)ncc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309340 873002961 /nfs/dbraw/zinc/00/29/61/873002961.db2.gz VJFFXHLSUOANDO-UHFFFAOYSA-N -1 1 380.791 3.635 20 30 GHEDMM Cc1cnccc1O[C@@H]1CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196318059 873027377 /nfs/dbraw/zinc/02/73/77/873027377.db2.gz BYVUCOFYOAKTOO-JOCHJYFZSA-N -1 1 399.450 3.928 20 30 GHEDMM CC(=NNc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1sccc1[O-] ZINC000769792904 874293396 /nfs/dbraw/zinc/29/33/96/874293396.db2.gz WUMKFFOHFZLYKH-UHFFFAOYSA-N -1 1 394.503 3.547 20 30 GHEDMM C=C(C)Cn1c([C@@H]2CCOC2)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000460562745 874646479 /nfs/dbraw/zinc/64/64/79/874646479.db2.gz BIDHIHREXIMJIT-IIDMSEBBSA-N -1 1 390.915 3.622 20 30 GHEDMM CC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000542127692 874989743 /nfs/dbraw/zinc/98/97/43/874989743.db2.gz FASQBSCLDFKEQW-OAHLLOKOSA-N -1 1 391.452 3.968 20 30 GHEDMM C=C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000465107833 875106381 /nfs/dbraw/zinc/10/63/81/875106381.db2.gz AUCKFWZWBAHWEX-GFCCVEGCSA-N -1 1 398.406 3.811 20 30 GHEDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528911483 875253512 /nfs/dbraw/zinc/25/35/12/875253512.db2.gz AAJAXPYRTKCPPY-VZLBPVOXSA-N -1 1 385.489 3.511 20 30 GHEDMM N#Cc1cccc(OCCCCC(=O)Nc2nc(Br)ccc2[O-])c1 ZINC000771576137 875323403 /nfs/dbraw/zinc/32/34/03/875323403.db2.gz LQJOLBNZWBKCBV-UHFFFAOYSA-N -1 1 390.237 3.609 20 30 GHEDMM COc1sc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1Br ZINC000746519294 875576149 /nfs/dbraw/zinc/57/61/49/875576149.db2.gz BOEKRVHQDIQFER-HYXAFXHYSA-N -1 1 383.219 3.819 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)cc1C#N ZINC001201315504 875627275 /nfs/dbraw/zinc/62/72/75/875627275.db2.gz CIAVMJPSEMTZCE-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM COc1c(F)cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1Br ZINC001201322124 875632160 /nfs/dbraw/zinc/63/21/60/875632160.db2.gz DKQLGNINLXQWJU-UHFFFAOYSA-N -1 1 399.241 3.578 20 30 GHEDMM Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000785616575 876151259 /nfs/dbraw/zinc/15/12/59/876151259.db2.gz PTNUPERATDDZCI-HSZRJFAPSA-N -1 1 386.451 3.948 20 30 GHEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000109195448 876746680 /nfs/dbraw/zinc/74/66/80/876746680.db2.gz GNAABENGDSLXFN-DAFODLJHSA-N -1 1 388.139 3.758 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCCC#N)c2)c1 ZINC000171594612 876748544 /nfs/dbraw/zinc/74/85/44/876748544.db2.gz OJCQDHOIXYPSEY-UHFFFAOYSA-N -1 1 385.489 3.528 20 30 GHEDMM C[C@H](Cc1ccco1)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000850738974 877133197 /nfs/dbraw/zinc/13/31/97/877133197.db2.gz IBHQAPPCJMPPTA-RISCZKNCSA-N -1 1 381.457 3.924 20 30 GHEDMM CC(C)c1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccn1 ZINC000533934550 877834629 /nfs/dbraw/zinc/83/46/29/877834629.db2.gz VLDDAWQCBABHSA-HNNXBMFYSA-N -1 1 384.443 3.767 20 30 GHEDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccsc3C#N)CC2)c1[O-] ZINC000852343630 878266118 /nfs/dbraw/zinc/26/61/18/878266118.db2.gz FOLBRFQSXSUTKU-UHFFFAOYSA-N -1 1 375.881 3.504 20 30 GHEDMM CCn1c2cc(Br)ccc2nc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616035214 878453822 /nfs/dbraw/zinc/45/38/22/878453822.db2.gz VDTOFBHMLDKXIV-UHFFFAOYSA-N -1 1 385.221 3.648 20 30 GHEDMM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccc(Br)cc1C(F)(F)F ZINC000790158197 879498993 /nfs/dbraw/zinc/49/89/93/879498993.db2.gz VIEWGVNRCWLJON-UHFFFAOYSA-N -1 1 399.174 3.970 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000174746501 879965903 /nfs/dbraw/zinc/96/59/03/879965903.db2.gz XRXWTUXGTUAJOH-UHFFFAOYSA-N -1 1 384.457 3.647 20 30 GHEDMM N#CCCCC[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000184970693 880434962 /nfs/dbraw/zinc/43/49/62/880434962.db2.gz CRIBECJDLLHKJK-UHFFFAOYSA-N -1 1 386.098 3.728 20 30 GHEDMM C=CCn1c([C@]2(C)CCCO2)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000453440769 880900795 /nfs/dbraw/zinc/90/07/95/880900795.db2.gz NDMOTTXPSWOHRY-NQYLQCIDSA-N -1 1 390.915 3.753 20 30 GHEDMM C=CCCO[N-]C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000856030517 880928307 /nfs/dbraw/zinc/92/83/07/880928307.db2.gz HBNKKKDMBBHNLD-IRLDBZIGSA-N -1 1 378.472 3.790 20 30 GHEDMM C=CCC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856172001 881009699 /nfs/dbraw/zinc/00/96/99/881009699.db2.gz TUSCRNASZVHSRH-HZPDHXFCSA-N -1 1 382.426 3.652 20 30 GHEDMM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccc2ncccc2c1 ZINC000476912734 883367223 /nfs/dbraw/zinc/36/72/23/883367223.db2.gz KZCJUGNWWFYBCE-UHFFFAOYSA-N -1 1 385.448 3.830 20 30 GHEDMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000025766654 883435648 /nfs/dbraw/zinc/43/56/48/883435648.db2.gz OFGOYEBXKVIHLB-UHFFFAOYSA-N -1 1 391.880 3.997 20 30 GHEDMM 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N#Cc1ccc2c(c1)CN(C(=O)c1c([O-])cnc3c(Br)cccc31)C2 ZINC001469462907 1068174441 /nfs/dbraw/zinc/17/44/41/1068174441.db2.gz YZLLYSQGVQUALC-UHFFFAOYSA-N -1 1 394.228 3.731 20 30 GHEDMM C=CCC[C@@H](NC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001469468310 1068178069 /nfs/dbraw/zinc/17/80/69/1068178069.db2.gz KXWVQUPFGIAOCA-QAPCUYQASA-N -1 1 383.414 3.546 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)c1 ZINC001475134509 1074751964 /nfs/dbraw/zinc/75/19/64/1074751964.db2.gz DXQJGAUFBIADRU-UHFFFAOYSA-N -1 1 389.473 3.926 20 30 GHEDMM CC(C)[C@@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735691775 599201121 /nfs/dbraw/zinc/20/11/21/599201121.db2.gz PRZRNTDSXOAWJE-OAHLLOKOSA-N -1 1 396.838 3.590 20 30 GHEDMM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481984506 600629147 /nfs/dbraw/zinc/62/91/47/600629147.db2.gz UYIZGHLWCYIWKJ-ZDUSSCGKSA-N -1 1 390.486 3.509 20 30 GHEDMM N#CCOc1ccc(Cl)cc1CN1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740310186 602992257 /nfs/dbraw/zinc/99/22/57/602992257.db2.gz HAXCNKNKJFACHK-RHSMWYFYSA-N -1 1 377.872 3.597 20 30 GHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Br)c(F)c1 ZINC000822922637 607122857 /nfs/dbraw/zinc/12/28/57/607122857.db2.gz IJBSRJZMKRFNMO-DJWKRKHSSA-N -1 1 379.214 3.726 20 30 GHEDMM COc1ccc(Br)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826186838 608091931 /nfs/dbraw/zinc/09/19/31/608091931.db2.gz MHFQSPJOGDHSMY-RQOWECAXSA-N -1 1 391.250 3.595 20 30 GHEDMM COc1ccc(Br)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826186838 608091932 /nfs/dbraw/zinc/09/19/32/608091932.db2.gz MHFQSPJOGDHSMY-RQOWECAXSA-N -1 1 391.250 3.595 20 30 GHEDMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826332202 608092082 /nfs/dbraw/zinc/09/20/82/608092082.db2.gz MPVPHLHDIGSSRI-HJWRWDBZSA-N -1 1 376.445 3.627 20 30 GHEDMM Cc1nn(-c2ccccc2)c(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826332202 608092083 /nfs/dbraw/zinc/09/20/83/608092083.db2.gz MPVPHLHDIGSSRI-HJWRWDBZSA-N -1 1 376.445 3.627 20 30 GHEDMM C#CCCCCCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000823841752 609527284 /nfs/dbraw/zinc/52/72/84/609527284.db2.gz SERSUFYCWNVYLI-UHFFFAOYSA-N -1 1 390.447 3.885 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000584428349 834586077 /nfs/dbraw/zinc/58/60/77/834586077.db2.gz RKSBOWFMTNMTKM-LSDHHAIUSA-N -1 1 384.379 3.785 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c(=O)o1 ZINC000254944559 835341715 /nfs/dbraw/zinc/34/17/15/835341715.db2.gz BJIZYGRWNXRKOV-XOWYPZSQSA-N -1 1 383.381 3.552 20 30 GHEDMM N#Cc1ccccc1COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000032627320 835746534 /nfs/dbraw/zinc/74/65/34/835746534.db2.gz VYPNLPHKCBARQD-UHFFFAOYSA-N -1 1 387.321 3.526 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000365300366 836342949 /nfs/dbraw/zinc/34/29/49/836342949.db2.gz NNOIGWODLOKPLU-UHFFFAOYSA-N -1 1 390.371 3.655 20 30 GHEDMM C[C@@H](Oc1ccccc1)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362728 844193594 /nfs/dbraw/zinc/19/35/94/844193594.db2.gz HIJUFDAPWGYPEM-DOMZBBRYSA-N -1 1 393.468 3.507 20 30 GHEDMM CC(=O)[C@H]1CC(C([O-])=C(C#N)c2nc(C(C)C)cs2)=NN1c1ccccc1 ZINC000177746406 837117515 /nfs/dbraw/zinc/11/75/15/837117515.db2.gz SRPRIBNJEANQIG-CRAIPNDOSA-N -1 1 380.473 3.667 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(C#N)c[nH]3)ccc2C)c1 ZINC000177466589 837961110 /nfs/dbraw/zinc/96/11/10/837961110.db2.gz DLVZAGFMMHPEDJ-UHFFFAOYSA-N -1 1 394.456 3.556 20 30 GHEDMM CC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000122187114 837977741 /nfs/dbraw/zinc/97/77/41/837977741.db2.gz OTBURAYBXWOCGB-AWEZNQCLSA-N -1 1 392.864 3.908 20 30 GHEDMM CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614371797 844315789 /nfs/dbraw/zinc/31/57/89/844315789.db2.gz HUSPLFSRHHHCAD-AWEZNQCLSA-N -1 1 380.448 3.629 20 30 GHEDMM C[C@@H](C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1 ZINC000122853795 838448012 /nfs/dbraw/zinc/44/80/12/838448012.db2.gz CQBKZRCDUUTDPQ-IUODEOHRSA-N -1 1 377.469 3.843 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1OC ZINC000066814005 839007538 /nfs/dbraw/zinc/00/75/38/839007538.db2.gz NCLOCAJRMGZZSP-CYBMUJFWSA-N -1 1 392.502 3.899 20 30 GHEDMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2c1C ZINC000473501134 844397040 /nfs/dbraw/zinc/39/70/40/844397040.db2.gz AOYHZHXNXFLFIK-UHFFFAOYSA-N -1 1 384.413 3.590 20 30 GHEDMM C=CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000472697526 839186984 /nfs/dbraw/zinc/18/69/84/839186984.db2.gz HBKLXDRIPVGKQK-UHFFFAOYSA-N -1 1 388.489 3.582 20 30 GHEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000125058718 841230914 /nfs/dbraw/zinc/23/09/14/841230914.db2.gz LTWYVQULMWAINK-CYBMUJFWSA-N -1 1 382.832 3.820 20 30 GHEDMM C=CCN1C(=O)c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2C1=O ZINC000430606470 841512703 /nfs/dbraw/zinc/51/27/03/841512703.db2.gz VWFAWIXSYGXAIY-HNNXBMFYSA-N -1 1 393.468 3.713 20 30 GHEDMM CC(C)(C)SCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123453241 841775066 /nfs/dbraw/zinc/77/50/66/841775066.db2.gz YBJNWQZLXKUYFO-NSHDSACASA-N -1 1 375.519 3.571 20 30 GHEDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)n1 ZINC000175969866 842491565 /nfs/dbraw/zinc/49/15/65/842491565.db2.gz DXFKGPJFJYEWMG-UHFFFAOYSA-N -1 1 382.445 3.588 20 30 GHEDMM C[C@@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccsc1 ZINC000121553887 842813435 /nfs/dbraw/zinc/81/34/35/842813435.db2.gz QWCZXETZWUUWQY-MFKMUULPSA-N -1 1 383.498 3.905 20 30 GHEDMM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432761886 843738921 /nfs/dbraw/zinc/73/89/21/843738921.db2.gz XROMFDXBAFTOLZ-UHFFFAOYSA-N -1 1 383.292 3.843 20 30 GHEDMM CCCC[C@H](CC)COc1ccc(C(C)=NNc2nc3[nH][n-]cc-3c(=O)n2)cc1 ZINC000731154809 861489571 /nfs/dbraw/zinc/48/95/71/861489571.db2.gz FCVZDNJNVDWIOC-HNNXBMFYSA-N -1 1 396.495 3.863 20 30 GHEDMM Cc1c2ccccc2oc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001211765943 845340879 /nfs/dbraw/zinc/34/08/79/845340879.db2.gz DIRBRIQHLVQOFE-LBPRGKRZSA-N -1 1 385.401 3.561 20 30 GHEDMM Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)n1 ZINC000115312604 845759049 /nfs/dbraw/zinc/75/90/49/845759049.db2.gz HGKKNDMVMHOHOW-UHFFFAOYSA-N -1 1 384.848 3.778 20 30 GHEDMM CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000503498101 847751065 /nfs/dbraw/zinc/75/10/65/847751065.db2.gz JEJLSAKDMQYDIK-HXUWFJFHSA-N -1 1 385.489 3.983 20 30 GHEDMM CC[C@@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000503498100 847751331 /nfs/dbraw/zinc/75/13/31/847751331.db2.gz JEJLSAKDMQYDIK-FQEVSTJZSA-N -1 1 385.489 3.983 20 30 GHEDMM CC[C@](C)(C#N)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000503674919 847879850 /nfs/dbraw/zinc/87/98/50/847879850.db2.gz HZGIJQZQPJCDOA-GOSISDBHSA-N -1 1 393.415 3.644 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCCCc3ccccc3)c2)c(=O)o1 ZINC000731937465 861977317 /nfs/dbraw/zinc/97/73/17/861977317.db2.gz IECAOBJAWUWCAN-FRHQNKJESA-N -1 1 390.435 3.926 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c(F)c1 ZINC000178809263 849259497 /nfs/dbraw/zinc/25/94/97/849259497.db2.gz HPOPXJJIZKTKHS-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCCC1(C)C ZINC000443867111 862062595 /nfs/dbraw/zinc/06/25/95/862062595.db2.gz JRJXDPFHGGDLAK-OAHLLOKOSA-N -1 1 382.526 3.563 20 30 GHEDMM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nc(C(F)(F)F)cs1 ZINC000486830889 850133712 /nfs/dbraw/zinc/13/37/12/850133712.db2.gz BWLYKJLWOUFOGQ-SSDOTTSWSA-N -1 1 395.815 3.726 20 30 GHEDMM CN(Cc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000518860680 850260264 /nfs/dbraw/zinc/26/02/64/850260264.db2.gz DMKUPPDEAAZVDJ-UHFFFAOYSA-N -1 1 377.469 3.995 20 30 GHEDMM C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000435292043 850320820 /nfs/dbraw/zinc/32/08/20/850320820.db2.gz XEGOIMGFGDLYSS-MRXNPFEDSA-N -1 1 390.505 3.794 20 30 GHEDMM CC1(C)CCCN(C(=O)c2c([O-])cnc3c(Br)cccc32)[C@@H]1C#N ZINC000487640303 850788892 /nfs/dbraw/zinc/78/88/92/850788892.db2.gz IPKTWXVWBKAZHZ-CQSZACIVSA-N -1 1 388.265 3.857 20 30 GHEDMM Cc1oc(C#N)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000436092622 851211368 /nfs/dbraw/zinc/21/13/68/851211368.db2.gz XERCOAVCCDCNAC-UHFFFAOYSA-N -1 1 381.413 3.513 20 30 GHEDMM N#CC(=C([O-])c1nn(-c2ccccc2F)c2c1CCC2)c1nc2ccccc2[nH]1 ZINC000048813397 851494152 /nfs/dbraw/zinc/49/41/52/851494152.db2.gz SAYFSOZVKCCEJC-AWEZNQCLSA-N -1 1 385.402 3.866 20 30 GHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 ZINC000048789036 851501856 /nfs/dbraw/zinc/50/18/56/851501856.db2.gz SFBUFEBNBIHOQB-SFHVURJKSA-N -1 1 396.493 3.916 20 30 GHEDMM Cc1nn(-c2cccc(Cl)c2)c(C)c1[C@H](NCc1cccc(C#N)c1)C(=O)[O-] ZINC000426790710 852400259 /nfs/dbraw/zinc/40/02/59/852400259.db2.gz FJJAOFGXNJPNOQ-FQEVSTJZSA-N -1 1 394.862 3.930 20 30 GHEDMM N#Cc1ccc(CSCC(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000436914795 852492663 /nfs/dbraw/zinc/49/26/63/852492663.db2.gz LEAUCXUMBBTFNS-UHFFFAOYSA-N -1 1 399.863 3.574 20 30 GHEDMM N#Cc1ccc(CSCC(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436914795 852492672 /nfs/dbraw/zinc/49/26/72/852492672.db2.gz LEAUCXUMBBTFNS-UHFFFAOYSA-N -1 1 399.863 3.574 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC)c(Cl)c2)c1 ZINC000507585833 853072566 /nfs/dbraw/zinc/07/25/66/853072566.db2.gz UUYAKMPPTVMSKV-UHFFFAOYSA-N -1 1 378.881 3.619 20 30 GHEDMM C=CC1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000520341011 854098649 /nfs/dbraw/zinc/09/86/49/854098649.db2.gz ISKMSUZLCQRGKO-UHFFFAOYSA-N -1 1 387.461 3.798 20 30 GHEDMM C[C@@H]1CC(CNC(=O)c2ccc(I)c([O-])c2)C[C@@H](C)O1 ZINC000330509009 854678949 /nfs/dbraw/zinc/67/89/49/854678949.db2.gz HGBDSMFLBUPNQK-NXEZZACHSA-N -1 1 389.233 3.505 20 30 GHEDMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000590066674 855272492 /nfs/dbraw/zinc/27/24/92/855272492.db2.gz KEOQOXVLOVOZHB-KRWDZBQOSA-N -1 1 380.416 3.687 20 30 GHEDMM 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/nfs/dbraw/zinc/89/23/51/862892351.db2.gz ONUIRLBZQGBJFW-UHFFFAOYSA-N -1 1 377.227 3.704 20 30 GHEDMM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593200847 857388437 /nfs/dbraw/zinc/38/84/37/857388437.db2.gz VXTPESMCWRXPRX-UHFFFAOYSA-N -1 1 397.500 3.946 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1OC(F)(F)F ZINC000442244305 857649498 /nfs/dbraw/zinc/64/94/98/857649498.db2.gz YAAOSRWXOVGZSB-UHFFFAOYSA-N -1 1 376.743 3.911 20 30 GHEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442944912 858261181 /nfs/dbraw/zinc/26/11/81/858261181.db2.gz RMIHKAQCQUVCMU-UHFFFAOYSA-N -1 1 376.796 3.791 20 30 GHEDMM N#Cc1sccc1S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F ZINC000594868824 858291766 /nfs/dbraw/zinc/29/17/66/858291766.db2.gz UFYMAAURPOVEAN-UHFFFAOYSA-N -1 1 394.362 3.952 20 30 GHEDMM C=C[C@@](C)(CC)C(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000443067952 858336389 /nfs/dbraw/zinc/33/63/89/858336389.db2.gz HMZJALDGIHDVDE-FQEVSTJZSA-N -1 1 390.480 3.845 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C=C(Cl)CSc1nc(C)c(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)s1 ZINC001121146166 934574776 /nfs/dbraw/zinc/57/47/76/934574776.db2.gz CIJKTLWMVHFSIZ-UHFFFAOYSA-N -1 1 397.835 3.614 20 30 GHEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1Cc2ccc(Cl)cc2C1 ZINC001121499556 934675679 /nfs/dbraw/zinc/67/56/79/934675679.db2.gz WGKMXTDFUOTLEQ-UHFFFAOYSA-N -1 1 394.866 3.678 20 30 GHEDMM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc1Cl ZINC001588873655 984444759 /nfs/dbraw/zinc/44/47/59/984444759.db2.gz FMFFGHBUHRGRPB-GOSISDBHSA-N -1 1 377.824 3.535 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000468365411 1015630184 /nfs/dbraw/zinc/63/01/84/1015630184.db2.gz UYPBFKNYBKVGKL-UHFFFAOYSA-N -1 1 397.500 3.687 20 30 GHEDMM Cc1ccc(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc1C#N ZINC000468709241 1015938037 /nfs/dbraw/zinc/93/80/37/1015938037.db2.gz YVXBNDKOTDKOES-UHFFFAOYSA-N -1 1 392.484 3.699 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c2ccccc21 ZINC000468939756 1016248863 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1051598993 /nfs/dbraw/zinc/59/89/93/1051598993.db2.gz AWJSUUGOOJIEBQ-FQEVSTJZSA-N -1 1 385.489 3.719 20 30 GHEDMM C=CCCc1ccccc1NC(=O)NC1(c2ncc(OC)c(=O)[n-]2)CCCC1 ZINC001344700779 1054684696 /nfs/dbraw/zinc/68/46/96/1054684696.db2.gz YUYUPPVQKQUHDA-UHFFFAOYSA-N -1 1 382.464 3.900 20 30 GHEDMM COc1ccc(C(NC(=O)c2ccc(C#N)c([O-])c2)c2ccc(OC)cc2)cc1 ZINC001320617620 1055904328 /nfs/dbraw/zinc/90/43/28/1055904328.db2.gz DZSAVHAKKKNPGM-UHFFFAOYSA-N -1 1 388.423 3.800 20 30 GHEDMM O=S1(=O)[N-]/C(=N/[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)c2ccccc21 ZINC001321120126 1056103386 /nfs/dbraw/zinc/10/33/86/1056103386.db2.gz WCDHHXBMEVDIBP-MQMHXKEQSA-N -1 1 380.391 3.690 20 30 GHEDMM C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)ccc2C)C1 ZINC000848289945 1056975445 /nfs/dbraw/zinc/97/54/45/1056975445.db2.gz FEDJVAZVOTYJFE-GOSISDBHSA-N -1 1 396.512 3.590 20 30 GHEDMM C#C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)C1 ZINC000848291452 1056978012 /nfs/dbraw/zinc/97/80/12/1056978012.db2.gz RJZACBDDZHYUNZ-SFHVURJKSA-N -1 1 396.512 3.590 20 30 GHEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]1c1nc2ccccc2s1 ZINC001338871712 1058847065 /nfs/dbraw/zinc/84/70/65/1058847065.db2.gz VFRWLMBXBIWRQJ-CQSZACIVSA-N -1 1 393.476 3.511 20 30 GHEDMM C=C[C@H](C(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001451823729 1060844126 /nfs/dbraw/zinc/84/41/26/1060844126.db2.gz SDXXDOFHQWLMBD-IRXDYDNUSA-N -1 1 388.389 3.593 20 30 GHEDMM C=C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC001451823720 1060844404 /nfs/dbraw/zinc/84/44/04/1060844404.db2.gz SDXXDOFHQWLMBD-IAGOWNOFSA-N -1 1 388.389 3.593 20 30 GHEDMM CCn1ccnc1C(C#N)=C([O-])c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC001347338622 1062308631 /nfs/dbraw/zinc/30/86/31/1062308631.db2.gz SQWDPYVRTBKQKC-CQSZACIVSA-N -1 1 387.365 3.906 20 30 GHEDMM CCn1ccnc1C(C#N)=C([O-])c1sc(-c2ccc(OC)cc2F)nc1C ZINC001349702054 1063878865 /nfs/dbraw/zinc/87/88/65/1063878865.db2.gz LQHIKKXAOJFRAZ-AWEZNQCLSA-N -1 1 384.436 3.973 20 30 GHEDMM 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397.500 3.682 20 30 GHEDMM C=CCN(C(=O)c1ccc2ccccc2c1[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436558837 852062455 /nfs/dbraw/zinc/06/24/55/852062455.db2.gz ZRAGNCUKFLFMQO-INIZCTEOSA-N -1 1 399.454 3.911 20 30 GHEDMM N#Cc1cccc(F)c1CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436640506 852149591 /nfs/dbraw/zinc/14/95/91/852149591.db2.gz IPKGZFHAQAUAOL-UHFFFAOYSA-N -1 1 395.434 3.647 20 30 GHEDMM COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436668313 852166603 /nfs/dbraw/zinc/16/66/03/852166603.db2.gz XNZBVAZCRZKJPZ-UHFFFAOYSA-N -1 1 388.379 3.886 20 30 GHEDMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489616545 852467711 /nfs/dbraw/zinc/46/77/11/852467711.db2.gz LEVCWGHRYHZRDX-ZETCQYMHSA-N -1 1 383.285 3.734 20 30 GHEDMM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489760018 852589274 /nfs/dbraw/zinc/58/92/74/852589274.db2.gz BRGYPWYOOVFCAO-NSHDSACASA-N -1 1 394.449 3.719 20 30 GHEDMM 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GHEDMM Cc1ccc(NC(=O)c2ccc(C#N)o2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000428161429 857161692 /nfs/dbraw/zinc/16/16/92/857161692.db2.gz FCJGDFRTIJABPV-UHFFFAOYSA-N -1 1 381.413 3.513 20 30 GHEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000520801782 857232095 /nfs/dbraw/zinc/23/20/95/857232095.db2.gz KOXJYUSCNFSIDY-ZDUSSCGKSA-N -1 1 390.486 3.510 20 30 GHEDMM C=CCN(CC(F)(F)F)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000486032216 857344452 /nfs/dbraw/zinc/34/44/52/857344452.db2.gz XIXNPSKHUXXKLK-UHFFFAOYSA-N -1 1 389.171 3.893 20 30 GHEDMM COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000442982251 858289727 /nfs/dbraw/zinc/28/97/27/858289727.db2.gz XDUPHLORFHWDIL-GOSISDBHSA-N -1 1 380.444 3.596 20 30 GHEDMM COc1ccc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc2OC)cc1 ZINC000443052328 858339816 /nfs/dbraw/zinc/33/98/16/858339816.db2.gz UAJSIHDHOVDHGV-QFIPXVFZSA-N -1 1 388.423 3.800 20 30 GHEDMM N#Cc1ccc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1[O-] ZINC000443115643 858382679 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N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cnn(C4CCOCC4)c3)c2)c1 ZINC001196309200 873003800 /nfs/dbraw/zinc/00/38/00/873003800.db2.gz QAHPWIOHWAVIBD-UHFFFAOYSA-N -1 1 388.427 3.731 20 30 GHEDMM CCOC(=O)c1ccncc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196296680 873021861 /nfs/dbraw/zinc/02/18/61/873021861.db2.gz BLYQWQJPVKQPFR-UHFFFAOYSA-N -1 1 387.395 3.755 20 30 GHEDMM COC(=O)C12CCC(NC(=O)c3cc([O-])cc(-c4cccc(C#N)c4)c3)(CC1)C2 ZINC001196328316 873034301 /nfs/dbraw/zinc/03/43/01/873034301.db2.gz CVXPMAKOLNICNO-UHFFFAOYSA-N -1 1 390.439 3.537 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCCc3cn4ccccc4n3)c2)c1 ZINC001196330519 873036622 /nfs/dbraw/zinc/03/66/22/873036622.db2.gz SPNODRWBMNCXFR-UHFFFAOYSA-N -1 1 382.423 3.551 20 30 GHEDMM O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc([O-])c(Cl)c1 ZINC000921256810 882757399 /nfs/dbraw/zinc/75/73/99/882757399.db2.gz ZIVYFUQRHUBYHK-UHFFFAOYSA-N -1 1 395.758 3.737 20 30 GHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cc(Br)c2c(c1)OCCCO2 ZINC000921265634 882786523 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GHEDMM CCC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1cc(C)ccc1OC ZINC000771559663 875333235 /nfs/dbraw/zinc/33/32/35/875333235.db2.gz KMUNSJQOXCDDKO-UHFFFAOYSA-N -1 1 382.468 3.830 20 30 GHEDMM C#Cc1cccc(NC(=O)CCn2c(-c3ccc(OC)cc3)n[n-]c2=S)c1 ZINC000105573673 875339791 /nfs/dbraw/zinc/33/97/91/875339791.db2.gz PABXBIPTUOHGON-UHFFFAOYSA-N -1 1 378.457 3.626 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3[C@H]3CCCCO3)c2)cc1C#N ZINC001201317712 875628719 /nfs/dbraw/zinc/62/87/19/875628719.db2.gz ZFLRFIWXOZQMIB-HXUWFJFHSA-N -1 1 396.472 3.716 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4ncccc4o3)cc2)cc1C#N ZINC001201319696 875630997 /nfs/dbraw/zinc/63/09/97/875630997.db2.gz GCVXHIHJMOKMRH-UHFFFAOYSA-N -1 1 390.424 3.871 20 30 GHEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000172893597 875994460 /nfs/dbraw/zinc/99/44/60/875994460.db2.gz NTGOIEUCGWGEJW-CQSZACIVSA-N -1 1 394.493 3.898 20 30 GHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(=O)OC)oc2C)cc1 ZINC000850759651 877146520 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COc1ccc(CC2N=NC(=S)N2N=Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000790152897 879508369 /nfs/dbraw/zinc/50/83/69/879508369.db2.gz AEPHGPQKUKVLLQ-UHFFFAOYSA-N -1 1 392.843 3.547 20 30 GHEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(CC#N)cc2Cl)c(=O)[n-]1 ZINC000452644166 879839239 /nfs/dbraw/zinc/83/92/39/879839239.db2.gz LAERXMCHCYRSGW-UHFFFAOYSA-N -1 1 376.869 3.503 20 30 GHEDMM C#CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000790963919 880107026 /nfs/dbraw/zinc/10/70/26/880107026.db2.gz AWVKKIMHTCAYGE-UHFFFAOYSA-N -1 1 398.528 3.735 20 30 GHEDMM CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000791031017 880159567 /nfs/dbraw/zinc/15/95/67/880159567.db2.gz IHFCKFIPLZGSEJ-UHFFFAOYSA-N -1 1 399.491 3.517 20 30 GHEDMM C#C[C@@H](CCC)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000791201627 880249338 /nfs/dbraw/zinc/24/93/38/880249338.db2.gz JHLPJZMFMOVUGP-SFHVURJKSA-N -1 1 384.501 3.636 20 30 GHEDMM CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2nccc3ccccc32)c(=O)[n-]1 ZINC000792095049 880924329 /nfs/dbraw/zinc/92/43/29/880924329.db2.gz SYZQPICNBJOZDW-MRXNPFEDSA-N -1 1 378.457 3.570 20 30 GHEDMM CC[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000781133233 881278094 /nfs/dbraw/zinc/27/80/94/881278094.db2.gz YOWSIWSDNKKWLE-OAHLLOKOSA-N -1 1 378.837 3.600 20 30 GHEDMM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475789732 883829796 /nfs/dbraw/zinc/82/97/96/883829796.db2.gz MQDUJKHHUXUKKT-UHFFFAOYSA-N -1 1 379.279 3.878 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000475798710 883948626 /nfs/dbraw/zinc/94/86/26/883948626.db2.gz QUHOEPSGZUEFHY-UHFFFAOYSA-N -1 1 391.452 3.806 20 30 GHEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(-c2cccs2)cc1 ZINC000914600034 884305612 /nfs/dbraw/zinc/30/56/12/884305612.db2.gz NQJJAFAMIGLFQC-UHFFFAOYSA-N -1 1 381.482 3.878 20 30 GHEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1 ZINC000476387703 885493594 /nfs/dbraw/zinc/49/35/94/885493594.db2.gz HPGHQFONEOYLJQ-UHFFFAOYSA-N -1 1 398.406 3.730 20 30 GHEDMM N#C[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706952 885789639 /nfs/dbraw/zinc/78/96/39/885789639.db2.gz ANASODXNZAPKDH-CYBMUJFWSA-N -1 1 394.412 3.674 20 30 GHEDMM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)c1ccccc1Br ZINC001131343901 886461578 /nfs/dbraw/zinc/46/15/78/886461578.db2.gz SXMOWEDJXNTYER-AWEZNQCLSA-N -1 1 395.203 3.931 20 30 GHEDMM CC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000864094707 887544642 /nfs/dbraw/zinc/54/46/42/887544642.db2.gz VTGKMNLKUDWVOT-UHFFFAOYSA-N -1 1 382.829 3.857 20 30 GHEDMM CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809647032 887653310 /nfs/dbraw/zinc/65/33/10/887653310.db2.gz LFBOUQDGKDGVSH-APWZRJJASA-N -1 1 399.491 3.516 20 30 GHEDMM CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc21 ZINC000809647913 887654844 /nfs/dbraw/zinc/65/48/44/887654844.db2.gz HYQZPHRDXYDUKK-UHFFFAOYSA-N -1 1 379.416 3.814 20 30 GHEDMM CC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1cc(F)cc(F)c1[O-] ZINC000763183161 888112964 /nfs/dbraw/zinc/11/29/64/888112964.db2.gz OJUNGRDVDUMOPH-UHFFFAOYSA-N -1 1 381.329 3.677 20 30 GHEDMM [O-]c1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1Br ZINC000916314295 888916342 /nfs/dbraw/zinc/91/63/42/888916342.db2.gz UNZAZNACVHLJRW-UHFFFAOYSA-N -1 1 381.280 3.646 20 30 GHEDMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C=NNc1ccc(C(=O)[O-])cn1 ZINC000763371128 888974758 /nfs/dbraw/zinc/97/47/58/888974758.db2.gz ZWEXPXWGVPBITC-UHFFFAOYSA-N -1 1 383.839 3.741 20 30 GHEDMM C#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000916564004 889139828 /nfs/dbraw/zinc/13/98/28/889139828.db2.gz MTLFBXYLHUDHPD-UHFFFAOYSA-N -1 1 390.464 3.517 20 30 GHEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3cccc(Cl)c3)n2)nc2ccccc21 ZINC000125070609 889864149 /nfs/dbraw/zinc/86/41/49/889864149.db2.gz FFQUJSCDEIKDGV-OAHLLOKOSA-N -1 1 375.819 3.902 20 30 GHEDMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C#N)c2)c1 ZINC000872352822 891244225 /nfs/dbraw/zinc/24/42/25/891244225.db2.gz IHBWZFLOIICSTD-VWLOTQADSA-N -1 1 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Cc1ccc(NC(=O)C(C)(C)C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000056070474 855465927 /nfs/dbraw/zinc/46/59/27/855465927.db2.gz KRPJOSOZZHYXBW-UHFFFAOYSA-N -1 1 391.880 3.938 20 30 GHEDMM C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000428040413 857028257 /nfs/dbraw/zinc/02/82/57/857028257.db2.gz WDWLGXBBROEJKT-IBGZPJMESA-N -1 1 384.501 3.977 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccc1C(=O)NC(C)C ZINC000593205387 857394709 /nfs/dbraw/zinc/39/47/09/857394709.db2.gz YGPHZJOJDNAFPK-UHFFFAOYSA-N -1 1 399.516 3.735 20 30 GHEDMM Cc1cnc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c([O-])c1 ZINC000330330075 862913010 /nfs/dbraw/zinc/91/30/10/862913010.db2.gz WTYMDJQYZHMQIR-HNNXBMFYSA-N -1 1 397.479 3.617 20 30 GHEDMM N#CC(=C([O-])c1cccc(CN2CCOCC2)c1)c1nc2ccccc2s1 ZINC000672579954 857495961 /nfs/dbraw/zinc/49/59/61/857495961.db2.gz DOHVRBGXECDFHF-KRWDZBQOSA-N -1 1 377.469 3.619 20 30 GHEDMM N#CC(=C([O-])c1cccc(CN2CCOCC2)c1)c1nc2cc(F)ccc2s1 ZINC000672583925 857500594 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868758944 /nfs/dbraw/zinc/75/89/44/868758944.db2.gz YLGLFFBIOHZRHM-HNNXBMFYSA-N -1 1 391.880 3.563 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(C#N)CCCCC3)c2)c1 ZINC000122010217 882377218 /nfs/dbraw/zinc/37/72/18/882377218.db2.gz UKYDUALEFLSMOJ-UHFFFAOYSA-N -1 1 397.500 3.752 20 30 GHEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)c1 ZINC001192582380 870512389 /nfs/dbraw/zinc/51/23/89/870512389.db2.gz PVYXQRNWGOZTAP-OAHLLOKOSA-N -1 1 384.835 3.756 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3[nH]ccc3C#N)c2)c1 ZINC001192891757 870750010 /nfs/dbraw/zinc/75/00/10/870750010.db2.gz KISZIAIXIRVFCK-UHFFFAOYSA-N -1 1 394.456 3.556 20 30 GHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)C(C)(C)CCN2C(=O)OC(C)(C)C ZINC001193161794 870927538 /nfs/dbraw/zinc/92/75/38/870927538.db2.gz STIOLTVVDYWYGN-ZDUSSCGKSA-N -1 1 393.509 3.763 20 30 GHEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)Oc1ccc(F)cc1 ZINC001195003753 872097798 /nfs/dbraw/zinc/09/77/98/872097798.db2.gz 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N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CC[C@@H](O)[C@@H]3Cc3ccccc3)c2)c1 ZINC001196316555 873055481 /nfs/dbraw/zinc/05/54/81/873055481.db2.gz WGPBSMDUOBYVJK-BJKOFHAPSA-N -1 1 398.462 3.749 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)cc1 ZINC001196490989 873168284 /nfs/dbraw/zinc/16/82/84/873168284.db2.gz SBTZJXFGXULICM-UHFFFAOYSA-N -1 1 398.444 3.578 20 30 GHEDMM COc1ccc(C(C)=O)c([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1Cl ZINC001196690371 873329960 /nfs/dbraw/zinc/32/99/60/873329960.db2.gz NFPXNWOUZXXUSB-UHFFFAOYSA-N -1 1 399.255 3.877 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)ccc1Br ZINC001197271427 873686773 /nfs/dbraw/zinc/68/67/73/873686773.db2.gz KSMDUYHDHPFXLL-UHFFFAOYSA-N -1 1 394.275 3.731 20 30 GHEDMM CC(C)Oc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)c1 ZINC001197310542 873699311 /nfs/dbraw/zinc/69/93/11/873699311.db2.gz CTCXMAOCMNWGCL-UHFFFAOYSA-N -1 1 395.278 3.909 20 30 GHEDMM Cc1noc2ccc([N-]S(=O)(=O)c3ccc(Br)c(C#N)c3)cc12 ZINC001197312320 873700524 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CCCCCCN(O)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001472619372 1073579683 /nfs/dbraw/zinc/57/96/83/1073579683.db2.gz JNTKUQZEEYCFLK-UHFFFAOYSA-N -1 1 376.478 3.899 20 30 GHEDMM O=C(c1nnn(-c2ccccc2)c1C(F)F)N([O-])Cc1ccccc1Cl ZINC001472620185 1073581237 /nfs/dbraw/zinc/58/12/37/1073581237.db2.gz SATZNIVOGIKSJA-UHFFFAOYSA-N -1 1 378.766 3.890 20 30 GHEDMM N#Cc1cccc(-c2nc(NC(=O)c3cc(Cc4ccccc4)ccc3[O-])n[nH]2)c1 ZINC001472633267 1073587851 /nfs/dbraw/zinc/58/78/51/1073587851.db2.gz KYJGNGXHHFJMKE-UHFFFAOYSA-N -1 1 395.422 3.892 20 30 GHEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCC2=CCCCC2)cc1Br ZINC001474767468 1074551055 /nfs/dbraw/zinc/55/10/55/1074551055.db2.gz WQFAJQDXQZUSCO-UHFFFAOYSA-N -1 1 387.274 3.629 20 30 GHEDMM C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C(C)(C)C ZINC001476331684 1075126606 /nfs/dbraw/zinc/12/66/06/1075126606.db2.gz ZTNZQKYSTKWSCY-SFHVURJKSA-N -1 1 385.489 3.657 20 30 GHEDMM N#Cc1cc(Br)ccc1CN[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001601085330 1126221750 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AHTXFUKQNIJSBP-UHFFFAOYSA-N -1 1 383.454 3.673 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)ccc1C#N ZINC000435731498 850795853 /nfs/dbraw/zinc/79/58/53/850795853.db2.gz KEYBMWQDSYDHLP-UHFFFAOYSA-N -1 1 397.481 3.981 20 30 GHEDMM O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043997224 851228314 /nfs/dbraw/zinc/22/83/14/851228314.db2.gz HCHPUNVDJDBANB-UHFFFAOYSA-N -1 1 387.268 3.978 20 30 GHEDMM CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436920837 852501320 /nfs/dbraw/zinc/50/13/20/852501320.db2.gz AWOOXPXRBLJIKS-UHFFFAOYSA-N -1 1 378.350 3.571 20 30 GHEDMM N#CCCCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489744926 852566057 /nfs/dbraw/zinc/56/60/57/852566057.db2.gz XZVPNSJAQKCYAB-UHFFFAOYSA-N -1 1 394.836 3.522 20 30 GHEDMM CCCc1c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)[nH]c(C)c1C(C)=O ZINC000517916719 852601462 /nfs/dbraw/zinc/60/14/62/852601462.db2.gz ZVXNGYGAIJEXDQ-ZDUSSCGKSA-N -1 1 387.461 3.602 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc2)cc1C ZINC000427485830 853163414 /nfs/dbraw/zinc/16/34/14/853163414.db2.gz DJOFEQJAELWNHT-IBGZPJMESA-N -1 1 399.516 3.772 20 30 GHEDMM CCN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000439135822 853331768 /nfs/dbraw/zinc/33/17/68/853331768.db2.gz PDEGRIIBGYOPJM-UHFFFAOYSA-N -1 1 391.880 3.517 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1Cl ZINC000055579164 854012504 /nfs/dbraw/zinc/01/25/04/854012504.db2.gz WXGNYRGYTDNKSU-UHFFFAOYSA-N -1 1 390.770 3.954 20 30 GHEDMM CCOC(=O)c1sc(NC(=O)c2cc([O-])cc(C#N)c2)nc1-c1ccccc1 ZINC000589166320 854710768 /nfs/dbraw/zinc/71/07/68/854710768.db2.gz CGEPJUFGYCLYPV-UHFFFAOYSA-N -1 1 393.424 3.816 20 30 GHEDMM COc1ccc(NC(=O)N2CCC[C@@H]2CC(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000331071536 854797759 /nfs/dbraw/zinc/79/77/59/854797759.db2.gz TZKIGHUCVIIDRB-CQSZACIVSA-N -1 1 383.514 3.513 20 30 GHEDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)cc2o1 ZINC000574706338 855766012 /nfs/dbraw/zinc/76/60/12/855766012.db2.gz FSLJVFWNHIJYNX-UHFFFAOYSA-N -1 1 392.234 3.571 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000060274883 856268275 /nfs/dbraw/zinc/26/82/75/856268275.db2.gz QCSWMLZXLXVQKF-UHFFFAOYSA-N -1 1 398.488 3.767 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@]3(C#N)CC3(C)C)c2)c1 ZINC000427891546 856850121 /nfs/dbraw/zinc/85/01/21/856850121.db2.gz LPAKXWYHEBEUTA-NRFANRHFSA-N -1 1 397.500 3.526 20 30 GHEDMM C=C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000428052216 857063595 /nfs/dbraw/zinc/06/35/95/857063595.db2.gz HIXMEDNTXXRCKJ-SFHVURJKSA-N -1 1 388.464 3.807 20 30 GHEDMM COCCc1nc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)ccc2o1 ZINC000593276844 857475569 /nfs/dbraw/zinc/47/55/69/857475569.db2.gz XKAHZLOIHSGXLY-UHFFFAOYSA-N -1 1 399.472 3.619 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1C ZINC000114673808 858159097 /nfs/dbraw/zinc/15/90/97/858159097.db2.gz NWBYDYCIQAKFFR-UHFFFAOYSA-N -1 1 397.500 3.648 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)ccc1C(F)(F)F ZINC000443397565 858638463 /nfs/dbraw/zinc/63/84/63/858638463.db2.gz FDFDAGRMHUPHTR-UHFFFAOYSA-N -1 1 392.362 3.768 20 30 GHEDMM C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000116852866 859193621 /nfs/dbraw/zinc/19/36/21/859193621.db2.gz HNWPYEMUQFIMPQ-HNNXBMFYSA-N -1 1 388.489 3.581 20 30 GHEDMM N#CC(=C([O-])c1ccc2nc(C(F)(F)F)cn2c1)c1cnc2ccccc2n1 ZINC000483219278 859229185 /nfs/dbraw/zinc/22/91/85/859229185.db2.gz JYUPHKUKOZSTIS-GFCCVEGCSA-N -1 1 381.317 3.786 20 30 GHEDMM C=CC[C@H](C)NC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000116972469 859249511 /nfs/dbraw/zinc/24/95/11/859249511.db2.gz QCTAMPOOVOTJOC-INIZCTEOSA-N -1 1 387.505 3.593 20 30 GHEDMM CSc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000597550320 859626301 /nfs/dbraw/zinc/62/63/01/859626301.db2.gz RUXYFJGMCNYGBX-UHFFFAOYSA-N -1 1 395.484 3.949 20 30 GHEDMM COc1ccc(NC(=S)NN=Cc2ccc([O-])c(Br)c2)cc1F ZINC000727261177 860018356 /nfs/dbraw/zinc/01/83/56/860018356.db2.gz ULCPUXILAOABQN-UHFFFAOYSA-N -1 1 398.257 3.623 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCCC(C)(C)C#N)c2)cc1 ZINC000785436458 860410521 /nfs/dbraw/zinc/41/05/21/860410521.db2.gz RRBPTERHEMSPSU-UHFFFAOYSA-N -1 1 386.473 3.893 20 30 GHEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2N2CCC[C@H](CC#N)C2)cc1 ZINC000603402889 860698298 /nfs/dbraw/zinc/69/82/98/860698298.db2.gz FGBJTLDSMXYAJT-MRXNPFEDSA-N -1 1 385.489 3.626 20 30 GHEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000733810035 863175577 /nfs/dbraw/zinc/17/55/77/863175577.db2.gz QLQUEAXBLKLNIG-CQSZACIVSA-N -1 1 389.249 3.766 20 30 GHEDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000165172478 864654692 /nfs/dbraw/zinc/65/46/92/864654692.db2.gz MARGUUDVNUDMCJ-UHFFFAOYSA-N -1 1 399.350 3.903 20 30 GHEDMM CCO[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C12CCCCC2 ZINC000736615696 865248330 /nfs/dbraw/zinc/24/83/30/865248330.db2.gz KXFFUKXHRGDUQB-CYBMUJFWSA-N -1 1 387.488 3.679 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C#N)CC(C)C)ccc2C)c1 ZINC000608820960 865755514 /nfs/dbraw/zinc/75/55/14/865755514.db2.gz LEUBBBMCRWNKMY-IBGZPJMESA-N -1 1 399.516 3.772 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C#N)CC(C)C)cc2)cc1C ZINC000608823304 865757000 /nfs/dbraw/zinc/75/70/00/865757000.db2.gz NBEMBXYXVCBTNW-IBGZPJMESA-N -1 1 399.516 3.772 20 30 GHEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000553106282 866810813 /nfs/dbraw/zinc/81/08/13/866810813.db2.gz XJJDRBSOWKVZEA-UHFFFAOYSA-N -1 1 385.512 3.784 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000523300701 867015525 /nfs/dbraw/zinc/01/55/25/867015525.db2.gz LVSSWBBJJGJGFP-UHFFFAOYSA-N -1 1 387.379 3.993 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)CCC#N)cc1 ZINC000553752046 868125716 /nfs/dbraw/zinc/12/57/16/868125716.db2.gz DZNJJTOATOSAAH-UHFFFAOYSA-N -1 1 399.516 3.856 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCC2(C#N)CCC2)cc1 ZINC000183872265 868495988 /nfs/dbraw/zinc/49/59/88/868495988.db2.gz WELFAOJXXMJVQU-UHFFFAOYSA-N -1 1 384.457 3.647 20 30 GHEDMM N#Cc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)c2nc3ccccc3[nH]2)cc1[O-] ZINC000443077939 869347580 /nfs/dbraw/zinc/34/75/80/869347580.db2.gz VKMDCAOQFLGWPC-HXUWFJFHSA-N -1 1 398.422 3.560 20 30 GHEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000539948398 870060456 /nfs/dbraw/zinc/06/04/56/870060456.db2.gz HUXQAOUDJDRIKB-CYBMUJFWSA-N -1 1 376.306 3.527 20 30 GHEDMM CC(C)(C)c1cc([N-]S(=O)(=O)CC#N)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC001192943043 870776592 /nfs/dbraw/zinc/77/65/92/870776592.db2.gz HPUYBCICGQCSNH-UHFFFAOYSA-N -1 1 387.292 3.742 20 30 GHEDMM C=CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1CC1 ZINC000539034719 871166726 /nfs/dbraw/zinc/16/67/26/871166726.db2.gz KSMZAKMVXLIRBI-UHFFFAOYSA-N -1 1 390.892 3.931 20 30 GHEDMM C#Cc1cccc(N(CC)C(=O)Cn2c(-c3cccc(C)c3)n[n-]c2=S)c1 ZINC000103101586 871274431 /nfs/dbraw/zinc/27/44/31/871274431.db2.gz PHLYDNBZMXTQFS-UHFFFAOYSA-N -1 1 376.485 3.951 20 30 GHEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(C)c1 ZINC000443373479 871672697 /nfs/dbraw/zinc/67/26/97/871672697.db2.gz WYQADHWSIXMCBX-UHFFFAOYSA-N -1 1 395.278 3.829 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC4(C[C@@H]4CCO)CC3)c2)c1 ZINC001196309191 873003422 /nfs/dbraw/zinc/00/34/22/873003422.db2.gz PSHOEVRTJXWVKW-FQEVSTJZSA-N -1 1 376.456 3.556 20 30 GHEDMM Cc1cccnc1O[C@@H]1CCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196318145 873027272 /nfs/dbraw/zinc/02/72/72/873027272.db2.gz DNHJTZVFSVRPPN-JOCHJYFZSA-N -1 1 399.450 3.928 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCOC[C@@H]3c3cccnc3)c2)c1 ZINC001196319461 873028605 /nfs/dbraw/zinc/02/86/05/873028605.db2.gz UWYVBEGBUGYVCP-JOCHJYFZSA-N -1 1 385.423 3.540 20 30 GHEDMM Cc1nc[nH]c1CSCCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196330338 873035716 /nfs/dbraw/zinc/03/57/16/873035716.db2.gz PMGQRFDNBAHRIE-UHFFFAOYSA-N -1 1 392.484 3.626 20 30 GHEDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c3ccccc23)c1 ZINC001197066478 873575016 /nfs/dbraw/zinc/57/50/16/873575016.db2.gz JIAIJVVPWAOGPQ-FMIVXFBMSA-N -1 1 392.436 3.698 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@]3(C#N)C[C@@H]3C)ccc2C)c1 ZINC000448570949 873620541 /nfs/dbraw/zinc/62/05/41/873620541.db2.gz FJEQLNLEQIHADC-YWZLYKJASA-N -1 1 383.473 3.593 20 30 GHEDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)c1 ZINC001197320178 873706621 /nfs/dbraw/zinc/70/66/21/873706621.db2.gz PEQLYXZBOMGJRF-UHFFFAOYSA-N -1 1 393.262 3.714 20 30 GHEDMM CCOc1cccc(F)c1[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001197319922 873707308 /nfs/dbraw/zinc/70/73/08/873707308.db2.gz IYQOSESCRDQNDX-UHFFFAOYSA-N -1 1 399.241 3.659 20 30 GHEDMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001197564305 873902997 /nfs/dbraw/zinc/90/29/97/873902997.db2.gz GHRRUWDYUTUSEC-UHFFFAOYSA-N -1 1 388.264 3.599 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CCc3ccccn3)c2)cc1C#N ZINC001201287400 875591932 /nfs/dbraw/zinc/59/19/32/875591932.db2.gz IYMAXHCYSXEHTB-UHFFFAOYSA-N -1 1 377.469 3.848 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CN4C=CSC4=N3)c2)cc1C#N ZINC001201322520 875633623 /nfs/dbraw/zinc/63/36/23/875633623.db2.gz NCTAGAZIXAHPDJ-GOSISDBHSA-N -1 1 396.497 3.598 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OCC3(C#N)CC3)cc2)c1C ZINC000785514702 876082457 /nfs/dbraw/zinc/08/24/57/876082457.db2.gz FVXFFGNHPPCCPQ-UHFFFAOYSA-N -1 1 384.457 3.565 20 30 GHEDMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785566504 876133153 /nfs/dbraw/zinc/13/31/53/876133153.db2.gz FDNCXKIIHGXNPW-QZTJIDSGSA-N -1 1 399.491 3.516 20 30 GHEDMM C[C@H](Cc1ccco1)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000850738972 877132921 /nfs/dbraw/zinc/13/29/21/877132921.db2.gz IBHQAPPCJMPPTA-BXUZGUMPSA-N -1 1 381.457 3.924 20 30 GHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1C#N ZINC000152637519 877248036 /nfs/dbraw/zinc/24/80/36/877248036.db2.gz YAIAWQUMORXBCN-UHFFFAOYSA-N -1 1 385.420 3.834 20 30 GHEDMM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1cccc(Br)c1[O-] ZINC000787426805 877384272 /nfs/dbraw/zinc/38/42/72/877384272.db2.gz RADPKYFTLSSHTG-INIZCTEOSA-N -1 1 386.249 3.513 20 30 GHEDMM CC(C)c1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccn1 ZINC000533934551 877834173 /nfs/dbraw/zinc/83/41/73/877834173.db2.gz VLDDAWQCBABHSA-OAHLLOKOSA-N -1 1 384.443 3.767 20 30 GHEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(OC(C)C)c(Cl)c1 ZINC000788991560 878500699 /nfs/dbraw/zinc/50/06/99/878500699.db2.gz NPHTVBPXCYUUIF-UHFFFAOYSA-N -1 1 391.880 3.590 20 30 GHEDMM C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000531351505 879678293 /nfs/dbraw/zinc/67/82/93/879678293.db2.gz JEAOUAYBWNHHLC-UHFFFAOYSA-N -1 1 390.892 3.955 20 30 GHEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)nc2ccccc21 ZINC000184278377 880266193 /nfs/dbraw/zinc/26/61/93/880266193.db2.gz XCQQATIRWYIQED-CYBMUJFWSA-N -1 1 377.354 3.527 20 30 GHEDMM C=CCn1c([C@]2(C)CCCO2)n[n-]c1=N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000453440771 880901212 /nfs/dbraw/zinc/90/12/12/880901212.db2.gz NDMOTTXPSWOHRY-VHFSOBRXSA-N -1 1 390.915 3.753 20 30 GHEDMM C=C(C)Cn1c([C@@H]2CCCO2)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000453468898 880976217 /nfs/dbraw/zinc/97/62/17/880976217.db2.gz VNXLTFHCIZAALR-FHLIZLRMSA-N -1 1 390.915 3.969 20 30 GHEDMM C=CCCCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000135655812 883494282 /nfs/dbraw/zinc/49/42/82/883494282.db2.gz OSWMGLIRHHWWHP-UHFFFAOYSA-N -1 1 394.443 3.804 20 30 GHEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)ccc1C ZINC000609873143 883759823 /nfs/dbraw/zinc/75/98/23/883759823.db2.gz HQOFOBXBBYKECA-UHFFFAOYSA-N -1 1 389.502 3.760 20 30 GHEDMM CCCCc1oc2ccccc2c1C=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000914600414 884306050 /nfs/dbraw/zinc/30/60/50/884306050.db2.gz UFHPTCACXRCWNQ-UHFFFAOYSA-N -1 1 381.457 3.848 20 30 GHEDMM C=CCOc1c(Br)cc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC000263344461 884685654 /nfs/dbraw/zinc/68/56/54/884685654.db2.gz OFQQTXKXHXCRKE-TZMCWYRMSA-N 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O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N=NC[C@@H]1CC12CC2 ZINC000863064848 886863131 /nfs/dbraw/zinc/86/31/31/886863131.db2.gz TWFYNOTVOKESSD-ZDUSSCGKSA-N -1 1 386.433 3.593 20 30 GHEDMM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000809600331 887610084 /nfs/dbraw/zinc/61/00/84/887610084.db2.gz RRQNMMDPLJMOIT-UHFFFAOYSA-N -1 1 375.428 3.765 20 30 GHEDMM COc1cc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc(Br)c1O ZINC000915989100 888611128 /nfs/dbraw/zinc/61/11/28/888611128.db2.gz XNFHYWLIRUFXEN-NSIKDUERSA-N -1 1 377.190 3.794 20 30 GHEDMM Cc1cc(=O)[n-]c(NN=C2c3ccccc3N(Cc3ccccc3Cl)C2=O)n1 ZINC000916241588 888865274 /nfs/dbraw/zinc/86/52/74/888865274.db2.gz MDRLXQCISQXYHU-UHFFFAOYSA-N -1 1 393.834 3.507 20 30 GHEDMM Cc1cc(Br)oc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910899 890413020 /nfs/dbraw/zinc/41/30/20/890413020.db2.gz KCDLGYJNEKYTJJ-VIFPVBQESA-N -1 1 381.613 3.965 20 30 GHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)cc1 ZINC000916914913 890415868 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N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC3c4ccccc4C2c2ccccc23)o1 ZINC000517603977 852162881 /nfs/dbraw/zinc/16/28/81/852162881.db2.gz SOJIXPLGTDGYQI-FEEUCNAYSA-N -1 1 390.464 3.727 20 30 GHEDMM N#CC1(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)CCCCC1 ZINC000506979837 852416655 /nfs/dbraw/zinc/41/66/55/852416655.db2.gz SLKINGCUTSJBQK-UHFFFAOYSA-N -1 1 379.283 3.735 20 30 GHEDMM C=CCN(Cc1cccs1)C(=O)c1cc(I)ccc1[O-] ZINC000436875651 852442542 /nfs/dbraw/zinc/44/25/42/852442542.db2.gz VQZGKSLPHOBKDC-UHFFFAOYSA-N -1 1 399.253 3.887 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000489605116 852481927 /nfs/dbraw/zinc/48/19/27/852481927.db2.gz LDDIKQWQOBBJQK-UHFFFAOYSA-N -1 1 383.477 3.721 20 30 GHEDMM N#CC(=C([O-])c1ccc(C2=CCCC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000519727683 853411539 /nfs/dbraw/zinc/41/15/39/853411539.db2.gz AWYPQDWIVHZBAU-LJQANCHMSA-N -1 1 396.454 3.507 20 30 GHEDMM C=CCSc1ccccc1NC(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000570926890 853673642 /nfs/dbraw/zinc/67/36/42/853673642.db2.gz JYGGIWZTLJPOFD-ZWKOTPCHSA-N -1 1 396.512 3.703 20 30 GHEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](C)C#N)c2)cc1 ZINC000520359784 854133867 /nfs/dbraw/zinc/13/38/67/854133867.db2.gz ZNDGIBLFFSBKNO-MRXNPFEDSA-N -1 1 399.516 3.719 20 30 GHEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1Cl ZINC000481978666 862588745 /nfs/dbraw/zinc/58/87/45/862588745.db2.gz FKXAMFLLEZJGIR-UHFFFAOYSA-N -1 1 391.880 3.900 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)NCCCOc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000589194472 854741264 /nfs/dbraw/zinc/74/12/64/854741264.db2.gz YYICXYMRRTYOAH-UHFFFAOYSA-N -1 1 399.756 3.530 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000589558674 855027225 /nfs/dbraw/zinc/02/72/25/855027225.db2.gz XMHFYOPIURQSDK-UHFFFAOYSA-N -1 1 390.424 3.726 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1 ZINC000055652334 855367611 /nfs/dbraw/zinc/36/76/11/855367611.db2.gz KWHGDHJESNRPFW-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1S(=O)(=O)C1CCCC1 ZINC000590477886 855430225 /nfs/dbraw/zinc/43/02/25/855430225.db2.gz PTWIBQOCUNVUEI-UHFFFAOYSA-N -1 1 384.457 3.541 20 30 GHEDMM C#Cc1cccc(N(CC)C(=O)c2ccc(I)c([O-])c2)c1 ZINC000760862950 856187152 /nfs/dbraw/zinc/18/71/52/856187152.db2.gz FDHZJDXLJZHAEN-UHFFFAOYSA-N -1 1 391.208 3.645 20 30 GHEDMM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1nc2ccccc2n1C(F)F ZINC000172349346 856409084 /nfs/dbraw/zinc/40/90/84/856409084.db2.gz LZQZRPVZNRQHPF-GFCCVEGCSA-N -1 1 378.342 3.502 20 30 GHEDMM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)no1 ZINC000507904668 856674886 /nfs/dbraw/zinc/67/48/86/856674886.db2.gz LCSVDCADEAUFAM-UHFFFAOYSA-N -1 1 387.383 3.804 20 30 GHEDMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593199324 857388734 /nfs/dbraw/zinc/38/87/34/857388734.db2.gz ILPRZMWGMHOLNN-UHFFFAOYSA-N -1 1 399.516 3.735 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1OC(F)(F)F ZINC000442231932 857625053 /nfs/dbraw/zinc/62/50/53/857625053.db2.gz JMASRQLWOHGFQL-UHFFFAOYSA-N -1 1 399.375 3.867 20 30 GHEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)CCCC1 ZINC000593621655 857639513 /nfs/dbraw/zinc/63/95/13/857639513.db2.gz YZDUMRXCIUKOHH-UHFFFAOYSA-N -1 1 395.681 3.604 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)c(C)s1 ZINC000442255129 857688623 /nfs/dbraw/zinc/68/86/23/857688623.db2.gz UWLWUNHLXVSJIT-UHFFFAOYSA-N -1 1 376.381 3.936 20 30 GHEDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2O1 ZINC000442850829 858166827 /nfs/dbraw/zinc/16/68/27/858166827.db2.gz PVFVRHNLJVPWBT-QGZVFWFLSA-N -1 1 378.837 3.910 20 30 GHEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1[O-] ZINC000443137087 858411489 /nfs/dbraw/zinc/41/14/89/858411489.db2.gz XVQNOCRZWFWUHQ-CYBMUJFWSA-N -1 1 376.243 3.579 20 30 GHEDMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3CC#N)c2)cn1 ZINC000509392032 859281794 /nfs/dbraw/zinc/28/17/94/859281794.db2.gz NGNQFENOQGDRJB-UHFFFAOYSA-N -1 1 393.468 3.933 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000601826942 859573547 /nfs/dbraw/zinc/57/35/47/859573547.db2.gz QBADDGJSQSNKTR-FXAWDEMLSA-N -1 1 397.500 3.560 20 30 GHEDMM C#CCOc1cc(F)ccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765301429 859897941 /nfs/dbraw/zinc/89/79/41/859897941.db2.gz BJZQBTUIKLWDMD-UHFFFAOYSA-N -1 1 393.212 3.628 20 30 GHEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000128901278 860002020 /nfs/dbraw/zinc/00/20/20/860002020.db2.gz JOPSOMWNGLQFNY-CYBMUJFWSA-N -1 1 387.779 3.608 20 30 GHEDMM N#CC(=C([O-])c1c(Cl)nc2ccccn21)c1nc(-c2ccncc2)cs1 ZINC000114619903 881759760 /nfs/dbraw/zinc/75/97/60/881759760.db2.gz SPASUHSSVPRJGW-LBPRGKRZSA-N -1 1 379.832 3.996 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1CN(c1ccccn1)C2 ZINC000535231735 868377919 /nfs/dbraw/zinc/37/79/19/868377919.db2.gz ZGFGOCUOAGOZQT-UHFFFAOYSA-N -1 1 390.468 3.583 20 30 GHEDMM N#C[C@H](C(=O)[C@H]1Cc2ccccc21)c1nc(=O)c2c([n-]1)sc1c2CCCC1 ZINC000744017000 868530765 /nfs/dbraw/zinc/53/07/65/868530765.db2.gz XDNAYVYWZRBKKG-LSDHHAIUSA-N -1 1 375.453 3.792 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC(C)(C)CC#N)ccc2C)cc1 ZINC000457983025 869078418 /nfs/dbraw/zinc/07/84/18/869078418.db2.gz ANVGKBPUERLCDD-UHFFFAOYSA-N -1 1 399.516 3.774 20 30 GHEDMM CC[C@@H](c1nnc(NC([O-])=Nc2cc(C)n(CCC#N)n2)s1)c1ccccc1 ZINC000446156452 869471464 /nfs/dbraw/zinc/47/14/64/869471464.db2.gz AIDQJLBGDZMZTQ-OAHLLOKOSA-N -1 1 395.492 3.565 20 30 GHEDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000746054284 869983707 /nfs/dbraw/zinc/98/37/07/869983707.db2.gz QBDOVKHLXBUWGO-KRWDZBQOSA-N -1 1 396.424 3.743 20 30 GHEDMM Cc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192398726 870371091 /nfs/dbraw/zinc/37/10/91/870371091.db2.gz VSOGCTSVCHHBFN-UHFFFAOYSA-N -1 1 385.228 3.673 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2ncc3n2CCCC3)c1 ZINC000446949622 870788794 /nfs/dbraw/zinc/78/87/94/870788794.db2.gz IKQXWHMNDDEURU-UHFFFAOYSA-N -1 1 392.484 3.867 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)ccc1C(F)(F)F ZINC000443399792 872066723 /nfs/dbraw/zinc/06/67/23/872066723.db2.gz OGTXZGSDVYMNOO-UHFFFAOYSA-N -1 1 392.305 3.979 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CSc3ccc(Br)cc32)c1 ZINC000618885813 872088292 /nfs/dbraw/zinc/08/82/92/872088292.db2.gz JKVJIWVBISTGTB-AWEZNQCLSA-N -1 1 375.247 3.603 20 30 GHEDMM C=C1CC=C(F)C=C1NC(=O)c1cc(I)c(C)cc1[O-] ZINC001196140951 872894359 /nfs/dbraw/zinc/89/43/59/872894359.db2.gz ZGWSKSFLDLKTNJ-UHFFFAOYSA-N -1 1 385.176 3.732 20 30 GHEDMM Cn1cc(/C=C/C(=O)c2ccc([O-])cc2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000767878795 872908820 /nfs/dbraw/zinc/90/88/20/872908820.db2.gz AIVFEDDPHMRCEL-WEVVVXLNSA-N -1 1 376.412 3.850 20 30 GHEDMM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(F)c(-c2c(F)cccc2F)n1 ZINC001196306595 872999137 /nfs/dbraw/zinc/99/91/37/872999137.db2.gz GTLYUMOJLXZTPI-UHFFFAOYSA-N -1 1 386.333 3.605 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NC3(C#N)Cc4ccccc4C3)c2)c1 ZINC001196328735 873034151 /nfs/dbraw/zinc/03/41/51/873034151.db2.gz MROVXVFRAFCJBS-UHFFFAOYSA-N -1 1 379.419 3.722 20 30 GHEDMM N#Cc1cnc([N-]C(=O)c2snc(Cl)c2Cl)c(Br)c1 ZINC001196334620 873040576 /nfs/dbraw/zinc/04/05/76/873040576.db2.gz XQXKPWULTUWIAZ-UHFFFAOYSA-N -1 1 378.038 3.731 20 30 GHEDMM CC1(C)C(=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000768481669 873322330 /nfs/dbraw/zinc/32/23/30/873322330.db2.gz DUFCRXQKYZIYTF-QGZVFWFLSA-N -1 1 387.461 3.584 20 30 GHEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccc(-c2ccc(C#N)cc2)o1 ZINC001197388084 873760117 /nfs/dbraw/zinc/76/01/17/873760117.db2.gz UAKHGMCWYXESEP-UHFFFAOYSA-N -1 1 377.381 3.790 20 30 GHEDMM CCO[C@H]1CC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)C12CCCCC2 ZINC000769808102 874299459 /nfs/dbraw/zinc/29/94/59/874299459.db2.gz BCNFMKIMBFSIRO-HNNXBMFYSA-N -1 1 386.500 3.814 20 30 GHEDMM O=C1c2ccccc2C([N-]S(=O)(=O)c2cccc(Cl)n2)=C1c1ccccc1 ZINC001198246126 874308261 /nfs/dbraw/zinc/30/82/61/874308261.db2.gz AVIUTLDUOKTPSZ-UHFFFAOYSA-N -1 1 396.855 3.778 20 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ZINC000615889256 878223979 /nfs/dbraw/zinc/22/39/79/878223979.db2.gz XAALDNYRXWUVSE-UHFFFAOYSA-N -1 1 377.625 3.883 20 30 GHEDMM O=C(CNCC(F)(F)F)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000538347169 879326321 /nfs/dbraw/zinc/32/63/21/879326321.db2.gz HZWQUPIRNLEAOM-JTQLQIEISA-N -1 1 382.226 3.577 20 30 GHEDMM CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000790070548 879413759 /nfs/dbraw/zinc/41/37/59/879413759.db2.gz CIARZBDNIUKMJD-UHFFFAOYSA-N -1 1 399.491 3.516 20 30 GHEDMM C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000791202561 880242805 /nfs/dbraw/zinc/24/28/05/880242805.db2.gz PQIRBYWHBWBNRZ-KRWDZBQOSA-N -1 1 384.501 3.636 20 30 GHEDMM C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(C)C ZINC000760528440 883441917 /nfs/dbraw/zinc/44/19/17/883441917.db2.gz WMBOGFOYCWHVJI-UHFFFAOYSA-N -1 1 390.480 3.972 20 30 GHEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000064476506 883475106 /nfs/dbraw/zinc/47/51/06/883475106.db2.gz KOCWBJMHKKTHSH-UHFFFAOYSA-N -1 1 387.461 3.518 20 30 GHEDMM C=C(C)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000024457781 883847995 /nfs/dbraw/zinc/84/79/95/883847995.db2.gz SKCRTRHBGNDIAM-UHFFFAOYSA-N -1 1 390.480 3.973 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(OCc3ccccc3F)c2)c(=O)o1 ZINC000130663599 885888711 /nfs/dbraw/zinc/88/87/11/885888711.db2.gz MDRUMNHRNURBPE-YUQDSPFASA-N -1 1 380.371 3.633 20 30 GHEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000055640093 886127358 /nfs/dbraw/zinc/12/73/58/886127358.db2.gz SLILFDMBLLFRAX-UHFFFAOYSA-N -1 1 395.278 3.932 20 30 GHEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000057123561 886472788 /nfs/dbraw/zinc/47/27/88/886472788.db2.gz CXZJTVXWLQWDGT-UHFFFAOYSA-N -1 1 398.484 3.504 20 30 GHEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@H]1CCc2ccccc2C1 ZINC000863075375 886868492 /nfs/dbraw/zinc/86/84/92/886868492.db2.gz MCGXSFMFDWYSCE-AWEZNQCLSA-N -1 1 396.472 3.662 20 30 GHEDMM 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Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3nc4ccccc4s3)o2)c(=O)o1 ZINC000119863926 919661834 /nfs/dbraw/zinc/66/18/34/919661834.db2.gz LNLKKPSPUCDLDV-JHTBKMLMSA-N -1 1 379.393 3.785 20 30 GHEDMM C=CC[C@H](CC)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000410122582 925335329 /nfs/dbraw/zinc/33/53/29/925335329.db2.gz ZODWZIOALMOFIE-INIZCTEOSA-N -1 1 376.453 3.711 20 30 GHEDMM C=CC[C@H](CC)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000410128217 925340268 /nfs/dbraw/zinc/34/02/68/925340268.db2.gz QVXGRRNQCAEFAW-KRWDZBQOSA-N -1 1 390.480 3.640 20 30 GHEDMM C[C@H]1Cc2sc([N-]C(=O)c3ccc(S(C)(=O)=O)o3)c(C#N)c2[C@@H](C)C1 ZINC000411020243 925999670 /nfs/dbraw/zinc/99/96/70/925999670.db2.gz VTXWOELLXMPYSH-ZJUUUORDSA-N -1 1 378.475 3.554 20 30 GHEDMM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccc(C#N)s1 ZINC000750684052 927795181 /nfs/dbraw/zinc/79/51/81/927795181.db2.gz LNNYYLBOXAYJFB-LBPRGKRZSA-N -1 1 377.397 3.896 20 30 GHEDMM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1C#N ZINC000751548345 928241726 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397.500 3.801 20 30 GHEDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000022931215 835706705 /nfs/dbraw/zinc/70/67/05/835706705.db2.gz USYUZUAIDZLCCN-JTQLQIEISA-N -1 1 388.518 3.676 20 30 GHEDMM COCc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000047362052 835833104 /nfs/dbraw/zinc/83/31/04/835833104.db2.gz MVFHVZKITPRSSB-OAHLLOKOSA-N -1 1 393.468 3.912 20 30 GHEDMM CSc1nc(Cl)c(/C=N/[O-])c(N(CC(=O)c2ccccc2)C(C)C)n1 ZINC001167134206 836521227 /nfs/dbraw/zinc/52/12/27/836521227.db2.gz TUMGUDQRBHOJAD-DJKKODMXSA-N -1 1 378.885 3.758 20 30 GHEDMM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180376889 837189034 /nfs/dbraw/zinc/18/90/34/837189034.db2.gz WLGLYUMCSCYSTP-UHFFFAOYSA-N -1 1 378.350 3.571 20 30 GHEDMM N#Cc1c(F)cccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000188993428 838042285 /nfs/dbraw/zinc/04/22/85/838042285.db2.gz DZKIZJPXMHMTSV-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM CCOc1cc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)ccc1OC(F)F ZINC000614361356 844291665 /nfs/dbraw/zinc/29/16/65/844291665.db2.gz NPEJFNCGVLXDNA-UHFFFAOYSA-N -1 1 376.359 3.536 20 30 GHEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3F)n2)c1 ZINC000120248754 838934735 /nfs/dbraw/zinc/93/47/35/838934735.db2.gz JMFPELYUAGGSGP-HNNXBMFYSA-N -1 1 395.415 3.919 20 30 GHEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cc(C(F)(F)F)ccc1Cl ZINC000255300107 841340570 /nfs/dbraw/zinc/34/05/70/841340570.db2.gz OCNLDFHSVUNNFR-PZBKNZOISA-N -1 1 381.741 3.697 20 30 GHEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1sc(COC)nc1C ZINC000136603317 841755403 /nfs/dbraw/zinc/75/54/03/841755403.db2.gz NABXPRSCHGOPGD-OAHLLOKOSA-N -1 1 385.489 3.684 20 30 GHEDMM Cc1nn(-c2ccccc2)c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1C#N ZINC000261430660 842686568 /nfs/dbraw/zinc/68/65/68/842686568.db2.gz RHMBPMXVDNHISB-UHFFFAOYSA-N -1 1 391.378 3.859 20 30 GHEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432781120 843807278 /nfs/dbraw/zinc/80/72/78/843807278.db2.gz PZZUCNFIBMXWOI-CQSZACIVSA-N -1 1 375.519 3.805 20 30 GHEDMM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)n1 ZINC000603975706 861523682 /nfs/dbraw/zinc/52/36/82/861523682.db2.gz JEYDLASXTMXMCV-UHFFFAOYSA-N -1 1 386.864 3.815 20 30 GHEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000182922570 845596226 /nfs/dbraw/zinc/59/62/26/845596226.db2.gz MQBLHFUFLMHZCV-NSHDSACASA-N -1 1 375.222 3.741 20 30 GHEDMM N#C[C@H](C(=O)CC1CCSCC1)c1nc(=O)c2c([n-]1)sc1c2CCCC1 ZINC000134965945 846401666 /nfs/dbraw/zinc/40/16/66/846401666.db2.gz LRDWLAQQCXYRKM-CYBMUJFWSA-N -1 1 387.530 3.573 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1C(F)(F)F ZINC000435155733 850135146 /nfs/dbraw/zinc/13/51/46/850135146.db2.gz PKJBUOYPVGEXGF-UHFFFAOYSA-N -1 1 382.363 3.703 20 30 GHEDMM C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000909110800 850593298 /nfs/dbraw/zinc/59/32/98/850593298.db2.gz UBJUREAXLOSKPD-CALCHBBNSA-N -1 1 376.456 3.596 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCC#N)CC3CC3)c2)cc1 ZINC000505195790 850704717 /nfs/dbraw/zinc/70/47/17/850704717.db2.gz DAWIOCFVCHQQFS-UHFFFAOYSA-N -1 1 397.500 3.562 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)ccc1C#N ZINC000435718395 850802555 /nfs/dbraw/zinc/80/25/55/850802555.db2.gz DIITUDABBJXVJO-UHFFFAOYSA-N -1 1 380.429 3.558 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)ccc1C#N ZINC000435757905 850852774 /nfs/dbraw/zinc/85/27/74/850852774.db2.gz CWULKANTZGNCIE-UHFFFAOYSA-N -1 1 398.513 3.877 20 30 GHEDMM Cc1nc(CNCc2cccc(OCc3cccc(C#N)c3)c2)ccc1C(=O)[O-] ZINC000426648236 851138236 /nfs/dbraw/zinc/13/82/36/851138236.db2.gz PZQWYMZHDUBUJN-UHFFFAOYSA-N -1 1 387.439 3.829 20 30 GHEDMM Cc1oc(C#N)cc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000436076164 851190264 /nfs/dbraw/zinc/19/02/64/851190264.db2.gz OZRFKDGVTFWAKN-UHFFFAOYSA-N -1 1 399.403 3.652 20 30 GHEDMM C=C[C@H](C)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436585396 852093954 /nfs/dbraw/zinc/09/39/54/852093954.db2.gz PYYRFFCWFSPTQB-NSHDSACASA-N -1 1 389.249 3.711 20 30 GHEDMM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000029047847 852447123 /nfs/dbraw/zinc/44/71/23/852447123.db2.gz ZNDLZOHNMIQXHC-NRFANRHFSA-N -1 1 389.430 3.707 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1F ZINC000427263003 852916290 /nfs/dbraw/zinc/91/62/90/852916290.db2.gz ORXAVPBQJINZQK-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1F ZINC000427351853 853015552 /nfs/dbraw/zinc/01/55/52/853015552.db2.gz ILGKIYVMSHLIRP-UHFFFAOYSA-N -1 1 392.415 3.837 20 30 GHEDMM N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000490632557 853153876 /nfs/dbraw/zinc/15/38/76/853153876.db2.gz WTRZMEPBFDVZEH-UHFFFAOYSA-N -1 1 376.372 3.820 20 30 GHEDMM Cc1nn(C(C)C)cc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000517172352 853466737 /nfs/dbraw/zinc/46/67/37/853466737.db2.gz JXQUPPWOGUVRER-ZDUSSCGKSA-N -1 1 395.488 3.852 20 30 GHEDMM N#C[C@@]1(C(=O)N=c2cc(-c3ccc(Br)s3)[n-][nH]2)CC12CCCC2 ZINC000519801770 853515899 /nfs/dbraw/zinc/51/58/99/853515899.db2.gz BJHIFCRVJIUZDO-MRXNPFEDSA-N -1 1 391.294 3.735 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc1F ZINC000055595597 854015118 /nfs/dbraw/zinc/01/51/18/854015118.db2.gz HJIXAEZIVCOMKD-UHFFFAOYSA-N -1 1 388.342 3.748 20 30 GHEDMM CCC1CCC(N(C)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000331011665 854794697 /nfs/dbraw/zinc/79/46/97/854794697.db2.gz FFILZTWKNPFMCU-UHFFFAOYSA-N -1 1 383.514 3.513 20 30 GHEDMM CCCC1CCC(N(C)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000331132629 854820801 /nfs/dbraw/zinc/82/08/01/854820801.db2.gz BUEWFZAAHZFLGB-UHFFFAOYSA-N -1 1 397.541 3.903 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000589558229 855026563 /nfs/dbraw/zinc/02/65/63/855026563.db2.gz HYRRTTDAAUOHMW-UHFFFAOYSA-N -1 1 390.424 3.612 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@H]3CCCO3)c2)ccc1Cl ZINC000055583910 855350019 /nfs/dbraw/zinc/35/00/19/855350019.db2.gz VTLFBURSSVMHBO-MRXNPFEDSA-N -1 1 392.864 3.570 20 30 GHEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000590451558 855426281 /nfs/dbraw/zinc/42/62/81/855426281.db2.gz MBXNHPFSFJBXDQ-KPZWWZAWSA-N -1 1 390.361 3.885 20 30 GHEDMM N#CCC1(CS(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000590598141 855504529 /nfs/dbraw/zinc/50/45/29/855504529.db2.gz IWJGOCLZIQGJKX-UHFFFAOYSA-N -1 1 386.429 3.613 20 30 GHEDMM C[C@H]1c2c(sc([N-]C(=O)c3nnn(C)c3C(F)(F)F)c2C#N)CC[C@@H]1C ZINC000905823637 856635599 /nfs/dbraw/zinc/63/55/99/856635599.db2.gz HZRLWJJHDVLECU-JGVFFNPUSA-N -1 1 383.399 3.705 20 30 GHEDMM Cc1cc(N2CCCCCC2)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427794296 856722818 /nfs/dbraw/zinc/72/28/18/856722818.db2.gz STLZEAOFWOQLDY-UHFFFAOYSA-N -1 1 384.505 3.751 20 30 GHEDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2F)cc1OCCCC#N ZINC000569115797 856931385 /nfs/dbraw/zinc/93/13/85/856931385.db2.gz ZIBCEXIGAFNYIF-LJQANCHMSA-N -1 1 390.386 3.571 20 30 GHEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000428048000 857059021 /nfs/dbraw/zinc/05/90/21/857059021.db2.gz HMJQHQJHKPZEAM-LJQANCHMSA-N -1 1 384.501 3.977 20 30 GHEDMM COc1cc(OC)c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1OC ZINC000592974632 857145164 /nfs/dbraw/zinc/14/51/64/857145164.db2.gz VVIWSTHGHOYORW-LBPRGKRZSA-N -1 1 386.404 3.951 20 30 GHEDMM Cc1cc(F)cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000173916593 857182992 /nfs/dbraw/zinc/18/29/92/857182992.db2.gz BSGBGVOYNFYWLW-CQSZACIVSA-N -1 1 381.432 3.801 20 30 GHEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000174743485 857375623 /nfs/dbraw/zinc/37/56/23/857375623.db2.gz KNLOFSARAQYSIB-UHFFFAOYSA-N -1 1 397.378 3.726 20 30 GHEDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2O1 ZINC000442850827 858166910 /nfs/dbraw/zinc/16/69/10/858166910.db2.gz PVFVRHNLJVPWBT-KRWDZBQOSA-N -1 1 378.837 3.910 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCCCCC#N)c2)cc1 ZINC000761187682 859014765 /nfs/dbraw/zinc/01/47/65/859014765.db2.gz XUKWIWNTNYZKPZ-UHFFFAOYSA-N -1 1 386.473 3.955 20 30 GHEDMM N#C[C@H](C(=O)c1ccc2cc[nH]c2n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000543446193 859730196 /nfs/dbraw/zinc/73/01/96/859730196.db2.gz GPPOXOYMJSICAS-GFCCVEGCSA-N -1 1 389.440 3.642 20 30 GHEDMM CC[C@@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000102122713 860145510 /nfs/dbraw/zinc/14/55/10/860145510.db2.gz VIXCIDIBPYOTRX-ZBFHGGJFSA-N -1 1 391.479 3.519 20 30 GHEDMM COc1ccc(Cn2cc(C([O-])=C(C#N)c3ccc4ccccc4n3)cn2)cc1 ZINC000598368911 860249153 /nfs/dbraw/zinc/24/91/53/860249153.db2.gz DBMATKABCWGQSJ-FQEVSTJZSA-N -1 1 382.423 3.978 20 30 GHEDMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489791329 860753283 /nfs/dbraw/zinc/75/32/83/860753283.db2.gz ZDRJJXHNUGYUJW-QMMMGPOBSA-N -1 1 397.312 3.980 20 30 GHEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=NN=c1[n-]c(-c2ccccc2)no1 ZINC000735613871 864881672 /nfs/dbraw/zinc/88/16/72/864881672.db2.gz KKTKGKBOCVJYJU-UHFFFAOYSA-N -1 1 398.220 3.576 20 30 GHEDMM Cc1cc2c(c(Br)c1)NC(=O)C2=NN=c1nc(-c2ccccc2)[n-]o1 ZINC000735613871 864881684 /nfs/dbraw/zinc/88/16/84/864881684.db2.gz KKTKGKBOCVJYJU-UHFFFAOYSA-N -1 1 398.220 3.576 20 30 GHEDMM C[C@@H](C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1cccc(F)c1 ZINC000173916764 865235237 /nfs/dbraw/zinc/23/52/37/865235237.db2.gz XSWSIMMUOMGRMY-IAQYHMDHSA-N -1 1 395.459 3.982 20 30 GHEDMM CCC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000555138945 865596708 /nfs/dbraw/zinc/59/67/08/865596708.db2.gz WNFTVXNPJMYFAI-SFHVURJKSA-N -1 1 385.489 3.526 20 30 GHEDMM C=CCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000740211589 865858916 /nfs/dbraw/zinc/85/89/16/865858916.db2.gz SQOLNSXHUGKBBN-UHFFFAOYSA-N -1 1 375.446 3.619 20 30 GHEDMM CC(C)CCN=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000793092143 881923408 /nfs/dbraw/zinc/92/34/08/881923408.db2.gz JEQQSSHFVKQDAA-UHFFFAOYSA-N -1 1 376.438 3.839 20 30 GHEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(C)cc1C ZINC000478711270 866518754 /nfs/dbraw/zinc/51/87/54/866518754.db2.gz UANGQCLVEGARSD-UHFFFAOYSA-N -1 1 395.278 3.747 20 30 GHEDMM COc1cccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)cc2)c1 ZINC000609068497 867429355 /nfs/dbraw/zinc/42/93/55/867429355.db2.gz IRKNLIVSXLWQJM-UHFFFAOYSA-N -1 1 394.452 3.947 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)ccc1Cl ZINC000479294662 867528878 /nfs/dbraw/zinc/52/88/78/867528878.db2.gz ZMKSGMZKFVJYTL-UHFFFAOYSA-N -1 1 393.855 3.807 20 30 GHEDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[nH]n2)o1 ZINC000446638249 870128257 /nfs/dbraw/zinc/12/82/57/870128257.db2.gz OGQMHEZLHBGIEN-UHFFFAOYSA-N -1 1 396.350 3.669 20 30 GHEDMM CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443305811 870921619 /nfs/dbraw/zinc/92/16/19/870921619.db2.gz WRRXLUOEYMKSPK-UHFFFAOYSA-N -1 1 389.249 3.567 20 30 GHEDMM [O-]c1c(Cl)cc(Cl)cc1/C=N\CCN1CCN(Cc2ccccc2)CC1 ZINC000920944069 882465378 /nfs/dbraw/zinc/46/53/78/882465378.db2.gz OQHPKSAALKRIPI-UCQKPKSFSA-N -1 1 392.330 3.936 20 30 GHEDMM C=CCCC(C)(C)C[N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F ZINC001193386081 871069647 /nfs/dbraw/zinc/06/96/47/871069647.db2.gz LSJSTFMHARAZRY-XMMPIXPASA-N -1 1 398.472 3.860 20 30 GHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000615149440 871172860 /nfs/dbraw/zinc/17/28/60/871172860.db2.gz SUZJPOJYAHCAJX-MRXNPFEDSA-N -1 1 387.233 3.622 20 30 GHEDMM C#Cc1cccc(N(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000103103061 871275614 /nfs/dbraw/zinc/27/56/14/871275614.db2.gz MMFCRHOEQDDCMW-UHFFFAOYSA-N -1 1 390.464 3.745 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c(F)c1 ZINC000092262543 871577115 /nfs/dbraw/zinc/57/71/15/871577115.db2.gz BRCJBARDEWJECU-AWEZNQCLSA-N -1 1 390.333 3.808 20 30 GHEDMM N#C[C@@H](C(=O)CCc1cccs1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000069833460 871600518 /nfs/dbraw/zinc/60/05/18/871600518.db2.gz SRFJRECVEVZWIV-ZDUSSCGKSA-N -1 1 383.498 3.734 20 30 GHEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1F ZINC000443376712 871808554 /nfs/dbraw/zinc/80/85/54/871808554.db2.gz RROKCUSALHJHSI-UHFFFAOYSA-N -1 1 399.241 3.659 20 30 GHEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccc1C ZINC000443403023 872041955 /nfs/dbraw/zinc/04/19/55/872041955.db2.gz LVMUUGYALDIFFW-UHFFFAOYSA-N -1 1 397.378 3.645 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)ccc1C(F)(F)F ZINC000443407310 872312764 /nfs/dbraw/zinc/31/27/64/872312764.db2.gz CUALFTNJVCNPON-UHFFFAOYSA-N -1 1 382.363 3.703 20 30 GHEDMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461976 872657132 /nfs/dbraw/zinc/65/71/32/872657132.db2.gz MOQYHYKVYGAXJJ-INIZCTEOSA-N -1 1 397.500 3.568 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c(F)c1 ZINC000527210079 872810994 /nfs/dbraw/zinc/81/09/94/872810994.db2.gz VEGLBFZQMTUBNA-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM N#CCCn1ccc(N=C([O-])Nc2ncc(Cc3cccc(Cl)c3)s2)n1 ZINC000527301361 872940104 /nfs/dbraw/zinc/94/01/04/872940104.db2.gz KGRRPKNJTKWKDW-UHFFFAOYSA-N -1 1 386.868 3.563 20 30 GHEDMM Cc1coc([N-]C(=O)c2nc(-c3ccccc3)ncc2Br)c1C#N ZINC001196249206 872970304 /nfs/dbraw/zinc/97/03/04/872970304.db2.gz OTHQRXPXUCTTRM-UHFFFAOYSA-N -1 1 383.205 3.932 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NCCOc3ccccc3F)c2)c1 ZINC001196319632 873029292 /nfs/dbraw/zinc/02/92/92/873029292.db2.gz BZZVZFVLPSMFMV-UHFFFAOYSA-N -1 1 376.387 3.879 20 30 GHEDMM CCc1cc([N-]S(=O)(=O)c2cccc(/C=C/C(=O)OC)c2)cc(CC)c1C#N ZINC001197114228 873607085 /nfs/dbraw/zinc/60/70/85/873607085.db2.gz CXVXCLMMMPFDMH-MDZDMXLPSA-N -1 1 398.484 3.670 20 30 GHEDMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Br)c(C#N)c3)ccc2o1 ZINC001197311208 873699238 /nfs/dbraw/zinc/69/92/38/873699238.db2.gz YUBGMYVISHCMNX-UHFFFAOYSA-N -1 1 392.234 3.571 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)cc(F)c1F ZINC001197319588 873707203 /nfs/dbraw/zinc/70/72/03/873707203.db2.gz CSUPOFDPVXLHFZ-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM Cn1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c(C(C)(C)C)n1 ZINC000769568885 874164787 /nfs/dbraw/zinc/16/47/87/874164787.db2.gz CYQADMPZAASFTN-UHFFFAOYSA-N -1 1 386.550 3.772 20 30 GHEDMM C=CCc1cc(C(=O)Nc2nc(Br)ccc2[O-])cc(OC)c1OC ZINC000771573651 875323104 /nfs/dbraw/zinc/32/31/04/875323104.db2.gz BOXOKFJDRJNNDV-UHFFFAOYSA-N -1 1 393.237 3.548 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)c(F)c2)cc1C#N ZINC001201322579 875633262 /nfs/dbraw/zinc/63/32/62/875633262.db2.gz PDLHXFDLFIEZDW-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM COc1cc([N-]S(=O)(=O)c2ccc(Oc3ccncc3)cc2)ccc1C#N ZINC001201619961 875796075 /nfs/dbraw/zinc/79/60/75/875796075.db2.gz RPMNUHPOQKEWFB-UHFFFAOYSA-N -1 1 381.413 3.555 20 30 GHEDMM C[C@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1F ZINC000109038343 876579417 /nfs/dbraw/zinc/57/94/17/876579417.db2.gz JHKGROCPCVUATH-FZMZJTMJSA-N -1 1 395.459 3.982 20 30 GHEDMM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001183016864 912225976 /nfs/dbraw/zinc/22/59/76/912225976.db2.gz NALNSPXUADDWMI-SFHVURJKSA-N -1 1 379.416 3.694 20 30 GHEDMM N#Cc1ccc(C(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1[O-] ZINC000615456045 877756125 /nfs/dbraw/zinc/75/61/25/877756125.db2.gz WPONIAWSBABEGC-QWRGUYRKSA-N -1 1 380.288 3.903 20 30 GHEDMM N#CC1(c2ccccn2)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000374362213 878097952 /nfs/dbraw/zinc/09/79/52/878097952.db2.gz ZKHIAASIGIISET-UHFFFAOYSA-N -1 1 375.350 3.504 20 30 GHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 ZINC000177752821 878841657 /nfs/dbraw/zinc/84/16/57/878841657.db2.gz HVVSECNNMGJLBG-RDJZCZTQSA-N -1 1 383.473 3.874 20 30 GHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 ZINC000177752835 878841847 /nfs/dbraw/zinc/84/18/47/878841847.db2.gz HVVSECNNMGJLBG-WBVHZDCISA-N -1 1 383.473 3.874 20 30 GHEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1ccnn1-c1ccccc1 ZINC000790287496 879571816 /nfs/dbraw/zinc/57/18/16/879571816.db2.gz MCGJYWADEIECRM-UHFFFAOYSA-N -1 1 392.513 3.927 20 30 GHEDMM C[C@@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000112148707 879722674 /nfs/dbraw/zinc/72/26/74/879722674.db2.gz YFCJVSQLCPTSEH-XJKSGUPXSA-N -1 1 391.496 3.918 20 30 GHEDMM C#CCOc1ccc(F)cc1NC(=O)Cn1c(-c2cccc(C)c2)n[n-]c1=S ZINC000152956328 879981155 /nfs/dbraw/zinc/98/11/55/879981155.db2.gz VIWRMKLUHARLKE-UHFFFAOYSA-N -1 1 396.447 3.706 20 30 GHEDMM Cc1ncc(C=CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000112483514 879992280 /nfs/dbraw/zinc/99/22/80/879992280.db2.gz XIYGTLIPMUZYNP-KTRBRXNASA-N -1 1 396.497 3.518 20 30 GHEDMM C=C(C)CN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000183048070 880052922 /nfs/dbraw/zinc/05/29/22/880052922.db2.gz FHYBOJRHUCBANO-UHFFFAOYSA-N -1 1 376.453 3.583 20 30 GHEDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)cc2[nH]1 ZINC000531808562 880537117 /nfs/dbraw/zinc/53/71/17/880537117.db2.gz QPAYAGSMTPKLHI-UHFFFAOYSA-N -1 1 390.415 3.856 20 30 GHEDMM C=CCn1c([C@@H]2CCCO2)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000453428290 880930927 /nfs/dbraw/zinc/93/09/27/880930927.db2.gz ZZAXZOVVTKEGHY-XOKHGSTOSA-N -1 1 376.888 3.579 20 30 GHEDMM Cn1c2ccccc2nc1-c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000609812950 883715305 /nfs/dbraw/zinc/71/53/05/883715305.db2.gz OHRQBJCYMSLMND-UHFFFAOYSA-N -1 1 388.452 3.913 20 30 GHEDMM CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)ccc2s1 ZINC000475812681 884130247 /nfs/dbraw/zinc/13/02/47/884130247.db2.gz JNFVCBWNUICVJE-UHFFFAOYSA-N -1 1 386.454 3.750 20 30 GHEDMM Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000130136315 884214149 /nfs/dbraw/zinc/21/41/49/884214149.db2.gz ZWSHZYHBZUROLN-UHFFFAOYSA-N -1 1 383.473 3.818 20 30 GHEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)c(O)c1 ZINC000806558426 884811288 /nfs/dbraw/zinc/81/12/88/884811288.db2.gz CDBCJSBCXPBXDB-FPYGCLRLSA-N -1 1 375.380 3.961 20 30 GHEDMM C#CCCc1noc(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3C)c2)n1 ZINC000761998789 885178953 /nfs/dbraw/zinc/17/89/53/885178953.db2.gz HEXRIZHBWPWJTF-UHFFFAOYSA-N -1 1 381.457 3.720 20 30 GHEDMM CCCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000056484252 886301955 /nfs/dbraw/zinc/30/19/55/886301955.db2.gz QPVPERMJDTUWRI-UHFFFAOYSA-N -1 1 391.880 3.517 20 30 GHEDMM CCOc1cc(/C=C\C(=O)c2cc(OC)c([O-])c(OC)c2)c(F)cc1OC ZINC000863193995 886912891 /nfs/dbraw/zinc/91/28/91/886912891.db2.gz ZRUJYHILUOPRJE-SREVYHEPSA-N -1 1 376.380 3.852 20 30 GHEDMM C#Cc1ccccc1CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000810133360 888201336 /nfs/dbraw/zinc/20/13/36/888201336.db2.gz GGRKJNNBKOKJQN-UHFFFAOYSA-N -1 1 390.464 3.650 20 30 GHEDMM CN(C(=O)OC(C)(C)C)c1ccc(CC(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001184483021 913251986 /nfs/dbraw/zinc/25/19/86/913251986.db2.gz SXSOCYAODWMSEJ-UHFFFAOYSA-N -1 1 381.432 3.816 20 30 GHEDMM Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2C#N)cc1C(=O)[O-] ZINC001184696530 913363460 /nfs/dbraw/zinc/36/34/60/913363460.db2.gz ZFQSFCFLBKUCAB-UHFFFAOYSA-N -1 1 385.228 3.673 20 30 GHEDMM COc1cc(Br)c(/C=C2/Oc3cc([O-])ccc3C2=O)cc1OC ZINC000208886707 890767414 /nfs/dbraw/zinc/76/74/14/890767414.db2.gz XDESOMLPRIVUBR-OMCISZLKSA-N -1 1 377.190 3.788 20 30 GHEDMM N#CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000124561364 891681390 /nfs/dbraw/zinc/68/13/90/891681390.db2.gz RGUKROGVPLIMTD-CQSZACIVSA-N -1 1 379.825 3.572 20 30 GHEDMM CC(C)C#CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC001135482873 894654216 /nfs/dbraw/zinc/65/42/16/894654216.db2.gz LEPHYJIYHGEFAE-UHFFFAOYSA-N -1 1 376.865 3.739 20 30 GHEDMM N#Cc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1N1CCC(O)CC1 ZINC000816523814 894922471 /nfs/dbraw/zinc/92/24/71/894922471.db2.gz GDCFRRKSDJNCCM-UHFFFAOYSA-N -1 1 375.831 3.630 20 30 GHEDMM CC[C@@H](C)CCC(=O)N([O-])C(=Nc1ccc(F)c(Cl)c1)c1nonc1N ZINC001185562546 913955267 /nfs/dbraw/zinc/95/52/67/913955267.db2.gz JWBDRZWQLDZOGV-SECBINFHSA-N -1 1 383.811 3.567 20 30 GHEDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)N(CCC#N)c1ccccc1 ZINC000289590851 914254009 /nfs/dbraw/zinc/25/40/09/914254009.db2.gz SCFYKTSEKBKYEV-NSHDSACASA-N -1 1 378.404 3.547 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1Br ZINC000331898055 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C=C(C)Cn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(C)C[C@@H](C)CC ZINC001263315789 1046709451 /nfs/dbraw/zinc/70/94/51/1046709451.db2.gz HHGGDDFGRREBAM-HNNXBMFYSA-N -1 1 393.495 3.561 20 30 GHEDMM C#CCC1(NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CCCCC1 ZINC001304007647 1047560674 /nfs/dbraw/zinc/56/06/74/1047560674.db2.gz YGHPGFFERKYHRA-UHFFFAOYSA-N -1 1 398.381 3.959 20 30 GHEDMM C=C(C)Cn1c(-c2ccc(Cl)cc2[O-])nnc1N1CC[C@@H](COCC)C1 ZINC001342729165 1053324858 /nfs/dbraw/zinc/32/48/58/1053324858.db2.gz YZAXAVPFJUACEJ-CQSZACIVSA-N -1 1 376.888 3.743 20 30 GHEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1Cc2ccccc2[C@H]1C ZINC001342952534 1053456771 /nfs/dbraw/zinc/45/67/71/1053456771.db2.gz USSVOSXSNUQROO-CQSZACIVSA-N -1 1 388.475 3.975 20 30 GHEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)cc1 ZINC001319053842 1055011774 /nfs/dbraw/zinc/01/17/74/1055011774.db2.gz ZXKOPIBIHNTLNW-UHFFFAOYSA-N -1 1 392.484 3.753 20 30 GHEDMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC001319337278 1055191729 /nfs/dbraw/zinc/19/17/29/1055191729.db2.gz HHMFCFDYQVKACG-VWLOTQADSA-N -1 1 390.530 3.601 20 30 GHEDMM C=CCOc1ccc(C(=O)Nc2ccc(Br)c([O-])c2)cc1OC ZINC001338863412 1058839152 /nfs/dbraw/zinc/83/91/52/1058839152.db2.gz XPCNSPSHELGZCB-UHFFFAOYSA-N -1 1 378.222 3.980 20 30 GHEDMM C#CCC1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2)CCC1 ZINC001456080987 1062470804 /nfs/dbraw/zinc/47/08/04/1062470804.db2.gz DWGIVCPEJNTKMP-UHFFFAOYSA-N -1 1 396.512 3.780 20 30 GHEDMM C#C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001456959150 1062929911 /nfs/dbraw/zinc/92/99/11/1062929911.db2.gz SJIQBISIMBBZNB-HXUWFJFHSA-N -1 1 396.512 3.732 20 30 GHEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1c([O-])cnc2c(F)cccc21 ZINC001463895968 1064702291 /nfs/dbraw/zinc/70/22/91/1064702291.db2.gz HDJRHGZSJDHFBD-UHFFFAOYSA-N -1 1 388.320 3.880 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@@H]3CC[C@H](C#N)C3)c2)c1 ZINC001357608213 1067190966 /nfs/dbraw/zinc/19/09/66/1067190966.db2.gz DAYZLNQGRKPGFJ-MAUKXSAKSA-N -1 1 384.457 3.645 20 30 GHEDMM C#CCN(Cc1ccccc1)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC001467873508 1067510293 /nfs/dbraw/zinc/51/02/93/1067510293.db2.gz BTEQXXNWZODZEI-UHFFFAOYSA-N -1 1 395.256 3.979 20 30 GHEDMM C#C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(Br)cc1 ZINC001478895874 1079018547 /nfs/dbraw/zinc/01/85/47/1079018547.db2.gz HKFWJTUNCYHBRJ-OAHLLOKOSA-N -1 1 393.668 3.982 20 30 GHEDMM CCCCN(O)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC001472621335 1073580847 /nfs/dbraw/zinc/58/08/47/1073580847.db2.gz QGLJPWHLQBSVTB-UHFFFAOYSA-N -1 1 392.477 3.518 20 30 GHEDMM Cn1cc(C[NH2+]Cc2cccc(O)c2Br)c(-c2ccc(C#N)cc2)n1 ZINC001474108958 1074266061 /nfs/dbraw/zinc/26/60/61/1074266061.db2.gz MJRUEWLEIBXZCB-UHFFFAOYSA-N -1 1 397.276 3.717 20 30 GHEDMM Cc1cc2c(cc1C)C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)CCCO2 ZINC000737285744 598861754 /nfs/dbraw/zinc/86/17/54/598861754.db2.gz UKLLMGOBLKTTAB-UHFFFAOYSA-N -1 1 381.440 3.584 20 30 GHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H](C)Sc3sccc32)o1 ZINC000820197086 599335938 /nfs/dbraw/zinc/33/59/38/599335938.db2.gz GCCKMHSCWGMKRQ-QMMMGPOBSA-N -1 1 375.483 3.740 20 30 GHEDMM CC[C@@H](c1ccc(F)cc1F)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000829021136 601019061 /nfs/dbraw/zinc/01/90/61/601019061.db2.gz OREQEDPLMGLSCK-LEWJYISDSA-N -1 1 399.441 3.731 20 30 GHEDMM C[C@H](c1ccc(Cl)cc1)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000827935129 601021861 /nfs/dbraw/zinc/02/18/61/601021861.db2.gz NWIWQDLOEOSGQE-FOIQADDNSA-N -1 1 383.879 3.716 20 30 GHEDMM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000827217608 601861281 /nfs/dbraw/zinc/86/12/81/601861281.db2.gz GQTZGAWRUKKEFW-NSHDSACASA-N -1 1 394.449 3.719 20 30 GHEDMM C[C@@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@H](C)C2)c1ccc(C#N)cc1 ZINC000833616802 605085512 /nfs/dbraw/zinc/08/55/12/605085512.db2.gz HKHAXRRTNNSMHS-QWHCGFSZSA-N -1 1 397.500 3.732 20 30 GHEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1-c1cccc(Cl)c1 ZINC000822015797 606392147 /nfs/dbraw/zinc/39/21/47/606392147.db2.gz OTRLVLBBVLNKEA-ALCCZGGFSA-N -1 1 396.863 3.972 20 30 GHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Br)cc1F ZINC000822924097 607123014 /nfs/dbraw/zinc/12/30/14/607123014.db2.gz XDYTVWGPGHBGAY-DJWKRKHSSA-N -1 1 379.214 3.726 20 30 GHEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Br ZINC000826191063 608093408 /nfs/dbraw/zinc/09/34/08/608093408.db2.gz WDBNQNGHYDKUAZ-DUXPYHPUSA-N -1 1 391.250 3.595 20 30 GHEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Br ZINC000826191063 608093409 /nfs/dbraw/zinc/09/34/09/608093409.db2.gz WDBNQNGHYDKUAZ-DUXPYHPUSA-N -1 1 391.250 3.595 20 30 GHEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000823962102 608228096 /nfs/dbraw/zinc/22/80/96/608228096.db2.gz FELUJWFOZVNRFI-UHFFFAOYSA-N -1 1 377.811 3.781 20 30 GHEDMM CC[C@H](Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1)C(=O)[O-] ZINC000187047771 834994091 /nfs/dbraw/zinc/99/40/91/834994091.db2.gz WBBBYDZEJKDNJP-CQSZACIVSA-N -1 1 392.864 3.666 20 30 GHEDMM N#Cc1ccccc1CSCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000179264651 835414027 /nfs/dbraw/zinc/41/40/27/835414027.db2.gz OZOZFJURZFQQGP-UHFFFAOYSA-N -1 1 391.290 3.690 20 30 GHEDMM CC1(C)CO[C@H](CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000892424989 835500594 /nfs/dbraw/zinc/50/05/94/835500594.db2.gz VDNQLECYWPSGSI-DGCLKSJQSA-N -1 1 385.489 3.657 20 30 GHEDMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000584150330 835707269 /nfs/dbraw/zinc/70/72/69/835707269.db2.gz QZAXQEISSPHHIZ-UHFFFAOYSA-N -1 1 397.319 3.985 20 30 GHEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccncc2)s1 ZINC000179457195 835730439 /nfs/dbraw/zinc/73/04/39/835730439.db2.gz VVZMNVIFAPSOKR-CQSZACIVSA-N -1 1 392.440 3.565 20 30 GHEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(COc3ccc(C#N)cc3)o2)c1 ZINC000102816665 836019689 /nfs/dbraw/zinc/01/96/89/836019689.db2.gz PDUUBOKGIZTULE-HXUWFJFHSA-N -1 1 399.406 4.000 20 30 GHEDMM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(OC)c1OC(F)F ZINC000174014975 836364550 /nfs/dbraw/zinc/36/45/50/836364550.db2.gz MRKWIJMBKCDIKF-NSHDSACASA-N -1 1 388.326 3.936 20 30 GHEDMM N#CCn1c(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cc2ccccc21 ZINC000610766069 844156974 /nfs/dbraw/zinc/15/69/74/844156974.db2.gz NOQRZLGKLQKHHK-UHFFFAOYSA-N -1 1 377.354 3.507 20 30 GHEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c(=O)n(CC(F)(F)F)c3c2)n1 ZINC000659010613 837217607 /nfs/dbraw/zinc/21/76/07/837217607.db2.gz SAFHKUXBOPFTDI-SNVBAGLBSA-N -1 1 380.351 3.559 20 30 GHEDMM CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188953316 838002060 /nfs/dbraw/zinc/00/20/60/838002060.db2.gz BQZFQGAGTBCPDC-UHFFFAOYSA-N -1 1 380.231 3.553 20 30 GHEDMM N#CCCCN1C(=O)CCc2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc21 ZINC000589212616 838342820 /nfs/dbraw/zinc/34/28/20/838342820.db2.gz NCACDXDIRAUGTP-UHFFFAOYSA-N -1 1 385.370 3.506 20 30 GHEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000188135041 838546817 /nfs/dbraw/zinc/54/68/17/838546817.db2.gz AIOYESGVLIGIMP-UHFFFAOYSA-N -1 1 382.489 3.715 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1Cl ZINC000064938272 839569289 /nfs/dbraw/zinc/56/92/89/839569289.db2.gz SURSCITYBMAPLY-UHFFFAOYSA-N -1 1 376.865 3.939 20 30 GHEDMM CCn1c(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n[n-]c1=S ZINC000067077289 844526552 /nfs/dbraw/zinc/52/65/52/844526552.db2.gz FMISVNMXSIHACJ-UHFFFAOYSA-N -1 1 393.472 3.597 20 30 GHEDMM CCOc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000125251582 841369042 /nfs/dbraw/zinc/36/90/42/841369042.db2.gz VVCGTEUTCQUFAG-HNNXBMFYSA-N -1 1 392.440 3.565 20 30 GHEDMM C=CCn1c(-c2sc(NC(=O)c3ccc(COC)o3)nc2C)n[n-]c1=S ZINC000125278253 841376856 /nfs/dbraw/zinc/37/68/56/841376856.db2.gz YUGJPFBLCFCPDW-UHFFFAOYSA-N -1 1 391.478 3.550 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC[C@@H](CC#N)C3)cc2)cc1 ZINC000597923603 842358510 /nfs/dbraw/zinc/35/85/10/842358510.db2.gz USXXPBWDDMPYOR-KRWDZBQOSA-N -1 1 397.500 3.562 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1Cl ZINC000135355771 842805661 /nfs/dbraw/zinc/80/56/61/842805661.db2.gz FHHRMQGRPQLMMR-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)(C)CC#N)cc2)cc1C ZINC000458037035 843138569 /nfs/dbraw/zinc/13/85/69/843138569.db2.gz YFOFROYGXKKNJW-UHFFFAOYSA-N -1 1 399.516 3.774 20 30 GHEDMM CC[C@H](C#N)NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000094079883 843288753 /nfs/dbraw/zinc/28/87/53/843288753.db2.gz GBWMUBLFZKWZCH-LLVKDONJSA-N -1 1 392.242 3.983 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c2cccnc12 ZINC000603975295 843595966 /nfs/dbraw/zinc/59/59/66/843595966.db2.gz SPTVVAHOGXBUOR-UHFFFAOYSA-N -1 1 381.457 3.845 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(C(F)(F)F)c1 ZINC000431153702 843723282 /nfs/dbraw/zinc/72/32/82/843723282.db2.gz ZSHZXCOVFUKFTM-UHFFFAOYSA-N -1 1 380.269 3.795 20 30 GHEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000603987268 861509979 /nfs/dbraw/zinc/50/99/79/861509979.db2.gz JPXOPXDJWWSGDV-UHFFFAOYSA-N -1 1 383.404 3.994 20 30 GHEDMM CC(C)CCn1ccc(N=C([O-])Nc2ncc(Cc3ccc(C#N)cc3)s2)n1 ZINC000479958716 847982533 /nfs/dbraw/zinc/98/25/33/847982533.db2.gz DDOXLBYUNOKNAY-UHFFFAOYSA-N -1 1 394.504 3.914 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)ccc1C#N ZINC000435729507 850794256 /nfs/dbraw/zinc/79/42/56/850794256.db2.gz URJZBIPXKSFMNH-UHFFFAOYSA-N -1 1 385.489 3.961 20 30 GHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(CNC(=O)c3cccs3)cc2)n1 ZINC000048788669 851502154 /nfs/dbraw/zinc/50/21/54/851502154.db2.gz INWADEGSYRPHDK-OAHLLOKOSA-N -1 1 381.482 3.933 20 30 GHEDMM N#CCc1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000048818051 851522560 /nfs/dbraw/zinc/52/25/60/851522560.db2.gz JAPDLZNWOHKLHV-HNNXBMFYSA-N -1 1 388.452 3.832 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3cccc(F)c3)cc2)c(=O)o1 ZINC000028621277 851814777 /nfs/dbraw/zinc/81/47/77/851814777.db2.gz TXUIIXZDMNCDPQ-TYOLEZHBSA-N -1 1 380.371 3.633 20 30 GHEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436572570 852075387 /nfs/dbraw/zinc/07/53/87/852075387.db2.gz DUQWLNDEEMMRGM-QGZVFWFLSA-N -1 1 387.386 3.591 20 30 GHEDMM N#CCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436826058 852394800 /nfs/dbraw/zinc/39/48/00/852394800.db2.gz NIBKFIVOBNGJBY-UHFFFAOYSA-N -1 1 392.242 3.985 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)cc1F ZINC000489649632 852508882 /nfs/dbraw/zinc/50/88/82/852508882.db2.gz NQKXMYHUJQBOBV-AWEZNQCLSA-N -1 1 394.296 3.557 20 30 GHEDMM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000437000538 852617501 /nfs/dbraw/zinc/61/75/01/852617501.db2.gz UOQXTZPOUWSPEL-KRWDZBQOSA-N -1 1 390.270 3.722 20 30 GHEDMM C=CCn1cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000490092674 852767242 /nfs/dbraw/zinc/76/72/42/852767242.db2.gz RQYLXOWEKPQRRV-UHFFFAOYSA-N -1 1 381.457 3.727 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1Cl ZINC000438787955 852854034 /nfs/dbraw/zinc/85/40/34/852854034.db2.gz DQLAQAHLRHTQCS-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM N#CCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000913223900 853158748 /nfs/dbraw/zinc/15/87/48/853158748.db2.gz IBAHEBKOLAOMQU-UHFFFAOYSA-N -1 1 378.837 3.601 20 30 GHEDMM O=C([O-])c1ccccc1N=NCc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000732711970 862440819 /nfs/dbraw/zinc/44/08/19/862440819.db2.gz XTKABAULRRLLAM-UHFFFAOYSA-N -1 1 385.221 3.983 20 30 GHEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1Cl ZINC000481962619 862571186 /nfs/dbraw/zinc/57/11/86/862571186.db2.gz KIOZVYPRIFGZNW-UHFFFAOYSA-N -1 1 384.244 3.624 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1 ZINC000589168700 854711872 /nfs/dbraw/zinc/71/18/72/854711872.db2.gz JDAOILNOJLJLPM-UHFFFAOYSA-N -1 1 396.244 3.706 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)c1 ZINC000589175765 854715945 /nfs/dbraw/zinc/71/59/45/854715945.db2.gz UIWNNQAZAJLNHQ-UHFFFAOYSA-N -1 1 397.434 3.648 20 30 GHEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000589197059 854743305 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GHEDMM Cc1nnc(Oc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C#N)c1C ZINC000301455410 855696540 /nfs/dbraw/zinc/69/65/40/855696540.db2.gz YRVPSARCDQYQLD-UHFFFAOYSA-N -1 1 380.429 3.558 20 30 GHEDMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[nH]c2c1 ZINC000427648678 856458103 /nfs/dbraw/zinc/45/81/03/856458103.db2.gz QVAJADGJPRBWFL-UHFFFAOYSA-N -1 1 380.351 3.563 20 30 GHEDMM C=CCCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1cccc(Br)c1 ZINC000427778995 856727273 /nfs/dbraw/zinc/72/72/73/856727273.db2.gz KNNPDCLDSWTIQV-UHFFFAOYSA-N -1 1 384.299 3.856 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@]3(C#N)CC3(C)C)c2)c1 ZINC000427880367 856841050 /nfs/dbraw/zinc/84/10/50/856841050.db2.gz FHCGEZQHXZGDTF-OAQYLSRUSA-N -1 1 397.500 3.526 20 30 GHEDMM COC(=O)[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593214906 857404474 /nfs/dbraw/zinc/40/44/74/857404474.db2.gz UKTRVYBTRQSNQK-AWEZNQCLSA-N -1 1 386.473 3.565 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCC2(C#N)CCCC2)cc1 ZINC000593784870 857725030 /nfs/dbraw/zinc/72/50/30/857725030.db2.gz FATVXUARGLPNRN-UHFFFAOYSA-N -1 1 397.500 3.610 20 30 GHEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(Cl)s1 ZINC000443122752 858390060 /nfs/dbraw/zinc/39/00/60/858390060.db2.gz HXWXWTGZNGBXHJ-SNVBAGLBSA-N -1 1 385.854 3.611 20 30 GHEDMM CCOc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000443363192 858609305 /nfs/dbraw/zinc/60/93/05/858609305.db2.gz ARAJENWOOZUGIB-UHFFFAOYSA-N -1 1 381.251 3.520 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)ccc1C(F)(F)F ZINC000443404498 858645431 /nfs/dbraw/zinc/64/54/31/858645431.db2.gz SRUGRDPASQXSAE-UHFFFAOYSA-N -1 1 388.342 3.726 20 30 GHEDMM CC[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000183820085 858824776 /nfs/dbraw/zinc/82/47/76/858824776.db2.gz LVTVVSJJSBHRBC-KRWDZBQOSA-N -1 1 385.489 3.526 20 30 GHEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)c1 ZINC000509391719 859283442 /nfs/dbraw/zinc/28/34/42/859283442.db2.gz LDZIAXXKGVQEKB-UHFFFAOYSA-N -1 1 388.392 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864103325 /nfs/dbraw/zinc/10/33/25/864103325.db2.gz WROIXHNYAAZHHO-UHFFFAOYSA-N -1 1 398.362 3.555 20 30 GHEDMM N#CCOc1ccc(Cl)cc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000735303307 864718347 /nfs/dbraw/zinc/71/83/47/864718347.db2.gz PBXZQFVPYHBIBY-UHFFFAOYSA-N -1 1 391.880 3.912 20 30 GHEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)c2C)o1 ZINC000186467134 865935181 /nfs/dbraw/zinc/93/51/81/865935181.db2.gz JQLXXWFOUOWIDY-UHFFFAOYSA-N -1 1 376.825 3.612 20 30 GHEDMM O=C([O-])COc1ccc(C=NNc2c(F)cc(F)cc2Br)cc1 ZINC000741768084 866772537 /nfs/dbraw/zinc/77/25/37/866772537.db2.gz TZTAIUMDLXOVAL-UHFFFAOYSA-N -1 1 385.164 3.637 20 30 GHEDMM C=CCc1cc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc(OC)c1OC ZINC000744531651 868912975 /nfs/dbraw/zinc/91/29/75/868912975.db2.gz RNANZRZSNVEGAR-UHFFFAOYSA-N -1 1 384.428 3.740 20 30 GHEDMM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000446646396 870139204 /nfs/dbraw/zinc/13/92/04/870139204.db2.gz HBICSYDKRULQNF-UHFFFAOYSA-N -1 1 382.438 3.555 20 30 GHEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC001193680707 871231444 /nfs/dbraw/zinc/23/14/44/871231444.db2.gz BDYKHECTOXIEAD-UHFFFAOYSA-N -1 1 375.208 3.814 20 30 GHEDMM CC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000182846905 872836247 /nfs/dbraw/zinc/83/62/47/872836247.db2.gz IARSLQCFANBYEH-HNNXBMFYSA-N -1 1 391.452 3.556 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cnn4ccc(Cl)nc34)c2)c1 ZINC001196309505 873003672 /nfs/dbraw/zinc/00/36/72/873003672.db2.gz XZORWMZKEGKOFU-UHFFFAOYSA-N -1 1 389.802 3.879 20 30 GHEDMM COc1ccc(Br)c(F)c1C(=O)[N-]c1c(F)c(F)ccc1C#N ZINC001197032853 873556740 /nfs/dbraw/zinc/55/67/40/873556740.db2.gz PQRVZMMDGHAYPE-UHFFFAOYSA-N -1 1 385.139 3.999 20 30 GHEDMM CCC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 ZINC001197318728 873705852 /nfs/dbraw/zinc/70/58/52/873705852.db2.gz GFPFDDFZDRUBTM-UHFFFAOYSA-N -1 1 393.262 3.714 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)ccc1Br ZINC001197320410 873706822 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Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccccc3CC#N)[nH]n2)cc1C ZINC000475823199 884286491 /nfs/dbraw/zinc/28/64/91/884286491.db2.gz ZFAMTGTZKMBHAL-UHFFFAOYSA-N -1 1 380.473 3.869 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)c1 ZINC000475834273 884837261 /nfs/dbraw/zinc/83/72/61/884837261.db2.gz RXMFBYXYVDGQHV-UHFFFAOYSA-N -1 1 392.305 3.979 20 30 GHEDMM C#CCCc1noc(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000762011488 885200577 /nfs/dbraw/zinc/20/05/77/885200577.db2.gz LPWGMZMTJFJSRU-UHFFFAOYSA-N -1 1 385.420 3.551 20 30 GHEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2c[nH]c3cccc(F)c23)C1=O ZINC000762164090 885526802 /nfs/dbraw/zinc/52/68/02/885526802.db2.gz CCEDHQQFKFHJFJ-HXUWFJFHSA-N -1 1 388.443 3.623 20 30 GHEDMM C=CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000116987741 886006178 /nfs/dbraw/zinc/00/61/78/886006178.db2.gz PRPROZXIERLLLT-CQSZACIVSA-N -1 1 376.453 3.629 20 30 GHEDMM C[C@@H](C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1ccc(O)cc1 ZINC001184277841 913127448 /nfs/dbraw/zinc/12/74/48/913127448.db2.gz ICWCCFDWXZOOOT-KIHMUJGBSA-N -1 1 394.456 3.669 20 30 GHEDMM CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2C1 ZINC000809677227 887696812 /nfs/dbraw/zinc/69/68/12/887696812.db2.gz IILIUCJIGVNYSP-UHFFFAOYSA-N -1 1 393.443 3.809 20 30 GHEDMM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000916242399 888865458 /nfs/dbraw/zinc/86/54/58/888865458.db2.gz LLHZWBMZRFLJRQ-UHFFFAOYSA-N -1 1 391.262 3.797 20 30 GHEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000123921459 889446465 /nfs/dbraw/zinc/44/64/65/889446465.db2.gz RBGPNUHNFWGJEB-UHFFFAOYSA-N -1 1 391.221 3.891 20 30 GHEDMM Cc1cnc(F)c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000870123100 890222490 /nfs/dbraw/zinc/22/24/90/890222490.db2.gz MOTLWCXXCLTCTD-GFCCVEGCSA-N -1 1 382.420 3.608 20 30 GHEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)N[C@@H](C)C#N)c1 ZINC000125908265 890247629 /nfs/dbraw/zinc/24/76/29/890247629.db2.gz 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COc1cc(CN(C(=O)c2cc([O-])cc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000589165765 854710401 /nfs/dbraw/zinc/71/04/01/854710401.db2.gz CCWZTOFFWPWOOX-UHFFFAOYSA-N -1 1 388.370 3.679 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 ZINC000589167747 854712079 /nfs/dbraw/zinc/71/20/79/854712079.db2.gz XNRYZDFOLYRWJO-UHFFFAOYSA-N -1 1 376.441 3.535 20 30 GHEDMM CC(=O)Nc1sc(NC(=O)c2cc([O-])cc(C#N)c2)nc1-c1ccccc1 ZINC000589209694 854750748 /nfs/dbraw/zinc/75/07/48/854750748.db2.gz YDRMYAQRTQSADZ-UHFFFAOYSA-N -1 1 378.413 3.598 20 30 GHEDMM CC[C@H](NC(=O)c1ccc(I)c([O-])c1)C1CCOCC1 ZINC000330872564 854762426 /nfs/dbraw/zinc/76/24/26/854762426.db2.gz RWVHFZPZPGTSLB-ZDUSSCGKSA-N -1 1 389.233 3.507 20 30 GHEDMM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000331242355 854831320 /nfs/dbraw/zinc/83/13/20/854831320.db2.gz PGTHSTDHXKIVFF-UHFFFAOYSA-N -1 1 385.468 3.840 20 30 GHEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1nc2ccccc2n1C(F)F ZINC000572894521 855036397 /nfs/dbraw/zinc/03/63/97/855036397.db2.gz ONTXLKUQHBMKRT-NSHDSACASA-N -1 1 378.342 3.707 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(O[C@H](C)CC)c2)c1 ZINC000057126206 855237919 /nfs/dbraw/zinc/23/79/19/855237919.db2.gz CSMPNVAODAPVPR-OAHLLOKOSA-N -1 1 388.489 3.581 20 30 GHEDMM C=CCOCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000591104765 855777708 /nfs/dbraw/zinc/77/77/08/855777708.db2.gz KJKOBQDYJFPYGE-UHFFFAOYSA-N -1 1 394.880 3.590 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1CN(c1nccs1)C2 ZINC000542864562 856206448 /nfs/dbraw/zinc/20/64/48/856206448.db2.gz BDESQXAELNLSDP-UHFFFAOYSA-N -1 1 396.497 3.644 20 30 GHEDMM N#CCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436820818 856463387 /nfs/dbraw/zinc/46/33/87/856463387.db2.gz SMCJFNGWQJYXDS-UHFFFAOYSA-N -1 1 378.215 3.595 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000172591226 856490516 /nfs/dbraw/zinc/49/05/16/856490516.db2.gz GMIQJDIGVZTAQO-UHFFFAOYSA-N -1 1 397.481 3.981 20 30 GHEDMM COC(=O)c1nc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)cs1 ZINC000905824997 856636676 /nfs/dbraw/zinc/63/66/76/856636676.db2.gz RAMCPSBKLHHSOT-RKDXNWHRSA-N -1 1 375.475 3.801 20 30 GHEDMM Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427766088 856710354 /nfs/dbraw/zinc/71/03/54/856710354.db2.gz WGEGKRISLLBQFP-HNNXBMFYSA-N -1 1 384.505 3.750 20 30 GHEDMM Cc1ccc(C#N)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000064070331 857103409 /nfs/dbraw/zinc/10/34/09/857103409.db2.gz CLRXMLXMSAFCLZ-UHFFFAOYSA-N -1 1 391.452 3.920 20 30 GHEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)ccc1C ZINC000174742912 857375196 /nfs/dbraw/zinc/37/51/96/857375196.db2.gz OYTMUFJJFHMDKS-UHFFFAOYSA-N -1 1 397.378 3.645 20 30 GHEDMM COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000593215391 857404452 /nfs/dbraw/zinc/40/44/52/857404452.db2.gz DTCDJCQMSSCANV-UHFFFAOYSA-N -1 1 390.436 3.523 20 30 GHEDMM CC[C@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)N(CC)CC ZINC000765967547 857478979 /nfs/dbraw/zinc/47/89/79/857478979.db2.gz RVGBJZPBPOLTAK-UONOGXRCSA-N -1 1 386.521 3.572 20 30 GHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OC)c2C)c1 ZINC000521275655 857822908 /nfs/dbraw/zinc/82/29/08/857822908.db2.gz HMYGCEGHKUDDNE-UHFFFAOYSA-N -1 1 375.446 3.537 20 30 GHEDMM N#Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)s1 ZINC000486749028 858044058 /nfs/dbraw/zinc/04/40/58/858044058.db2.gz VOLRSSVDNBKUOA-UHFFFAOYSA-N -1 1 383.454 3.673 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000114673319 858158453 /nfs/dbraw/zinc/15/84/53/858158453.db2.gz LYJZWPRJAIEKOH-UHFFFAOYSA-N -1 1 397.481 3.981 20 30 GHEDMM N#CC1(c2ccc(CN[C@H](C(=O)[O-])c3ccccc3Br)cc2)CC1 ZINC000594691087 858254663 /nfs/dbraw/zinc/25/46/63/858254663.db2.gz QHUOAFXLNHBGBK-KRWDZBQOSA-N -1 1 385.261 3.920 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1Cl ZINC000059772553 858656929 /nfs/dbraw/zinc/65/69/29/858656929.db2.gz XFBZZAWTYYVBHO-UHFFFAOYSA-N -1 1 390.770 3.954 20 30 GHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O ZINC000443420846 858659018 /nfs/dbraw/zinc/65/90/18/858659018.db2.gz WDEWTZXUAYVHKX-HNNXBMFYSA-N -1 1 384.501 3.904 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)cc1Cl ZINC000439253752 858842224 /nfs/dbraw/zinc/84/22/24/858842224.db2.gz BGTPNEACRYRHDD-UHFFFAOYSA-N -1 1 376.850 3.531 20 30 GHEDMM CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cccc(C)c3C#N)n2)cc1 ZINC000443499403 858843277 /nfs/dbraw/zinc/84/32/77/858843277.db2.gz KJQYWOCJZPOVMZ-CQSZACIVSA-N -1 1 396.472 3.519 20 30 GHEDMM C=CCC[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)OCC ZINC001211881392 859352871 /nfs/dbraw/zinc/35/28/71/859352871.db2.gz QFUOJRBWYQWIJX-LBPRGKRZSA-N -1 1 387.910 3.731 20 30 GHEDMM N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1nc(-c2ccncc2)cs1 ZINC000114620856 859778835 /nfs/dbraw/zinc/77/88/35/859778835.db2.gz YDUUENJPRDVFKZ-KRWDZBQOSA-N -1 1 388.452 3.822 20 30 GHEDMM CCOc1ccc(C#N)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765258028 859874124 /nfs/dbraw/zinc/87/41/24/859874124.db2.gz FWJSPWAJMYELNU-UHFFFAOYSA-N -1 1 390.237 3.747 20 30 GHEDMM COc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C/c1ccccc1Br ZINC000727359987 860052868 /nfs/dbraw/zinc/05/28/68/860052868.db2.gz WWWLISLFPYCJTD-CMDGGOBGSA-N -1 1 393.262 3.742 20 30 GHEDMM N#Cc1cccc(C2(NC(=O)c3ccc(C(F)(F)F)c([O-])c3)CCOCC2)c1 ZINC000598245186 860185544 /nfs/dbraw/zinc/18/55/44/860185544.db2.gz BIHUGBGSALJNDR-UHFFFAOYSA-N -1 1 390.361 3.718 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1NC(=O)c1ccco1 ZINC000125140770 860591427 /nfs/dbraw/zinc/59/14/27/860591427.db2.gz SZWRFYQDWQMBQC-UHFFFAOYSA-N -1 1 381.413 3.513 20 30 GHEDMM C[C@H](OC1CCCCCC1)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000329113800 861032639 /nfs/dbraw/zinc/03/26/39/861032639.db2.gz LLSLMBIWPOUCGX-ZDUSSCGKSA-N -1 1 396.509 3.549 20 30 GHEDMM N#CCc1cccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)c1 ZINC000444354533 865077249 /nfs/dbraw/zinc/07/72/49/865077249.db2.gz VGNNRDOHOMCSOU-UHFFFAOYSA-N -1 1 377.444 3.773 20 30 GHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(Nc3ccccn3)n2)cc1 ZINC000737316084 865390876 /nfs/dbraw/zinc/39/08/76/865390876.db2.gz DQHXZQYNRGMKBX-HNNXBMFYSA-N -1 1 391.456 3.805 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)OCC(C)C)c1 ZINC000740811356 866029651 /nfs/dbraw/zinc/02/96/51/866029651.db2.gz CSOLWFAYUPZCEF-UHFFFAOYSA-N -1 1 387.461 3.872 20 30 GHEDMM C=CC[C@@H]1N(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCCC1(C)C ZINC000444888572 867408064 /nfs/dbraw/zinc/40/80/64/867408064.db2.gz KKHNAOSAIQNBIO-KRWDZBQOSA-N -1 1 395.525 3.665 20 30 GHEDMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)NO)cc2)c1C ZINC000742823976 867580095 /nfs/dbraw/zinc/58/00/95/867580095.db2.gz JOOQDVXVRXLANB-UHFFFAOYSA-N -1 1 376.478 3.521 20 30 GHEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 ZINC000539945719 870052315 /nfs/dbraw/zinc/05/23/15/870052315.db2.gz IWUYYAFPPSXVAL-SNVBAGLBSA-N -1 1 380.800 3.963 20 30 GHEDMM C#CCOc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cc1 ZINC000920987689 882502372 /nfs/dbraw/zinc/50/23/72/882502372.db2.gz QKAZKBBHLOGVSX-UHFFFAOYSA-N -1 1 380.498 3.753 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000069673965 871366110 /nfs/dbraw/zinc/36/61/10/871366110.db2.gz IIERSYYEGQXWJR-UHFFFAOYSA-N -1 1 388.452 3.757 20 30 GHEDMM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nc2ccccc2[nH]1 ZINC000041495097 871726531 /nfs/dbraw/zinc/72/65/31/871726531.db2.gz YFJKJDDZHYLLHU-INIZCTEOSA-N -1 1 385.402 3.866 20 30 GHEDMM C=CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(F)c1 ZINC001195309636 872329350 /nfs/dbraw/zinc/32/93/50/872329350.db2.gz MFQKAUFRERRVLF-UHFFFAOYSA-N -1 1 383.828 3.931 20 30 GHEDMM CC(C)C[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195451907 872396932 /nfs/dbraw/zinc/39/69/32/872396932.db2.gz LKIGCCIZJWFCDE-ZDUSSCGKSA-N -1 1 397.697 3.848 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000619463694 872660498 /nfs/dbraw/zinc/66/04/98/872660498.db2.gz OSWFTKFKUFFJCK-UHFFFAOYSA-N -1 1 390.424 3.757 20 30 GHEDMM Cn1nc(CNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c2ccccc21 ZINC001196330293 873035907 /nfs/dbraw/zinc/03/59/07/873035907.db2.gz NXVTZSONRSNEEY-UHFFFAOYSA-N -1 1 382.423 3.748 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)cc1 ZINC001196488203 873132471 /nfs/dbraw/zinc/13/24/71/873132471.db2.gz NTVUIZYWQBUKPU-UHFFFAOYSA-N -1 1 391.424 3.845 20 30 GHEDMM CCOC(=O)c1cc(C#N)c(NC(=S)Nc2ccc(C(C)=O)cc2)c(C)c1[O-] ZINC001196555760 873210048 /nfs/dbraw/zinc/21/00/48/873210048.db2.gz DZOZHJWCHNMQOY-UHFFFAOYSA-N -1 1 397.456 3.761 20 30 GHEDMM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(Br)c1F ZINC001196680476 873281912 /nfs/dbraw/zinc/28/19/12/873281912.db2.gz MTGIRQBEYGKCDT-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM C=CCOc1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)o2)cc1 ZINC000768460398 873327202 /nfs/dbraw/zinc/32/72/02/873327202.db2.gz BHUDJQFEECEZTN-UHFFFAOYSA-N -1 1 384.413 3.688 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)[C@]3(C#N)C[C@H]3C)ccc2C)c1 ZINC000448570948 873620244 /nfs/dbraw/zinc/62/02/44/873620244.db2.gz FJEQLNLEQIHADC-QRWLVFNGSA-N -1 1 383.473 3.593 20 30 GHEDMM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3noc(Cl)c3C)c(C#N)c21 ZINC001199671217 875113842 /nfs/dbraw/zinc/11/38/42/875113842.db2.gz ZFHMUBLKDGIJGJ-VIFPVBQESA-N -1 1 393.852 3.805 20 30 GHEDMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000528911481 875252850 /nfs/dbraw/zinc/25/28/50/875252850.db2.gz AAJAXPYRTKCPPY-BPJKLTAVSA-N -1 1 385.489 3.511 20 30 GHEDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)C2(CCCCC2)C1 ZINC000785598171 876122401 /nfs/dbraw/zinc/12/24/01/876122401.db2.gz RCAPMNQRHALAHF-UHFFFAOYSA-N -1 1 399.491 3.660 20 30 GHEDMM C=CCOCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000173484193 876415305 /nfs/dbraw/zinc/41/53/05/876415305.db2.gz XBPSWQRQLWFPEX-UHFFFAOYSA-N -1 1 388.489 3.717 20 30 GHEDMM CCc1cccc(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000152076662 876719924 /nfs/dbraw/zinc/71/99/24/876719924.db2.gz KMGQPVNCCPNNEJ-MRXNPFEDSA-N -1 1 391.496 3.845 20 30 GHEDMM C[C@H](Sc1ccc(NS(=O)(=O)c2cccc(Cl)c2C#N)cc1)C(=O)[O-] ZINC000551995716 878126530 /nfs/dbraw/zinc/12/65/30/878126530.db2.gz DRNORZSBZZZSTJ-JTQLQIEISA-N -1 1 396.877 3.578 20 30 GHEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000176695882 878358870 /nfs/dbraw/zinc/35/88/70/878358870.db2.gz FPOUSRHXTRPJTI-UHFFFAOYSA-N -1 1 388.464 3.749 20 30 GHEDMM CC(C)n1c(C2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068446904 878530388 /nfs/dbraw/zinc/53/03/88/878530388.db2.gz JNDRPGRSCPVTRW-AWEZNQCLSA-N -1 1 399.520 3.567 20 30 GHEDMM C=C(C)Cn1c(COCC)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000460769836 878531806 /nfs/dbraw/zinc/53/18/06/878531806.db2.gz PFJNALZFKVCYLZ-KBXCAEBGSA-N -1 1 378.904 3.654 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)OCC(C)(C)C#N ZINC000180150176 878564355 /nfs/dbraw/zinc/56/43/55/878564355.db2.gz UYAHTABTDXYRQX-UHFFFAOYSA-N -1 1 390.436 3.642 20 30 GHEDMM C=C(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000452721197 879954767 /nfs/dbraw/zinc/95/47/67/879954767.db2.gz GTKGGIFHESPTCI-UHFFFAOYSA-N -1 1 388.489 3.582 20 30 GHEDMM N=C(c1ccccc1N)N([O-])C(=O)[C@H](c1c[nH]c2cc(F)ccc21)C(F)(F)F ZINC001183501388 912597622 /nfs/dbraw/zinc/59/76/22/912597622.db2.gz OXWYBCVDBLPZTA-HNNXBMFYSA-N -1 1 394.328 3.778 20 30 GHEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1C(C)C ZINC000453588705 881104671 /nfs/dbraw/zinc/10/46/71/881104671.db2.gz MASRDLJERNDFDW-CYBMUJFWSA-N -1 1 395.488 3.852 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000475798115 883944715 /nfs/dbraw/zinc/94/47/15/883944715.db2.gz OVBZEQXWTBQYMT-UHFFFAOYSA-N -1 1 397.481 3.867 20 30 GHEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1 ZINC000116814870 884231640 /nfs/dbraw/zinc/23/16/40/884231640.db2.gz QUWMYADQLCWPLO-IERDGZPVSA-N -1 1 397.500 3.690 20 30 GHEDMM CCCCCCOc1ccc(C=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914599230 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QLGBPUXRZJVFDP-SFHVURJKSA-N -1 1 384.501 3.895 20 30 GHEDMM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cccnc1-c1ncccc1[O-] ZINC001231199205 1034458795 /nfs/dbraw/zinc/45/87/95/1034458795.db2.gz CSIFEOYKWUFKPS-KRWDZBQOSA-N -1 1 383.448 3.794 20 30 GHEDMM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1ccc([O-])c(C(F)(F)F)c1 ZINC001242153405 1035835387 /nfs/dbraw/zinc/83/53/87/1035835387.db2.gz XBIANRZLULFQIU-LLVKDONJSA-N -1 1 387.317 3.801 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncnc4[nH]cc(C#N)c43)c2)cc1 ZINC001242908015 1035990337 /nfs/dbraw/zinc/99/03/37/1035990337.db2.gz QKRSMASSFCERBJ-UHFFFAOYSA-N -1 1 389.440 3.606 20 30 GHEDMM N#Cc1cccc(-c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn2)c1F ZINC001245069035 1036752066 /nfs/dbraw/zinc/75/20/66/1036752066.db2.gz NHMBJQWHUOPRDE-UHFFFAOYSA-N -1 1 389.358 3.838 20 30 GHEDMM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1F ZINC001233799405 1039625749 /nfs/dbraw/zinc/62/57/49/1039625749.db2.gz JGWXQYMIIXGZHK-VCEKOBTFSA-N -1 1 382.432 3.620 20 30 GHEDMM CCOC(=O)C(F)(F)[C@H](Oc1ccc(/C=N/[O-])cc1OC)c1ccccc1 ZINC001233806417 1039630728 /nfs/dbraw/zinc/63/07/28/1039630728.db2.gz CCMMTAKCSDFAKC-ORWNMUSCSA-N -1 1 379.359 3.822 20 30 GHEDMM C#CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(Cl)c([O-])c3Cl)CC2)C1=O ZINC001277829687 1039786933 /nfs/dbraw/zinc/78/69/33/1039786933.db2.gz HRSLOGCPWHIMMF-IBGZPJMESA-N -1 1 381.303 3.537 20 30 GHEDMM C#CCN1CC[C@@]2(CCCN(Cc3ccc(Cl)c([O-])c3Cl)CC2)C1=O ZINC001277829687 1039786954 /nfs/dbraw/zinc/78/69/54/1039786954.db2.gz HRSLOGCPWHIMMF-IBGZPJMESA-N -1 1 381.303 3.537 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(Br)cncc3c2)cc1 ZINC001258131596 1044415996 /nfs/dbraw/zinc/41/59/96/1044415996.db2.gz BFLSWJMDARVKMI-UHFFFAOYSA-N -1 1 388.246 3.670 20 30 GHEDMM CCCCCCCCC[C@@H](C)[N@@H+](CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-] ZINC001258228030 1044477460 /nfs/dbraw/zinc/47/74/60/1044477460.db2.gz CNZIVXJCEPNZLV-HZPDHXFCSA-N -1 1 384.523 3.532 20 30 GHEDMM CCCCCCCCC[C@@H](C)[N@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258228030 1044477479 /nfs/dbraw/zinc/47/74/79/1044477479.db2.gz CNZIVXJCEPNZLV-HZPDHXFCSA-N -1 1 384.523 3.532 20 30 GHEDMM CCCCCCCCC[C@@H](C)[N@@H+](CCC[NH3+])C[C@@H]([S-])OP(=O)([O-])[O-] ZINC001258228030 1044477486 /nfs/dbraw/zinc/47/74/86/1044477486.db2.gz CNZIVXJCEPNZLV-HZPDHXFCSA-N -1 1 384.523 3.532 20 30 GHEDMM CCCCCCCCC[C@H](C)[N@@H+](CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-] ZINC001258228029 1044477535 /nfs/dbraw/zinc/47/75/35/1044477535.db2.gz CNZIVXJCEPNZLV-HOTGVXAUSA-N -1 1 384.523 3.532 20 30 GHEDMM CCCCCCCCC[C@H](C)[N@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258228029 1044477541 /nfs/dbraw/zinc/47/75/41/1044477541.db2.gz CNZIVXJCEPNZLV-HOTGVXAUSA-N -1 1 384.523 3.532 20 30 GHEDMM CCCCCCCCC[C@H](C)[N@@H+](CCC[NH3+])C[C@H]([S-])OP(=O)([O-])[O-] ZINC001258228029 1044477555 /nfs/dbraw/zinc/47/75/55/1044477555.db2.gz CNZIVXJCEPNZLV-HOTGVXAUSA-N -1 1 384.523 3.532 20 30 GHEDMM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1F)c1ccc(F)c(F)c1F ZINC001259079746 1044951083 /nfs/dbraw/zinc/95/10/83/1044951083.db2.gz RJWVEQWHRGSFGA-UHFFFAOYSA-N -1 1 389.248 3.942 20 30 GHEDMM CC(C)Oc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1C#N ZINC001295233688 1044960179 /nfs/dbraw/zinc/96/01/79/1044960179.db2.gz BNILSLZFAKZORA-UHFFFAOYSA-N -1 1 383.354 3.717 20 30 GHEDMM Cc1c(F)c(Br)ccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259418632 1045138401 /nfs/dbraw/zinc/13/84/01/1045138401.db2.gz IUZPESNAIIIUMK-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM C=C[C@H](CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC001296141450 1045261543 /nfs/dbraw/zinc/26/15/43/1045261543.db2.gz JNGYWCYHTULPPX-KZULUSFZSA-N -1 1 385.830 3.558 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C#N)sc3c2)c2ccncc12 ZINC001260094177 1045380976 /nfs/dbraw/zinc/38/09/76/1045380976.db2.gz FRRQNWRTUKWZTA-UHFFFAOYSA-N -1 1 380.454 3.825 20 30 GHEDMM N#Cc1coc(C[N-]S(=O)(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)c1 ZINC001260340948 1045467845 /nfs/dbraw/zinc/46/78/45/1045467845.db2.gz QPPKMQNZYIQZLN-UHFFFAOYSA-N -1 1 399.177 3.955 20 30 GHEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Br)c(Cl)s2)CCCC1 ZINC001260491955 1045514554 /nfs/dbraw/zinc/51/45/54/1045514554.db2.gz FCHXZVZZNGOEPW-UHFFFAOYSA-N -1 1 383.720 3.526 20 30 GHEDMM CC(C)C[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)s1 ZINC001260494965 1045515370 /nfs/dbraw/zinc/51/53/70/1045515370.db2.gz BPHHBSJTYQXSMX-NSHDSACASA-N -1 1 385.736 3.771 20 30 GHEDMM O=S(=O)([N-]CCCCCCS)c1cc(Br)c(Cl)s1 ZINC001260495108 1045516652 /nfs/dbraw/zinc/51/66/52/1045516652.db2.gz LBSKIGNVCPFONR-UHFFFAOYSA-N -1 1 392.793 3.933 20 30 GHEDMM CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccc(C#N)cc2)c1 ZINC001260811882 1045679660 /nfs/dbraw/zinc/67/96/60/1045679660.db2.gz MHLACLFIXDUBEB-UHFFFAOYSA-N -1 1 391.452 3.984 20 30 GHEDMM C#C[C@@](C)(CC)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC001298087058 1045701672 /nfs/dbraw/zinc/70/16/72/1045701672.db2.gz VZZPCIRZASROFF-NRFANRHFSA-N -1 1 384.501 3.636 20 30 GHEDMM N#Cc1ccccc1OCc1ccc(C(=O)NCCc2c(F)cc([O-])cc2F)o1 ZINC001304014687 1047561555 /nfs/dbraw/zinc/56/15/55/1047561555.db2.gz XNCUVUVCMGUFNA-UHFFFAOYSA-N -1 1 398.365 3.687 20 30 GHEDMM N#Cc1c[n-]n2c1nc(CN1CCC(F)(Cc3ccc(Cl)cc3)CC1)cc2=O ZINC001307783743 1049588170 /nfs/dbraw/zinc/58/81/70/1049588170.db2.gz JHFBYRACEWAONM-UHFFFAOYSA-N -1 1 399.857 3.507 20 30 GHEDMM CC(C)(C)c1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1Cl ZINC001327556146 1050215357 /nfs/dbraw/zinc/21/53/57/1050215357.db2.gz LWVHXYPRIDOANS-UHFFFAOYSA-N -1 1 376.865 3.516 20 30 GHEDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c(C#N)sc3ccccc32)C2CC2)s1 ZINC001309242850 1050510201 /nfs/dbraw/zinc/51/02/01/1050510201.db2.gz HGBZRQCQOTVFFJ-HNNXBMFYSA-N -1 1 389.527 3.968 20 30 GHEDMM C=C(C[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)c1ccccc1 ZINC001309557416 1050810451 /nfs/dbraw/zinc/81/04/51/1050810451.db2.gz DKTJCRDKWRZWSU-UHFFFAOYSA-N -1 1 397.855 3.648 20 30 GHEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)[C@H](C)c1ccco1 ZINC001342951896 1053455596 /nfs/dbraw/zinc/45/55/96/1053455596.db2.gz RGEQSFDPCXMDDV-CYBMUJFWSA-N -1 1 380.452 3.685 20 30 GHEDMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001322285744 1056609621 /nfs/dbraw/zinc/60/96/21/1056609621.db2.gz HMRTXSPLOURGNG-UHFFFAOYSA-N -1 1 397.500 3.534 20 30 GHEDMM C#C[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)C1 ZINC000848290818 1056976031 /nfs/dbraw/zinc/97/60/31/1056976031.db2.gz HBDJYXUENYVBLV-GOSISDBHSA-N -1 1 396.512 3.590 20 30 GHEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(CC)Cc1cccs1 ZINC001355900074 1057308994 /nfs/dbraw/zinc/30/89/94/1057308994.db2.gz IBSYNARQRVZOPK-UHFFFAOYSA-N -1 1 382.493 3.592 20 30 GHEDMM Cn1ccnc1[C@@H]([N-]C(=O)c1cc(F)c(C(F)(F)F)cc1F)C(F)(F)F ZINC001337814956 1058276780 /nfs/dbraw/zinc/27/67/80/1058276780.db2.gz HPUSNCAQAMERNZ-SNVBAGLBSA-N -1 1 387.230 3.751 20 30 GHEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC[C@@]2(CC2(F)F)C1 ZINC001338981926 1058913406 /nfs/dbraw/zinc/91/34/06/1058913406.db2.gz RFVCKDLRQDGVHW-MRXNPFEDSA-N -1 1 381.814 3.511 20 30 GHEDMM N#Cc1ccc(C(=O)N[C@@H](c2c[nH]c3cccc(F)c32)C(F)(F)F)cc1[O-] ZINC001452154635 1060907481 /nfs/dbraw/zinc/90/74/81/1060907481.db2.gz SONFFZPIESADES-INIZCTEOSA-N -1 1 377.297 3.918 20 30 GHEDMM C#C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001456959146 1062930260 /nfs/dbraw/zinc/93/02/60/1062930260.db2.gz SJIQBISIMBBZNB-FQEVSTJZSA-N -1 1 396.512 3.732 20 30 GHEDMM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ccc(C#N)cc1OC ZINC001436246035 1063324604 /nfs/dbraw/zinc/32/46/04/1063324604.db2.gz HPXJAKXHYUROBF-UHFFFAOYSA-N -1 1 391.383 3.651 20 30 GHEDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC001463612265 1064500095 /nfs/dbraw/zinc/50/00/95/1064500095.db2.gz AZFZPTSJKXQLPN-QPUJVOFHSA-N -1 1 399.232 3.576 20 30 GHEDMM C=CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CCCCC1 ZINC001466628982 1066222761 /nfs/dbraw/zinc/22/27/61/1066222761.db2.gz MTZLQJDXRPTQPG-UHFFFAOYSA-N -1 1 392.521 3.642 20 30 GHEDMM C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC001469384096 1068135996 /nfs/dbraw/zinc/13/59/96/1068135996.db2.gz OSBJPGSFTJWRFM-OAQYLSRUSA-N -1 1 390.464 3.592 20 30 GHEDMM C=C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 ZINC001475364088 1074850213 /nfs/dbraw/zinc/85/02/13/1074850213.db2.gz LGNRDJLQSSGDSC-UHFFFAOYSA-N -1 1 387.244 3.893 20 30 GHEDMM CCCCCCCn1cc(-c2nn[n-]n2)c(=O)c2cc(Br)ccc21 ZINC000736449462 598722698 /nfs/dbraw/zinc/72/26/98/598722698.db2.gz WIBXBJRHOGKICR-UHFFFAOYSA-N -1 1 390.285 3.915 20 30 GHEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000736303166 598820302 /nfs/dbraw/zinc/82/03/02/598820302.db2.gz IGLMGWWXGZIMBR-UHFFFAOYSA-N -1 1 379.877 3.994 20 30 GHEDMM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736202636 599838433 /nfs/dbraw/zinc/83/84/33/599838433.db2.gz PEYIYDZSVNCSJF-LLVKDONJSA-N -1 1 394.449 3.576 20 30 GHEDMM CCOc1cc(C=NNc2ccc(F)cn2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000737192006 599968685 /nfs/dbraw/zinc/96/86/85/599968685.db2.gz NHHOIUKRKXHXFM-UHFFFAOYSA-N -1 1 399.378 3.936 20 30 GHEDMM CN(Cc1cc(Br)ccc1F)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737454330 600565976 /nfs/dbraw/zinc/56/59/76/600565976.db2.gz LIECHLNSVCYWOF-MRXNPFEDSA-N -1 1 377.213 3.718 20 30 GHEDMM COc1cccc(Oc2ncccc2CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738109919 600799096 /nfs/dbraw/zinc/79/90/96/600799096.db2.gz WMBAIUJGGXLIBW-HXUWFJFHSA-N -1 1 389.411 3.670 20 30 GHEDMM COc1ccc(Br)cc1CN(C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832153228 601309594 /nfs/dbraw/zinc/30/95/94/601309594.db2.gz XHTUFJYPCSRYII-QGZVFWFLSA-N -1 1 389.249 3.587 20 30 GHEDMM CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CNC(C)(C)C(=O)[O-])sc2C1 ZINC000828604024 601413010 /nfs/dbraw/zinc/41/30/10/601413010.db2.gz SMPKDYKSDROMGZ-LBPRGKRZSA-N -1 1 391.537 3.552 20 30 GHEDMM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826268517 607520270 /nfs/dbraw/zinc/52/02/70/607520270.db2.gz AVJAOESWSFTBOX-UHFFFAOYSA-N -1 1 399.433 3.788 20 30 GHEDMM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826268517 607520272 /nfs/dbraw/zinc/52/02/72/607520272.db2.gz AVJAOESWSFTBOX-UHFFFAOYSA-N -1 1 399.433 3.788 20 30 GHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(F)c(Br)c1 ZINC000822922221 606389477 /nfs/dbraw/zinc/38/94/77/606389477.db2.gz DQDJILCUJRCWCA-DJWKRKHSSA-N -1 1 379.214 3.726 20 30 GHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCCCC2)c(F)c1 ZINC000822923300 606390028 /nfs/dbraw/zinc/39/00/28/606390028.db2.gz POOSKIYVWHDJNZ-VMPITWQZSA-N -1 1 383.452 3.954 20 30 GHEDMM CC(Cc1nc2ccccc2s1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820308845 606433812 /nfs/dbraw/zinc/43/38/12/606433812.db2.gz ZHSIJKMPUIEVLN-UHFFFAOYSA-N -1 1 396.480 3.792 20 30 GHEDMM COc1cccc(CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C2CC2)c1 ZINC000826215722 607783108 /nfs/dbraw/zinc/78/31/08/607783108.db2.gz XFARQHVBZJAEAL-UHFFFAOYSA-N -1 1 395.467 3.581 20 30 GHEDMM COc1sc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1Br ZINC000826222208 608092731 /nfs/dbraw/zinc/09/27/31/608092731.db2.gz NXLQPLBOFDVHNG-IHWYPQMZSA-N -1 1 397.279 3.657 20 30 GHEDMM COc1sc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1Br ZINC000826222208 608092732 /nfs/dbraw/zinc/09/27/32/608092732.db2.gz NXLQPLBOFDVHNG-IHWYPQMZSA-N -1 1 397.279 3.657 20 30 GHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)o1 ZINC000826322992 609160484 /nfs/dbraw/zinc/16/04/84/609160484.db2.gz LASKBJQCOFVCIF-GFCCVEGCSA-N -1 1 391.357 3.918 20 30 GHEDMM Cc1ccc(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000066504595 837558150 /nfs/dbraw/zinc/55/81/50/837558150.db2.gz GUSFWMCTJLUXLE-CYBMUJFWSA-N -1 1 383.498 3.652 20 30 GHEDMM CS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1F ZINC000255088708 837803798 /nfs/dbraw/zinc/80/37/98/837803798.db2.gz UGZATGLCVJZATO-DJWKRKHSSA-N -1 1 399.237 3.593 20 30 GHEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3F)n2)c1 ZINC000120248921 834989344 /nfs/dbraw/zinc/98/93/44/834989344.db2.gz JMFPELYUAGGSGP-OAHLLOKOSA-N -1 1 395.415 3.919 20 30 GHEDMM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1nc(C2CC2)cs1 ZINC000647379845 835530732 /nfs/dbraw/zinc/53/07/32/835530732.db2.gz QWOQEQJCUTYKNR-NSHDSACASA-N -1 1 387.262 3.921 20 30 GHEDMM Cc1ccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc(C#N)cc4)cc3)nc2c1 ZINC000585416911 844184488 /nfs/dbraw/zinc/18/44/88/844184488.db2.gz GQKHKMQCQFKFIL-UHFFFAOYSA-N -1 1 388.452 3.982 20 30 GHEDMM Cc1ccc(CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000047362315 844190659 /nfs/dbraw/zinc/19/06/59/844190659.db2.gz PFSILRWZDOKDRY-HNNXBMFYSA-N -1 1 377.469 3.591 20 30 GHEDMM N#C[C@H](C(=O)C=Cc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362329 844190720 /nfs/dbraw/zinc/19/07/20/844190720.db2.gz SQRSHFSCXBRFQS-AUECHBEKSA-N -1 1 375.453 3.753 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)O[C@H](C)C#N)c2)cc1C ZINC000023416520 837009382 /nfs/dbraw/zinc/00/93/82/837009382.db2.gz SETYGFHHFGIJAG-CYBMUJFWSA-N -1 1 392.864 3.827 20 30 GHEDMM C[C@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000023416996 837009987 /nfs/dbraw/zinc/00/99/87/837009987.db2.gz BDXFYYNVBCQVIN-SNVBAGLBSA-N -1 1 399.255 3.863 20 30 GHEDMM O=S(=O)([N-]CC1(C(F)(F)F)CCC1)c1ccc(F)cc1C(F)(F)F ZINC000511412419 837115959 /nfs/dbraw/zinc/11/59/59/837115959.db2.gz FMRFFNWAXJKEEL-UHFFFAOYSA-N -1 1 379.297 3.855 20 30 GHEDMM CCOC(=O)c1sc([N-]C(=O)c2cnc([C@H](C)OCC)s2)c(C#N)c1C ZINC000610387768 838944431 /nfs/dbraw/zinc/94/44/31/838944431.db2.gz ORQJWUKALFSZAL-JTQLQIEISA-N -1 1 393.490 3.911 20 30 GHEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1 ZINC000066814111 839019553 /nfs/dbraw/zinc/01/95/53/839019553.db2.gz MRKAOTKDXDMRIB-CYBMUJFWSA-N -1 1 389.502 3.840 20 30 GHEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C#N)ccc2C)cc1 ZINC000432128587 840785309 /nfs/dbraw/zinc/78/53/09/840785309.db2.gz GPWHTORUKZTIMT-INIZCTEOSA-N -1 1 399.516 3.780 20 30 GHEDMM Cc1ccc(C#N)c(NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)n1 ZINC000500273802 841801579 /nfs/dbraw/zinc/80/15/79/841801579.db2.gz JBDXRHZHSPAXDO-UHFFFAOYSA-N -1 1 378.457 3.675 20 30 GHEDMM N#CC(=C([O-])c1ccc(C(F)(F)F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391262 842492513 /nfs/dbraw/zinc/49/25/13/842492513.db2.gz QVKRTVWALXHHJP-AWEZNQCLSA-N -1 1 398.348 3.706 20 30 GHEDMM C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000029806667 842861888 /nfs/dbraw/zinc/86/18/88/842861888.db2.gz CQHRNQGZFXLCRU-UHFFFAOYSA-N -1 1 388.464 3.749 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(F)c1 ZINC000135375455 843127095 /nfs/dbraw/zinc/12/70/95/843127095.db2.gz NKETUBWEVMCJHS-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM CN(CC#N)C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000094072622 843233359 /nfs/dbraw/zinc/23/33/59/843233359.db2.gz ZBLANVRIZLRTDV-UHFFFAOYSA-N -1 1 378.215 3.547 20 30 GHEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432780414 843808948 /nfs/dbraw/zinc/80/89/48/843808948.db2.gz NMDWWUPCSMJBMB-UHFFFAOYSA-N -1 1 381.251 3.520 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc3ccccc32)C(F)(F)F)cn1 ZINC000512440812 843810990 /nfs/dbraw/zinc/81/09/90/843810990.db2.gz ISVIMXTVTARFIJ-KRWDZBQOSA-N -1 1 391.374 3.688 20 30 GHEDMM Cc1cc(C)n2nc(C(=O)[N-]c3sc4c(c3C#N)C[C@@H](C)C[C@@H]4C)nc2n1 ZINC000573780748 845019134 /nfs/dbraw/zinc/01/91/34/845019134.db2.gz RSPPPRJLBKRXTF-UWVGGRQHSA-N -1 1 380.477 3.612 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)cc1 ZINC000513384353 845356402 /nfs/dbraw/zinc/35/64/02/845356402.db2.gz OJSUWCLZUPNORS-UHFFFAOYSA-N -1 1 397.500 3.730 20 30 GHEDMM COC(=O)c1cnc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)[n-]1 ZINC000588514553 846931294 /nfs/dbraw/zinc/93/12/94/846931294.db2.gz XBXASTUXGYLRTP-NJPLLEPOSA-N -1 1 385.489 3.558 20 30 GHEDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n1 ZINC000588514553 846931304 /nfs/dbraw/zinc/93/13/04/846931304.db2.gz XBXASTUXGYLRTP-NJPLLEPOSA-N -1 1 385.489 3.558 20 30 GHEDMM Cn1cc(-c2cc(F)ccc2[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1 ZINC000478685200 847189232 /nfs/dbraw/zinc/18/92/32/847189232.db2.gz NCKHLZOEGDMVHL-UHFFFAOYSA-N -1 1 390.827 3.552 20 30 GHEDMM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)ccc1OC ZINC000583092230 849043673 /nfs/dbraw/zinc/04/36/73/849043673.db2.gz JFQAOMCIXNUFMN-IBGZPJMESA-N -1 1 377.387 3.844 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000439625302 850210169 /nfs/dbraw/zinc/21/01/69/850210169.db2.gz ZDBRPKVRYWITIF-UHFFFAOYSA-N -1 1 380.267 3.553 20 30 GHEDMM C#Cc1cccc(N(CC)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000185847010 862135175 /nfs/dbraw/zinc/13/51/75/862135175.db2.gz ZZKCNMXEDOLROS-UHFFFAOYSA-N -1 1 389.411 3.589 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000435427465 850510827 /nfs/dbraw/zinc/51/08/27/850510827.db2.gz MULLIBUIBLWBNP-LBPRGKRZSA-N -1 1 378.372 3.731 20 30 GHEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C)c1 ZINC000435720705 850804677 /nfs/dbraw/zinc/80/46/77/850804677.db2.gz CRTBMODRARELFA-HNNXBMFYSA-N -1 1 385.489 3.504 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)ccc1C#N ZINC000435725713 850810547 /nfs/dbraw/zinc/81/05/47/850810547.db2.gz ZIIFQFUUHKMHEU-UHFFFAOYSA-N -1 1 388.489 3.609 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)ccc1C#N ZINC000435738985 850825887 /nfs/dbraw/zinc/82/58/87/850825887.db2.gz VIDSTIGHPULHGJ-UHFFFAOYSA-N -1 1 382.445 3.841 20 30 GHEDMM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001212140968 851457944 /nfs/dbraw/zinc/45/79/44/851457944.db2.gz ZNKKFAISSZHQCN-OAHLLOKOSA-N -1 1 380.853 3.714 20 30 GHEDMM N#Cc1ccc(N2CCN(C(=O)c3cc4ccccc4cc3[O-])CC2)c(F)c1 ZINC000436639437 852148506 /nfs/dbraw/zinc/14/85/06/852148506.db2.gz PCJYEMLWARCTCY-UHFFFAOYSA-N -1 1 375.403 3.519 20 30 GHEDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000517636719 852192893 /nfs/dbraw/zinc/19/28/93/852192893.db2.gz MKBALXDTVUMKAR-UHFFFAOYSA-N -1 1 395.440 3.945 20 30 GHEDMM C=CCn1c(Cc2csc(NC(=O)CSCCC(C)C)n2)n[n-]c1=S ZINC000057155130 855423440 /nfs/dbraw/zinc/42/34/40/855423440.db2.gz LQROUUYPBDBEOR-UHFFFAOYSA-N -1 1 397.595 3.892 20 30 GHEDMM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000057121282 855787244 /nfs/dbraw/zinc/78/72/44/855787244.db2.gz RKOKIGSWIUXMMZ-LBPRGKRZSA-N -1 1 391.880 3.541 20 30 GHEDMM C=CCN(CC=C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000058046412 855991914 /nfs/dbraw/zinc/99/19/14/855991914.db2.gz XVFBVCLFQVSMPS-UHFFFAOYSA-N -1 1 384.501 3.918 20 30 GHEDMM Cc1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1C#N ZINC000485076682 856074807 /nfs/dbraw/zinc/07/48/07/856074807.db2.gz UJTZGVJQGGMCMD-UHFFFAOYSA-N -1 1 385.228 3.673 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C(F)(F)F ZINC000172675159 856535026 /nfs/dbraw/zinc/53/50/26/856535026.db2.gz HWMQTPLCBPQPLY-UHFFFAOYSA-N -1 1 383.395 3.752 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000063878401 857073276 /nfs/dbraw/zinc/07/32/76/857073276.db2.gz GSQZDRVHKCTUIB-UHFFFAOYSA-N -1 1 377.425 3.611 20 30 GHEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(F)cc2Cl)C1=O ZINC000906485711 857134024 /nfs/dbraw/zinc/13/40/24/857134024.db2.gz LTOHVLUNLQCDKH-SFHVURJKSA-N -1 1 383.851 3.795 20 30 GHEDMM COc1cc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc(Cl)c1[O-] ZINC000442941785 858259193 /nfs/dbraw/zinc/25/91/93/858259193.db2.gz GPJWXDOYTYKIMN-ZDUSSCGKSA-N -1 1 395.640 3.811 20 30 GHEDMM Cc1ccnc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Br ZINC000594730491 858266605 /nfs/dbraw/zinc/26/66/05/858266605.db2.gz KYRPQFDQAIJIBU-UHFFFAOYSA-N -1 1 394.294 3.755 20 30 GHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000443412278 858656373 /nfs/dbraw/zinc/65/63/73/858656373.db2.gz ASEJQCNGPYHWPH-UHFFFAOYSA-N -1 1 393.530 3.626 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3CCOCC3)cc2)n1 ZINC000601730776 859488401 /nfs/dbraw/zinc/48/84/01/859488401.db2.gz RHLOZUFHXASOCZ-MRXNPFEDSA-N -1 1 384.457 3.704 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C[C@@H](C)C#N)C3CC3)c2)c1 ZINC000611086164 859603420 /nfs/dbraw/zinc/60/34/20/859603420.db2.gz CLVVRGZWVSNWLA-INIZCTEOSA-N -1 1 397.500 3.560 20 30 GHEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2[nH]nc3cc(C(=O)[O-])ccc23)S1 ZINC000765500261 860011287 /nfs/dbraw/zinc/01/12/87/860011287.db2.gz HVZVFSNXILKZER-SXGWCWSVSA-N -1 1 392.440 3.770 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N([C@H](C)C#N)C3CC3)ccc2C)c1 ZINC000598122433 860047015 /nfs/dbraw/zinc/04/70/15/860047015.db2.gz AZMLAVOKMONXIY-MRXNPFEDSA-N -1 1 397.500 3.621 20 30 GHEDMM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(OC)c1Br ZINC000041518271 860806996 /nfs/dbraw/zinc/80/69/96/860806996.db2.gz SOGABIQZQHZAQB-JTQLQIEISA-N -1 1 381.251 3.721 20 30 GHEDMM N#C[C@@H](C(=O)C1Cc2ccccc2C1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000763927876 861001101 /nfs/dbraw/zinc/00/11/01/861001101.db2.gz ORUKEZFPQMPAJR-INIZCTEOSA-N -1 1 389.480 3.867 20 30 GHEDMM Cc1cc(C)n(Cc2cccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c2)n1 ZINC000607722431 864693854 /nfs/dbraw/zinc/69/38/54/864693854.db2.gz MJKFIPFFNCMEEQ-SFHVURJKSA-N -1 1 384.443 3.618 20 30 GHEDMM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Cl ZINC000063443846 864763104 /nfs/dbraw/zinc/76/31/04/864763104.db2.gz PNRHHZLAIVFFNR-UHFFFAOYSA-N -1 1 384.244 3.624 20 30 GHEDMM N#Cc1ccc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)cc1[O-] ZINC000554816087 864947854 /nfs/dbraw/zinc/94/78/54/864947854.db2.gz CJORHHWQMLUMLX-GOSISDBHSA-N -1 1 378.325 3.994 20 30 GHEDMM C=C(Cl)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000736245249 865163780 /nfs/dbraw/zinc/16/37/80/865163780.db2.gz LTBWRRZCFOVKQN-UHFFFAOYSA-N -1 1 385.272 3.623 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000741136381 866262572 /nfs/dbraw/zinc/26/25/72/866262572.db2.gz UZLVKWUBNITNPE-UHFFFAOYSA-N -1 1 392.484 3.867 20 30 GHEDMM Cc1ccc([C@@H]2CCCC2=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000741839715 866843451 /nfs/dbraw/zinc/84/34/51/866843451.db2.gz OKFYDJWCCTWZPF-SFHVURJKSA-N -1 1 387.461 3.646 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000553561123 867660418 /nfs/dbraw/zinc/66/04/18/867660418.db2.gz SRFAYEBWQCPNLS-CABCVRRESA-N -1 1 384.379 3.785 20 30 GHEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1C#N ZINC000069423234 870847344 /nfs/dbraw/zinc/84/73/44/870847344.db2.gz ZLEFKWPNDCBIHO-UHFFFAOYSA-N -1 1 379.445 3.777 20 30 GHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000443363280 871589760 /nfs/dbraw/zinc/58/97/60/871589760.db2.gz VEXAAJJCDSVBBT-UHFFFAOYSA-N -1 1 395.278 3.909 20 30 GHEDMM O=C([N-]CCc1cc(C(F)(F)F)ccn1)C(F)(F)c1cc(F)cc(F)c1 ZINC001129334405 871610555 /nfs/dbraw/zinc/61/05/55/871610555.db2.gz CXVFTTYWLYHMCL-UHFFFAOYSA-N -1 1 380.263 3.829 20 30 GHEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)cc1F ZINC001194380355 871693027 /nfs/dbraw/zinc/69/30/27/871693027.db2.gz JJSBYWKZHRIIQW-UHFFFAOYSA-N -1 1 376.796 3.515 20 30 GHEDMM O=C(Nc1nc(Br)ccc1[O-])c1ccc(C#CBr)cc1 ZINC001194786841 871933845 /nfs/dbraw/zinc/93/38/45/871933845.db2.gz KTVAPYMJKVZTPS-UHFFFAOYSA-N -1 1 396.038 3.506 20 30 GHEDMM 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20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C)CC3)cc2)ccc1C#N ZINC000435716475 850801114 /nfs/dbraw/zinc/80/11/14/850801114.db2.gz GFHURGLGDDWBQO-UHFFFAOYSA-N -1 1 397.500 3.540 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)ccc1C#N ZINC000435719365 850804360 /nfs/dbraw/zinc/80/43/60/850804360.db2.gz LTQYONOJBRWSGN-UHFFFAOYSA-N -1 1 397.500 3.730 20 30 GHEDMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C)c1 ZINC000435720707 850804539 /nfs/dbraw/zinc/80/45/39/850804539.db2.gz CRTBMODRARELFA-OAHLLOKOSA-N -1 1 385.489 3.504 20 30 GHEDMM N#CCc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000048818048 851522658 /nfs/dbraw/zinc/52/26/58/851522658.db2.gz JAPDLZNWOHKLHV-OAHLLOKOSA-N -1 1 388.452 3.832 20 30 GHEDMM C[C@H](C#N)CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CC1 ZINC000436610413 852110619 /nfs/dbraw/zinc/11/06/19/852110619.db2.gz XXUVQFPCVWXUQV-GFCCVEGCSA-N -1 1 399.397 3.687 20 30 GHEDMM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000437000540 852617741 /nfs/dbraw/zinc/61/77/41/852617741.db2.gz UOQXTZPOUWSPEL-QGZVFWFLSA-N -1 1 390.270 3.722 20 30 GHEDMM C=C(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000490025695 852711332 /nfs/dbraw/zinc/71/13/32/852711332.db2.gz IJJNDMADMXVEKO-UHFFFAOYSA-N -1 1 398.406 3.812 20 30 GHEDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccc1F ZINC000507564819 853057785 /nfs/dbraw/zinc/05/77/85/853057785.db2.gz KEGGBTUQVCWWGG-UHFFFAOYSA-N -1 1 386.326 3.720 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)o1 ZINC000588108353 854113559 /nfs/dbraw/zinc/11/35/59/854113559.db2.gz BORWLMXCWZNTSX-SFHVURJKSA-N -1 1 391.452 3.743 20 30 GHEDMM COC(=O)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(C(C)(C)C)cc1 ZINC000589183803 854736253 /nfs/dbraw/zinc/73/62/53/854736253.db2.gz QKOROQBIVRIXPG-LJQANCHMSA-N -1 1 380.444 3.596 20 30 GHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OCCOCC)cc2)c1 ZINC000589438999 854876513 /nfs/dbraw/zinc/87/65/13/854876513.db2.gz JGFYVYKSBXXNOK-UHFFFAOYSA-N -1 1 391.489 3.858 20 30 GHEDMM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)c1 ZINC000055590453 855354019 /nfs/dbraw/zinc/35/40/19/855354019.db2.gz SOSRRJPSFLWSSV-UHFFFAOYSA-N -1 1 389.436 3.810 20 30 GHEDMM N#C[C@]1(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC12CCCC2 ZINC000520508086 855562421 /nfs/dbraw/zinc/56/24/21/855562421.db2.gz JZGTYKGESWYJRM-QFIPXVFZSA-N -1 1 381.476 3.867 20 30 GHEDMM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)o1 ZINC000108088643 855698910 /nfs/dbraw/zinc/69/89/10/855698910.db2.gz IQPVNJZFMPTEQR-UHFFFAOYSA-N -1 1 394.334 3.853 20 30 GHEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000108250885 855781550 /nfs/dbraw/zinc/78/15/50/855781550.db2.gz RIHVSCQUVYQKNL-UHFFFAOYSA-N -1 1 390.486 3.654 20 30 GHEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000591425468 855972922 /nfs/dbraw/zinc/97/29/22/855972922.db2.gz WUQPYNSICZKPEV-UHFFFAOYSA-N -1 1 396.450 3.633 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000172592023 856110360 /nfs/dbraw/zinc/11/03/60/856110360.db2.gz AHHFJPBHMHNIII-VWLOTQADSA-N -1 1 390.530 3.715 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c(C)c1F ZINC000181147071 862773322 /nfs/dbraw/zinc/77/33/22/862773322.db2.gz DJPCZSDYOKVMDM-UHFFFAOYSA-N -1 1 380.466 3.949 20 30 GHEDMM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485269362 856295803 /nfs/dbraw/zinc/29/58/03/856295803.db2.gz DLFQSIOVZPZLTL-LLVKDONJSA-N -1 1 394.449 3.576 20 30 GHEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000508095930 856906883 /nfs/dbraw/zinc/90/68/83/856906883.db2.gz PFWCAOWIJFCAKH-LBPRGKRZSA-N -1 1 387.741 3.960 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)ccc1F ZINC000508099522 856915672 /nfs/dbraw/zinc/91/56/72/856915672.db2.gz UUPMIMIUPYVKKS-INIZCTEOSA-N -1 1 397.353 3.761 20 30 GHEDMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934093 856934408 /nfs/dbraw/zinc/93/44/08/856934408.db2.gz BSCMGOOTRHNERN-HNNXBMFYSA-N -1 1 394.434 3.953 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1Br ZINC000508143273 856987807 /nfs/dbraw/zinc/98/78/07/856987807.db2.gz SJWVKGFHOFVTLR-UHFFFAOYSA-N -1 1 387.205 3.541 20 30 GHEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000282184664 857176958 /nfs/dbraw/zinc/17/69/58/857176958.db2.gz NIRNIAKNSUDWMR-UHFFFAOYSA-N -1 1 394.353 3.811 20 30 GHEDMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000672404838 857277227 /nfs/dbraw/zinc/27/72/27/857277227.db2.gz INWLMKPBLMNHEI-UHFFFAOYSA-N -1 1 383.285 3.734 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(F)c(Br)c2)n1 ZINC000442812160 858154327 /nfs/dbraw/zinc/15/43/27/858154327.db2.gz QFCDVFZJORVRBQ-SECBINFHSA-N -1 1 397.225 3.711 20 30 GHEDMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673604 858158846 /nfs/dbraw/zinc/15/88/46/858158846.db2.gz RVYUCPUIKCZXHR-UHFFFAOYSA-N -1 1 399.516 3.930 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccoc2)c1 ZINC000114673906 858158972 /nfs/dbraw/zinc/15/89/72/858158972.db2.gz NSOPQMYJSTXEQL-UHFFFAOYSA-N -1 1 381.413 3.513 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000114673716 858159178 /nfs/dbraw/zinc/15/91/78/858159178.db2.gz RDUQYOICACTBLL-UHFFFAOYSA-N -1 1 395.440 3.821 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000114673826 858159250 /nfs/dbraw/zinc/15/92/50/858159250.db2.gz SPAPSZGQGLOQFE-UHFFFAOYSA-N -1 1 388.489 3.609 20 30 GHEDMM COC[C@@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)c1ccc(C)o1 ZINC000594761607 858275304 /nfs/dbraw/zinc/27/53/04/858275304.db2.gz QYNZHDFWCYGJQR-OAHLLOKOSA-N -1 1 390.486 3.649 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cc1Cl ZINC000067659750 858654420 /nfs/dbraw/zinc/65/44/20/858654420.db2.gz JMGBTQFHSBUQSD-UHFFFAOYSA-N -1 1 389.786 3.987 20 30 GHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)OC ZINC000443418260 858666487 /nfs/dbraw/zinc/66/64/87/858666487.db2.gz SAUMKHOTVGMASG-UHFFFAOYSA-N -1 1 396.468 3.941 20 30 GHEDMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C#N)c(F)c1 ZINC000593210365 858985834 /nfs/dbraw/zinc/98/58/34/858985834.db2.gz DRUUBPLINAZFKO-UHFFFAOYSA-N -1 1 382.438 3.515 20 30 GHEDMM C=CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000116852943 859193694 /nfs/dbraw/zinc/19/36/94/859193694.db2.gz CZEDYXSQCJOCLZ-OAHLLOKOSA-N -1 1 388.489 3.581 20 30 GHEDMM N#Cc1cnc2c(F)ccc(F)c2c1NCc1cccc(Br)c1[O-] ZINC000764933377 859689286 /nfs/dbraw/zinc/68/92/86/859689286.db2.gz CTZLPXQIGGZYMQ-UHFFFAOYSA-N -1 1 390.187 3.887 20 30 GHEDMM N#Cc1ccc(C2(NCc3ccc(N4CCC(C(=O)[O-])CC4)o3)CCC2)cc1 ZINC000904252114 860267593 /nfs/dbraw/zinc/26/75/93/860267593.db2.gz STWXJLPGFNSZAJ-UHFFFAOYSA-N -1 1 379.460 3.621 20 30 GHEDMM O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1cccc(Br)c1[O-] ZINC000765754226 860568105 /nfs/dbraw/zinc/56/81/05/860568105.db2.gz SUIGGCDNMATUOE-UHFFFAOYSA-N -1 1 398.178 3.841 20 30 GHEDMM 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O=S1(=O)[N-]C(=NN=Cc2ccc(-c3cccs3)cc2F)c2ccccc21 ZINC000917548040 892158029 /nfs/dbraw/zinc/15/80/29/892158029.db2.gz IYKWCLWYHQCCHZ-UHFFFAOYSA-N -1 1 385.445 3.627 20 30 GHEDMM CC(=NNCCOC(C)C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000814898835 893262640 /nfs/dbraw/zinc/26/26/40/893262640.db2.gz DHUNJPHNDCGASJ-UHFFFAOYSA-N -1 1 389.521 3.534 20 30 GHEDMM CO[C@@H]1CCC[C@@H](C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000815899172 894302524 /nfs/dbraw/zinc/30/25/24/894302524.db2.gz HYESUIPUFZIAHZ-BZPMIXESSA-N -1 1 385.489 3.657 20 30 GHEDMM CSc1ccccc1CC(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000826231072 896557174 /nfs/dbraw/zinc/55/71/74/896557174.db2.gz VSZWTCDGHBCWCE-UHFFFAOYSA-N -1 1 385.497 3.905 20 30 GHEDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000132291253 897745765 /nfs/dbraw/zinc/74/57/65/897745765.db2.gz UOFSACZCWRPECT-UHFFFAOYSA-N -1 1 393.396 3.526 20 30 GHEDMM N#Cc1cc(Cl)cc(Cl)c1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186183930 914347655 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O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000255312394 841520379 /nfs/dbraw/zinc/52/03/79/841520379.db2.gz OALZPVCNAWTJTF-WMZJFQQLSA-N -1 1 389.448 3.602 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)c1 ZINC000467763385 842149844 /nfs/dbraw/zinc/14/98/44/842149844.db2.gz SUMGBINQRXZZPV-UHFFFAOYSA-N -1 1 398.406 3.730 20 30 GHEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C)CC#N)c2)cc1 ZINC000512108401 842522402 /nfs/dbraw/zinc/52/24/02/842522402.db2.gz VWEBTLIRRSUZOP-MRXNPFEDSA-N -1 1 399.516 3.862 20 30 GHEDMM C[C@H](C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccsc1 ZINC000121553405 842813401 /nfs/dbraw/zinc/81/34/01/842813401.db2.gz QWCZXETZWUUWQY-GXFFZTMASA-N -1 1 383.498 3.905 20 30 GHEDMM Cc1nc(C2CC2)oc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000329444971 861440858 /nfs/dbraw/zinc/44/08/58/861440858.db2.gz CHUJEMVHFAKJDX-GFCCVEGCSA-N -1 1 394.456 3.940 20 30 GHEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1C ZINC000432768433 843759658 /nfs/dbraw/zinc/75/96/58/843759658.db2.gz LFWJZMHKRITXKU-UHFFFAOYSA-N -1 1 393.262 3.633 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000614297150 845545056 /nfs/dbraw/zinc/54/50/56/845545056.db2.gz QYMPYRYYYORIPF-UHFFFAOYSA-N -1 1 375.359 3.908 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1F ZINC000108252147 846481255 /nfs/dbraw/zinc/48/12/55/846481255.db2.gz VUEZEPNUFNIVOD-GFCCVEGCSA-N -1 1 380.466 3.887 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000024103298 848061824 /nfs/dbraw/zinc/06/18/24/848061824.db2.gz WFTTVTPNQCHWMG-UHFFFAOYSA-N -1 1 383.454 3.673 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)ccc1C#N ZINC000435757742 849022837 /nfs/dbraw/zinc/02/28/37/849022837.db2.gz CAJCYGHRSJOYMV-UHFFFAOYSA-N -1 1 384.486 3.552 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3cc(F)cc(F)c3)n[nH]2)ccc1Cl ZINC000486817621 850120400 /nfs/dbraw/zinc/12/04/00/850120400.db2.gz DDEKCGPDXODYCT-UHFFFAOYSA-N -1 1 394.790 3.681 20 30 GHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)n1 ZINC000486978613 850309740 /nfs/dbraw/zinc/30/97/40/850309740.db2.gz ZQZCTTHPELHEEW-HNNXBMFYSA-N -1 1 389.440 3.596 20 30 GHEDMM C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1 ZINC000435292042 850320492 /nfs/dbraw/zinc/32/04/92/850320492.db2.gz XEGOIMGFGDLYSS-INIZCTEOSA-N -1 1 390.505 3.794 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CCC#N)CC3CC3)cc2)cc1 ZINC000505187341 850697228 /nfs/dbraw/zinc/69/72/28/850697228.db2.gz KRHCCMKDMQEXRJ-UHFFFAOYSA-N -1 1 397.500 3.562 20 30 GHEDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1 ZINC000435721996 850805671 /nfs/dbraw/zinc/80/56/71/850805671.db2.gz GLLYDMNFCJASGO-UHFFFAOYSA-N -1 1 385.489 3.586 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H](C#N)C3)ccc2C)cc1 ZINC000424965330 850827409 /nfs/dbraw/zinc/82/74/09/850827409.db2.gz FTELJQHCNPQBIZ-QFBILLFUSA-N -1 1 397.500 3.526 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)ccc1C#N ZINC000435759069 850853732 /nfs/dbraw/zinc/85/37/32/850853732.db2.gz IPGFHGSZXSIAES-UHFFFAOYSA-N -1 1 397.500 3.684 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC3(CC#N)CC3)cc2)cc1C ZINC000435958413 851024064 /nfs/dbraw/zinc/02/40/64/851024064.db2.gz LSYFKMSOVZVDSB-UHFFFAOYSA-N -1 1 397.500 3.528 20 30 GHEDMM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1C#N ZINC000061633049 862268941 /nfs/dbraw/zinc/26/89/41/862268941.db2.gz SMWMOOHOWAQDJT-MRXNPFEDSA-N -1 1 393.472 3.543 20 30 GHEDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000015805418 862282938 /nfs/dbraw/zinc/28/29/38/862282938.db2.gz HIMDDLOLBNYMCG-SNVBAGLBSA-N -1 1 376.869 3.779 20 30 GHEDMM C[C@@H](C#N)CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CC1 ZINC000436610418 852110384 /nfs/dbraw/zinc/11/03/84/852110384.db2.gz XXUVQFPCVWXUQV-LBPRGKRZSA-N -1 1 399.397 3.687 20 30 GHEDMM N#Cc1cccnc1-n1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC000436625350 852120310 /nfs/dbraw/zinc/12/03/10/852120310.db2.gz OEYIPANXFHJKTO-UHFFFAOYSA-N -1 1 397.394 3.889 20 30 GHEDMM CC(C)Oc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000426000162 852365438 /nfs/dbraw/zinc/36/54/38/852365438.db2.gz BJYHUNAXEGWZMD-UHFFFAOYSA-N -1 1 395.278 3.909 20 30 GHEDMM Cc1ccc(F)c(-c2cc(=NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)[nH][n-]2)c1 ZINC000507174757 852644543 /nfs/dbraw/zinc/64/45/43/852644543.db2.gz CREAAUYYJXMULA-UHFFFAOYSA-N -1 1 378.382 3.627 20 30 GHEDMM Cc1nn(C(C)C)cc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000517172351 853466555 /nfs/dbraw/zinc/46/65/55/853466555.db2.gz JXQUPPWOGUVRER-CYBMUJFWSA-N -1 1 395.488 3.852 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1Cl ZINC000481942784 862528692 /nfs/dbraw/zinc/52/86/92/862528692.db2.gz KPQWCUZJOYGFOO-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000604880383 862594614 /nfs/dbraw/zinc/59/46/14/862594614.db2.gz HILBNNYZFRHHGS-ZDUSSCGKSA-N -1 1 378.881 3.835 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1 ZINC000589166660 854710739 /nfs/dbraw/zinc/71/07/39/854710739.db2.gz JUTYBECZTVIHJZ-UHFFFAOYSA-N -1 1 386.433 3.799 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)c1 ZINC000589174227 854715736 /nfs/dbraw/zinc/71/57/36/854715736.db2.gz NIJMNMGEOVRFMR-UHFFFAOYSA-N -1 1 383.407 3.719 20 30 GHEDMM COc1ccc(C2(CNC(=O)c3cc([O-])cc(C#N)c3)CCCCC2)cc1OC ZINC000589181270 854736055 /nfs/dbraw/zinc/73/60/55/854736055.db2.gz KWNKRIVTRHKVNH-UHFFFAOYSA-N -1 1 394.471 3.913 20 30 GHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000188678966 854899750 /nfs/dbraw/zinc/89/97/50/854899750.db2.gz HKVZUARNYKOACR-UHFFFAOYSA-N -1 1 382.239 3.652 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(Cl)c1 ZINC000225224021 855240999 /nfs/dbraw/zinc/24/09/99/855240999.db2.gz NTXFSCWCLUABCN-UHFFFAOYSA-N -1 1 377.672 3.836 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)c1 ZINC000590495445 855436238 /nfs/dbraw/zinc/43/62/38/855436238.db2.gz PETGCJZELLSWJM-CQSZACIVSA-N -1 1 385.261 3.731 20 30 GHEDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1 ZINC000542718403 855539947 /nfs/dbraw/zinc/53/99/47/855539947.db2.gz ONNUQWZLVZSRHN-UHFFFAOYSA-N -1 1 389.433 3.671 20 30 GHEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508066791 856873929 /nfs/dbraw/zinc/87/39/29/856873929.db2.gz FDXWCFIAUUGRMJ-INIZCTEOSA-N -1 1 379.363 3.621 20 30 GHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1C#N ZINC000593203928 857393629 /nfs/dbraw/zinc/39/36/29/857393629.db2.gz BUQGCCIPFQLLLH-UHFFFAOYSA-N -1 1 383.473 3.947 20 30 GHEDMM CC(=O)N(c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1)C1CC1 ZINC000593216024 857434574 /nfs/dbraw/zinc/43/45/74/857434574.db2.gz PHRRGVXAHBTIME-UHFFFAOYSA-N -1 1 397.500 3.804 20 30 GHEDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)c(C#N)c2)cc1 ZINC000442220185 857635949 /nfs/dbraw/zinc/63/59/49/857635949.db2.gz IOVCLBBVGXMMSL-UHFFFAOYSA-N -1 1 388.392 3.980 20 30 GHEDMM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001212482708 857785234 /nfs/dbraw/zinc/78/52/34/857785234.db2.gz IDYQXZCDPPSXOR-PWSUYJOCSA-N -1 1 393.734 3.911 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)ccc1Cl ZINC000067659751 858654344 /nfs/dbraw/zinc/65/43/44/858654344.db2.gz HSFGITCKOUCAFS-UHFFFAOYSA-N -1 1 389.786 3.987 20 30 GHEDMM N#Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000429342143 859086573 /nfs/dbraw/zinc/08/65/73/859086573.db2.gz WJZQKXOAIOXNKD-NSHDSACASA-N -1 1 380.454 3.699 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C[C@H](C)C#N)C3CC3)c2)cc1 ZINC000611086527 859604388 /nfs/dbraw/zinc/60/43/88/859604388.db2.gz HJKSZDLWDRICQJ-MRXNPFEDSA-N -1 1 397.500 3.560 20 30 GHEDMM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000041557414 860800780 /nfs/dbraw/zinc/80/07/80/860800780.db2.gz QHUKQLSZTWFEIA-PGGUUEOZSA-N -1 1 387.411 3.800 20 30 GHEDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OC(C)C ZINC000185633860 861106868 /nfs/dbraw/zinc/10/68/68/861106868.db2.gz IOLSPMLMVPIHST-UHFFFAOYSA-N -1 1 380.853 3.808 20 30 GHEDMM C=CCNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1C ZINC000007527740 864503823 /nfs/dbraw/zinc/50/38/23/864503823.db2.gz CFKZFJGGJSQYDI-UHFFFAOYSA-N -1 1 395.937 3.922 20 30 GHEDMM CC(C)CN(Cc1ccc(C#N)cc1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735297492 864713566 /nfs/dbraw/zinc/71/35/66/864713566.db2.gz LPSQBSPFFLUPRL-UHFFFAOYSA-N -1 1 378.505 3.990 20 30 GHEDMM C=C(C)CN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000216575079 864730182 /nfs/dbraw/zinc/73/01/82/864730182.db2.gz URUXMUYGYUIUES-UHFFFAOYSA-N -1 1 390.480 3.973 20 30 GHEDMM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1nc2cc(F)ccc2s1 ZINC000608553201 865452445 /nfs/dbraw/zinc/45/24/45/865452445.db2.gz YUWDSFYBUSJCNW-HNNXBMFYSA-N -1 1 377.404 3.565 20 30 GHEDMM CCC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000555138944 865596931 /nfs/dbraw/zinc/59/69/31/865596931.db2.gz WNFTVXNPJMYFAI-GOSISDBHSA-N -1 1 385.489 3.526 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C#N)CC(C)C)cc2)cc1C ZINC000608823035 865756964 /nfs/dbraw/zinc/75/69/64/865756964.db2.gz KZSSELMROIYPTK-IBGZPJMESA-N -1 1 399.516 3.772 20 30 GHEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)Sc1nc(CCC)cc(=O)[n-]1 ZINC000667845728 866078384 /nfs/dbraw/zinc/07/83/84/866078384.db2.gz XBGFLJSMGOABCX-CYBMUJFWSA-N -1 1 377.535 3.892 20 30 GHEDMM C#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCCCC1 ZINC000744001549 868522930 /nfs/dbraw/zinc/52/29/30/868522930.db2.gz WGXPTNZDMPNCMK-UHFFFAOYSA-N -1 1 396.512 3.896 20 30 GHEDMM CCOc1ccc(Oc2cc(CNC(=O)c3ccc(C#N)c([O-])c3)ccn2)cc1 ZINC000442731981 868542510 /nfs/dbraw/zinc/54/25/10/868542510.db2.gz LDIFMFXGBNKXNU-UHFFFAOYSA-N -1 1 389.411 3.780 20 30 GHEDMM C[C@@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000746092162 870036903 /nfs/dbraw/zinc/03/69/03/870036903.db2.gz UTIVQSUCXVLMTB-NSHDSACASA-N -1 1 397.378 3.604 20 30 GHEDMM C[C@H](O)c1ccc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1 ZINC001192350323 870309409 /nfs/dbraw/zinc/30/94/09/870309409.db2.gz IZSRAYYUPLPVAN-OVMKCGGTSA-N -1 1 394.456 3.527 20 30 GHEDMM C=CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C)C1CC1 ZINC000540134162 870605615 /nfs/dbraw/zinc/60/56/15/870605615.db2.gz YYAXYAQORYEPEW-UHFFFAOYSA-N -1 1 388.464 3.726 20 30 GHEDMM C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000022409018 870767720 /nfs/dbraw/zinc/76/77/20/870767720.db2.gz DZVCMTYVWXOPTR-UHFFFAOYSA-N -1 1 376.437 3.721 20 30 GHEDMM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1Cl ZINC001193964936 871406418 /nfs/dbraw/zinc/40/64/18/871406418.db2.gz HZLYKUIKNNJDCO-UHFFFAOYSA-N -1 1 389.191 3.503 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000619463139 872658900 /nfs/dbraw/zinc/65/89/00/872658900.db2.gz JAFIXOIMRXUNLS-UHFFFAOYSA-N -1 1 397.431 3.667 20 30 GHEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000464422207 873850926 /nfs/dbraw/zinc/85/09/26/873850926.db2.gz XYZXLKTUWFISEG-CYBMUJFWSA-N -1 1 397.697 3.848 20 30 GHEDMM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000464424563 873854729 /nfs/dbraw/zinc/85/47/29/873854729.db2.gz YAYQRHVQTZFFNF-NSHDSACASA-N -1 1 376.260 3.739 20 30 GHEDMM CCCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000769819155 874284059 /nfs/dbraw/zinc/28/40/59/874284059.db2.gz NTUVYTVOTOTTMZ-UHFFFAOYSA-N -1 1 378.358 3.704 20 30 GHEDMM C=CCCCC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000475727153 882867267 /nfs/dbraw/zinc/86/72/67/882867267.db2.gz LRSUXROVLPTFGT-UHFFFAOYSA-N -1 1 376.453 3.599 20 30 GHEDMM C=C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000465110263 875109078 /nfs/dbraw/zinc/10/90/78/875109078.db2.gz OOTVRXSRHLBTKB-GFCCVEGCSA-N -1 1 398.406 3.811 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)nc(C(F)(F)F)c2)cc1C#N ZINC001201295118 875614422 /nfs/dbraw/zinc/61/44/22/875614422.db2.gz MYGPOWUSMHYPAE-UHFFFAOYSA-N -1 1 375.759 3.735 20 30 GHEDMM CCOc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)ccc1Br ZINC001201323471 875633601 /nfs/dbraw/zinc/63/36/01/875633601.db2.gz GELKWDUXUJWDSL-UHFFFAOYSA-N -1 1 395.278 3.829 20 30 GHEDMM CCCCCCCCCCS(=O)(=O)[N-][C@@H](C(=O)OCC)c1ccccn1 ZINC001201837498 875898754 /nfs/dbraw/zinc/89/87/54/875898754.db2.gz XQDXWSZVTIZLFN-GOSISDBHSA-N -1 1 384.542 3.746 20 30 GHEDMM C[C@H](CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)[C@@H]1CCCO1 ZINC000850740557 877134451 /nfs/dbraw/zinc/13/44/51/877134451.db2.gz XXAFFHLZEGQMPN-KYOSRNDESA-N -1 1 385.489 3.657 20 30 GHEDMM Cc1ncc(C=CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000112483516 879991910 /nfs/dbraw/zinc/99/19/10/879991910.db2.gz XIYGTLIPMUZYNP-YBJDMEARSA-N -1 1 396.497 3.518 20 30 GHEDMM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000185119854 880482007 /nfs/dbraw/zinc/48/20/07/880482007.db2.gz FWKSOZJRWQPDKT-ZETCQYMHSA-N -1 1 386.098 3.726 20 30 GHEDMM C=CCn1c([C@H]2CCCO2)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000453417332 880883148 /nfs/dbraw/zinc/88/31/48/880883148.db2.gz ZZAXZOVVTKEGHY-IAOVAPTHSA-N -1 1 376.888 3.579 20 30 GHEDMM C=CCn1c([C@H]2CCCO2)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000453417333 880884103 /nfs/dbraw/zinc/88/41/03/880884103.db2.gz ZZAXZOVVTKEGHY-KBRIMQKVSA-N -1 1 376.888 3.579 20 30 GHEDMM C=C(C)Cn1c(SCC(=O)Nc2ccc(F)cc2[O-])nnc1-c1ccco1 ZINC000532012889 880916628 /nfs/dbraw/zinc/91/66/28/880916628.db2.gz MZCUHUAKPIUTMO-UHFFFAOYSA-N -1 1 388.424 3.690 20 30 GHEDMM Cn1cc([C@H]([N-]C(=O)c2cc(F)c(C(F)(F)F)cc2F)C(F)(F)F)cn1 ZINC000804626984 883139748 /nfs/dbraw/zinc/13/97/48/883139748.db2.gz XKTZECINAPLXQA-NSHDSACASA-N -1 1 387.230 3.751 20 30 GHEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064475385 883474916 /nfs/dbraw/zinc/47/49/16/883474916.db2.gz KMNSISHVIRCVAL-UHFFFAOYSA-N -1 1 377.491 3.517 20 30 GHEDMM Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC001183694895 912736345 /nfs/dbraw/zinc/73/63/45/912736345.db2.gz SGQYPQIRYIJGJX-NRFANRHFSA-N -1 1 399.450 3.969 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2cn3ccsc3n2)cc1 ZINC000475788048 883796506 /nfs/dbraw/zinc/79/65/06/883796506.db2.gz HFENKRVREPOODH-UHFFFAOYSA-N -1 1 394.481 3.930 20 30 GHEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(OCCC(C)C)cc1 ZINC000914599474 884305800 /nfs/dbraw/zinc/30/58/00/884305800.db2.gz DHTXADAPKLBZHC-UHFFFAOYSA-N -1 1 385.489 3.574 20 30 GHEDMM N#Cc1ccc(OCc2ccc(C(=O)[N-]c3nnc(C(F)F)s3)o2)cc1 ZINC000102722984 884371300 /nfs/dbraw/zinc/37/13/00/884371300.db2.gz MHGWUYVSMKOZNM-UHFFFAOYSA-N -1 1 376.344 3.772 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 ZINC000475825644 884385108 /nfs/dbraw/zinc/38/51/08/884385108.db2.gz FXDATPRLDXQPHU-UHFFFAOYSA-N -1 1 392.305 3.979 20 30 GHEDMM C=CCOc1c(Br)cc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC000263344460 884683727 /nfs/dbraw/zinc/68/37/27/884683727.db2.gz OFQQTXKXHXCRKE-OCCSQVGLSA-N -1 1 398.297 3.708 20 30 GHEDMM C=CCN(CC=C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000123430313 885219700 /nfs/dbraw/zinc/21/97/00/885219700.db2.gz NNQRVZKUWSYFJS-UHFFFAOYSA-N -1 1 388.464 3.749 20 30 GHEDMM O=C(C#Cc1ccc2c(c1)OCO2)Nc1c([O-])cc(Br)cc1Cl ZINC000808112853 886022230 /nfs/dbraw/zinc/02/22/30/886022230.db2.gz NDBCRTAGNYGBSM-UHFFFAOYSA-N -1 1 394.608 3.527 20 30 GHEDMM C=CCOCCCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000173499791 886879252 /nfs/dbraw/zinc/87/92/52/886879252.db2.gz XDHANZBDJLJBSP-UHFFFAOYSA-N -1 1 388.489 3.717 20 30 GHEDMM COc1ccc(CN2CCCC[C@@H]2CN(C)C(=O)CCC(=O)C2=CC=C[CH]2)cc1 ZINC001184243362 913095112 /nfs/dbraw/zinc/09/51/12/913095112.db2.gz IUWAFIGFPXXAOF-OAQYLSRUSA-N -1 1 395.523 3.558 20 30 GHEDMM N#Cc1ccccc1N1CCC[N@H+](Cc2cccc(O)c2Br)CC1 ZINC000459309080 887245638 /nfs/dbraw/zinc/24/56/38/887245638.db2.gz SHRXBFJTPNHDJO-UHFFFAOYSA-N -1 1 386.293 3.739 20 30 GHEDMM Cc1ccc(N=Cc2ccc(O)c(O)c2O)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000915979730 888594971 /nfs/dbraw/zinc/59/49/71/888594971.db2.gz KBBSGGVXNIUZMM-UHFFFAOYSA-N -1 1 398.440 3.663 20 30 GHEDMM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c1 ZINC001132763633 889503804 /nfs/dbraw/zinc/50/38/04/889503804.db2.gz DFNQACJTNBXVLG-OAHLLOKOSA-N -1 1 396.428 3.686 20 30 GHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000063180610 889519458 /nfs/dbraw/zinc/51/94/58/889519458.db2.gz JJXNVTZGXHRTSN-UHFFFAOYSA-N -1 1 388.489 3.534 20 30 GHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(F)(F)F)ncn2)cc1 ZINC000870146416 890232694 /nfs/dbraw/zinc/23/26/94/890232694.db2.gz YHDKINJMTQFQJN-FZMZJTMJSA-N -1 1 390.365 3.970 20 30 GHEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)=O)s2)cc1Cl ZINC000916937976 890430541 /nfs/dbraw/zinc/43/05/41/890430541.db2.gz JZBGXKAQKOUWNB-LLVKDONJSA-N -1 1 376.821 3.574 20 30 GHEDMM Cc1ccc(N2CCC(O/C(=N\[O-])c3ccccc3Br)CC2)nc1 ZINC001223885708 892257399 /nfs/dbraw/zinc/25/73/99/892257399.db2.gz HAQZCTXWNJMXSJ-UZYVYHOESA-N -1 1 390.281 3.974 20 30 GHEDMM CC(C)(C)NS(=O)(=O)c1ccccc1NN=Cc1cccc([O-])c1Cl ZINC000814813524 893200213 /nfs/dbraw/zinc/20/02/13/893200213.db2.gz QYIPXBDUSVLZKY-UHFFFAOYSA-N -1 1 381.885 3.568 20 30 GHEDMM CC(=N[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c2ccccc12 ZINC000814865755 893245508 /nfs/dbraw/zinc/24/55/08/893245508.db2.gz YECAIALCDBJPIF-UHFFFAOYSA-N -1 1 387.392 3.590 20 30 GHEDMM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001135290237 894320673 /nfs/dbraw/zinc/32/06/73/894320673.db2.gz VJBOGDPDHICVLJ-MLGOLLRUSA-N -1 1 389.864 3.547 20 30 GHEDMM C=CCn1c(-c2sc(NC(=O)CC[C@H]3CCCCO3)nc2C)n[n-]c1=S ZINC000110814266 898761659 /nfs/dbraw/zinc/76/16/59/898761659.db2.gz KHWKEFVOJQLFSE-GFCCVEGCSA-N -1 1 393.538 3.846 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000332526160 899738248 /nfs/dbraw/zinc/73/82/48/899738248.db2.gz CIRSWKUPHRXBPI-INIZCTEOSA-N -1 1 397.500 3.682 20 30 GHEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)cc1C ZINC000571349220 899837871 /nfs/dbraw/zinc/83/78/71/899837871.db2.gz HLGZVLJQZUCAAW-UHFFFAOYSA-N -1 1 396.827 3.637 20 30 GHEDMM COc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)sc1Br ZINC000136590377 900728839 /nfs/dbraw/zinc/72/88/39/900728839.db2.gz PVKFRJSTCJIGRH-NSHDSACASA-N -1 1 393.262 3.789 20 30 GHEDMM N#CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)F)C3)cc1 ZINC000886403626 900982148 /nfs/dbraw/zinc/98/21/48/900982148.db2.gz KALLNYQSHVKVLM-UHFFFAOYSA-N -1 1 391.443 3.524 20 30 GHEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1C ZINC000844660769 901124389 /nfs/dbraw/zinc/12/43/89/901124389.db2.gz BOVZHOZGFUDJHE-UHFFFAOYSA-N -1 1 387.461 3.775 20 30 GHEDMM N#CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CCCC1 ZINC000094162363 901585943 /nfs/dbraw/zinc/58/59/43/901585943.db2.gz KUAUOGVCJFCNHS-UHFFFAOYSA-N -1 1 399.397 3.831 20 30 GHEDMM N#CC(C([O-])=C1COc2ccc(Cl)cc2C1)=C(O)C1(c2ccccc2)CC1 ZINC000845840183 902456427 /nfs/dbraw/zinc/45/64/27/902456427.db2.gz LDJNYXPZIOFCSJ-MAUKXSAKSA-N -1 1 379.843 3.901 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N2Cc3cccc(C#N)c3C2)c([O-])c1 ZINC000846620893 903099475 /nfs/dbraw/zinc/09/94/75/903099475.db2.gz MNZKDVNUYBNGOA-UHFFFAOYSA-N -1 1 379.416 3.767 20 30 GHEDMM C=CCOc1ccc(C(=O)Nc2cc(OC)cc(Br)c2[O-])cc1 ZINC001148463312 904077906 /nfs/dbraw/zinc/07/79/06/904077906.db2.gz DWIPRQNDDBJKLM-UHFFFAOYSA-N -1 1 378.222 3.980 20 30 GHEDMM C=CCN1C(=O)CC[C@@]12CCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC001148797910 904212280 /nfs/dbraw/zinc/21/22/80/904212280.db2.gz JKISGAYKDGHBRK-LJQANCHMSA-N -1 1 396.409 3.584 20 30 GHEDMM CC(C)C(=O)N(C)Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190992170 906507961 /nfs/dbraw/zinc/50/79/61/906507961.db2.gz CYOCXNASJJVVSU-SFHVURJKSA-N -1 1 386.455 3.734 20 30 GHEDMM CC(C)C(=O)N(C)Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190992192 906508288 /nfs/dbraw/zinc/50/82/88/906508288.db2.gz CYOCXNASJJVVSU-GOSISDBHSA-N -1 1 386.455 3.734 20 30 GHEDMM C=C(CC)COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000773477591 907449405 /nfs/dbraw/zinc/44/94/05/907449405.db2.gz RDZOEFGYKPXSJD-UHFFFAOYSA-N -1 1 377.437 3.678 20 30 GHEDMM Cn1cc2ccc(Nc3[nH]c(=S)[n-]c(=O)c3N=Cc3ccccc3)cc2n1 ZINC001175610661 907666508 /nfs/dbraw/zinc/66/65/08/907666508.db2.gz GHVNEWQSUPTSQG-KEBDBYFISA-N -1 1 376.445 3.852 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C#N)C3CCCC3)cc2)cc1 ZINC001175979328 907849477 /nfs/dbraw/zinc/84/94/77/907849477.db2.gz GSRQZUWPQOIPAH-HXUWFJFHSA-N -1 1 397.500 3.608 20 30 GHEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000193390975 908324115 /nfs/dbraw/zinc/32/41/15/908324115.db2.gz QJXPWAOYLMPEGR-CYBMUJFWSA-N -1 1 378.171 3.863 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(Cl)c1 ZINC000795339734 909981558 /nfs/dbraw/zinc/98/15/58/909981558.db2.gz MPNDUYBTLXDICR-UHFFFAOYSA-N -1 1 390.179 3.713 20 30 GHEDMM C=CCOCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000795405083 910230549 /nfs/dbraw/zinc/23/05/49/910230549.db2.gz IIACLXNRDOJDKX-UHFFFAOYSA-N -1 1 389.473 3.545 20 30 GHEDMM CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)cc1[O-] ZINC001181187519 910598866 /nfs/dbraw/zinc/59/88/66/910598866.db2.gz RUGKQCHBPWDOTF-KRWDZBQOSA-N -1 1 395.459 3.586 20 30 GHEDMM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 ZINC001187466574 915279429 /nfs/dbraw/zinc/27/94/29/915279429.db2.gz ZWPIEYAKTJCECF-UHFFFAOYSA-N -1 1 390.436 3.758 20 30 GHEDMM CCCCCCCCS(=O)(=O)[N-]c1cn2cc(Br)ncc2n1 ZINC001187994997 915672521 /nfs/dbraw/zinc/67/25/21/915672521.db2.gz XWMUYKZDBMOZJB-UHFFFAOYSA-N -1 1 389.319 3.594 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(Oc3cccnc3)cc2)cc(F)c1F ZINC001188893872 916282367 /nfs/dbraw/zinc/28/23/67/916282367.db2.gz IWHLKHBBPKLOKL-UHFFFAOYSA-N -1 1 387.367 3.825 20 30 GHEDMM CCOc1cc(F)c(C(=O)[N-]c2c(C#N)cnnc2-c2ccccc2)c(F)c1 ZINC001190585971 917432402 /nfs/dbraw/zinc/43/24/02/917432402.db2.gz FSLJCHMILGLLRY-UHFFFAOYSA-N -1 1 380.354 3.944 20 30 GHEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2F)c1 ZINC001190650901 917481852 /nfs/dbraw/zinc/48/18/52/917481852.db2.gz NYPMTGSVLNWGFB-UHFFFAOYSA-N -1 1 378.278 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1 392.436 3.797 20 30 GHEDMM N#Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC001259370413 1045105736 /nfs/dbraw/zinc/10/57/36/1045105736.db2.gz ONTUXAJIZSZVIG-UHFFFAOYSA-N -1 1 392.362 3.564 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)ccc1F ZINC001259417094 1045136592 /nfs/dbraw/zinc/13/65/92/1045136592.db2.gz GKKVHKWWOLLXQW-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM Cc1c(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)ccc1Br ZINC001259417423 1045136654 /nfs/dbraw/zinc/13/66/54/1045136654.db2.gz RGQDCRHIDAEYHH-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(OC(F)(F)F)c2)ccc1F ZINC001259417946 1045138270 /nfs/dbraw/zinc/13/82/70/1045138270.db2.gz XATBBPGLXSBREL-UHFFFAOYSA-N -1 1 378.278 3.536 20 30 GHEDMM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1F ZINC001260378957 1045482466 /nfs/dbraw/zinc/48/24/66/1045482466.db2.gz UROSHTOOTYTYJS-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM C#C[C@](C)(CC)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000384200629 1047167300 /nfs/dbraw/zinc/16/73/00/1047167300.db2.gz LLDOMUVYZZQMBE-GFCCVEGCSA-N -1 1 385.110 3.836 20 30 GHEDMM C=CC[C@H]1CCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC001304671040 1047744671 /nfs/dbraw/zinc/74/46/71/1047744671.db2.gz GFCLYHKYNKKZEI-IBGZPJMESA-N -1 1 384.501 3.895 20 30 GHEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC001290546209 1049875606 /nfs/dbraw/zinc/87/56/06/1049875606.db2.gz XQRXMKYCPZSYTH-UHFFFAOYSA-N -1 1 379.338 3.971 20 30 GHEDMM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c(C)n1CC(F)(F)F ZINC001342522519 1053215399 /nfs/dbraw/zinc/21/53/99/1053215399.db2.gz WKRWCPDEXUMXSQ-AWEZNQCLSA-N -1 1 387.365 3.683 20 30 GHEDMM C=C(C)Cn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(CC)CC(C)C ZINC001342792530 1053358840 /nfs/dbraw/zinc/35/88/40/1053358840.db2.gz WBAAHHRENKUJTR-UHFFFAOYSA-N -1 1 393.495 3.561 20 30 GHEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC(SC)CC1 ZINC001342949572 1053452844 /nfs/dbraw/zinc/45/28/44/1053452844.db2.gz CNNJHIVJBXABNS-UHFFFAOYSA-N -1 1 379.917 3.607 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)C(F)(F)F)cc2)c1 ZINC001319871092 1055512196 /nfs/dbraw/zinc/51/21/96/1055512196.db2.gz TYHYYFGMJACXEV-UHFFFAOYSA-N -1 1 392.305 3.893 20 30 GHEDMM CC[C@@H](C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC001440384758 1058511223 /nfs/dbraw/zinc/51/12/23/1058511223.db2.gz KRSXPSIWMYVWSB-ZDUSSCGKSA-N -1 1 391.880 3.938 20 30 GHEDMM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC001451038269 1060729387 /nfs/dbraw/zinc/72/93/87/1060729387.db2.gz MHKSELRGISDVFE-MRXNPFEDSA-N -1 1 395.850 3.864 20 30 GHEDMM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC001457932103 1063448982 /nfs/dbraw/zinc/44/89/82/1063448982.db2.gz GALCBRMTIINZOB-UHFFFAOYSA-N -1 1 398.072 3.717 20 30 GHEDMM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1c([O-])cnc2c(F)cccc21 ZINC001465733899 1065817974 /nfs/dbraw/zinc/81/79/74/1065817974.db2.gz GXUNVMRSUINDQR-UHFFFAOYSA-N -1 1 388.320 3.880 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCc3c(Cl)ccc(Br)c3C2)cc1[O-] ZINC001472165772 1073354008 /nfs/dbraw/zinc/35/40/08/1073354008.db2.gz GLLBLQNFKDKCPX-UHFFFAOYSA-N -1 1 391.652 3.878 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(C#N)CCCC3)cc2)c1C ZINC000067508766 211011507 /nfs/dbraw/zinc/01/15/07/211011507.db2.gz IDKVWSIFTQZJMK-UHFFFAOYSA-N -1 1 397.500 3.670 20 30 GHEDMM C[C@@H](CC#N)N(C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735963343 599199002 /nfs/dbraw/zinc/19/90/02/599199002.db2.gz DQNBFVKEBCKBIL-LBPRGKRZSA-N -1 1 396.838 3.687 20 30 GHEDMM N#CCCCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737687314 598412629 /nfs/dbraw/zinc/41/26/29/598412629.db2.gz HWXFYUIBKFFGPT-UHFFFAOYSA-N -1 1 381.367 3.649 20 30 GHEDMM N#CCCCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737687314 598412630 /nfs/dbraw/zinc/41/26/30/598412630.db2.gz HWXFYUIBKFFGPT-UHFFFAOYSA-N -1 1 381.367 3.649 20 30 GHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(F)cc(C(F)(F)F)c2)o1 ZINC000820198465 607464391 /nfs/dbraw/zinc/46/43/91/607464391.db2.gz WRVYNNQNOAVURG-UHFFFAOYSA-N -1 1 383.309 3.582 20 30 GHEDMM N#Cc1cccc([C@H](NCc2ccc(Oc3ccc(F)cc3)nc2)C(=O)[O-])c1 ZINC000833075667 601302577 /nfs/dbraw/zinc/30/25/77/601302577.db2.gz MZSTVYRPVHKUFP-FQEVSTJZSA-N -1 1 377.375 3.800 20 30 GHEDMM COc1cccc(Oc2ncccc2CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832573197 601306074 /nfs/dbraw/zinc/30/60/74/601306074.db2.gz SFFVNGDOLFYAPJ-FQEVSTJZSA-N -1 1 389.411 3.670 20 30 GHEDMM CN(Cc1cc(Br)ccc1F)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830806272 601312523 /nfs/dbraw/zinc/31/25/23/601312523.db2.gz JZTNPWBQIQGSMR-INIZCTEOSA-N -1 1 377.213 3.718 20 30 GHEDMM O=c1c(-c2nn[n-]n2)cn(CC#Cc2ccccc2Cl)c2ccc(Cl)cc12 ZINC000826501558 607546436 /nfs/dbraw/zinc/54/64/36/607546436.db2.gz VVBXNEIRAXGCTF-UHFFFAOYSA-N -1 1 396.237 3.540 20 30 GHEDMM O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399965 608092232 /nfs/dbraw/zinc/09/22/32/608092232.db2.gz LKSSTTLFRJHHMA-ALCCZGGFSA-N -1 1 393.384 3.993 20 30 GHEDMM O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399965 608092233 /nfs/dbraw/zinc/09/22/33/608092233.db2.gz LKSSTTLFRJHHMA-ALCCZGGFSA-N -1 1 393.384 3.993 20 30 GHEDMM O=C(C=Cc1cnn(Cc2ccccc2Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403568 608093359 /nfs/dbraw/zinc/09/33/59/608093359.db2.gz VZSFZFQKTODHLI-AATRIKPKSA-N -1 1 396.863 3.723 20 30 GHEDMM O=C(C=Cc1cnn(Cc2ccccc2Cl)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403568 608093360 /nfs/dbraw/zinc/09/33/60/608093360.db2.gz VZSFZFQKTODHLI-AATRIKPKSA-N -1 1 396.863 3.723 20 30 GHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1Br ZINC000826266677 608093717 /nfs/dbraw/zinc/09/37/17/608093717.db2.gz XPOMBBGAZFIRJC-HWKANZROSA-N -1 1 375.251 3.895 20 30 GHEDMM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1Br ZINC000826266677 608093718 /nfs/dbraw/zinc/09/37/18/608093718.db2.gz XPOMBBGAZFIRJC-HWKANZROSA-N -1 1 375.251 3.895 20 30 GHEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)nn21 ZINC000070733939 834418316 /nfs/dbraw/zinc/41/83/16/834418316.db2.gz ZQJNAQLQBYTLNF-GFCCVEGCSA-N -1 1 394.504 3.769 20 30 GHEDMM N#CCCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000431616581 835230161 /nfs/dbraw/zinc/23/01/61/835230161.db2.gz HRUGGGBNFOLVBK-HNNXBMFYSA-N -1 1 393.852 3.962 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1[O-] ZINC000188078595 835361282 /nfs/dbraw/zinc/36/12/82/835361282.db2.gz GVZLFFCTXFCZCQ-QGZVFWFLSA-N -1 1 377.227 3.784 20 30 GHEDMM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1nc(C2CC2)cs1 ZINC000647379844 835530530 /nfs/dbraw/zinc/53/05/30/835530530.db2.gz QWOQEQJCUTYKNR-LLVKDONJSA-N -1 1 387.262 3.921 20 30 GHEDMM C=CCCO[C@@H](C)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000177044986 835588543 /nfs/dbraw/zinc/58/85/43/835588543.db2.gz MXFLDXVZWAHYNK-ZDUSSCGKSA-N -1 1 384.457 3.676 20 30 GHEDMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCC#N)cc2)c(C)c1C ZINC000497543951 835853020 /nfs/dbraw/zinc/85/30/20/835853020.db2.gz STZHCXIIDYTXPM-UHFFFAOYSA-N -1 1 399.516 3.673 20 30 GHEDMM Cc1cccc(CCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000047362243 844203401 /nfs/dbraw/zinc/20/34/01/844203401.db2.gz RMCVHCALMAPESF-INIZCTEOSA-N -1 1 391.496 3.981 20 30 GHEDMM CCCc1nc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)co1 ZINC000549114026 838560234 /nfs/dbraw/zinc/56/02/34/838560234.db2.gz PGKYFGLVTVQFEM-NSHDSACASA-N -1 1 382.445 3.706 20 30 GHEDMM N#C[C@H](C(=O)Nc1ccccc1Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155663869 839253415 /nfs/dbraw/zinc/25/34/15/839253415.db2.gz KRLFRHMUMKAYTD-NSHDSACASA-N -1 1 398.875 3.763 20 30 GHEDMM N#C[C@@H](C(=O)c1coc(C2CC2)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000683901764 839367009 /nfs/dbraw/zinc/36/70/09/839367009.db2.gz AGPVLLOTQXMDKD-NSHDSACASA-N -1 1 380.429 3.631 20 30 GHEDMM C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000651545241 840666056 /nfs/dbraw/zinc/66/60/56/840666056.db2.gz QWPWDQDGOQGCQU-LJQANCHMSA-N -1 1 396.491 3.511 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(ccn3CCC)c2)c1 ZINC000065069825 843413899 /nfs/dbraw/zinc/41/38/99/843413899.db2.gz YBFZQJCNKYSNNX-UHFFFAOYSA-N -1 1 397.500 3.768 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)cc1F ZINC000555633263 861449016 /nfs/dbraw/zinc/44/90/16/861449016.db2.gz WLWVRPHUZPNIIU-UHFFFAOYSA-N -1 1 392.415 3.813 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1Br ZINC000432771384 843765032 /nfs/dbraw/zinc/76/50/32/843765032.db2.gz KPUXLNDYRWLTSV-UHFFFAOYSA-N -1 1 394.275 3.731 20 30 GHEDMM O=c1nc(NN=Cc2c3ccccc3c(Cl)c3ccccc23)nc2[nH][n-]cc1-2 ZINC000731154686 861489416 /nfs/dbraw/zinc/48/94/16/861489416.db2.gz YEIWCCCQENPEHL-UHFFFAOYSA-N -1 1 388.818 3.838 20 30 GHEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2CC#N)c(=O)[n-]1 ZINC000410962229 844780264 /nfs/dbraw/zinc/78/02/64/844780264.db2.gz CEAPQNRQRZSPHI-UHFFFAOYSA-N -1 1 376.869 3.503 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)nc2)cc1C ZINC000603978869 861530425 /nfs/dbraw/zinc/53/04/25/861530425.db2.gz GRRVIYWOJNMLDE-UHFFFAOYSA-N -1 1 395.440 3.863 20 30 GHEDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000548539401 845413647 /nfs/dbraw/zinc/41/36/47/845413647.db2.gz YEOAJYDUGCJKNQ-UHFFFAOYSA-N -1 1 385.228 3.673 20 30 GHEDMM CC1(C)CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])[C@H]1C#N ZINC000277558558 846949025 /nfs/dbraw/zinc/94/90/25/846949025.db2.gz PCFZYKRIWRKKBK-AWEZNQCLSA-N -1 1 399.369 3.657 20 30 GHEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1 ZINC000116802689 848047688 /nfs/dbraw/zinc/04/76/88/848047688.db2.gz YPAGGOOUACTLCA-KKSFZXQISA-N -1 1 397.500 3.690 20 30 GHEDMM C=C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)CC1 ZINC000519083359 850608624 /nfs/dbraw/zinc/60/86/24/850608624.db2.gz HGBMCKRTTCCHKT-UHFFFAOYSA-N -1 1 390.892 3.933 20 30 GHEDMM CCCc1c(NC(=O)c2ccc(OC)cc2[O-])cnn1-c1cccc(C#N)c1 ZINC000440065363 850755497 /nfs/dbraw/zinc/75/54/97/850755497.db2.gz AOLDZKHSADJJCD-UHFFFAOYSA-N -1 1 376.416 3.663 20 30 GHEDMM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000126431910 850799164 /nfs/dbraw/zinc/79/91/64/850799164.db2.gz QNACZABZEKMLRF-UHFFFAOYSA-N -1 1 392.305 3.665 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)ccc1C#N ZINC000435720581 850805411 /nfs/dbraw/zinc/80/54/11/850805411.db2.gz YWARAHDHJAIJNQ-UHFFFAOYSA-N -1 1 378.413 3.804 20 30 GHEDMM CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n1 ZINC000435723783 850808110 /nfs/dbraw/zinc/80/81/10/850808110.db2.gz URQOVVJTVLPALD-UHFFFAOYSA-N -1 1 382.445 3.588 20 30 GHEDMM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc2ccccc2n1 ZINC000604476535 862220688 /nfs/dbraw/zinc/22/06/88/862220688.db2.gz NGOFSXVBQZUGGC-KRWDZBQOSA-N -1 1 383.367 3.819 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1Cl ZINC000515630587 851269518 /nfs/dbraw/zinc/26/95/18/851269518.db2.gz AGBGPLLILUNOPE-INIZCTEOSA-N -1 1 392.864 3.570 20 30 GHEDMM Cc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)n1 ZINC000515632482 851273184 /nfs/dbraw/zinc/27/31/84/851273184.db2.gz YRJKNGGGDBZUBS-UHFFFAOYSA-N -1 1 388.836 3.679 20 30 GHEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000436479163 851948533 /nfs/dbraw/zinc/94/85/33/851948533.db2.gz UELZSFQRIAAWDH-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000517434463 851957327 /nfs/dbraw/zinc/95/73/27/851957327.db2.gz RTKSXHJCDMZKEZ-JTQLQIEISA-N -1 1 396.515 3.807 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(C)c3ncccc23)c1 ZINC000437302159 852979645 /nfs/dbraw/zinc/97/96/45/852979645.db2.gz GVXANLJKMSZEIC-UHFFFAOYSA-N -1 1 395.484 3.568 20 30 GHEDMM Cc1occc1C(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1F ZINC000055592768 854014425 /nfs/dbraw/zinc/01/44/25/854014425.db2.gz GQNHOIRGRVRYHT-UHFFFAOYSA-N -1 1 399.403 3.652 20 30 GHEDMM CCN(C[C@@H](C)C#N)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000056409719 854708099 /nfs/dbraw/zinc/70/80/99/854708099.db2.gz SXETVTQWUWNSHJ-INIZCTEOSA-N -1 1 399.516 3.726 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1 ZINC000589207407 854750095 /nfs/dbraw/zinc/75/00/95/854750095.db2.gz VGGHYVQQNNYNTQ-INIZCTEOSA-N -1 1 389.480 3.923 20 30 GHEDMM C=C(C)COc1cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)ccc1OC ZINC000417697432 855946365 /nfs/dbraw/zinc/94/63/65/855946365.db2.gz DXDJSQIULYUKOK-UHFFFAOYSA-N -1 1 382.460 3.911 20 30 GHEDMM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2nnc(C(F)F)s2)o1 ZINC000108998699 856088237 /nfs/dbraw/zinc/08/82/37/856088237.db2.gz RMDQCVAOPZMDSX-UHFFFAOYSA-N -1 1 376.344 3.772 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OCc2ccccn2)c1 ZINC000172590203 856490298 /nfs/dbraw/zinc/49/02/98/856490298.db2.gz FTOYLXRAPLFRPD-UHFFFAOYSA-N -1 1 379.441 3.642 20 30 GHEDMM C#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)c1 ZINC000733287613 862844211 /nfs/dbraw/zinc/84/42/11/862844211.db2.gz SCDVKKCMHXARTF-UHFFFAOYSA-N -1 1 384.501 3.583 20 30 GHEDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1 ZINC000508086034 856880884 /nfs/dbraw/zinc/88/08/84/856880884.db2.gz QZKSXVMJUCCNRZ-UHFFFAOYSA-N -1 1 395.278 3.909 20 30 GHEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1nc2cc(F)ccc2s1 ZINC000592973583 857144113 /nfs/dbraw/zinc/14/41/13/857144113.db2.gz HYGYNDBPEXFOOZ-LLVKDONJSA-N -1 1 383.429 3.970 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(n3)CCCC4)c2)c1 ZINC000108639486 857342984 /nfs/dbraw/zinc/34/29/84/857342984.db2.gz MDDQDCVEUPDLOU-UHFFFAOYSA-N -1 1 378.457 3.559 20 30 GHEDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)cc21 ZINC000593209696 857399470 /nfs/dbraw/zinc/39/94/70/857399470.db2.gz HBNMISVHGAZFDB-UHFFFAOYSA-N -1 1 397.500 3.890 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Br)ccc2C)n1 ZINC000442826491 858150102 /nfs/dbraw/zinc/15/01/02/858150102.db2.gz ONOQQZGAILPSJE-LBPRGKRZSA-N -1 1 393.262 3.881 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(F)c(Br)c2)n1 ZINC000442812161 858154231 /nfs/dbraw/zinc/15/42/31/858154231.db2.gz QFCDVFZJORVRBQ-VIFPVBQESA-N -1 1 397.225 3.711 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C3(C#N)CCC3)c2)c1 ZINC000171025391 862995217 /nfs/dbraw/zinc/99/52/17/862995217.db2.gz DNDPYRMARZMBEM-UHFFFAOYSA-N -1 1 397.500 3.623 20 30 GHEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594773535 858277657 /nfs/dbraw/zinc/27/76/57/858277657.db2.gz RPPDMGNAPGJNFQ-UHFFFAOYSA-N -1 1 386.098 3.584 20 30 GHEDMM C=C1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)CC1 ZINC000521725206 858275508 /nfs/dbraw/zinc/27/55/08/858275508.db2.gz BJMGQSLNRJVZRY-UHFFFAOYSA-N -1 1 390.892 3.933 20 30 GHEDMM COc1cc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc(Cl)c1[O-] ZINC000442965751 858275543 /nfs/dbraw/zinc/27/55/43/858275543.db2.gz LFRNJUNILLRBTB-UHFFFAOYSA-N -1 1 386.835 3.609 20 30 GHEDMM C=CCC[C@@H](C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)c1ccccc1 ZINC000188975892 881363121 /nfs/dbraw/zinc/36/31/21/881363121.db2.gz VCJUBGSLOSOOCG-QGZVFWFLSA-N -1 1 388.489 3.755 20 30 GHEDMM Cc1c(-c2ccccc2)nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)[n-]c1=O ZINC000185057337 859095123 /nfs/dbraw/zinc/09/51/23/859095123.db2.gz NESFKDUVSDKEGE-AWEZNQCLSA-N -1 1 390.468 3.736 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)ccc1C#N ZINC000509377735 859225105 /nfs/dbraw/zinc/22/51/05/859225105.db2.gz HNNZPISAJYXNQI-UHFFFAOYSA-N -1 1 377.469 3.962 20 30 GHEDMM Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000509392776 859293097 /nfs/dbraw/zinc/29/30/97/859293097.db2.gz SNINNRXOEQOKLL-UHFFFAOYSA-N -1 1 377.469 3.962 20 30 GHEDMM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1nc(C(F)(F)F)cs1 ZINC000593554767 860338972 /nfs/dbraw/zinc/33/89/72/860338972.db2.gz BOBZINOTHIZCOZ-SSDOTTSWSA-N -1 1 381.426 3.525 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)O[C@H](C#N)C(C)(C)C)c2)c1 ZINC000765635280 860371239 /nfs/dbraw/zinc/37/12/39/860371239.db2.gz UXTLBLUPELUCCM-GOSISDBHSA-N -1 1 386.473 3.891 20 30 GHEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(-c2cccs2)n1 ZINC000129940222 860444116 /nfs/dbraw/zinc/44/41/16/860444116.db2.gz PLWOWZCMJFVLGE-LLVKDONJSA-N -1 1 383.454 3.841 20 30 GHEDMM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000041557412 860800611 /nfs/dbraw/zinc/80/06/11/860800611.db2.gz QHUKQLSZTWFEIA-PWFNWSNSSA-N -1 1 387.411 3.800 20 30 GHEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(C#N)cc2F)cc1 ZINC000170937673 861023559 /nfs/dbraw/zinc/02/35/59/861023559.db2.gz RDRYYIMEWILIIE-UHFFFAOYSA-N -1 1 395.463 3.633 20 30 GHEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(C(F)(F)F)c3)ccc2O1 ZINC000480077178 863975851 /nfs/dbraw/zinc/97/58/51/863975851.db2.gz JUKNRTYIFVJUCP-JTQLQIEISA-N -1 1 382.363 3.701 20 30 GHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCC)c2)c1 ZINC000608955752 865880476 /nfs/dbraw/zinc/88/04/76/865880476.db2.gz IEWHHVRYBHDPEC-UHFFFAOYSA-N -1 1 375.446 3.619 20 30 GHEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C1(C#N)CCCC1 ZINC000609026145 865904480 /nfs/dbraw/zinc/90/44/80/865904480.db2.gz MPVFMABWHGVEBI-UHFFFAOYSA-N -1 1 397.500 3.530 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(C#N)cc2F)c([O-])c1 ZINC000740925155 866109842 /nfs/dbraw/zinc/10/98/42/866109842.db2.gz JADMHQRMLPIPAN-UHFFFAOYSA-N -1 1 385.395 3.680 20 30 GHEDMM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000102241131 881994292 /nfs/dbraw/zinc/99/42/92/881994292.db2.gz OXKYEISMXKOGKJ-UHFFFAOYSA-N -1 1 376.344 3.772 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc2)c1C ZINC000122104464 882418383 /nfs/dbraw/zinc/41/83/83/882418383.db2.gz GUVBSKBVQIOLHO-LJQANCHMSA-N -1 1 399.516 3.772 20 30 GHEDMM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F ZINC001192923607 870788850 /nfs/dbraw/zinc/78/88/50/870788850.db2.gz YAJUUCRPTUNYKR-UHFFFAOYSA-N -1 1 377.865 3.679 20 30 GHEDMM N#Cc1c([N-]C(=O)c2noc3c2COCC3)sc2c1-c1ccccc1CC2 ZINC000857849321 882587480 /nfs/dbraw/zinc/58/74/80/882587480.db2.gz JBKNREHVQLQNIO-UHFFFAOYSA-N -1 1 377.425 3.698 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)ccc1C(F)(F)F ZINC000443412611 872240402 /nfs/dbraw/zinc/24/04/02/872240402.db2.gz XAXXGBHHDGSVKY-UHFFFAOYSA-N -1 1 380.269 3.795 20 30 GHEDMM COc1cccc(/C=N/Cc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1O ZINC000102200263 872748258 /nfs/dbraw/zinc/74/82/58/872748258.db2.gz JKQXMNIBSBRDKE-PXLXIMEGSA-N -1 1 396.468 3.821 20 30 GHEDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1 ZINC000022931454 872941220 /nfs/dbraw/zinc/94/12/20/872941220.db2.gz FKRPEIQQVGJRSU-ZDUSSCGKSA-N -1 1 388.468 3.701 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cncc(C(F)(F)F)n3)c2)c1 ZINC001196309277 873003836 /nfs/dbraw/zinc/00/38/36/873003836.db2.gz SZIRHMGROWDNNW-UHFFFAOYSA-N -1 1 384.317 3.992 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3cccn(CC4CC4)c3=O)c2)c1 ZINC001196330516 873036165 /nfs/dbraw/zinc/03/61/65/873036165.db2.gz SMMUSEDSMFOOSD-UHFFFAOYSA-N -1 1 385.423 3.755 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N[C@H]3CCc4ccc(O)cc4C3)c2)c1 ZINC001196330209 873036354 /nfs/dbraw/zinc/03/63/54/873036354.db2.gz MUYHIFNUIGNHJS-NRFANRHFSA-N -1 1 384.435 3.924 20 30 GHEDMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)c(CC#N)c1 ZINC001196559378 873211136 /nfs/dbraw/zinc/21/11/36/873211136.db2.gz GHAJQWCDURFFIW-UHFFFAOYSA-N -1 1 383.242 3.764 20 30 GHEDMM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001197319579 873706805 /nfs/dbraw/zinc/70/68/05/873706805.db2.gz CHALPNDFZBKWLZ-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2cccc(Cl)c2Cl)c1 ZINC001197753272 874030018 /nfs/dbraw/zinc/03/00/18/874030018.db2.gz ITFKFPWLQSIZJK-UHFFFAOYSA-N -1 1 399.255 3.594 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCC3(C#N)CC3)ccc2C)cc1 ZINC000775843877 874387898 /nfs/dbraw/zinc/38/78/98/874387898.db2.gz XUVMRXNTNFWCKT-UHFFFAOYSA-N -1 1 384.457 3.565 20 30 GHEDMM CC(=O)c1cccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000542127690 874989558 /nfs/dbraw/zinc/98/95/58/874989558.db2.gz FASQBSCLDFKEQW-HNNXBMFYSA-N -1 1 391.452 3.968 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)c(Br)c2)cc1C#N ZINC001201320138 875631100 /nfs/dbraw/zinc/63/11/00/875631100.db2.gz PSUGHUROTBGHII-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C(F)(F)F)c(F)c2)cc1C#N ZINC001201322092 875632243 /nfs/dbraw/zinc/63/22/43/875632243.db2.gz COQYUWAWYDHQJF-UHFFFAOYSA-N -1 1 376.306 3.965 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2Br)c(F)c1F ZINC001201782366 875879096 /nfs/dbraw/zinc/87/90/96/875879096.db2.gz GCXMNTDUBPLEHA-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM C=CCn1c(Cc2csc(NC(=O)c3cc(F)ccc3C)n2)n[n-]c1=S ZINC000030689067 876726211 /nfs/dbraw/zinc/72/62/11/876726211.db2.gz WQUTWGFGJFQGNH-UHFFFAOYSA-N -1 1 389.481 3.874 20 30 GHEDMM CC[C@@H](CC#N)OC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000787089652 877140574 /nfs/dbraw/zinc/14/05/74/877140574.db2.gz KNOOXAQLXFPGOF-KRWDZBQOSA-N -1 1 386.473 3.953 20 30 GHEDMM CO[C@@H](CS(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000450984495 877151760 /nfs/dbraw/zinc/15/17/60/877151760.db2.gz DWLVNBZOYMZSRX-SJORKVTESA-N -1 1 398.406 3.577 20 30 GHEDMM N#CCc1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c(Cl)c1 ZINC000450997422 877172755 /nfs/dbraw/zinc/17/27/55/877172755.db2.gz IMSJRLRCAJSKGW-AWEZNQCLSA-N -1 1 380.819 3.805 20 30 GHEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121788379 877420568 /nfs/dbraw/zinc/42/05/68/877420568.db2.gz NNLBEAOFSVYJPF-UHFFFAOYSA-N -1 1 394.880 3.566 20 30 GHEDMM N#C[C@H](C(=O)c1ccc(Cl)nc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000788079080 877825643 /nfs/dbraw/zinc/82/56/43/877825643.db2.gz BEUWPJPTESKMDZ-LLVKDONJSA-N -1 1 384.848 3.814 20 30 GHEDMM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000617037311 879335731 /nfs/dbraw/zinc/33/57/31/879335731.db2.gz LJZDOUQDGYLHDO-APWZRJJASA-N -1 1 380.492 3.736 20 30 GHEDMM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000183051234 880053069 /nfs/dbraw/zinc/05/30/69/880053069.db2.gz RJRWKXIFPGUJKU-UHFFFAOYSA-N -1 1 376.453 3.583 20 30 GHEDMM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1nc2cc(Cl)ccc2s1 ZINC000120017716 881285699 /nfs/dbraw/zinc/28/56/99/881285699.db2.gz GVZHYCACDSDOJV-ZDUSSCGKSA-N -1 1 384.848 3.608 20 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853344359 /nfs/dbraw/zinc/34/43/59/853344359.db2.gz LSPWBWUEMWQYCA-UHFFFAOYSA-N -1 1 379.844 3.752 20 30 GHEDMM C#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000156404372 853739242 /nfs/dbraw/zinc/73/92/42/853739242.db2.gz VFUSMSJMQSSEJQ-UHFFFAOYSA-N -1 1 384.501 3.638 20 30 GHEDMM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000330448029 854678916 /nfs/dbraw/zinc/67/89/16/854678916.db2.gz GHKAZPFUJYFWEU-JTQLQIEISA-N -1 1 386.098 3.582 20 30 GHEDMM N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)c1 ZINC000589169083 854713288 /nfs/dbraw/zinc/71/32/88/854713288.db2.gz ZFGQIJOBMXGAHN-UHFFFAOYSA-N -1 1 382.379 3.640 20 30 GHEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)nn1-c1ccc(Cl)cc1Cl ZINC000589196488 854742586 /nfs/dbraw/zinc/74/25/86/854742586.db2.gz IJCCOZDSNBYRQQ-UHFFFAOYSA-N -1 1 387.226 3.739 20 30 GHEDMM N#Cc1cc(F)cc(C2(C(=O)N3CCC(C(=O)c4ccc([O-])cc4)CC3)CC2)c1 ZINC000671774132 854749252 /nfs/dbraw/zinc/74/92/52/854749252.db2.gz QHLLTKISYUWNEA-UHFFFAOYSA-N -1 1 392.430 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N#Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000058949654 857833516 /nfs/dbraw/zinc/83/35/16/857833516.db2.gz FBHCNKWAGKJBLT-UHFFFAOYSA-N -1 1 377.425 3.611 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1C ZINC000114674051 858159126 /nfs/dbraw/zinc/15/91/26/858159126.db2.gz AKVZYRYUYHIVDV-UHFFFAOYSA-N -1 1 384.379 3.917 20 30 GHEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CCC1 ZINC000594783145 858279650 /nfs/dbraw/zinc/27/96/50/858279650.db2.gz GZCUDVGXNQSSMX-UHFFFAOYSA-N -1 1 398.109 3.728 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)cc1Cl ZINC000059773244 858657731 /nfs/dbraw/zinc/65/77/31/858657731.db2.gz QNXVWOYFPBGPNZ-UHFFFAOYSA-N -1 1 376.743 3.911 20 30 GHEDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000544668283 858706161 /nfs/dbraw/zinc/70/61/61/858706161.db2.gz KFIQSOHBRWRHRW-NSHDSACASA-N -1 1 399.232 3.576 20 30 GHEDMM CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000060132605 858895576 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386.473 3.534 20 30 GHEDMM N#Cc1cccc(OC2CCN(C(=O)N=c3[n-]sc4ccccc43)CC2)c1 ZINC000603052806 860444945 /nfs/dbraw/zinc/44/49/45/860444945.db2.gz XGCPWJJYFXJGEJ-UHFFFAOYSA-N -1 1 378.457 3.665 20 30 GHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)OCc3ccccc3)c2)c1 ZINC000729964777 860475982 /nfs/dbraw/zinc/47/59/82/860475982.db2.gz BGEFAUTXZNJPID-UHFFFAOYSA-N -1 1 392.436 3.716 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000156525197 860813317 /nfs/dbraw/zinc/81/33/17/860813317.db2.gz WMEQUHVAIGPANF-UHFFFAOYSA-N -1 1 383.454 3.673 20 30 GHEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000733810034 863175682 /nfs/dbraw/zinc/17/56/82/863175682.db2.gz QLQUEAXBLKLNIG-AWEZNQCLSA-N -1 1 389.249 3.766 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000734233453 864081430 /nfs/dbraw/zinc/08/14/30/864081430.db2.gz JPMDLQURTIOOLF-UHFFFAOYSA-N -1 1 392.484 3.867 20 30 GHEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1C#N ZINC000031906206 881744007 /nfs/dbraw/zinc/74/40/07/881744007.db2.gz UNVNRSZXTQZUNW-UHFFFAOYSA-N -1 1 381.461 3.807 20 30 GHEDMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2)nc1 ZINC000793393776 882169465 /nfs/dbraw/zinc/16/94/65/882169465.db2.gz HUQBFPWACWWREM-UHFFFAOYSA-N -1 1 383.404 3.994 20 30 GHEDMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1 ZINC000744838691 869101914 /nfs/dbraw/zinc/10/19/14/869101914.db2.gz DGEXHRHZQNKQBK-NRFANRHFSA-N -1 1 381.428 3.656 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)cc1[O-] ZINC000443124322 869494802 /nfs/dbraw/zinc/49/48/02/869494802.db2.gz BFSFNEPDQKPARR-UHFFFAOYSA-N -1 1 390.270 3.923 20 30 GHEDMM CCc1cc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)cc(CC)c1C#N ZINC001192273375 870255499 /nfs/dbraw/zinc/25/54/99/870255499.db2.gz NRQAHDUIYHTGPT-UHFFFAOYSA-N -1 1 396.472 3.842 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc2)c1C ZINC000122104212 882418312 /nfs/dbraw/zinc/41/83/12/882418312.db2.gz GUVBSKBVQIOLHO-IBGZPJMESA-N -1 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C=CCC1(C(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)CCC1 ZINC000856171131 881009885 /nfs/dbraw/zinc/00/98/85/881009885.db2.gz RKKSTNLXIHWEQW-IAGOWNOFSA-N -1 1 394.437 3.796 20 30 GHEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nn(-c2ccccc2)c2c1CCC2 ZINC000193264451 883196419 /nfs/dbraw/zinc/19/64/19/883196419.db2.gz ODGMIAYPWFVIEU-KRWDZBQOSA-N -1 1 381.439 3.738 20 30 GHEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000914599240 884304590 /nfs/dbraw/zinc/30/45/90/884304590.db2.gz CIVQSRBEERQKKY-UHFFFAOYSA-N -1 1 375.453 3.816 20 30 GHEDMM C=CCOc1ccc(CC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000648490714 884955765 /nfs/dbraw/zinc/95/57/65/884955765.db2.gz ZZFNFJUCJBCTBH-UHFFFAOYSA-N -1 1 379.456 3.621 20 30 GHEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2c[nH]c3cccc(F)c23)C1=O ZINC000762164089 885526751 /nfs/dbraw/zinc/52/67/51/885526751.db2.gz CCEDHQQFKFHJFJ-FQEVSTJZSA-N -1 1 388.443 3.623 20 30 GHEDMM CC(=NN[C@H]1CCSC1)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000808003463 885922197 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856543327 /nfs/dbraw/zinc/54/33/27/856543327.db2.gz ARIVWOLTBFSJOC-UHFFFAOYSA-N -1 1 376.250 3.992 20 30 GHEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(Br)cc1C ZINC000507922899 856694555 /nfs/dbraw/zinc/69/45/55/856694555.db2.gz RPXWDYYDEWMLOP-UHFFFAOYSA-N -1 1 394.294 3.780 20 30 GHEDMM CN(Cc1cc(Br)ccc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000427803115 856744632 /nfs/dbraw/zinc/74/46/32/856744632.db2.gz LAQDPQYFXGTHDV-UHFFFAOYSA-N -1 1 379.641 3.952 20 30 GHEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc3c(s2)CCCC3)C1=O ZINC000906487433 857117516 /nfs/dbraw/zinc/11/75/16/857117516.db2.gz YEOAGTVZHSAHFB-FQEVSTJZSA-N -1 1 391.537 3.943 20 30 GHEDMM N#CC(=C([O-])c1cccc(CN2CCOCC2)c1)c1nc2ccccc2s1 ZINC000672579955 857496461 /nfs/dbraw/zinc/49/64/61/857496461.db2.gz DOHVRBGXECDFHF-QGZVFWFLSA-N -1 1 377.469 3.619 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(OCc2cscn2)c1 ZINC000114673931 858159314 /nfs/dbraw/zinc/15/93/14/858159314.db2.gz FJNGCYOBHDTZDF-UHFFFAOYSA-N -1 1 385.470 3.703 20 30 GHEDMM CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443120370 858386666 /nfs/dbraw/zinc/38/66/66/858386666.db2.gz VLOWXQWHKNQJPF-DIFFPNOSSA-N -1 1 389.249 3.532 20 30 GHEDMM C=CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000116860260 859194768 /nfs/dbraw/zinc/19/47/68/859194768.db2.gz CGJPFCRPSPIUHU-OAHLLOKOSA-N -1 1 388.489 3.581 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(C)(C)CC#N)cc2)cc1 ZINC000764834738 859634508 /nfs/dbraw/zinc/63/45/08/859634508.db2.gz REKGEIQCBJWFNU-UHFFFAOYSA-N -1 1 386.473 3.893 20 30 GHEDMM CC#CC[C@@H](NCc1c(F)ccc(C(F)(F)F)c1Br)C(=O)[O-] ZINC000904057015 860076635 /nfs/dbraw/zinc/07/66/35/860076635.db2.gz AOQBUHNRWUUQPS-LLVKDONJSA-N -1 1 382.151 3.563 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N([C@@H](C)C#N)C3CC3)c2)c1 ZINC000598123013 860079120 /nfs/dbraw/zinc/07/91/20/860079120.db2.gz IMTVFXDEZJTUKF-INIZCTEOSA-N -1 1 397.500 3.621 20 30 GHEDMM N#CC(=C([O-])c1cccc(N2CCOC2=O)c1)c1nc(-c2ccncc2)cs1 ZINC000114619145 881758770 /nfs/dbraw/zinc/75/87/70/881758770.db2.gz DTTLYDDTBUZXOR-MRXNPFEDSA-N -1 1 390.424 3.652 20 30 GHEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000622179838 864821986 /nfs/dbraw/zinc/82/19/86/864821986.db2.gz PYGKAFCMUPDGAE-LVCYWYKZSA-N -1 1 390.483 3.860 20 30 GHEDMM C=C(Cl)CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000736245912 865157514 /nfs/dbraw/zinc/15/75/14/865157514.db2.gz GALPQMZRQGSNJV-UHFFFAOYSA-N -1 1 399.299 3.932 20 30 GHEDMM C=C(Cl)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000736246664 865163918 /nfs/dbraw/zinc/16/39/18/865163918.db2.gz FIKHACBHOHCTBU-UHFFFAOYSA-N -1 1 378.881 3.587 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C#N)CC(C)C)cc2)c1C ZINC000608823984 865756980 /nfs/dbraw/zinc/75/69/80/865756980.db2.gz UKQOCCBQPOCRRS-SFHVURJKSA-N -1 1 399.516 3.772 20 30 GHEDMM C=CCCC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000175843557 866043846 /nfs/dbraw/zinc/04/38/46/866043846.db2.gz AQSSXZSMHAFQQT-UHFFFAOYSA-N -1 1 380.853 3.751 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)CCC#N)c2)c1 ZINC000553752774 868130169 /nfs/dbraw/zinc/13/01/69/868130169.db2.gz VVCUBHZJFFXJGE-UHFFFAOYSA-N -1 1 399.516 3.856 20 30 GHEDMM N#C[C@@H](C(=O)[C@@H]1Cc2ccccc21)c1nc(=O)c2c([n-]1)sc1c2CCCC1 ZINC000744016997 868530935 /nfs/dbraw/zinc/53/09/35/868530935.db2.gz XDNAYVYWZRBKKG-CABCVRRESA-N -1 1 375.453 3.792 20 30 GHEDMM C=CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000744472698 868870004 /nfs/dbraw/zinc/87/00/04/868870004.db2.gz HXQMBZORGOSERG-UHFFFAOYSA-N -1 1 385.363 3.849 20 30 GHEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)c3cccc(c23)C1=O ZINC000152771822 868995874 /nfs/dbraw/zinc/99/58/74/868995874.db2.gz GDBGPPAQZHHYMJ-UHFFFAOYSA-N -1 1 397.843 3.756 20 30 GHEDMM COc1ccc(CC[C@@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000442961758 869162843 /nfs/dbraw/zinc/16/28/43/869162843.db2.gz CQZGGONZDKTRRH-IBGZPJMESA-N -1 1 394.471 3.909 20 30 GHEDMM CCCCN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC001192893247 870749843 /nfs/dbraw/zinc/74/98/43/870749843.db2.gz NRCUYEDJXGYSML-UHFFFAOYSA-N -1 1 399.516 3.870 20 30 GHEDMM Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)Nc2ccc(C#N)cc2[O-])s1 ZINC001192898153 870755462 /nfs/dbraw/zinc/75/54/62/870755462.db2.gz JDURHCVMOXSXIO-UHFFFAOYSA-N -1 1 392.362 3.997 20 30 GHEDMM O=c1cn[n-]c(=S)n1N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000766473342 870804661 /nfs/dbraw/zinc/80/46/61/870804661.db2.gz DGVROGZARKTWAY-UHFFFAOYSA-N -1 1 383.285 3.845 20 30 GHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)c(Br)cc1Cl ZINC001193149112 870920239 /nfs/dbraw/zinc/92/02/39/870920239.db2.gz LKGNIQRKHYHFER-YFKPBYRVSA-N -1 1 391.596 3.775 20 30 GHEDMM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)c1 ZINC001193687957 871236938 /nfs/dbraw/zinc/23/69/38/871236938.db2.gz PYPKXIIBDOSEIG-UHFFFAOYSA-N -1 1 392.305 3.665 20 30 GHEDMM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)nn1 ZINC000618088940 871275113 /nfs/dbraw/zinc/27/51/13/871275113.db2.gz SGIONPPJYIMYRM-UHFFFAOYSA-N -1 1 380.429 3.558 20 30 GHEDMM C[C@@H](C#N)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1 ZINC001194010975 871431848 /nfs/dbraw/zinc/43/18/48/871431848.db2.gz PSMYTOOVYWKVKA-VIFPVBQESA-N -1 1 382.800 3.605 20 30 GHEDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443400148 872043939 /nfs/dbraw/zinc/04/39/39/872043939.db2.gz PMEXGQXZIIPCKL-UHFFFAOYSA-N -1 1 399.350 3.903 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)ccc1C(F)(F)F ZINC000443410229 872251823 /nfs/dbraw/zinc/25/18/23/872251823.db2.gz ZFBKVGMXWYFPDW-UHFFFAOYSA-N -1 1 394.374 3.897 20 30 GHEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1ccc(C2CC2)cn1 ZINC001195611005 872535584 /nfs/dbraw/zinc/53/55/84/872535584.db2.gz AACWLAZZPPTLFR-LSHDLFTRSA-N -1 1 391.456 3.746 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC4(C[C@@H](F)CO4)CC3)c2)c1 ZINC001196318175 873027525 /nfs/dbraw/zinc/02/75/25/873027525.db2.gz DYNPYDVWIAUMOK-LJQANCHMSA-N -1 1 380.419 3.664 20 30 GHEDMM N#Cc1cccc(-c2cc(O)cc(C(=O)Nc3ccc4nc(CO)[nH]c4c3)c2)c1 ZINC001196319359 873029423 /nfs/dbraw/zinc/02/94/23/873029423.db2.gz SNKNGLWHQCWESD-UHFFFAOYSA-N -1 1 384.395 3.552 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccc4[nH]c(CO)nc4c3)c2)c1 ZINC001196319359 873029436 /nfs/dbraw/zinc/02/94/36/873029436.db2.gz SNKNGLWHQCWESD-UHFFFAOYSA-N -1 1 384.395 3.552 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CC[C@]4(C3)CC(F)(F)CO4)c2)c1 ZINC001196319926 873030437 /nfs/dbraw/zinc/03/04/37/873030437.db2.gz ZSMNMSBTBGHXEX-HXUWFJFHSA-N -1 1 384.382 3.571 20 30 GHEDMM Cn1cc2cccc(CNC(=O)c3cc([O-])cc(-c4cccc(C#N)c4)c3)c2n1 ZINC001196320943 873031063 /nfs/dbraw/zinc/03/10/63/873031063.db2.gz SQEHXCPHYVNDTB-UHFFFAOYSA-N -1 1 382.423 3.748 20 30 GHEDMM COC(=O)c1scc(C#N)c1[N-]C(=O)c1ccc(F)c(OC(C)C)c1F ZINC001196885420 873428424 /nfs/dbraw/zinc/42/84/24/873428424.db2.gz PLVDOSCDZKDCDQ-UHFFFAOYSA-N -1 1 380.372 3.724 20 30 GHEDMM Cc1ccc(C)c(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000102816568 873654111 /nfs/dbraw/zinc/65/41/11/873654111.db2.gz VDUQONZSFTYELV-MRXNPFEDSA-N -1 1 391.496 3.899 20 30 GHEDMM CCc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201323679 875634667 /nfs/dbraw/zinc/63/46/67/875634667.db2.gz LIQKVFOOCVJZLJ-UHFFFAOYSA-N -1 1 379.279 3.992 20 30 GHEDMM C=CCC[C@H](NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC000123056524 883037770 /nfs/dbraw/zinc/03/77/70/883037770.db2.gz KIBNACYXWXCPDT-IBGZPJMESA-N -1 1 378.476 3.808 20 30 GHEDMM C[C@@H](Cc1ccco1)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000850738975 877132868 /nfs/dbraw/zinc/13/28/68/877132868.db2.gz IBHQAPPCJMPPTA-SMDDNHRTSA-N -1 1 381.457 3.924 20 30 GHEDMM COc1cc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc(Cl)c1[O-] ZINC000615478490 877761414 /nfs/dbraw/zinc/76/14/14/877761414.db2.gz UBVJCAFUXCJYSN-ZDUSSCGKSA-N -1 1 395.640 3.811 20 30 GHEDMM COc1ccc([C@H]2C[C@@H]2C(C)=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)cc1 ZINC000789018310 878542223 /nfs/dbraw/zinc/54/22/23/878542223.db2.gz SLTFXMZTRMIFCL-HZPDHXFCSA-N -1 1 394.479 3.887 20 30 GHEDMM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1nccn1-c1ccccc1 ZINC000790148662 879485165 /nfs/dbraw/zinc/48/51/65/879485165.db2.gz CPGUZOUUAVULSA-UHFFFAOYSA-N -1 1 392.513 3.927 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)cc1[O-] ZINC000452532516 879640398 /nfs/dbraw/zinc/64/03/98/879640398.db2.gz PCIXHSBDBIYMKW-UHFFFAOYSA-N -1 1 381.379 3.759 20 30 GHEDMM N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000855301038 880417861 /nfs/dbraw/zinc/41/78/61/880417861.db2.gz CEGBTDSCCJDFNX-SFHVURJKSA-N -1 1 375.350 3.504 20 30 GHEDMM C=CCC1(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])CCOCC1 ZINC000855686251 880675436 /nfs/dbraw/zinc/67/54/36/880675436.db2.gz AUWFDHZYKCTVHH-UHFFFAOYSA-N -1 1 376.453 3.594 20 30 GHEDMM N#Cc1c(Cl)c2cc(F)cc(Cl)c2nc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170227208 881265770 /nfs/dbraw/zinc/26/57/70/881265770.db2.gz GWZQBWHYHIMIGJ-UHFFFAOYSA-N -1 1 390.165 3.668 20 30 GHEDMM N#Cc1c([N-]C(=O)c2cc(-c3cccc(Cl)c3F)no2)ncc2c1COCC2 ZINC001129873010 883293083 /nfs/dbraw/zinc/29/30/83/883293083.db2.gz FOOHLRIXQGXRJI-UHFFFAOYSA-N -1 1 398.781 3.726 20 30 GHEDMM Cn1c2ccccc2nc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000191002949 883574517 /nfs/dbraw/zinc/57/45/17/883574517.db2.gz WQFYNWRGJRLBFF-NRFANRHFSA-N -1 1 382.423 3.670 20 30 GHEDMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475788670 883822963 /nfs/dbraw/zinc/82/29/63/883822963.db2.gz LODMWFREEXSBFC-UHFFFAOYSA-N -1 1 383.242 3.764 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000475814410 884156208 /nfs/dbraw/zinc/15/62/08/884156208.db2.gz PVUPMJUARIZVFB-UHFFFAOYSA-N -1 1 390.424 3.757 20 30 GHEDMM C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000036714136 884234938 /nfs/dbraw/zinc/23/49/38/884234938.db2.gz YCKIVFHLFSIVRN-ZCFIWIBFSA-N -1 1 379.136 3.642 20 30 GHEDMM Cc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccc1F ZINC000103636615 885100387 /nfs/dbraw/zinc/10/03/87/885100387.db2.gz LRQJDLDJRYDXAT-ZDUSSCGKSA-N -1 1 381.432 3.801 20 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CCOC(=O)c1sc([N-]C(=O)c2c(F)cc(OC)cc2F)c(C#N)c1C ZINC001351255838 1064330989 /nfs/dbraw/zinc/33/09/89/1064330989.db2.gz ROUMJDSBIJEFPY-UHFFFAOYSA-N -1 1 380.372 3.644 20 30 GHEDMM O=C(C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)c1cnn(-c2ccccc2)c1 ZINC001472616077 1073576640 /nfs/dbraw/zinc/57/66/40/1073576640.db2.gz KTRGGDLUKXFIAQ-UHFFFAOYSA-N -1 1 390.226 3.780 20 30 GHEDMM C=CCC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)c1ccccc1 ZINC001475117995 1074744136 /nfs/dbraw/zinc/74/41/36/1074744136.db2.gz CCULGTLGOPBOME-NSYGIPOTSA-N -1 1 396.509 3.824 20 30 GHEDMM CCOC(=O)Nc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1C#N ZINC001476313184 1075122576 /nfs/dbraw/zinc/12/25/76/1075122576.db2.gz BUXMHIVHUWMHIB-UHFFFAOYSA-N -1 1 388.811 3.807 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3(C#N)CCCC3)ccc2C)c1 ZINC000067508643 222148041 /nfs/dbraw/zinc/14/80/41/222148041.db2.gz ZFOWVEDGYPTNGK-UHFFFAOYSA-N -1 1 397.500 3.670 20 30 GHEDMM Cc1ccc(-c2cc(C(F)(F)F)c(-c3nnn[n-]3)c(S[C@H](C)C#N)n2)o1 ZINC000737287812 598861869 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3.563 20 30 GHEDMM C=C(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000727361586 601839627 /nfs/dbraw/zinc/83/96/27/601839627.db2.gz QXICABMANWFORJ-UHFFFAOYSA-N -1 1 399.827 3.933 20 30 GHEDMM C#CCCOc1ccc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000833364724 604673334 /nfs/dbraw/zinc/67/33/34/604673334.db2.gz BFSBNSIYKYLREE-IBGZPJMESA-N -1 1 377.362 3.764 20 30 GHEDMM C=CCOc1c(Br)cc(CN2CC[C@](C)(C(=O)[O-])C2)cc1OCC ZINC000263515047 604673591 /nfs/dbraw/zinc/67/35/91/604673591.db2.gz OKSFEVLWSJGVII-SFHVURJKSA-N -1 1 398.297 3.709 20 30 GHEDMM CCO[C@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C1(CC)CC ZINC000821350927 606237646 /nfs/dbraw/zinc/23/76/46/606237646.db2.gz GQILGHKAECYDSH-LBPRGKRZSA-N -1 1 375.477 3.535 20 30 GHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(OCC(F)(F)F)cc1 ZINC000822924255 606391443 /nfs/dbraw/zinc/39/14/43/606391443.db2.gz ZNSKNKPZFKHQIR-ALCCZGGFSA-N -1 1 380.351 3.765 20 30 GHEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2c(Cl)c(Cl)ccc21 ZINC000823504844 606391597 /nfs/dbraw/zinc/39/15/97/606391597.db2.gz VHVOZOBFHZCRIT-ALCCZGGFSA-N -1 1 379.228 3.894 20 30 GHEDMM CC(=NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1cc(F)cc(F)c1[O-] ZINC000819773904 606856358 /nfs/dbraw/zinc/85/63/58/606856358.db2.gz XCJKHLAPWRMQBV-UHFFFAOYSA-N -1 1 398.295 3.705 20 30 GHEDMM C=CCn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccc(C)cc1 ZINC000819764160 607034795 /nfs/dbraw/zinc/03/47/95/607034795.db2.gz GELPZBHSXQVCIW-UHFFFAOYSA-N -1 1 393.451 3.910 20 30 GHEDMM C=CCn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccc(C)cc1 ZINC000819764160 607034796 /nfs/dbraw/zinc/03/47/96/607034796.db2.gz GELPZBHSXQVCIW-UHFFFAOYSA-N -1 1 393.451 3.910 20 30 GHEDMM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000826401147 608092400 /nfs/dbraw/zinc/09/24/00/608092400.db2.gz QPFJFGRNVZDFDX-RQOWECAXSA-N -1 1 379.214 3.726 20 30 GHEDMM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)s1 ZINC000826401147 608092401 /nfs/dbraw/zinc/09/24/01/608092401.db2.gz QPFJFGRNVZDFDX-RQOWECAXSA-N -1 1 379.214 3.726 20 30 GHEDMM C=CCC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)c1ccc(C(F)(F)F)cc1 ZINC000823894577 608435114 /nfs/dbraw/zinc/43/51/14/608435114.db2.gz UFCXRJFSVYNROB-CYBMUJFWSA-N -1 1 375.358 3.795 20 30 GHEDMM C=CCC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)c1ccc(C(F)(F)F)cc1 ZINC000823894577 608435115 /nfs/dbraw/zinc/43/51/15/608435115.db2.gz UFCXRJFSVYNROB-CYBMUJFWSA-N -1 1 375.358 3.795 20 30 GHEDMM N#Cc1cccc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)c1F ZINC000826386511 609477322 /nfs/dbraw/zinc/47/73/22/609477322.db2.gz HYMZXTCNAOCKJI-UHFFFAOYSA-N -1 1 387.378 3.677 20 30 GHEDMM CC(C)(CC#N)CNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000457988410 835511626 /nfs/dbraw/zinc/51/16/26/835511626.db2.gz CSAISBJQBIFAGT-UHFFFAOYSA-N -1 1 387.386 3.592 20 30 GHEDMM COCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc21 ZINC000179887660 836267228 /nfs/dbraw/zinc/26/72/28/836267228.db2.gz AGYJMSMGGNBAFI-UHFFFAOYSA-N -1 1 389.864 3.614 20 30 GHEDMM CCC[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)c1nn[n-]n1 ZINC000136735619 836431171 /nfs/dbraw/zinc/43/11/71/836431171.db2.gz WYQMFHKSCNGEIR-MRXNPFEDSA-N -1 1 396.838 3.788 20 30 GHEDMM C[C@@H](Oc1ccccc1)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362724 844193850 /nfs/dbraw/zinc/19/38/50/844193850.db2.gz HIJUFDAPWGYPEM-IUODEOHRSA-N -1 1 393.468 3.507 20 30 GHEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c(F)c1 ZINC000128983863 844284583 /nfs/dbraw/zinc/28/45/83/844284583.db2.gz ZBKHKZLZFZGHNA-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM CCN(Cc1cc(Br)ccc1F)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614366195 844301175 /nfs/dbraw/zinc/30/11/75/844301175.db2.gz LZAAORGHCSTXQG-UHFFFAOYSA-N -1 1 377.213 3.828 20 30 GHEDMM CCC1CC(=O)C(=CNc2ccccc2S(=O)(=O)[N-]c2ccccc2)C(=O)C1 ZINC000194960942 840380782 /nfs/dbraw/zinc/38/07/82/840380782.db2.gz LRZVNSZERSTLJT-UHFFFAOYSA-N -1 1 398.484 3.741 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000279987548 846255022 /nfs/dbraw/zinc/25/50/22/846255022.db2.gz QSDDRPDKPPARNU-UHFFFAOYSA-N -1 1 397.500 3.570 20 30 GHEDMM COCCn1nc(C)c(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1C ZINC000122407152 848940019 /nfs/dbraw/zinc/94/00/19/848940019.db2.gz AQKLLEUQMWUTSJ-FNORWQNLSA-N -1 1 379.254 3.511 20 30 GHEDMM N#Cc1cncc(S(=O)(=O)[N-][C@@H](c2cccc3ccccc32)C(F)(F)F)c1 ZINC000583350577 849683533 /nfs/dbraw/zinc/68/35/33/849683533.db2.gz HWWRLBPERQGORC-KRWDZBQOSA-N -1 1 391.374 3.688 20 30 GHEDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435160090 850165010 /nfs/dbraw/zinc/16/50/10/850165010.db2.gz ZCEALRNISZRQLY-UHFFFAOYSA-N -1 1 380.351 3.563 20 30 GHEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1C ZINC000506687902 850440496 /nfs/dbraw/zinc/44/04/96/850440496.db2.gz DPHWPKWHBBUHOT-UHFFFAOYSA-N -1 1 386.473 3.774 20 30 GHEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000171367593 862168655 /nfs/dbraw/zinc/16/86/55/862168655.db2.gz YQYMTVONPTUUQR-LBPRGKRZSA-N -1 1 382.832 3.820 20 30 GHEDMM Cc1oc(C#N)cc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000435769008 850841755 /nfs/dbraw/zinc/84/17/55/850841755.db2.gz HXVZLACASOPRSN-CYBMUJFWSA-N -1 1 378.413 3.539 20 30 GHEDMM C=CCn1cccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000488215774 851274091 /nfs/dbraw/zinc/27/40/91/851274091.db2.gz WVSNOFOBPIQFFE-ZDUSSCGKSA-N -1 1 378.457 3.753 20 30 GHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCc3ccccc3F)cc2)c(=O)o1 ZINC000028621273 851814597 /nfs/dbraw/zinc/81/45/97/851814597.db2.gz FSQYLILVUAKQPW-OGECGYFKSA-N -1 1 380.371 3.633 20 30 GHEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(C(F)(F)F)cc3[O-])n2)c1 ZINC000436751961 852293971 /nfs/dbraw/zinc/29/39/71/852293971.db2.gz PBRMHGVLDVQRTC-UHFFFAOYSA-N -1 1 386.333 3.603 20 30 GHEDMM CCOc1cc(-c2noc(-c3ccc(C#N)o3)n2)cc(Br)c1[O-] ZINC000436783501 852336326 /nfs/dbraw/zinc/33/63/26/852336326.db2.gz MLPKRQHNZPRDON-UHFFFAOYSA-N -1 1 376.166 3.735 20 30 GHEDMM Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000425677611 852600878 /nfs/dbraw/zinc/60/08/78/852600878.db2.gz JBALFWOQUIFXGB-DOTOQJQBSA-N -1 1 398.488 3.610 20 30 GHEDMM Cc1nsc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c1C#N ZINC000439292210 853518286 /nfs/dbraw/zinc/51/82/86/853518286.db2.gz HULFLCYUEKWIMI-UHFFFAOYSA-N -1 1 392.469 3.885 20 30 GHEDMM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055594946 854015322 /nfs/dbraw/zinc/01/53/22/854015322.db2.gz PPLLVUUUHCNUMT-UHFFFAOYSA-N -1 1 377.853 3.669 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000589171979 854714011 /nfs/dbraw/zinc/71/40/11/854714011.db2.gz IAGHKLIQSJTQHY-UHFFFAOYSA-N -1 1 377.444 3.713 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)c1 ZINC000589179385 854732146 /nfs/dbraw/zinc/73/21/46/854732146.db2.gz OOSQGIIBVLWOOP-UHFFFAOYSA-N -1 1 392.802 3.817 20 30 GHEDMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1-c1cccc(Cl)c1 ZINC000589587929 855072797 /nfs/dbraw/zinc/07/27/97/855072797.db2.gz BWLVNDZARPCOFU-UHFFFAOYSA-N -1 1 386.864 3.905 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC000172590465 856490463 /nfs/dbraw/zinc/49/04/63/856490463.db2.gz NVJOSQWJEKRHDH-UHFFFAOYSA-N -1 1 391.452 3.920 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000172590667 856494808 /nfs/dbraw/zinc/49/48/08/856494808.db2.gz QMADZVTUWRAYNC-UHFFFAOYSA-N -1 1 397.500 3.684 20 30 GHEDMM C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000428035907 857023570 /nfs/dbraw/zinc/02/35/70/857023570.db2.gz GREZKHJATHNOMW-GOSISDBHSA-N -1 1 388.464 3.807 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1CC(=O)OC(C)(C)C ZINC000174051635 857202666 /nfs/dbraw/zinc/20/26/66/857202666.db2.gz ZPWYKPVVFJFLKH-UHFFFAOYSA-N -1 1 386.473 3.552 20 30 GHEDMM N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000009903453 858050305 /nfs/dbraw/zinc/05/03/05/858050305.db2.gz SGRROFNWYABBEZ-UHFFFAOYSA-N -1 1 377.425 3.611 20 30 GHEDMM CCc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nn1-c1ccccc1F ZINC000442734173 858080499 /nfs/dbraw/zinc/08/04/99/858080499.db2.gz CWZXPZLUSDJYTL-CYBMUJFWSA-N -1 1 388.406 3.644 20 30 GHEDMM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114674191 858159088 /nfs/dbraw/zinc/15/90/88/858159088.db2.gz BWTRFSDJAJXMEQ-UHFFFAOYSA-N -1 1 385.489 3.961 20 30 GHEDMM CO[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N)C1CCCC1 ZINC000594694102 858256479 /nfs/dbraw/zinc/25/64/79/858256479.db2.gz FNWDJBIAIVNKAH-WMLDXEAASA-N -1 1 382.551 3.885 20 30 GHEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Sc1ccc(Br)cc1 ZINC000442960807 858271417 /nfs/dbraw/zinc/27/14/17/858271417.db2.gz ALOQOVNNXFBRAR-LLVKDONJSA-N -1 1 391.290 3.937 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1[O-] ZINC000442982766 858291126 /nfs/dbraw/zinc/29/11/26/858291126.db2.gz MICQUDMXEKMLDI-UHFFFAOYSA-N -1 1 390.468 3.802 20 30 GHEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)cc1[O-] ZINC000443105632 858363618 /nfs/dbraw/zinc/36/36/18/858363618.db2.gz CEKYLECQDFEGBT-AWEZNQCLSA-N -1 1 386.276 3.899 20 30 GHEDMM COc1cc(-c2noc(C3(C#N)CC4(CC4)C3)n2)cc(Br)c1[O-] ZINC000601372628 859206913 /nfs/dbraw/zinc/20/69/13/859206913.db2.gz DQAYBDVWWWVLBS-UHFFFAOYSA-N -1 1 376.210 3.549 20 30 GHEDMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)cn1 ZINC000509376358 859219979 /nfs/dbraw/zinc/21/99/79/859219979.db2.gz PZQOSVOZHYUROD-UHFFFAOYSA-N -1 1 379.441 3.738 20 30 GHEDMM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000764313447 859376801 /nfs/dbraw/zinc/37/68/01/859376801.db2.gz YZMWCWPHVUQBNC-UHFFFAOYSA-N -1 1 397.778 3.566 20 30 GHEDMM CC(C)c1ncc(Cl)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)n1 ZINC000764314271 859377699 /nfs/dbraw/zinc/37/76/99/859377699.db2.gz JDTDCBIWVGHDIS-UHFFFAOYSA-N -1 1 380.191 3.939 20 30 GHEDMM C#CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000727040045 859897379 /nfs/dbraw/zinc/89/73/79/859897379.db2.gz YPPGJEJENWSLLF-UHFFFAOYSA-N -1 1 384.240 3.584 20 30 GHEDMM Cc1nc(CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cs1 ZINC000733679604 863108276 /nfs/dbraw/zinc/10/82/76/863108276.db2.gz CENMRYBASNMRKK-CYBMUJFWSA-N -1 1 398.513 3.850 20 30 GHEDMM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1Br ZINC000172818516 863986639 /nfs/dbraw/zinc/98/66/39/863986639.db2.gz BYNPGJUBKRXECY-DAFODLJHSA-N -1 1 395.180 3.653 20 30 GHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(F)c(I)c2)n1 ZINC000121298357 882035498 /nfs/dbraw/zinc/03/54/98/882035498.db2.gz SGHOAOMHXUBKGI-SECBINFHSA-N -1 1 386.189 3.685 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCCC2)cc1 ZINC000523670834 867721902 /nfs/dbraw/zinc/72/19/02/867721902.db2.gz KLLHGMQXQWICIX-UHFFFAOYSA-N -1 1 397.500 3.752 20 30 GHEDMM C=C(C)[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)OCC ZINC000535150947 868254253 /nfs/dbraw/zinc/25/42/53/868254253.db2.gz OVNLGMWCHBJUSH-IBGZPJMESA-N -1 1 388.489 3.797 20 30 GHEDMM C=C(C)CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000744307352 868747122 /nfs/dbraw/zinc/74/71/22/868747122.db2.gz SHYQWCNUBMSHMJ-UHFFFAOYSA-N -1 1 375.446 3.619 20 30 GHEDMM N#Cc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)ccc1F ZINC000524497678 869168322 /nfs/dbraw/zinc/16/83/22/869168322.db2.gz VMINKHVRQWRNKG-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM O=C(COCC(F)(F)F)[N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000547482433 869883919 /nfs/dbraw/zinc/88/39/19/869883919.db2.gz HRMIUJUCMKJEIV-JTQLQIEISA-N -1 1 399.209 3.884 20 30 GHEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])c(OCc2cccnc2)c1 ZINC000766489436 870814707 /nfs/dbraw/zinc/81/47/07/870814707.db2.gz FCYKWRZZDYIWMY-YVMONPNESA-N -1 1 377.396 3.977 20 30 GHEDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(F)c1 ZINC000443356705 871592872 /nfs/dbraw/zinc/59/28/72/871592872.db2.gz YFXKLLIOTNCEFP-KRWDZBQOSA-N -1 1 391.424 3.671 20 30 GHEDMM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041561444 872433208 /nfs/dbraw/zinc/43/32/08/872433208.db2.gz PCRVVTSCPLSDFS-CYBMUJFWSA-N -1 1 380.429 3.799 20 30 GHEDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c1 ZINC000448115324 872870564 /nfs/dbraw/zinc/87/05/64/872870564.db2.gz 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N#Cc1cccc(-c2cc(C(=O)[N-]c3nc(F)c(F)c(Cl)c3F)no2)c1 ZINC001196758976 873330735 /nfs/dbraw/zinc/33/07/35/873330735.db2.gz BUJBMVWNOQFWRU-UHFFFAOYSA-N -1 1 378.697 3.931 20 30 GHEDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)ccn1 ZINC001197281455 873709606 /nfs/dbraw/zinc/70/96/06/873709606.db2.gz FYNDQDNMMNAZAN-UHFFFAOYSA-N -1 1 394.294 3.814 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)c(Br)c1 ZINC001198073541 874197259 /nfs/dbraw/zinc/19/72/59/874197259.db2.gz NBXYBRWOJYYNPE-UHFFFAOYSA-N -1 1 395.278 3.747 20 30 GHEDMM CCC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccc(OC)c(OC)c1 ZINC000769807148 874299547 /nfs/dbraw/zinc/29/95/47/874299547.db2.gz IDFQPZKYCHYQJL-UHFFFAOYSA-N -1 1 398.467 3.530 20 30 GHEDMM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccc(OC(F)F)cc1 ZINC000769811669 874302017 /nfs/dbraw/zinc/30/20/17/874302017.db2.gz BNIHSARJHSJBLJ-UHFFFAOYSA-N -1 1 390.394 3.724 20 30 GHEDMM CC(C)(C)c1ccc(N2CCC(NC(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000785540062 876094692 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ZINC001342510021 1053207430 /nfs/dbraw/zinc/20/74/30/1053207430.db2.gz GPKMAEMUVGTKJQ-RRFJBIMHSA-N -1 1 390.468 3.651 20 30 GHEDMM CCc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC001343982580 1054158968 /nfs/dbraw/zinc/15/89/68/1054158968.db2.gz JHTRROSQISATAN-HNNXBMFYSA-N -1 1 376.441 3.729 20 30 GHEDMM O=C(N=C1[N-]S(=O)(=O)c2ccccc21)c1cc2sc3ccccc3c2s1 ZINC001318043797 1054367838 /nfs/dbraw/zinc/36/78/38/1054367838.db2.gz FQHGXSYSTGHEMN-UHFFFAOYSA-N -1 1 398.490 3.995 20 30 GHEDMM Cc1nc([C@@H]2CCOC2)sc1C([O-])=C(C#N)c1nc2c(cccc2Cl)[nH]1 ZINC001344367065 1054387302 /nfs/dbraw/zinc/38/73/02/1054387302.db2.gz ALSIWMIOVDPHTP-GHMZBOCLSA-N -1 1 386.864 3.975 20 30 GHEDMM O=c1[n-]c(=S)[nH]c(NC(=S)NC2CCCCC2)c1N=Cc1ccccc1 ZINC001200643859 1056575375 /nfs/dbraw/zinc/57/53/75/1056575375.db2.gz MNYIWBNXJJZZTI-YBFXNURJSA-N -1 1 387.534 3.841 20 30 GHEDMM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc([O-])c(F)c1F ZINC000848208065 1056875102 /nfs/dbraw/zinc/87/51/02/1056875102.db2.gz 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Cc1cc2c(cc1C)C(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)CCCO2 ZINC000737283054 598861354 /nfs/dbraw/zinc/86/13/54/598861354.db2.gz ANQDCIPHOJGBHK-UHFFFAOYSA-N -1 1 395.467 3.758 20 30 GHEDMM CSc1ccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1F ZINC000737192941 599129401 /nfs/dbraw/zinc/12/94/01/599129401.db2.gz MQWICQPWWOTINV-UHFFFAOYSA-N -1 1 389.460 3.849 20 30 GHEDMM CC[C@@H](C#N)Oc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000820843366 599557432 /nfs/dbraw/zinc/55/74/32/599557432.db2.gz XEACFQYEJJLUJV-HNNXBMFYSA-N -1 1 385.431 3.708 20 30 GHEDMM CC[C@@H](C#N)Oc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000820843366 599557435 /nfs/dbraw/zinc/55/74/35/599557435.db2.gz XEACFQYEJJLUJV-HNNXBMFYSA-N -1 1 385.431 3.708 20 30 GHEDMM CC[C@H](C#N)Oc1cccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)c1 ZINC000820843368 599557861 /nfs/dbraw/zinc/55/78/61/599557861.db2.gz XEACFQYEJJLUJV-OAHLLOKOSA-N -1 1 385.431 3.708 20 30 GHEDMM CC[C@H](C#N)Oc1cccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)c1 ZINC000820843368 599557863 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387.509 3.797 20 30 GHEDMM O=C(Cn1ccc(C(F)(F)F)n1)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000504337124 850029867 /nfs/dbraw/zinc/02/98/67/850029867.db2.gz RPKOJCBKDSQNSE-LBPRGKRZSA-N -1 1 387.230 3.600 20 30 GHEDMM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435499512 850594698 /nfs/dbraw/zinc/59/46/98/850594698.db2.gz GIZHSSXHOUEIAT-UHFFFAOYSA-N -1 1 383.882 3.813 20 30 GHEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000171367586 862168455 /nfs/dbraw/zinc/16/84/55/862168455.db2.gz YQYMTVONPTUUQR-GFCCVEGCSA-N -1 1 382.832 3.820 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)cc1C ZINC000424972317 850809566 /nfs/dbraw/zinc/80/95/66/850809566.db2.gz VDEHQROOIBRLGW-FUHWJXTLSA-N -1 1 397.500 3.526 20 30 GHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000436024489 851109762 /nfs/dbraw/zinc/10/97/62/851109762.db2.gz JENFHTGISWVDTD-UHFFFAOYSA-N -1 1 394.294 3.862 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC3c4ccccc4C2c2ccccc23)o1 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3.954 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(F)c(CSC)c2)n1 ZINC000473928074 854297100 /nfs/dbraw/zinc/29/71/00/854297100.db2.gz MJRLHZJOACUNAD-GFCCVEGCSA-N -1 1 378.450 3.812 20 30 GHEDMM CCN1c2ccc(C)cc2C(=NN=c2[n-]c(-c3ccc(Cl)cc3)no2)C1=O ZINC000732924927 862593489 /nfs/dbraw/zinc/59/34/89/862593489.db2.gz BZJBROVHOQXFCC-UHFFFAOYSA-N -1 1 381.823 3.881 20 30 GHEDMM CCN1c2ccc(C)cc2C(=NN=c2nc(-c3ccc(Cl)cc3)[n-]o2)C1=O ZINC000732924927 862593496 /nfs/dbraw/zinc/59/34/96/862593496.db2.gz BZJBROVHOQXFCC-UHFFFAOYSA-N -1 1 381.823 3.881 20 30 GHEDMM C=C(C)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000024457711 855061832 /nfs/dbraw/zinc/06/18/32/855061832.db2.gz PTAJHFVHFGQZTA-UHFFFAOYSA-N -1 1 394.443 3.804 20 30 GHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cnc1N1CCCC[C@H]1C ZINC000589588818 855073337 /nfs/dbraw/zinc/07/33/37/855073337.db2.gz KMKKFPRRNUWNBB-MRXNPFEDSA-N -1 1 384.505 3.636 20 30 GHEDMM CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055581491 855351705 /nfs/dbraw/zinc/35/17/05/855351705.db2.gz RHZUOYIPHWZHIS-UHFFFAOYSA-N -1 1 392.868 3.542 20 30 GHEDMM C=C(C)CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000482156605 862752412 /nfs/dbraw/zinc/75/24/12/862752412.db2.gz DTBCXGIYNCPGQO-UHFFFAOYSA-N -1 1 376.453 3.583 20 30 GHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000171345345 856098886 /nfs/dbraw/zinc/09/88/86/856098886.db2.gz RBPAIZOWDOQIDC-UHFFFAOYSA-N -1 1 386.473 3.569 20 30 GHEDMM C=C(C)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000482143315 862759226 /nfs/dbraw/zinc/75/92/26/862759226.db2.gz RSKYJUWIOFEXNT-UHFFFAOYSA-N -1 1 378.881 3.789 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000172590542 856490072 /nfs/dbraw/zinc/49/00/72/856490072.db2.gz FYTQUTJEWALYAH-UHFFFAOYSA-N -1 1 382.441 3.977 20 30 GHEDMM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427746666 856661501 /nfs/dbraw/zinc/66/15/01/856661501.db2.gz IKJGOWVEDXXVEZ-UHFFFAOYSA-N -1 1 398.463 3.866 20 30 GHEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cccs3)n2)cc1 ZINC000131766148 856737117 /nfs/dbraw/zinc/73/71/17/856737117.db2.gz ODSVAJPIZCRJPM-CYBMUJFWSA-N -1 1 383.454 3.841 20 30 GHEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc3c(s2)CCC3)C1=O ZINC000906487136 857116505 /nfs/dbraw/zinc/11/65/05/857116505.db2.gz VFUCKTKBLPIMPW-LJQANCHMSA-N -1 1 377.510 3.553 20 30 GHEDMM CC[C@@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)N(CC)CC ZINC000765967542 857478485 /nfs/dbraw/zinc/47/84/85/857478485.db2.gz RVGBJZPBPOLTAK-KBPBESRZSA-N -1 1 386.521 3.572 20 30 GHEDMM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2cccc(F)c2F)CC1 ZINC000521375163 857927269 /nfs/dbraw/zinc/92/72/69/857927269.db2.gz JRUXZGFTXAOOAP-UHFFFAOYSA-N -1 1 392.427 3.505 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000114673658 858158888 /nfs/dbraw/zinc/15/88/88/858158888.db2.gz OPAPSVLSNZHAMG-INIZCTEOSA-N -1 1 397.500 3.682 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000114673710 858158905 /nfs/dbraw/zinc/15/89/05/858158905.db2.gz JCDXVPHJICTALV-UHFFFAOYSA-N -1 1 397.500 3.540 20 30 GHEDMM N#Cc1ccc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)cc1[O-] ZINC000442964308 858273135 /nfs/dbraw/zinc/27/31/35/858273135.db2.gz OGODPYOSSLWBNH-UHFFFAOYSA-N -1 1 386.411 3.838 20 30 GHEDMM N#Cc1ccc(C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cc1[O-] ZINC000443565557 858954331 /nfs/dbraw/zinc/95/43/31/858954331.db2.gz HQJUGCZYBUWTEG-UHFFFAOYSA-N -1 1 378.325 3.883 20 30 GHEDMM COc1cc(C(C)=NN=c2nc[nH]c3sc(C)c(C)c32)cc([N+](=O)[O-])c1[O-] ZINC000764664987 859557715 /nfs/dbraw/zinc/55/77/15/859557715.db2.gz GOKAJHUTPGWWFV-UHFFFAOYSA-N -1 1 387.421 3.767 20 30 GHEDMM Cc1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1C#N ZINC000466461950 859626534 /nfs/dbraw/zinc/62/65/34/859626534.db2.gz BEFZNZZQRMXDII-UHFFFAOYSA-N -1 1 387.205 3.708 20 30 GHEDMM COc1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cc(Cl)c1[O-] ZINC000602185998 859844599 /nfs/dbraw/zinc/84/45/99/859844599.db2.gz JYOGTWDBCIQRQE-UHFFFAOYSA-N -1 1 385.851 3.643 20 30 GHEDMM Cn1cnc2cc(C=Nn3c(=S)[n-]nc3SCc3ccccc3)ccc21 ZINC000761254978 860041496 /nfs/dbraw/zinc/04/14/96/860041496.db2.gz PFAUIASVJNJXEE-UHFFFAOYSA-N -1 1 380.502 3.628 20 30 GHEDMM N#CC(=C([O-])c1cccc(N2CCCNC2=O)c1)c1nc2ccccc2s1 ZINC000484545320 860104049 /nfs/dbraw/zinc/10/40/49/860104049.db2.gz MVAWSUDGADEKBD-OAHLLOKOSA-N -1 1 376.441 3.706 20 30 GHEDMM N#CC1(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CCCCC1 ZINC000097373278 860248560 /nfs/dbraw/zinc/24/85/60/860248560.db2.gz HTPQSKFPCMPXGQ-UHFFFAOYSA-N -1 1 399.397 3.879 20 30 GHEDMM C=CCOc1cc(OC)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765732708 860514762 /nfs/dbraw/zinc/51/47/62/860514762.db2.gz RQHHCIYUOTYCGR-UHFFFAOYSA-N -1 1 392.249 3.658 20 30 GHEDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000480130038 864112046 /nfs/dbraw/zinc/11/20/46/864112046.db2.gz FXVMAURRMBYUMX-UHFFFAOYSA-N -1 1 382.363 3.971 20 30 GHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480175658 864198727 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GHEDMM N#Cc1ccc(N2CCC(C(=O)Nc3ccc([O-])c(F)c3F)CC2)c(F)c1 ZINC000456785418 867144993 /nfs/dbraw/zinc/14/49/93/867144993.db2.gz NEIGLCVFWUGNCE-UHFFFAOYSA-N -1 1 375.350 3.536 20 30 GHEDMM C=CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000154161702 867707688 /nfs/dbraw/zinc/70/76/88/867707688.db2.gz WVCRFJUPHCIKIQ-UHFFFAOYSA-N -1 1 378.881 3.707 20 30 GHEDMM C#CCOc1cc(F)ccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000743194582 867941127 /nfs/dbraw/zinc/94/11/27/867941127.db2.gz LAGJGBASLRGYOJ-UHFFFAOYSA-N -1 1 396.418 3.670 20 30 GHEDMM C=C(C)[C@@H](Cc1nc(-c2cc(Br)c([O-])c(OC)c2)no1)OCC ZINC000445389147 868340366 /nfs/dbraw/zinc/34/03/66/868340366.db2.gz BHXVRFXFMUJGDT-GFCCVEGCSA-N -1 1 383.242 3.737 20 30 GHEDMM O=S1(=O)[N-]C(=NN=Cc2ccc(Oc3cccc(F)c3)cc2)c2ccccc21 ZINC000766434005 870763006 /nfs/dbraw/zinc/76/30/06/870763006.db2.gz JKXFYFDLQUSXBX-UHFFFAOYSA-N -1 1 395.415 3.691 20 30 GHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C ZINC001193160694 870926376 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GHEDMM C=C(C)CN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000060783696 882649524 /nfs/dbraw/zinc/64/95/24/882649524.db2.gz WDLINVUEIXSKSB-UHFFFAOYSA-N -1 1 390.480 3.973 20 30 GHEDMM N#Cc1ccc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000669891754 872904627 /nfs/dbraw/zinc/90/46/27/872904627.db2.gz ZBTFPYIJOCADTO-UHFFFAOYSA-N -1 1 397.862 3.722 20 30 GHEDMM CCOC(=O)c1cc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)c[nH]1 ZINC001196309092 873001420 /nfs/dbraw/zinc/00/14/20/873001420.db2.gz LMXOTOJNNSYWAP-UHFFFAOYSA-N -1 1 375.384 3.688 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)NC(=N)c3cccnc3Cl)c2)c1 ZINC001196329781 873036843 /nfs/dbraw/zinc/03/68/43/873036843.db2.gz GYKGXDMBTVIFER-UHFFFAOYSA-N -1 1 376.803 3.735 20 30 GHEDMM COc1ccc(NC(=S)NN=C(C)c2ccc([O-])c(Cl)c2)cc1OC ZINC000768769138 873537473 /nfs/dbraw/zinc/53/74/73/873537473.db2.gz SFAFWCRUJGBOSS-UHFFFAOYSA-N -1 1 379.869 3.773 20 30 GHEDMM C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(C#N)c2)cc1 ZINC001197312118 873700354 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877180012 /nfs/dbraw/zinc/18/00/12/877180012.db2.gz IDVFYUUTFYAERJ-NSHDSACASA-N -1 1 397.378 3.870 20 30 GHEDMM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1Cl ZINC000451066440 877322890 /nfs/dbraw/zinc/32/28/90/877322890.db2.gz UOLJEEIMHNSQLG-UHFFFAOYSA-N -1 1 380.901 3.676 20 30 GHEDMM COc1ccc(F)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)c1OC ZINC000788453192 878076570 /nfs/dbraw/zinc/07/65/70/878076570.db2.gz MOTGEVWURDNNRO-UHFFFAOYSA-N -1 1 379.731 3.528 20 30 GHEDMM N#Cc1cccc(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000530668740 878266864 /nfs/dbraw/zinc/26/68/64/878266864.db2.gz SEVYELRMFZKJJT-UHFFFAOYSA-N -1 1 391.452 3.540 20 30 GHEDMM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C1 ZINC000451730859 878367508 /nfs/dbraw/zinc/36/75/08/878367508.db2.gz CIEVWBUGEXGSNB-YUMQZZPRSA-N -1 1 383.720 3.525 20 30 GHEDMM CC(C)(C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(F)cc(C#N)c1 ZINC001183251769 912387780 /nfs/dbraw/zinc/38/77/80/912387780.db2.gz XAZHQDRLNUOURT-UHFFFAOYSA-N -1 1 399.813 3.758 20 30 GHEDMM CC(C)(C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(F)cc(C#N)c1 ZINC001183251769 912387815 /nfs/dbraw/zinc/38/78/15/912387815.db2.gz XAZHQDRLNUOURT-UHFFFAOYSA-N -1 1 399.813 3.758 20 30 GHEDMM C=CCCC1(CNC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)CCCC1 ZINC000617416169 879698986 /nfs/dbraw/zinc/69/89/86/879698986.db2.gz DJUWSXWXSMZPOO-UHFFFAOYSA-N -1 1 380.492 3.738 20 30 GHEDMM C=CCn1c([C@]2(C)CCCO2)n[n-]c1=N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000453440779 880900970 /nfs/dbraw/zinc/90/09/70/880900970.db2.gz NDMOTTXPSWOHRY-ZTQAJYAQSA-N -1 1 390.915 3.753 20 30 GHEDMM Cc1cc(C#N)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC001183694897 912735024 /nfs/dbraw/zinc/73/50/24/912735024.db2.gz SGQYPQIRYIJGJX-OAQYLSRUSA-N -1 1 399.450 3.969 20 30 GHEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105091 883694125 /nfs/dbraw/zinc/69/41/25/883694125.db2.gz BMAJCCNHMBFEIB-HXUWFJFHSA-N -1 1 376.416 3.696 20 30 GHEDMM 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IYRWZWKRYQJNOP-ZDUSSCGKSA-N -1 1 389.267 3.606 20 30 GHEDMM C=CCO[N-]C(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC ZINC001140879376 1022779167 /nfs/dbraw/zinc/77/91/67/1022779167.db2.gz DKYKAWIUGDUSAP-KNQAVFIVSA-N -1 1 394.471 3.722 20 30 GHEDMM [O-]c1c(F)cccc1C=NN1C(=S)N=NC1c1cccc(Br)c1 ZINC000755605459 1023311656 /nfs/dbraw/zinc/31/16/56/1023311656.db2.gz ZCHNBPYOCMYGGW-UHFFFAOYSA-N -1 1 393.241 3.723 20 30 GHEDMM CC(C)(C)OC(=O)N1CCc2nc(/C=C3/Cc4cc([O-])ccc4C3=O)sc2C1 ZINC000840718982 1027757729 /nfs/dbraw/zinc/75/77/29/1027757729.db2.gz BYSNXRRJCNSCBG-RAXLEYEMSA-N -1 1 398.484 3.964 20 30 GHEDMM N#Cc1cnc(Nc2c(Cl)ccc([O-])c2F)c(I)c1 ZINC001214556371 1028791452 /nfs/dbraw/zinc/79/14/52/1028791452.db2.gz QNHQSRHBWYKSNG-UHFFFAOYSA-N -1 1 389.555 3.800 20 30 GHEDMM COCCn1c(C(=O)Nc2ccc(C#N)cc2[O-])cc2c1c1ccccc1n2C ZINC001150244799 1030463884 /nfs/dbraw/zinc/46/38/84/1030463884.db2.gz FFIGGBGMTKIWCD-UHFFFAOYSA-N -1 1 388.427 3.609 20 30 GHEDMM CC(C)(C)OC(=O)N1CC[C@H](OCCO/C(=N\[O-])c2ccc(Cl)cc2)C1 ZINC001223593039 1030651147 /nfs/dbraw/zinc/65/11/47/1030651147.db2.gz HDXMSWMRWBCVEZ-VHAMKEJYSA-N -1 1 384.860 3.518 20 30 GHEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1cc2ccccc2[nH]1 ZINC001218662323 1031023494 /nfs/dbraw/zinc/02/34/94/1031023494.db2.gz ACAHKTQEZFTAEL-SRZZPIQSSA-N -1 1 389.440 3.955 20 30 GHEDMM C#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc2)CCCC1 ZINC001153270150 1031514732 /nfs/dbraw/zinc/51/47/32/1031514732.db2.gz QICHXCSVCFITKE-UHFFFAOYSA-N -1 1 396.512 3.780 20 30 GHEDMM CC[C@H]1OC(C)=C(Oc2cc([O-])cc(O)c2C(=O)CCc2ccc(O)cc2)C1=O ZINC001225943257 1031707983 /nfs/dbraw/zinc/70/79/83/1031707983.db2.gz UWMIXZVECISWAR-GOSISDBHSA-N -1 1 398.411 3.607 20 30 GHEDMM N#C[C@H]1CC[C@@H](Oc2c(Br)c([O-])cc(O)c2Br)C1 ZINC001229276871 1033386037 /nfs/dbraw/zinc/38/60/37/1033386037.db2.gz GLGVPLFCRWTUKB-NKWVEPMBSA-N -1 1 377.032 3.694 20 30 GHEDMM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001229295229 1033397651 /nfs/dbraw/zinc/39/76/51/1033397651.db2.gz XXKHAZGLSYUXPA-QGZVFWFLSA-N -1 1 384.428 3.994 20 30 GHEDMM C#C[C@H](NC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1)C(C)(C)C ZINC001205652482 1033511339 /nfs/dbraw/zinc/51/13/39/1033511339.db2.gz ISHOQMDOZPDNLS-IBGZPJMESA-N -1 1 399.516 3.965 20 30 GHEDMM COc1cc([O-])cc(O[C@H]2CCCN(C(C)=O)C2)c1C(=O)/C=C/c1ccccc1 ZINC001229528266 1033541738 /nfs/dbraw/zinc/54/17/38/1033541738.db2.gz YOBYWPUBVVYLFH-VYENPZKTSA-N -1 1 395.455 3.687 20 30 GHEDMM COc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O[C@H]2CCCCC2=O)c1 ZINC001229693970 1033646665 /nfs/dbraw/zinc/64/66/65/1033646665.db2.gz JWBYQNQLQMRZHT-FXVWLTTGSA-N -1 1 382.412 3.893 20 30 GHEDMM [O-]N=Cc1cc(Br)cc(Br)c1O[C@@H]1CCCOC1 ZINC001231322035 1034517880 /nfs/dbraw/zinc/51/78/80/1034517880.db2.gz DGKDKSDKUGPJCV-SNVBAGLBSA-N -1 1 379.048 3.578 20 30 GHEDMM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001207896131 1034642475 /nfs/dbraw/zinc/64/24/75/1034642475.db2.gz FVKKBBJSGKHWIJ-SNVBAGLBSA-N -1 1 377.279 3.563 20 30 GHEDMM CCOC(=O)c1cn2cc(-c3ccc([O-])c(C#N)c3)cc(C(F)(F)F)c2n1 ZINC001242565604 1035924475 /nfs/dbraw/zinc/92/44/75/1035924475.db2.gz MFXJIQHCYFXHAY-UHFFFAOYSA-N -1 1 375.306 3.774 20 30 GHEDMM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1[O-] ZINC001243610802 1036218847 /nfs/dbraw/zinc/21/88/47/1036218847.db2.gz UBSUUJSPSHXVPK-GFCCVEGCSA-N -1 1 387.317 3.801 20 30 GHEDMM C#C[C@H](COc1cccc(C(F)(F)F)c1)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234474952 1040059416 /nfs/dbraw/zinc/05/94/16/1040059416.db2.gz AOVNEHWIADOZTE-CYBMUJFWSA-N -1 1 380.318 3.779 20 30 GHEDMM COC(=O)c1cc(F)c(=O)[n-]c1O[C@@H](/C(=N\O)c1ccccc1)c1ccccc1 ZINC001234610799 1040168486 /nfs/dbraw/zinc/16/84/86/1040168486.db2.gz VIIVZVHUWUZGAS-YLPLVBRQSA-N -1 1 396.374 3.712 20 30 GHEDMM C[C@@H](CC(C)(C)S)Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21 ZINC001234749831 1040276206 /nfs/dbraw/zinc/27/62/06/1040276206.db2.gz DZTUMJNWUWKOMO-VIFPVBQESA-N -1 1 376.430 3.929 20 30 GHEDMM N#CC1CCC(Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)cc2O)O3)CC1 ZINC001234753620 1040281426 /nfs/dbraw/zinc/28/14/26/1040281426.db2.gz JPDQIYPJWNNJGK-JBAZFKOSSA-N -1 1 395.411 3.971 20 30 GHEDMM COc1cc([O-])cc(OC2=C(C)O[C@@H](C)C2=O)c1C(=O)C=Cc1ccc(O)cc1 ZINC001234775456 1040303936 /nfs/dbraw/zinc/30/39/36/1040303936.db2.gz WGFUVXYJGSTAFI-LZGFCCKTSA-N -1 1 396.395 3.601 20 30 GHEDMM COc1cc([O-])cc(O[C@H]2CCO[C@@H](C)C2)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234778363 1040308045 /nfs/dbraw/zinc/30/80/45/1040308045.db2.gz FFSWCYACAJPTSC-XEKKVZFQSA-N -1 1 384.428 3.949 20 30 GHEDMM COc1cc([O-])cc(O[C@@H]2CCCCC2=O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC001234780335 1040309562 /nfs/dbraw/zinc/30/95/62/1040309562.db2.gz SBBNJKRDXQNJHG-UFUQCMIWSA-N -1 1 382.412 3.893 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(F)c1 ZINC001258283380 1044491568 /nfs/dbraw/zinc/49/15/68/1044491568.db2.gz UHSNYZNODWJHIY-UHFFFAOYSA-N -1 1 391.424 3.845 20 30 GHEDMM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1Cl ZINC001259013179 1044925876 /nfs/dbraw/zinc/92/58/76/1044925876.db2.gz FHRHZBUUSJHKRZ-UHFFFAOYSA-N -1 1 391.257 3.514 20 30 GHEDMM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1F)c1cc(F)c(F)cc1F ZINC001259041837 1044931288 /nfs/dbraw/zinc/93/12/88/1044931288.db2.gz HYKPYBYTWWYRPG-UHFFFAOYSA-N -1 1 387.276 3.740 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(Br)c1 ZINC001259073792 1044948678 /nfs/dbraw/zinc/94/86/78/1044948678.db2.gz DKRJSOVPUGMOEA-UHFFFAOYSA-N -1 1 391.168 3.539 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(C)c1Br ZINC001259419120 1045139746 /nfs/dbraw/zinc/13/97/46/1045139746.db2.gz KAZBDYBAQATBGE-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM O=S(=O)([N-]Cc1cc(F)ccc1C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC001259503142 1045207951 /nfs/dbraw/zinc/20/79/51/1045207951.db2.gz ISYPOUFHNLTZHO-UHFFFAOYSA-N -1 1 387.276 3.740 20 30 GHEDMM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC001259512662 1045214575 /nfs/dbraw/zinc/21/45/75/1045214575.db2.gz TYZKGAVWTWDBSV-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1 ZINC001259676051 1045265345 /nfs/dbraw/zinc/26/53/45/1045265345.db2.gz PKEPYZPWDWPHBU-MRXNPFEDSA-N -1 1 397.500 3.733 20 30 GHEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1C#N ZINC001260370502 1045477996 /nfs/dbraw/zinc/47/79/96/1045477996.db2.gz YGUOPUPKOWGICL-UHFFFAOYSA-N -1 1 384.244 3.624 20 30 GHEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC001260854812 1045715021 /nfs/dbraw/zinc/71/50/21/1045715021.db2.gz VCRIGXZZHHKZKA-UHFFFAOYSA-N -1 1 383.242 3.823 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)cc1[O-] ZINC001301687951 1046658924 /nfs/dbraw/zinc/65/89/24/1046658924.db2.gz INAWGJIKRIYZLE-HSZRJFAPSA-N -1 1 398.462 3.805 20 30 GHEDMM Cc1cc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c(C)n1Cc1ccccn1 ZINC001263375053 1046759947 /nfs/dbraw/zinc/75/99/47/1046759947.db2.gz DUGUJQVUGKKLEL-IBGZPJMESA-N -1 1 396.454 3.564 20 30 GHEDMM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001309127271 1050383880 /nfs/dbraw/zinc/38/38/80/1050383880.db2.gz CUCABPKORHCHPL-QWRGUYRKSA-N -1 1 389.290 3.564 20 30 GHEDMM CC(C)[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001309384616 1050664077 /nfs/dbraw/zinc/66/40/77/1050664077.db2.gz IVAQEIOOLIZWPQ-YLJYHZDGSA-N -1 1 399.472 3.704 20 30 GHEDMM CSc1nc(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(=O)[n-]1 ZINC001310303395 1051280051 /nfs/dbraw/zinc/28/00/51/1051280051.db2.gz HXOQGIYMKUEVBQ-NSHDSACASA-N -1 1 389.506 3.620 20 30 GHEDMM C#CC[C@@H](CC)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CC ZINC001342518228 1053212282 /nfs/dbraw/zinc/21/22/82/1053212282.db2.gz PROLUSIKNBQRFC-MRXNPFEDSA-N -1 1 380.492 3.620 20 30 GHEDMM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)[C@@H](C)c1ccco1 ZINC001342951897 1053455859 /nfs/dbraw/zinc/45/58/59/1053455859.db2.gz RGEQSFDPCXMDDV-ZDUSSCGKSA-N -1 1 380.452 3.685 20 30 GHEDMM C=C(C)Cn1c(C2CCCCC2)nnc1N1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC001343519780 1053835669 /nfs/dbraw/zinc/83/56/69/1053835669.db2.gz UBEAIKWWGOUGPY-INIZCTEOSA-N -1 1 398.511 3.748 20 30 GHEDMM C=C(C)Cn1c(-c2cnc(-c3cccnc3)[n-]c2=O)nnc1N(C)CC(C)(C)C ZINC001343657868 1053953458 /nfs/dbraw/zinc/95/34/58/1053953458.db2.gz XAUJLIHCSXBZFI-UHFFFAOYSA-N -1 1 393.495 3.561 20 30 GHEDMM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])c1ccc(CN2CCCCC2)o1 ZINC001344022898 1054195571 /nfs/dbraw/zinc/19/55/71/1054195571.db2.gz QGEYJCHTGOICMC-IBGZPJMESA-N -1 1 376.456 3.889 20 30 GHEDMM N#Cc1ccccc1Oc1ccccc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001319885393 1055521845 /nfs/dbraw/zinc/52/18/45/1055521845.db2.gz SQTBZBALYGCENB-UHFFFAOYSA-N -1 1 389.363 3.801 20 30 GHEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CC[C@H](c2nccs2)C1 ZINC001339821587 1059501408 /nfs/dbraw/zinc/50/14/08/1059501408.db2.gz DHGGTEXQDYYAJM-LBPRGKRZSA-N -1 1 387.896 3.941 20 30 GHEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC[C@@H](c2ccnn2C)C1 ZINC001340672402 1060036654 /nfs/dbraw/zinc/03/66/54/1060036654.db2.gz RSKCOPGTUDHCOT-CQSZACIVSA-N -1 1 398.898 3.608 20 30 GHEDMM C=CCn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N1CCC[C@@H]1c1ccsc1 ZINC001342040805 1061017482 /nfs/dbraw/zinc/01/74/82/1061017482.db2.gz VMICEMXBOSTRJI-MRXNPFEDSA-N -1 1 394.504 3.907 20 30 GHEDMM CC(C)[C@@H]1C[C@@H](C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CCO1 ZINC001345951929 1061237169 /nfs/dbraw/zinc/23/71/69/1061237169.db2.gz WALQVRCSRLXPNO-QEJZJMRPSA-N -1 1 399.516 3.903 20 30 GHEDMM Cc1ccc(-n2nc(Br)cc2C([O-])=C(C#N)c2cccc(F)n2)cc1 ZINC001347122707 1062138359 /nfs/dbraw/zinc/13/83/59/1062138359.db2.gz GUTMPPSMRSQWRH-CYBMUJFWSA-N -1 1 399.223 3.967 20 30 GHEDMM N#C[C@@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)c1ccc(Cl)cc1 ZINC001435824987 1062949802 /nfs/dbraw/zinc/94/98/02/1062949802.db2.gz JHSZJFAWBWBZFK-OAHLLOKOSA-N -1 1 387.777 3.529 20 30 GHEDMM CC(=Cc1cccnc1)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000847619923 1065767380 /nfs/dbraw/zinc/76/73/80/1065767380.db2.gz OPMQOMVODTZUSR-HMVFGEFZSA-N -1 1 390.468 3.950 20 30 GHEDMM C=CC(C)(C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC001466349104 1066106132 /nfs/dbraw/zinc/10/61/32/1066106132.db2.gz SDWFXMQXWZWBOP-UHFFFAOYSA-N -1 1 394.880 3.997 20 30 GHEDMM C=CCCC[C@@H](NC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)c1ccccc1 ZINC001471203299 1072965227 /nfs/dbraw/zinc/96/52/27/1072965227.db2.gz KOCLOPLSXWQZSL-VQIMIIECSA-N -1 1 397.441 3.937 20 30 GHEDMM N#Cc1ccsc1N1CC[C@H](Sc2nc(-c3ccccc3)cc(=O)[n-]2)C1=O ZINC001473094174 1073778915 /nfs/dbraw/zinc/77/89/15/1073778915.db2.gz KAVXODFBQRTSRY-HNNXBMFYSA-N -1 1 394.481 3.680 20 30 GHEDMM Cc1ccc(CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C2CC2)cc1 ZINC000737330044 599151108 /nfs/dbraw/zinc/15/11/08/599151108.db2.gz OZYLWEJQYPNJEK-UHFFFAOYSA-N -1 1 379.468 3.881 20 30 GHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2Cc2ccccc2)o1 ZINC000735657190 599285125 /nfs/dbraw/zinc/28/51/25/599285125.db2.gz QLCMKEIADMCQLI-AWEZNQCLSA-N -1 1 379.468 3.963 20 30 GHEDMM Cn1nc(-c2ccccc2)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1Cl ZINC000826365970 608092806 /nfs/dbraw/zinc/09/28/06/608092806.db2.gz MJYRRDLWGDCVLI-BQYQJAHWSA-N -1 1 396.863 3.878 20 30 GHEDMM Cn1nc(-c2ccccc2)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1Cl ZINC000826365970 608092807 /nfs/dbraw/zinc/09/28/07/608092807.db2.gz MJYRRDLWGDCVLI-BQYQJAHWSA-N -1 1 396.863 3.878 20 30 GHEDMM Cc1nn(-c2ccccc2)c(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826333110 608093768 /nfs/dbraw/zinc/09/37/68/608093768.db2.gz UMWMMFNPLSWART-FPLPWBNLSA-N -1 1 396.863 3.972 20 30 GHEDMM Cc1nn(-c2ccccc2)c(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826333110 608093769 /nfs/dbraw/zinc/09/37/69/608093769.db2.gz UMWMMFNPLSWART-FPLPWBNLSA-N -1 1 396.863 3.972 20 30 GHEDMM O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399776 608093821 /nfs/dbraw/zinc/09/38/21/608093821.db2.gz FSWQYQXGSQLFFN-FNORWQNLSA-N -1 1 393.384 3.993 20 30 GHEDMM O=C(C=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399776 608093822 /nfs/dbraw/zinc/09/38/22/608093822.db2.gz FSWQYQXGSQLFFN-FNORWQNLSA-N 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GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(C)cc1Br ZINC000567423835 864736315 /nfs/dbraw/zinc/73/63/15/864736315.db2.gz FCUNKZLZZOVKPP-UHFFFAOYSA-N -1 1 379.279 3.933 20 30 GHEDMM N#C[C@H](C(=O)c1cccc2cc[nH]c21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000173916983 865235851 /nfs/dbraw/zinc/23/58/51/865235851.db2.gz TYCXQPUNSGWEJD-CQSZACIVSA-N -1 1 388.452 3.835 20 30 GHEDMM C=CCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000063851412 865468749 /nfs/dbraw/zinc/46/87/49/865468749.db2.gz ZNCSXLWJELRNQD-UHFFFAOYSA-N -1 1 398.406 3.678 20 30 GHEDMM CCC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000608815826 865747287 /nfs/dbraw/zinc/74/72/87/865747287.db2.gz JNPWKDUEOFOKAH-MRXNPFEDSA-N -1 1 391.880 3.563 20 30 GHEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)=O)cs2)cc1Cl ZINC000741111690 866230074 /nfs/dbraw/zinc/23/00/74/866230074.db2.gz VYNCLTKJTPLTHL-GFCCVEGCSA-N -1 1 376.821 3.574 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000920327362 882048765 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CCOC(=O)c1sc2ccsc2c1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000442966543 869154345 /nfs/dbraw/zinc/15/43/45/869154345.db2.gz RXCCXHQDJDTBCG-UHFFFAOYSA-N -1 1 386.454 3.647 20 30 GHEDMM Cc1cc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1Cl ZINC000133551112 882272391 /nfs/dbraw/zinc/27/23/91/882272391.db2.gz OJWOAZBAZJUKKX-UHFFFAOYSA-N -1 1 386.216 3.883 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)cc1 ZINC000069674010 871364514 /nfs/dbraw/zinc/36/45/14/871364514.db2.gz HLJVKETYDPAEBC-UHFFFAOYSA-N -1 1 388.452 3.757 20 30 GHEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc(N(C)Cc3ccccc3)cc2)cc1C#N ZINC000794016658 882537254 /nfs/dbraw/zinc/53/72/54/882537254.db2.gz FMKRAJGDUYFOCS-UHFFFAOYSA-N -1 1 392.484 3.699 20 30 GHEDMM N#CCc1cc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)ccc1F ZINC001194506185 871755207 /nfs/dbraw/zinc/75/52/07/871755207.db2.gz BEWOHYLGMROECQ-UHFFFAOYSA-N -1 1 375.812 3.894 20 30 GHEDMM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1F ZINC001195456441 872401030 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912404805 /nfs/dbraw/zinc/40/48/05/912404805.db2.gz YUVQMWDOGIPHGN-UHFFFAOYSA-N -1 1 387.233 3.705 20 30 GHEDMM C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000791202562 880244279 /nfs/dbraw/zinc/24/42/79/880244279.db2.gz PQIRBYWHBWBNRZ-QGZVFWFLSA-N -1 1 384.501 3.636 20 30 GHEDMM C#C[C@@H](CCC)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000791205749 880277528 /nfs/dbraw/zinc/27/75/28/880277528.db2.gz VZEOAYKERJUOQS-SFHVURJKSA-N -1 1 384.501 3.636 20 30 GHEDMM N#CC1(CNC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])CCCCC1 ZINC000855957213 880871578 /nfs/dbraw/zinc/87/15/78/880871578.db2.gz MPPCEUMHBOYPMC-UHFFFAOYSA-N -1 1 399.369 3.707 20 30 GHEDMM CCc1cccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n1 ZINC000453591716 881111275 /nfs/dbraw/zinc/11/12/75/881111275.db2.gz QKCURCWXIXPIDG-CYBMUJFWSA-N -1 1 378.457 3.723 20 30 GHEDMM C=CCC(CC=C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000129967057 884009210 /nfs/dbraw/zinc/00/92/10/884009210.db2.gz SOXLZTIOOVTXHD-UHFFFAOYSA-N -1 1 384.501 3.872 20 30 GHEDMM N#C[C@H](C(=O)c1csc(C2CC2)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000194987944 886011492 /nfs/dbraw/zinc/01/14/92/886011492.db2.gz ZTQCQPXWKYCANU-LLVKDONJSA-N -1 1 396.497 3.687 20 30 GHEDMM Cc1ccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1C ZINC000153570349 886366694 /nfs/dbraw/zinc/36/66/94/886366694.db2.gz DEQFFUDUKUXRNK-HNNXBMFYSA-N -1 1 392.484 3.726 20 30 GHEDMM Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000809726107 887754860 /nfs/dbraw/zinc/75/48/60/887754860.db2.gz JBGROEGVCQMMEY-QHCPKHFHSA-N -1 1 386.451 3.948 20 30 GHEDMM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000496359759 888734768 /nfs/dbraw/zinc/73/47/68/888734768.db2.gz UIMZPADASLIPIC-HNNXBMFYSA-N -1 1 379.370 3.859 20 30 GHEDMM C[C@H]1CCC[C@H](C(=O)N([O-])C(=Nc2ccc(F)c(Cl)c2)c2nonc2N)C1 ZINC001184503826 913280065 /nfs/dbraw/zinc/28/00/65/913280065.db2.gz RCBQLDSJIAQBDO-UWVGGRQHSA-N -1 1 395.822 3.567 20 30 GHEDMM O=c1nc(N=NC2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)nc2[nH][n-]cc1-2 ZINC000747631429 888874395 /nfs/dbraw/zinc/87/43/95/888874395.db2.gz NPACSUQUSRZLDC-LBPRGKRZSA-N -1 1 390.369 3.577 20 30 GHEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121727948 889110528 /nfs/dbraw/zinc/11/05/28/889110528.db2.gz RBUNBZHFVLHMKO-OAHLLOKOSA-N -1 1 375.384 3.701 20 30 GHEDMM Cc1cc(C(C#N)=C([O-])C2=Cc3cc(Br)ccc3OC2)nc(C)n1 ZINC000916880754 890323711 /nfs/dbraw/zinc/32/37/11/890323711.db2.gz XAGXNIFRBHSERR-HNNXBMFYSA-N -1 1 384.233 3.508 20 30 GHEDMM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1noc2c1CCCC2 ZINC000916888836 890332284 /nfs/dbraw/zinc/33/22/84/890332284.db2.gz ZZMKBWJYPBWGCA-CYBMUJFWSA-N -1 1 391.399 3.829 20 30 GHEDMM N#Cc1cccc(O[N-]C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC001151431489 913569491 /nfs/dbraw/zinc/56/94/91/913569491.db2.gz ACJSWAOBYZJRFH-UHFFFAOYSA-N -1 1 375.340 3.983 20 30 GHEDMM CC(C)CN(CCC#N)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000813426055 891642050 /nfs/dbraw/zinc/64/20/50/891642050.db2.gz XRWNMYXRYAEJFR-UHFFFAOYSA-N -1 1 376.254 3.715 20 30 GHEDMM C=CCOc1c(Br)cc(CN2CCC[C@H](C(=O)[O-])[C@@H]2C)cc1OC ZINC000263063082 892419281 /nfs/dbraw/zinc/41/92/81/892419281.db2.gz NCYLWNORFPFXDJ-JSGCOSHPSA-N -1 1 398.297 3.708 20 30 GHEDMM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000917732535 892477069 /nfs/dbraw/zinc/47/70/69/892477069.db2.gz ZESXSZPGOJPEGZ-YHYXMXQVSA-N -1 1 390.848 3.589 20 30 GHEDMM CC(N=Nc1ccc(Br)nc1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814847253 893234510 /nfs/dbraw/zinc/23/45/10/893234510.db2.gz GDWRPGBUQZBBGS-UHFFFAOYSA-N -1 1 392.253 3.924 20 30 GHEDMM COc1ccc2ncc(C#N)c(N3CCC(C(=O)c4ccc([O-])cc4)CC3)c2c1 ZINC000645196474 913747711 /nfs/dbraw/zinc/74/77/11/913747711.db2.gz RSWKKQHFKBJVNP-UHFFFAOYSA-N -1 1 387.439 3.920 20 30 GHEDMM CC(C)Cn1nccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000566009184 896045806 /nfs/dbraw/zinc/04/58/06/896045806.db2.gz HBHKIHBXWPMRQV-ZDUSSCGKSA-N -1 1 395.488 3.618 20 30 GHEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(N=S(C)(C)=O)cc2)cc1 ZINC000882727352 896937004 /nfs/dbraw/zinc/93/70/04/896937004.db2.gz UEFXRJGGCDRLPY-UHFFFAOYSA-N -1 1 391.518 3.648 20 30 GHEDMM C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000805784809 898275139 /nfs/dbraw/zinc/27/51/39/898275139.db2.gz SJLYAQWLKYOQLL-MRXNPFEDSA-N -1 1 387.277 3.589 20 30 GHEDMM CC1(C)CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H]1C#N ZINC000332534484 899744997 /nfs/dbraw/zinc/74/49/97/899744997.db2.gz SNGBOCBGABNMBW-LJQANCHMSA-N -1 1 397.500 3.642 20 30 GHEDMM C=CCn1c(-c2sc(NC(=O)c3ccc(Cl)cn3)nc2C)n[n-]c1=S ZINC000134884813 900140605 /nfs/dbraw/zinc/14/06/05/900140605.db2.gz WTEIQWXRLGZIGO-UHFFFAOYSA-N -1 1 392.897 3.859 20 30 GHEDMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)ccc2n1C ZINC000573400900 900497263 /nfs/dbraw/zinc/49/72/63/900497263.db2.gz WVNOTAFBEOUZHW-UHFFFAOYSA-N -1 1 394.378 3.573 20 30 GHEDMM CCc1nc(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000575332454 901198198 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GHEDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)cc1 ZINC000901605100 921391615 /nfs/dbraw/zinc/39/16/15/921391615.db2.gz HAWORMVWYGIESK-UHFFFAOYSA-N -1 1 399.516 3.862 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccs4)nc3c2)cc1 ZINC000195662834 909029829 /nfs/dbraw/zinc/02/98/29/909029829.db2.gz JKOCGDLJWZZEHB-UHFFFAOYSA-N -1 1 380.454 3.964 20 30 GHEDMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1F ZINC000795385577 910141062 /nfs/dbraw/zinc/14/10/62/910141062.db2.gz ATWZSWLLCAERAX-VIFPVBQESA-N -1 1 388.342 3.570 20 30 GHEDMM CC(C)(C#N)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC001187581651 915376094 /nfs/dbraw/zinc/37/60/94/915376094.db2.gz OHTDWYSNGCPEJZ-UHFFFAOYSA-N -1 1 378.837 3.640 20 30 GHEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC001188578235 916063067 /nfs/dbraw/zinc/06/30/67/916063067.db2.gz GVXHXDGJSZVMHD-VIFPVBQESA-N -1 1 395.250 3.520 20 30 GHEDMM C[C@@H]1CC[C@H](CCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)O1 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376.453 3.711 20 30 GHEDMM C[C@H]1c2c(C#N)c([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc2CC[C@@H]1C ZINC000410981507 925972611 /nfs/dbraw/zinc/97/26/11/925972611.db2.gz HCCNEAFVRLFMOC-VHSXEESVSA-N -1 1 378.475 3.554 20 30 GHEDMM C[C@H]1C(=O)Nc2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc2N1C ZINC000750682044 927793723 /nfs/dbraw/zinc/79/37/23/927793723.db2.gz TUDXYOUWDYBREU-AAEUAGOBSA-N -1 1 376.441 3.563 20 30 GHEDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C(C)C)cc1 ZINC000467143360 928752295 /nfs/dbraw/zinc/75/22/95/928752295.db2.gz YMIWSZATEQSXOT-KRWDZBQOSA-N -1 1 380.416 3.521 20 30 GHEDMM C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000757426237 929707839 /nfs/dbraw/zinc/70/78/39/929707839.db2.gz ZYFFCVUMTDMINP-LLVKDONJSA-N -1 1 382.844 3.584 20 30 GHEDMM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)cs2)cc1 ZINC000759429715 930365387 /nfs/dbraw/zinc/36/53/87/930365387.db2.gz AFHNBPTWUSMEMS-CYBMUJFWSA-N -1 1 376.821 3.539 20 30 GHEDMM C=CCN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 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GHEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1 ZINC000593200966 857391117 /nfs/dbraw/zinc/39/11/17/857391117.db2.gz TWICICBHCOQDGO-UHFFFAOYSA-N -1 1 383.473 3.637 20 30 GHEDMM N#C[C@@H](C(=O)c1occ2c1CCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000671745939 857798845 /nfs/dbraw/zinc/79/88/45/857798845.db2.gz ZXEBOXNZJYPQGX-ZDUSSCGKSA-N -1 1 379.441 3.847 20 30 GHEDMM CCc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nn1-c1ccccc1F ZINC000442734174 858080387 /nfs/dbraw/zinc/08/03/87/858080387.db2.gz CWZXPZLUSDJYTL-ZDUSSCGKSA-N -1 1 388.406 3.644 20 30 GHEDMM COc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc(Cl)c1[O-] ZINC000442865532 858184697 /nfs/dbraw/zinc/18/46/97/858184697.db2.gz UGYFIXVSFUDWPY-CYBMUJFWSA-N -1 1 395.640 3.811 20 30 GHEDMM N#Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1[O-] ZINC000442876700 858198499 /nfs/dbraw/zinc/19/84/99/858198499.db2.gz VRHIGSBKFPPMAO-QGZVFWFLSA-N -1 1 387.842 3.623 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(C)(C)CC#N)c2)cc1 ZINC000764834428 859623022 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CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NO)c2)cc1 ZINC000742823615 867577078 /nfs/dbraw/zinc/57/70/78/867577078.db2.gz CCZRBGYXPKFNBP-UHFFFAOYSA-N -1 1 382.869 3.602 20 30 GHEDMM CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000190644922 882228757 /nfs/dbraw/zinc/22/87/57/882228757.db2.gz BRFQUMGGLSYCGK-CQSZACIVSA-N -1 1 380.448 3.629 20 30 GHEDMM N#Cc1cnnc(-c2ccccc2)c1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193735837 871251812 /nfs/dbraw/zinc/25/18/12/871251812.db2.gz UBMXBBBWSRQRQU-UHFFFAOYSA-N -1 1 384.317 3.992 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C(=O)N1CCCCC1 ZINC000447266811 871289715 /nfs/dbraw/zinc/28/97/15/871289715.db2.gz YKNPBHDXYJAUBM-UHFFFAOYSA-N -1 1 397.500 3.602 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CC(=O)OC(C)(C)C)c1 ZINC000525741903 871330112 /nfs/dbraw/zinc/33/01/12/871330112.db2.gz IFLMUUKQIDUSRF-UHFFFAOYSA-N -1 1 386.473 3.552 20 30 GHEDMM COc1cc(C(=O)NCCSCc2ccccc2C#N)cc(Cl)c1[O-] ZINC000525953780 871757628 /nfs/dbraw/zinc/75/76/28/871757628.db2.gz ZDQQMOLEEIFUAU-UHFFFAOYSA-N -1 1 376.865 3.589 20 30 GHEDMM COc1cccc(S(C)(=O)=O)c1N=NCc1cc(Cl)cc(Cl)c1[O-] ZINC000767395403 872492032 /nfs/dbraw/zinc/49/20/32/872492032.db2.gz ZZOJZKGVDNQFNG-UHFFFAOYSA-N -1 1 389.260 3.557 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c1 ZINC000619463486 872660074 /nfs/dbraw/zinc/66/00/74/872660074.db2.gz HRDHLZZJDOKYQN-UHFFFAOYSA-N -1 1 385.670 3.969 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000619781495 872995606 /nfs/dbraw/zinc/99/56/06/872995606.db2.gz IRKHTFJLSRHIKJ-GOSISDBHSA-N -1 1 378.325 3.994 20 30 GHEDMM COC(=O)/C=C/c1ccc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)nc1 ZINC001196308937 873001534 /nfs/dbraw/zinc/00/15/34/873001534.db2.gz FNOBSKNOGMOSCM-SOFGYWHQSA-N -1 1 399.406 3.764 20 30 GHEDMM CC1(C)COc2cc(NC(=O)c3cc([O-])cc(-c4cccc(C#N)c4)c3)nn2C1 ZINC001196309108 873003453 /nfs/dbraw/zinc/00/34/53/873003453.db2.gz MCWVOMXXWVMWKL-UHFFFAOYSA-N -1 1 388.427 3.798 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccc4c(=O)[nH]c(=O)[nH]c4c3)c2)c1 ZINC001196318005 873027450 /nfs/dbraw/zinc/02/74/50/873027450.db2.gz AVLKKUKANQOVLC-UHFFFAOYSA-N -1 1 398.378 3.538 20 30 GHEDMM N#Cc1ccc(C2([NH2+]Cc3cccc(O)c3Br)CCOCC2)cc1 ZINC000527809620 873594609 /nfs/dbraw/zinc/59/46/09/873594609.db2.gz LDPAKLHEAPFKTB-UHFFFAOYSA-N -1 1 387.277 3.822 20 30 GHEDMM N#Cc1ccc(-c2ccc(C(=O)[N-]c3nonc3-c3nc4ccccc4[nH]3)o2)cc1 ZINC001197387579 873758733 /nfs/dbraw/zinc/75/87/33/873758733.db2.gz LZFBZSQZFOORRG-UHFFFAOYSA-N -1 1 396.366 3.997 20 30 GHEDMM Cn1ncc2c1nc(N=NC1CCCc3cc(SC(F)F)ccc31)[n-]c2=O ZINC000769817675 874283385 /nfs/dbraw/zinc/28/33/85/874283385.db2.gz BTNGPRYUKOMZIT-UHFFFAOYSA-N -1 1 390.419 3.536 20 30 GHEDMM C[C@H]1CCc2c(F)cccc2C1N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1 ZINC000769793303 874293549 /nfs/dbraw/zinc/29/35/49/874293549.db2.gz QDACBBRLLBYEFT-NSHDSACASA-N -1 1 382.443 3.825 20 30 GHEDMM CC(=O)c1cc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201294633 875614242 /nfs/dbraw/zinc/61/42/42/875614242.db2.gz BDHIQPTUWMSKRU-UHFFFAOYSA-N -1 1 384.244 3.572 20 30 GHEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(Cl)cc1C#N ZINC000772035605 875623594 /nfs/dbraw/zinc/62/35/94/875623594.db2.gz LCYWDGHHMIZNKG-UHFFFAOYSA-N -1 1 392.864 3.720 20 30 GHEDMM O=C(Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1cccc2cc[nH]c21 ZINC001201315655 875627238 /nfs/dbraw/zinc/62/72/38/875627238.db2.gz LESODGIGTRJQMO-SSDVNMTOSA-N -1 1 389.440 3.955 20 30 GHEDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(C)cc1Br ZINC001201322342 875632320 /nfs/dbraw/zinc/63/23/20/875632320.db2.gz JIYULBTZLMLCDI-UHFFFAOYSA-N -1 1 395.278 3.747 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CN4C=CSC4=N3)c2)cc1C#N ZINC001201322521 875633438 /nfs/dbraw/zinc/63/34/38/875633438.db2.gz NCTAGAZIXAHPDJ-SFHVURJKSA-N -1 1 396.497 3.598 20 30 GHEDMM C[C@H](C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1F ZINC000109038339 876579501 /nfs/dbraw/zinc/57/95/01/876579501.db2.gz JHKGROCPCVUATH-SMDDNHRTSA-N -1 1 395.459 3.982 20 30 GHEDMM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(Br)cc1 ZINC000786869918 876993150 /nfs/dbraw/zinc/99/31/50/876993150.db2.gz QBCQQRHUDVYQPO-ZDUSSCGKSA-N -1 1 380.192 3.625 20 30 GHEDMM N#Cc1cccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000531387536 879761083 /nfs/dbraw/zinc/76/10/83/879761083.db2.gz QTFRPVZRYJDSJZ-UHFFFAOYSA-N -1 1 391.452 3.540 20 30 GHEDMM C[C@H](C(=O)N([O-])C(=N)c1ccccc1N)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC001183449179 912540539 /nfs/dbraw/zinc/54/05/39/912540539.db2.gz YGVPCOLYHLCQMY-WMLDXEAASA-N -1 1 379.460 3.527 20 30 GHEDMM C=CCn1c(Cc2csc(NC(=O)[C@@H](C)Cc3ccccc3)n2)n[n-]c1=S ZINC000112114080 883168779 /nfs/dbraw/zinc/16/87/79/883168779.db2.gz JMDHAARRLDRPET-ZDUSSCGKSA-N -1 1 399.545 3.991 20 30 GHEDMM O=S1(=O)[N-]C(=NN=Cc2cccc(Oc3ccccc3)c2)c2ccccc21 ZINC000914599899 884306368 /nfs/dbraw/zinc/30/63/68/884306368.db2.gz NRMHAZPSAXMHGD-UHFFFAOYSA-N -1 1 377.425 3.552 20 30 GHEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000117319615 884445624 /nfs/dbraw/zinc/44/56/24/884445624.db2.gz VNLZCOYWENECPU-UHFFFAOYSA-N -1 1 382.449 3.557 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2N2CCCCC2)n1 ZINC000556887904 886443223 /nfs/dbraw/zinc/44/32/23/886443223.db2.gz OBMNUXRZEVQWED-HNNXBMFYSA-N -1 1 383.473 3.800 20 30 GHEDMM C=CCn1c(Cc2csc(NC(=O)[C@@H](C)c3ccsc3)n2)n[n-]c1=S ZINC000130381860 886445336 /nfs/dbraw/zinc/44/53/36/886445336.db2.gz FEZIZJJZVSDJOX-JTQLQIEISA-N -1 1 391.547 3.978 20 30 GHEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000057123562 886472592 /nfs/dbraw/zinc/47/25/92/886472592.db2.gz QESQUVXENLIQHX-UHFFFAOYSA-N -1 1 384.501 3.918 20 30 GHEDMM C[C@H](C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1)c1ccc(O)cc1 ZINC001184277842 913127702 /nfs/dbraw/zinc/12/77/02/913127702.db2.gz ICWCCFDWXZOOOT-OVMKCGGTSA-N -1 1 394.456 3.669 20 30 GHEDMM CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000809647033 887653081 /nfs/dbraw/zinc/65/30/81/887653081.db2.gz LFBOUQDGKDGVSH-LPHOPBHVSA-N -1 1 399.491 3.516 20 30 GHEDMM N#Cc1cnc(C(=O)[N-]c2nnc(-c3c(F)cccc3F)s2)c(Cl)c1 ZINC001132005466 888066848 /nfs/dbraw/zinc/06/68/48/888066848.db2.gz QGSJBTGYOZMXQA-UHFFFAOYSA-N -1 1 377.763 3.656 20 30 GHEDMM C#CCN(C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)C1CCCC1 ZINC000810202743 888313433 /nfs/dbraw/zinc/31/34/33/888313433.db2.gz NJUSTMPXXOJNQZ-UHFFFAOYSA-N -1 1 397.500 3.897 20 30 GHEDMM C=C(C)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000916587821 889147520 /nfs/dbraw/zinc/14/75/20/889147520.db2.gz FVXPOISXCQAILD-UHFFFAOYSA-N -1 1 375.446 3.619 20 30 GHEDMM C#CCN1CC2(CCC1=O)CCN(Cc1cc(Cl)c([O-])c(Cl)c1)CC2 ZINC001275321414 913334868 /nfs/dbraw/zinc/33/48/68/913334868.db2.gz BJXHXYQWBTUNJN-UHFFFAOYSA-N -1 1 381.303 3.537 20 30 GHEDMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000811835838 890020945 /nfs/dbraw/zinc/02/09/45/890020945.db2.gz QJXMAJPGAPWWJQ-UHFFFAOYSA-N -1 1 375.759 3.735 20 30 GHEDMM CCOC1CC2(C[C@H]2C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)C1 ZINC000870124511 890222737 /nfs/dbraw/zinc/22/27/37/890222737.db2.gz YHMAPJIUUYWXJH-WCEXPDGASA-N -1 1 397.500 3.657 20 30 GHEDMM N#CC(=C([O-])c1cccc(-c2ccoc2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000127706958 891216477 /nfs/dbraw/zinc/21/64/77/891216477.db2.gz WFGJOAYSEXKWHQ-GOSISDBHSA-N -1 1 396.410 3.947 20 30 GHEDMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C#N)c2)c1 ZINC000872352821 891244441 /nfs/dbraw/zinc/24/44/41/891244441.db2.gz IHBWZFLOIICSTD-RUZDIDTESA-N -1 1 394.493 3.545 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)CC(C)(C)C#N)cc2)cc1C ZINC000497395202 891528227 /nfs/dbraw/zinc/52/82/27/891528227.db2.gz MMSWFOWNNJPMTM-UHFFFAOYSA-N -1 1 399.516 3.726 20 30 GHEDMM CC(N=Nc1ccc(Br)nc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814847534 893235433 /nfs/dbraw/zinc/23/54/33/893235433.db2.gz RSYANDSVUSBWOP-NSHDSACASA-N -1 1 378.226 3.532 20 30 GHEDMM CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000129832849 894001805 /nfs/dbraw/zinc/00/18/05/894001805.db2.gz ZTXLCFHYHAJZTB-UHFFFAOYSA-N -1 1 378.837 3.640 20 30 GHEDMM N#Cc1cc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(F)cc1F ZINC000880715466 895826367 /nfs/dbraw/zinc/82/63/67/895826367.db2.gz TYVJOULJODRFEJ-UHFFFAOYSA-N -1 1 385.370 3.669 20 30 GHEDMM N#CC(=C([O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc2ccccc2s1 ZINC000041499377 896346274 /nfs/dbraw/zinc/34/62/74/896346274.db2.gz UZTOJHKNSYLNQR-RDJZCZTQSA-N -1 1 391.452 3.904 20 30 GHEDMM CCCCCCCCc1nnc([N-]C(=O)c2coc(S(C)(=O)=O)c2)s1 ZINC000844313596 900671407 /nfs/dbraw/zinc/67/14/07/900671407.db2.gz MBXGBJUDUJFDFQ-UHFFFAOYSA-N -1 1 385.511 3.690 20 30 GHEDMM CCOc1cc(Br)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000577615791 902955680 /nfs/dbraw/zinc/95/56/80/902955680.db2.gz ZVKHNRZBCOSOJZ-UHFFFAOYSA-N -1 1 375.288 3.529 20 30 GHEDMM O=S(=O)(Cc1cccc(/N=C/c2ccc(O)c([O-])c2O)c1)C1CCCCC1 ZINC000264734718 903348036 /nfs/dbraw/zinc/34/80/36/903348036.db2.gz DMOAYIVPCFLJMD-CIAFOILYSA-N -1 1 389.473 3.802 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1C(F)(F)F ZINC000578293441 903702404 /nfs/dbraw/zinc/70/24/04/903702404.db2.gz SKBPJDALMIOUON-AWEZNQCLSA-N -1 1 396.390 3.882 20 30 GHEDMM COc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1[N+](=O)[O-] ZINC001176361100 908073399 /nfs/dbraw/zinc/07/33/99/908073399.db2.gz NJQQFGBUTSEUCM-VXLYETTFSA-N -1 1 397.416 3.882 20 30 GHEDMM COc1ccc(CCC=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)c(C)c1 ZINC000777437020 908121697 /nfs/dbraw/zinc/12/16/97/908121697.db2.gz LNHIGCREBRWLJK-UHFFFAOYSA-N -1 1 382.468 3.634 20 30 GHEDMM CS[C@@H](C)CCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000773760732 909169423 /nfs/dbraw/zinc/16/94/23/909169423.db2.gz PCHOWPYZLQEYQA-JQWIXIFHSA-N -1 1 375.519 3.984 20 30 GHEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnc(Oc2ccccc2)cn1 ZINC000773772954 909258948 /nfs/dbraw/zinc/25/89/48/909258948.db2.gz YNOYUUUEKAZWFQ-CQSZACIVSA-N -1 1 392.802 3.883 20 30 GHEDMM COC[C@@H]([N-]S(=O)(=O)c1c(C#N)sc2ccccc21)c1ccc(F)cc1 ZINC001187480603 915303783 /nfs/dbraw/zinc/30/37/83/915303783.db2.gz WNBRAWGUHAHKNU-OAHLLOKOSA-N -1 1 390.461 3.578 20 30 GHEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3C3CC3)cc2C[C@H]1C ZINC000901973343 921781214 /nfs/dbraw/zinc/78/12/14/921781214.db2.gz QDQPENQUMAWWLK-CYBMUJFWSA-N -1 1 395.484 3.534 20 30 GHEDMM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2ccc(F)cc2F)nc1 ZINC001189831017 916953356 /nfs/dbraw/zinc/95/33/56/916953356.db2.gz HEFSWRRCZGYPKH-UHFFFAOYSA-N -1 1 385.395 3.840 20 30 GHEDMM O=S(=O)([N-][C@@H](C1CCC1)C(F)(F)F)c1cc(F)cc(C(F)(F)F)c1 ZINC001189993143 917051383 /nfs/dbraw/zinc/05/13/83/917051383.db2.gz HMHGXPVXXWQVGQ-NSHDSACASA-N -1 1 379.297 3.854 20 30 GHEDMM CC1(C)CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001190612052 917447469 /nfs/dbraw/zinc/44/74/69/917447469.db2.gz LFWMLAQDAPPTET-LLVKDONJSA-N -1 1 389.290 3.564 20 30 GHEDMM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccccc3C(F)(F)F)CC2)c1 ZINC001190669208 917457603 /nfs/dbraw/zinc/45/76/03/917457603.db2.gz KGZFWNVMENLQTC-UHFFFAOYSA-N -1 1 384.354 3.684 20 30 GHEDMM C[C@](C#N)([N-]S(=O)(=O)Cc1ccc(Cl)cc1F)c1ccccc1Cl ZINC001191917383 918297011 /nfs/dbraw/zinc/29/70/11/918297011.db2.gz SSLGZSKPVGTLCI-MRXNPFEDSA-N -1 1 387.263 3.991 20 30 GHEDMM C[C@@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000113686138 919376946 /nfs/dbraw/zinc/37/69/46/919376946.db2.gz SHWFENVOJBDXKS-NSHDSACASA-N -1 1 396.827 3.739 20 30 GHEDMM CC(C)c1cccc(-n2cc([O-])c(C(=O)OCCCC3(C#N)CCOCC3)n2)c1 ZINC000801411737 921014164 /nfs/dbraw/zinc/01/41/64/921014164.db2.gz WYLMNYAHMJUEKD-UHFFFAOYSA-N -1 1 397.475 3.959 20 30 GHEDMM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3ccc(S(C)(=O)=O)o3)sc21 ZINC000410967770 925965152 /nfs/dbraw/zinc/96/51/52/925965152.db2.gz DLNRNQSUFHLOGB-VHSXEESVSA-N -1 1 378.475 3.554 20 30 GHEDMM COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000751517814 928232407 /nfs/dbraw/zinc/23/24/07/928232407.db2.gz NOTIJNYJCKFHBN-UHFFFAOYSA-N -1 1 399.350 3.556 20 30 GHEDMM COC(=O)[C@H](OC(=O)c1ccc(Cl)c(Cl)c1[O-])c1cccc(C#N)c1 ZINC000751658763 928306482 /nfs/dbraw/zinc/30/64/82/928306482.db2.gz DZXDOLAKJGVRND-OAHLLOKOSA-N -1 1 380.183 3.642 20 30 GHEDMM COC(=O)c1ccc(NN=Cc2cc(O)c([O-])c(Br)c2)cc1Cl ZINC000782240777 931135234 /nfs/dbraw/zinc/13/52/34/931135234.db2.gz LQGFAQGTYVSYST-UHFFFAOYSA-N -1 1 399.628 3.746 20 30 GHEDMM Cc1ccncc1C=CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000784821255 932008800 /nfs/dbraw/zinc/00/88/00/932008800.db2.gz OQVZJAKKSLCLQG-LQYUOIDQSA-N -1 1 390.468 3.869 20 30 GHEDMM CC(N=Nc1ccc(C#N)cc1C(F)(F)F)c1cccc(OCC(=O)[O-])c1 ZINC000799491361 933019293 /nfs/dbraw/zinc/01/92/93/933019293.db2.gz BVNUXQSHIFQSTI-UHFFFAOYSA-N -1 1 377.322 3.877 20 30 GHEDMM C/C(C=NN=C1[N-]S(=O)(=O)c2ccccc21)=C\c1ccccc1C(F)(F)F ZINC000799875141 933149029 /nfs/dbraw/zinc/14/90/29/933149029.db2.gz OEOWEHGRAFDBGU-SJLHFSNBSA-N -1 1 393.390 3.833 20 30 GHEDMM N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001605612378 973925899 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C#CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000790966850 880109474 /nfs/dbraw/zinc/10/94/74/880109474.db2.gz WJSJWFSBRQFGOJ-UHFFFAOYSA-N -1 1 398.528 3.799 20 30 GHEDMM C=CC[C@H]1CCCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000855439141 880514538 /nfs/dbraw/zinc/51/45/38/880514538.db2.gz WLRWOOGEIZBCEA-LBPRGKRZSA-N -1 1 386.370 3.931 20 30 GHEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc1C#N ZINC000476817049 883203191 /nfs/dbraw/zinc/20/31/91/883203191.db2.gz OXRVHOKABFBRHG-UHFFFAOYSA-N -1 1 394.460 3.542 20 30 GHEDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)o1 ZINC000609579694 883378325 /nfs/dbraw/zinc/37/83/25/883378325.db2.gz NQUALGNWXPQWIR-UHFFFAOYSA-N -1 1 378.475 3.528 20 30 GHEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCCC1)O2 ZINC000475786168 883786661 /nfs/dbraw/zinc/78/66/61/883786661.db2.gz LHBAAMRMFHXPSL-UHFFFAOYSA-N -1 1 384.457 3.985 20 30 GHEDMM C=C[C@H]1CCCCN1C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000494876304 884104433 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/nfs/dbraw/zinc/63/46/08/858634608.db2.gz BRBDNFUJGQWIGP-UHFFFAOYSA-N -1 1 383.376 3.988 20 30 GHEDMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000509387426 859272520 /nfs/dbraw/zinc/27/25/20/859272520.db2.gz UTTKUDYKBVGCTM-UHFFFAOYSA-N -1 1 379.279 3.933 20 30 GHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O ZINC000669648693 860188874 /nfs/dbraw/zinc/18/88/74/860188874.db2.gz TXIYTRGLRJYPLO-UHFFFAOYSA-N -1 1 384.501 3.905 20 30 GHEDMM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000189069569 881563000 /nfs/dbraw/zinc/56/30/00/881563000.db2.gz CEUPBHJITBCXET-LBPRGKRZSA-N -1 1 399.248 3.538 20 30 GHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1Br ZINC000391918708 860669951 /nfs/dbraw/zinc/66/99/51/860669951.db2.gz OYNNTGZGHOOEIR-UHFFFAOYSA-N -1 1 388.246 3.670 20 30 GHEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1OC(C)C ZINC000185632146 861096794 /nfs/dbraw/zinc/09/67/94/861096794.db2.gz PLFCOSGHEAVKRL-UHFFFAOYSA-N -1 1 380.853 3.808 20 30 GHEDMM C=CCCC1(CNC(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000665585603 864019759 /nfs/dbraw/zinc/01/97/59/864019759.db2.gz PFQVPWZVIOAMFN-UHFFFAOYSA-N -1 1 395.525 3.715 20 30 GHEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cccs3)n2)c1 ZINC000127133593 865222343 /nfs/dbraw/zinc/22/23/43/865222343.db2.gz OHRUFYPNLVTBIF-CYBMUJFWSA-N -1 1 383.454 3.841 20 30 GHEDMM C[C@@H](NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)c1cccc(C#N)c1 ZINC000608470579 865346029 /nfs/dbraw/zinc/34/60/29/865346029.db2.gz RCGQNLUAZYNWSP-OAHLLOKOSA-N -1 1 377.444 3.629 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(-n3cccc3)c2)n1 ZINC000920326647 882048282 /nfs/dbraw/zinc/04/82/82/882048282.db2.gz BYKDQVRVZCVEJL-OAHLLOKOSA-N -1 1 379.441 3.909 20 30 GHEDMM COc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccc1F ZINC000121331245 882077667 /nfs/dbraw/zinc/07/76/67/882077667.db2.gz RKWVXTMRBJZMBH-GFCCVEGCSA-N -1 1 397.431 3.501 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CCC#N)C(C)C)cc1 ZINC000523700852 867804511 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391.456 3.746 20 30 GHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)ccc1Cl ZINC001194372336 871644620 /nfs/dbraw/zinc/64/46/20/871644620.db2.gz SWKZKGWISUSEPL-UHFFFAOYSA-N -1 1 394.239 3.920 20 30 GHEDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000618974624 872202420 /nfs/dbraw/zinc/20/24/20/872202420.db2.gz RAVMOYHHASBIHY-LLVKDONJSA-N -1 1 399.232 3.576 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)ccc1C(F)(F)F ZINC000443409577 872269485 /nfs/dbraw/zinc/26/94/85/872269485.db2.gz XJBYYZQOCJMOGL-UHFFFAOYSA-N -1 1 392.305 3.979 20 30 GHEDMM C=CCOC(=O)c1sc2[n-]c(CO[C@@H]3CCCC[C@H]3C)nc(=O)c2c1C ZINC000070694354 872739608 /nfs/dbraw/zinc/73/96/08/872739608.db2.gz VVYLMWOHGLHBGT-DGCLKSJQSA-N -1 1 376.478 3.731 20 30 GHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3nc(Cl)nc4[nH]cnc43)c2)c1 ZINC001196309159 873003199 /nfs/dbraw/zinc/00/31/99/873003199.db2.gz OQOQXUVICWSLBM-UHFFFAOYSA-N -1 1 390.790 3.503 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1 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LXRRYDZPPKSDRS-UHFFFAOYSA-N -1 1 398.513 3.763 20 30 GHEDMM C=C[C@H](CC(=O)OCCc1c(C)nc(-c2ccccn2)[n-]c1=O)c1ccccc1 ZINC000806019688 884279351 /nfs/dbraw/zinc/27/93/51/884279351.db2.gz MPJXAUOBAYOMHO-QGZVFWFLSA-N -1 1 389.455 3.998 20 30 GHEDMM O=S1(=O)[N-]C(=NN=Cc2sc3ccccc3c2Cl)c2ccccc21 ZINC000914600918 884305815 /nfs/dbraw/zinc/30/58/15/884305815.db2.gz ZZWMYYXKWFKPGW-UHFFFAOYSA-N -1 1 375.862 3.627 20 30 GHEDMM CCC(N=Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(C(=O)[O-])cc1 ZINC000760248106 884792557 /nfs/dbraw/zinc/79/25/57/884792557.db2.gz IBIJNFHFPCAPOL-UHFFFAOYSA-N -1 1 382.388 3.607 20 30 GHEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)c(O)c1 ZINC000806558425 884810358 /nfs/dbraw/zinc/81/03/58/884810358.db2.gz CDBCJSBCXPBXDB-BAQGIRSFSA-N -1 1 375.380 3.961 20 30 GHEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2OCc2ccccn2)c(O)c1 ZINC000806559757 884812792 /nfs/dbraw/zinc/81/27/92/884812792.db2.gz FKVFNITXQQRKGZ-PKNBQFBNSA-N -1 1 375.380 3.961 20 30 GHEDMM 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JRGBGJKDFOZVMU-LJQANCHMSA-N -1 1 384.382 3.557 20 30 GHEDMM CN(Cc1cc(Br)ccc1F)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737454329 600566145 /nfs/dbraw/zinc/56/61/45/600566145.db2.gz LIECHLNSVCYWOF-INIZCTEOSA-N -1 1 377.213 3.718 20 30 GHEDMM N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000833065093 600674917 /nfs/dbraw/zinc/67/49/17/600674917.db2.gz RPZUFIKSGFRJDX-KRWDZBQOSA-N -1 1 398.465 3.903 20 30 GHEDMM COc1ccc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)cc1C#N ZINC000826203930 607549104 /nfs/dbraw/zinc/54/91/04/607549104.db2.gz NBFUNBVDXGOWEG-UHFFFAOYSA-N -1 1 399.414 3.546 20 30 GHEDMM N#CCOc1ccc(Cl)cc1CN1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000740310191 602992159 /nfs/dbraw/zinc/99/21/59/602992159.db2.gz HAXCNKNKJFACHK-YOEHRIQHSA-N -1 1 377.872 3.597 20 30 GHEDMM N#CCOc1ccc(Cl)cc1CN1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000740310189 602992343 /nfs/dbraw/zinc/99/23/43/602992343.db2.gz HAXCNKNKJFACHK-WMLDXEAASA-N -1 1 377.872 3.597 20 30 GHEDMM C=CCOc1ccccc1CN[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833378241 605181838 /nfs/dbraw/zinc/18/18/38/605181838.db2.gz BTHOKHYWVNMASI-KRWDZBQOSA-N -1 1 376.250 3.929 20 30 GHEDMM COc1ccccc1CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C(C)C ZINC000821891278 606238166 /nfs/dbraw/zinc/23/81/66/606238166.db2.gz ZHNCSSCWLGYWFB-UHFFFAOYSA-N -1 1 397.483 3.827 20 30 GHEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)cc1 ZINC000822833573 606537152 /nfs/dbraw/zinc/53/71/52/606537152.db2.gz RYFBFXQOHGAGOH-UHFFFAOYSA-N -1 1 388.412 3.844 20 30 GHEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)cc1 ZINC000822833573 606537154 /nfs/dbraw/zinc/53/71/54/606537154.db2.gz RYFBFXQOHGAGOH-UHFFFAOYSA-N -1 1 388.412 3.844 20 30 GHEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400076 608093809 /nfs/dbraw/zinc/09/38/09/608093809.db2.gz OFIHXSNDHQSEBL-IHWYPQMZSA-N -1 1 388.836 3.639 20 30 GHEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400076 608093810 /nfs/dbraw/zinc/09/38/10/608093810.db2.gz OFIHXSNDHQSEBL-IHWYPQMZSA-N -1 1 388.836 3.639 20 30 GHEDMM N#CC(=C([O-])c1ccnn1C1CCOCC1)c1nc(-c2ccccc2)cs1 ZINC000659047158 837386924 /nfs/dbraw/zinc/38/69/24/837386924.db2.gz DYVLLNWHLKCBSC-MRXNPFEDSA-N -1 1 378.457 3.848 20 30 GHEDMM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000654896177 834758794 /nfs/dbraw/zinc/75/87/94/834758794.db2.gz GLYFJYFMFYWLEA-MRXNPFEDSA-N -1 1 376.456 3.564 20 30 GHEDMM N#CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000536091397 834791830 /nfs/dbraw/zinc/79/18/30/834791830.db2.gz YEJAHOPVALWLCF-UHFFFAOYSA-N -1 1 391.452 3.806 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N3CCCCCC3)nc2)n1 ZINC000512953944 844025293 /nfs/dbraw/zinc/02/52/93/844025293.db2.gz WOJHLOBXBPVNRH-OAHLLOKOSA-N -1 1 398.488 3.585 20 30 GHEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc21 ZINC000134449388 835741645 /nfs/dbraw/zinc/74/16/45/835741645.db2.gz DRMURVPMKIMKRH-UHFFFAOYSA-N -1 1 397.500 3.588 20 30 GHEDMM N#Cc1c(F)cccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000188906977 837982706 /nfs/dbraw/zinc/98/27/06/837982706.db2.gz PDMRYNNTPSAKNG-UHFFFAOYSA-N -1 1 395.415 3.750 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)(C)CC#N)cc2)c1 ZINC000458021364 838070493 /nfs/dbraw/zinc/07/04/93/838070493.db2.gz JTCNPWYFMIYDQH-UHFFFAOYSA-N -1 1 399.516 3.774 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(C)(C)CC#N)cc2)c1C ZINC000458022876 838327839 /nfs/dbraw/zinc/32/78/39/838327839.db2.gz KTFLMNNGGJBWGD-UHFFFAOYSA-N -1 1 399.516 3.774 20 30 GHEDMM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055581568 838925151 /nfs/dbraw/zinc/92/51/51/838925151.db2.gz OKVLWRJOIBDJTG-UHFFFAOYSA-N -1 1 391.880 3.541 20 30 GHEDMM C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000378549761 839319471 /nfs/dbraw/zinc/31/94/71/839319471.db2.gz XMMKEGMLHXVDLQ-OAHLLOKOSA-N -1 1 393.443 3.810 20 30 GHEDMM COc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2s1 ZINC000430976485 843350163 /nfs/dbraw/zinc/35/01/63/843350163.db2.gz GZGXCGPZWSZNBZ-UHFFFAOYSA-N -1 1 379.850 3.631 20 30 GHEDMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000279832398 843419968 /nfs/dbraw/zinc/41/99/68/843419968.db2.gz CCXRXJCLWVTTEH-VWLOTQADSA-N -1 1 390.530 3.601 20 30 GHEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000432948834 844717539 /nfs/dbraw/zinc/71/75/39/844717539.db2.gz MLBCZVINQAXFFA-CQSZACIVSA-N -1 1 392.761 3.775 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000176207514 844831755 /nfs/dbraw/zinc/83/17/55/844831755.db2.gz XKNVZWOAABFGLY-UHFFFAOYSA-N -1 1 380.429 3.595 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)nc2)c(C)c1 ZINC000603987295 861509933 /nfs/dbraw/zinc/50/99/33/861509933.db2.gz LQXGWEMGNJDTNK-UHFFFAOYSA-N -1 1 395.440 3.863 20 30 GHEDMM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000182887432 845587285 /nfs/dbraw/zinc/58/72/85/845587285.db2.gz HXWYRGSZGGAELE-NSHDSACASA-N -1 1 378.837 3.591 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c(Cl)c1 ZINC000183159924 846420705 /nfs/dbraw/zinc/42/07/05/846420705.db2.gz ZENJBKWPCBFPQK-UHFFFAOYSA-N -1 1 379.844 3.752 20 30 GHEDMM C[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000023417178 847026538 /nfs/dbraw/zinc/02/65/38/847026538.db2.gz NZBUQKOAHIBBDN-LLVKDONJSA-N -1 1 398.362 3.575 20 30 GHEDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000582455521 847288625 /nfs/dbraw/zinc/28/86/25/847288625.db2.gz YGNUQFIELGNFAP-SSDOTTSWSA-N -1 1 396.444 3.661 20 30 GHEDMM C=CCOCCCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000431451493 847627374 /nfs/dbraw/zinc/62/73/74/847627374.db2.gz JFUXOAIAJQUDBZ-UHFFFAOYSA-N -1 1 393.075 3.839 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1Cl ZINC000135705401 848409921 /nfs/dbraw/zinc/40/99/21/848409921.db2.gz GHFDWIZPMTTYID-UHFFFAOYSA-N -1 1 383.860 3.998 20 30 GHEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000503991224 849824440 /nfs/dbraw/zinc/82/44/40/849824440.db2.gz BNMHGAMZELFPGO-CQSZACIVSA-N -1 1 394.296 3.557 20 30 GHEDMM C=CCCC[C@H](NC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)C(=O)[O-] ZINC000908802404 850370551 /nfs/dbraw/zinc/37/05/51/850370551.db2.gz HSFMDMLWMAMVDH-ZWKOTPCHSA-N -1 1 393.915 3.586 20 30 GHEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000126627366 850479073 /nfs/dbraw/zinc/47/90/73/850479073.db2.gz VZAHJORWFRJHIF-UHFFFAOYSA-N -1 1 386.205 3.971 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC3(CC#N)CC3)ccc2C)cc1 ZINC000435959002 851025088 /nfs/dbraw/zinc/02/50/88/851025088.db2.gz PNUPDUBDKKWKSP-UHFFFAOYSA-N -1 1 397.500 3.528 20 30 GHEDMM C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000028492320 851206243 /nfs/dbraw/zinc/20/62/43/851206243.db2.gz MYLIAQIEPBPTQN-UHFFFAOYSA-N -1 1 384.501 3.918 20 30 GHEDMM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1C#N ZINC000604509901 862266360 /nfs/dbraw/zinc/26/63/60/862266360.db2.gz SMWMOOHOWAQDJT-INIZCTEOSA-N -1 1 393.472 3.543 20 30 GHEDMM C=CCOc1cccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c1 ZINC000426760020 852367649 /nfs/dbraw/zinc/36/76/49/852367649.db2.gz YLEYHIVGBABONW-OAQYLSRUSA-N -1 1 377.444 3.743 20 30 GHEDMM Cn1ncc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)c1C#N ZINC000436978573 852567194 /nfs/dbraw/zinc/56/71/94/852567194.db2.gz HJJFRRNLTUBSOK-UHFFFAOYSA-N -1 1 375.413 3.526 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1F ZINC000427099931 852719548 /nfs/dbraw/zinc/71/95/48/852719548.db2.gz IPVIPQXSJPFCJM-UHFFFAOYSA-N -1 1 388.420 3.930 20 30 GHEDMM C=CCn1cccc1C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000490045966 852733338 /nfs/dbraw/zinc/73/33/38/852733338.db2.gz HTOSDLCLCQZZPO-UHFFFAOYSA-N -1 1 399.447 3.866 20 30 GHEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)cc1 ZINC000673981644 862394860 /nfs/dbraw/zinc/39/48/60/862394860.db2.gz HQKCQUBAFRGOCQ-UHFFFAOYSA-N -1 1 396.472 3.652 20 30 GHEDMM N#Cc1ccc(C2CCN(C(=O)c3ccc(C(F)(F)F)c([O-])c3)CC2)nc1 ZINC000912929808 852896566 /nfs/dbraw/zinc/89/65/66/852896566.db2.gz QZIQVQYKJOYJEQ-UHFFFAOYSA-N -1 1 375.350 3.697 20 30 GHEDMM O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000029389640 853051489 /nfs/dbraw/zinc/05/14/89/853051489.db2.gz BYBNAXZMMGOQOI-QMMMGPOBSA-N -1 1 391.762 3.568 20 30 GHEDMM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055567384 854019902 /nfs/dbraw/zinc/01/99/02/854019902.db2.gz CKULTTVDJFVDNQ-UHFFFAOYSA-N -1 1 377.853 3.607 20 30 GHEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)Sc1ccc(Br)cc1 ZINC000589179457 854721490 /nfs/dbraw/zinc/72/14/90/854721490.db2.gz PNDPWONBZHGNIZ-NSHDSACASA-N -1 1 391.290 3.937 20 30 GHEDMM O=S(=O)([N-]c1cccc(C#Cc2ccccc2)c1)c1ccc2c(c1)COC2 ZINC000589935928 855191855 /nfs/dbraw/zinc/19/18/55/855191855.db2.gz AEIDZGHEIHJVLS-UHFFFAOYSA-N -1 1 375.449 3.917 20 30 GHEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000055580933 855350960 /nfs/dbraw/zinc/35/09/60/855350960.db2.gz SKGJYRYNYIAIJW-UHFFFAOYSA-N -1 1 379.869 3.757 20 30 GHEDMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000055588335 855354259 /nfs/dbraw/zinc/35/42/59/855354259.db2.gz QAEFAPJXIDGVMN-UHFFFAOYSA-N -1 1 390.424 3.726 20 30 GHEDMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000055632881 855363288 /nfs/dbraw/zinc/36/32/88/855363288.db2.gz MUDQPPJSPPYKCN-UHFFFAOYSA-N -1 1 385.489 3.621 20 30 GHEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C)C#N)cc1 ZINC000195445395 856421859 /nfs/dbraw/zinc/42/18/59/856421859.db2.gz CAZLALAOEXKONI-HNNXBMFYSA-N -1 1 399.516 3.735 20 30 GHEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000507938478 856689962 /nfs/dbraw/zinc/68/99/62/856689962.db2.gz WNWVCWUULGVMEI-UHFFFAOYSA-N -1 1 393.468 3.980 20 30 GHEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1 ZINC000508075402 856896407 /nfs/dbraw/zinc/89/64/07/856896407.db2.gz YMICFWOPTLTFOR-UHFFFAOYSA-N -1 1 383.292 3.843 20 30 GHEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000428046152 857056661 /nfs/dbraw/zinc/05/66/61/857056661.db2.gz TYCAYBJFJHLHQS-GOSISDBHSA-N -1 1 388.464 3.807 20 30 GHEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc3c(s2)CCCC3)C1=O ZINC000906487434 857117509 /nfs/dbraw/zinc/11/75/09/857117509.db2.gz YEOAGTVZHSAHFB-HXUWFJFHSA-N -1 1 391.537 3.943 20 30 GHEDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)c2C)o1 ZINC000593205637 857394557 /nfs/dbraw/zinc/39/45/57/857394557.db2.gz ZQUQRAALWHMPCC-UHFFFAOYSA-N -1 1 384.461 3.889 20 30 GHEDMM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594725555 858265031 /nfs/dbraw/zinc/26/50/31/858265031.db2.gz FKKNJKMGPXHEAS-LBPRGKRZSA-N -1 1 398.109 3.726 20 30 GHEDMM CC[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000183949729 858845512 /nfs/dbraw/zinc/84/55/12/858845512.db2.gz YOFLCQALUJOYGI-KRWDZBQOSA-N -1 1 385.489 3.526 20 30 GHEDMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000466471625 859658851 /nfs/dbraw/zinc/65/88/51/859658851.db2.gz FITPWMZBIHYXHW-UHFFFAOYSA-N -1 1 392.864 3.922 20 30 GHEDMM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(OC)c1Br ZINC000041518274 860807153 /nfs/dbraw/zinc/80/71/53/860807153.db2.gz SOGABIQZQHZAQB-SNVBAGLBSA-N -1 1 381.251 3.721 20 30 GHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)OCCCCC#N ZINC000733867036 863212535 /nfs/dbraw/zinc/21/25/35/863212535.db2.gz RLRVWTQGCIYHCH-UHFFFAOYSA-N -1 1 390.436 3.786 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C#N)CC(C)C)cc2)c1 ZINC000608822445 865755865 /nfs/dbraw/zinc/75/58/65/865755865.db2.gz DPRVQUPKLZHEEO-LJQANCHMSA-N -1 1 399.516 3.772 20 30 GHEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740922562 866107593 /nfs/dbraw/zinc/10/75/93/866107593.db2.gz MHHHVPAENKADEF-UHFFFAOYSA-N -1 1 381.432 3.883 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1Cl ZINC000479307553 867513905 /nfs/dbraw/zinc/51/39/05/867513905.db2.gz NOWFAUYGFDAQES-UHFFFAOYSA-N -1 1 398.871 3.944 20 30 GHEDMM O=C([O-])COc1ccc(Br)cc1CN=Nc1cccc(F)c1F ZINC000743443817 868194811 /nfs/dbraw/zinc/19/48/11/868194811.db2.gz RSHFXPKDGPDZIZ-UHFFFAOYSA-N -1 1 385.164 3.637 20 30 GHEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(CNC(=O)OC(C)(C)C)o2)c1 ZINC000744029213 868538182 /nfs/dbraw/zinc/53/81/82/868538182.db2.gz QEBFQADIXJEVDO-MRXNPFEDSA-N -1 1 397.431 3.574 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCCCCC#N)ccc2C)cc1 ZINC000744622932 868979021 /nfs/dbraw/zinc/97/90/21/868979021.db2.gz NHBSYDSWHAPMLY-UHFFFAOYSA-N -1 1 386.473 3.955 20 30 GHEDMM C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1)C1CC1 ZINC000540133434 870576640 /nfs/dbraw/zinc/57/66/40/870576640.db2.gz AKPCXVAKIUWEDD-UHFFFAOYSA-N -1 1 384.501 3.895 20 30 GHEDMM C=CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1)C1CC1 ZINC000540134934 870578156 /nfs/dbraw/zinc/57/81/56/870578156.db2.gz ROFXDHDVRVJQMI-UHFFFAOYSA-N -1 1 388.464 3.726 20 30 GHEDMM CCCCCCC[C@H](C)NC(=O)NC1([P@](=O)([O-])O)Cc2ccccc2C1 ZINC001192943897 870777827 /nfs/dbraw/zinc/77/78/27/870777827.db2.gz IBISWFAETDBASH-HNNXBMFYSA-N -1 1 382.441 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C#C[C@@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC001456953104 1062928445 /nfs/dbraw/zinc/92/84/45/1062928445.db2.gz IILYNBMVDYXXFQ-HXUWFJFHSA-N -1 1 396.512 3.732 20 30 GHEDMM N#CC(=C([O-])c1ccc2c(c1)[nH]c(=O)n2CC1CC1)c1nc(C2CC2)cs1 ZINC001348669644 1063269973 /nfs/dbraw/zinc/26/99/73/1063269973.db2.gz MNVTXWAUMBXMGQ-CQSZACIVSA-N -1 1 378.457 3.976 20 30 GHEDMM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1ccc(Br)c([O-])c1 ZINC001457932347 1063450960 /nfs/dbraw/zinc/45/09/60/1063450960.db2.gz GTMVPIGCQXUWBI-UHFFFAOYSA-N -1 1 398.072 3.717 20 30 GHEDMM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001464083293 1064807848 /nfs/dbraw/zinc/80/78/48/1064807848.db2.gz REPJARGREGFPHJ-UHFFFAOYSA-N -1 1 387.399 3.679 20 30 GHEDMM CCn1c([C@@H](C)CCC#N)nnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001352853891 1065376430 /nfs/dbraw/zinc/37/64/30/1065376430.db2.gz GADFESWYGILAGO-HNNXBMFYSA-N -1 1 381.480 3.510 20 30 GHEDMM C#C[C@H](CCC)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001467757519 1067455213 /nfs/dbraw/zinc/45/52/13/1067455213.db2.gz RSKXXENSUBSSTM-MRXNPFEDSA-N -1 1 390.892 3.673 20 30 GHEDMM C=CC[C@H]1CCN1C(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC001472628986 1073585083 /nfs/dbraw/zinc/58/50/83/1073585083.db2.gz VYROLPLDFAUSFE-SFHVURJKSA-N -1 1 388.464 3.726 20 30 GHEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CSc2ncc(C)c(=O)[n-]2)c1C#N ZINC001473036036 1073757592 /nfs/dbraw/zinc/75/75/92/1073757592.db2.gz QKLMLRIWDKHVCX-UHFFFAOYSA-N -1 1 393.472 3.501 20 30 GHEDMM O=C1c2cc(Br)sc2CCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826475528 607842889 /nfs/dbraw/zinc/84/28/89/607842889.db2.gz ITKXFOZHVROTHB-ALCCZGGFSA-N -1 1 393.291 3.965 20 30 GHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2Cc2ccccc2)o1 ZINC000735850398 599285119 /nfs/dbraw/zinc/28/51/19/599285119.db2.gz DGQVPBFLDUMRIL-OAHLLOKOSA-N -1 1 379.468 3.864 20 30 GHEDMM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736545975 599974113 /nfs/dbraw/zinc/97/41/13/599974113.db2.gz UIVOPWHSVKDNDR-JTQLQIEISA-N -1 1 382.488 3.641 20 30 GHEDMM CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CNC(C)(C)C(=O)[O-])sc2C1 ZINC000828604022 601412749 /nfs/dbraw/zinc/41/27/49/601412749.db2.gz SMPKDYKSDROMGZ-GFCCVEGCSA-N -1 1 391.537 3.552 20 30 GHEDMM Cc1nc(C(C)C)sc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000819783505 606202781 /nfs/dbraw/zinc/20/27/81/606202781.db2.gz YMAAGWGKNHQLAU-UHFFFAOYSA-N -1 1 388.501 3.778 20 30 GHEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1Br ZINC000821770041 606388650 /nfs/dbraw/zinc/38/86/50/606388650.db2.gz NVHWINAIYSAVNK-HWKANZROSA-N -1 1 391.250 3.595 20 30 GHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(Cc2ccccc2)C(F)(F)F)o1 ZINC000820196723 607148057 /nfs/dbraw/zinc/14/80/57/607148057.db2.gz AREHJGYZGJICFL-UHFFFAOYSA-N -1 1 379.346 3.551 20 30 GHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)[C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000823962909 608053746 /nfs/dbraw/zinc/05/37/46/608053746.db2.gz RIAHMPXHJVSYMB-LLVKDONJSA-N -1 1 398.427 3.553 20 30 GHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)oc3ccccc32)o1 ZINC000824141620 608054150 /nfs/dbraw/zinc/05/41/50/608054150.db2.gz KYJCWWOOOGHKSV-UHFFFAOYSA-N -1 1 385.815 3.998 20 30 GHEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(SC)cc1OC ZINC000826179027 608091862 /nfs/dbraw/zinc/09/18/62/608091862.db2.gz VQDZGUUHXLEHIO-SNAWJCMRSA-N -1 1 388.474 3.563 20 30 GHEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(SC)cc1OC ZINC000826179027 608091863 /nfs/dbraw/zinc/09/18/63/608091863.db2.gz VQDZGUUHXLEHIO-SNAWJCMRSA-N -1 1 388.474 3.563 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(CC(F)(F)F)C2 ZINC000414386109 837566963 /nfs/dbraw/zinc/56/69/63/837566963.db2.gz GGGDOYACLFBVMS-UHFFFAOYSA-N -1 1 395.406 3.545 20 30 GHEDMM Cc1cc([N-]c2nc3cc(C(F)(F)F)c(Br)cn3n2)cnc1C#N ZINC001210202697 837750131 /nfs/dbraw/zinc/75/01/31/837750131.db2.gz MXNZSXIXPXIRKV-UHFFFAOYSA-N -1 1 397.158 3.829 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N3CCCCCC3)nc2)n1 ZINC000512953943 844025230 /nfs/dbraw/zinc/02/52/30/844025230.db2.gz WOJHLOBXBPVNRH-HNNXBMFYSA-N -1 1 398.488 3.585 20 30 GHEDMM C=CCn1c([C@@H]2CCO[C@@H]2C)n[n-]c1=N[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000647376809 835511765 /nfs/dbraw/zinc/51/17/65/835511765.db2.gz ZTHNWTHQGHAWFT-LUXYFRNMSA-N -1 1 390.915 3.620 20 30 GHEDMM N#Cc1ccc(OCc2ccc(C(=O)[N-]c3nnc(C(F)(F)F)s3)o2)cc1 ZINC000102719755 835804921 /nfs/dbraw/zinc/80/49/21/835804921.db2.gz MUMJDFLABUHWSA-UHFFFAOYSA-N -1 1 394.334 3.853 20 30 GHEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000179610758 835891634 /nfs/dbraw/zinc/89/16/34/835891634.db2.gz FAJPXRRFHCLEQC-CYBMUJFWSA-N -1 1 382.832 3.820 20 30 GHEDMM C[C@@]1(C#N)CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000612367457 836125097 /nfs/dbraw/zinc/12/50/97/836125097.db2.gz GDMXYWWZOOSYJG-NRFANRHFSA-N -1 1 399.397 3.689 20 30 GHEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000549722190 844166663 /nfs/dbraw/zinc/16/66/63/844166663.db2.gz OUMSTWQOUUHISW-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM CC(C)CCSCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000066004881 836491540 /nfs/dbraw/zinc/49/15/40/836491540.db2.gz YXQFOZIVZVRFRN-ZDUSSCGKSA-N -1 1 389.546 3.819 20 30 GHEDMM C[C@@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000023416999 837009831 /nfs/dbraw/zinc/00/98/31/837009831.db2.gz BDXFYYNVBCQVIN-JTQLQIEISA-N -1 1 399.255 3.863 20 30 GHEDMM N#CC(=C([O-])c1cnc2n1CCC2)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000659050021 837380367 /nfs/dbraw/zinc/38/03/67/837380367.db2.gz FPPIZTIFSFJECZ-SNVBAGLBSA-N -1 1 376.363 3.948 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)c1 ZINC000614364012 844295229 /nfs/dbraw/zinc/29/52/29/844295229.db2.gz XWLKMBLGBXNIFO-FQEVSTJZSA-N -1 1 376.387 3.953 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 ZINC000614364018 844295243 /nfs/dbraw/zinc/29/52/43/844295243.db2.gz BDTFFLKOLCPGJZ-UHFFFAOYSA-N -1 1 387.395 3.534 20 30 GHEDMM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)CC(F)(F)F ZINC000416605268 839485071 /nfs/dbraw/zinc/48/50/71/839485071.db2.gz MKVOHKJZCVPHHH-ZETCQYMHSA-N -1 1 383.285 3.591 20 30 GHEDMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000389240147 839647694 /nfs/dbraw/zinc/64/76/94/839647694.db2.gz KOBOJYCPNGZYOF-UHFFFAOYSA-N -1 1 383.242 3.878 20 30 GHEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000580778719 840168497 /nfs/dbraw/zinc/16/84/97/840168497.db2.gz OMUSEKUISQVAJH-AWEZNQCLSA-N -1 1 376.306 3.527 20 30 GHEDMM Cc1ccc(NC(=O)[C@@H](C)C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000510358801 840436437 /nfs/dbraw/zinc/43/64/37/840436437.db2.gz ADSOZZSHBPSYGO-LBPRGKRZSA-N -1 1 377.853 3.547 20 30 GHEDMM C=C(C)COc1cc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)ccc1OC ZINC000417651613 841102012 /nfs/dbraw/zinc/10/20/12/841102012.db2.gz XNIXUCSXJZGDTC-UHFFFAOYSA-N -1 1 377.387 3.916 20 30 GHEDMM Cc1ccc(-n2cc(C=CC(=O)c3c([O-])cc(C)oc3=O)c(C(C)(C)C)n2)cc1 ZINC000255298252 841328268 /nfs/dbraw/zinc/32/82/68/841328268.db2.gz VURATODXZRBLGN-WUQYLLKWSA-N -1 1 392.455 3.706 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)CC#N)c2)c1 ZINC000458028930 842338321 /nfs/dbraw/zinc/33/83/21/842338321.db2.gz PLEYCRBJHSDJPX-UHFFFAOYSA-N -1 1 399.516 3.774 20 30 GHEDMM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ncc(-c2ccccc2)o1 ZINC000120427593 843168754 /nfs/dbraw/zinc/16/87/54/843168754.db2.gz LTJWZCONYVKYTG-LBPRGKRZSA-N -1 1 387.848 3.906 20 30 GHEDMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432767488 843757998 /nfs/dbraw/zinc/75/79/98/843757998.db2.gz HVGVCGZXUSFZIU-LLVKDONJSA-N -1 1 395.278 3.829 20 30 GHEDMM COc1ccc2[nH]cc(C3CCN(C(=O)c4cc([O-])cc(C#N)c4)CC3)c2c1 ZINC000614297766 845550342 /nfs/dbraw/zinc/55/03/42/845550342.db2.gz ADORTIJPDHABRD-UHFFFAOYSA-N -1 1 375.428 3.774 20 30 GHEDMM C=CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000135661965 848301398 /nfs/dbraw/zinc/30/13/98/848301398.db2.gz MOLXDIMJVGPCRX-UHFFFAOYSA-N -1 1 390.480 3.973 20 30 GHEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccccc3C(C)C)nc(=O)c2c1C ZINC000121974545 848600344 /nfs/dbraw/zinc/60/03/44/848600344.db2.gz KQRKNJSWMSARNU-AWEZNQCLSA-N -1 1 380.473 3.971 20 30 GHEDMM CCC[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000522590173 862111999 /nfs/dbraw/zinc/11/19/99/862111999.db2.gz IEUPKKJPMJNXRI-INIZCTEOSA-N -1 1 391.880 3.563 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2C)cn1 ZINC000506728503 850617863 /nfs/dbraw/zinc/61/78/63/850617863.db2.gz FNGGQHRSQKDNEC-UHFFFAOYSA-N -1 1 395.440 3.863 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)c1C ZINC000424971995 850809420 /nfs/dbraw/zinc/80/94/20/850809420.db2.gz UAZJHMYYWAAYFC-FUHWJXTLSA-N -1 1 397.500 3.526 20 30 GHEDMM Cc1nc(NC(=O)Cc2ccc(C#N)cc2)sc1-c1n[n-]c(=S)n1C1CC1 ZINC000171448987 851214231 /nfs/dbraw/zinc/21/42/31/851214231.db2.gz QRVVRLDDBXSXKZ-UHFFFAOYSA-N -1 1 396.501 3.760 20 30 GHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 ZINC000048789038 851501484 /nfs/dbraw/zinc/50/14/84/851501484.db2.gz SFBUFEBNBIHOQB-GOSISDBHSA-N -1 1 396.493 3.916 20 30 GHEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1C#N ZINC000427353515 852994633 /nfs/dbraw/zinc/99/46/33/852994633.db2.gz YTHOAZZMPXQDPO-UHFFFAOYSA-N -1 1 389.440 3.606 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4F)[nH]c3c2)o1 ZINC000588943066 854606052 /nfs/dbraw/zinc/60/60/52/854606052.db2.gz ZDJQCKGWNJKXMW-UHFFFAOYSA-N -1 1 396.403 3.558 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000589175054 854716654 /nfs/dbraw/zinc/71/66/54/854716654.db2.gz DNOGJYPEJKUOSW-UHFFFAOYSA-N -1 1 382.423 3.592 20 30 GHEDMM COc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1Br ZINC000589160148 854731462 /nfs/dbraw/zinc/73/14/62/854731462.db2.gz XGIATSAUPCKTCC-JTQLQIEISA-N -1 1 375.222 3.526 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 ZINC000589207408 854750688 /nfs/dbraw/zinc/75/06/88/854750688.db2.gz VGGHYVQQNNYNTQ-MRXNPFEDSA-N -1 1 389.480 3.923 20 30 GHEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnn(-c3ccccc3)n2)cc1 ZINC000131554622 854932325 /nfs/dbraw/zinc/93/23/25/854932325.db2.gz ADDVKHNMRLFVBT-DNVCBOLYSA-N -1 1 387.443 3.742 20 30 GHEDMM CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055584679 855352744 /nfs/dbraw/zinc/35/27/44/855352744.db2.gz FUQFZTRHFPPIPB-UHFFFAOYSA-N -1 1 377.853 3.607 20 30 GHEDMM Cc1cc(C(=O)NC2CCCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000055639227 855366180 /nfs/dbraw/zinc/36/61/80/855366180.db2.gz JHXIKAPDAWAQGC-UHFFFAOYSA-N -1 1 397.500 3.730 20 30 GHEDMM N#Cc1cccnc1-n1cc([N-]c2nn3cc(C4CCCC4)nc3s2)cn1 ZINC000302560467 855881218 /nfs/dbraw/zinc/88/12/18/855881218.db2.gz UCIVGTLTQGFOOL-UHFFFAOYSA-N -1 1 376.449 3.644 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)cc1 ZINC000108639613 855964212 /nfs/dbraw/zinc/96/42/12/855964212.db2.gz QIPNDFWWFMTWJH-UHFFFAOYSA-N -1 1 378.457 3.559 20 30 GHEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765756368 856156777 /nfs/dbraw/zinc/15/67/77/856156777.db2.gz MUQNELSKYVDSAG-UHFFFAOYSA-N -1 1 389.249 3.500 20 30 GHEDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172590636 856490091 /nfs/dbraw/zinc/49/00/91/856490091.db2.gz XHBGKIPIBKPPMD-UHFFFAOYSA-N -1 1 385.489 3.586 20 30 GHEDMM Cc1ncc(S(=O)(=O)[N-]c2ccc3nc(-c4cccs4)[nH]c3c2)cc1C#N ZINC000427757082 856698207 /nfs/dbraw/zinc/69/82/07/856698207.db2.gz XZWAOPRWMLGPRF-UHFFFAOYSA-N -1 1 395.469 3.667 20 30 GHEDMM C=C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000428044940 857055589 /nfs/dbraw/zinc/05/55/89/857055589.db2.gz WEPCHHVKYKFKPH-IBGZPJMESA-N -1 1 384.501 3.977 20 30 GHEDMM C=C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000428052215 857063868 /nfs/dbraw/zinc/06/38/68/857063868.db2.gz HIXMEDNTXXRCKJ-GOSISDBHSA-N -1 1 388.464 3.807 20 30 GHEDMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593196153 857386877 /nfs/dbraw/zinc/38/68/77/857386877.db2.gz PWJCUPPBTFYEGD-UHFFFAOYSA-N -1 1 399.516 3.674 20 30 GHEDMM Cc1ccccc1-n1ncc([N-]S(=O)(=O)CCC(C)(C)C#N)c1C(F)F ZINC000593219227 857436789 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GHEDMM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443120372 858386562 /nfs/dbraw/zinc/38/65/62/858386562.db2.gz VLOWXQWHKNQJPF-GTNSWQLSSA-N -1 1 389.249 3.532 20 30 GHEDMM N#Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000429342142 859086623 /nfs/dbraw/zinc/08/66/23/859086623.db2.gz WJZQKXOAIOXNKD-LLVKDONJSA-N -1 1 380.454 3.699 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509389189 859274018 /nfs/dbraw/zinc/27/40/18/859274018.db2.gz SIWMFDJKPLIFTJ-UHFFFAOYSA-N -1 1 397.378 3.558 20 30 GHEDMM N#Cc1cc([N-]C(=O)c2cnc(-c3ccccn3)s2)c(Cl)c([N+](=O)[O-])c1 ZINC000764300748 859374683 /nfs/dbraw/zinc/37/46/83/859374683.db2.gz CEJGTQRMMNLNGN-UHFFFAOYSA-N -1 1 385.792 3.891 20 30 GHEDMM COc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C\c1ccccc1Br ZINC000727359988 860053544 /nfs/dbraw/zinc/05/35/44/860053544.db2.gz WWWLISLFPYCJTD-HJWRWDBZSA-N -1 1 393.262 3.742 20 30 GHEDMM CCOc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc(Cl)c1[O-] ZINC000186617511 860768412 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GHEDMM N#C[C@@H](CC(=O)N([O-])C(=N)c1ccccc1N)c1c(Cl)cccc1Cl ZINC001183114708 912297611 /nfs/dbraw/zinc/29/76/11/912297611.db2.gz XYCMFENTXFPQOE-SNVBAGLBSA-N -1 1 377.231 3.816 20 30 GHEDMM N#C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CCCCC1 ZINC000176640068 878335247 /nfs/dbraw/zinc/33/52/47/878335247.db2.gz ALBQDAUHSFTLNA-FQEVSTJZSA-N -1 1 397.500 3.690 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000530717132 878375022 /nfs/dbraw/zinc/37/50/22/878375022.db2.gz VYTZPXZBMHEEBG-UHFFFAOYSA-N -1 1 378.413 3.804 20 30 GHEDMM CCN(C)c1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cn1 ZINC000790148641 879484649 /nfs/dbraw/zinc/48/46/49/879484649.db2.gz BSZTXQNOEZMSBH-UHFFFAOYSA-N -1 1 384.534 3.592 20 30 GHEDMM CC(C)N(C)c1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)cn1 ZINC000790149711 879484969 /nfs/dbraw/zinc/48/49/69/879484969.db2.gz OUTKNFACFRBNJB-UHFFFAOYSA-N -1 1 398.561 3.981 20 30 GHEDMM C[C@@H](C(=O)N([O-])C(=N)c1ccccc1N)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC001183449176 912540818 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N#Cc1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)nc2ccccc12 ZINC000508125625 856959323 /nfs/dbraw/zinc/95/93/23/856959323.db2.gz AFPTXZBHJZRLTQ-UHFFFAOYSA-N -1 1 375.812 3.841 20 30 GHEDMM C=C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000428046153 857056975 /nfs/dbraw/zinc/05/69/75/857056975.db2.gz TYCAYBJFJHLHQS-SFHVURJKSA-N -1 1 388.464 3.807 20 30 GHEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C2CCCCC2)no1 ZINC000174068460 857204907 /nfs/dbraw/zinc/20/49/07/857204907.db2.gz GGPCECGOAIVVKE-NSHDSACASA-N -1 1 394.884 3.682 20 30 GHEDMM Cc1csc(C(C#N)=C([O-])c2ccccc2CS(=O)(=O)c2ccccc2)n1 ZINC000066723061 858266270 /nfs/dbraw/zinc/26/62/70/858266270.db2.gz QDZPPDKNKXGGEY-GOSISDBHSA-N -1 1 396.493 3.916 20 30 GHEDMM CC[C@@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000183926555 858840475 /nfs/dbraw/zinc/84/04/75/858840475.db2.gz NCIUAXJUBOLINA-KRWDZBQOSA-N -1 1 385.489 3.526 20 30 GHEDMM CCC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)cc1F ZINC000443502695 858850346 /nfs/dbraw/zinc/85/03/46/858850346.db2.gz PXVNWPXJLLWFLX-OAHLLOKOSA-N -1 1 395.387 3.564 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(COC(F)(F)F)cc2)n1 ZINC000483527973 859422790 /nfs/dbraw/zinc/42/27/90/859422790.db2.gz VHCVNGPMJQBIPU-GFCCVEGCSA-N -1 1 398.362 3.846 20 30 GHEDMM Cc1ccc(C#N)c(N(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3)c2)n1 ZINC000161153592 859640219 /nfs/dbraw/zinc/64/02/19/859640219.db2.gz JAJVBPAEWDNVBF-UHFFFAOYSA-N -1 1 392.484 3.699 20 30 GHEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C)c1C#N ZINC000137377273 859992900 /nfs/dbraw/zinc/99/29/00/859992900.db2.gz GRNVMRXSBICEHQ-UHFFFAOYSA-N -1 1 387.530 3.529 20 30 GHEDMM N#CC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CCCCC1 ZINC000598303484 860207608 /nfs/dbraw/zinc/20/76/08/860207608.db2.gz DCSVKNGKIVDQEY-UHFFFAOYSA-N -1 1 397.500 3.691 20 30 GHEDMM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000608553192 865452203 /nfs/dbraw/zinc/45/22/03/865452203.db2.gz YIAGCBGQRXISGB-OAHLLOKOSA-N -1 1 377.404 3.815 20 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/nfs/dbraw/zinc/72/58/56/868725856.db2.gz GUKNSZPMYNWLRL-UHFFFAOYSA-N -1 1 398.484 3.955 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c(F)c1 ZINC000092262540 871577479 /nfs/dbraw/zinc/57/74/79/871577479.db2.gz BRCJBARDEWJECU-CQSZACIVSA-N -1 1 390.333 3.808 20 30 GHEDMM N#CCc1cc([N-]S(=O)(=O)c2ccc3c(Cl)c[nH]c(=O)c3c2)ccc1F ZINC001194380491 871657600 /nfs/dbraw/zinc/65/76/00/871657600.db2.gz JDILUXANQNYZJO-UHFFFAOYSA-N -1 1 391.811 3.600 20 30 GHEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c3ncccc23)c(C)c1C ZINC001194866905 871998990 /nfs/dbraw/zinc/99/89/90/871998990.db2.gz SANLPCBHIYXPDC-UHFFFAOYSA-N -1 1 381.457 3.841 20 30 GHEDMM Cc1cc(C#N)cc(C(=O)Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1 ZINC001195408914 872368609 /nfs/dbraw/zinc/36/86/09/872368609.db2.gz CPHKQSZOOKNUQJ-SSDVNMTOSA-N -1 1 389.440 3.654 20 30 GHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000619462386 872656205 /nfs/dbraw/zinc/65/62/05/872656205.db2.gz MXYWLWOJRBEUBH-UHFFFAOYSA-N -1 1 397.481 3.867 20 30 GHEDMM N#CCCN(Cc1cccnc1)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309367 873003569 /nfs/dbraw/zinc/00/35/69/873003569.db2.gz VQUQIAUSXNEIFI-UHFFFAOYSA-N -1 1 382.423 3.882 20 30 GHEDMM N#Cc1ccc(NC(=O)c2cnc(Br)c(C(F)(F)F)c2)c([O-])c1 ZINC001196290360 873019339 /nfs/dbraw/zinc/01/93/39/873019339.db2.gz ORSKGSIQMCBUEQ-UHFFFAOYSA-N -1 1 386.127 3.692 20 30 GHEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000541311993 873339841 /nfs/dbraw/zinc/33/98/41/873339841.db2.gz OBNWOCYJITYCNG-CQSZACIVSA-N -1 1 394.296 3.557 20 30 GHEDMM C=CCOc1cccc(NC(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000541680039 874085317 /nfs/dbraw/zinc/08/53/17/874085317.db2.gz OWASMRFKIDRPFK-UHFFFAOYSA-N -1 1 393.399 3.758 20 30 GHEDMM CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000785566507 876132931 /nfs/dbraw/zinc/13/29/31/876132931.db2.gz FDNCXKIIHGXNPW-ZWKOTPCHSA-N -1 1 399.491 3.516 20 30 GHEDMM C[C@@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1F 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ZZAXZOVVTKEGHY-COXVUDFISA-N -1 1 376.888 3.579 20 30 GHEDMM CCCCCOc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914599692 884306533 /nfs/dbraw/zinc/30/65/33/884306533.db2.gz GXZBZRXYCCNLSP-UHFFFAOYSA-N -1 1 385.489 3.718 20 30 GHEDMM C=CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000116861971 884732871 /nfs/dbraw/zinc/73/28/71/884732871.db2.gz QWSWIMASJFSTKO-HNNXBMFYSA-N -1 1 388.489 3.581 20 30 GHEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000108652549 885787799 /nfs/dbraw/zinc/78/77/99/885787799.db2.gz ZOSRWUXGQZOVGM-HNNXBMFYSA-N -1 1 399.516 3.726 20 30 GHEDMM CC(C)(O)c1ccc(C=Nn2c(SCc3ccccc3)n[n-]c2=S)cc1 ZINC000807958065 885896685 /nfs/dbraw/zinc/89/66/85/885896685.db2.gz IVZRSWIHBJVVGY-UHFFFAOYSA-N -1 1 384.530 3.969 20 30 GHEDMM N#C[C@@H](C(=O)c1csc(C2CC2)n1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000194987957 886011548 /nfs/dbraw/zinc/01/15/48/886011548.db2.gz ZTQCQPXWKYCANU-NSHDSACASA-N -1 1 396.497 3.687 20 30 GHEDMM CN(C)c1cc(Br)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000498979056 886238289 /nfs/dbraw/zinc/23/82/89/886238289.db2.gz MQCMAMXSGLDHMV-HNNXBMFYSA-N -1 1 395.260 3.948 20 30 GHEDMM C#CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)C1 ZINC000862557377 886463227 /nfs/dbraw/zinc/46/32/27/886463227.db2.gz FMFHJTLVHNXFJI-SFHVURJKSA-N -1 1 396.512 3.590 20 30 GHEDMM CCCCOc1ccc(C=NOCC(=O)Nc2cccc(F)c2[O-])cc1OC ZINC000863010637 886812590 /nfs/dbraw/zinc/81/25/90/886812590.db2.gz WXBMZVMSAGOZLD-UHFFFAOYSA-N -1 1 390.411 3.708 20 30 GHEDMM C=CC[C@@H](C(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C)c1ccccc1 ZINC000809250794 887228193 /nfs/dbraw/zinc/22/81/93/887228193.db2.gz QOMKYJXKUADJKM-DIECFANBSA-N -1 1 382.426 3.650 20 30 GHEDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 ZINC000272538066 887667154 /nfs/dbraw/zinc/66/71/54/887667154.db2.gz ZWVNRDATODZHBK-SNVBAGLBSA-N -1 1 387.465 3.665 20 30 GHEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 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C=CCCC[C@@H](C)NC(=O)N1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC000817782540 895901878 /nfs/dbraw/zinc/90/18/78/895901878.db2.gz SDXVWBRHKCOZBV-HIFRSBDPSA-N -1 1 383.414 3.551 20 30 GHEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(OC(F)F)cc1OC(F)F ZINC000569367832 898582959 /nfs/dbraw/zinc/58/29/59/898582959.db2.gz PYDMJWJMVGMUJL-UHFFFAOYSA-N -1 1 384.351 3.571 20 30 GHEDMM C#CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000844049945 900471013 /nfs/dbraw/zinc/47/10/13/900471013.db2.gz UOIPVRWEMBERAT-UHFFFAOYSA-N -1 1 396.512 3.590 20 30 GHEDMM O=C([O-])Cc1cccc(S(=O)(=O)Nc2ccccc2C#Cc2ccccc2)c1 ZINC000573770033 900629289 /nfs/dbraw/zinc/62/92/89/900629289.db2.gz LBSFEMGSUXRZDS-UHFFFAOYSA-N -1 1 391.448 3.514 20 30 GHEDMM N#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2Cc2ccccc2)c([O-])c1 ZINC001186315799 914467010 /nfs/dbraw/zinc/46/70/10/914467010.db2.gz DNMUDYXHPAMIEA-QFIPXVFZSA-N -1 1 383.451 3.829 20 30 GHEDMM C#Cc1cccc(N(CC)C(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC001144136042 901112536 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GHEDMM CC[C@@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000188119566 904875692 /nfs/dbraw/zinc/87/56/92/904875692.db2.gz OWPWATMRHOLBPM-INIZCTEOSA-N -1 1 390.436 3.784 20 30 GHEDMM C[S@](=O)c1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1 ZINC001175475786 907565954 /nfs/dbraw/zinc/56/59/54/907565954.db2.gz PQUKHBIVOHACOK-UXSCPUMKSA-N -1 1 384.486 3.703 20 30 GHEDMM Cc1ccc(COc2ccc(C=CC(=O)c3c([O-])cc(C)oc3=O)cc2)cc1 ZINC000192765897 907886499 /nfs/dbraw/zinc/88/64/99/907886499.db2.gz FZQPHEPQQZHYNN-RUCTVCJSSA-N -1 1 376.408 3.802 20 30 GHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc3ccccc3[nH]c2=O)cc1 ZINC000193451568 908397937 /nfs/dbraw/zinc/39/79/37/908397937.db2.gz UCNUFBGPUCDYTC-IBGZPJMESA-N -1 1 387.439 3.832 20 30 GHEDMM C=CCC1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCC1 ZINC000191038447 908564416 /nfs/dbraw/zinc/56/44/16/908564416.db2.gz HECSNECBZAFWKL-UHFFFAOYSA-N -1 1 384.501 3.850 20 30 GHEDMM Cc1c[nH]c(C)c1CCC(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001177582539 908650214 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FCORXAHEFOVXPF-AEFFLSMTSA-N -1 1 376.489 3.732 20 30 GHEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)OCC(C)(C)C#N)ccc2C)c1 ZINC000781477719 930862865 /nfs/dbraw/zinc/86/28/65/930862865.db2.gz UGQASYBEOJIYML-UHFFFAOYSA-N -1 1 386.473 3.811 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000557845877 931718779 /nfs/dbraw/zinc/71/87/79/931718779.db2.gz YIYQKJLXWXYSQR-ZFWWWQNUSA-N -1 1 384.379 3.785 20 30 GHEDMM COc1cccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)c1OC ZINC000932020451 934802852 /nfs/dbraw/zinc/80/28/52/934802852.db2.gz DZCHLLDCLKXTEN-CYBMUJFWSA-N -1 1 395.793 3.534 20 30 GHEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)n1 ZINC001574470868 949517043 /nfs/dbraw/zinc/51/70/43/949517043.db2.gz HXVXGCMOJXCMDJ-SNVBAGLBSA-N -1 1 399.867 3.562 20 30 GHEDMM N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001594627375 956323901 /nfs/dbraw/zinc/32/39/01/956323901.db2.gz PRDQCKBRUHYCBI-FXAWDEMLSA-N -1 1 379.460 3.619 20 30 GHEDMM C#C[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC001625828583 1014212503 /nfs/dbraw/zinc/21/25/03/1014212503.db2.gz PRTVTEOZWVGDHH-INIZCTEOSA-N -1 1 398.528 3.845 20 30 GHEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000153974465 1014862541 /nfs/dbraw/zinc/86/25/41/1014862541.db2.gz AMVKZZSJQQCNJJ-UHFFFAOYSA-N -1 1 394.275 3.731 20 30 GHEDMM CC(C)(C)c1cnc(C(C#N)C(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)s1 ZINC001590515672 990129000 /nfs/dbraw/zinc/12/90/00/990129000.db2.gz ZLXYJTVKGPUSRA-ZDUSSCGKSA-N -1 1 394.456 3.815 20 30 GHEDMM COc1cc(C=NNc2ccccn2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001599400538 997206640 /nfs/dbraw/zinc/20/66/40/997206640.db2.gz OIKFSICDNAYPLJ-UHFFFAOYSA-N -1 1 377.400 3.813 20 30 GHEDMM N#Cc1c([O-])ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c1C#N ZINC001227620208 1032488028 /nfs/dbraw/zinc/48/80/28/1032488028.db2.gz YTEZZUKTUHQHFT-UHFFFAOYSA-N -1 1 381.435 3.988 20 30 GHEDMM CN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)c1cccc(C#N)c1 ZINC000562467894 1018185631 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394.840 3.857 20 30 GHEDMM C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl ZINC001156782301 1033238402 /nfs/dbraw/zinc/23/84/02/1033238402.db2.gz GHLXNWHKMKSRAC-AWEZNQCLSA-N -1 1 390.892 3.673 20 30 GHEDMM C#C[C@@H](CC)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001156824351 1033259024 /nfs/dbraw/zinc/25/90/24/1033259024.db2.gz AJSXWTIQNCXRMM-INIZCTEOSA-N -1 1 390.892 3.591 20 30 GHEDMM N#C[C@H]1CCC[C@H](OC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000839044763 1025540313 /nfs/dbraw/zinc/54/03/13/1025540313.db2.gz UKKQZBOYBDUTRO-YJBOKZPZSA-N -1 1 384.457 3.727 20 30 GHEDMM COC(=O)C1(Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)Cc2ccccc2C1 ZINC001162027372 1025547977 /nfs/dbraw/zinc/54/79/77/1025547977.db2.gz UIWOMOWOUZFTHW-FOKLQQMPSA-N -1 1 378.350 3.636 20 30 GHEDMM [O-]N=C(Nc1nc(Cl)nc2c1CCCN2)c1ccc(OC(F)(F)F)cc1 ZINC001163765107 1026307631 /nfs/dbraw/zinc/30/76/31/1026307631.db2.gz LHDCUVIWOHLRDD-UHFFFAOYSA-N -1 1 387.749 3.635 20 30 GHEDMM 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GHEDMM N#CC(=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1)c1nc(C2CC2)cs1 ZINC000647378344 835520018 /nfs/dbraw/zinc/52/00/18/835520018.db2.gz PNRLYFGRDBECHA-LBPRGKRZSA-N -1 1 386.864 3.694 20 30 GHEDMM COCc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000047362054 835833390 /nfs/dbraw/zinc/83/33/90/835833390.db2.gz MVFHVZKITPRSSB-HNNXBMFYSA-N -1 1 393.468 3.912 20 30 GHEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1csc(N2CCCCC2)n1 ZINC000892493731 836181141 /nfs/dbraw/zinc/18/11/41/836181141.db2.gz QSKKADMMCHOHOJ-AWEZNQCLSA-N -1 1 388.880 3.748 20 30 GHEDMM N#Cc1ccc(C(=O)OCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cc1 ZINC000021946306 836550660 /nfs/dbraw/zinc/55/06/60/836550660.db2.gz HDFHLHIMTBZRGT-UHFFFAOYSA-N -1 1 387.420 3.880 20 30 GHEDMM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614364025 844296226 /nfs/dbraw/zinc/29/62/26/844296226.db2.gz FSDDMJAWQJITQO-GJZGRUSLSA-N -1 1 391.471 3.943 20 30 GHEDMM COC1CCC(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)CC1 ZINC000136144954 839006438 /nfs/dbraw/zinc/00/64/38/839006438.db2.gz LLJQQTIWEZTIAU-SSDMNJCBSA-N -1 1 399.516 3.635 20 30 GHEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3F)n2)cc1 ZINC000120274944 841274302 /nfs/dbraw/zinc/27/43/02/841274302.db2.gz UVLFIBOBIOTBPP-OAHLLOKOSA-N -1 1 395.415 3.919 20 30 GHEDMM COCc1ccc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)o1 ZINC000096988935 841672102 /nfs/dbraw/zinc/67/21/02/841672102.db2.gz UOWZKDSLKUJSCM-UHFFFAOYSA-N -1 1 386.458 3.694 20 30 GHEDMM C=C(C)COc1cc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)ccc1OC ZINC000432694188 843514331 /nfs/dbraw/zinc/51/43/31/843514331.db2.gz GBXGNVZGPVENIO-NTEUORMPSA-N -1 1 384.432 3.883 20 30 GHEDMM CSCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432764582 843749905 /nfs/dbraw/zinc/74/99/05/843749905.db2.gz JDXPIPUFSFINDF-UHFFFAOYSA-N -1 1 397.319 3.985 20 30 GHEDMM N#C[C@]1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCc2ccccc2C1 ZINC000471950006 843802203 /nfs/dbraw/zinc/80/22/03/843802203.db2.gz AKXVKWWAMOQOPY-HNNXBMFYSA-N -1 1 387.313 3.784 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc3ccccc32)C(F)(F)F)cn1 ZINC000512440814 843811389 /nfs/dbraw/zinc/81/13/89/843811389.db2.gz ISVIMXTVTARFIJ-QGZVFWFLSA-N -1 1 391.374 3.688 20 30 GHEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1 ZINC000603979896 861495832 /nfs/dbraw/zinc/49/58/32/861495832.db2.gz ZNVKLMGYXYAAEZ-UHFFFAOYSA-N -1 1 383.404 3.994 20 30 GHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)nc2)cc1 ZINC000603978855 861530160 /nfs/dbraw/zinc/53/01/60/861530160.db2.gz FMADOYBGHLINMW-UHFFFAOYSA-N -1 1 381.413 3.555 20 30 GHEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnc4c(cnn4C)c3)n2)cc1 ZINC000531101979 846219433 /nfs/dbraw/zinc/21/94/33/846219433.db2.gz HLXGJLUGVUBOOH-INIZCTEOSA-N -1 1 389.440 3.590 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000119798142 846284572 /nfs/dbraw/zinc/28/45/72/846284572.db2.gz JJCMIRVWCHYSGQ-UHFFFAOYSA-N -1 1 399.497 3.527 20 30 GHEDMM CCOC(=O)c1cnc(N=NC(C)c2cc(Cl)c(Cl)cc2[O-])nc1C ZINC000766030831 861748187 /nfs/dbraw/zinc/74/81/87/861748187.db2.gz YOAFGBKSCQQAQY-UHFFFAOYSA-N -1 1 383.235 3.810 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)ccc1C#N ZINC000277728576 847743560 /nfs/dbraw/zinc/74/35/60/847743560.db2.gz XPMCAVQKNLAOIE-RUZDIDTESA-N -1 1 390.530 3.715 20 30 GHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnc(N2CCCC[C@@H]2C)c(C)c1 ZINC000502411362 847852651 /nfs/dbraw/zinc/85/26/51/847852651.db2.gz ANSHVKJYKGHBKL-INIZCTEOSA-N -1 1 384.505 3.750 20 30 GHEDMM C=CCC[C@H](NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)c1ccccc1 ZINC000154449073 849295247 /nfs/dbraw/zinc/29/52/47/849295247.db2.gz JDSIAIXINHFZEK-FQEVSTJZSA-N -1 1 388.471 3.507 20 30 GHEDMM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000435590427 850678856 /nfs/dbraw/zinc/67/88/56/850678856.db2.gz WAVQQJPXAMIMFA-GXFFZTMASA-N -1 1 383.819 3.618 20 30 GHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)ccc1C#N ZINC000435714002 850797565 /nfs/dbraw/zinc/79/75/65/850797565.db2.gz HTXZPMSVCKJFSC-UHFFFAOYSA-N -1 1 390.371 3.655 20 30 GHEDMM CCOc1cc(-c2noc(C3(C#N)CCCC3)n2)cc(Br)c1[O-] ZINC000436956308 852545422 /nfs/dbraw/zinc/54/54/22/852545422.db2.gz QBPGKWJVIUIFFE-UHFFFAOYSA-N -1 1 378.226 3.939 20 30 GHEDMM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1cnc2ccccc2n1 ZINC000490861689 853312123 /nfs/dbraw/zinc/31/21/23/853312123.db2.gz YGXPUYNGMKDOHF-CYBMUJFWSA-N -1 1 390.353 3.638 20 30 GHEDMM CC#CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000519794826 853479576 /nfs/dbraw/zinc/47/95/76/853479576.db2.gz TXVYKJWPBRPUPV-UHFFFAOYSA-N -1 1 390.892 3.545 20 30 GHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)c1 ZINC000055547531 854010342 /nfs/dbraw/zinc/01/03/42/854010342.db2.gz QUXQMTJVBPBSHQ-UHFFFAOYSA-N -1 1 385.272 3.710 20 30 GHEDMM C=CCN1C(=O)C(=NN=c2[n-]c(-c3ccc(Cl)cc3)no2)c2ccccc21 ZINC000732925895 862593581 /nfs/dbraw/zinc/59/35/81/862593581.db2.gz VEECLGNIPXRSDJ-UHFFFAOYSA-N -1 1 379.807 3.739 20 30 GHEDMM C=CCN1C(=O)C(=NN=c2nc(-c3ccc(Cl)cc3)[n-]o2)c2ccccc21 ZINC000732925895 862593589 /nfs/dbraw/zinc/59/35/89/862593589.db2.gz VEECLGNIPXRSDJ-UHFFFAOYSA-N -1 1 379.807 3.739 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)c1 ZINC000589169997 854713235 /nfs/dbraw/zinc/71/32/35/854713235.db2.gz ATSONZIULUHCLQ-UHFFFAOYSA-N -1 1 396.244 3.706 20 30 GHEDMM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1Cl ZINC000133580230 862603722 /nfs/dbraw/zinc/60/37/22/862603722.db2.gz CRFKVYSNGXLZEL-UHFFFAOYSA-N -1 1 386.216 3.883 20 30 GHEDMM Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590507188 855440654 /nfs/dbraw/zinc/44/06/54/855440654.db2.gz VSKIKTSDHCHXEQ-UHFFFAOYSA-N -1 1 397.232 3.679 20 30 GHEDMM C=C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000428040414 857028448 /nfs/dbraw/zinc/02/84/48/857028448.db2.gz WDWLGXBBROEJKT-LJQANCHMSA-N -1 1 384.501 3.977 20 30 GHEDMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1cccc(C#N)c1 ZINC000064320757 857128381 /nfs/dbraw/zinc/12/83/81/857128381.db2.gz AZMMLMLJPZDOHB-UHFFFAOYSA-N -1 1 391.452 3.636 20 30 GHEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C2CCCCC2)no1 ZINC000174068475 857205036 /nfs/dbraw/zinc/20/50/36/857205036.db2.gz GGPCECGOAIVVKE-LLVKDONJSA-N -1 1 394.884 3.682 20 30 GHEDMM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000066306268 858049239 /nfs/dbraw/zinc/04/92/39/858049239.db2.gz REYNMQTYFCANDQ-MRXNPFEDSA-N -1 1 397.500 3.682 20 30 GHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000114673606 858159325 /nfs/dbraw/zinc/15/93/25/858159325.db2.gz VMZIWIDOPNJCSN-UHFFFAOYSA-N -1 1 382.441 3.977 20 30 GHEDMM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000594760370 858274076 /nfs/dbraw/zinc/27/40/76/858274076.db2.gz RPIYOSMSHMBYIU-UHFFFAOYSA-N -1 1 386.098 3.728 20 30 GHEDMM N#Cc1ccc(C(=O)N2CCc3c(Br)ccc(Cl)c3C2)cc1[O-] ZINC000443115053 858381589 /nfs/dbraw/zinc/38/15/89/858381589.db2.gz XDDIBSNOPQRSBM-UHFFFAOYSA-N -1 1 391.652 3.878 20 30 GHEDMM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443120374 858386818 /nfs/dbraw/zinc/38/68/18/858386818.db2.gz VLOWXQWHKNQJPF-PIGZYNQJSA-N -1 1 389.249 3.532 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C3CCOCC3)cc2)n1 ZINC000601730775 859488255 /nfs/dbraw/zinc/48/82/55/859488255.db2.gz RHLOZUFHXASOCZ-INIZCTEOSA-N -1 1 384.457 3.704 20 30 GHEDMM COc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000727359719 860053569 /nfs/dbraw/zinc/05/35/69/860053569.db2.gz TZPHYTYVNUJQNU-FPLPWBNLSA-N -1 1 393.262 3.742 20 30 GHEDMM N#CC(=C([O-])c1ccc(N2CCOC2=O)cc1)c1nc(-c2ccncc2)cs1 ZINC000114619143 881758290 /nfs/dbraw/zinc/75/82/90/881758290.db2.gz PQMZOLABAZLHNZ-INIZCTEOSA-N -1 1 390.424 3.652 20 30 GHEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000189264280 881797803 /nfs/dbraw/zinc/79/78/03/881797803.db2.gz VZAXBFXIQNRDMQ-UHFFFAOYSA-N -1 1 398.406 3.508 20 30 GHEDMM O=c1nc(NN=C(CCc2ccccc2Cl)c2ccccc2)nc2[nH][n-]cc1-2 ZINC000735615810 864882651 /nfs/dbraw/zinc/88/26/51/864882651.db2.gz RUAXRULFXGLGML-UHFFFAOYSA-N -1 1 392.850 3.534 20 30 GHEDMM Cc1cc(=O)[n-]c(NN=C2CCOc3c(Br)cc(Cl)cc32)n1 ZINC000920359277 882061899 /nfs/dbraw/zinc/06/18/99/882061899.db2.gz JRCMPVNINXFQQJ-UHFFFAOYSA-N -1 1 383.633 3.505 20 30 GHEDMM C=CC[C@H]1N(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCCC1(C)C ZINC000444888573 867408462 /nfs/dbraw/zinc/40/84/62/867408462.db2.gz KKHNAOSAIQNBIO-QGZVFWFLSA-N -1 1 395.525 3.665 20 30 GHEDMM C#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)c1 ZINC000742790460 867556994 /nfs/dbraw/zinc/55/69/94/867556994.db2.gz MRGZBKFRANRTBI-UHFFFAOYSA-N -1 1 398.528 3.973 20 30 GHEDMM CC(C)COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000793379433 882141526 /nfs/dbraw/zinc/14/15/26/882141526.db2.gz BHBNYQNZBBXJMB-UHFFFAOYSA-N -1 1 391.424 3.703 20 30 GHEDMM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000445813421 869017852 /nfs/dbraw/zinc/01/78/52/869017852.db2.gz IHBZQTSZXJJDNP-UHFFFAOYSA-N -1 1 392.383 3.838 20 30 GHEDMM C[C@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000746092161 870037099 /nfs/dbraw/zinc/03/70/99/870037099.db2.gz UTIVQSUCXVLMTB-LLVKDONJSA-N -1 1 397.378 3.604 20 30 GHEDMM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461418 872654998 /nfs/dbraw/zinc/65/49/98/872654998.db2.gz ZELVRWYFPZECCW-UHFFFAOYSA-N -1 1 383.395 3.638 20 30 GHEDMM Cc1ccc(-c2ccc(C=N[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000746491295 872837548 /nfs/dbraw/zinc/83/75/48/872837548.db2.gz AJYQWZBTIGUZDQ-UHFFFAOYSA-N -1 1 399.428 3.617 20 30 GHEDMM COC(=O)c1cc(C)cnc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196297358 873022338 /nfs/dbraw/zinc/02/23/38/873022338.db2.gz LBUGNAFUTICXND-UHFFFAOYSA-N -1 1 387.395 3.673 20 30 GHEDMM CSCC[C@@H](NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)C(C)(C)O ZINC001196321360 873029991 /nfs/dbraw/zinc/02/99/91/873029991.db2.gz ZFRVTQHRJGLUHP-LJQANCHMSA-N -1 1 384.501 3.553 20 30 GHEDMM CC(C)(C)OC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC001196488833 873132102 /nfs/dbraw/zinc/13/21/02/873132102.db2.gz WWJZIXHJQPENHT-UHFFFAOYSA-N -1 1 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COc1ccc2c(c1OC)O/C(=C/c1ccc([O-])c(Br)c1)C2=O ZINC000588618140 835133164 /nfs/dbraw/zinc/13/31/64/835133164.db2.gz FYARLJDCSRZHGE-RIYZIHGNSA-N -1 1 377.190 3.788 20 30 GHEDMM C[C@]1(C#N)CCCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])C1 ZINC000612367458 836125292 /nfs/dbraw/zinc/12/52/92/836125292.db2.gz GDMXYWWZOOSYJG-OAQYLSRUSA-N -1 1 399.397 3.689 20 30 GHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC#N)C3CCCC3)c2)cc1 ZINC000128289232 836321716 /nfs/dbraw/zinc/32/17/16/836321716.db2.gz SECWLOBLSFTYSL-UHFFFAOYSA-N -1 1 397.500 3.704 20 30 GHEDMM Cc1cccc(CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000047362241 844203284 /nfs/dbraw/zinc/20/32/84/844203284.db2.gz RMCVHCALMAPESF-MRXNPFEDSA-N -1 1 391.496 3.981 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NCC3(C#N)CCC3)c2)c1 ZINC000416360575 839045591 /nfs/dbraw/zinc/04/55/91/839045591.db2.gz UKCTUTWFCBCBER-UHFFFAOYSA-N -1 1 397.500 3.528 20 30 GHEDMM Cc1nc(-c2ccc(NCc3nc(-c4cccc(C#N)c4)c[nH]3)nc2)[n-]c(=O)c1C ZINC000378475087 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GHEDMM CC[C@@H](NC(=O)c1ccc(I)c([O-])c1)C1CCOCC1 ZINC000330872563 854762443 /nfs/dbraw/zinc/76/24/43/854762443.db2.gz RWVHFZPZPGTSLB-CYBMUJFWSA-N -1 1 389.233 3.507 20 30 GHEDMM C=C[C@@](C)(CCOC)C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000187609151 855201389 /nfs/dbraw/zinc/20/13/89/855201389.db2.gz XKSPAHCBJHDQKB-NRFANRHFSA-N -1 1 398.484 3.924 20 30 GHEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)ccc1Cl ZINC000055583909 855350783 /nfs/dbraw/zinc/35/07/83/855350783.db2.gz VTLFBURSSVMHBO-INIZCTEOSA-N -1 1 392.864 3.570 20 30 GHEDMM N#Cc1cc([O-])cc(C(=O)NCCc2ccc(Br)cc2Cl)c1 ZINC000590529982 855483097 /nfs/dbraw/zinc/48/30/97/855483097.db2.gz ITLCPJDRXRABDZ-UHFFFAOYSA-N -1 1 379.641 3.652 20 30 GHEDMM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172590537 856490241 /nfs/dbraw/zinc/49/02/41/856490241.db2.gz BBYQOVZJFZRJOU-UHFFFAOYSA-N -1 1 399.516 3.930 20 30 GHEDMM C[C@@H]1CCc2sc([N-]C(=O)c3nnn(C)c3C(F)(F)F)c(C#N)c2[C@H]1C ZINC000905823638 856635669 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381.367 3.503 20 30 GHEDMM COc1ccccc1CC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)C(C)C ZINC000821890963 606238144 /nfs/dbraw/zinc/23/81/44/606238144.db2.gz TZAVITSFKIUWKO-UHFFFAOYSA-N -1 1 383.456 3.653 20 30 GHEDMM O=C(C(=NN=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1)c1ccccc1 ZINC000822912278 606368204 /nfs/dbraw/zinc/36/82/04/606368204.db2.gz USHYQMVUJHNBTG-UHFFFAOYSA-N -1 1 386.440 3.634 20 30 GHEDMM O=C1c2cc(Br)cc(F)c2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504761 606391618 /nfs/dbraw/zinc/39/16/18/606391618.db2.gz UJXZEZLYPJZSAB-XVNBXDOJSA-N -1 1 391.225 3.652 20 30 GHEDMM N#CC1(OC(=O)c2cccc(Oc3cccc(Cl)c3-c3nn[n-]n3)c2)CCC1 ZINC000822801792 606801616 /nfs/dbraw/zinc/80/16/16/606801616.db2.gz OPUXEOLVKYLNFC-UHFFFAOYSA-N -1 1 395.806 3.915 20 30 GHEDMM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000826401146 608092409 /nfs/dbraw/zinc/09/24/09/608092409.db2.gz QPFJFGRNVZDFDX-DUXPYHPUSA-N -1 1 379.214 3.726 20 30 GHEDMM O=C(C=Cc1ccc(F)cc1Br)c1ccc(-c2nn[n-]n2)s1 ZINC000826401146 608092410 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394.500 3.831 20 30 GHEDMM C[C@]1(c2ccccc2)NC(=O)N(N=Cc2cc(Cl)c3ccccc3c2[O-])C1=O ZINC000774589267 912308568 /nfs/dbraw/zinc/30/85/68/912308568.db2.gz OMDMIYWMVJLEFV-OAQYLSRUSA-N -1 1 393.830 4.000 20 30 GHEDMM C[C@H](C#N)CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000530882545 878722199 /nfs/dbraw/zinc/72/21/99/878722199.db2.gz QBOVGPHMEQAMAY-SNVBAGLBSA-N -1 1 392.242 3.841 20 30 GHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c(F)c1 ZINC000531907100 880721706 /nfs/dbraw/zinc/72/17/06/880721706.db2.gz DRHWNDLVDQALRX-UHFFFAOYSA-N -1 1 389.633 3.914 20 30 GHEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC)cc1 ZINC000187331387 881152859 /nfs/dbraw/zinc/15/28/59/881152859.db2.gz HOUCXRJEYJXRLM-UHFFFAOYSA-N -1 1 384.501 3.864 20 30 GHEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(-c3ccccc3)ns2)cc1 ZINC000747205347 883214763 /nfs/dbraw/zinc/21/47/63/883214763.db2.gz SYNZRLNDFWZIHF-INIZCTEOSA-N -1 1 377.425 3.780 20 30 GHEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)c2ccccc12 ZINC000193358466 883234951 /nfs/dbraw/zinc/23/49/51/883234951.db2.gz REEYCVQMSYPPOY-UHFFFAOYSA-N -1 1 379.441 3.665 20 30 GHEDMM C=CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000135655852 883494863 /nfs/dbraw/zinc/49/48/63/883494863.db2.gz KUBSXKPKIBMSPM-UHFFFAOYSA-N -1 1 390.480 3.973 20 30 GHEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000194431818 883818820 /nfs/dbraw/zinc/81/88/20/883818820.db2.gz IKYZLLYHJALKQO-UHFFFAOYSA-N -1 1 399.516 3.771 20 30 GHEDMM CCC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000116713380 884040647 /nfs/dbraw/zinc/04/06/47/884040647.db2.gz OJYYNOIKYYRMMB-QGZVFWFLSA-N -1 1 385.489 3.526 20 30 GHEDMM C=CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000116858071 884693359 /nfs/dbraw/zinc/69/33/59/884693359.db2.gz RGOHFVRWBSZUPY-AWEZNQCLSA-N -1 1 376.453 3.629 20 30 GHEDMM Cc1occc1-c1nnc(SCC(=O)[O-])n1N=C[C@@H]1CCc2ccccc2C1 ZINC000863075376 886868307 /nfs/dbraw/zinc/86/83/07/886868307.db2.gz MCGXSFMFDWYSCE-CQSZACIVSA-N -1 1 396.472 3.662 20 30 GHEDMM O=C(c1ncc(Br)cn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184247016 913098054 /nfs/dbraw/zinc/09/80/54/913098054.db2.gz SXXNDDNOLOMDHO-UHFFFAOYSA-N -1 1 377.025 3.578 20 30 GHEDMM Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNc1nc(C)cc(=O)[n-]1 ZINC000916241516 888853629 /nfs/dbraw/zinc/85/36/29/888853629.db2.gz HLTYDSKCTSBTDU-UHFFFAOYSA-N -1 1 377.235 3.738 20 30 GHEDMM N#CCOc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cc1 ZINC001212606108 888870121 /nfs/dbraw/zinc/87/01/21/888870121.db2.gz LQQSPSMLFYNWRX-CIAFOILYSA-N -1 1 377.429 3.867 20 30 GHEDMM COc1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc(Cl)c1[O-] ZINC000153943234 888914079 /nfs/dbraw/zinc/91/40/79/888914079.db2.gz WJPKUTHEXAOTKP-UHFFFAOYSA-N -1 1 383.753 3.855 20 30 GHEDMM CCOCc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000153989510 889005523 /nfs/dbraw/zinc/00/55/23/889005523.db2.gz IFIUWWBDCBUCBU-UHFFFAOYSA-N -1 1 395.278 3.658 20 30 GHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)cc1 ZINC000533141867 889854149 /nfs/dbraw/zinc/85/41/49/889854149.db2.gz PRQVINLSZWZKRK-OAHLLOKOSA-N -1 1 397.500 3.560 20 30 GHEDMM C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000066315126 890894427 /nfs/dbraw/zinc/89/44/27/890894427.db2.gz UOCLOZDPSOVANG-MRXNPFEDSA-N -1 1 388.489 3.716 20 30 GHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2)c1 ZINC000066336926 890903861 /nfs/dbraw/zinc/90/38/61/890903861.db2.gz LGVYULSNRJVUOJ-UHFFFAOYSA-N -1 1 397.500 3.623 20 30 GHEDMM CC(C)(C)[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000154294221 891459642 /nfs/dbraw/zinc/45/96/42/891459642.db2.gz JVQGLCRKQNTCOZ-KRWDZBQOSA-N -1 1 390.436 3.722 20 30 GHEDMM O=S1(=O)[N-]C(=NN=C(Cc2ccccc2Cl)c2ccoc2)c2ccccc21 ZINC000814798741 893180896 /nfs/dbraw/zinc/18/08/96/893180896.db2.gz MTJDHMQNGSLGSO-UHFFFAOYSA-N -1 1 399.859 3.619 20 30 GHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Br)c(C)c2)n1 ZINC000533868238 893283848 /nfs/dbraw/zinc/28/38/48/893283848.db2.gz KXJSDAATRPPRNJ-LLVKDONJSA-N -1 1 393.262 3.881 20 30 GHEDMM C=CCOCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000815183910 893527518 /nfs/dbraw/zinc/52/75/18/893527518.db2.gz IHZOASUSKDCQAX-UHFFFAOYSA-N -1 1 395.864 3.500 20 30 GHEDMM C[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000878399213 894259541 /nfs/dbraw/zinc/25/95/41/894259541.db2.gz PGVLXWVYXPLZJN-HNNXBMFYSA-N -1 1 386.455 3.644 20 30 GHEDMM CC[C@H](C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC001135470204 894645851 /nfs/dbraw/zinc/64/58/51/894645851.db2.gz NQWPVCZVJNNHQD-CYBMUJFWSA-N -1 1 391.880 3.938 20 30 GHEDMM C=CCOc1c(Br)cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000566227560 896188825 /nfs/dbraw/zinc/18/88/25/896188825.db2.gz ZSEMULQMWHAXEW-TZMCWYRMSA-N -1 1 398.297 3.565 20 30 GHEDMM CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000818836285 896253491 /nfs/dbraw/zinc/25/34/91/896253491.db2.gz RBWSCJSOUISIJL-APWZRJJASA-N -1 1 399.491 3.516 20 30 GHEDMM N#CCc1ccccc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000567018868 896804051 /nfs/dbraw/zinc/80/40/51/896804051.db2.gz PANSPTYFPPRGEK-UHFFFAOYSA-N -1 1 391.452 3.806 20 30 GHEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C#N)c2)cc1Cl ZINC001186098648 914304477 /nfs/dbraw/zinc/30/44/77/914304477.db2.gz ORXNBJKOOFHSLG-UHFFFAOYSA-N -1 1 391.880 3.900 20 30 GHEDMM Cc1nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)[n-]c(=O)c1C ZINC000571234014 899791605 /nfs/dbraw/zinc/79/16/05/899791605.db2.gz KKMQZGAJTHNUOW-LLVKDONJSA-N -1 1 388.518 3.782 20 30 GHEDMM N#C[C@H](C(=O)C1CCC(F)(F)CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136143425 900598948 /nfs/dbraw/zinc/59/89/48/900598948.db2.gz GYQDNVIIANKWHO-GFCCVEGCSA-N -1 1 391.443 3.865 20 30 GHEDMM CCc1nc(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000575332453 901198229 /nfs/dbraw/zinc/19/82/29/901198229.db2.gz YGEUQAKWDWVLBB-CYBMUJFWSA-N -1 1 388.468 3.620 20 30 GHEDMM CC(C)(C)N1CC[C@](F)(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)C1 ZINC000845834533 902441684 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