smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)c1cccs1)c1ccccc1C(=O)C(C#N)c1ccccn1 ZINC000049457317 927074532 /nfs/dbraw/zinc/07/45/32/927074532.db2.gz KHSVDUFZWYTDKX-HNNXBMFYSA-N -1 1 361.426 3.910 20 30 FHEDMM O=c1[n-]c(=S)[nH]c(Nc2cc(F)nc(F)c2)c1N=Cc1ccccc1 ZINC001213078889 927164319 /nfs/dbraw/zinc/16/43/19/927164319.db2.gz AKMHYPCXKYIDCY-UFWORHAWSA-N -1 1 359.361 3.638 20 30 FHEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000748085602 928896573 /nfs/dbraw/zinc/89/65/73/928896573.db2.gz JKAHUCSZSBOXLX-UHFFFAOYSA-N -1 1 372.475 3.780 20 30 FHEDMM C=CCn1c(-c2sc(NC(=O)[C@H]3C[C@@H]3C3CC3)nc2C)n[n-]c1=S ZINC000175928067 930486134 /nfs/dbraw/zinc/48/61/34/930486134.db2.gz AXYSXXIQRVHKNB-MNOVXSKESA-N -1 1 361.496 3.543 20 30 FHEDMM CCc1cc2c(COC(=O)C3(C#N)CCCCC3)cc(=O)oc2cc1[O-] ZINC000728334160 932012781 /nfs/dbraw/zinc/01/27/81/932012781.db2.gz NWHQKNCVUNIBAZ-UHFFFAOYSA-N -1 1 355.390 3.578 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1 ZINC000126821018 932589193 /nfs/dbraw/zinc/58/91/93/932589193.db2.gz YRKJLRONOYCFIL-UHFFFAOYSA-N -1 1 371.643 3.775 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1Br ZINC000431193803 934147851 /nfs/dbraw/zinc/14/78/51/934147851.db2.gz QTPXYXJFDIHFLL-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427122634 945108579 /nfs/dbraw/zinc/10/85/79/945108579.db2.gz DGPLUXGUJJYBAY-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)c1 ZINC000227591568 935623999 /nfs/dbraw/zinc/62/39/99/935623999.db2.gz XEQXPHBZUYVYDA-UHFFFAOYSA-N -1 1 371.643 3.775 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c1 ZINC000158295964 935693295 /nfs/dbraw/zinc/69/32/95/935693295.db2.gz PPQSPWNKKUSDBT-UHFFFAOYSA-N -1 1 356.447 3.818 20 30 FHEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000427130379 945120705 /nfs/dbraw/zinc/12/07/05/945120705.db2.gz HWTUAEDXQBIEOJ-UHFFFAOYSA-N -1 1 354.790 3.550 20 30 FHEDMM N#CCSc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000431543262 938647374 /nfs/dbraw/zinc/64/73/74/938647374.db2.gz GXHROBKFILHZSH-UHFFFAOYSA-N -1 1 350.403 3.650 20 30 FHEDMM N#Cc1ccc(C(=O)N(CCc2ccccc2)Cc2cccnc2)cc1[O-] ZINC000188003120 938999937 /nfs/dbraw/zinc/99/99/37/938999937.db2.gz SFTRMJFXUWIHOY-UHFFFAOYSA-N -1 1 357.413 3.544 20 30 FHEDMM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000188404722 939875901 /nfs/dbraw/zinc/87/59/01/939875901.db2.gz RQTRANKKHIVWAI-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM N#CCCCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000299101199 945291022 /nfs/dbraw/zinc/29/10/22/945291022.db2.gz VVKPJJRQZRRSLC-UHFFFAOYSA-N -1 1 362.021 3.550 20 30 FHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nccnc2SC)cc1 ZINC000892501886 940116573 /nfs/dbraw/zinc/11/65/73/940116573.db2.gz RVOOUFXDZVPVDE-WFASDCNBSA-N -1 1 368.462 3.673 20 30 FHEDMM CC(=O)c1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1OC(C)C ZINC000659024630 941022764 /nfs/dbraw/zinc/02/27/64/941022764.db2.gz HEXCIGHWVREGKA-QGZVFWFLSA-N -1 1 351.406 3.573 20 30 FHEDMM Cn1ccc(Nc2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)n1 ZINC000659116452 941087006 /nfs/dbraw/zinc/08/70/06/941087006.db2.gz WBQFGVSYIZEJSJ-OAHLLOKOSA-N -1 1 363.446 3.988 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)cc1[O-] ZINC000189086753 941145151 /nfs/dbraw/zinc/14/51/51/941145151.db2.gz IAPIEJVBNSERQP-AWEZNQCLSA-N -1 1 352.287 3.826 20 30 FHEDMM C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000659801158 941404826 /nfs/dbraw/zinc/40/48/26/941404826.db2.gz ASAFBUWORXPUCZ-ZOWXZIJZSA-N -1 1 354.219 3.897 20 30 FHEDMM CCCCCCCC(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000119321541 941879582 /nfs/dbraw/zinc/87/95/82/941879582.db2.gz TXASMPSXULMWOF-UHFFFAOYSA-N -1 1 353.517 3.824 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000513390559 941887123 /nfs/dbraw/zinc/88/71/23/941887123.db2.gz QQZIARIJLSPJBE-UHFFFAOYSA-N -1 1 370.430 3.709 20 30 FHEDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000421153271 942375272 /nfs/dbraw/zinc/37/52/72/942375272.db2.gz LTPCOXRLWHHFBA-HUUCEWRRSA-N -1 1 370.540 3.741 20 30 FHEDMM N#CC(=C([O-])c1ccnn1CC(F)F)c1nc(-c2ccccc2)cs1 ZINC000434620871 942792618 /nfs/dbraw/zinc/79/26/18/942792618.db2.gz MPSUWPBWFQEXHX-GFCCVEGCSA-N -1 1 358.373 3.762 20 30 FHEDMM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC(F)(F)F ZINC000416606655 943008953 /nfs/dbraw/zinc/00/89/53/943008953.db2.gz OKLSNWJPFNSMLK-ZETCQYMHSA-N -1 1 367.286 3.711 20 30 FHEDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc2C)n1 ZINC000435727459 943571667 /nfs/dbraw/zinc/57/16/67/943571667.db2.gz XYTLELURWDJVTA-UHFFFAOYSA-N -1 1 367.430 3.939 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1OCC(F)F ZINC000435715301 943577374 /nfs/dbraw/zinc/57/73/74/943577374.db2.gz PKONCZOPWWSQKC-UHFFFAOYSA-N -1 1 366.389 3.620 20 30 FHEDMM CC(C)[C@H]1C[C@](NCc2ccc(C#N)cc2F)(C(=O)[O-])c2ccccc21 ZINC000417576853 943734549 /nfs/dbraw/zinc/73/45/49/943734549.db2.gz IGZIOPHGSLZBDQ-DYESRHJHSA-N -1 1 352.409 3.910 20 30 FHEDMM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435909144 943847103 /nfs/dbraw/zinc/84/71/03/943847103.db2.gz RXYJBDRSUFOTQR-OTYXRUKQSA-N -1 1 365.257 3.883 20 30 FHEDMM O=C(COCC(F)(F)F)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436459293 944327267 /nfs/dbraw/zinc/32/72/67/944327267.db2.gz KOHOVSQCDYBCNA-SNVBAGLBSA-N -1 1 367.648 3.778 20 30 FHEDMM C=CC[C@@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000426825143 944847767 /nfs/dbraw/zinc/84/77/67/944847767.db2.gz LDPXAIVPSKRRSH-CQSZACIVSA-N -1 1 350.212 3.828 20 30 FHEDMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436999561 944918063 /nfs/dbraw/zinc/91/80/63/944918063.db2.gz JSOIBVRRGFVOTL-OAHLLOKOSA-N -1 1 370.408 3.991 20 30 FHEDMM COc1ccc(Cl)c(-c2cc(C(=O)[N-]c3ccncc3C#N)on2)c1 ZINC001125954790 945039849 /nfs/dbraw/zinc/03/98/49/945039849.db2.gz DLSSKRMDIPUMEG-UHFFFAOYSA-N -1 1 354.753 3.523 20 30 FHEDMM CCc1nc(SCc2ccc(Br)cc2C#N)[n-]c(=O)c1C ZINC000579025924 945588064 /nfs/dbraw/zinc/58/80/64/945588064.db2.gz NALCKUPOWNSPFL-UHFFFAOYSA-N -1 1 364.268 3.980 20 30 FHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc(-n3cccn3)c2)s1 ZINC000519799840 945786674 /nfs/dbraw/zinc/78/66/74/945786674.db2.gz MXVYJUPVKRCDBD-CYBMUJFWSA-N -1 1 351.435 3.511 20 30 FHEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ncc2ccccc2c1[O-] ZINC000614728883 946137206 /nfs/dbraw/zinc/13/72/06/946137206.db2.gz LBKLKGFXBSJRTA-UHFFFAOYSA-N -1 1 364.449 3.936 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2F)o1 ZINC000520442962 947293986 /nfs/dbraw/zinc/29/39/86/947293986.db2.gz KSMUMCAXOYBQQK-GOSISDBHSA-N -1 1 370.405 3.553 20 30 FHEDMM C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1)C(C)C ZINC000728868758 947830262 /nfs/dbraw/zinc/83/02/62/947830262.db2.gz OUPIQKWHSVAWME-UHFFFAOYSA-N -1 1 372.490 3.832 20 30 FHEDMM N#Cc1nn(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)c2ccccc12 ZINC000432485593 948559650 /nfs/dbraw/zinc/55/96/50/948559650.db2.gz MKDDORZVAOKDOY-UHFFFAOYSA-N -1 1 373.397 3.927 20 30 FHEDMM Cc1ccc(Cc2nnc([N-]C(=O)c3ncc(C#N)cc3Cl)s2)cc1 ZINC000432498345 948604716 /nfs/dbraw/zinc/60/47/16/948604716.db2.gz XMABHWHXEFADIC-UHFFFAOYSA-N -1 1 369.837 3.610 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C(F)(F)F ZINC000619461477 568337852 /nfs/dbraw/zinc/33/78/52/568337852.db2.gz JRGPTFYGHVGNJH-UHFFFAOYSA-N -1 1 354.353 3.881 20 30 FHEDMM N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1nc2cc(F)ccc2s1 ZINC000604691246 568347018 /nfs/dbraw/zinc/34/70/18/568347018.db2.gz SVRCZWVMQMFRJA-CQSZACIVSA-N -1 1 363.377 3.506 20 30 FHEDMM CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000736305910 598819985 /nfs/dbraw/zinc/81/99/85/598819985.db2.gz YECCGHBGBCPRDZ-UHFFFAOYSA-N -1 1 365.850 3.919 20 30 FHEDMM CC[C@H](C)Oc1cc(C)ccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828759472 601644115 /nfs/dbraw/zinc/64/41/15/601644115.db2.gz UTADINKURKVBLD-YWZLYKJASA-N -1 1 352.434 3.960 20 30 FHEDMM C=CCN(Cc1cccc(C#N)c1)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000833375678 604607719 /nfs/dbraw/zinc/60/77/19/604607719.db2.gz CXUKBTBVSZCXKS-UHFFFAOYSA-N -1 1 364.445 3.827 20 30 FHEDMM CCCCCCCCCC(=O)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC000821048972 606237005 /nfs/dbraw/zinc/23/70/05/606237005.db2.gz HQXRYGLMFCIURH-UHFFFAOYSA-N -1 1 350.492 3.735 20 30 FHEDMM CCCCCCCCCC(=O)N(C)c1snc(C)c1-c1nn[n-]n1 ZINC000821048972 606237007 /nfs/dbraw/zinc/23/70/07/606237007.db2.gz HQXRYGLMFCIURH-UHFFFAOYSA-N -1 1 350.492 3.735 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(C(F)(F)F)c1 ZINC000822922021 606388131 /nfs/dbraw/zinc/38/81/31/606388131.db2.gz BUZNGFYMNYCOHQ-XQRVVYSFSA-N -1 1 350.325 3.843 20 30 FHEDMM C=C[C@H](C)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000819729786 606813480 /nfs/dbraw/zinc/81/34/80/606813480.db2.gz MTAPAQONGUIGMT-NSHDSACASA-N -1 1 369.812 3.617 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](c3ccccc3)C2(C)C)o1 ZINC000820198481 607170963 /nfs/dbraw/zinc/17/09/63/607170963.db2.gz XKHCOIAQCFWMNH-ZDUSSCGKSA-N -1 1 365.441 3.960 20 30 FHEDMM CC(C)c1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000824352369 607813730 /nfs/dbraw/zinc/81/37/30/607813730.db2.gz BFZQPVXYWVSGCP-FLIBITNWSA-N -1 1 352.419 3.710 20 30 FHEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OCC ZINC000825637902 608091934 /nfs/dbraw/zinc/09/19/34/608091934.db2.gz AVQWISPMZMEJNI-ALCCZGGFSA-N -1 1 370.434 3.622 20 30 FHEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OCC ZINC000825637902 608091935 /nfs/dbraw/zinc/09/19/35/608091935.db2.gz AVQWISPMZMEJNI-ALCCZGGFSA-N -1 1 370.434 3.622 20 30 FHEDMM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824271166 608092363 /nfs/dbraw/zinc/09/23/63/608092363.db2.gz MFXWYMYVOQCVIO-YVMONPNESA-N -1 1 354.435 3.859 20 30 FHEDMM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824271166 608092364 /nfs/dbraw/zinc/09/23/64/608092364.db2.gz MFXWYMYVOQCVIO-YVMONPNESA-N -1 1 354.435 3.859 20 30 FHEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000160186149 927150632 /nfs/dbraw/zinc/15/06/32/927150632.db2.gz UEKZXCCBERCNNI-LLVKDONJSA-N -1 1 368.245 3.973 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000471127605 927640930 /nfs/dbraw/zinc/64/09/30/927640930.db2.gz PPVVXJUXNYHLOS-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM CC(=O)NCc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430599543 932039854 /nfs/dbraw/zinc/03/98/54/932039854.db2.gz WASIWMTTYLACJO-OAHLLOKOSA-N -1 1 355.463 3.567 20 30 FHEDMM COCCOc1ccccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430605813 932110172 /nfs/dbraw/zinc/11/01/72/932110172.db2.gz ULIUPWLWIJGQEF-CQSZACIVSA-N -1 1 358.463 3.956 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1F ZINC000427113182 945099037 /nfs/dbraw/zinc/09/90/37/945099037.db2.gz HQHFKZMSERRACJ-UHFFFAOYSA-N -1 1 359.407 3.622 20 30 FHEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc2cc(Cl)ccc2s1 ZINC000119985596 935412708 /nfs/dbraw/zinc/41/27/08/935412708.db2.gz NFIYDABBTFRATK-GFCCVEGCSA-N -1 1 370.821 3.930 20 30 FHEDMM COc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)cc(Br)c1O ZINC000588535100 935882128 /nfs/dbraw/zinc/88/21/28/935882128.db2.gz MIFQOWOKEDOSHF-NYYWCZLTSA-N -1 1 361.191 3.691 20 30 FHEDMM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000076822038 936034907 /nfs/dbraw/zinc/03/49/07/936034907.db2.gz QYHHOIUWSQPUIU-INIZCTEOSA-N -1 1 365.824 3.731 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000179029391 938546856 /nfs/dbraw/zinc/54/68/56/938546856.db2.gz AVCWZPNKZGEPOA-UHFFFAOYSA-N -1 1 365.798 3.538 20 30 FHEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1C ZINC000134449420 938633839 /nfs/dbraw/zinc/63/38/39/938633839.db2.gz DFZCLHRMMMHAAV-UHFFFAOYSA-N -1 1 371.462 3.555 20 30 FHEDMM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1Br ZINC000070430524 938951045 /nfs/dbraw/zinc/95/10/45/938951045.db2.gz JYLTZRLSJLEJAD-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)n1 ZINC000102321041 938971133 /nfs/dbraw/zinc/97/11/33/938971133.db2.gz MDTSYNPOCHCBRW-UHFFFAOYSA-N -1 1 355.444 3.791 20 30 FHEDMM Cc1coc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000892424790 939063157 /nfs/dbraw/zinc/06/31/57/939063157.db2.gz RUCQAPILLWWIIA-NSHDSACASA-N -1 1 353.403 3.667 20 30 FHEDMM CCSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427256554 945233041 /nfs/dbraw/zinc/23/30/41/945233041.db2.gz LXKOMQHQMIMWBE-UHFFFAOYSA-N -1 1 350.440 3.751 20 30 FHEDMM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c2cccnc2c1C ZINC000437328978 945251869 /nfs/dbraw/zinc/25/18/69/945251869.db2.gz XFXGWUQWPAXMEV-UHFFFAOYSA-N -1 1 351.431 3.833 20 30 FHEDMM C#CCCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000179749949 939931151 /nfs/dbraw/zinc/93/11/51/939931151.db2.gz NRXVWVAUTQUPFK-UHFFFAOYSA-N -1 1 370.474 3.928 20 30 FHEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(CC2CC2)s1 ZINC000892493867 940050605 /nfs/dbraw/zinc/05/06/05/940050605.db2.gz ULTQTWBKFXJQLN-ZDUSSCGKSA-N -1 1 359.838 3.710 20 30 FHEDMM C=CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000472708552 941607723 /nfs/dbraw/zinc/60/77/23/941607723.db2.gz IYZCIXBOJMMDOX-UHFFFAOYSA-N -1 1 358.463 3.574 20 30 FHEDMM N#C[C@H](C(=O)C1=CCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000122486848 941771487 /nfs/dbraw/zinc/77/14/87/941771487.db2.gz DVYZZOROFFBZFC-CYBMUJFWSA-N -1 1 353.447 3.540 20 30 FHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000321666390 942013487 /nfs/dbraw/zinc/01/34/87/942013487.db2.gz OZHMXYVSCBOWBX-UHFFFAOYSA-N -1 1 350.827 3.800 20 30 FHEDMM COc1cc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc(Cl)c1[O-] ZINC000416342711 942684904 /nfs/dbraw/zinc/68/49/04/942684904.db2.gz PTAVUDKBDOJIJK-MRXNPFEDSA-N -1 1 356.809 3.733 20 30 FHEDMM Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000425225672 943017172 /nfs/dbraw/zinc/01/71/72/943017172.db2.gz DLAKZZRWSYWFDW-QGZVFWFLSA-N -1 1 364.417 3.987 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(C)s1 ZINC000435130220 943184072 /nfs/dbraw/zinc/18/40/72/943184072.db2.gz OPAIRYKUMPWOQW-UHFFFAOYSA-N -1 1 350.465 3.825 20 30 FHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C#N ZINC000435141570 943200631 /nfs/dbraw/zinc/20/06/31/943200631.db2.gz AFAHSNIFVXNUST-UHFFFAOYSA-N -1 1 350.827 3.800 20 30 FHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1F ZINC000435160261 943216325 /nfs/dbraw/zinc/21/63/25/943216325.db2.gz DSOCWPLDHCHLSF-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000435166368 943224948 /nfs/dbraw/zinc/22/49/48/943224948.db2.gz RBETWLWVBWQCAH-UHFFFAOYSA-N -1 1 362.279 3.656 20 30 FHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1C ZINC000416936709 943236024 /nfs/dbraw/zinc/23/60/24/943236024.db2.gz IIAMPWFQSWDLRH-CYBMUJFWSA-N -1 1 367.521 3.955 20 30 FHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 ZINC000416933662 943241592 /nfs/dbraw/zinc/24/15/92/943241592.db2.gz BHSPZOPEFMRPNA-BMGDILEWSA-N -1 1 350.484 3.826 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)s1 ZINC000435440475 943418063 /nfs/dbraw/zinc/41/80/63/943418063.db2.gz WYNVJPGPYJDFPN-LBPRGKRZSA-N -1 1 360.382 3.592 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)ccc1C#N ZINC000435718488 943578200 /nfs/dbraw/zinc/57/82/00/943578200.db2.gz FALDTWVXDVJPFB-UHFFFAOYSA-N -1 1 360.410 3.738 20 30 FHEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C ZINC000435720780 943579103 /nfs/dbraw/zinc/57/91/03/943579103.db2.gz DPZKWZBDYGHURZ-UHFFFAOYSA-N -1 1 350.827 3.638 20 30 FHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C#Cc2ccccn2)c1 ZINC000437408953 943784041 /nfs/dbraw/zinc/78/40/41/943784041.db2.gz VQZWHWJMWKSYOG-UHFFFAOYSA-N -1 1 366.417 3.730 20 30 FHEDMM C=C(C)CN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436741173 944569665 /nfs/dbraw/zinc/56/96/65/944569665.db2.gz RYJKDEOVNGEARI-IBGZPJMESA-N -1 1 366.461 3.575 20 30 FHEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2S[C@H](C)CC#N)c1 ZINC000436785129 944629281 /nfs/dbraw/zinc/62/92/81/944629281.db2.gz CKKIGBAIMFHTGT-GFCCVEGCSA-N -1 1 369.446 3.997 20 30 FHEDMM N#Cc1cccc(COc2ccc([N-]S(=O)(=O)c3ccsc3)cc2)c1 ZINC000506645438 944866279 /nfs/dbraw/zinc/86/62/79/944866279.db2.gz IYQQFLWUBRVGEZ-UHFFFAOYSA-N -1 1 370.455 4.000 20 30 FHEDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cc(C#N)ccc3Cl)[nH][n-]2)c1 ZINC000507191758 945034727 /nfs/dbraw/zinc/03/47/27/945034727.db2.gz BUYPFLUQXMGJMT-UHFFFAOYSA-N -1 1 354.772 3.724 20 30 FHEDMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)C1CCN(CC(F)(F)F)CC1 ZINC000330869157 947289058 /nfs/dbraw/zinc/28/90/58/947289058.db2.gz AROIJEIRLZRFNJ-VIFPVBQESA-N -1 1 366.330 3.638 20 30 FHEDMM C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000021007253 948664289 /nfs/dbraw/zinc/66/42/89/948664289.db2.gz VVYHELVQYHOYBC-UHFFFAOYSA-N -1 1 358.463 3.526 20 30 FHEDMM C=CCCO[C@H](C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445390144 948738901 /nfs/dbraw/zinc/73/89/01/948738901.db2.gz HKQQZBWTJJNNJH-SECBINFHSA-N -1 1 369.215 3.867 20 30 FHEDMM COc1cc(-c2noc(C3(C#N)CCCC3)n2)cc(Br)c1[O-] ZINC000445405653 948771322 /nfs/dbraw/zinc/77/13/22/948771322.db2.gz TWDMGGVVKSOHBX-UHFFFAOYSA-N -1 1 364.199 3.549 20 30 FHEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)oc1C ZINC000054294001 205199505 /nfs/dbraw/zinc/19/95/05/205199505.db2.gz GTMXELUDGMUXLH-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000436627254 568099513 /nfs/dbraw/zinc/09/95/13/568099513.db2.gz VLQTWCGZFWZREZ-UHFFFAOYSA-N -1 1 361.357 3.718 20 30 FHEDMM CN(C)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000609473256 568220580 /nfs/dbraw/zinc/22/05/80/568220580.db2.gz OXXWBDUZHPSQDV-UHFFFAOYSA-N -1 1 370.261 3.732 20 30 FHEDMM C=CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000604881500 568383770 /nfs/dbraw/zinc/38/37/70/568383770.db2.gz YZZUMYDEDVCWGO-INIZCTEOSA-N -1 1 372.490 3.799 20 30 FHEDMM N#Cc1ccc([C@@H](NCc2ccccc2OC2CCCC2)C(=O)[O-])cc1 ZINC000739104511 600595229 /nfs/dbraw/zinc/59/52/29/600595229.db2.gz BGMRESUIAMRSSY-HXUWFJFHSA-N -1 1 350.418 3.795 20 30 FHEDMM N#Cc1ccc([C@@H](NCc2cc(Cl)ccc2OC(F)F)C(=O)[O-])cc1 ZINC000833072993 600695418 /nfs/dbraw/zinc/69/54/18/600695418.db2.gz UGEHHEFRJAHRDA-OAHLLOKOSA-N -1 1 366.751 3.729 20 30 FHEDMM N#Cc1cccc([C@H](NCc2ccc(Oc3ccccc3)nc2)C(=O)[O-])c1 ZINC000833075369 601304655 /nfs/dbraw/zinc/30/46/55/601304655.db2.gz KVUKNGZDVNZVLO-FQEVSTJZSA-N -1 1 359.385 3.661 20 30 FHEDMM N#Cc1cccc([C@@H](NCc2cc(Cl)ccc2OC(F)F)C(=O)[O-])c1 ZINC000833076653 601307686 /nfs/dbraw/zinc/30/76/86/601307686.db2.gz XRNLVVNJMZMXRB-OAHLLOKOSA-N -1 1 366.751 3.729 20 30 FHEDMM C=CCN1C(=O)N=NC1SCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000825711276 601863834 /nfs/dbraw/zinc/86/38/34/601863834.db2.gz XBXWUJVLQRWGHT-UHFFFAOYSA-N -1 1 365.411 3.514 20 30 FHEDMM N#CC(C(=O)c1cccc(NC(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000739074928 603169594 /nfs/dbraw/zinc/16/95/94/603169594.db2.gz NMXHTPIJXVUXNF-CQSZACIVSA-N -1 1 364.386 3.785 20 30 FHEDMM C=CCN(Cc1ccc(O[C@H](C)C(=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000833374173 604607464 /nfs/dbraw/zinc/60/74/64/604607464.db2.gz BNSPTFJQJARGCF-MRXNPFEDSA-N -1 1 350.418 3.598 20 30 FHEDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000738156960 604882856 /nfs/dbraw/zinc/88/28/56/604882856.db2.gz NSBXFAZESMUAFQ-JTQLQIEISA-N -1 1 357.366 3.569 20 30 FHEDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000738156960 604882861 /nfs/dbraw/zinc/88/28/61/604882861.db2.gz NSBXFAZESMUAFQ-JTQLQIEISA-N -1 1 357.366 3.569 20 30 FHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000833386847 605156003 /nfs/dbraw/zinc/15/60/03/605156003.db2.gz YMSSGZTWHIHPRD-QHCPKHFHSA-N -1 1 350.827 3.612 20 30 FHEDMM COc1ccc([C@@H](C)C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000821777542 606165988 /nfs/dbraw/zinc/16/59/88/606165988.db2.gz HRKDKGWCASKFOQ-NSHDSACASA-N -1 1 369.429 3.578 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(Br)c1 ZINC000822924233 606388289 /nfs/dbraw/zinc/38/82/89/606388289.db2.gz ZISSJVJXHMGMCS-XQRVVYSFSA-N -1 1 361.224 3.587 20 30 FHEDMM CCOc1cccc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)oc21 ZINC000821431305 606388901 /nfs/dbraw/zinc/38/89/01/606388901.db2.gz OZPAUYHLIFSPRV-VURMDHGXSA-N -1 1 366.402 3.969 20 30 FHEDMM C[C@@H](CCc1ccccc1)CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820219874 606433792 /nfs/dbraw/zinc/43/37/92/606433792.db2.gz KQOGTBDXQDKTKM-ZDUSSCGKSA-N -1 1 367.457 3.819 20 30 FHEDMM CC(C)(C#N)CCCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000819892186 606826020 /nfs/dbraw/zinc/82/60/20/606826020.db2.gz YHXJORMOSZSPQT-UHFFFAOYSA-N -1 1 363.425 3.796 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccc(F)cc3)C2)o1 ZINC000820107844 607035534 /nfs/dbraw/zinc/03/55/34/607035534.db2.gz CSVXKQDEQOASQY-UHFFFAOYSA-N -1 1 369.404 3.538 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)ccc2Cl)o1 ZINC000824353019 607807670 /nfs/dbraw/zinc/80/76/70/607807670.db2.gz UHJTWXATIFRUFZ-UHFFFAOYSA-N -1 1 366.212 3.731 20 30 FHEDMM COc1ccc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2c1 ZINC000826213515 608093630 /nfs/dbraw/zinc/09/36/30/608093630.db2.gz ZNEHLWMOCPUJIA-XVNBXDOJSA-N -1 1 362.414 3.986 20 30 FHEDMM COc1ccc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2c1 ZINC000826213515 608093631 /nfs/dbraw/zinc/09/36/31/608093631.db2.gz ZNEHLWMOCPUJIA-XVNBXDOJSA-N -1 1 362.414 3.986 20 30 FHEDMM COc1ccc2oc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)cc2c1 ZINC000826213534 608109775 /nfs/dbraw/zinc/10/97/75/608109775.db2.gz AGIWMDUQTMABRR-DUXPYHPUSA-N -1 1 352.375 3.579 20 30 FHEDMM COc1ccc2oc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)cc2c1 ZINC000826213534 608109776 /nfs/dbraw/zinc/10/97/76/608109776.db2.gz AGIWMDUQTMABRR-DUXPYHPUSA-N -1 1 352.375 3.579 20 30 FHEDMM C=C(C)[C@@H](CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)OCC ZINC000823874392 608345875 /nfs/dbraw/zinc/34/58/75/608345875.db2.gz WAFGOUQXAKUIRB-GFCCVEGCSA-N -1 1 363.487 3.536 20 30 FHEDMM C=C(C)[C@@H](CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)OCC ZINC000823874392 608345876 /nfs/dbraw/zinc/34/58/76/608345876.db2.gz WAFGOUQXAKUIRB-GFCCVEGCSA-N -1 1 363.487 3.536 20 30 FHEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000307963669 931556120 /nfs/dbraw/zinc/55/61/20/931556120.db2.gz OXLBERMRLJMUJC-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1c(F)ccc([O-])c1F ZINC000581341905 931860899 /nfs/dbraw/zinc/86/08/99/931860899.db2.gz OMAYUWKIUMVOKB-UHFFFAOYSA-N -1 1 367.220 3.897 20 30 FHEDMM CC(=O)NCc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430599542 932039470 /nfs/dbraw/zinc/03/94/70/932039470.db2.gz WASIWMTTYLACJO-HNNXBMFYSA-N -1 1 355.463 3.567 20 30 FHEDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000134687991 933019999 /nfs/dbraw/zinc/01/99/99/933019999.db2.gz AOPHKUCLVFPSEI-UHFFFAOYSA-N -1 1 373.821 3.976 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OC2CCCC2)c(=O)o1 ZINC000255504952 935624660 /nfs/dbraw/zinc/62/46/60/935624660.db2.gz CYDBBSHUUZVRFH-QJSCKGPTSA-N -1 1 374.820 3.890 20 30 FHEDMM COC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)o1 ZINC000158754324 935962401 /nfs/dbraw/zinc/96/24/01/935962401.db2.gz PQVCZYKAEJGGJA-UHFFFAOYSA-N -1 1 358.419 3.911 20 30 FHEDMM N#Cc1ccc(C(=O)NCc2ccc(Oc3cccc(F)c3)nc2)cc1[O-] ZINC000187803291 936027960 /nfs/dbraw/zinc/02/79/60/936027960.db2.gz LCSUKRRHRCQEMY-UHFFFAOYSA-N -1 1 363.348 3.520 20 30 FHEDMM N#CC(=C([O-])c1ccn(-c2ccccc2Cl)n1)c1nc2ccccc2[nH]1 ZINC000051897177 936104712 /nfs/dbraw/zinc/10/47/12/936104712.db2.gz UPUBOLRKOAAZNR-GFCCVEGCSA-N -1 1 361.792 3.892 20 30 FHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Br)c(C)c3)nc1-2 ZINC000536069879 938301121 /nfs/dbraw/zinc/30/11/21/938301121.db2.gz ASUSANHKJPJODA-LBPRGKRZSA-N -1 1 369.222 3.827 20 30 FHEDMM N#CCCC[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000431626666 939023255 /nfs/dbraw/zinc/02/32/55/939023255.db2.gz WSRSOXMDAHQSGW-INIZCTEOSA-N -1 1 368.380 3.817 20 30 FHEDMM COCCOCc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1F ZINC000647378371 939079198 /nfs/dbraw/zinc/07/91/98/939079198.db2.gz SOROEFSDUMKCAW-HNNXBMFYSA-N -1 1 374.437 3.813 20 30 FHEDMM COCCOCc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647379888 939085377 /nfs/dbraw/zinc/08/53/77/939085377.db2.gz VMLDRPNGSJAPBH-INIZCTEOSA-N -1 1 356.447 3.674 20 30 FHEDMM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000427273561 945243366 /nfs/dbraw/zinc/24/33/66/945243366.db2.gz GSLWNBRXBJVZDJ-UHFFFAOYSA-N -1 1 356.831 3.873 20 30 FHEDMM N#Cc1ccc(Cl)c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000376061512 940256849 /nfs/dbraw/zinc/25/68/49/940256849.db2.gz IQRGTARLHSZOPJ-UHFFFAOYSA-N -1 1 368.820 3.652 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000180176889 940763762 /nfs/dbraw/zinc/76/37/62/940763762.db2.gz HYQFQNOWQSXBJR-UHFFFAOYSA-N -1 1 352.202 3.538 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1 ZINC000175776232 940926402 /nfs/dbraw/zinc/92/64/02/940926402.db2.gz IKDPHTGMYRVICO-UHFFFAOYSA-N -1 1 354.353 3.854 20 30 FHEDMM N#CC(=C([O-])c1ccc2ccc(Cl)cc2n1)c1nnc2n1CCCCC2 ZINC000176463314 941046775 /nfs/dbraw/zinc/04/67/75/941046775.db2.gz CXWDQUQTVNOSEP-AWEZNQCLSA-N -1 1 365.824 3.696 20 30 FHEDMM COCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177620755 941142043 /nfs/dbraw/zinc/14/20/43/941142043.db2.gz ZTMNBCZBFOGEJW-UHFFFAOYSA-N -1 1 370.352 3.524 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1[O-] ZINC000190031218 941378947 /nfs/dbraw/zinc/37/89/47/941378947.db2.gz ADQFCKUYXVCFHM-NRFANRHFSA-N -1 1 368.396 3.660 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[O-] ZINC000190031218 941378952 /nfs/dbraw/zinc/37/89/52/941378952.db2.gz ADQFCKUYXVCFHM-NRFANRHFSA-N -1 1 368.396 3.660 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C(F)(F)F ZINC000125556698 941410863 /nfs/dbraw/zinc/41/08/63/941410863.db2.gz XOIPFZUAFVMKLR-UHFFFAOYSA-N -1 1 354.353 3.881 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1OCC(F)F ZINC000513373759 941882500 /nfs/dbraw/zinc/88/25/00/941882500.db2.gz SPAAEKILASJWDB-UHFFFAOYSA-N -1 1 366.389 3.620 20 30 FHEDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183096011 942115998 /nfs/dbraw/zinc/11/59/98/942115998.db2.gz GQXWUCHKXQGCCE-UHFFFAOYSA-N -1 1 367.833 3.972 20 30 FHEDMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000190383955 942996855 /nfs/dbraw/zinc/99/68/55/942996855.db2.gz GYJIQPVXVYELAA-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)ccc2C2CC2)n1 ZINC000425303775 943257496 /nfs/dbraw/zinc/25/74/96/943257496.db2.gz PBHKRSGWEAVSDE-HNNXBMFYSA-N -1 1 354.431 3.996 20 30 FHEDMM CC(=Cc1ccc(Br)cc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435334431 943336953 /nfs/dbraw/zinc/33/69/53/943336953.db2.gz BCSISAZFJNDBMF-VMPITWQZSA-N -1 1 364.630 3.926 20 30 FHEDMM CC(=Cc1cc(Br)ccc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435342185 943343315 /nfs/dbraw/zinc/34/33/15/943343315.db2.gz DRJFNMDJKKDKJN-VMPITWQZSA-N -1 1 364.630 3.926 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(F)c1 ZINC000435486923 943442557 /nfs/dbraw/zinc/44/25/57/943442557.db2.gz MGYNEPLDPNDSOC-UHFFFAOYSA-N -1 1 363.172 3.944 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)ccc1C#N ZINC000435717529 943577762 /nfs/dbraw/zinc/57/77/62/943577762.db2.gz OLTJIOZILHUFIN-UHFFFAOYSA-N -1 1 354.353 3.772 20 30 FHEDMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)o1 ZINC000435755881 943604598 /nfs/dbraw/zinc/60/45/98/943604598.db2.gz NJZLRBYFUJYFGH-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435909146 943847512 /nfs/dbraw/zinc/84/75/12/943847512.db2.gz RXYJBDRSUFOTQR-YMTOWFKASA-N -1 1 365.257 3.883 20 30 FHEDMM CCc1cc(=O)[n-]c(SCc2ccc(Br)cc2C#N)n1 ZINC000566518908 943931536 /nfs/dbraw/zinc/93/15/36/943931536.db2.gz DRVVVNCGQITPCG-UHFFFAOYSA-N -1 1 350.241 3.671 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1OCC(F)F ZINC000303847240 944268596 /nfs/dbraw/zinc/26/85/96/944268596.db2.gz NWCSARANQSJJOQ-UHFFFAOYSA-N -1 1 366.389 3.620 20 30 FHEDMM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])c(CC)n2)cc1Cl ZINC000426666523 944373616 /nfs/dbraw/zinc/37/36/16/944373616.db2.gz SEQVDYODOKCHBC-UHFFFAOYSA-N -1 1 360.841 3.850 20 30 FHEDMM CCCCCCOc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000140186663 944521448 /nfs/dbraw/zinc/52/14/48/944521448.db2.gz NSDCWBMQZZXXIL-CFGKVWFZSA-N -1 1 356.418 3.874 20 30 FHEDMM C=CC[C@@H](CC)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000439376747 944570878 /nfs/dbraw/zinc/57/08/78/944570878.db2.gz KTSLIUZHOLELEO-OAHLLOKOSA-N -1 1 373.478 3.964 20 30 FHEDMM C=CCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436934835 944821265 /nfs/dbraw/zinc/82/12/65/944821265.db2.gz ULVMZLFVPSDCAJ-IBGZPJMESA-N -1 1 366.461 3.623 20 30 FHEDMM N#Cc1ccc(Oc2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)cc1 ZINC000436981197 944871959 /nfs/dbraw/zinc/87/19/59/944871959.db2.gz QCZRVYBJDSDDEZ-UHFFFAOYSA-N -1 1 358.353 3.878 20 30 FHEDMM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1ccc(C(F)(F)F)cn1 ZINC000519024016 945037541 /nfs/dbraw/zinc/03/75/41/945037541.db2.gz CJHCHPKFWAKIFH-LLVKDONJSA-N -1 1 352.337 3.725 20 30 FHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc4c3CC[C@H](C)C4)nc1-2 ZINC000330252216 945426840 /nfs/dbraw/zinc/42/68/40/945426840.db2.gz OFBZBNFTYIKJMF-GWCFXTLKSA-N -1 1 350.447 3.943 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000432282648 947072867 /nfs/dbraw/zinc/07/28/67/947072867.db2.gz CWYJKJUZMUYUSM-ZDUSSCGKSA-N -1 1 374.409 3.634 20 30 FHEDMM C=C(C)CN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000021443829 948791554 /nfs/dbraw/zinc/79/15/54/948791554.db2.gz GJYHFBDDWNZEKF-UHFFFAOYSA-N -1 1 358.463 3.526 20 30 FHEDMM CCOC(=O)[C@H](C(=O)CSc1ccc(C#N)c(C)c1)c1nc(C)cs1 ZINC000569120555 568278503 /nfs/dbraw/zinc/27/85/03/568278503.db2.gz YKQLLUBUIZVILX-MRXNPFEDSA-N -1 1 374.487 3.640 20 30 FHEDMM CCOC(=O)C(=C([O-])CSc1ccc(C#N)c(C)c1)c1nc(C)cs1 ZINC000569120555 568278505 /nfs/dbraw/zinc/27/85/05/568278505.db2.gz YKQLLUBUIZVILX-MRXNPFEDSA-N -1 1 374.487 3.640 20 30 FHEDMM CCC(Cc1ccc(C)cc1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736353126 598638888 /nfs/dbraw/zinc/63/88/88/598638888.db2.gz NROKSMNBVHIVFU-UHFFFAOYSA-N -1 1 367.457 3.881 20 30 FHEDMM CC(C)CCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736432323 600597566 /nfs/dbraw/zinc/59/75/66/600597566.db2.gz ZNCRNDHJOGUBEI-HXUWFJFHSA-N -1 1 352.434 3.899 20 30 FHEDMM N#Cc1ccc([C@H](NCc2cc(Cl)ccc2OC(F)F)C(=O)[O-])cc1 ZINC000833072992 600695532 /nfs/dbraw/zinc/69/55/32/600695532.db2.gz UGEHHEFRJAHRDA-HNNXBMFYSA-N -1 1 366.751 3.729 20 30 FHEDMM O=C([O-])N[C@@H]1CC(=NNc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000834158015 605742108 /nfs/dbraw/zinc/74/21/08/605742108.db2.gz OFJXQZANNABUAB-GFCCVEGCSA-N -1 1 350.300 3.629 20 30 FHEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)[C@H](C)c1ccccc1 ZINC000819782948 606034147 /nfs/dbraw/zinc/03/41/47/606034147.db2.gz RJWQQRBUDZRAFH-NSHDSACASA-N -1 1 353.430 3.744 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(C(F)(F)F)c1 ZINC000822922018 606388223 /nfs/dbraw/zinc/38/82/23/606388223.db2.gz BUZNGFYMNYCOHQ-GQCTYLIASA-N -1 1 350.325 3.843 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H](C)Cc2ccc(C(C)(C)C)cc2)o1 ZINC000826323223 607843762 /nfs/dbraw/zinc/84/37/62/607843762.db2.gz VMFTUTBTFYNGNB-LBPRGKRZSA-N -1 1 367.457 3.737 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCc2ccc(C(C)C)cc2)o1 ZINC000824347927 608015940 /nfs/dbraw/zinc/01/59/40/608015940.db2.gz SWODCCJPQLFHQR-UHFFFAOYSA-N -1 1 353.430 3.742 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c(Cl)oc3ccccc32)o1 ZINC000824352793 608053929 /nfs/dbraw/zinc/05/39/29/608053929.db2.gz OAOGZXZSEDXVHK-UHFFFAOYSA-N -1 1 371.788 3.824 20 30 FHEDMM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826401337 608093302 /nfs/dbraw/zinc/09/33/02/608093302.db2.gz WCCMHJIFXPRXCP-RQOWECAXSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826401337 608093303 /nfs/dbraw/zinc/09/33/03/608093303.db2.gz WCCMHJIFXPRXCP-RQOWECAXSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403625 608093317 /nfs/dbraw/zinc/09/33/17/608093317.db2.gz XJGTYYHXNGDQOP-UPHRSURJSA-N -1 1 367.253 3.648 20 30 FHEDMM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403625 608093318 /nfs/dbraw/zinc/09/33/18/608093318.db2.gz XJGTYYHXNGDQOP-UPHRSURJSA-N -1 1 367.253 3.648 20 30 FHEDMM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826292292 608093839 /nfs/dbraw/zinc/09/38/39/608093839.db2.gz OXSSUSGETMBKNB-ARJAWSKDSA-N -1 1 362.361 3.734 20 30 FHEDMM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826292292 608093840 /nfs/dbraw/zinc/09/38/40/608093840.db2.gz OXSSUSGETMBKNB-ARJAWSKDSA-N -1 1 362.361 3.734 20 30 FHEDMM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826399641 608093874 /nfs/dbraw/zinc/09/38/74/608093874.db2.gz BASCHWCNVYZHSY-RJRFIUFISA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826399641 608093875 /nfs/dbraw/zinc/09/38/75/608093875.db2.gz BASCHWCNVYZHSY-RJRFIUFISA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401166 608093961 /nfs/dbraw/zinc/09/39/61/608093961.db2.gz RGMGAZSEWZSISD-BQYQJAHWSA-N -1 1 359.414 3.886 20 30 FHEDMM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401166 608093962 /nfs/dbraw/zinc/09/39/62/608093962.db2.gz RGMGAZSEWZSISD-BQYQJAHWSA-N -1 1 359.414 3.886 20 30 FHEDMM CC(=NNc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958825 608094617 /nfs/dbraw/zinc/09/46/17/608094617.db2.gz YCEMVQVWBPKMKQ-UHFFFAOYSA-N -1 1 363.244 3.527 20 30 FHEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC(F)F ZINC000826297568 609309941 /nfs/dbraw/zinc/30/99/41/609309941.db2.gz LPAWSXKIYVOAFS-AATRIKPKSA-N -1 1 362.361 3.734 20 30 FHEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1OC(F)F ZINC000826297568 609309943 /nfs/dbraw/zinc/30/99/43/609309943.db2.gz LPAWSXKIYVOAFS-AATRIKPKSA-N -1 1 362.361 3.734 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)cn1 ZINC000506708892 945065914 /nfs/dbraw/zinc/06/59/14/945065914.db2.gz XPYLHJFJCYLNPV-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)SCC(=O)N3)n1 ZINC000564510337 937113650 /nfs/dbraw/zinc/11/36/50/937113650.db2.gz LZGJAGSGXMKAIX-NSHDSACASA-N -1 1 357.460 3.801 20 30 FHEDMM Cc1cc(NC(=O)C(C)(C)C)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000049405495 927034149 /nfs/dbraw/zinc/03/41/49/927034149.db2.gz BPLBTOAYFLKOMB-CYBMUJFWSA-N -1 1 370.478 3.938 20 30 FHEDMM COc1sc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1Br ZINC000160252943 928481071 /nfs/dbraw/zinc/48/10/71/928481071.db2.gz GRPSRTZIZGISLC-HWKANZROSA-N -1 1 355.209 3.827 20 30 FHEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000120505518 928694394 /nfs/dbraw/zinc/69/43/94/928694394.db2.gz PDAVPZNUCGGWJA-UHFFFAOYSA-N -1 1 372.189 3.574 20 30 FHEDMM Cn1ccnc1COc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1 ZINC000255165840 930135648 /nfs/dbraw/zinc/13/56/48/930135648.db2.gz MQZBIWVILRXVTO-WAPJZHGLSA-N -1 1 352.365 3.740 20 30 FHEDMM CON=Cc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc1 ZINC000588396300 931398565 /nfs/dbraw/zinc/39/85/65/931398565.db2.gz QQEGMJUUNYKYKA-UHFFFAOYSA-N -1 1 363.211 3.696 20 30 FHEDMM COCCOc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430602455 932057847 /nfs/dbraw/zinc/05/78/47/932057847.db2.gz LDCIXHJPSDERGC-OAHLLOKOSA-N -1 1 358.463 3.956 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000157866334 932431574 /nfs/dbraw/zinc/43/15/74/932431574.db2.gz FTLPJIFDHPIDRL-UHFFFAOYSA-N -1 1 354.353 3.772 20 30 FHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2CN2CCOCC2)n1 ZINC000430672297 932855463 /nfs/dbraw/zinc/85/54/63/932855463.db2.gz SPPXTTSGXVFKOC-QGZVFWFLSA-N -1 1 369.490 3.589 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1 ZINC000158730157 935939107 /nfs/dbraw/zinc/93/91/07/935939107.db2.gz YHTORJWUQXHKED-UHFFFAOYSA-N -1 1 362.410 3.590 20 30 FHEDMM C=CCn1c(Cc2csc(NC(=O)c3cccc(C)c3)n2)n[n-]c1=S ZINC000023041826 936088931 /nfs/dbraw/zinc/08/89/31/936088931.db2.gz JACCVCFNVABPBR-UHFFFAOYSA-N -1 1 371.491 3.735 20 30 FHEDMM C=CC[C@@H]1N(C(=O)CCc2c(C)nc(SC)[n-]c2=O)CCCC1(C)C ZINC000278411907 938397632 /nfs/dbraw/zinc/39/76/32/938397632.db2.gz NVSPBJVBMJDFTK-HNNXBMFYSA-N -1 1 363.527 3.738 20 30 FHEDMM Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427212148 945206820 /nfs/dbraw/zinc/20/68/20/945206820.db2.gz NQMUGVCTQHZTQX-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM N#C[C@@H](C(=O)C[C@@H]1C[C@H]1C1CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000892424670 939055403 /nfs/dbraw/zinc/05/54/03/939055403.db2.gz QUWWXAVOVSFQPR-UBHSHLNASA-N -1 1 367.474 3.888 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427329598 945288497 /nfs/dbraw/zinc/28/84/97/945288497.db2.gz LCSGKLYBYFKSMP-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nccnc2SC)cc1 ZINC000892501882 940116705 /nfs/dbraw/zinc/11/67/05/940116705.db2.gz RVOOUFXDZVPVDE-IUODEOHRSA-N -1 1 368.462 3.673 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)cc1[O-] ZINC000188759397 941076894 /nfs/dbraw/zinc/07/68/94/941076894.db2.gz PALUVLZCOJGHML-IBGZPJMESA-N -1 1 363.804 3.832 20 30 FHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc([C@H]3CCC(=O)N3)cc2)n1 ZINC000892802436 941569961 /nfs/dbraw/zinc/56/99/61/941569961.db2.gz MLZHDLUBDJMMGI-LSDHHAIUSA-N -1 1 353.447 3.708 20 30 FHEDMM Cc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000046706958 942171396 /nfs/dbraw/zinc/17/13/96/942171396.db2.gz NHKDIDOSIJYYGV-NSHDSACASA-N -1 1 369.471 3.723 20 30 FHEDMM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)n21 ZINC000651278015 942272718 /nfs/dbraw/zinc/27/27/18/942272718.db2.gz KOAQIJYRXSRGRX-OCCSQVGLSA-N -1 1 363.446 3.789 20 30 FHEDMM N#Cc1ccc(C(=O)N(Cc2cccc(Br)c2)C2CC2)cc1[O-] ZINC000190133947 942820092 /nfs/dbraw/zinc/82/00/92/942820092.db2.gz ACCIYWCRDVKITC-UHFFFAOYSA-N -1 1 371.234 3.831 20 30 FHEDMM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000425177643 942931909 /nfs/dbraw/zinc/93/19/09/942931909.db2.gz HRDOHRQLAGKLHH-UFBFGSQYSA-N -1 1 370.685 3.516 20 30 FHEDMM Cc1sc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1Br ZINC000425274953 943161001 /nfs/dbraw/zinc/16/10/01/943161001.db2.gz SEEQLXXBZLXLOT-SNVBAGLBSA-N -1 1 350.241 3.716 20 30 FHEDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2O1 ZINC000435731484 943574782 /nfs/dbraw/zinc/57/47/82/943574782.db2.gz JZIXNTWFYVPPRX-GOSISDBHSA-N -1 1 358.419 3.565 20 30 FHEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000515751215 944179063 /nfs/dbraw/zinc/17/90/63/944179063.db2.gz CIFYGCRTUKPRIA-AWEZNQCLSA-N -1 1 374.771 3.794 20 30 FHEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1[O-] ZINC000436516088 944404040 /nfs/dbraw/zinc/40/40/40/944404040.db2.gz URBHCOUXFBIZSC-UHFFFAOYSA-N -1 1 353.727 3.846 20 30 FHEDMM N#Cc1cccc(COc2cccc(CNCc3cc(C(=O)[O-])co3)c2)c1 ZINC000426688069 944686900 /nfs/dbraw/zinc/68/69/00/944686900.db2.gz NYWJKHXOGJEAFH-UHFFFAOYSA-N -1 1 362.385 3.718 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000438762080 944999017 /nfs/dbraw/zinc/99/90/17/944999017.db2.gz USTNNPGACAHMQV-CYBMUJFWSA-N -1 1 371.462 3.504 20 30 FHEDMM C=CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000110968110 945799643 /nfs/dbraw/zinc/79/96/43/945799643.db2.gz BDEVXEUVBXGEKY-UHFFFAOYSA-N -1 1 370.474 3.526 20 30 FHEDMM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504086 946439807 /nfs/dbraw/zinc/43/98/07/946439807.db2.gz LVCQHLKSWGJRHJ-CMDGGOBGSA-N -1 1 358.810 3.630 20 30 FHEDMM C=C[C@H](CC)CC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001573315383 947251437 /nfs/dbraw/zinc/25/14/37/947251437.db2.gz MFXDPPUEFMHWPJ-CYBMUJFWSA-N -1 1 364.409 3.595 20 30 FHEDMM C=C[C@H](CC)CC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001573315383 947251450 /nfs/dbraw/zinc/25/14/50/947251450.db2.gz MFXDPPUEFMHWPJ-CYBMUJFWSA-N -1 1 364.409 3.595 20 30 FHEDMM CSc1ccccc1CC(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826230924 947676851 /nfs/dbraw/zinc/67/68/51/947676851.db2.gz OYMDWHCAFIGNQA-UHFFFAOYSA-N -1 1 371.470 3.731 20 30 FHEDMM C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1)C(C)C ZINC000728869121 947833994 /nfs/dbraw/zinc/83/39/94/947833994.db2.gz WMJCHQXQPZWDSV-UHFFFAOYSA-N -1 1 372.490 3.832 20 30 FHEDMM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000408338960 948491451 /nfs/dbraw/zinc/49/14/51/948491451.db2.gz NKSFQUOHAKVDFV-RDDDGLTNSA-N -1 1 353.658 3.617 20 30 FHEDMM CCCCCCC[C@H](C)CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000729525004 948741919 /nfs/dbraw/zinc/74/19/19/948741919.db2.gz ZFBVWCYFEAZYQU-AWEZNQCLSA-N -1 1 360.502 3.707 20 30 FHEDMM Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000036744242 205020911 /nfs/dbraw/zinc/02/09/11/205020911.db2.gz RJBQUDFEMXMHCV-UHFFFAOYSA-N -1 1 358.368 3.514 20 30 FHEDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc2C)n1 ZINC000150805676 567841882 /nfs/dbraw/zinc/84/18/82/567841882.db2.gz PWAMDPLOPDRSEG-UHFFFAOYSA-N -1 1 367.430 3.939 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2c2ccccc2)o1 ZINC000735938559 598741133 /nfs/dbraw/zinc/74/11/33/598741133.db2.gz APONVRPXYSXQCW-CYBMUJFWSA-N -1 1 351.414 3.714 20 30 FHEDMM CN(Cc1ccccc1OC(F)(F)F)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830860278 601310561 /nfs/dbraw/zinc/31/05/61/601310561.db2.gz QGIHCNNFKJPLQM-MRXNPFEDSA-N -1 1 364.323 3.715 20 30 FHEDMM O=C([O-])c1cc(C=NN=c2[nH]c3cc(C(F)(F)F)ccc3s2)c[nH]1 ZINC000814858658 601797806 /nfs/dbraw/zinc/79/78/06/601797806.db2.gz BOHYHPVGWPCLFW-UHFFFAOYSA-N -1 1 354.313 3.787 20 30 FHEDMM N#CCC[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000826381495 607678752 /nfs/dbraw/zinc/67/87/52/607678752.db2.gz NYDLMGMZJKXRQO-INIZCTEOSA-N -1 1 355.405 3.872 20 30 FHEDMM N#CCC[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000826381495 607678754 /nfs/dbraw/zinc/67/87/54/607678754.db2.gz NYDLMGMZJKXRQO-INIZCTEOSA-N -1 1 355.405 3.872 20 30 FHEDMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(C#N)cc1Br)c1ccccc1 ZINC000833406095 605362399 /nfs/dbraw/zinc/36/23/99/605362399.db2.gz AIFMFPJUUSJZCZ-SJCJKPOMSA-N -1 1 373.250 3.872 20 30 FHEDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000832234484 605940279 /nfs/dbraw/zinc/94/02/79/605940279.db2.gz AGQLPTYFZOMZKR-ALOPSCKCSA-N -1 1 366.383 3.710 20 30 FHEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)[C@@H](C)c1ccccc1 ZINC000819782947 606034118 /nfs/dbraw/zinc/03/41/18/606034118.db2.gz RJWQQRBUDZRAFH-LLVKDONJSA-N -1 1 353.430 3.744 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2c3cccc(F)c3CC[C@H]2C)o1 ZINC000820728852 606237701 /nfs/dbraw/zinc/23/77/01/606237701.db2.gz ZLYBGHHKAPELNU-SNVBAGLBSA-N -1 1 369.404 3.516 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(CCc2ccc(Cl)cc2)C(C)C)o1 ZINC000822424664 606238061 /nfs/dbraw/zinc/23/80/61/606238061.db2.gz YOTIPISNQBYSRX-UHFFFAOYSA-N -1 1 373.848 3.873 20 30 FHEDMM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821421966 606392347 /nfs/dbraw/zinc/39/23/47/606392347.db2.gz JBSCMJGXNBWWCK-GQCTYLIASA-N -1 1 360.826 3.876 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1OC(F)F ZINC000822922703 606392691 /nfs/dbraw/zinc/39/26/91/606392691.db2.gz IPFPLPYRDNCLDC-GORDUTHDSA-N -1 1 366.324 3.565 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@H](C)CCc2ccccc2)o1 ZINC000820107707 606433786 /nfs/dbraw/zinc/43/37/86/606433786.db2.gz ADGRYYORBCPLFS-CQSZACIVSA-N -1 1 367.457 3.720 20 30 FHEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1cc2c(s1)CCC2 ZINC000819781961 606988027 /nfs/dbraw/zinc/98/80/27/606988027.db2.gz FTHWNCSETFDPLJ-UHFFFAOYSA-N -1 1 371.470 3.539 20 30 FHEDMM C[C@@H](CCN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccccc1 ZINC000824402141 607887442 /nfs/dbraw/zinc/88/74/42/607887442.db2.gz UWPKJWYFCHJSEH-LBPRGKRZSA-N -1 1 353.430 3.744 20 30 FHEDMM Cc1cc(Cl)cc(C)c1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826267335 607931139 /nfs/dbraw/zinc/93/11/39/607931139.db2.gz AJQXHVMVFAEPSO-UHFFFAOYSA-N -1 1 359.821 3.694 20 30 FHEDMM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400210 608093045 /nfs/dbraw/zinc/09/30/45/608093045.db2.gz SGJRDXFQKMNOGH-UTCJRWHESA-N -1 1 361.224 3.587 20 30 FHEDMM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400210 608093046 /nfs/dbraw/zinc/09/30/46/608093046.db2.gz SGJRDXFQKMNOGH-UTCJRWHESA-N -1 1 361.224 3.587 20 30 FHEDMM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826381609 608093762 /nfs/dbraw/zinc/09/37/62/608093762.db2.gz RRJNHGXZWZGZRH-SREVYHEPSA-N -1 1 365.418 3.507 20 30 FHEDMM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826381609 608093763 /nfs/dbraw/zinc/09/37/63/608093763.db2.gz RRJNHGXZWZGZRH-SREVYHEPSA-N -1 1 365.418 3.507 20 30 FHEDMM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826292293 608093803 /nfs/dbraw/zinc/09/38/03/608093803.db2.gz OXSSUSGETMBKNB-ONEGZZNKSA-N -1 1 362.361 3.734 20 30 FHEDMM Cc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826292293 608093804 /nfs/dbraw/zinc/09/38/04/608093804.db2.gz OXSSUSGETMBKNB-ONEGZZNKSA-N -1 1 362.361 3.734 20 30 FHEDMM C[C@@H]1CCn2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2C1 ZINC000580430047 930671120 /nfs/dbraw/zinc/67/11/20/930671120.db2.gz TTWOQMBEMLYNTQ-NEPJUHHUSA-N -1 1 369.375 3.700 20 30 FHEDMM CCc1occc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000430527987 931374771 /nfs/dbraw/zinc/37/47/71/931374771.db2.gz WAUALJWMHLXCRB-GFCCVEGCSA-N -1 1 367.430 3.921 20 30 FHEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)F ZINC000581135384 931610574 /nfs/dbraw/zinc/61/05/74/931610574.db2.gz OBAFKYUPQLZECU-UHFFFAOYSA-N -1 1 366.817 3.665 20 30 FHEDMM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430605849 932110332 /nfs/dbraw/zinc/11/03/32/932110332.db2.gz SRDDXVGUCSXHQO-AWEZNQCLSA-N -1 1 355.463 3.632 20 30 FHEDMM N#Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1Cl ZINC000548299151 932882553 /nfs/dbraw/zinc/88/25/53/932882553.db2.gz MKPAVICRRKVGTA-UHFFFAOYSA-N -1 1 351.587 3.932 20 30 FHEDMM CC(C)(C)CCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000121552577 933112423 /nfs/dbraw/zinc/11/24/23/933112423.db2.gz DTPRWLGICGNBKA-LBPRGKRZSA-N -1 1 357.479 3.866 20 30 FHEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000431183507 934046903 /nfs/dbraw/zinc/04/69/03/934046903.db2.gz REAIIKVZIADRIM-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM CCOC(=O)c1sc([N-]C(=O)c2cc(F)c(F)cc2F)c(C#N)c1C ZINC000610959009 934657460 /nfs/dbraw/zinc/65/74/60/934657460.db2.gz LYJUJJHIJORCNN-UHFFFAOYSA-N -1 1 368.336 3.775 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1F ZINC000427101845 945085531 /nfs/dbraw/zinc/08/55/31/945085531.db2.gz QQSAVXHPGCEQEY-UHFFFAOYSA-N -1 1 374.393 3.540 20 30 FHEDMM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000506722154 945100025 /nfs/dbraw/zinc/10/00/25/945100025.db2.gz OYBSRAAPJMTUPO-UHFFFAOYSA-N -1 1 371.443 3.916 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc(C(F)(F)F)c2)c(=O)o1 ZINC000588534811 935881360 /nfs/dbraw/zinc/88/13/60/935881360.db2.gz KRGVJBFCDUKMEU-PYLYLYNFSA-N -1 1 358.699 3.587 20 30 FHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cnc2ccc(Br)cn12 ZINC000588535105 935882336 /nfs/dbraw/zinc/88/23/36/935882336.db2.gz MSBZYTHXMPGHFE-IZZDOVSWSA-N -1 1 355.191 3.625 20 30 FHEDMM N#Cc1ccc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)cc1[O-] ZINC000187814322 936096116 /nfs/dbraw/zinc/09/61/16/936096116.db2.gz PXIZUDHIENCOIA-UHFFFAOYSA-N -1 1 363.348 3.520 20 30 FHEDMM C=C1CCC(C[N-]S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC001213652133 936103656 /nfs/dbraw/zinc/10/36/56/936103656.db2.gz PMBPKNVJEBWQCJ-UHFFFAOYSA-N -1 1 368.808 3.779 20 30 FHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Br)c(C)c3)nc1-2 ZINC000536069872 938301079 /nfs/dbraw/zinc/30/10/79/938301079.db2.gz ASUSANHKJPJODA-GFCCVEGCSA-N -1 1 369.222 3.827 20 30 FHEDMM C=CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000468406587 938994941 /nfs/dbraw/zinc/99/49/41/938994941.db2.gz WXEUMGXUBAQGSW-UHFFFAOYSA-N -1 1 372.490 3.800 20 30 FHEDMM N#Cc1ccc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cc1[O-] ZINC000188089424 939018088 /nfs/dbraw/zinc/01/80/88/939018088.db2.gz DKYYFHIYNWYHOD-UHFFFAOYSA-N -1 1 360.335 3.744 20 30 FHEDMM Cc1coc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000892424787 939062525 /nfs/dbraw/zinc/06/25/25/939062525.db2.gz RUCQAPILLWWIIA-LLVKDONJSA-N -1 1 353.403 3.667 20 30 FHEDMM CSc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccn12 ZINC000647377933 939083295 /nfs/dbraw/zinc/08/32/95/939083295.db2.gz BFCQJAZJRXDZIU-NSHDSACASA-N -1 1 354.460 3.880 20 30 FHEDMM COc1cc(/C=C\C(=O)c2ccc(C#N)s2)cc(Br)c1[O-] ZINC000255754755 939165539 /nfs/dbraw/zinc/16/55/39/939165539.db2.gz KRCDLMROPONBIP-RQOWECAXSA-N -1 1 364.220 3.993 20 30 FHEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnc(CC2CC2)s1 ZINC000892493866 940050731 /nfs/dbraw/zinc/05/07/31/940050731.db2.gz ULTQTWBKFXJQLN-CYBMUJFWSA-N -1 1 359.838 3.710 20 30 FHEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000548979671 940413906 /nfs/dbraw/zinc/41/39/06/940413906.db2.gz FNJMDJQDKYAIMA-UHFFFAOYSA-N -1 1 367.286 3.711 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)cc1[O-] ZINC000188618148 940421992 /nfs/dbraw/zinc/42/19/92/940421992.db2.gz XLOVUYCZUCMKNR-IBGZPJMESA-N -1 1 362.429 3.922 20 30 FHEDMM C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000189267661 941154428 /nfs/dbraw/zinc/15/44/28/941154428.db2.gz GEINDXDFFSOVFI-KPZWWZAWSA-N -1 1 356.809 3.519 20 30 FHEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)c1 ZINC000589174995 941238536 /nfs/dbraw/zinc/23/85/36/941238536.db2.gz ACIDXDDRLRFFAJ-UHFFFAOYSA-N -1 1 363.348 3.520 20 30 FHEDMM N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182876928 941977596 /nfs/dbraw/zinc/97/75/96/941977596.db2.gz SXJXLVKVTVYLPW-UHFFFAOYSA-N -1 1 357.797 3.665 20 30 FHEDMM N#Cc1ccc(Cl)c(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)c1 ZINC000501266491 942373183 /nfs/dbraw/zinc/37/31/83/942373183.db2.gz XRFXITIMMRTKPF-UHFFFAOYSA-N -1 1 358.735 3.554 20 30 FHEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000416531635 942920221 /nfs/dbraw/zinc/92/02/21/942920221.db2.gz PGVTVJUCIRFZBY-UHFFFAOYSA-N -1 1 354.781 3.577 20 30 FHEDMM CC(=Cc1ccc(Br)c(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337262 943339458 /nfs/dbraw/zinc/33/94/58/943339458.db2.gz VDUBHDKXRYQIHR-VMPITWQZSA-N -1 1 364.630 3.926 20 30 FHEDMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000517569451 944408588 /nfs/dbraw/zinc/40/85/88/944408588.db2.gz UWUUBHLJUUDZAU-UHFFFAOYSA-N -1 1 352.868 3.875 20 30 FHEDMM N#C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(Br)cc1 ZINC000436758700 944581482 /nfs/dbraw/zinc/58/14/82/944581482.db2.gz NKFAQQABEYMFRR-ZDUSSCGKSA-N -1 1 365.614 3.803 20 30 FHEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000436785863 944631598 /nfs/dbraw/zinc/63/15/98/944631598.db2.gz GYYXSGGKZCEOQU-LBPRGKRZSA-N -1 1 369.446 3.855 20 30 FHEDMM N#Cc1ccccc1COc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000426689729 944709603 /nfs/dbraw/zinc/70/96/03/944709603.db2.gz WWBKDLSVSFVCAM-UHFFFAOYSA-N -1 1 362.385 3.718 20 30 FHEDMM C=CCOc1ccccc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915186 944797010 /nfs/dbraw/zinc/79/70/10/944797010.db2.gz NJGFRDCTJVMKEX-UHFFFAOYSA-N -1 1 370.796 3.648 20 30 FHEDMM C=CCOc1ccccc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915186 944797015 /nfs/dbraw/zinc/79/70/15/944797015.db2.gz NJGFRDCTJVMKEX-UHFFFAOYSA-N -1 1 370.796 3.648 20 30 FHEDMM C=CCCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436934838 944821134 /nfs/dbraw/zinc/82/11/34/944821134.db2.gz ULVMZLFVPSDCAJ-LJQANCHMSA-N -1 1 366.461 3.623 20 30 FHEDMM O=C(N[C@H]1CCC(=O)NC12CCC2)c1ccc(Br)c([O-])c1 ZINC000328698375 946993505 /nfs/dbraw/zinc/99/35/05/946993505.db2.gz LSSWNDIWRYBPQA-LBPRGKRZSA-N -1 1 353.216 3.501 20 30 FHEDMM CCCCCCCCC(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000104985734 947726797 /nfs/dbraw/zinc/72/67/97/947726797.db2.gz RDOBBTSPCNWNCV-UHFFFAOYSA-N -1 1 356.488 3.756 20 30 FHEDMM N#Cc1ccc(Oc2cccc(NCc3ccnc(-c4nnn[n-]4)c3)c2)cc1 ZINC000826386025 948187984 /nfs/dbraw/zinc/18/79/84/948187984.db2.gz LSZJYACVRCEFNM-UHFFFAOYSA-N -1 1 369.388 3.538 20 30 FHEDMM N#Cc1ccc(Oc2cccc(NCc3ccnc(-c4nn[n-]n4)c3)c2)cc1 ZINC000826386025 948187989 /nfs/dbraw/zinc/18/79/89/948187989.db2.gz LSZJYACVRCEFNM-UHFFFAOYSA-N -1 1 369.388 3.538 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc1 ZINC000520617210 948409622 /nfs/dbraw/zinc/40/96/22/948409622.db2.gz RITQMUVMGPQKPQ-UHFFFAOYSA-N -1 1 364.426 3.938 20 30 FHEDMM C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000021007248 948663788 /nfs/dbraw/zinc/66/37/88/948663788.db2.gz LESDNSISPIQZQU-UHFFFAOYSA-N -1 1 372.490 3.834 20 30 FHEDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2s1 ZINC000108296911 206028961 /nfs/dbraw/zinc/02/89/61/206028961.db2.gz YSRXJBNLLHAXKQ-UHFFFAOYSA-N -1 1 363.851 3.931 20 30 FHEDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2C)n1 ZINC000150800701 567840961 /nfs/dbraw/zinc/84/09/61/567840961.db2.gz MWYBWSASBQUCCO-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)C(C)(C)c2ccc(F)cc2)o1 ZINC000735450881 599192069 /nfs/dbraw/zinc/19/20/69/599192069.db2.gz IBLICWXDJREBFT-UHFFFAOYSA-N -1 1 371.420 3.883 20 30 FHEDMM Cc1ccccc1C1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000822352131 599337476 /nfs/dbraw/zinc/33/74/76/599337476.db2.gz UVQQPDYUUIMKAL-UHFFFAOYSA-N -1 1 351.414 3.632 20 30 FHEDMM CC(C)CCOc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736432321 600597493 /nfs/dbraw/zinc/59/74/93/600597493.db2.gz ZNCRNDHJOGUBEI-FQEVSTJZSA-N -1 1 352.434 3.899 20 30 FHEDMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1Br ZINC000827718471 601297686 /nfs/dbraw/zinc/29/76/86/601297686.db2.gz SWSIJFXMARLCKX-BZNIZROVSA-N -1 1 359.223 3.797 20 30 FHEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1coc2ccccc12 ZINC000823962168 607652517 /nfs/dbraw/zinc/65/25/17/607652517.db2.gz HAWSFOCYZQWLIJ-UHFFFAOYSA-N -1 1 365.397 3.735 20 30 FHEDMM CC[C@@](C)(COc1ncccc1Cl)NCc1cccc(C(=O)[O-])c1C#N ZINC000833636769 604718173 /nfs/dbraw/zinc/71/81/73/604718173.db2.gz CQYCPIBRUATYPO-IBGZPJMESA-N -1 1 373.840 3.642 20 30 FHEDMM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc2cc(F)ccc2s1 ZINC000833064273 604884560 /nfs/dbraw/zinc/88/45/60/604884560.db2.gz QLZAFMJSVKCDPS-NSHDSACASA-N -1 1 358.325 3.763 20 30 FHEDMM C(=NNCc1ccc(-c2ccccc2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000819719079 606370359 /nfs/dbraw/zinc/37/03/59/606370359.db2.gz YSTNLVGTZDNIMB-UHFFFAOYSA-N -1 1 360.446 3.719 20 30 FHEDMM COc1ccc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)ccc2c1 ZINC000821854525 606387152 /nfs/dbraw/zinc/38/71/52/606387152.db2.gz LRNJWUCPXLVVIK-VURMDHGXSA-N -1 1 362.414 3.986 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Br)cc1 ZINC000822924257 606387845 /nfs/dbraw/zinc/38/78/45/606387845.db2.gz ZOSJWMYSPGDIKJ-ALCCZGGFSA-N -1 1 361.224 3.587 20 30 FHEDMM Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000822201138 607122555 /nfs/dbraw/zinc/12/25/55/607122555.db2.gz SCXWFUXCKWPJII-CSKARUKUSA-N -1 1 372.837 3.939 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@@H]3CCCc4cccc2c43)o1 ZINC000824353239 608109914 /nfs/dbraw/zinc/10/99/14/608109914.db2.gz ZKHJJBHIWZNUJK-LBPRGKRZSA-N -1 1 363.425 3.618 20 30 FHEDMM CC(C)CN(Cc1ccc(C#N)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000824261156 608180042 /nfs/dbraw/zinc/18/00/42/608180042.db2.gz CNJRJKPRASVPDI-UHFFFAOYSA-N -1 1 373.873 3.511 20 30 FHEDMM CC(C)CN(Cc1ccc(C#N)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000824261156 608180044 /nfs/dbraw/zinc/18/00/44/608180044.db2.gz CNJRJKPRASVPDI-UHFFFAOYSA-N -1 1 373.873 3.511 20 30 FHEDMM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826476014 608288757 /nfs/dbraw/zinc/28/87/57/608288757.db2.gz YUGLLDNSLQIZJZ-SOFGYWHQSA-N -1 1 373.235 3.513 20 30 FHEDMM N#CCOc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1 ZINC000023164659 937099837 /nfs/dbraw/zinc/09/98/37/937099837.db2.gz OEKNAIXVBTXXPJ-LREOWRDNSA-N -1 1 358.191 3.953 20 30 FHEDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000187034706 927859979 /nfs/dbraw/zinc/85/99/79/927859979.db2.gz GGVKYWXOISJMOZ-UHFFFAOYSA-N -1 1 367.833 3.972 20 30 FHEDMM C=CCn1c(-c2sc(NC(=O)[C@H]3C[C@H]3C3CC3)nc2C)n[n-]c1=S ZINC000175928102 930485888 /nfs/dbraw/zinc/48/58/88/930485888.db2.gz AXYSXXIQRVHKNB-QWRGUYRKSA-N -1 1 361.496 3.543 20 30 FHEDMM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1NC(=O)C(C)(C)C#N ZINC001143401769 932845608 /nfs/dbraw/zinc/84/56/08/932845608.db2.gz ZBKUGZTZMOZVRL-UHFFFAOYSA-N -1 1 368.277 3.796 20 30 FHEDMM N#CC(=C([O-])c1cccc(N2CCOC2=O)c1)c1nc2ccccc2s1 ZINC000097466105 934734462 /nfs/dbraw/zinc/73/44/62/934734462.db2.gz FWFDRLJBHQVOQK-CQSZACIVSA-N -1 1 363.398 3.743 20 30 FHEDMM CC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(SC(C)C)cc1 ZINC000728425612 934791798 /nfs/dbraw/zinc/79/17/98/934791798.db2.gz JZJCTJQEWNFMKH-UHFFFAOYSA-N -1 1 373.503 3.650 20 30 FHEDMM N#Cc1cc2c(nc1[N-]C(=O)c1cc(-c3cccc(F)c3)no1)CCCC2 ZINC000548520568 934812028 /nfs/dbraw/zinc/81/20/28/934812028.db2.gz ZWVCJXPZHQXMGT-UHFFFAOYSA-N -1 1 362.364 3.878 20 30 FHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000728440111 934895820 /nfs/dbraw/zinc/89/58/20/934895820.db2.gz JAVFATTWVAVKCB-FMQZQXMHSA-N -1 1 365.366 3.861 20 30 FHEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000427122863 945109552 /nfs/dbraw/zinc/10/95/52/945109552.db2.gz TZSSNWCYGYATKR-UHFFFAOYSA-N -1 1 368.817 3.940 20 30 FHEDMM COc1ccccc1-c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000255522453 935955689 /nfs/dbraw/zinc/95/56/89/935955689.db2.gz ARYGAPMIWAEJPJ-ZDKIGPTLSA-N -1 1 362.381 3.590 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccc(F)cc3C)o2)c(=O)o1 ZINC000255780471 939226433 /nfs/dbraw/zinc/22/64/33/939226433.db2.gz ZKHALGOIMKOJIL-OCTSTCLRSA-N -1 1 354.333 3.622 20 30 FHEDMM Cc1ccc(C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccn2)cc1 ZINC000188415907 939874039 /nfs/dbraw/zinc/87/40/39/939874039.db2.gz JBTHAAUTZZKWGK-HXUWFJFHSA-N -1 1 357.413 3.681 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000179644546 939905966 /nfs/dbraw/zinc/90/59/66/939905966.db2.gz XOCIQCAOOBZBMB-UHFFFAOYSA-N -1 1 356.234 3.678 20 30 FHEDMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc(C#N)c2)c1-c1cccc(Cl)c1 ZINC000612623514 940184594 /nfs/dbraw/zinc/18/45/94/940184594.db2.gz DIVILSQZOQIELX-UHFFFAOYSA-N -1 1 372.837 3.711 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1C ZINC000427350297 945305954 /nfs/dbraw/zinc/30/59/54/945305954.db2.gz QWLHQSSTLMAXPK-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000413990014 940369221 /nfs/dbraw/zinc/36/92/21/940369221.db2.gz RPXONODPNBONQB-MRXNPFEDSA-N -1 1 353.466 3.705 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)cc1[O-] ZINC000188618174 940422197 /nfs/dbraw/zinc/42/21/97/940422197.db2.gz XLOVUYCZUCMKNR-LJQANCHMSA-N -1 1 362.429 3.922 20 30 FHEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177620084 941139713 /nfs/dbraw/zinc/13/97/13/941139713.db2.gz TXGPPDSEQXXPHL-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000189267609 941154343 /nfs/dbraw/zinc/15/43/43/941154343.db2.gz GEINDXDFFSOVFI-SGTLLEGYSA-N -1 1 356.809 3.519 20 30 FHEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1cccc(C)c1 ZINC000513672800 942067151 /nfs/dbraw/zinc/06/71/51/942067151.db2.gz VHCGANMAOWFVKW-KRWDZBQOSA-N -1 1 369.428 3.866 20 30 FHEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000280006036 942084880 /nfs/dbraw/zinc/08/48/80/942084880.db2.gz SQPNUTAUOUKENB-UHFFFAOYSA-N -1 1 371.462 3.601 20 30 FHEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)[nH]n1 ZINC000434977695 943082012 /nfs/dbraw/zinc/08/20/12/943082012.db2.gz RLWQUHKBTJHFCF-UHFFFAOYSA-N -1 1 372.837 3.711 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)ccc1C#N ZINC000435725716 943582217 /nfs/dbraw/zinc/58/22/17/943582217.db2.gz IJCIKQSERDNTIU-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM N#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CCCCC1 ZINC000435905701 943838987 /nfs/dbraw/zinc/83/89/87/943838987.db2.gz BXUZXRDVYQHORW-CYBMUJFWSA-N -1 1 365.257 3.883 20 30 FHEDMM Cc1cc(C)n2nc(C(=O)[N-]c3sc(-c4ccccc4)cc3C#N)nc2n1 ZINC000120804235 944353675 /nfs/dbraw/zinc/35/36/75/944353675.db2.gz JSZVTKRIEXUXET-UHFFFAOYSA-N -1 1 374.429 3.594 20 30 FHEDMM N#Cc1ccccc1OC1CCC(NC(=O)c2cc(F)ccc2[O-])CC1 ZINC000436548697 944407375 /nfs/dbraw/zinc/40/73/75/944407375.db2.gz UFAULZHLMSCQIC-UHFFFAOYSA-N -1 1 354.381 3.523 20 30 FHEDMM Cc1nc(-c2ccc(N[C@H](CCC#N)c3ccccc3)nc2)[n-]c(=O)c1C ZINC000164304083 945681374 /nfs/dbraw/zinc/68/13/74/945681374.db2.gz UYYKHJSAQNCQKZ-GOSISDBHSA-N -1 1 359.433 3.906 20 30 FHEDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000520038318 946059000 /nfs/dbraw/zinc/05/90/00/946059000.db2.gz ZFHAOLQLRIVJHU-UHFFFAOYSA-N -1 1 373.434 3.759 20 30 FHEDMM CC(=NNc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823958076 946528624 /nfs/dbraw/zinc/52/86/24/946528624.db2.gz BATJYJQLYUQKHK-UHFFFAOYSA-N -1 1 370.335 3.922 20 30 FHEDMM CC(=NNc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958480 946528691 /nfs/dbraw/zinc/52/86/91/946528691.db2.gz ORGKMJQOLZFEAU-UHFFFAOYSA-N -1 1 352.345 3.783 20 30 FHEDMM COc1cc(-c2noc(-c3ccc(C#N)cc3)n2)cc(Br)c1[O-] ZINC000445389234 948737696 /nfs/dbraw/zinc/73/76/96/948737696.db2.gz FIIRAMGUJHATEO-UHFFFAOYSA-N -1 1 372.178 3.752 20 30 FHEDMM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)n1 ZINC000523983230 948761177 /nfs/dbraw/zinc/76/11/77/948761177.db2.gz BHWSYIOQZSFDMP-UHFFFAOYSA-N -1 1 368.418 3.532 20 30 FHEDMM CCOc1cc(-c2noc(-c3ccc(C#N)c(C)n3)n2)cc(Cl)c1[O-] ZINC000445407567 948775184 /nfs/dbraw/zinc/77/51/84/948775184.db2.gz OWEIZTZZLRNUDI-UHFFFAOYSA-N -1 1 356.769 3.736 20 30 FHEDMM CCOc1cc(-c2noc(CNc3ccc(C#N)cc3)n2)cc(Cl)c1[O-] ZINC000445429325 948792999 /nfs/dbraw/zinc/79/29/99/948792999.db2.gz CIIKJPONWXXFDQ-UHFFFAOYSA-N -1 1 370.796 3.978 20 30 FHEDMM O=C(COc1ccc(Cl)c2cccnc12)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266383 205181454 /nfs/dbraw/zinc/18/14/54/205181454.db2.gz QHDOATVVOBNALB-UHFFFAOYSA-N -1 1 371.706 3.692 20 30 FHEDMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000105165286 206004677 /nfs/dbraw/zinc/00/46/77/206004677.db2.gz ASAQEGNYHIIBJA-UHFFFAOYSA-N -1 1 363.446 3.621 20 30 FHEDMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000603420065 568095915 /nfs/dbraw/zinc/09/59/15/568095915.db2.gz YLOLHTZTMAJGHM-JLJPHGGASA-N -1 1 368.524 3.780 20 30 FHEDMM Oc1ccccc1C=NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000738400168 598825218 /nfs/dbraw/zinc/82/52/18/598825218.db2.gz FASMISDQCSHPLP-UDWIEESQSA-N -1 1 361.430 3.920 20 30 FHEDMM C=CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735438065 599215635 /nfs/dbraw/zinc/21/56/35/599215635.db2.gz WPGLRAYJZDJVEI-UHFFFAOYSA-N -1 1 356.769 3.655 20 30 FHEDMM N#Cc1cccc(COc2cccc(CNCc3ccc(C(=O)[O-])o3)c2)c1 ZINC000739134274 600525146 /nfs/dbraw/zinc/52/51/46/600525146.db2.gz ZTGTYPICGLDPRM-UHFFFAOYSA-N -1 1 362.385 3.718 20 30 FHEDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1Br ZINC000827718472 601297644 /nfs/dbraw/zinc/29/76/44/601297644.db2.gz SWSIJFXMARLCKX-MEDUHNTESA-N -1 1 359.223 3.797 20 30 FHEDMM N#Cc1cccc([C@H](NCc2ccc(OC3CCCCC3)nc2)C(=O)[O-])c1 ZINC000833075937 601304693 /nfs/dbraw/zinc/30/46/93/601304693.db2.gz OOXBXKYKXMEXTR-FQEVSTJZSA-N -1 1 365.433 3.580 20 30 FHEDMM CC(C)(C#N)c1ccccc1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000826081360 604672078 /nfs/dbraw/zinc/67/20/78/604672078.db2.gz PUMRDSRYNOCOJE-UHFFFAOYSA-N -1 1 372.852 3.934 20 30 FHEDMM CC(C)(C#N)c1ccccc1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000826081360 604672080 /nfs/dbraw/zinc/67/20/80/604672080.db2.gz PUMRDSRYNOCOJE-UHFFFAOYSA-N -1 1 372.852 3.934 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Br)s1 ZINC000822922997 606388260 /nfs/dbraw/zinc/38/82/60/606388260.db2.gz MACVMCRXIVKZCD-IWQZZHSRSA-N -1 1 367.253 3.648 20 30 FHEDMM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)ccc1SC ZINC000821703320 606390601 /nfs/dbraw/zinc/39/06/01/606390601.db2.gz ZCOSBXDOZRHJAC-XQRVVYSFSA-N -1 1 358.448 3.555 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1nc(-c2ccccc2)cs1 ZINC000822928273 606391400 /nfs/dbraw/zinc/39/14/00/606391400.db2.gz FYQNTLVGFWSZHX-VURMDHGXSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]c2cc(Cl)ccc12 ZINC000822922482 606391513 /nfs/dbraw/zinc/39/15/13/606391513.db2.gz GMGLUFJLCSUDFQ-GORDUTHDSA-N -1 1 355.810 3.959 20 30 FHEDMM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000822213132 606392746 /nfs/dbraw/zinc/39/27/46/606392746.db2.gz WCHVMPKTBUWRCP-FMIVXFBMSA-N -1 1 352.419 3.594 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(CCc2ccccc2)c2ccccc2)o1 ZINC000822424127 606820642 /nfs/dbraw/zinc/82/06/42/606820642.db2.gz RXSQTMAJLXTQAV-UHFFFAOYSA-N -1 1 373.420 3.612 20 30 FHEDMM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000822195215 606836041 /nfs/dbraw/zinc/83/60/41/606836041.db2.gz KELNUDKTAOVQQN-XFXZXTDPSA-N -1 1 352.419 3.594 20 30 FHEDMM Cc1oc2ccccc2c1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000826342699 607965263 /nfs/dbraw/zinc/96/52/63/607965263.db2.gz WNSUTJUWMSYZPA-UHFFFAOYSA-N -1 1 365.397 3.554 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCc3ccc(Cl)cc32)o1 ZINC000824352984 608054045 /nfs/dbraw/zinc/05/40/45/608054045.db2.gz SJGWSKLZWIDPHZ-UHFFFAOYSA-N -1 1 371.832 3.784 20 30 FHEDMM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826295744 608093008 /nfs/dbraw/zinc/09/30/08/608093008.db2.gz WCWDGMWUHRYGMX-WAYWQWQTSA-N -1 1 362.418 3.523 20 30 FHEDMM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826295744 608093009 /nfs/dbraw/zinc/09/30/09/608093009.db2.gz WCWDGMWUHRYGMX-WAYWQWQTSA-N -1 1 362.418 3.523 20 30 FHEDMM O=C(C=Cc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403151 608093096 /nfs/dbraw/zinc/09/30/96/608093096.db2.gz LBXASYYWFYHPCA-VOTSOKGWSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403151 608093097 /nfs/dbraw/zinc/09/30/97/608093097.db2.gz LBXASYYWFYHPCA-VOTSOKGWSA-N -1 1 365.443 3.948 20 30 FHEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc12 ZINC000826190508 608093470 /nfs/dbraw/zinc/09/34/70/608093470.db2.gz DLUBMINDYQYIAO-SOFGYWHQSA-N -1 1 362.414 3.986 20 30 FHEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc12 ZINC000826190508 608093471 /nfs/dbraw/zinc/09/34/71/608093471.db2.gz DLUBMINDYQYIAO-SOFGYWHQSA-N -1 1 362.414 3.986 20 30 FHEDMM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399973 608093836 /nfs/dbraw/zinc/09/38/36/608093836.db2.gz LUMGRKXIGUDCMD-UTCJRWHESA-N -1 1 350.325 3.843 20 30 FHEDMM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399973 608093837 /nfs/dbraw/zinc/09/38/37/608093837.db2.gz LUMGRKXIGUDCMD-UTCJRWHESA-N -1 1 350.325 3.843 20 30 FHEDMM Fc1cc(Cl)c(NN=Cc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000826372490 608476108 /nfs/dbraw/zinc/47/61/08/608476108.db2.gz YZQAPBACIRCSCS-UHFFFAOYSA-N -1 1 357.201 3.820 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CC(c3cccc(F)c3)C2)o1 ZINC000824279999 609372658 /nfs/dbraw/zinc/37/26/58/609372658.db2.gz AJVHXWNQRJDKFX-UHFFFAOYSA-N -1 1 369.404 3.538 20 30 FHEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000160174906 927086818 /nfs/dbraw/zinc/08/68/18/927086818.db2.gz SQPXFJOOUKGVNN-SECBINFHSA-N -1 1 368.245 3.973 20 30 FHEDMM O=S(=O)([N-]c1ccccc1)c1cccc(N=Cc2ccccc2O)c1 ZINC000254936671 930340598 /nfs/dbraw/zinc/34/05/98/930340598.db2.gz RCQOTHYRCJBHSG-UHFFFAOYSA-N -1 1 352.415 3.944 20 30 FHEDMM COCCOc1ccccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430605811 932110249 /nfs/dbraw/zinc/11/02/49/932110249.db2.gz ULIUPWLWIJGQEF-AWEZNQCLSA-N -1 1 358.463 3.956 20 30 FHEDMM N#C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C1CCCCC1 ZINC001266806347 932535610 /nfs/dbraw/zinc/53/56/10/932535610.db2.gz NHWAQZHMHWLODV-LBPRGKRZSA-N -1 1 372.213 3.525 20 30 FHEDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000134676121 932965123 /nfs/dbraw/zinc/96/51/23/932965123.db2.gz NWBSZGZSRONDKW-UHFFFAOYSA-N -1 1 373.821 3.976 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000431184132 934050405 /nfs/dbraw/zinc/05/04/05/934050405.db2.gz ZMLQPTUOPLRZLE-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM N#CC(=C([O-])c1cnc(Oc2ccccc2)cn1)c1nc2ccccc2[nH]1 ZINC000091104488 934807832 /nfs/dbraw/zinc/80/78/32/934807832.db2.gz GIOSXBZMKSTCFG-CQSZACIVSA-N -1 1 355.357 3.635 20 30 FHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C#N ZINC000479531235 935853094 /nfs/dbraw/zinc/85/30/94/935853094.db2.gz WOCIAVVIYUFJSN-UHFFFAOYSA-N -1 1 373.459 3.756 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000179029494 938547172 /nfs/dbraw/zinc/54/71/72/938547172.db2.gz QSFVVTMEPAODMX-UHFFFAOYSA-N -1 1 356.325 3.566 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)ccc1C#N ZINC000235892426 939014148 /nfs/dbraw/zinc/01/41/48/939014148.db2.gz NEMZSJAZHUOHMT-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM COCCOCc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647379889 939085270 /nfs/dbraw/zinc/08/52/70/939085270.db2.gz VMLDRPNGSJAPBH-MRXNPFEDSA-N -1 1 356.447 3.674 20 30 FHEDMM COc1ccc2oc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)c(C)c2c1 ZINC000188293399 939139816 /nfs/dbraw/zinc/13/98/16/939139816.db2.gz KINVSDQGEXAIKI-LBPRGKRZSA-N -1 1 350.374 3.818 20 30 FHEDMM COc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1OC1CCCC1 ZINC000188403177 939225488 /nfs/dbraw/zinc/22/54/88/939225488.db2.gz LXWGDVJJGFIPCW-UHFFFAOYSA-N -1 1 366.417 3.524 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1F ZINC000427273467 945243085 /nfs/dbraw/zinc/24/30/85/945243085.db2.gz GFPRFBPUAFVSFO-UHFFFAOYSA-N -1 1 369.377 3.685 20 30 FHEDMM Cc1ccc(C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccn2)cc1 ZINC000188415881 939874070 /nfs/dbraw/zinc/87/40/70/939874070.db2.gz JBTHAAUTZZKWGK-FQEVSTJZSA-N -1 1 357.413 3.681 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)cc1[O-] ZINC000188912209 941129601 /nfs/dbraw/zinc/12/96/01/941129601.db2.gz VRCPFRHCODSCAK-HNNXBMFYSA-N -1 1 367.474 3.619 20 30 FHEDMM N#C[C@@H](C(=O)C1=CCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000122487074 941771497 /nfs/dbraw/zinc/77/14/97/941771497.db2.gz DVYZZOROFFBZFC-ZDUSSCGKSA-N -1 1 353.447 3.540 20 30 FHEDMM COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Cl ZINC000513362610 941869853 /nfs/dbraw/zinc/86/98/53/941869853.db2.gz CHFGZZJFEPMSAX-UHFFFAOYSA-N -1 1 371.245 3.983 20 30 FHEDMM N#C[C@H](C(=O)C1CCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046706992 942171578 /nfs/dbraw/zinc/17/15/78/942171578.db2.gz JVPFMFXFOGPXOS-CYBMUJFWSA-N -1 1 355.463 3.620 20 30 FHEDMM N#CC(=C([O-])c1cccc2c1OCCCO2)c1cc(C(F)(F)F)ccn1 ZINC000651360716 942642086 /nfs/dbraw/zinc/64/20/86/942642086.db2.gz QRBMUJCNDMIUPM-CYBMUJFWSA-N -1 1 362.307 3.752 20 30 FHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1C#N ZINC000435137639 943190623 /nfs/dbraw/zinc/19/06/23/943190623.db2.gz NCYAYQGQSOIBAJ-UHFFFAOYSA-N -1 1 367.430 3.694 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)ccc1C#N ZINC000435751287 943585545 /nfs/dbraw/zinc/58/55/45/943585545.db2.gz FQDRZXXKQBJAOY-UHFFFAOYSA-N -1 1 353.403 3.686 20 30 FHEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000437500163 943865042 /nfs/dbraw/zinc/86/50/42/943865042.db2.gz QRCSAVISKAFZQV-UHFFFAOYSA-N -1 1 366.308 3.978 20 30 FHEDMM N#Cc1ccc(-n2ccc(NCc3cccc([O-])c3Cl)n2)c(Cl)c1 ZINC000436520272 944389612 /nfs/dbraw/zinc/38/96/12/944389612.db2.gz DQNHLEIYBIWVID-UHFFFAOYSA-N -1 1 359.216 3.790 20 30 FHEDMM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cn1 ZINC000112222389 944550814 /nfs/dbraw/zinc/55/08/14/944550814.db2.gz KDAHRWQEUQGQEC-INIZCTEOSA-N -1 1 355.401 3.558 20 30 FHEDMM C=C(C)C[C@@H](NC(C)=O)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000664846157 944685267 /nfs/dbraw/zinc/68/52/67/944685267.db2.gz PNRYNLXOHANQLH-CYBMUJFWSA-N -1 1 365.817 3.638 20 30 FHEDMM CC#CCCCc1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436874138 944741069 /nfs/dbraw/zinc/74/10/69/944741069.db2.gz PNZCZYGMMPNFMF-UHFFFAOYSA-N -1 1 351.200 3.559 20 30 FHEDMM COc1cc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)ccc1OCC(C)C ZINC000190437019 945518053 /nfs/dbraw/zinc/51/80/53/945518053.db2.gz LVJZRVOEZUDHJH-AWEZNQCLSA-N -1 1 368.433 3.798 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)c1 ZINC000520286521 946361496 /nfs/dbraw/zinc/36/14/96/946361496.db2.gz HOQCBDFZCOUEPR-UHFFFAOYSA-N -1 1 355.463 3.739 20 30 FHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c(C)c1C ZINC000481939811 568194171 /nfs/dbraw/zinc/19/41/71/568194171.db2.gz BQMYDUIBROBFHF-UHFFFAOYSA-N -1 1 350.827 3.638 20 30 FHEDMM C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000604881467 568383754 /nfs/dbraw/zinc/38/37/54/568383754.db2.gz VNHBZNJNQUQQDL-MRXNPFEDSA-N -1 1 372.490 3.799 20 30 FHEDMM C=CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000604881501 568383768 /nfs/dbraw/zinc/38/37/68/568383768.db2.gz YZZUMYDEDVCWGO-MRXNPFEDSA-N -1 1 372.490 3.799 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccccc3F)C2)o1 ZINC000819965631 599336460 /nfs/dbraw/zinc/33/64/60/599336460.db2.gz KNAMYDMNNUPGNA-UHFFFAOYSA-N -1 1 369.404 3.637 20 30 FHEDMM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c(F)c1 ZINC000739118209 599792097 /nfs/dbraw/zinc/79/20/97/599792097.db2.gz PBCDXCKNKRSZQR-OAHLLOKOSA-N -1 1 352.287 3.632 20 30 FHEDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1Br ZINC000736662902 600590186 /nfs/dbraw/zinc/59/01/86/600590186.db2.gz UQDZZBIPAGLWEM-BDJLRTHQSA-N -1 1 359.223 3.797 20 30 FHEDMM CC[C@@H](C)Oc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828759469 601643961 /nfs/dbraw/zinc/64/39/61/601643961.db2.gz UTADINKURKVBLD-FOIQADDNSA-N -1 1 352.434 3.960 20 30 FHEDMM N#CC(C(=O)c1ccc(NC(=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000739075906 603169261 /nfs/dbraw/zinc/16/92/61/603169261.db2.gz VWVRMAGIMWTVMV-AWEZNQCLSA-N -1 1 364.386 3.785 20 30 FHEDMM C(=NN=C1c2ccccc2-c2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000819719083 606368484 /nfs/dbraw/zinc/36/84/84/606368484.db2.gz YVBJCGDVXVRHEF-UHFFFAOYSA-N -1 1 356.414 3.780 20 30 FHEDMM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000825417798 608091704 /nfs/dbraw/zinc/09/17/04/608091704.db2.gz VEXMQNHFTAUUGO-SOFGYWHQSA-N -1 1 371.441 3.810 20 30 FHEDMM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000825417798 608091705 /nfs/dbraw/zinc/09/17/05/608091705.db2.gz VEXMQNHFTAUUGO-SOFGYWHQSA-N -1 1 371.441 3.810 20 30 FHEDMM CC1(C)CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2O1 ZINC000824808721 608092743 /nfs/dbraw/zinc/09/27/43/608092743.db2.gz XOCGXEPRHJIJHQ-HYXAFXHYSA-N -1 1 366.446 3.928 20 30 FHEDMM CC1(C)CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2O1 ZINC000824808721 608092744 /nfs/dbraw/zinc/09/27/44/608092744.db2.gz XOCGXEPRHJIJHQ-HYXAFXHYSA-N -1 1 366.446 3.928 20 30 FHEDMM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400738 608093952 /nfs/dbraw/zinc/09/39/52/608093952.db2.gz GSKTWSPFQKPDIV-HNQUOIGGSA-N -1 1 366.324 3.565 20 30 FHEDMM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400738 608093953 /nfs/dbraw/zinc/09/39/53/608093953.db2.gz GSKTWSPFQKPDIV-HNQUOIGGSA-N -1 1 366.324 3.565 20 30 FHEDMM Cc1csc([N-]C(=O)c2cc(COc3ccccc3F)on2)c1C#N ZINC000583108786 937126416 /nfs/dbraw/zinc/12/64/16/937126416.db2.gz YJODOAJMFYNXJG-UHFFFAOYSA-N -1 1 357.366 3.887 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000471135583 927735905 /nfs/dbraw/zinc/73/59/05/927735905.db2.gz CIVYNRIBIVCZNY-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM CC(=CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C1CC1 ZINC000254951189 928474189 /nfs/dbraw/zinc/47/41/89/928474189.db2.gz LRTVYAICAWGFHR-KJJQSCHISA-N -1 1 353.447 3.808 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CC2CCCCC2)n[nH]1 ZINC000471496565 930012071 /nfs/dbraw/zinc/01/20/71/930012071.db2.gz QJQRBCNPLHBVSP-UHFFFAOYSA-N -1 1 358.467 3.513 20 30 FHEDMM C[C@H]1CCn2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2C1 ZINC000580430049 930670904 /nfs/dbraw/zinc/67/09/04/930670904.db2.gz TTWOQMBEMLYNTQ-RYUDHWBXSA-N -1 1 369.375 3.700 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000610647631 933590935 /nfs/dbraw/zinc/59/09/35/933590935.db2.gz RMGJEWSJCMKSKO-UHFFFAOYSA-N -1 1 358.463 3.983 20 30 FHEDMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc2[nH]1 ZINC000119582871 934899436 /nfs/dbraw/zinc/89/94/36/934899436.db2.gz BMAJHSVENICGFQ-UHFFFAOYSA-N -1 1 354.435 3.533 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C(F)(F)F ZINC000427105310 945087343 /nfs/dbraw/zinc/08/73/43/945087343.db2.gz XKCZOICVVJQRQR-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM COc1ccccc1-c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000255522446 935955525 /nfs/dbraw/zinc/95/55/25/935955525.db2.gz ARYGAPMIWAEJPJ-ZAGZISDZSA-N -1 1 362.381 3.590 20 30 FHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000480092820 935960050 /nfs/dbraw/zinc/96/00/50/935960050.db2.gz GMAZWHNBDNPSEF-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000135698377 936127177 /nfs/dbraw/zinc/12/71/77/936127177.db2.gz NZMTXFKBXZBJFM-UHFFFAOYSA-N -1 1 363.442 3.653 20 30 FHEDMM CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000582905515 936279092 /nfs/dbraw/zinc/27/90/92/936279092.db2.gz RITLXMKGNBRVNV-UHFFFAOYSA-N -1 1 372.446 3.509 20 30 FHEDMM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC001211589585 938310275 /nfs/dbraw/zinc/31/02/75/938310275.db2.gz XTGTZJFVVDGEGS-UHFFFAOYSA-N -1 1 359.072 3.610 20 30 FHEDMM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163936131 938971846 /nfs/dbraw/zinc/97/18/46/938971846.db2.gz MISFASFRRWFREV-OAHLLOKOSA-N -1 1 371.506 3.651 20 30 FHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000685424176 938985659 /nfs/dbraw/zinc/98/56/59/938985659.db2.gz UNGKNABRXYSFQX-UHFFFAOYSA-N -1 1 368.820 3.652 20 30 FHEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c2ccccc12 ZINC000511301798 938995383 /nfs/dbraw/zinc/99/53/83/938995383.db2.gz SBCGWSQGWVZMFJ-UHFFFAOYSA-N -1 1 352.415 3.911 20 30 FHEDMM N#CC(=C([O-])c1cccc(NC(=O)C2CC2)c1)c1nc(C2CC2)cs1 ZINC000647375745 939077061 /nfs/dbraw/zinc/07/70/61/939077061.db2.gz DWBFBVKJNVXXLZ-OAHLLOKOSA-N -1 1 351.431 3.859 20 30 FHEDMM N#C[C@@H](C(=O)C=Cc1ccco1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000255768972 939193698 /nfs/dbraw/zinc/19/36/98/939193698.db2.gz HTOVQRKUCMJVBZ-WSROAFLRSA-N -1 1 365.414 3.758 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccs3)cc2F)c(=O)o1 ZINC000255769657 939195126 /nfs/dbraw/zinc/19/51/26/939195126.db2.gz JEJRSTHZLYHIAV-MJRGOJFPSA-N -1 1 356.374 3.782 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000179644684 939905926 /nfs/dbraw/zinc/90/59/26/939905926.db2.gz GOUGIIZSHYVCJN-UHFFFAOYSA-N -1 1 356.234 3.678 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)ccc1C#N ZINC000582040882 940644350 /nfs/dbraw/zinc/64/43/50/940644350.db2.gz YVFSNNLOMCYPBM-UHFFFAOYSA-N -1 1 355.419 3.932 20 30 FHEDMM Cc1cc(C)c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000175089473 940810155 /nfs/dbraw/zinc/81/01/55/940810155.db2.gz QFWWKGPHEPPKBV-GFCCVEGCSA-N -1 1 367.430 3.563 20 30 FHEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 ZINC000177622426 941142324 /nfs/dbraw/zinc/14/23/24/941142324.db2.gz REPILGBKBHHRCA-UHFFFAOYSA-N -1 1 370.352 3.695 20 30 FHEDMM CCOc1cccc2cc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)oc21 ZINC000189909819 941299282 /nfs/dbraw/zinc/29/92/82/941299282.db2.gz FFKFUWKCQWUBAO-LBPRGKRZSA-N -1 1 350.374 3.900 20 30 FHEDMM N#Cc1ccc(N2CC[C@@H](c3nc(-c4ccc([O-])c(F)c4)no3)C2)c(F)c1 ZINC000377459587 941739819 /nfs/dbraw/zinc/73/98/19/941739819.db2.gz JWARGNMCDJEGTJ-CYBMUJFWSA-N -1 1 368.343 3.586 20 30 FHEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000892977028 941830690 /nfs/dbraw/zinc/83/06/90/941830690.db2.gz MFPDWCIJRMDMOP-OAHLLOKOSA-N -1 1 373.840 3.726 20 30 FHEDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[nH]n1 ZINC000183089215 942098465 /nfs/dbraw/zinc/09/84/65/942098465.db2.gz KPZAAZVHUVSJRG-SNVBAGLBSA-N -1 1 352.847 3.639 20 30 FHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(-n3cc[nH]c3=O)c2)s1 ZINC000651353054 942554038 /nfs/dbraw/zinc/55/40/38/942554038.db2.gz SLMCSOWXYUQMPY-CQSZACIVSA-N -1 1 366.446 3.822 20 30 FHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C#N ZINC000435137461 943189212 /nfs/dbraw/zinc/18/92/12/943189212.db2.gz MEQULLPKVKVNEA-UHFFFAOYSA-N -1 1 350.827 3.800 20 30 FHEDMM CN(Cc1cccc(C#N)c1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000514680144 943196125 /nfs/dbraw/zinc/19/61/25/943196125.db2.gz NPOYQEYQKBQEQC-UHFFFAOYSA-N -1 1 351.793 3.738 20 30 FHEDMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435163177 943224233 /nfs/dbraw/zinc/22/42/33/943224233.db2.gz VZZPMEWYSHGHFN-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3ccc(C#N)s3)cc2s1 ZINC000435478919 943448801 /nfs/dbraw/zinc/44/88/01/943448801.db2.gz ADOWJRZRWBLSRM-UHFFFAOYSA-N -1 1 369.880 3.992 20 30 FHEDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2[nH]1 ZINC000435501058 943458017 /nfs/dbraw/zinc/45/80/17/943458017.db2.gz NNUYAEJKEYJZGV-UHFFFAOYSA-N -1 1 360.464 3.639 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)ccc1C#N ZINC000435722549 943580543 /nfs/dbraw/zinc/58/05/43/943580543.db2.gz NKXLTWQNWVQPON-UHFFFAOYSA-N -1 1 370.352 3.609 20 30 FHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(CC)ccc2CC)c1 ZINC000435969247 943892539 /nfs/dbraw/zinc/89/25/39/943892539.db2.gz DOYDEOZKCSQWPF-UHFFFAOYSA-N -1 1 372.490 3.528 20 30 FHEDMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1-c1cccc(C#N)c1 ZINC000436529598 944396669 /nfs/dbraw/zinc/39/66/69/944396669.db2.gz ADYCDIAVTJFSBL-UHFFFAOYSA-N -1 1 352.781 3.664 20 30 FHEDMM N#C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1Cl ZINC000436551425 944411015 /nfs/dbraw/zinc/41/10/15/944411015.db2.gz YUZUKFFHQHZUHD-CYBMUJFWSA-N -1 1 365.614 3.803 20 30 FHEDMM C=CCn1cccc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436744414 944573246 /nfs/dbraw/zinc/57/32/46/944573246.db2.gz MAXPXEOJACEYDF-UHFFFAOYSA-N -1 1 367.449 3.695 20 30 FHEDMM C=CCNC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436764292 944614766 /nfs/dbraw/zinc/61/47/66/944614766.db2.gz PYJHSPLACYEYSG-UHFFFAOYSA-N -1 1 364.323 3.579 20 30 FHEDMM N#C[C@]1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCc2ccccc2C1 ZINC000436912921 944781794 /nfs/dbraw/zinc/78/17/94/944781794.db2.gz FBFSLBFRMNKBFW-SFHVURJKSA-N -1 1 360.335 3.592 20 30 FHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc4c3CC[C@@H](C)C4)nc1-2 ZINC000330252220 945426685 /nfs/dbraw/zinc/42/66/85/945426685.db2.gz OFBZBNFTYIKJMF-ZWNOBZJWSA-N -1 1 350.447 3.943 20 30 FHEDMM Cc1cc(F)cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000432214450 945529325 /nfs/dbraw/zinc/52/93/25/945529325.db2.gz UDGUNFKHJPNJJI-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000184154475 945861060 /nfs/dbraw/zinc/86/10/60/945861060.db2.gz UHWHFASISFLMKM-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(C)(C)C)cc2)n1 ZINC000432228509 946269851 /nfs/dbraw/zinc/26/98/51/946269851.db2.gz JYTPMNIWEHIGDS-CQSZACIVSA-N -1 1 372.446 3.987 20 30 FHEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2c(Cl)cccc21 ZINC000823503547 946439322 /nfs/dbraw/zinc/43/93/22/946439322.db2.gz GUSXRVMEWKKPHZ-SOFGYWHQSA-N -1 1 360.851 3.954 20 30 FHEDMM O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1cncc([O-])c1 ZINC000328817008 947035610 /nfs/dbraw/zinc/03/56/10/947035610.db2.gz OUQFXDVEHSXJSK-OAHLLOKOSA-N -1 1 372.425 3.576 20 30 FHEDMM Cc1ccc(F)c(-c2cc(=NC(=O)CSc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000444777132 947212673 /nfs/dbraw/zinc/21/26/73/947212673.db2.gz DPUBMXPPFZGXSZ-UHFFFAOYSA-N -1 1 366.421 3.549 20 30 FHEDMM CC(CCc1ccccc1F)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000735993447 598925869 /nfs/dbraw/zinc/92/58/69/598925869.db2.gz SGFPKZPFSGYCKM-UHFFFAOYSA-N -1 1 371.420 3.712 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(CC(C)C)c2ccc(Cl)cc2)o1 ZINC000737466909 598936800 /nfs/dbraw/zinc/93/68/00/598936800.db2.gz GWHZEUSEKLZECT-UHFFFAOYSA-N -1 1 359.821 3.679 20 30 FHEDMM N#CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000833068483 600746867 /nfs/dbraw/zinc/74/68/67/600746867.db2.gz ZNBKIJGYPFHCQI-INIZCTEOSA-N -1 1 365.216 3.811 20 30 FHEDMM CC[C@H](C)Oc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828759470 601643820 /nfs/dbraw/zinc/64/38/20/601643820.db2.gz UTADINKURKVBLD-MGPUTAFESA-N -1 1 352.434 3.960 20 30 FHEDMM CC[C@H](C)Oc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828758046 601643984 /nfs/dbraw/zinc/64/39/84/601643984.db2.gz GHCJTFUNIQGDIP-YWZLYKJASA-N -1 1 352.434 3.960 20 30 FHEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000833386952 605101117 /nfs/dbraw/zinc/10/11/17/605101117.db2.gz DRKHNWUOTWAFMC-UHFFFAOYSA-N -1 1 352.394 3.505 20 30 FHEDMM CC(=NNc1cccc(C(=O)[O-])c1)c1cc(Br)cc(F)c1O ZINC000783772108 605328596 /nfs/dbraw/zinc/32/85/96/605328596.db2.gz JUETTXUFRVZSIZ-UHFFFAOYSA-N -1 1 367.174 3.828 20 30 FHEDMM Cc1nc(C(C)C)sc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000819782599 606202674 /nfs/dbraw/zinc/20/26/74/606202674.db2.gz OSNYSJNWYNAUJV-UHFFFAOYSA-N -1 1 374.474 3.703 20 30 FHEDMM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825739 606387909 /nfs/dbraw/zinc/38/79/09/606387909.db2.gz NOKBLSCIKLYRHX-WAKDDQPJSA-N -1 1 365.443 3.691 20 30 FHEDMM Cc1cc(Cl)cc2c1OCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822202192 606391126 /nfs/dbraw/zinc/39/11/26/606391126.db2.gz OQLOBENYIDOTBT-UITAMQMPSA-N -1 1 358.810 3.549 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1c[nH]c2cc(Cl)ccc12 ZINC000822922478 606391657 /nfs/dbraw/zinc/39/16/57/606391657.db2.gz GMGLUFJLCSUDFQ-DJWKRKHSSA-N -1 1 355.810 3.959 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(-c2ccncc2)cc1 ZINC000822923001 606392664 /nfs/dbraw/zinc/39/26/64/606392664.db2.gz MDXFXDHJLHDBLO-FNORWQNLSA-N -1 1 359.414 3.886 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(-c2ccncc2)cc1 ZINC000822923000 606392936 /nfs/dbraw/zinc/39/29/36/606392936.db2.gz MDXFXDHJLHDBLO-ALCCZGGFSA-N -1 1 359.414 3.886 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccc(F)cc3)C2)o1 ZINC000819965978 607035528 /nfs/dbraw/zinc/03/55/28/607035528.db2.gz RCJVNMANMUFPTB-UHFFFAOYSA-N -1 1 369.404 3.637 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@H](C)Cc2ccc(C(C)(C)C)cc2)o1 ZINC000826323222 607844037 /nfs/dbraw/zinc/84/40/37/607844037.db2.gz VMFTUTBTFYNGNB-GFCCVEGCSA-N -1 1 367.457 3.737 20 30 FHEDMM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826295743 608092922 /nfs/dbraw/zinc/09/29/22/608092922.db2.gz WCWDGMWUHRYGMX-AATRIKPKSA-N -1 1 362.418 3.523 20 30 FHEDMM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826295743 608092923 /nfs/dbraw/zinc/09/29/23/608092923.db2.gz WCWDGMWUHRYGMX-AATRIKPKSA-N -1 1 362.418 3.523 20 30 FHEDMM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401008 608094254 /nfs/dbraw/zinc/09/42/54/608094254.db2.gz NAEMWAQCUMJGTI-PLNGDYQASA-N -1 1 350.325 3.843 20 30 FHEDMM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401008 608094255 /nfs/dbraw/zinc/09/42/55/608094255.db2.gz NAEMWAQCUMJGTI-PLNGDYQASA-N -1 1 350.325 3.843 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H](C)c2cccc(Cl)c2)o1 ZINC000824352455 608110040 /nfs/dbraw/zinc/11/00/40/608110040.db2.gz DWTBCGDXXYWLHG-SNVBAGLBSA-N -1 1 359.821 3.833 20 30 FHEDMM C=CC[C@@H]1CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000890565200 927820242 /nfs/dbraw/zinc/82/02/42/927820242.db2.gz YXZPDOYVDGOMGN-QGZVFWFLSA-N -1 1 370.474 3.586 20 30 FHEDMM Cc1cnc(F)c(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1 ZINC001211498348 927984559 /nfs/dbraw/zinc/98/45/59/927984559.db2.gz GLLFKIQAGMJXDJ-DJKKODMXSA-N -1 1 355.398 3.808 20 30 FHEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1Cl ZINC000435756002 937266663 /nfs/dbraw/zinc/26/66/63/937266663.db2.gz OOHSXUYNXLRFKN-UHFFFAOYSA-N -1 1 350.827 3.720 20 30 FHEDMM C=CC[S@@](=O)(=NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000891376771 931950421 /nfs/dbraw/zinc/95/04/21/931950421.db2.gz NFTJVZMHWLDUOV-SANMLTNESA-N -1 1 373.478 3.641 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)O[C@H](C#N)C(C)C)cc2)cc1 ZINC000176042811 933849782 /nfs/dbraw/zinc/84/97/82/933849782.db2.gz YINDEKXVRWSHMX-GOSISDBHSA-N -1 1 372.446 3.501 20 30 FHEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000551477461 935290354 /nfs/dbraw/zinc/29/03/54/935290354.db2.gz MENRESHEQFCGCS-UHFFFAOYSA-N -1 1 363.172 3.944 20 30 FHEDMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000511201923 936173986 /nfs/dbraw/zinc/17/39/86/936173986.db2.gz PGRXFYURBQHWCO-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)s1 ZINC000178707332 936294213 /nfs/dbraw/zinc/29/42/13/936294213.db2.gz VIAYQAMRGSGUCT-SNVBAGLBSA-N -1 1 351.790 3.514 20 30 FHEDMM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000583665357 938348673 /nfs/dbraw/zinc/34/86/73/938348673.db2.gz SKTCKDSBOHNPBY-UHFFFAOYSA-N -1 1 373.236 3.525 20 30 FHEDMM C=CCSCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151113294 938371085 /nfs/dbraw/zinc/37/10/85/938371085.db2.gz DNCCFRCPLHWFHS-UHFFFAOYSA-N -1 1 359.822 3.556 20 30 FHEDMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc21 ZINC000427210387 945203248 /nfs/dbraw/zinc/20/32/48/945203248.db2.gz RTPPIYDKLXBPAU-UHFFFAOYSA-N -1 1 357.410 3.863 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCCC2 ZINC000584404065 938823598 /nfs/dbraw/zinc/82/35/98/938823598.db2.gz KWFGKCQFQVNOOD-UHFFFAOYSA-N -1 1 354.431 3.577 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)ccc1C#N ZINC000235741205 938993494 /nfs/dbraw/zinc/99/34/94/938993494.db2.gz MTSFRFLHIRDGFD-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1F ZINC000427251793 945229507 /nfs/dbraw/zinc/22/95/07/945229507.db2.gz UJBXOJCHGWBLAX-UHFFFAOYSA-N -1 1 358.316 3.603 20 30 FHEDMM N#Cc1ccc(C(=O)NCCc2nc(C3CCCCC3)cs2)cc1[O-] ZINC000188384715 939225160 /nfs/dbraw/zinc/22/51/60/939225160.db2.gz ZXRAFEJTKIJFBS-UHFFFAOYSA-N -1 1 355.463 3.741 20 30 FHEDMM Cc1nn(C)c(C)c1C(=NN=c1[n-]c(C(F)(F)F)cs1)C(F)(F)F ZINC000755905072 940507016 /nfs/dbraw/zinc/50/70/16/940507016.db2.gz RUTMZJPXHRGTBG-UHFFFAOYSA-N -1 1 371.310 3.891 20 30 FHEDMM Cc1cc(C)c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)o1 ZINC000175089489 940810129 /nfs/dbraw/zinc/81/01/29/940810129.db2.gz QFWWKGPHEPPKBV-LBPRGKRZSA-N -1 1 367.430 3.563 20 30 FHEDMM Cn1ccc(Nc2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)n1 ZINC000659116451 941087036 /nfs/dbraw/zinc/08/70/36/941087036.db2.gz WBQFGVSYIZEJSJ-HNNXBMFYSA-N -1 1 363.446 3.988 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc1[O-] ZINC000189202154 941154042 /nfs/dbraw/zinc/15/40/42/941154042.db2.gz WOKYEGKMZZGDQV-CQSZACIVSA-N -1 1 356.250 3.575 20 30 FHEDMM Cc1nc(-c2ccc(CCNC(=O)c3ccc(C#N)c([O-])c3)s2)cs1 ZINC000189962534 941313702 /nfs/dbraw/zinc/31/37/02/941313702.db2.gz MIWGIGVMAXDFDG-UHFFFAOYSA-N -1 1 369.471 3.730 20 30 FHEDMM Cc1ccc2c(c1C)NC(=O)C2=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000024035144 941716999 /nfs/dbraw/zinc/71/69/99/941716999.db2.gz JKTPXPLBGRQMOU-UHFFFAOYSA-N -1 1 355.310 3.538 20 30 FHEDMM N#C[C@@H](C(=O)C1=CCCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000122850991 942263589 /nfs/dbraw/zinc/26/35/89/942263589.db2.gz GOJSKSOIYSMLLC-AWEZNQCLSA-N -1 1 367.474 3.930 20 30 FHEDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000421153269 942375131 /nfs/dbraw/zinc/37/51/31/942375131.db2.gz LTPCOXRLWHHFBA-CABCVRRESA-N -1 1 370.540 3.741 20 30 FHEDMM CCc1nc(SCc2ccc(C#N)cc2OC(F)F)[n-]c(=O)c1C ZINC000514798671 943299169 /nfs/dbraw/zinc/29/91/69/943299169.db2.gz LJMAPZVWMWNIQI-UHFFFAOYSA-N -1 1 351.378 3.818 20 30 FHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(Cl)c1 ZINC000435497183 943456165 /nfs/dbraw/zinc/45/61/65/943456165.db2.gz WKHUVRQGUGZHCK-UHFFFAOYSA-N -1 1 356.856 3.861 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)C(C)(C)C)cc2)ccc1C#N ZINC000435720098 943578541 /nfs/dbraw/zinc/57/85/41/943578541.db2.gz VDIJLNAIYXDOIC-UHFFFAOYSA-N -1 1 356.447 3.896 20 30 FHEDMM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435901013 943835185 /nfs/dbraw/zinc/83/51/85/943835185.db2.gz FARICIBERKEVOQ-ZDUSSCGKSA-N -1 1 353.246 3.739 20 30 FHEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1C ZINC000162467981 943852796 /nfs/dbraw/zinc/85/27/96/943852796.db2.gz INTNBXCMYZHJQE-LBPRGKRZSA-N -1 1 360.797 3.774 20 30 FHEDMM N#Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cnc1C(F)(F)F ZINC000436522625 944391330 /nfs/dbraw/zinc/39/13/30/944391330.db2.gz VUNKNVJKORQYPG-UHFFFAOYSA-N -1 1 350.231 3.534 20 30 FHEDMM N#C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc(Br)c1 ZINC000436657787 944489590 /nfs/dbraw/zinc/48/95/90/944489590.db2.gz WVFAMAUIQJELOA-ZDUSSCGKSA-N -1 1 365.614 3.803 20 30 FHEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000436785130 944629223 /nfs/dbraw/zinc/62/92/23/944629223.db2.gz CKKIGBAIMFHTGT-LBPRGKRZSA-N -1 1 369.446 3.997 20 30 FHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000500366578 944652549 /nfs/dbraw/zinc/65/25/49/944652549.db2.gz QEJDMACZJHVDMH-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000436875584 944744449 /nfs/dbraw/zinc/74/44/49/944744449.db2.gz YLOQXVLRAFNUSD-CYBMUJFWSA-N -1 1 350.765 3.817 20 30 FHEDMM N#C[C@@]1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CCc2ccccc2C1 ZINC000436912920 944782300 /nfs/dbraw/zinc/78/23/00/944782300.db2.gz FBFSLBFRMNKBFW-GOSISDBHSA-N -1 1 360.335 3.592 20 30 FHEDMM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000426781927 944798915 /nfs/dbraw/zinc/79/89/15/944798915.db2.gz DXKYUBHUNDTMLK-LJQANCHMSA-N -1 1 359.397 3.705 20 30 FHEDMM N#CCCCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000426810819 944831955 /nfs/dbraw/zinc/83/19/55/944831955.db2.gz QHKKSZXQPGINPG-IBGZPJMESA-N -1 1 374.387 3.953 20 30 FHEDMM C=CCN(CCc1ccco1)C(=O)c1cc(Br)ccc1[O-] ZINC000436982597 944875297 /nfs/dbraw/zinc/87/52/97/944875297.db2.gz VIOMMFRYIUDFKD-UHFFFAOYSA-N -1 1 350.212 3.619 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000438752922 945003784 /nfs/dbraw/zinc/00/37/84/945003784.db2.gz HFYHQQSCYFBFSN-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)c3ccco3)c2)n1 ZINC000048789519 945799492 /nfs/dbraw/zinc/79/94/92/945799492.db2.gz OPXKVTGUMCCQTF-CQSZACIVSA-N -1 1 351.387 3.787 20 30 FHEDMM O=C1c2cccc(Cl)c2OCCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504087 946440258 /nfs/dbraw/zinc/44/02/58/946440258.db2.gz LVCQHLKSWGJRHJ-HJWRWDBZSA-N -1 1 358.810 3.630 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(CC2CCC2)c2ccccc2)o1 ZINC000824352432 946664959 /nfs/dbraw/zinc/66/49/59/946664959.db2.gz DAVWDUKKZJFCKS-UHFFFAOYSA-N -1 1 365.441 3.985 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccs3)cc2F)c(=O)o1 ZINC000125784608 947802019 /nfs/dbraw/zinc/80/20/19/947802019.db2.gz JEJRSTHZLYHIAV-IPLHWJFFSA-N -1 1 356.374 3.782 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC000467426724 948564923 /nfs/dbraw/zinc/56/49/23/948564923.db2.gz HEKMZNGVRIFQCR-UHFFFAOYSA-N -1 1 366.446 3.811 20 30 FHEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000066814234 568071006 /nfs/dbraw/zinc/07/10/06/568071006.db2.gz BEHYTLNUPXBBON-CYBMUJFWSA-N -1 1 374.487 3.817 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccs4)[nH]c3c2)o1 ZINC000569644859 568410387 /nfs/dbraw/zinc/41/03/87/568410387.db2.gz PFEBWARHOHWJLP-UHFFFAOYSA-N -1 1 370.415 3.557 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000735939249 599032412 /nfs/dbraw/zinc/03/24/12/599032412.db2.gz MDOCAHULQHLJNA-ZDUSSCGKSA-N -1 1 369.404 3.853 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC(CC2CC2)c2ccccc2)o1 ZINC000735655500 599367586 /nfs/dbraw/zinc/36/75/86/599367586.db2.gz ATGSPXCKMJHKJB-UHFFFAOYSA-N -1 1 365.441 3.769 20 30 FHEDMM CC(C)CCOc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826860902 601304122 /nfs/dbraw/zinc/30/41/22/601304122.db2.gz IVZOXLSTYZCARO-FQEVSTJZSA-N -1 1 352.434 3.899 20 30 FHEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC(C)(C)C)c1 ZINC000832933410 601560744 /nfs/dbraw/zinc/56/07/44/601560744.db2.gz ARRRSUNEHJXSDP-IBGZPJMESA-N -1 1 352.434 3.960 20 30 FHEDMM N#CC(C(=O)c1cccc(NC(=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000739074927 603169694 /nfs/dbraw/zinc/16/96/94/603169694.db2.gz NMXHTPIJXVUXNF-AWEZNQCLSA-N -1 1 364.386 3.785 20 30 FHEDMM C=CCN(Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000833374170 604607708 /nfs/dbraw/zinc/60/77/08/604607708.db2.gz BNSPTFJQJARGCF-INIZCTEOSA-N -1 1 350.418 3.598 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@H](C)c2ccccc2)o1 ZINC000819783567 606034319 /nfs/dbraw/zinc/03/43/19/606034319.db2.gz ZMPSUXJMIGPWBX-LBPRGKRZSA-N -1 1 353.430 3.645 20 30 FHEDMM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825738 606387576 /nfs/dbraw/zinc/38/75/76/606387576.db2.gz NOKBLSCIKLYRHX-DEFDFUCDSA-N -1 1 365.443 3.691 20 30 FHEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820220883 606555942 /nfs/dbraw/zinc/55/59/42/606555942.db2.gz YSCPSPYIRPPRJI-SNVBAGLBSA-N -1 1 370.463 3.575 20 30 FHEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820220883 606555944 /nfs/dbraw/zinc/55/59/44/606555944.db2.gz YSCPSPYIRPPRJI-SNVBAGLBSA-N -1 1 370.463 3.575 20 30 FHEDMM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822259431 606820994 /nfs/dbraw/zinc/82/09/94/606820994.db2.gz WWDMXPSKDDUOGR-HYXAFXHYSA-N -1 1 362.361 3.734 20 30 FHEDMM CC(C)(C)c1cc(NC(=O)c2cccc(CC#N)c2)c(-c2nnn[n-]2)s1 ZINC000824130561 607929915 /nfs/dbraw/zinc/92/99/15/607929915.db2.gz MNJLLQHMMVDFDO-UHFFFAOYSA-N -1 1 366.450 3.544 20 30 FHEDMM CC(C)(C)c1cc(NC(=O)c2cccc(CC#N)c2)c(-c2nn[n-]n2)s1 ZINC000824130561 607929916 /nfs/dbraw/zinc/92/99/16/607929916.db2.gz MNJLLQHMMVDFDO-UHFFFAOYSA-N -1 1 366.450 3.544 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3ccc(Cl)cc32)o1 ZINC000824141105 608094647 /nfs/dbraw/zinc/09/46/47/608094647.db2.gz CTLSEJAPGPOXKS-UHFFFAOYSA-N -1 1 371.832 3.568 20 30 FHEDMM CC(=NNc1ccccc1Br)c1ccc(-c2nn[n-]n2)s1 ZINC000823962428 608094854 /nfs/dbraw/zinc/09/48/54/608094854.db2.gz KJXUEGMKDOQBAI-UHFFFAOYSA-N -1 1 363.244 3.527 20 30 FHEDMM Cc1cccc2c1[C@H](C)CC2N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826304869 608318451 /nfs/dbraw/zinc/31/84/51/608318451.db2.gz BKATUTWHUXBOSP-LLVKDONJSA-N -1 1 351.414 3.610 20 30 FHEDMM Cc1cc(C#N)ccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000826257050 608350304 /nfs/dbraw/zinc/35/03/04/608350304.db2.gz LOLUWDLAYUNLOX-UHFFFAOYSA-N -1 1 366.450 3.658 20 30 FHEDMM Cc1cc(C#N)ccc1C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000826257050 608350306 /nfs/dbraw/zinc/35/03/06/608350306.db2.gz LOLUWDLAYUNLOX-UHFFFAOYSA-N -1 1 366.450 3.658 20 30 FHEDMM O=C(C=Cc1ncc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826402737 608884665 /nfs/dbraw/zinc/88/46/65/608884665.db2.gz ARHNTTKQUMKJAI-TWGQIWQCSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1ncc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826402737 608884670 /nfs/dbraw/zinc/88/46/70/608884670.db2.gz ARHNTTKQUMKJAI-TWGQIWQCSA-N -1 1 365.443 3.948 20 30 FHEDMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000509552204 945066219 /nfs/dbraw/zinc/06/62/19/945066219.db2.gz BGQMVXGHCYJMBE-UHFFFAOYSA-N -1 1 357.218 3.674 20 30 FHEDMM COc1cc(-c2ccccc2)ccc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000588417909 932321447 /nfs/dbraw/zinc/32/14/47/932321447.db2.gz FZNNRLJZFSZZEI-XPTLAUCJSA-N -1 1 362.381 3.590 20 30 FHEDMM C=CCC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCOCC1 ZINC000657129697 934118236 /nfs/dbraw/zinc/11/82/36/934118236.db2.gz ZGOHCZOAUCTBAH-UHFFFAOYSA-N -1 1 368.257 3.536 20 30 FHEDMM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176695733 935868083 /nfs/dbraw/zinc/86/80/83/935868083.db2.gz CEJDGAOEZMKGRL-MDZDMXLPSA-N -1 1 360.410 3.897 20 30 FHEDMM O=C(c1ccc([O-])cc1)C1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000135170792 935905311 /nfs/dbraw/zinc/90/53/11/935905311.db2.gz OZSAQQGCQMJGNT-UHFFFAOYSA-N -1 1 353.849 3.992 20 30 FHEDMM CSc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccc1NC(C)=O ZINC000048813731 936093503 /nfs/dbraw/zinc/09/35/03/936093503.db2.gz FDNRAKMGJGILBO-CYBMUJFWSA-N -1 1 364.430 3.733 20 30 FHEDMM CCCN(CCC)c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000255764592 939175183 /nfs/dbraw/zinc/17/51/83/939175183.db2.gz AHHNGCYWPVBEJP-WUQYLLKWSA-N -1 1 355.434 3.541 20 30 FHEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193357755 939225695 /nfs/dbraw/zinc/22/56/95/939225695.db2.gz MUZYKDBLMXQIGP-UHFFFAOYSA-N -1 1 365.252 3.624 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1F ZINC000427323157 945284481 /nfs/dbraw/zinc/28/44/81/945284481.db2.gz IBCFVMPTJCWJCU-UHFFFAOYSA-N -1 1 369.377 3.685 20 30 FHEDMM N#Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C(F)(F)F ZINC000179766373 939932621 /nfs/dbraw/zinc/93/26/21/939932621.db2.gz NEJVHNGCGOWVEN-UHFFFAOYSA-N -1 1 362.233 3.704 20 30 FHEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000172066129 940092483 /nfs/dbraw/zinc/09/24/83/940092483.db2.gz HYCBPKWFFOHUBW-NRFANRHFSA-N -1 1 371.440 3.568 20 30 FHEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nccnc2SC)cc1 ZINC000892501880 940116780 /nfs/dbraw/zinc/11/67/80/940116780.db2.gz RVOOUFXDZVPVDE-DOMZBBRYSA-N -1 1 368.462 3.673 20 30 FHEDMM O=C(CCc1ccc(OC(F)(F)F)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000066629123 940750038 /nfs/dbraw/zinc/75/00/38/940750038.db2.gz KCHNNWNGHIXRIE-UHFFFAOYSA-N -1 1 368.237 3.943 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)C2CCC2)cc1 ZINC000582641438 940771513 /nfs/dbraw/zinc/77/15/13/940771513.db2.gz CGBDJKAKWYQHGL-UHFFFAOYSA-N -1 1 354.431 3.650 20 30 FHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc([C@@H]3CCC(=O)N3)cc2)n1 ZINC000892802434 941569981 /nfs/dbraw/zinc/56/99/81/941569981.db2.gz MLZHDLUBDJMMGI-GJZGRUSLSA-N -1 1 353.447 3.708 20 30 FHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000469096125 941852403 /nfs/dbraw/zinc/85/24/03/941852403.db2.gz YPLHNLBZEBNDSN-UHFFFAOYSA-N -1 1 373.478 3.887 20 30 FHEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]n1 ZINC000434963736 943066083 /nfs/dbraw/zinc/06/60/83/943066083.db2.gz SENSXMHTBKJYSF-UHFFFAOYSA-N -1 1 372.837 3.711 20 30 FHEDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435476759 943447598 /nfs/dbraw/zinc/44/75/98/943447598.db2.gz JAYBQJDVQSPGFA-UHFFFAOYSA-N -1 1 354.840 3.667 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1C(F)(F)F ZINC000515183801 943555842 /nfs/dbraw/zinc/55/58/42/943555842.db2.gz NPMFWFLRZDDLAN-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1C#N ZINC000435731056 943572874 /nfs/dbraw/zinc/57/28/74/943572874.db2.gz JMSSFXXFBPOKAB-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1C#N ZINC000435749249 943584046 /nfs/dbraw/zinc/58/40/46/943584046.db2.gz RXTDRBDLTCANOV-UHFFFAOYSA-N -1 1 370.352 3.609 20 30 FHEDMM N#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C1CCCCC1 ZINC000435905702 943838866 /nfs/dbraw/zinc/83/88/66/943838866.db2.gz BXUZXRDVYQHORW-ZDUSSCGKSA-N -1 1 365.257 3.883 20 30 FHEDMM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cncc([O-])c1 ZINC000111591517 944334693 /nfs/dbraw/zinc/33/46/93/944334693.db2.gz YPLFONLLVDAOJB-UHFFFAOYSA-N -1 1 365.202 3.517 20 30 FHEDMM C=C1CCN(C(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])CC1 ZINC000436569726 944433774 /nfs/dbraw/zinc/43/37/74/944433774.db2.gz HZQITJHMDGISDG-UHFFFAOYSA-N -1 1 372.371 3.715 20 30 FHEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc4ccccc4c3[O-])n2)c1 ZINC000436881834 944755458 /nfs/dbraw/zinc/75/54/58/944755458.db2.gz PJIAIMURTGMFDY-UHFFFAOYSA-N -1 1 368.396 3.737 20 30 FHEDMM C=CCOc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000436913319 944781735 /nfs/dbraw/zinc/78/17/35/944781735.db2.gz JAFKDSUPIJOGMY-UHFFFAOYSA-N -1 1 370.796 3.648 20 30 FHEDMM C=CCOc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1 ZINC000436913319 944781737 /nfs/dbraw/zinc/78/17/37/944781737.db2.gz JAFKDSUPIJOGMY-UHFFFAOYSA-N -1 1 370.796 3.648 20 30 FHEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000507001935 944826766 /nfs/dbraw/zinc/82/67/66/944826766.db2.gz MTPSYQXPQCKQJP-UHFFFAOYSA-N -1 1 350.827 3.801 20 30 FHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc4c3CC[C@H](C)C4)nc1-2 ZINC000330252217 945426539 /nfs/dbraw/zinc/42/65/39/945426539.db2.gz OFBZBNFTYIKJMF-GXFFZTMASA-N -1 1 350.447 3.943 20 30 FHEDMM C[C@H]1C(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C[C@H]1c1ccccc1 ZINC000820643011 945507192 /nfs/dbraw/zinc/50/71/92/945507192.db2.gz OPRPAFBBTZBOKL-DGCLKSJQSA-N -1 1 365.441 3.744 20 30 FHEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ncoc1-c1ccon1 ZINC001126045227 945836416 /nfs/dbraw/zinc/83/64/16/945836416.db2.gz NNLHZLSKCMLCKM-NSHDSACASA-N -1 1 354.391 3.976 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1Br ZINC000473127571 946374246 /nfs/dbraw/zinc/37/42/46/946374246.db2.gz KARZKFZMMKCRPT-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM N#Cc1ccccc1COc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000108953226 946611804 /nfs/dbraw/zinc/61/18/04/946611804.db2.gz FHYYLJJWCSQEJE-SXGWCWSVSA-N -1 1 352.440 3.626 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000005769905 947463758 /nfs/dbraw/zinc/46/37/58/947463758.db2.gz XMMBFLOQGPTCFZ-UHFFFAOYSA-N -1 1 371.643 3.775 20 30 FHEDMM CCOc1cc(-c2noc(Cc3ccc(C#N)cc3)n2)cc(Cl)c1[O-] ZINC000445429596 948791040 /nfs/dbraw/zinc/79/10/40/948791040.db2.gz FEOWWMBGEYOCAO-UHFFFAOYSA-N -1 1 355.781 3.957 20 30 FHEDMM Cc1cc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc(C)c1F ZINC000735450713 599067077 /nfs/dbraw/zinc/06/70/77/599067077.db2.gz CLRZYFMOVMRSNF-UHFFFAOYSA-N -1 1 371.420 3.645 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(-c3ccccc3C)c2)o1 ZINC000737466911 598277123 /nfs/dbraw/zinc/27/71/23/598277123.db2.gz HACSFRPCDSTYAD-UHFFFAOYSA-N -1 1 359.393 3.585 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2c2ccccc2)o1 ZINC000735938560 598741049 /nfs/dbraw/zinc/74/10/49/598741049.db2.gz APONVRPXYSXQCW-ZDUSSCGKSA-N -1 1 351.414 3.714 20 30 FHEDMM N#Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000739119173 599792065 /nfs/dbraw/zinc/79/20/65/599792065.db2.gz ZCAKEAKZGLZZSN-HNNXBMFYSA-N -1 1 352.287 3.632 20 30 FHEDMM N#Cc1ccc([C@@H](NCc2ccc(Oc3ccccc3)nc2)C(=O)[O-])cc1 ZINC000739108612 600596990 /nfs/dbraw/zinc/59/69/90/600596990.db2.gz VRGOMXYYSUIFEY-HXUWFJFHSA-N -1 1 359.385 3.661 20 30 FHEDMM N#CCC[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000826381496 607679039 /nfs/dbraw/zinc/67/90/39/607679039.db2.gz NYDLMGMZJKXRQO-MRXNPFEDSA-N -1 1 355.405 3.872 20 30 FHEDMM N#CCC[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000826381496 607679041 /nfs/dbraw/zinc/67/90/41/607679041.db2.gz NYDLMGMZJKXRQO-MRXNPFEDSA-N -1 1 355.405 3.872 20 30 FHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)CCC(=O)N2C ZINC000833386705 605156149 /nfs/dbraw/zinc/15/61/49/605156149.db2.gz UAVVSRJFSXEOHT-UHFFFAOYSA-N -1 1 371.824 3.783 20 30 FHEDMM C#CCOc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833367325 605259573 /nfs/dbraw/zinc/25/95/73/605259573.db2.gz URTOCIAHKXKEHK-KRWDZBQOSA-N -1 1 363.335 3.633 20 30 FHEDMM C=CCCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819734172 606278311 /nfs/dbraw/zinc/27/83/11/606278311.db2.gz JLAODHGBQJSBJQ-UHFFFAOYSA-N -1 1 353.451 3.568 20 30 FHEDMM Clc1ccc2c(c1)nccc2NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822581113 606368194 /nfs/dbraw/zinc/36/81/94/606368194.db2.gz BEWSBIDEMZIPFS-UHFFFAOYSA-N -1 1 355.814 3.576 20 30 FHEDMM COc1ccc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)ccc2c1 ZINC000821854524 606386663 /nfs/dbraw/zinc/38/66/63/606386663.db2.gz LRNJWUCPXLVVIK-SOFGYWHQSA-N -1 1 362.414 3.986 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1C(F)(F)F ZINC000822929099 606387832 /nfs/dbraw/zinc/38/78/32/606387832.db2.gz POMBTHRNQMVUKT-FNORWQNLSA-N -1 1 350.325 3.843 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCCCC2)cc1 ZINC000822923009 606389707 /nfs/dbraw/zinc/38/97/07/606389707.db2.gz MMPRTIMTGDSCTH-CSKARUKUSA-N -1 1 365.462 3.815 20 30 FHEDMM CSc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000821983300 606390487 /nfs/dbraw/zinc/39/04/87/606390487.db2.gz FXUPJARNYSYALL-PKNBQFBNSA-N -1 1 354.460 3.863 20 30 FHEDMM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822423835 606390817 /nfs/dbraw/zinc/39/08/17/606390817.db2.gz POLZUVGMBMMNDY-FNORWQNLSA-N -1 1 359.480 3.887 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[C@@H](C)c3ccccc32)o1 ZINC000824352571 607782920 /nfs/dbraw/zinc/78/29/20/607782920.db2.gz JCADAFRNVTUIEQ-LLVKDONJSA-N -1 1 351.414 3.692 20 30 FHEDMM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000825338946 608093431 /nfs/dbraw/zinc/09/34/31/608093431.db2.gz LBYWMRPBBPXJME-XQRVVYSFSA-N -1 1 370.434 3.622 20 30 FHEDMM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000825338946 608093432 /nfs/dbraw/zinc/09/34/32/608093432.db2.gz LBYWMRPBBPXJME-XQRVVYSFSA-N -1 1 370.434 3.622 20 30 FHEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n(Cc3ccccn3)c2C)n1 ZINC000047358630 929046671 /nfs/dbraw/zinc/04/66/71/929046671.db2.gz CKRBXYSEVVBXGO-KRWDZBQOSA-N -1 1 350.447 3.803 20 30 FHEDMM CCOc1cncc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1 ZINC001210662679 930160761 /nfs/dbraw/zinc/16/07/61/930160761.db2.gz JOQVYTMBGBTQNK-AWQFTUOYSA-N -1 1 367.434 3.759 20 30 FHEDMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083536758 930612339 /nfs/dbraw/zinc/61/23/39/930612339.db2.gz XFNUFNQNQFISIV-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1Br ZINC000432760579 930823418 /nfs/dbraw/zinc/82/34/18/930823418.db2.gz VJDZYWSOFGKZHG-UHFFFAOYSA-N -1 1 371.643 3.775 20 30 FHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-c3ncon3)cc2)s1 ZINC000430625181 932384202 /nfs/dbraw/zinc/38/42/02/932384202.db2.gz PVLHMEVKVFOVBK-ZDUSSCGKSA-N -1 1 352.419 3.981 20 30 FHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2CN2CCOCC2)n1 ZINC000430672296 932854837 /nfs/dbraw/zinc/85/48/37/932854837.db2.gz SPPXTTSGXVFKOC-KRWDZBQOSA-N -1 1 369.490 3.589 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(F)c1 ZINC000135373013 933179410 /nfs/dbraw/zinc/17/94/10/933179410.db2.gz MBAVKNVUUMYGGW-UHFFFAOYSA-N -1 1 351.211 3.866 20 30 FHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1 ZINC000091053016 934057409 /nfs/dbraw/zinc/05/74/09/934057409.db2.gz SWGIDLMAUJHQKG-UHFFFAOYSA-N -1 1 372.490 3.835 20 30 FHEDMM CC(=Cc1c(Cl)cccc1Cl)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000588473254 934496178 /nfs/dbraw/zinc/49/61/78/934496178.db2.gz TXAIWYSDPFTINV-VPUINMBXSA-N -1 1 362.216 3.722 20 30 FHEDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000471989873 934704845 /nfs/dbraw/zinc/70/48/45/934704845.db2.gz VJMHDOBVDMAGHP-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM CCS(=O)(=O)c1c(Cl)cccc1/C=C\C(=O)c1ccc([O-])cc1 ZINC000588508596 935431066 /nfs/dbraw/zinc/43/10/66/935431066.db2.gz CWZBGIISUQNPDA-FLIBITNWSA-N -1 1 350.823 3.735 20 30 FHEDMM N#Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1Cl ZINC000133125025 935885499 /nfs/dbraw/zinc/88/54/99/935885499.db2.gz HUOQKXMEPPUCME-UHFFFAOYSA-N -1 1 351.587 3.932 20 30 FHEDMM Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2)cs1 ZINC000427140500 945132356 /nfs/dbraw/zinc/13/23/56/945132356.db2.gz RSTCVJZETMIOIR-UHFFFAOYSA-N -1 1 373.434 3.930 20 30 FHEDMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3C)cc2)co1 ZINC000179027924 938549475 /nfs/dbraw/zinc/54/94/75/938549475.db2.gz RIZOQXVDBWPLQI-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc21 ZINC000427242444 945217417 /nfs/dbraw/zinc/21/74/17/945217417.db2.gz JOBCJLDLCPBQEK-UHFFFAOYSA-N -1 1 357.410 3.863 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000070430521 938951130 /nfs/dbraw/zinc/95/11/30/938951130.db2.gz XTPQFSVURBNIAV-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000179729334 939004936 /nfs/dbraw/zinc/00/49/36/939004936.db2.gz FLXIJYAMOYAHSS-UHFFFAOYSA-N -1 1 374.462 3.957 20 30 FHEDMM COc1ccccc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188346032 939206668 /nfs/dbraw/zinc/20/66/68/939206668.db2.gz ONBUSLJCBKBQSR-OAQYLSRUSA-N -1 1 358.397 3.792 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)cc1 ZINC000236057045 939911654 /nfs/dbraw/zinc/91/16/54/939911654.db2.gz JXCJAAQJCRSFRR-UHFFFAOYSA-N -1 1 371.643 3.775 20 30 FHEDMM Cc1cc(C(C#N)=C([O-])C2=Cc3ccccc3O[C@@H]2C(F)(F)F)nc(C)n1 ZINC000892475854 939916137 /nfs/dbraw/zinc/91/61/37/939916137.db2.gz OFMGYOSBRQUYSS-KSSFIOAISA-N -1 1 373.334 3.677 20 30 FHEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000172066124 940092503 /nfs/dbraw/zinc/09/25/03/940092503.db2.gz HYCBPKWFFOHUBW-OAQYLSRUSA-N -1 1 371.440 3.568 20 30 FHEDMM N#CC(=C([O-])c1ccc2c(c1)SCC(=O)N2)c1nc2ccccc2s1 ZINC000685782634 940130078 /nfs/dbraw/zinc/13/00/78/940130078.db2.gz ZULMDWLMICPXID-LLVKDONJSA-N -1 1 365.439 3.831 20 30 FHEDMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427345660 945301873 /nfs/dbraw/zinc/30/18/73/945301873.db2.gz PMCLDRJCGDUCLP-UHFFFAOYSA-N -1 1 367.405 3.869 20 30 FHEDMM C=CCOc1ccc(Br)cc1[N-]S(=O)(=O)CCCCF ZINC000414385152 941078066 /nfs/dbraw/zinc/07/80/66/941078066.db2.gz DVDGBUMTSOVZSZ-UHFFFAOYSA-N -1 1 366.252 3.505 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)cc1[O-] ZINC000189011537 941141279 /nfs/dbraw/zinc/14/12/79/941141279.db2.gz LKYRSLTVBSPORA-CQSZACIVSA-N -1 1 370.836 3.848 20 30 FHEDMM N#CCCCOc1cccnc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182029392 941405244 /nfs/dbraw/zinc/40/52/44/941405244.db2.gz HYGVZXOUVDQLDP-UHFFFAOYSA-N -1 1 365.311 3.741 20 30 FHEDMM C=CCOc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1OC ZINC000613667583 941660310 /nfs/dbraw/zinc/66/03/10/941660310.db2.gz ZQBFDNUQAMFQRN-UHFFFAOYSA-N -1 1 365.389 3.608 20 30 FHEDMM N#CC(=C([O-])c1ccnn1CC(F)F)c1nc2cc(Cl)ccc2s1 ZINC000434620838 942792386 /nfs/dbraw/zinc/79/23/86/942792386.db2.gz MEFNPDIEAGEQFH-VIFPVBQESA-N -1 1 366.780 3.901 20 30 FHEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3ccc4ccccc4c3[O-])CCO2)c1 ZINC000367111330 942860687 /nfs/dbraw/zinc/86/06/87/942860687.db2.gz WHASPNFAYFOZRY-FQEVSTJZSA-N -1 1 358.397 3.631 20 30 FHEDMM COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1Cl ZINC000435733078 943578549 /nfs/dbraw/zinc/57/85/49/943578549.db2.gz AEMVAULUQLZKSI-UHFFFAOYSA-N -1 1 371.245 3.983 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)ccc1C#N ZINC000435720019 943579314 /nfs/dbraw/zinc/57/93/14/943579314.db2.gz TYHOWMAIGKGEMS-UHFFFAOYSA-N -1 1 356.447 3.594 20 30 FHEDMM C=CCSc1ccccc1NC(=O)CN1CCCC[C@H]1CCC(=O)[O-] ZINC000424264639 943812974 /nfs/dbraw/zinc/81/29/74/943812974.db2.gz UIELTJDDGDYQPT-HNNXBMFYSA-N -1 1 362.495 3.623 20 30 FHEDMM N#Cc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c(Cl)c1 ZINC000436190320 944083502 /nfs/dbraw/zinc/08/35/02/944083502.db2.gz UAMSIZYKTALRKZ-UHFFFAOYSA-N -1 1 361.854 3.881 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CC#N)ccc1C(F)(F)F ZINC000518452024 944389560 /nfs/dbraw/zinc/38/95/60/944389560.db2.gz ZGJFOUMEAMKSPC-UHFFFAOYSA-N -1 1 354.353 3.881 20 30 FHEDMM C=CCC(F)(F)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000436522822 944390967 /nfs/dbraw/zinc/39/09/67/944390967.db2.gz XFPVYVRYDFKGII-UHFFFAOYSA-N -1 1 361.142 3.881 20 30 FHEDMM N#CCC[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000436607627 944457419 /nfs/dbraw/zinc/45/74/19/944457419.db2.gz OTLLDBPYLKMXBX-OAHLLOKOSA-N -1 1 359.223 3.930 20 30 FHEDMM N#CCC[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000436607626 944457692 /nfs/dbraw/zinc/45/76/92/944457692.db2.gz OTLLDBPYLKMXBX-HNNXBMFYSA-N -1 1 359.223 3.930 20 30 FHEDMM N#C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1cccc(Br)c1 ZINC000436657785 944489273 /nfs/dbraw/zinc/48/92/73/944489273.db2.gz WVFAMAUIQJELOA-CYBMUJFWSA-N -1 1 365.614 3.803 20 30 FHEDMM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2OC)cc1Cl ZINC000426795634 944818672 /nfs/dbraw/zinc/81/86/72/944818672.db2.gz YFRIBUWBBKHIAW-SFHVURJKSA-N -1 1 361.825 3.829 20 30 FHEDMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000436999560 944917630 /nfs/dbraw/zinc/91/76/30/944917630.db2.gz JSOIBVRRGFVOTL-HNNXBMFYSA-N -1 1 370.408 3.991 20 30 FHEDMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000438720160 944966251 /nfs/dbraw/zinc/96/62/51/944966251.db2.gz FXDMXDXLMQEWHN-UHFFFAOYSA-N -1 1 350.827 3.549 20 30 FHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1C(F)(F)F ZINC000438753604 944990468 /nfs/dbraw/zinc/99/04/68/944990468.db2.gz NVSUSFYEXMKGLT-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(C3CCCC3)s2)o1 ZINC000820202774 945376509 /nfs/dbraw/zinc/37/65/09/945376509.db2.gz LDOKMLNMMHUTCH-UHFFFAOYSA-N -1 1 372.458 3.538 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c1 ZINC000507639540 945385633 /nfs/dbraw/zinc/38/56/33/945385633.db2.gz XFHFPSDRDFGKKE-UHFFFAOYSA-N -1 1 365.386 3.906 20 30 FHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)c3ccco3)c2)n1 ZINC000048789517 945799364 /nfs/dbraw/zinc/79/93/64/945799364.db2.gz OPXKVTGUMCCQTF-AWEZNQCLSA-N -1 1 351.387 3.787 20 30 FHEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000029967211 946154460 /nfs/dbraw/zinc/15/44/60/946154460.db2.gz MLCCOSZTZNIGCR-UHFFFAOYSA-N -1 1 365.252 3.624 20 30 FHEDMM COCCOc1ccc(C#N)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000184460761 946771007 /nfs/dbraw/zinc/77/10/07/946771007.db2.gz KSEAOJAHPCEYDI-UHFFFAOYSA-N -1 1 362.385 3.695 20 30 FHEDMM COC(=O)COc1c(C)cc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1C ZINC000209628407 947183639 /nfs/dbraw/zinc/18/36/39/947183639.db2.gz CDRXGDUETYJVAG-YVLHZVERSA-N -1 1 366.413 3.773 20 30 FHEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(C2CCCCC2)n1 ZINC000826359376 948115561 /nfs/dbraw/zinc/11/55/61/948115561.db2.gz FFOUEEDURSXJQG-BQYQJAHWSA-N -1 1 368.466 3.606 20 30 FHEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(C2CCCCC2)n1 ZINC000826359376 948115568 /nfs/dbraw/zinc/11/55/68/948115568.db2.gz FFOUEEDURSXJQG-BQYQJAHWSA-N -1 1 368.466 3.606 20 30 FHEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000544709840 948710461 /nfs/dbraw/zinc/71/04/61/948710461.db2.gz KEUBRWVIMLYVAZ-ZETCQYMHSA-N -1 1 358.710 3.797 20 30 FHEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)CCOCC1CCC1 ZINC000601975786 567893916 /nfs/dbraw/zinc/89/39/16/567893916.db2.gz KCAIBFJOGIQOAO-AWEZNQCLSA-N -1 1 368.524 3.639 20 30 FHEDMM N#CCc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000051656448 568139935 /nfs/dbraw/zinc/13/99/35/568139935.db2.gz NOKOVNUBBGHUAT-AWEZNQCLSA-N -1 1 350.328 3.988 20 30 FHEDMM Cc1ccc(C2CC(N=Nc3oc(C(C)C)nc3-c3nn[n-]n3)C2)cc1 ZINC000737331650 598295903 /nfs/dbraw/zinc/29/59/03/598295903.db2.gz QLWVBBFQUSVNAO-UHFFFAOYSA-N -1 1 351.414 3.632 20 30 FHEDMM Cc1ccccc1C(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)C1CC1 ZINC000737414923 598639696 /nfs/dbraw/zinc/63/96/96/598639696.db2.gz HEKVGZXKOTUVBU-UHFFFAOYSA-N -1 1 351.414 3.513 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2c2ccccc2)o1 ZINC000735657076 598741148 /nfs/dbraw/zinc/74/11/48/598741148.db2.gz OIDGIOUWXORUDS-ZDUSSCGKSA-N -1 1 365.441 3.888 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(Cc2ccc(F)cc2)C(C)C)o1 ZINC000820020424 599336341 /nfs/dbraw/zinc/33/63/41/599336341.db2.gz GEFZVLCKERQVNU-UHFFFAOYSA-N -1 1 371.420 3.784 20 30 FHEDMM O=C([O-])c1ccc(COc2ccccc2C=NNc2ccc(F)cn2)cc1 ZINC000740134846 599970016 /nfs/dbraw/zinc/97/00/16/599970016.db2.gz HFBCQBHSOHOWNG-UHFFFAOYSA-N -1 1 365.364 3.944 20 30 FHEDMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1Br ZINC000827718470 601297641 /nfs/dbraw/zinc/29/76/41/601297641.db2.gz SWSIJFXMARLCKX-BDJLRTHQSA-N -1 1 359.223 3.797 20 30 FHEDMM Fc1ccc(C(F)(F)F)cc1NN=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826373793 607817130 /nfs/dbraw/zinc/81/71/30/607817130.db2.gz ZSGZZDNKBRQTML-UHFFFAOYSA-N -1 1 356.308 3.532 20 30 FHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000833386684 605158753 /nfs/dbraw/zinc/15/87/53/605158753.db2.gz SLPSZQATTRYWNZ-UHFFFAOYSA-N -1 1 357.797 3.759 20 30 FHEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2ccc(Cl)cc21 ZINC000823503921 606389917 /nfs/dbraw/zinc/38/99/17/606389917.db2.gz KQSVTLXWMKCWCK-VMPITWQZSA-N -1 1 360.851 3.954 20 30 FHEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2ccc(Cl)cc21 ZINC000823503923 606389961 /nfs/dbraw/zinc/38/99/61/606389961.db2.gz KQSVTLXWMKCWCK-YVMONPNESA-N -1 1 360.851 3.954 20 30 FHEDMM CC(C)c1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CO2 ZINC000820192306 606390246 /nfs/dbraw/zinc/39/02/46/606390246.db2.gz IVUJXQSGGNUJRG-GHXNOFRVSA-N -1 1 352.419 3.710 20 30 FHEDMM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823503023 606392926 /nfs/dbraw/zinc/39/29/26/606392926.db2.gz AHYDYMXZWSWXRS-CLFYSBASSA-N -1 1 358.810 3.630 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H](c3ccccc3)C2(C)C)o1 ZINC000820198480 607170993 /nfs/dbraw/zinc/17/09/93/607170993.db2.gz XKHCOIAQCFWMNH-CYBMUJFWSA-N -1 1 365.441 3.960 20 30 FHEDMM O=C(C=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000826402848 608092330 /nfs/dbraw/zinc/09/23/30/608092330.db2.gz DJFAWHVANAZKCN-RMKNXTFCSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826402848 608092331 /nfs/dbraw/zinc/09/23/31/608092331.db2.gz DJFAWHVANAZKCN-RMKNXTFCSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826403336 608092345 /nfs/dbraw/zinc/09/23/45/608092345.db2.gz PFXJCAIDYOKKCQ-AATRIKPKSA-N -1 1 366.324 3.723 20 30 FHEDMM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826403336 608092346 /nfs/dbraw/zinc/09/23/46/608092346.db2.gz PFXJCAIDYOKKCQ-AATRIKPKSA-N -1 1 366.324 3.723 20 30 FHEDMM CCC[C@@H](CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccccc1 ZINC000825232767 608750672 /nfs/dbraw/zinc/75/06/72/608750672.db2.gz KHJXLQDSVDSBID-AWEZNQCLSA-N -1 1 353.430 3.960 20 30 FHEDMM Cc1csc(C(C#N)=C([O-])c2cc(C)n(Cc3ccccn3)c2C)n1 ZINC000047358628 929047385 /nfs/dbraw/zinc/04/73/85/929047385.db2.gz CKRBXYSEVVBXGO-QGZVFWFLSA-N -1 1 350.447 3.803 20 30 FHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000471592531 930841569 /nfs/dbraw/zinc/84/15/69/930841569.db2.gz FIRYKJPIYFRAJI-UHFFFAOYSA-N -1 1 351.399 3.590 20 30 FHEDMM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430605851 932110141 /nfs/dbraw/zinc/11/01/41/932110141.db2.gz SRDDXVGUCSXHQO-CQSZACIVSA-N -1 1 355.463 3.632 20 30 FHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000091416355 933471437 /nfs/dbraw/zinc/47/14/37/933471437.db2.gz OQMSUVOMQKUPJV-QMMMGPOBSA-N -1 1 371.178 3.512 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000610647654 933591846 /nfs/dbraw/zinc/59/18/46/933591846.db2.gz YIEXFQKSHOUYNN-UHFFFAOYSA-N -1 1 358.463 3.983 20 30 FHEDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000471910032 933661463 /nfs/dbraw/zinc/66/14/63/933661463.db2.gz JOWVFSVVAUVKQC-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000024043845 934063358 /nfs/dbraw/zinc/06/33/58/934063358.db2.gz WNLOTNLUIQNROI-UHFFFAOYSA-N -1 1 372.490 3.701 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000431187612 934086545 /nfs/dbraw/zinc/08/65/45/934086545.db2.gz QEZLLMSZHUWALL-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000431188663 934109773 /nfs/dbraw/zinc/10/97/73/934109773.db2.gz XJNLXFGNGWKLIN-SNVBAGLBSA-N -1 1 362.838 3.644 20 30 FHEDMM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1C ZINC000277532171 935474678 /nfs/dbraw/zinc/47/46/78/935474678.db2.gz GDRPJSRYFULBOJ-UHFFFAOYSA-N -1 1 371.462 3.715 20 30 FHEDMM CCS(=O)(=O)c1c(Cl)cccc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000588535161 935882350 /nfs/dbraw/zinc/88/23/50/935882350.db2.gz NWLPFLCICPDPOK-JYRVWZFOSA-N -1 1 362.834 3.662 20 30 FHEDMM N#Cc1cc(I)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213386581 938269616 /nfs/dbraw/zinc/26/96/16/938269616.db2.gz KFOJTPPNADZQMQ-UHFFFAOYSA-N -1 1 372.112 3.890 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000179027549 938548857 /nfs/dbraw/zinc/54/88/57/938548857.db2.gz JDYKROORZFKZLQ-UHFFFAOYSA-N -1 1 356.325 3.566 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cc1F ZINC000427213469 945206304 /nfs/dbraw/zinc/20/63/04/945206304.db2.gz RLKZFBRGIZUJAG-UHFFFAOYSA-N -1 1 369.377 3.685 20 30 FHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c2cccnc2c1C ZINC000437331121 945254582 /nfs/dbraw/zinc/25/45/82/945254582.db2.gz VWWDBGBPFCANDG-UHFFFAOYSA-N -1 1 351.431 3.833 20 30 FHEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1O ZINC000612997914 940386440 /nfs/dbraw/zinc/38/64/40/940386440.db2.gz NLMQVNLOHNETCA-UHFFFAOYSA-N -1 1 370.352 3.700 20 30 FHEDMM C=CCCCCCCNC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000376334557 940789303 /nfs/dbraw/zinc/78/93/03/940789303.db2.gz JICGCCIJUZYMTE-UHFFFAOYSA-N -1 1 368.481 3.738 20 30 FHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)ccc1Cl ZINC000175013379 940796826 /nfs/dbraw/zinc/79/68/26/940796826.db2.gz SDJPBNQDOCOROX-UHFFFAOYSA-N -1 1 360.822 3.531 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](c3ccccc3)[C@H]2C)o1 ZINC000820109020 945352397 /nfs/dbraw/zinc/35/23/97/945352397.db2.gz ZOQDPYNGBBOXHR-TZMCWYRMSA-N -1 1 365.441 3.645 20 30 FHEDMM C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000189267632 941154312 /nfs/dbraw/zinc/15/43/12/941154312.db2.gz GEINDXDFFSOVFI-KZULUSFZSA-N -1 1 356.809 3.519 20 30 FHEDMM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000181411779 941154558 /nfs/dbraw/zinc/15/45/58/941154558.db2.gz GIDJXLGWCFNKDI-UHFFFAOYSA-N -1 1 373.294 3.740 20 30 FHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc([C@@H]3CCC(=O)N3)cc2)n1 ZINC000892802433 941570025 /nfs/dbraw/zinc/57/00/25/941570025.db2.gz MLZHDLUBDJMMGI-CABCVRRESA-N -1 1 353.447 3.708 20 30 FHEDMM N#C[C@H](C(=O)C1=CCCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000122850838 942263695 /nfs/dbraw/zinc/26/36/95/942263695.db2.gz GOJSKSOIYSMLLC-CQSZACIVSA-N -1 1 367.474 3.930 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)ccc1C#N ZINC000435747514 943583369 /nfs/dbraw/zinc/58/33/69/943583369.db2.gz IXWLEBWCQVAHBV-UHFFFAOYSA-N -1 1 370.430 3.709 20 30 FHEDMM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435909145 943847230 /nfs/dbraw/zinc/84/72/30/943847230.db2.gz RXYJBDRSUFOTQR-XPTSAGLGSA-N -1 1 365.257 3.883 20 30 FHEDMM N#C[C@@H](C(=O)[C@@H]1CC12CCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000759815435 944372866 /nfs/dbraw/zinc/37/28/66/944372866.db2.gz RLVUDTPMZDRSHK-RYUDHWBXSA-N -1 1 353.447 3.642 20 30 FHEDMM COc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c([O-])c1 ZINC000436520002 944390186 /nfs/dbraw/zinc/39/01/86/944390186.db2.gz BOTYCUFGQCYOSM-UHFFFAOYSA-N -1 1 351.387 3.648 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000425957908 944403958 /nfs/dbraw/zinc/40/39/58/944403958.db2.gz KUWOJFVOJJTBPJ-UHFFFAOYSA-N -1 1 356.447 3.896 20 30 FHEDMM N#Cc1ccccc1N1CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000047138158 944611865 /nfs/dbraw/zinc/61/18/65/944611865.db2.gz NQXPRZUCDNOCII-UHFFFAOYSA-N -1 1 371.440 3.770 20 30 FHEDMM CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436845410 944713641 /nfs/dbraw/zinc/71/36/41/944713641.db2.gz DNOAKAPRMLDUHD-UHFFFAOYSA-N -1 1 360.413 3.706 20 30 FHEDMM C[C@@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1nc(C2CCCCC2)no1 ZINC000330236805 945416938 /nfs/dbraw/zinc/41/69/38/945416938.db2.gz UNCLFIQAVHWOJM-SNVBAGLBSA-N -1 1 361.471 3.636 20 30 FHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)c1 ZINC000432216635 945541700 /nfs/dbraw/zinc/54/17/00/945541700.db2.gz AWJIISKXYPDGFA-UHFFFAOYSA-N -1 1 357.431 3.571 20 30 FHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000473121756 946324904 /nfs/dbraw/zinc/32/49/04/946324904.db2.gz SEPWMHOVUKJDNV-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001211678953 946991927 /nfs/dbraw/zinc/99/19/27/946991927.db2.gz BUZWSXDOCLPPJI-QMMMGPOBSA-N -1 1 370.671 3.875 20 30 FHEDMM COc1cc(C(=O)N[C@]2(CO)C[C@H](C)CC(C)(C)C2)cc(Cl)c1[O-] ZINC000331267846 947374527 /nfs/dbraw/zinc/37/45/27/947374527.db2.gz IXNNONARSHTYJR-ADLMAVQZSA-N -1 1 355.862 3.936 20 30 FHEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(CC)c(CC)o1 ZINC000128744980 948078377 /nfs/dbraw/zinc/07/83/77/948078377.db2.gz OUVLIQLTTQGQRT-AWEZNQCLSA-N -1 1 354.406 3.764 20 30 FHEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)CCOCC1CCC1 ZINC000601975793 567893924 /nfs/dbraw/zinc/89/39/24/567893924.db2.gz KCAIBFJOGIQOAO-CQSZACIVSA-N -1 1 368.524 3.639 20 30 FHEDMM CCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000619461911 568353605 /nfs/dbraw/zinc/35/36/05/568353605.db2.gz CPNWFGJTKHENPZ-UHFFFAOYSA-N -1 1 350.827 3.606 20 30 FHEDMM C=CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000604881466 568383715 /nfs/dbraw/zinc/38/37/15/568383715.db2.gz VNHBZNJNQUQQDL-INIZCTEOSA-N -1 1 372.490 3.799 20 30 FHEDMM N#Cc1cnccc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000570565674 568487628 /nfs/dbraw/zinc/48/76/28/568487628.db2.gz JLVIXSXHPJNYKG-UHFFFAOYSA-N -1 1 351.387 3.546 20 30 FHEDMM Cc1cc(C)cc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1 ZINC000735450838 598417651 /nfs/dbraw/zinc/41/76/51/598417651.db2.gz FQOULNBADRWKJW-UHFFFAOYSA-N -1 1 353.430 3.605 20 30 FHEDMM C=CCOc1ccccc1CNc1cc(-c2nnn[n-]2)nc2ccccc21 ZINC000819759078 599549306 /nfs/dbraw/zinc/54/93/06/599549306.db2.gz NYHNWUJCBIGBIE-UHFFFAOYSA-N -1 1 358.405 3.592 20 30 FHEDMM C=CCOc1ccccc1CNc1cc(-c2nn[n-]n2)nc2ccccc21 ZINC000819759078 599549308 /nfs/dbraw/zinc/54/93/08/599549308.db2.gz NYHNWUJCBIGBIE-UHFFFAOYSA-N -1 1 358.405 3.592 20 30 FHEDMM C=CCN(CC1CCCCC1)Cn1nc(C(=O)[O-])c(Br)c1C ZINC000736108244 600460720 /nfs/dbraw/zinc/46/07/20/600460720.db2.gz PNXAPPIHPDHWCG-UHFFFAOYSA-N -1 1 370.291 3.678 20 30 FHEDMM N#Cc1ccc([C@H](NCc2ccccc2OC2CCCC2)C(=O)[O-])cc1 ZINC000739104506 600595083 /nfs/dbraw/zinc/59/50/83/600595083.db2.gz BGMRESUIAMRSSY-FQEVSTJZSA-N -1 1 350.418 3.795 20 30 FHEDMM N#Cc1ccc([C@@H](NCc2ccc(OC3CCCCC3)nc2)C(=O)[O-])cc1 ZINC000739104449 600596590 /nfs/dbraw/zinc/59/65/90/600596590.db2.gz AZCDKTAPUZLHID-HXUWFJFHSA-N -1 1 365.433 3.580 20 30 FHEDMM C#Cc1cccc(N(Cc2cccs2)Cc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000823861650 607518710 /nfs/dbraw/zinc/51/87/10/607518710.db2.gz OYCBHBDFAAEANG-UHFFFAOYSA-N -1 1 372.457 3.511 20 30 FHEDMM C#Cc1cccc(N(Cc2cccs2)Cc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000823861650 607518712 /nfs/dbraw/zinc/51/87/12/607518712.db2.gz OYCBHBDFAAEANG-UHFFFAOYSA-N -1 1 372.457 3.511 20 30 FHEDMM N#CC(C(=O)c1ccc(NC(=O)[O-])cc1)c1nc(-c2ccncc2)cs1 ZINC000739075909 603169345 /nfs/dbraw/zinc/16/93/45/603169345.db2.gz VWVRMAGIMWTVMV-CQSZACIVSA-N -1 1 364.386 3.785 20 30 FHEDMM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc(-c2ccncc2)cs1 ZINC000833063573 604881901 /nfs/dbraw/zinc/88/19/01/604881901.db2.gz KATMOJUPTCMJKG-CYBMUJFWSA-N -1 1 367.361 3.532 20 30 FHEDMM N#CCCCOc1cccc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833760637 605548079 /nfs/dbraw/zinc/54/80/79/605548079.db2.gz YYSFYRDBVOYITP-UHFFFAOYSA-N -1 1 350.418 3.626 20 30 FHEDMM C=CCCCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000819734538 606314622 /nfs/dbraw/zinc/31/46/22/606314622.db2.gz QHCOIWIFPRTXCY-UHFFFAOYSA-N -1 1 364.409 3.657 20 30 FHEDMM O=C1c2c([nH]c3ccc(F)cc32)CCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823505025 606391437 /nfs/dbraw/zinc/39/14/37/606391437.db2.gz XAVFNHKZHSMZAA-VQHVLOKHSA-N -1 1 365.393 3.761 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cc3ccccc3s2)o1 ZINC000820202689 606916781 /nfs/dbraw/zinc/91/67/81/606916781.db2.gz JQSBIBRGSUETRS-UHFFFAOYSA-N -1 1 353.411 3.639 20 30 FHEDMM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400856 608092181 /nfs/dbraw/zinc/09/21/81/608092181.db2.gz JWNFAMIMLMBPQA-DUXPYHPUSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400856 608092182 /nfs/dbraw/zinc/09/21/82/608092182.db2.gz JWNFAMIMLMBPQA-DUXPYHPUSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826402196 608092378 /nfs/dbraw/zinc/09/23/78/608092378.db2.gz OMJPWNRNCUHVJL-AATRIKPKSA-N -1 1 350.325 3.843 20 30 FHEDMM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826402196 608092379 /nfs/dbraw/zinc/09/23/79/608092379.db2.gz OMJPWNRNCUHVJL-AATRIKPKSA-N -1 1 350.325 3.843 20 30 FHEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c2ccccc12 ZINC000826190509 608093423 /nfs/dbraw/zinc/09/34/23/608093423.db2.gz DLUBMINDYQYIAO-VURMDHGXSA-N -1 1 362.414 3.986 20 30 FHEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c2ccccc12 ZINC000826190509 608093424 /nfs/dbraw/zinc/09/34/24/608093424.db2.gz DLUBMINDYQYIAO-VURMDHGXSA-N -1 1 362.414 3.986 20 30 FHEDMM Cc1cccc2c1[C@@H](C)CC2N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000826304870 608318123 /nfs/dbraw/zinc/31/81/23/608318123.db2.gz BKATUTWHUXBOSP-NSHDSACASA-N -1 1 351.414 3.610 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(CC2CCCCC2)n[nH]1 ZINC000471522985 930148374 /nfs/dbraw/zinc/14/83/74/930148374.db2.gz NTWKGCPPZWHMMH-UHFFFAOYSA-N -1 1 358.467 3.513 20 30 FHEDMM C[C@@H]1CCn2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2C1 ZINC000580430050 930670952 /nfs/dbraw/zinc/67/09/52/930670952.db2.gz TTWOQMBEMLYNTQ-VXGBXAGGSA-N -1 1 369.375 3.700 20 30 FHEDMM N#Cc1cc(Oc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2)ccn1 ZINC000580806406 931172693 /nfs/dbraw/zinc/17/26/93/931172693.db2.gz NOLVIJLMFUTGSY-UHFFFAOYSA-N -1 1 367.311 3.982 20 30 FHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccccc2SCC(N)=O)s1 ZINC000430618393 932332927 /nfs/dbraw/zinc/33/29/27/932332927.db2.gz TZOLVUQHYYGMRR-GFCCVEGCSA-N -1 1 373.503 3.508 20 30 FHEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2)n1 ZINC000126770343 932513877 /nfs/dbraw/zinc/51/38/77/932513877.db2.gz NUEXLYCORJJIFW-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000175971037 932892649 /nfs/dbraw/zinc/89/26/49/932892649.db2.gz HUCRTMYBUUFSLG-UHFFFAOYSA-N -1 1 353.403 3.686 20 30 FHEDMM N#Cc1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)nc2ccccc12 ZINC000581907207 932962570 /nfs/dbraw/zinc/96/25/70/932962570.db2.gz GEJFPDAWVGHBBB-UHFFFAOYSA-N -1 1 357.822 3.702 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1Cl ZINC000510794954 933735301 /nfs/dbraw/zinc/73/53/01/933735301.db2.gz IDKWGBVGXDTGEL-ZDUSSCGKSA-N -1 1 366.792 3.611 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1C(F)(F)F ZINC000431187126 934085092 /nfs/dbraw/zinc/08/50/92/934085092.db2.gz MSGIXIZJHWRJSB-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc2s1 ZINC000427111216 945096917 /nfs/dbraw/zinc/09/69/17/945096917.db2.gz YPVKCHNYZSKZOE-UHFFFAOYSA-N -1 1 363.851 3.931 20 30 FHEDMM C=CCn1c(Cc2csc(NC(=O)CCC(C)C)n2)n[n-]c1=S ZINC000026095304 945157734 /nfs/dbraw/zinc/15/77/34/945157734.db2.gz JVRICUQRTDWWSW-UHFFFAOYSA-N -1 1 351.501 3.549 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000179027578 938548828 /nfs/dbraw/zinc/54/88/28/938548828.db2.gz DKHKWJGBSWLWHU-UHFFFAOYSA-N -1 1 372.780 3.922 20 30 FHEDMM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000179084587 938801341 /nfs/dbraw/zinc/80/13/41/938801341.db2.gz NQNRGLYZWRCYEO-UHFFFAOYSA-N -1 1 363.870 3.695 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1F ZINC000427256526 945232674 /nfs/dbraw/zinc/23/26/74/945232674.db2.gz LTRLDELUZZYBOV-UHFFFAOYSA-N -1 1 358.316 3.603 20 30 FHEDMM CC(=O)c1cccc(OCc2cc(C(=O)[N-]c3sccc3C#N)no2)c1 ZINC000179902505 940089484 /nfs/dbraw/zinc/08/94/84/940089484.db2.gz BEWUDTFVXHVTPX-UHFFFAOYSA-N -1 1 367.386 3.642 20 30 FHEDMM COCCOc1ccc(C#N)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000472493329 940417716 /nfs/dbraw/zinc/41/77/16/940417716.db2.gz DGBZGHXSKVZIII-UHFFFAOYSA-N -1 1 362.385 3.695 20 30 FHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000066587717 940700631 /nfs/dbraw/zinc/70/06/31/940700631.db2.gz ORRLRCWYWYGOJE-UHFFFAOYSA-N -1 1 371.414 3.549 20 30 FHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000188671171 940917028 /nfs/dbraw/zinc/91/70/28/940917028.db2.gz DUGUOXRNPLTWQH-SNVBAGLBSA-N -1 1 350.296 3.653 20 30 FHEDMM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589174270 941232282 /nfs/dbraw/zinc/23/22/82/941232282.db2.gz RWXOOEWNMLMZAX-YLJYHZDGSA-N -1 1 350.418 3.504 20 30 FHEDMM C=C(C)CN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000183059681 941486730 /nfs/dbraw/zinc/48/67/30/941486730.db2.gz JDHIYSDHEKWQBL-UHFFFAOYSA-N -1 1 360.360 3.571 20 30 FHEDMM C=CC(C)(C)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000628318801 941756400 /nfs/dbraw/zinc/75/64/00/941756400.db2.gz UXGIVKDPLKSHEM-UHFFFAOYSA-N -1 1 372.490 3.820 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)c1 ZINC000183146027 942183650 /nfs/dbraw/zinc/18/36/50/942183650.db2.gz KVCBJYRIOVRHNC-UHFFFAOYSA-N -1 1 358.753 3.614 20 30 FHEDMM N#Cc1cccc([C@H]2CN(C(=O)c3ccc4ccccc4c3[O-])CCO2)c1 ZINC000367111331 942860577 /nfs/dbraw/zinc/86/05/77/942860577.db2.gz WHASPNFAYFOZRY-HXUWFJFHSA-N -1 1 358.397 3.631 20 30 FHEDMM CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000425168582 942926918 /nfs/dbraw/zinc/92/69/18/942926918.db2.gz ZYCXZSMYQVPXDE-UHFFFAOYSA-N -1 1 362.351 3.987 20 30 FHEDMM CC(=Cc1ccc(Cl)cc1Br)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338689 943340190 /nfs/dbraw/zinc/34/01/90/943340190.db2.gz IDBYIVCRBDEHKE-VMPITWQZSA-N -1 1 364.630 3.926 20 30 FHEDMM COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435733642 943587560 /nfs/dbraw/zinc/58/75/60/943587560.db2.gz UNWDNPOWHBQXHE-UHFFFAOYSA-N -1 1 372.446 3.578 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)ccc1C#N ZINC000435736066 943588114 /nfs/dbraw/zinc/58/81/14/943588114.db2.gz SWIXFHBALCVOQH-UHFFFAOYSA-N -1 1 354.435 3.598 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCCCC2)cc1 ZINC000518328892 944277846 /nfs/dbraw/zinc/27/78/46/944277846.db2.gz MLAGXYZPMQTYST-UHFFFAOYSA-N -1 1 355.463 3.739 20 30 FHEDMM CSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000517594659 944412605 /nfs/dbraw/zinc/41/26/05/944412605.db2.gz DWNKJCIOGBCIHH-UHFFFAOYSA-N -1 1 352.868 3.875 20 30 FHEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436630535 944471224 /nfs/dbraw/zinc/47/12/24/944471224.db2.gz OBQUFBWMWDRYGL-UHFFFAOYSA-N -1 1 351.402 3.849 20 30 FHEDMM C=C(C)CN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436741174 944569616 /nfs/dbraw/zinc/56/96/16/944569616.db2.gz RYJKDEOVNGEARI-LJQANCHMSA-N -1 1 366.461 3.575 20 30 FHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c3ncccc23)c1 ZINC000516238370 944607670 /nfs/dbraw/zinc/60/76/70/944607670.db2.gz NTUXRPVBFOBUKF-UHFFFAOYSA-N -1 1 370.430 3.609 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCCC)cc1 ZINC000438757065 944994032 /nfs/dbraw/zinc/99/40/32/944994032.db2.gz KSWHHPXQGQLCJY-UHFFFAOYSA-N -1 1 373.478 3.970 20 30 FHEDMM C[C@H]1C(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C[C@@H]1c1ccccc1 ZINC000820643013 945506221 /nfs/dbraw/zinc/50/62/21/945506221.db2.gz OPRPAFBBTZBOKL-YPMHNXCESA-N -1 1 365.441 3.744 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)cc1[O-] ZINC000519712497 945688525 /nfs/dbraw/zinc/68/85/25/945688525.db2.gz WDICPMNUSNDPNU-UHFFFAOYSA-N -1 1 367.474 3.619 20 30 FHEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1C#N ZINC000441389183 946544469 /nfs/dbraw/zinc/54/44/69/946544469.db2.gz WFWRZICGHWTBOJ-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM O=C(N[C@@H]1CCC(=O)NC12CCC2)c1ccc(Br)c([O-])c1 ZINC000328698374 946993328 /nfs/dbraw/zinc/99/33/28/946993328.db2.gz LSSWNDIWRYBPQA-GFCCVEGCSA-N -1 1 353.216 3.501 20 30 FHEDMM Cc1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c(Br)s1 ZINC000330705121 947253620 /nfs/dbraw/zinc/25/36/20/947253620.db2.gz NCGQJXPJFKUJJI-UHFFFAOYSA-N -1 1 361.290 3.999 20 30 FHEDMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)C1CCN(CC(F)(F)F)CC1 ZINC000330869156 947288454 /nfs/dbraw/zinc/28/84/54/947288454.db2.gz AROIJEIRLZRFNJ-SECBINFHSA-N -1 1 366.330 3.638 20 30 FHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc([N+](=O)[O-])cn3C)n2)cc1 ZINC000603836671 568159688 /nfs/dbraw/zinc/15/96/88/568159688.db2.gz YUJXJTMNJNHMOK-AWEZNQCLSA-N -1 1 366.402 3.855 20 30 FHEDMM C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000028492130 568300489 /nfs/dbraw/zinc/30/04/89/568300489.db2.gz BAEKYFGZBGLYAS-UHFFFAOYSA-N -1 1 370.474 3.610 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(Cc2cccc(Cl)c2)CC(C)C)o1 ZINC000737466959 598567749 /nfs/dbraw/zinc/56/77/49/598567749.db2.gz ISHCWJULAAZFEB-UHFFFAOYSA-N -1 1 373.848 3.873 20 30 FHEDMM Cc1ccccc1C1CC(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C1 ZINC000822350688 599337623 /nfs/dbraw/zinc/33/76/23/599337623.db2.gz GCVUOBNURMTYNB-UHFFFAOYSA-N -1 1 365.441 3.806 20 30 FHEDMM CC[C@@H](C)Oc1cc(C)ccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000828759471 601643950 /nfs/dbraw/zinc/64/39/50/601643950.db2.gz UTADINKURKVBLD-QRWLVFNGSA-N -1 1 352.434 3.960 20 30 FHEDMM N#CC(C(=O)c1ccc(CNC(=O)[O-])cc1)c1nc2cc(F)ccc2s1 ZINC000740303060 602479614 /nfs/dbraw/zinc/47/96/14/602479614.db2.gz GEMANQKEVMWGHM-CYBMUJFWSA-N -1 1 369.377 3.693 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2coc3ccccc23)o1 ZINC000823962037 607652743 /nfs/dbraw/zinc/65/27/43/607652743.db2.gz DJNJCZKTFSAUSV-UHFFFAOYSA-N -1 1 351.370 3.560 20 30 FHEDMM CC[C@](C)(COc1ncccc1Cl)NCc1cccc(C(=O)[O-])c1C#N ZINC000833636770 604718045 /nfs/dbraw/zinc/71/80/45/604718045.db2.gz CQYCPIBRUATYPO-LJQANCHMSA-N -1 1 373.840 3.642 20 30 FHEDMM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000833386989 605593276 /nfs/dbraw/zinc/59/32/76/605593276.db2.gz IQSHWLOCXDCXBQ-UHFFFAOYSA-N -1 1 367.449 3.912 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)[C@@H](C)c2ccccc2)o1 ZINC000819783566 606033204 /nfs/dbraw/zinc/03/32/04/606033204.db2.gz ZMPSUXJMIGPWBX-GFCCVEGCSA-N -1 1 353.430 3.645 20 30 FHEDMM COc1cccc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)oc21 ZINC000821877774 606389364 /nfs/dbraw/zinc/38/93/64/606389364.db2.gz VCIUACHAUINHAH-FNORWQNLSA-N -1 1 352.375 3.579 20 30 FHEDMM C[C@H](CCN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccccc1 ZINC000824402140 607887240 /nfs/dbraw/zinc/88/72/40/607887240.db2.gz UWPKJWYFCHJSEH-GFCCVEGCSA-N -1 1 353.430 3.744 20 30 FHEDMM CCSc1ccc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000825675200 607887591 /nfs/dbraw/zinc/88/75/91/607887591.db2.gz ZMKALXYWJLKTSX-UHFFFAOYSA-N -1 1 371.470 3.926 20 30 FHEDMM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2O1 ZINC000824813272 608091595 /nfs/dbraw/zinc/09/15/95/608091595.db2.gz XCVWDVRYUUHTHX-HWKANZROSA-N -1 1 352.419 3.538 20 30 FHEDMM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2O1 ZINC000824813272 608091596 /nfs/dbraw/zinc/09/15/96/608091596.db2.gz XCVWDVRYUUHTHX-HWKANZROSA-N -1 1 352.419 3.538 20 30 FHEDMM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)c2O1 ZINC000824812071 608092674 /nfs/dbraw/zinc/09/26/74/608092674.db2.gz HYZDWTGTTQHLDK-SREVYHEPSA-N -1 1 352.419 3.538 20 30 FHEDMM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)c2O1 ZINC000824812071 608092675 /nfs/dbraw/zinc/09/26/75/608092675.db2.gz HYZDWTGTTQHLDK-SREVYHEPSA-N -1 1 352.419 3.538 20 30 FHEDMM O=C(C=Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000826401498 608093257 /nfs/dbraw/zinc/09/32/57/608093257.db2.gz AJCVHSOGZOYCRM-AATRIKPKSA-N -1 1 361.224 3.587 20 30 FHEDMM O=C(C=Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)s1 ZINC000826401498 608093258 /nfs/dbraw/zinc/09/32/58/608093258.db2.gz AJCVHSOGZOYCRM-AATRIKPKSA-N -1 1 361.224 3.587 20 30 FHEDMM COc1ccc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2c1 ZINC000826213514 608093579 /nfs/dbraw/zinc/09/35/79/608093579.db2.gz ZNEHLWMOCPUJIA-CLTKARDFSA-N -1 1 362.414 3.986 20 30 FHEDMM COc1ccc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2c1 ZINC000826213514 608093580 /nfs/dbraw/zinc/09/35/80/608093580.db2.gz ZNEHLWMOCPUJIA-CLTKARDFSA-N -1 1 362.414 3.986 20 30 FHEDMM Cc1ccc(C#N)c(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)n1 ZINC000826281413 608290186 /nfs/dbraw/zinc/29/01/86/608290186.db2.gz QGYKEFQTRBXOHM-UHFFFAOYSA-N -1 1 373.445 3.782 20 30 FHEDMM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000160186293 927150339 /nfs/dbraw/zinc/15/03/39/927150339.db2.gz UEKZXCCBERCNNI-NSHDSACASA-N -1 1 368.245 3.973 20 30 FHEDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F ZINC001211570168 937239550 /nfs/dbraw/zinc/23/95/50/937239550.db2.gz RPJWGLNUUDBHJM-JTQLQIEISA-N -1 1 367.286 3.710 20 30 FHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccccc2SCC(N)=O)s1 ZINC000430618394 932333051 /nfs/dbraw/zinc/33/30/51/932333051.db2.gz TZOLVUQHYYGMRR-LBPRGKRZSA-N -1 1 373.503 3.508 20 30 FHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(N)=O)cc3)n2)cc1 ZINC000051150913 932450955 /nfs/dbraw/zinc/45/09/55/932450955.db2.gz RLMGVPATVJWAPP-MRXNPFEDSA-N -1 1 361.426 3.708 20 30 FHEDMM N#CCCn1cc(/C=C2/Oc3cc([O-])ccc3C2=O)c(-c2ccccc2)n1 ZINC000255377969 932878449 /nfs/dbraw/zinc/87/84/49/932878449.db2.gz LNNXUGZXPQLMMJ-YBFXNURJSA-N -1 1 357.369 3.786 20 30 FHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000091416356 933471589 /nfs/dbraw/zinc/47/15/89/933471589.db2.gz OQMSUVOMQKUPJV-MRVPVSSYSA-N -1 1 371.178 3.512 20 30 FHEDMM Cc1cc(C#N)cc(C)c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000891970639 934658463 /nfs/dbraw/zinc/65/84/63/934658463.db2.gz HJKNTOGOOWOPHT-UHFFFAOYSA-N -1 1 362.429 3.616 20 30 FHEDMM C=CCC1([N-]S(=O)(=O)c2sccc2Br)CCCC1 ZINC000657187122 934689593 /nfs/dbraw/zinc/68/95/93/934689593.db2.gz KOKBLKZHKWJHON-UHFFFAOYSA-N -1 1 350.303 3.678 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1Cl ZINC000511198367 936158210 /nfs/dbraw/zinc/15/82/10/936158210.db2.gz FZTUJWYDZIXAJK-UHFFFAOYSA-N -1 1 359.794 3.667 20 30 FHEDMM CC(C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)=C1CCCC1 ZINC000161898303 938433588 /nfs/dbraw/zinc/43/35/88/938433588.db2.gz GYQZEMMWSULXIM-AWEZNQCLSA-N -1 1 367.474 3.930 20 30 FHEDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1Cl ZINC000583904345 938476300 /nfs/dbraw/zinc/47/63/00/938476300.db2.gz QVHWUFGUONTYBJ-UHFFFAOYSA-N -1 1 356.831 3.873 20 30 FHEDMM CC[C@H](CSc1ccc(C)c(C)c1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000583986334 938519789 /nfs/dbraw/zinc/51/97/89/938519789.db2.gz XZZQOSLXPTTWRD-CQSZACIVSA-N -1 1 364.492 3.617 20 30 FHEDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)[nH]n2)c1 ZINC000427241232 945217429 /nfs/dbraw/zinc/21/74/29/945217429.db2.gz ILEGHVNHRZMAHQ-UHFFFAOYSA-N -1 1 370.409 3.505 20 30 FHEDMM Cc1ccc(C(=O)C2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c(C)c1 ZINC000685420960 938985375 /nfs/dbraw/zinc/98/53/75/938985375.db2.gz IDJSQPNJNIYEBJ-UHFFFAOYSA-N -1 1 362.429 3.616 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2C)ccc1C#N ZINC000235750097 938993450 /nfs/dbraw/zinc/99/34/50/938993450.db2.gz IJQUDZKVKRTQNA-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647378739 939079693 /nfs/dbraw/zinc/07/96/93/939079693.db2.gz WOANYYLKDJWTDC-HNNXBMFYSA-N -1 1 353.447 3.649 20 30 FHEDMM COc1ccc2oc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)c(C)c2c1 ZINC000188293377 939139824 /nfs/dbraw/zinc/13/98/24/939139824.db2.gz KINVSDQGEXAIKI-GFCCVEGCSA-N -1 1 350.374 3.818 20 30 FHEDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2C)n1 ZINC000427260597 945235218 /nfs/dbraw/zinc/23/52/18/945235218.db2.gz OINRAJSMIQPSMI-UHFFFAOYSA-N -1 1 371.393 3.770 20 30 FHEDMM Cc1cc(C(C#N)=C([O-])C2=Cc3ccccc3O[C@@H]2C(F)(F)F)nc(C)n1 ZINC000892475853 939916153 /nfs/dbraw/zinc/91/61/53/939916153.db2.gz OFMGYOSBRQUYSS-KDOFPFPSSA-N -1 1 373.334 3.677 20 30 FHEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc2cc(Cl)ccc2s1 ZINC000613403779 940678714 /nfs/dbraw/zinc/67/87/14/940678714.db2.gz SZYOAHBIPVPMCJ-GFCCVEGCSA-N -1 1 370.821 3.930 20 30 FHEDMM C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000189267590 941154308 /nfs/dbraw/zinc/15/43/08/941154308.db2.gz GEINDXDFFSOVFI-XIKOKIGWSA-N -1 1 356.809 3.519 20 30 FHEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000189820341 941283909 /nfs/dbraw/zinc/28/39/09/941283909.db2.gz IBWYAHASTACDCN-UHFFFAOYSA-N -1 1 360.851 3.968 20 30 FHEDMM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000024506811 941848989 /nfs/dbraw/zinc/84/89/89/941848989.db2.gz XJDJTVFQVWPDMD-UHFFFAOYSA-N -1 1 353.727 3.846 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000513383859 941891931 /nfs/dbraw/zinc/89/19/31/941891931.db2.gz LLVVFLSOSQVICS-UHFFFAOYSA-N -1 1 372.780 3.922 20 30 FHEDMM C=CCCc1ccccc1NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000504265756 943573582 /nfs/dbraw/zinc/57/35/82/943573582.db2.gz PTFIEBMPHYJLEK-UHFFFAOYSA-N -1 1 364.449 3.742 20 30 FHEDMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n1 ZINC000435724808 943581588 /nfs/dbraw/zinc/58/15/88/943581588.db2.gz VMUSGWQQXCPKBS-UHFFFAOYSA-N -1 1 367.430 3.939 20 30 FHEDMM C=C(C)C[C@H](NC(C)=O)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000664846158 944685801 /nfs/dbraw/zinc/68/58/01/944685801.db2.gz PNRYNLXOHANQLH-ZDUSSCGKSA-N -1 1 365.817 3.638 20 30 FHEDMM C=CCCN(C)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436849051 944715905 /nfs/dbraw/zinc/71/59/05/944715905.db2.gz QWMJJVFOPGXVEG-UHFFFAOYSA-N -1 1 360.360 3.571 20 30 FHEDMM C=CC[C@H](NCc1ccc(-c2cccc(Br)c2)o1)C(=O)[O-] ZINC000426825142 944847389 /nfs/dbraw/zinc/84/73/89/944847389.db2.gz LDPXAIVPSKRRSH-AWEZNQCLSA-N -1 1 350.212 3.828 20 30 FHEDMM N#Cc1cccc(Oc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)c1 ZINC000436993244 944887432 /nfs/dbraw/zinc/88/74/32/944887432.db2.gz AAKVLMAYDZZYNP-UHFFFAOYSA-N -1 1 358.353 3.878 20 30 FHEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccc1C ZINC000048813436 945796110 /nfs/dbraw/zinc/79/61/10/945796110.db2.gz YWULLYOSYJMPEY-HNNXBMFYSA-N -1 1 355.401 3.856 20 30 FHEDMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(CC#N)cc2)c1 ZINC000067508894 946506032 /nfs/dbraw/zinc/50/60/32/946506032.db2.gz BHTXWAUDAAKCSH-UHFFFAOYSA-N -1 1 363.446 3.621 20 30 FHEDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000030530636 946603200 /nfs/dbraw/zinc/60/32/00/946603200.db2.gz ZYKUCOVRIFYPMU-UHFFFAOYSA-N -1 1 359.407 3.505 20 30 FHEDMM N#Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)cc1 ZINC000444362176 947171775 /nfs/dbraw/zinc/17/17/75/947171775.db2.gz JITDUVYLOAWGGN-UHFFFAOYSA-N -1 1 363.417 3.579 20 30 FHEDMM C=CCCCCCCCCNC(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001573335859 947491884 /nfs/dbraw/zinc/49/18/84/947491884.db2.gz VZOXPOXEZAQXPI-UHFFFAOYSA-N -1 1 366.469 3.995 20 30 FHEDMM C=CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1)C(C)C ZINC000728868206 947830191 /nfs/dbraw/zinc/83/01/91/947830191.db2.gz DICUOXCBPBBQLL-UHFFFAOYSA-N -1 1 372.490 3.832 20 30 FHEDMM C=CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C(C)C ZINC000728868811 947831159 /nfs/dbraw/zinc/83/11/59/947831159.db2.gz PKRLBBWDIAKXIJ-UHFFFAOYSA-N -1 1 358.463 3.524 20 30 FHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000067006213 948742554 /nfs/dbraw/zinc/74/25/54/948742554.db2.gz SYJWWJLAXCCKTO-ORCRQEGFSA-N -1 1 361.800 3.917 20 30 FHEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000066814232 568070976 /nfs/dbraw/zinc/07/09/76/568070976.db2.gz BEHYTLNUPXBBON-ZDUSSCGKSA-N -1 1 374.487 3.817 20 30 FHEDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000481960382 568197013 /nfs/dbraw/zinc/19/70/13/568197013.db2.gz BZWYLRVZOQWMRM-UHFFFAOYSA-N -1 1 350.827 3.801 20 30 FHEDMM CCC(Cc1ccc(C)cc1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736353000 598638977 /nfs/dbraw/zinc/63/89/77/598638977.db2.gz NAAXOHHFANOAAE-UHFFFAOYSA-N -1 1 353.430 3.707 20 30 FHEDMM Cc1ccccc1C(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)C1CC1 ZINC000737415200 598639715 /nfs/dbraw/zinc/63/97/15/598639715.db2.gz MIXJDLSRLCQGPT-UHFFFAOYSA-N -1 1 365.441 3.687 20 30 FHEDMM Cc1ccccc1C(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)C1CC1 ZINC000737415177 598639890 /nfs/dbraw/zinc/63/98/90/598639890.db2.gz LFOHZFYUJSSTRJ-UHFFFAOYSA-N -1 1 365.441 3.588 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCc3cc(Cl)ccc32)o1 ZINC000819965360 599336351 /nfs/dbraw/zinc/33/63/51/599336351.db2.gz CVAXAZSAUKRSKS-UHFFFAOYSA-N -1 1 371.832 3.568 20 30 FHEDMM N#Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c1 ZINC000739119175 599792212 /nfs/dbraw/zinc/79/22/12/599792212.db2.gz ZCAKEAKZGLZZSN-OAHLLOKOSA-N -1 1 352.287 3.632 20 30 FHEDMM N#Cc1cccc([C@@H](NCc2ccc(Oc3ccccc3)nc2)C(=O)[O-])c1 ZINC000833075370 601304543 /nfs/dbraw/zinc/30/45/43/601304543.db2.gz KVUKNGZDVNZVLO-HXUWFJFHSA-N -1 1 359.385 3.661 20 30 FHEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OCC2CC2)c1 ZINC000832935152 601494744 /nfs/dbraw/zinc/49/47/44/601494744.db2.gz XCQRWWVHIDFSIZ-FQEVSTJZSA-N -1 1 350.418 3.571 20 30 FHEDMM CC(C)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820103337 606388465 /nfs/dbraw/zinc/38/84/65/606388465.db2.gz VLUDMGPVQQLGNA-VQHVLOKHSA-N -1 1 354.435 3.859 20 30 FHEDMM N#Cc1ccc(Oc2ccc(Oc3ncccc3-c3nn[n-]n3)cc2)cc1 ZINC000822833291 606434755 /nfs/dbraw/zinc/43/47/55/606434755.db2.gz NQWQUOWJMMMMKV-UHFFFAOYSA-N -1 1 356.345 3.718 20 30 FHEDMM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399612 608092351 /nfs/dbraw/zinc/09/23/51/608092351.db2.gz AKAKQXLETZPVEU-OWOJBTEDSA-N -1 1 367.253 3.648 20 30 FHEDMM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399612 608092352 /nfs/dbraw/zinc/09/23/52/608092352.db2.gz AKAKQXLETZPVEU-OWOJBTEDSA-N -1 1 367.253 3.648 20 30 FHEDMM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC(C)C ZINC000826215503 608092716 /nfs/dbraw/zinc/09/27/16/608092716.db2.gz QGHLCXBMCCUKGE-FPLPWBNLSA-N -1 1 370.434 3.620 20 30 FHEDMM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1OC(C)C ZINC000826215503 608092717 /nfs/dbraw/zinc/09/27/17/608092717.db2.gz QGHLCXBMCCUKGE-FPLPWBNLSA-N -1 1 370.434 3.620 20 30 FHEDMM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)c2O1 ZINC000824812073 608092722 /nfs/dbraw/zinc/09/27/22/608092722.db2.gz HYZDWTGTTQHLDK-VOTSOKGWSA-N -1 1 352.419 3.538 20 30 FHEDMM CC1(C)Cc2cccc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)c2O1 ZINC000824812073 608092723 /nfs/dbraw/zinc/09/27/23/608092723.db2.gz HYZDWTGTTQHLDK-VOTSOKGWSA-N -1 1 352.419 3.538 20 30 FHEDMM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400953 608092946 /nfs/dbraw/zinc/09/29/46/608092946.db2.gz LVRHSCVWLZBDQP-VOTSOKGWSA-N -1 1 359.414 3.886 20 30 FHEDMM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400953 608092947 /nfs/dbraw/zinc/09/29/47/608092947.db2.gz LVRHSCVWLZBDQP-VOTSOKGWSA-N -1 1 359.414 3.886 20 30 FHEDMM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400748 608094075 /nfs/dbraw/zinc/09/40/75/608094075.db2.gz HJASWASXDIYTIU-PLNGDYQASA-N -1 1 366.324 3.723 20 30 FHEDMM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400748 608094076 /nfs/dbraw/zinc/09/40/76/608094076.db2.gz HJASWASXDIYTIU-PLNGDYQASA-N -1 1 366.324 3.723 20 30 FHEDMM C=C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000123507188 929043351 /nfs/dbraw/zinc/04/33/51/929043351.db2.gz KOKNLRBZASFPSH-LURJTMIESA-N -1 1 359.072 3.609 20 30 FHEDMM O=[N+]([O-])c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[O-] ZINC000748132569 929992513 /nfs/dbraw/zinc/99/25/13/929992513.db2.gz VUXOWOQZWAGJPW-UHFFFAOYSA-N -1 1 370.243 3.673 20 30 FHEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000134485443 932084032 /nfs/dbraw/zinc/08/40/32/932084032.db2.gz WCPFVYNXLQVYMF-ORCRQEGFSA-N -1 1 361.800 3.917 20 30 FHEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000581684426 932497001 /nfs/dbraw/zinc/49/70/01/932497001.db2.gz LYYKLTYRELHINY-UHFFFAOYSA-N -1 1 368.808 3.967 20 30 FHEDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc2C)n1 ZINC000178147175 932676306 /nfs/dbraw/zinc/67/63/06/932676306.db2.gz CJHYXRYPKPTQDV-UHFFFAOYSA-N -1 1 367.430 3.939 20 30 FHEDMM N#CCCN(Cn1c(CCC2CCCC2)n[n-]c1=S)CC(F)(F)F ZINC000176050785 933018525 /nfs/dbraw/zinc/01/85/25/933018525.db2.gz RXYLHNLWXCZNOK-UHFFFAOYSA-N -1 1 361.437 3.799 20 30 FHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091018726 933567139 /nfs/dbraw/zinc/56/71/39/933567139.db2.gz BBIPSUAMLSZUSD-UHFFFAOYSA-N -1 1 359.451 3.578 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000431188798 934108974 /nfs/dbraw/zinc/10/89/74/934108974.db2.gz YBFYRUXHDXYSDI-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1cn(-c2ccccc2)nn1 ZINC000255474346 935138417 /nfs/dbraw/zinc/13/84/17/935138417.db2.gz HOFIMWPNCLAKEA-CLFYSBASSA-N -1 1 370.206 3.632 20 30 FHEDMM CN(C)[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccs1 ZINC000255506776 935640162 /nfs/dbraw/zinc/64/01/62/935640162.db2.gz ASLFPVSRNIHHMT-RSQQOUAVSA-N -1 1 353.831 3.737 20 30 FHEDMM N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1nc(C2CC2)cs1 ZINC000647376383 939071248 /nfs/dbraw/zinc/07/12/48/939071248.db2.gz ROYCGKQCBXKBFZ-OAHLLOKOSA-N -1 1 351.431 3.637 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1F ZINC000427280633 945247682 /nfs/dbraw/zinc/24/76/82/945247682.db2.gz LEEVXIJSORHGQR-UHFFFAOYSA-N -1 1 374.437 3.957 20 30 FHEDMM Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC000188561876 940077471 /nfs/dbraw/zinc/07/74/71/940077471.db2.gz IOMWQVQZWQDCFL-OAHLLOKOSA-N -1 1 360.417 3.557 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@H](c2c(F)cccc2F)C(F)(F)F)cc1[O-] ZINC000189198185 941153827 /nfs/dbraw/zinc/15/38/27/941153827.db2.gz PQJFLZRVLNLOSB-CQSZACIVSA-N -1 1 356.250 3.575 20 30 FHEDMM Cc1cccc2nc(C3CCN(C(=O)c4ccc(C#N)c([O-])c4)CC3)oc21 ZINC000189269122 941154339 /nfs/dbraw/zinc/15/43/39/941154339.db2.gz UGCGTXVWVIMYHW-UHFFFAOYSA-N -1 1 361.401 3.733 20 30 FHEDMM N#CC(=C([O-])c1coc2ccc(Cl)cc21)c1nnc2n1CCCCC2 ZINC000651268782 942251634 /nfs/dbraw/zinc/25/16/34/942251634.db2.gz PEOMGJFSZMEUGN-CYBMUJFWSA-N -1 1 354.797 3.894 20 30 FHEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000783079362 942309381 /nfs/dbraw/zinc/30/93/81/942309381.db2.gz HACOTZGPDWEPIG-AWEZNQCLSA-N -1 1 372.446 3.628 20 30 FHEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000783079372 942309431 /nfs/dbraw/zinc/30/94/31/942309431.db2.gz HACOTZGPDWEPIG-CQSZACIVSA-N -1 1 372.446 3.628 20 30 FHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1C#N ZINC000435132410 943185479 /nfs/dbraw/zinc/18/54/79/943185479.db2.gz XHJPDFRWBVOEFH-UHFFFAOYSA-N -1 1 370.352 3.564 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504055680 943482171 /nfs/dbraw/zinc/48/21/71/943482171.db2.gz DQHGPOSVKIHABF-UHFFFAOYSA-N -1 1 372.780 3.922 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)ccc1C#N ZINC000435731623 943574626 /nfs/dbraw/zinc/57/46/26/943574626.db2.gz MKEMIVSZQKVEAF-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000437406504 943781500 /nfs/dbraw/zinc/78/15/00/943781500.db2.gz AVNQSVAFSQWGBC-KOMQPUFPSA-N -1 1 360.335 3.959 20 30 FHEDMM C=C(C)C(C)(C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000424636052 944023689 /nfs/dbraw/zinc/02/36/89/944023689.db2.gz CSDGIHPAEGMFBT-UHFFFAOYSA-N -1 1 372.490 3.706 20 30 FHEDMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000123673030 944395692 /nfs/dbraw/zinc/39/56/92/944395692.db2.gz FJINHMIVWNWCKE-UHFFFAOYSA-N -1 1 374.315 3.526 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(COC(C)C)cc2)n1 ZINC000518669606 944581647 /nfs/dbraw/zinc/58/16/47/944581647.db2.gz HOTHMZGBKSYYFE-HNNXBMFYSA-N -1 1 372.446 3.735 20 30 FHEDMM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1OC ZINC000426781926 944798609 /nfs/dbraw/zinc/79/86/09/944798609.db2.gz DXKYUBHUNDTMLK-IBGZPJMESA-N -1 1 359.397 3.705 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)cn1 ZINC000506639101 944851360 /nfs/dbraw/zinc/85/13/60/944851360.db2.gz HJDFMIFXQHUGLK-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM N#Cc1cccc(COc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)c1 ZINC000436982504 944875323 /nfs/dbraw/zinc/87/53/23/944875323.db2.gz HEKXOLXXJYVGHZ-UHFFFAOYSA-N -1 1 372.380 3.664 20 30 FHEDMM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC000518903952 944922484 /nfs/dbraw/zinc/92/24/84/944922484.db2.gz PTEWXQVAOXENIJ-UHFFFAOYSA-N -1 1 371.462 3.538 20 30 FHEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2n1 ZINC000438761277 944999981 /nfs/dbraw/zinc/99/99/81/944999981.db2.gz OFSBFFVRTJMYAD-UHFFFAOYSA-N -1 1 374.853 3.943 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1Br ZINC000438807871 945053232 /nfs/dbraw/zinc/05/32/32/945053232.db2.gz FHKHATSZHWGFIT-UHFFFAOYSA-N -1 1 365.252 3.624 20 30 FHEDMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC2(CC1)C(F)(F)C2(F)F ZINC000652751384 945604354 /nfs/dbraw/zinc/60/43/54/945604354.db2.gz ABTFJZYFDXAPMK-UHFFFAOYSA-N -1 1 371.252 3.918 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(Br)c1 ZINC000029967372 946154356 /nfs/dbraw/zinc/15/43/56/946154356.db2.gz SLWQAXHXRQHESL-UHFFFAOYSA-N -1 1 365.252 3.624 20 30 FHEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)OCC ZINC000444376084 946399918 /nfs/dbraw/zinc/39/99/18/946399918.db2.gz RMOFKCLIPLBXMG-LJQANCHMSA-N -1 1 374.481 3.765 20 30 FHEDMM O=C(Cc1ccc(F)c(Br)c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000054572817 946539554 /nfs/dbraw/zinc/53/95/54/946539554.db2.gz YOLAYJWEYAWGFX-UHFFFAOYSA-N -1 1 367.100 3.556 20 30 FHEDMM C=C[C@H]1CCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487489346 946592595 /nfs/dbraw/zinc/59/25/95/946592595.db2.gz UQRDGGHDPWFHAU-NSHDSACASA-N -1 1 361.239 3.884 20 30 FHEDMM C=CCCO[C@@H](C)c1nc(-c2cc(Br)c([O-])c(OC)c2)no1 ZINC000445390145 948738620 /nfs/dbraw/zinc/73/86/20/948738620.db2.gz HKQQZBWTJJNNJH-VIFPVBQESA-N -1 1 369.215 3.867 20 30 FHEDMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000603416826 568098590 /nfs/dbraw/zinc/09/85/90/568098590.db2.gz AUNJHZKONHAQNV-JLJPHGGASA-N -1 1 368.524 3.638 20 30 FHEDMM C=CC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000604881185 568383734 /nfs/dbraw/zinc/38/37/34/568383734.db2.gz ICVQIEJRPYPGGS-MRXNPFEDSA-N -1 1 372.490 3.799 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(C)(c3ccccc3)C2)o1 ZINC000735656702 598276421 /nfs/dbraw/zinc/27/64/21/598276421.db2.gz MWARMJFJTCFMNO-UHFFFAOYSA-N -1 1 365.441 3.672 20 30 FHEDMM CCC(Cc1ccc(C)cc1)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000736354640 598639059 /nfs/dbraw/zinc/63/90/59/598639059.db2.gz VPGQNKHYQIUKAV-UHFFFAOYSA-N -1 1 367.457 3.782 20 30 FHEDMM CC[C@@H](C)Oc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828758027 601643874 /nfs/dbraw/zinc/64/38/74/601643874.db2.gz GHCJTFUNIQGDIP-QRWLVFNGSA-N -1 1 352.434 3.960 20 30 FHEDMM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc2cc(F)ccc2s1 ZINC000833064267 604883914 /nfs/dbraw/zinc/88/39/14/604883914.db2.gz QLZAFMJSVKCDPS-LLVKDONJSA-N -1 1 358.325 3.763 20 30 FHEDMM CC[C@@](NCc1ccc(C#N)cc1Br)(C(=O)[O-])c1ccccc1 ZINC000833645857 605362414 /nfs/dbraw/zinc/36/24/14/605362414.db2.gz YYEIQLJTDDUDHC-SFHVURJKSA-N -1 1 373.250 3.800 20 30 FHEDMM N#Cc1ccc(CN[C@H](CNC(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000833971953 605632679 /nfs/dbraw/zinc/63/26/79/605632679.db2.gz QWRCWCNUXSNVKF-GOSISDBHSA-N -1 1 351.431 3.871 20 30 FHEDMM C(=NN(Cc1ccccc1)Cc1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000819718580 606368550 /nfs/dbraw/zinc/36/85/50/606368550.db2.gz KRHJTOCBADRZHN-UHFFFAOYSA-N -1 1 374.473 3.965 20 30 FHEDMM C=C(Cl)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819730219 606390055 /nfs/dbraw/zinc/39/00/55/606390055.db2.gz SRURJDZSQGLUAP-SOFGYWHQSA-N -1 1 372.837 3.956 20 30 FHEDMM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000822213133 606392713 /nfs/dbraw/zinc/39/27/13/606392713.db2.gz WCHVMPKTBUWRCP-XFXZXTDPSA-N -1 1 352.419 3.594 20 30 FHEDMM CCSc1ccccc1C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821461860 607111185 /nfs/dbraw/zinc/11/11/85/607111185.db2.gz UZQCJSUFGHNFLH-UHFFFAOYSA-N -1 1 371.470 3.926 20 30 FHEDMM Cc1cc(Cl)cc2c1OCCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822202348 607172329 /nfs/dbraw/zinc/17/23/29/607172329.db2.gz WFNLUUFLSVXRAZ-YFHOEESVSA-N -1 1 372.837 3.939 20 30 FHEDMM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826402197 608092172 /nfs/dbraw/zinc/09/21/72/608092172.db2.gz OMJPWNRNCUHVJL-WAYWQWQTSA-N -1 1 350.325 3.843 20 30 FHEDMM O=C(C=Cc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826402197 608092173 /nfs/dbraw/zinc/09/21/73/608092173.db2.gz OMJPWNRNCUHVJL-WAYWQWQTSA-N -1 1 350.325 3.843 20 30 FHEDMM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)co2)cc1 ZINC000826273740 608092928 /nfs/dbraw/zinc/09/29/28/608092928.db2.gz RLUJGTNODFSLGV-SREVYHEPSA-N -1 1 363.402 3.788 20 30 FHEDMM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)co2)cc1 ZINC000826273740 608092929 /nfs/dbraw/zinc/09/29/29/608092929.db2.gz RLUJGTNODFSLGV-SREVYHEPSA-N -1 1 363.402 3.788 20 30 FHEDMM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400280 608092956 /nfs/dbraw/zinc/09/29/56/608092956.db2.gz UUXRFNASKITTAQ-IWQZZHSRSA-N -1 1 367.253 3.648 20 30 FHEDMM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400280 608092957 /nfs/dbraw/zinc/09/29/57/608092957.db2.gz UUXRFNASKITTAQ-IWQZZHSRSA-N -1 1 367.253 3.648 20 30 FHEDMM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403172 608093163 /nfs/dbraw/zinc/09/31/63/608093163.db2.gz LPLXTXKTKIXRKB-BQYQJAHWSA-N -1 1 352.419 3.613 20 30 FHEDMM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403172 608093164 /nfs/dbraw/zinc/09/31/64/608093164.db2.gz LPLXTXKTKIXRKB-BQYQJAHWSA-N -1 1 352.419 3.613 20 30 FHEDMM O=C(C=Cc1cnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403658 608093338 /nfs/dbraw/zinc/09/33/38/608093338.db2.gz YOUUDKUOKKCRKS-VOTSOKGWSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403658 608093339 /nfs/dbraw/zinc/09/33/39/608093339.db2.gz YOUUDKUOKKCRKS-VOTSOKGWSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401009 608093997 /nfs/dbraw/zinc/09/39/97/608093997.db2.gz NAEMWAQCUMJGTI-SNAWJCMRSA-N -1 1 350.325 3.843 20 30 FHEDMM O=C(C=Cc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401009 608093998 /nfs/dbraw/zinc/09/39/98/608093998.db2.gz NAEMWAQCUMJGTI-SNAWJCMRSA-N -1 1 350.325 3.843 20 30 FHEDMM CCC[C@H](CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccccc1 ZINC000825232769 608750180 /nfs/dbraw/zinc/75/01/80/608750180.db2.gz KHJXLQDSVDSBID-CQSZACIVSA-N -1 1 353.430 3.960 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)ccc1C#N ZINC000582942776 936315247 /nfs/dbraw/zinc/31/52/47/936315247.db2.gz KXEHNCAHPWEVKV-UHFFFAOYSA-N -1 1 354.431 3.650 20 30 FHEDMM CN(C(=O)c1cccs1)c1ccccc1C(=O)C(C#N)c1ccccn1 ZINC000049457318 927074375 /nfs/dbraw/zinc/07/43/75/927074375.db2.gz KHSVDUFZWYTDKX-OAHLLOKOSA-N -1 1 361.426 3.910 20 30 FHEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000610192901 927868531 /nfs/dbraw/zinc/86/85/31/927868531.db2.gz DOFYSVOEDGZZEW-UHFFFAOYSA-N -1 1 367.430 3.718 20 30 FHEDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000134067210 929832092 /nfs/dbraw/zinc/83/20/92/929832092.db2.gz OWAXKHJITICHMZ-UHFFFAOYSA-N -1 1 365.798 3.538 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)c1 ZINC000431331643 935095058 /nfs/dbraw/zinc/09/50/58/935095058.db2.gz IZXGXDRBMJKSOF-UHFFFAOYSA-N -1 1 374.425 3.698 20 30 FHEDMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427110972 945097009 /nfs/dbraw/zinc/09/70/09/945097009.db2.gz XJGFJVLTEXGQBT-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM CSc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccc1NC(C)=O ZINC000048813732 936093374 /nfs/dbraw/zinc/09/33/74/936093374.db2.gz FDNRAKMGJGILBO-ZDUSSCGKSA-N -1 1 364.430 3.733 20 30 FHEDMM [O-]C(=Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1=NCCS1 ZINC000046551865 936283188 /nfs/dbraw/zinc/28/31/88/936283188.db2.gz JPVNLOWLVOCCDA-UHFFFAOYSA-N -1 1 371.409 3.590 20 30 FHEDMM N#CCc1ccc(CS(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)cc1 ZINC000583565042 938306247 /nfs/dbraw/zinc/30/62/47/938306247.db2.gz OAJPIQGRNDMRHR-UHFFFAOYSA-N -1 1 372.494 3.540 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Br ZINC000070430557 938951088 /nfs/dbraw/zinc/95/10/88/938951088.db2.gz YEYPSVNJCLRSGO-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000070430531 938951105 /nfs/dbraw/zinc/95/11/05/938951105.db2.gz WDAPQBXMQVCUAR-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM CSc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccn12 ZINC000647377932 939083179 /nfs/dbraw/zinc/08/31/79/939083179.db2.gz BFCQJAZJRXDZIU-LLVKDONJSA-N -1 1 354.460 3.880 20 30 FHEDMM Cc1cccc(CN(Cc2ccccn2)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000188246793 939093973 /nfs/dbraw/zinc/09/39/73/939093973.db2.gz KOFAGMIEXMUJNG-UHFFFAOYSA-N -1 1 357.413 3.810 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccs3)cc2F)c(=O)o1 ZINC000255769632 939195270 /nfs/dbraw/zinc/19/52/70/939195270.db2.gz JEJRSTHZLYHIAV-HPFMTEOYSA-N -1 1 356.374 3.782 20 30 FHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427267676 945238816 /nfs/dbraw/zinc/23/88/16/945238816.db2.gz PVQJIXGESYRUNE-UHFFFAOYSA-N -1 1 372.475 3.709 20 30 FHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(CC3CC3)s2)cc1 ZINC000892490041 940026623 /nfs/dbraw/zinc/02/66/23/940026623.db2.gz OIYMMAGBIYXNNZ-HNNXBMFYSA-N -1 1 353.447 3.619 20 30 FHEDMM CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)n1 ZINC000188549761 940072002 /nfs/dbraw/zinc/07/20/02/940072002.db2.gz OJFYCXYKDVSBKT-OAHLLOKOSA-N -1 1 355.463 3.864 20 30 FHEDMM CCOc1cccc2cc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)oc21 ZINC000189909802 941299260 /nfs/dbraw/zinc/29/92/60/941299260.db2.gz FFKFUWKCQWUBAO-GFCCVEGCSA-N -1 1 350.374 3.900 20 30 FHEDMM Cc1nc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(Cl)cc1Cl ZINC000589587617 941307040 /nfs/dbraw/zinc/30/70/40/941307040.db2.gz JYAMABUKNGXEHI-UHFFFAOYSA-N -1 1 356.234 3.564 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000179028236 941331411 /nfs/dbraw/zinc/33/14/11/941331411.db2.gz IFKFUDNYDYLENA-UHFFFAOYSA-N -1 1 365.336 3.558 20 30 FHEDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[nH]n1 ZINC000183089234 942098410 /nfs/dbraw/zinc/09/84/10/942098410.db2.gz KPZAAZVHUVSJRG-JTQLQIEISA-N -1 1 352.847 3.639 20 30 FHEDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000421153272 942375195 /nfs/dbraw/zinc/37/51/95/942375195.db2.gz LTPCOXRLWHHFBA-LSDHHAIUSA-N -1 1 370.540 3.741 20 30 FHEDMM CCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OC(F)F ZINC000435340418 943342251 /nfs/dbraw/zinc/34/22/51/943342251.db2.gz HSOYEPBQEQYKNZ-YFHOEESVSA-N -1 1 361.348 3.511 20 30 FHEDMM CCCc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)s3)[nH]n2)cc1 ZINC000435484706 943441318 /nfs/dbraw/zinc/44/13/18/943441318.db2.gz QQVHFCZIPUKESL-UHFFFAOYSA-N -1 1 372.475 3.763 20 30 FHEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2cccc([O-])c2Cl)n1 ZINC000436521778 944390490 /nfs/dbraw/zinc/39/04/90/944390490.db2.gz OSJUJMFYNFRVBK-UHFFFAOYSA-N -1 1 359.216 3.790 20 30 FHEDMM C=CCC1(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)CCOCC1 ZINC000516175467 944560625 /nfs/dbraw/zinc/56/06/25/944560625.db2.gz ATSBWZPKKQISJW-UHFFFAOYSA-N -1 1 351.859 3.525 20 30 FHEDMM Cc1ccc(CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C(C)C)cc1 ZINC000737328858 945038309 /nfs/dbraw/zinc/03/83/09/945038309.db2.gz GMDXARYHPHFXRX-UHFFFAOYSA-N -1 1 367.457 3.953 20 30 FHEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1sc2ccccc2c1Cl ZINC000125137814 945649423 /nfs/dbraw/zinc/64/94/23/945649423.db2.gz PNDZTEMGHCIZOX-LLVKDONJSA-N -1 1 355.806 3.911 20 30 FHEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)CSc2c(Cl)cccc21 ZINC000823503548 946439235 /nfs/dbraw/zinc/43/92/35/946439235.db2.gz GUSXRVMEWKKPHZ-VURMDHGXSA-N -1 1 360.851 3.954 20 30 FHEDMM C=C[C@@H](CC)CC(=O)Nc1ccc(Oc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC001573315385 947252177 /nfs/dbraw/zinc/25/21/77/947252177.db2.gz MFXDPPUEFMHWPJ-ZDUSSCGKSA-N -1 1 364.409 3.595 20 30 FHEDMM C=C[C@@H](CC)CC(=O)Nc1ccc(Oc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC001573315385 947252189 /nfs/dbraw/zinc/25/21/89/947252189.db2.gz MFXDPPUEFMHWPJ-ZDUSSCGKSA-N -1 1 364.409 3.595 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(F)c(SC)c2)n1 ZINC000500442972 947938906 /nfs/dbraw/zinc/93/89/06/947938906.db2.gz RLRGLHXBIPUVFY-SNVBAGLBSA-N -1 1 364.423 3.671 20 30 FHEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc2cccnc21 ZINC000427625229 948647831 /nfs/dbraw/zinc/64/78/31/948647831.db2.gz XWIWPOTYHCQTBW-UHFFFAOYSA-N -1 1 373.821 3.569 20 30 FHEDMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(F)cc(C#N)c1 ZINC000481596553 568061462 /nfs/dbraw/zinc/06/14/62/568061462.db2.gz KKNAJDOJLVITRJ-UHFFFAOYSA-N -1 1 364.380 3.709 20 30 FHEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000603394991 568095366 /nfs/dbraw/zinc/09/53/66/568095366.db2.gz FMUCTXPZPLMGRS-GOEBONIOSA-N -1 1 371.462 3.600 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2Cc2ccccc2)o1 ZINC000735938870 599285225 /nfs/dbraw/zinc/28/52/25/599285225.db2.gz FURXQXPKUDGLEQ-AWEZNQCLSA-N -1 1 365.441 3.789 20 30 FHEDMM CCCC(Cc1ccccc1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736426609 598437393 /nfs/dbraw/zinc/43/73/93/598437393.db2.gz RFOQQIMQAMEJSQ-UHFFFAOYSA-N -1 1 353.430 3.789 20 30 FHEDMM N#Cc1ccc([C@H](NCc2ccc(Oc3ccccc3)nc2)C(=O)[O-])cc1 ZINC000739108604 600597266 /nfs/dbraw/zinc/59/72/66/600597266.db2.gz VRGOMXYYSUIFEY-FQEVSTJZSA-N -1 1 359.385 3.661 20 30 FHEDMM C=CCN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1cccc(C#N)c1 ZINC000825681555 600820829 /nfs/dbraw/zinc/82/08/29/600820829.db2.gz BIXPXUROTZBUPY-UHFFFAOYSA-N -1 1 370.836 3.977 20 30 FHEDMM CN(Cc1ccccc1OC(F)(F)F)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830860275 601310341 /nfs/dbraw/zinc/31/03/41/601310341.db2.gz QGIHCNNFKJPLQM-INIZCTEOSA-N -1 1 364.323 3.715 20 30 FHEDMM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000763372146 604669158 /nfs/dbraw/zinc/66/91/58/604669158.db2.gz VFSLOFKNOUHYES-UHFFFAOYSA-N -1 1 356.401 3.745 20 30 FHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc([S@@](C)=O)cc1 ZINC000833386841 605155809 /nfs/dbraw/zinc/15/58/09/605155809.db2.gz YMSSGZTWHIHPRD-HSZRJFAPSA-N -1 1 350.827 3.612 20 30 FHEDMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(C#N)cc1Br)c1ccccc1 ZINC000833406094 605363014 /nfs/dbraw/zinc/36/30/14/605363014.db2.gz AIFMFPJUUSJZCZ-PXAZEXFGSA-N -1 1 373.250 3.872 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(-c2ccncc2)c1 ZINC000822923796 606392628 /nfs/dbraw/zinc/39/26/28/606392628.db2.gz UPSNIEXWBKJQHT-XQRVVYSFSA-N -1 1 359.414 3.886 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H](C)CCc2ccccc2)o1 ZINC000820219948 606433314 /nfs/dbraw/zinc/43/33/14/606433314.db2.gz MCNQBVRRLVOERL-ZDUSSCGKSA-N -1 1 353.430 3.645 20 30 FHEDMM N#Cc1ccc(-c2ccc(OC(=O)c3ccc(-c4nnn[n-]4)s3)cc2)cc1 ZINC000822823597 606487644 /nfs/dbraw/zinc/48/76/44/606487644.db2.gz TYUZJHIBVQVTQQ-UHFFFAOYSA-N -1 1 373.397 3.686 20 30 FHEDMM N#Cc1ccc(-c2ccc(OC(=O)c3ccc(-c4nn[n-]n4)s3)cc2)cc1 ZINC000822823597 606487645 /nfs/dbraw/zinc/48/76/45/606487645.db2.gz TYUZJHIBVQVTQQ-UHFFFAOYSA-N -1 1 373.397 3.686 20 30 FHEDMM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC(C)C ZINC000826215502 608092590 /nfs/dbraw/zinc/09/25/90/608092590.db2.gz QGHLCXBMCCUKGE-BQYQJAHWSA-N -1 1 370.434 3.620 20 30 FHEDMM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1OC(C)C ZINC000826215502 608092591 /nfs/dbraw/zinc/09/25/91/608092591.db2.gz QGHLCXBMCCUKGE-BQYQJAHWSA-N -1 1 370.434 3.620 20 30 FHEDMM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400952 608092822 /nfs/dbraw/zinc/09/28/22/608092822.db2.gz LVRHSCVWLZBDQP-SREVYHEPSA-N -1 1 359.414 3.886 20 30 FHEDMM O=C(C=Cc1cccc(-c2cccnc2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400952 608092823 /nfs/dbraw/zinc/09/28/23/608092823.db2.gz LVRHSCVWLZBDQP-SREVYHEPSA-N -1 1 359.414 3.886 20 30 FHEDMM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401420 608094224 /nfs/dbraw/zinc/09/42/24/608094224.db2.gz XYPBVFBSQAAVBJ-PLNGDYQASA-N -1 1 361.224 3.587 20 30 FHEDMM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401420 608094225 /nfs/dbraw/zinc/09/42/25/608094225.db2.gz XYPBVFBSQAAVBJ-PLNGDYQASA-N -1 1 361.224 3.587 20 30 FHEDMM CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958829 608094833 /nfs/dbraw/zinc/09/48/33/608094833.db2.gz YGZDXZCRGIQWDE-UHFFFAOYSA-N -1 1 368.344 3.663 20 30 FHEDMM COc1sc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1Br ZINC000255028416 929331578 /nfs/dbraw/zinc/33/15/78/929331578.db2.gz GRPSRTZIZGISLC-HYXAFXHYSA-N -1 1 355.209 3.827 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(F)c1 ZINC000319143958 930183064 /nfs/dbraw/zinc/18/30/64/930183064.db2.gz FTSQTALIEUZRTC-UHFFFAOYSA-N -1 1 363.172 3.944 20 30 FHEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)n1 ZINC000126785500 932548276 /nfs/dbraw/zinc/54/82/76/932548276.db2.gz XSBVKDNGKKSQIF-UHFFFAOYSA-N -1 1 373.821 3.976 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)c1 ZINC000126820361 932589084 /nfs/dbraw/zinc/58/90/84/932589084.db2.gz MUUXQDNKHXFEOU-UHFFFAOYSA-N -1 1 371.643 3.775 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000431187121 934085054 /nfs/dbraw/zinc/08/50/54/934085054.db2.gz MQUHQAWSQLYYKO-UHFFFAOYSA-N -1 1 354.435 3.598 20 30 FHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000427109650 945095379 /nfs/dbraw/zinc/09/53/79/945095379.db2.gz IFJWXDLCONYYJC-UHFFFAOYSA-N -1 1 368.817 3.939 20 30 FHEDMM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C)c1 ZINC000427113754 945100052 /nfs/dbraw/zinc/10/00/52/945100052.db2.gz LFGNFMSBYOCCGB-UHFFFAOYSA-N -1 1 362.426 3.986 20 30 FHEDMM COC(=O)c1ccc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)o1 ZINC000158451765 935813907 /nfs/dbraw/zinc/81/39/07/935813907.db2.gz ADODTSXHOBPVKU-UHFFFAOYSA-N -1 1 352.371 3.919 20 30 FHEDMM C=CCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000135655373 936076585 /nfs/dbraw/zinc/07/65/85/936076585.db2.gz FNTAMHRHWGIXQX-UHFFFAOYSA-N -1 1 358.463 3.526 20 30 FHEDMM N#Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)cc1[O-] ZINC000187857169 936238204 /nfs/dbraw/zinc/23/82/04/936238204.db2.gz IDKLBKAQSXCXOD-UHFFFAOYSA-N -1 1 357.413 3.544 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1F ZINC000427219348 945191930 /nfs/dbraw/zinc/19/19/30/945191930.db2.gz YOMXGSNDHUDTEO-UHFFFAOYSA-N -1 1 369.377 3.685 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1F ZINC000427241095 945217156 /nfs/dbraw/zinc/21/71/56/945217156.db2.gz ALSSWKZUOVNSFB-UHFFFAOYSA-N -1 1 372.343 3.993 20 30 FHEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1nc(C2CC2)cs1 ZINC000647372799 939066089 /nfs/dbraw/zinc/06/60/89/939066089.db2.gz VECJUEPWMUMOSW-LLVKDONJSA-N -1 1 355.444 3.555 20 30 FHEDMM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188247144 939093876 /nfs/dbraw/zinc/09/38/76/939093876.db2.gz CUSITOMAQZGIDI-UHFFFAOYSA-N -1 1 357.413 3.810 20 30 FHEDMM COc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1OC1CCCC1 ZINC000188254773 939113758 /nfs/dbraw/zinc/11/37/58/939113758.db2.gz LCHJDOJLXIKFMT-UHFFFAOYSA-N -1 1 366.417 3.524 20 30 FHEDMM C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188386729 939222754 /nfs/dbraw/zinc/22/27/54/939222754.db2.gz BYNJANDNMZUTQU-KPZWWZAWSA-N -1 1 356.809 3.519 20 30 FHEDMM C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188386708 939222762 /nfs/dbraw/zinc/22/27/62/939222762.db2.gz BYNJANDNMZUTQU-KZULUSFZSA-N -1 1 356.809 3.519 20 30 FHEDMM Cc1ccc(CCN(CC(F)(F)F)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188577087 940105720 /nfs/dbraw/zinc/10/57/20/940105720.db2.gz UNLJDGLXUXNZSX-UHFFFAOYSA-N -1 1 362.351 3.820 20 30 FHEDMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000580017693 940432214 /nfs/dbraw/zinc/43/22/14/940432214.db2.gz XCQHWFNXTWLKTO-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc(C#N)c([O-])c2)n1 ZINC000188623099 940432277 /nfs/dbraw/zinc/43/22/77/940432277.db2.gz FSKWMCXAVCGTML-UHFFFAOYSA-N -1 1 372.428 3.513 20 30 FHEDMM Cc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)[nH]1 ZINC000613289862 940504365 /nfs/dbraw/zinc/50/43/65/940504365.db2.gz NQHJPOAITLKUMS-CYBMUJFWSA-N -1 1 366.446 3.711 20 30 FHEDMM N#C[C@H](C(=O)c1ccc(F)s1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000659012145 941007024 /nfs/dbraw/zinc/00/70/24/941007024.db2.gz QALMEPJWTFUIET-SECBINFHSA-N -1 1 373.434 3.966 20 30 FHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000589439084 941281006 /nfs/dbraw/zinc/28/10/06/941281006.db2.gz LJOJAFGJRNLUIN-UHFFFAOYSA-N -1 1 351.399 3.590 20 30 FHEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(Br)c1 ZINC000313902339 941653672 /nfs/dbraw/zinc/65/36/72/941653672.db2.gz YHWCDAGIHJYROY-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM N#Cc1ccc(N2CC[C@H](c3nc(-c4ccc([O-])c(F)c4)no3)C2)c(F)c1 ZINC000377459588 941739912 /nfs/dbraw/zinc/73/99/12/941739912.db2.gz JWARGNMCDJEGTJ-ZDUSSCGKSA-N -1 1 368.343 3.586 20 30 FHEDMM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000425225670 943016978 /nfs/dbraw/zinc/01/69/78/943016978.db2.gz DLAKZZRWSYWFDW-KRWDZBQOSA-N -1 1 364.417 3.987 20 30 FHEDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2O1 ZINC000435731485 943574537 /nfs/dbraw/zinc/57/45/37/943574537.db2.gz JZIXNTWFYVPPRX-SFHVURJKSA-N -1 1 358.419 3.565 20 30 FHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000518492197 944424244 /nfs/dbraw/zinc/42/42/44/944424244.db2.gz XPYANMYZYWMZBC-CQSZACIVSA-N -1 1 359.447 3.766 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1F ZINC000516123957 944506132 /nfs/dbraw/zinc/50/61/32/944506132.db2.gz WQYWOGSMHYUZKD-UHFFFAOYSA-N -1 1 359.209 3.946 20 30 FHEDMM COC(=O)c1ccc([O-])c(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 ZINC000436723580 944563248 /nfs/dbraw/zinc/56/32/48/944563248.db2.gz LTRAMKBHDBONOC-UHFFFAOYSA-N -1 1 366.398 3.826 20 30 FHEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000518643472 944569515 /nfs/dbraw/zinc/56/95/15/944569515.db2.gz HLGDJNCBAMZWBR-UHFFFAOYSA-N -1 1 362.476 3.892 20 30 FHEDMM C=CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1[O-] ZINC000436748988 944587630 /nfs/dbraw/zinc/58/76/30/944587630.db2.gz XHSAIVVGKJQOBB-UHFFFAOYSA-N -1 1 365.216 3.867 20 30 FHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000439610197 944809170 /nfs/dbraw/zinc/80/91/70/944809170.db2.gz AFNUQVNTVVQUHH-UHFFFAOYSA-N -1 1 351.431 3.944 20 30 FHEDMM CCO[C@@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C12CCCCC2 ZINC000736619781 944857037 /nfs/dbraw/zinc/85/70/37/944857037.db2.gz ZOBCHYPYRFHWBU-CYBMUJFWSA-N -1 1 373.461 3.505 20 30 FHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000511682992 944915274 /nfs/dbraw/zinc/91/52/74/944915274.db2.gz RKFVAZUGGSUEGZ-UHFFFAOYSA-N -1 1 358.394 3.740 20 30 FHEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2n1 ZINC000438766558 945006711 /nfs/dbraw/zinc/00/67/11/945006711.db2.gz SESRBLZNMYZXLH-UHFFFAOYSA-N -1 1 374.853 3.943 20 30 FHEDMM C=CCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000469459539 945021146 /nfs/dbraw/zinc/02/11/46/945021146.db2.gz UHPFESBFNIVCDH-UHFFFAOYSA-N -1 1 372.490 3.752 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H](c3ccccc3)[C@@H]2C)o1 ZINC000820197754 945373066 /nfs/dbraw/zinc/37/30/66/945373066.db2.gz NLSKTGYQRISKNU-AAEUAGOBSA-N -1 1 351.414 3.570 20 30 FHEDMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824663364 946890230 /nfs/dbraw/zinc/89/02/30/946890230.db2.gz YKMGMTGXRDQCHQ-AWEZNQCLSA-N -1 1 367.416 3.973 20 30 FHEDMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824663364 946890246 /nfs/dbraw/zinc/89/02/46/946890246.db2.gz YKMGMTGXRDQCHQ-AWEZNQCLSA-N -1 1 367.416 3.973 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c(F)c1 ZINC000523571530 947379334 /nfs/dbraw/zinc/37/93/34/947379334.db2.gz XXCRVAOTDDBAQL-AWEZNQCLSA-N -1 1 372.343 3.669 20 30 FHEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000544709839 948710497 /nfs/dbraw/zinc/71/04/97/948710497.db2.gz KEUBRWVIMLYVAZ-SSDOTTSWSA-N -1 1 358.710 3.797 20 30 FHEDMM C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000028492173 210164346 /nfs/dbraw/zinc/16/43/46/210164346.db2.gz SOBYBVWLMUPFMQ-UHFFFAOYSA-N -1 1 370.474 3.610 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(CC(C)(C)C)c2ccc(F)cc2)o1 ZINC000737467173 598978117 /nfs/dbraw/zinc/97/81/17/598978117.db2.gz MPCBZUJDDASHPO-UHFFFAOYSA-N -1 1 357.393 3.555 20 30 FHEDMM Cc1ccc(C2CC(N=Nc3oc(CC(C)C)nc3-c3nn[n-]n3)C2)cc1 ZINC000737331641 598296398 /nfs/dbraw/zinc/29/63/98/598296398.db2.gz QIUQVHUGVGTWGG-UHFFFAOYSA-N -1 1 365.441 3.707 20 30 FHEDMM C=C(C)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735402352 598411483 /nfs/dbraw/zinc/41/14/83/598411483.db2.gz RVZBMDMLLJGDCY-UHFFFAOYSA-N -1 1 354.341 3.531 20 30 FHEDMM C=C(C)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735402352 598411484 /nfs/dbraw/zinc/41/14/84/598411484.db2.gz RVZBMDMLLJGDCY-UHFFFAOYSA-N -1 1 354.341 3.531 20 30 FHEDMM Cc1cccc(CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C2CC2)c1 ZINC000737392552 599458551 /nfs/dbraw/zinc/45/85/51/599458551.db2.gz YDIHKFYMUMDTPQ-UHFFFAOYSA-N -1 1 365.441 3.707 20 30 FHEDMM N#Cc1ccc([C@@H](Sc2nc(CCC3CCCC3)n[nH]2)C(=O)[O-])cc1 ZINC000739117980 600937954 /nfs/dbraw/zinc/93/79/54/600937954.db2.gz NWBPVPTWYYSIDF-MRXNPFEDSA-N -1 1 356.451 3.717 20 30 FHEDMM N#Cc1ccc([C@@H](Sc2n[nH]c(CCC3CCCC3)n2)C(=O)[O-])cc1 ZINC000739117980 600937956 /nfs/dbraw/zinc/93/79/56/600937956.db2.gz NWBPVPTWYYSIDF-MRXNPFEDSA-N -1 1 356.451 3.717 20 30 FHEDMM N#Cc1cccc([C@H](NCc2cc(Cl)ccc2OC(F)F)C(=O)[O-])c1 ZINC000833076652 601307801 /nfs/dbraw/zinc/30/78/01/601307801.db2.gz XRNLVVNJMZMXRB-HNNXBMFYSA-N -1 1 366.751 3.729 20 30 FHEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3ccc(F)c(NC(=O)[O-])c3)[nH]c21 ZINC000740175961 603074230 /nfs/dbraw/zinc/07/42/30/603074230.db2.gz WHIRSPHXAUTJCL-NSHDSACASA-N -1 1 352.325 3.590 20 30 FHEDMM CCc1csc([C@@H]2CCCN(Cc3cccc(C(=O)[O-])c3C#N)C2)n1 ZINC000833676424 604607381 /nfs/dbraw/zinc/60/73/81/604607381.db2.gz LCRCGPCGOFRBTQ-CQSZACIVSA-N -1 1 355.463 3.655 20 30 FHEDMM Cc1c(C(C)N=Nc2ccccc2C(=O)[O-])cnn1-c1ccc(C#N)cc1 ZINC000741812529 605097996 /nfs/dbraw/zinc/09/79/96/605097996.db2.gz XGEDDLPHBWRWSG-UHFFFAOYSA-N -1 1 359.389 3.587 20 30 FHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000833386629 605159047 /nfs/dbraw/zinc/15/90/47/605159047.db2.gz NGCUEFGIJBAGAC-UHFFFAOYSA-N -1 1 373.796 3.831 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(Br)c1 ZINC000822924232 606388306 /nfs/dbraw/zinc/38/83/06/606388306.db2.gz ZISSJVJXHMGMCS-GQCTYLIASA-N -1 1 361.224 3.587 20 30 FHEDMM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403624 608093248 /nfs/dbraw/zinc/09/32/48/608093248.db2.gz XJGTYYHXNGDQOP-OWOJBTEDSA-N -1 1 367.253 3.648 20 30 FHEDMM O=C(C=Cc1csc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403624 608093249 /nfs/dbraw/zinc/09/32/49/608093249.db2.gz XJGTYYHXNGDQOP-OWOJBTEDSA-N -1 1 367.253 3.648 20 30 FHEDMM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400749 608093970 /nfs/dbraw/zinc/09/39/70/608093970.db2.gz HJASWASXDIYTIU-SNAWJCMRSA-N -1 1 366.324 3.723 20 30 FHEDMM O=C(C=Cc1cccc(OC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400749 608093971 /nfs/dbraw/zinc/09/39/71/608093971.db2.gz HJASWASXDIYTIU-SNAWJCMRSA-N -1 1 366.324 3.723 20 30 FHEDMM N#Cc1cccc(COc2ccc(NCc3ccc(-c4nnn[n-]4)o3)cc2)c1 ZINC000826386906 609487250 /nfs/dbraw/zinc/48/72/50/609487250.db2.gz XXZHUIJPYDSITN-UHFFFAOYSA-N -1 1 372.388 3.522 20 30 FHEDMM N#Cc1cccc(COc2ccc(NCc3ccc(-c4nn[n-]n4)o3)cc2)c1 ZINC000826386906 609487251 /nfs/dbraw/zinc/48/72/51/609487251.db2.gz XXZHUIJPYDSITN-UHFFFAOYSA-N -1 1 372.388 3.522 20 30 FHEDMM CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000187890786 936381648 /nfs/dbraw/zinc/38/16/48/936381648.db2.gz VLNHSKHJKHWFHV-UHFFFAOYSA-N -1 1 361.401 3.624 20 30 FHEDMM CC(C)C[N@@H+](CCC#N)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728198677 928062116 /nfs/dbraw/zinc/06/21/16/928062116.db2.gz PYDJJENSOJXUHF-UHFFFAOYSA-N -1 1 352.434 3.700 20 30 FHEDMM CC(C)C[N@H+](CCC#N)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728198677 928062131 /nfs/dbraw/zinc/06/21/31/928062131.db2.gz PYDJJENSOJXUHF-UHFFFAOYSA-N -1 1 352.434 3.700 20 30 FHEDMM CC(C)C[N@@H+](CCC#N)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728198677 928062144 /nfs/dbraw/zinc/06/21/44/928062144.db2.gz PYDJJENSOJXUHF-UHFFFAOYSA-N -1 1 352.434 3.700 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1Br ZINC000394445367 928159239 /nfs/dbraw/zinc/15/92/39/928159239.db2.gz GRWBBKPETDLSCC-UHFFFAOYSA-N -1 1 371.643 3.775 20 30 FHEDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc(Cl)c(C#N)c3)[nH][n-]2)c1 ZINC000547750119 929298877 /nfs/dbraw/zinc/29/88/77/929298877.db2.gz LUUFPCUBWUCSJC-UHFFFAOYSA-N -1 1 354.772 3.724 20 30 FHEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000121417829 932365957 /nfs/dbraw/zinc/36/59/57/932365957.db2.gz MPWGWTCWDUOUJI-UHFFFAOYSA-N -1 1 372.287 3.689 20 30 FHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-c3ncon3)cc2)s1 ZINC000430625180 932383922 /nfs/dbraw/zinc/38/39/22/932383922.db2.gz PVLHMEVKVFOVBK-CYBMUJFWSA-N -1 1 352.419 3.981 20 30 FHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(N)=O)cc3)n2)cc1 ZINC000051150911 932451524 /nfs/dbraw/zinc/45/15/24/932451524.db2.gz RLMGVPATVJWAPP-INIZCTEOSA-N -1 1 361.426 3.708 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000431188662 934110015 /nfs/dbraw/zinc/11/00/15/934110015.db2.gz XJNLXFGNGWKLIN-JTQLQIEISA-N -1 1 362.838 3.644 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cn1 ZINC000506718247 945090801 /nfs/dbraw/zinc/09/08/01/945090801.db2.gz HYRWSSVLZHJMQN-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc(C(F)(F)F)c2)c(=O)o1 ZINC000588534812 935881301 /nfs/dbraw/zinc/88/13/01/935881301.db2.gz KRGVJBFCDUKMEU-SFAKSCPVSA-N -1 1 358.699 3.587 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccc(F)c3)s2)c(=O)o1 ZINC000255522347 935955292 /nfs/dbraw/zinc/95/52/92/935955292.db2.gz TXVYRKBXXFFKKS-LZCIBIBXSA-N -1 1 356.374 3.782 20 30 FHEDMM N#CC(=C([O-])c1ccn(-c2ccccc2Cl)n1)c1nc2ccccc2[nH]1 ZINC000051897176 936104476 /nfs/dbraw/zinc/10/44/76/936104476.db2.gz UPUBOLRKOAAZNR-LBPRGKRZSA-N -1 1 361.792 3.892 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000322838776 945157741 /nfs/dbraw/zinc/15/77/41/945157741.db2.gz LTUXGVYPUDAGRI-UHFFFAOYSA-N -1 1 372.189 3.574 20 30 FHEDMM CC(C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)=C1CCCC1 ZINC000161898178 938433369 /nfs/dbraw/zinc/43/33/69/938433369.db2.gz GYQZEMMWSULXIM-CQSZACIVSA-N -1 1 367.474 3.930 20 30 FHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Br)cc1F ZINC000584025550 938555074 /nfs/dbraw/zinc/55/50/74/938555074.db2.gz NHDDADXMTCXURS-VIFPVBQESA-N -1 1 363.186 3.656 20 30 FHEDMM N#C[C@H](C(=O)C=Cc1ccco1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000255768924 939193613 /nfs/dbraw/zinc/19/36/13/939193613.db2.gz HTOVQRKUCMJVBZ-MEJMFZKBSA-N -1 1 365.414 3.758 20 30 FHEDMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427275588 945244856 /nfs/dbraw/zinc/24/48/56/945244856.db2.gz PTCPGJWQERUAAA-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cccc1-c1ncco1 ZINC000427292440 945256494 /nfs/dbraw/zinc/25/64/94/945256494.db2.gz QFKHKBQVMRYJHO-UHFFFAOYSA-N -1 1 353.403 3.517 20 30 FHEDMM C#CCCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000179752848 939931299 /nfs/dbraw/zinc/93/12/99/939931299.db2.gz LFIRSPBUCNBDCB-UHFFFAOYSA-N -1 1 356.447 3.620 20 30 FHEDMM N#CC(=C([O-])c1ccc2c(c1)SCC(=O)N2)c1nc2ccccc2s1 ZINC000685782635 940130638 /nfs/dbraw/zinc/13/06/38/940130638.db2.gz ZULMDWLMICPXID-NSHDSACASA-N -1 1 365.439 3.831 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC[C@H](COc3ccccc3Cl)C2)cc1[O-] ZINC000189011555 941141346 /nfs/dbraw/zinc/14/13/46/941141346.db2.gz LKYRSLTVBSPORA-AWEZNQCLSA-N -1 1 370.836 3.848 20 30 FHEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153968781 941659260 /nfs/dbraw/zinc/65/92/60/941659260.db2.gz FABGDMJWIBPPBH-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM N#CC(=C([O-])c1cc(F)cc2nccnc21)c1ccc(C(F)(F)F)cn1 ZINC000614468294 941742322 /nfs/dbraw/zinc/74/23/22/941742322.db2.gz SDKOIZRTEAXFTA-LBPRGKRZSA-N -1 1 360.270 3.673 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000513394433 941889770 /nfs/dbraw/zinc/88/97/70/941889770.db2.gz HNXJGZFUGSQHEG-UHFFFAOYSA-N -1 1 356.447 3.989 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(OC2CCCC2)c1 ZINC000513396421 941891503 /nfs/dbraw/zinc/89/15/03/941891503.db2.gz PXIWAGXUDNOJBJ-UHFFFAOYSA-N -1 1 356.447 3.989 20 30 FHEDMM Cc1cc(Br)c([O-])c(NC(=O)CCc2ccc(C#N)cc2)c1 ZINC000182935736 942026341 /nfs/dbraw/zinc/02/63/41/942026341.db2.gz HPRCDIAJVDHISG-UHFFFAOYSA-N -1 1 359.223 3.906 20 30 FHEDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000421144975 942373075 /nfs/dbraw/zinc/37/30/75/942373075.db2.gz CKNRLROTMPUSIK-CABCVRRESA-N -1 1 370.540 3.884 20 30 FHEDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000421153270 942375169 /nfs/dbraw/zinc/37/51/69/942375169.db2.gz LTPCOXRLWHHFBA-GJZGRUSLSA-N -1 1 370.540 3.741 20 30 FHEDMM Cc1cc(Br)ccc1CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000434344552 942607660 /nfs/dbraw/zinc/60/76/60/942607660.db2.gz MYIWFQBEMLQBCU-UHFFFAOYSA-N -1 1 359.223 3.607 20 30 FHEDMM Cc1cnc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)c([O-])c1 ZINC000425082626 942686688 /nfs/dbraw/zinc/68/66/88/942686688.db2.gz GGPKCGJGNNRVBA-GFCCVEGCSA-N -1 1 363.339 3.669 20 30 FHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC000416933665 943241684 /nfs/dbraw/zinc/24/16/84/943241684.db2.gz BHSPZOPEFMRPNA-ZTFGCOKTSA-N -1 1 350.484 3.826 20 30 FHEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)[nH]n1 ZINC000504032770 943475991 /nfs/dbraw/zinc/47/59/91/943475991.db2.gz JBZBEESGNVPZAY-UHFFFAOYSA-N -1 1 372.837 3.711 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)ccc1C#N ZINC000435718538 943578615 /nfs/dbraw/zinc/57/86/15/943578615.db2.gz FGFNPWSKWMIODT-UHFFFAOYSA-N -1 1 369.368 3.642 20 30 FHEDMM CC(C)[C@@H]1C[C@](NCc2ccc(C#N)cc2F)(C(=O)[O-])c2ccccc21 ZINC000417576854 943734514 /nfs/dbraw/zinc/73/45/14/943734514.db2.gz IGZIOPHGSLZBDQ-LAUBAEHRSA-N -1 1 352.409 3.910 20 30 FHEDMM CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000150721612 943988964 /nfs/dbraw/zinc/98/89/64/943988964.db2.gz DMFGSRFBONWPGJ-UHFFFAOYSA-N -1 1 370.384 3.996 20 30 FHEDMM N#Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)ccc1Cl ZINC000515751216 944178878 /nfs/dbraw/zinc/17/88/78/944178878.db2.gz CIFYGCRTUKPRIA-CQSZACIVSA-N -1 1 374.771 3.794 20 30 FHEDMM Cc1cc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc(C)c1F ZINC000735451057 944661322 /nfs/dbraw/zinc/66/13/22/944661322.db2.gz NRXKAZOXKMLDRN-UHFFFAOYSA-N -1 1 371.420 3.744 20 30 FHEDMM N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000436875586 944744278 /nfs/dbraw/zinc/74/42/78/944744278.db2.gz YLOQXVLRAFNUSD-ZDUSSCGKSA-N -1 1 350.765 3.817 20 30 FHEDMM COc1cc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)ccc1OCC(C)C ZINC000190437002 945517684 /nfs/dbraw/zinc/51/76/84/945517684.db2.gz LVJZRVOEZUDHJH-CQSZACIVSA-N -1 1 368.433 3.798 20 30 FHEDMM C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)OCC ZINC000444376083 946400264 /nfs/dbraw/zinc/40/02/64/946400264.db2.gz RMOFKCLIPLBXMG-IBGZPJMESA-N -1 1 374.481 3.765 20 30 FHEDMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc2O1 ZINC000121421849 946685660 /nfs/dbraw/zinc/68/56/60/946685660.db2.gz UFQQVVUDCFHUAF-UHFFFAOYSA-N -1 1 364.810 3.520 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c(F)c1 ZINC000523571534 947379628 /nfs/dbraw/zinc/37/96/28/947379628.db2.gz XXCRVAOTDDBAQL-CQSZACIVSA-N -1 1 372.343 3.669 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)CCc2ccccc2F)o1 ZINC000735992693 598925786 /nfs/dbraw/zinc/92/57/86/598925786.db2.gz LCIPHMXPESVPDA-UHFFFAOYSA-N -1 1 371.420 3.613 20 30 FHEDMM Cc1cc(C)cc(C(C)N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1 ZINC000735451384 598417714 /nfs/dbraw/zinc/41/77/14/598417714.db2.gz ZCQWQKHCXAMQCR-UHFFFAOYSA-N -1 1 353.430 3.506 20 30 FHEDMM Cc1nn(-c2ccccc2)c(CSc2ccccc2C#N)c1-c1nn[n-]n1 ZINC000822487021 599350996 /nfs/dbraw/zinc/35/09/96/599350996.db2.gz YBRFYWTUBDYGDR-UHFFFAOYSA-N -1 1 373.445 3.525 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(CC2CC2)c2ccccc2)o1 ZINC000735851398 599366759 /nfs/dbraw/zinc/36/67/59/599366759.db2.gz SOSSNVAZHWFPQL-UHFFFAOYSA-N -1 1 365.441 3.670 20 30 FHEDMM N#Cc1ccccc1COc1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000739147615 600525327 /nfs/dbraw/zinc/52/53/27/600525327.db2.gz XJNXPTPVDVYLMX-UHFFFAOYSA-N -1 1 362.385 3.718 20 30 FHEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1Br ZINC000736662903 600590144 /nfs/dbraw/zinc/59/01/44/600590144.db2.gz UQDZZBIPAGLWEM-BZNIZROVSA-N -1 1 359.223 3.797 20 30 FHEDMM C[C@@H](CN(Cc1ccccc1)Cn1ccc(-c2ccc(C#N)cc2)n1)C(=O)[O-] ZINC000736584137 601088814 /nfs/dbraw/zinc/08/88/14/601088814.db2.gz PUJOWHBNOMACBA-KRWDZBQOSA-N -1 1 374.444 3.602 20 30 FHEDMM N#Cc1cccc([C@H](NCc2ccccc2OC2CCCC2)C(=O)[O-])c1 ZINC000833075531 601302427 /nfs/dbraw/zinc/30/24/27/601302427.db2.gz LJGKMYHNKFJSRX-FQEVSTJZSA-N -1 1 350.418 3.795 20 30 FHEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3ccc(F)c(NC(=O)[O-])c3)[nH]c21 ZINC000740175960 603074472 /nfs/dbraw/zinc/07/44/72/603074472.db2.gz WHIRSPHXAUTJCL-LLVKDONJSA-N -1 1 352.325 3.590 20 30 FHEDMM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc(-c2ccncc2)cs1 ZINC000833063582 604882151 /nfs/dbraw/zinc/88/21/51/604882151.db2.gz KATMOJUPTCMJKG-ZDUSSCGKSA-N -1 1 367.361 3.532 20 30 FHEDMM O=C([O-])N[C@H]1CC(=NNc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000834158016 605742015 /nfs/dbraw/zinc/74/20/15/605742015.db2.gz OFJXQZANNABUAB-LBPRGKRZSA-N -1 1 350.300 3.629 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccccc1C(F)(F)F ZINC000822929097 606388241 /nfs/dbraw/zinc/38/82/41/606388241.db2.gz POMBTHRNQMVUKT-ALCCZGGFSA-N -1 1 350.325 3.843 20 30 FHEDMM COc1cccc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)oc21 ZINC000821877773 606389483 /nfs/dbraw/zinc/38/94/83/606389483.db2.gz VCIUACHAUINHAH-ALCCZGGFSA-N -1 1 352.375 3.579 20 30 FHEDMM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)c(C)c2c1 ZINC000821853851 606390673 /nfs/dbraw/zinc/39/06/73/606390673.db2.gz BPJHHZYYZFYVNN-XQRVVYSFSA-N -1 1 366.402 3.888 20 30 FHEDMM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000825417800 608091786 /nfs/dbraw/zinc/09/17/86/608091786.db2.gz VEXMQNHFTAUUGO-VURMDHGXSA-N -1 1 371.441 3.810 20 30 FHEDMM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000825417800 608091787 /nfs/dbraw/zinc/09/17/87/608091787.db2.gz VEXMQNHFTAUUGO-VURMDHGXSA-N -1 1 371.441 3.810 20 30 FHEDMM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccccc1F ZINC000825028397 609410615 /nfs/dbraw/zinc/41/06/15/609410615.db2.gz HWELEUPCNDVVGM-UHFFFAOYSA-N -1 1 357.393 3.518 20 30 FHEDMM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255159941 930112701 /nfs/dbraw/zinc/11/27/01/930112701.db2.gz CEJDGAOEZMKGRL-KTKRTIGZSA-N -1 1 360.410 3.897 20 30 FHEDMM O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266075 930603299 /nfs/dbraw/zinc/60/32/99/930603299.db2.gz IVLZIFRCAOATGE-UHFFFAOYSA-N -1 1 354.210 3.553 20 30 FHEDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083536718 930611963 /nfs/dbraw/zinc/61/19/63/930611963.db2.gz CKKYAYXNRZXMIB-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM CN(C)C(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430646525 932545660 /nfs/dbraw/zinc/54/56/60/932545660.db2.gz WJNUXOXUGSCVTD-CQSZACIVSA-N -1 1 355.463 3.632 20 30 FHEDMM CCOC(=O)c1sc([N-]C(=O)c2ccc(F)c(F)c2F)c(C#N)c1C ZINC000610700929 933824980 /nfs/dbraw/zinc/82/49/80/933824980.db2.gz AAIIZDVRZPMTTJ-UHFFFAOYSA-N -1 1 368.336 3.775 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cc1[O-] ZINC000187669896 934155483 /nfs/dbraw/zinc/15/54/83/934155483.db2.gz VJJODOSXFFBZMM-MRXNPFEDSA-N -1 1 358.344 3.673 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1F ZINC000427104125 945085923 /nfs/dbraw/zinc/08/59/23/945085923.db2.gz MAVORLPDVKYCIQ-UHFFFAOYSA-N -1 1 359.407 3.622 20 30 FHEDMM N#Cc1ccc(SCC(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)cc1 ZINC000536043556 938270548 /nfs/dbraw/zinc/27/05/48/938270548.db2.gz KXQSZNQNXCICRY-UHFFFAOYSA-N -1 1 374.878 3.816 20 30 FHEDMM N#CC(=C([O-])c1ccc(OC2CCCC2)nc1)c1cnc2ccccc2n1 ZINC000583969721 938509498 /nfs/dbraw/zinc/50/94/98/938509498.db2.gz ZESIELGNGNXCMR-MRXNPFEDSA-N -1 1 358.401 3.836 20 30 FHEDMM N#Cc1cnc(C(=O)[N-]c2c(F)cc(Br)cc2F)c(Cl)c1 ZINC000431589224 938990509 /nfs/dbraw/zinc/99/05/09/938990509.db2.gz JSBNPFPIWZONAI-UHFFFAOYSA-N -1 1 372.556 3.900 20 30 FHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3oc(CC)nc3c2)c1 ZINC000543857351 938998659 /nfs/dbraw/zinc/99/86/59/938998659.db2.gz BFUKSZVQVRFZPK-UHFFFAOYSA-N -1 1 358.419 3.756 20 30 FHEDMM N#CC(=C([O-])c1ccc2c(c1)CCCC(=O)N2)c1nc(C2CC2)cs1 ZINC000647376895 939073511 /nfs/dbraw/zinc/07/35/11/939073511.db2.gz AQZPUDBBKSCZBP-CQSZACIVSA-N -1 1 351.431 3.785 20 30 FHEDMM COc1ccccc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188346054 939206631 /nfs/dbraw/zinc/20/66/31/939206631.db2.gz ONBUSLJCBKBQSR-NRFANRHFSA-N -1 1 358.397 3.792 20 30 FHEDMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n1 ZINC000427274551 945243986 /nfs/dbraw/zinc/24/39/86/945243986.db2.gz JEHCWUODQBVQLR-UHFFFAOYSA-N -1 1 371.393 3.770 20 30 FHEDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cccc1-c1ncco1 ZINC000427299207 945261866 /nfs/dbraw/zinc/26/18/66/945261866.db2.gz KJZPXBHBNZWNJP-UHFFFAOYSA-N -1 1 373.821 3.976 20 30 FHEDMM Cc1cc(C(C#N)=C([O-])C2=Cc3ccccc3O[C@H]2C(F)(F)F)nc(C)n1 ZINC000892475855 939915951 /nfs/dbraw/zinc/91/59/51/939915951.db2.gz OFMGYOSBRQUYSS-RDTXWAMCSA-N -1 1 373.334 3.677 20 30 FHEDMM Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC000188561898 940077476 /nfs/dbraw/zinc/07/74/76/940077476.db2.gz IOMWQVQZWQDCFL-HNNXBMFYSA-N -1 1 360.417 3.557 20 30 FHEDMM COc1cccc(C(F)(F)C(=O)[N-][C@H](C#N)c2ccc(Cl)cc2)c1 ZINC001267506310 940154661 /nfs/dbraw/zinc/15/46/61/940154661.db2.gz CHMVKYKCQIIQMY-OAHLLOKOSA-N -1 1 350.752 3.821 20 30 FHEDMM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc([O-])c(F)c3)s2)cc1 ZINC000613447052 940713409 /nfs/dbraw/zinc/71/34/09/940713409.db2.gz HVCVVBHPKMONLF-UHFFFAOYSA-N -1 1 353.378 3.703 20 30 FHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000188739191 941072519 /nfs/dbraw/zinc/07/25/19/941072519.db2.gz HSVFFIBMUQZXLV-GFCCVEGCSA-N -1 1 354.381 3.683 20 30 FHEDMM C=CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000472708097 941610599 /nfs/dbraw/zinc/61/05/99/941610599.db2.gz ICTJVIOTQKZAJN-UHFFFAOYSA-N -1 1 358.463 3.574 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000227869528 941789327 /nfs/dbraw/zinc/78/93/27/941789327.db2.gz FXGLCSBFKJAHLB-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1OC(F)F ZINC000513384090 941892077 /nfs/dbraw/zinc/89/20/77/941892077.db2.gz MROBHRUTAAIFBU-UHFFFAOYSA-N -1 1 352.362 3.577 20 30 FHEDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)o1 ZINC000066814831 942560557 /nfs/dbraw/zinc/56/05/57/942560557.db2.gz FEEHPYFQXOBXAD-UHFFFAOYSA-N -1 1 373.821 3.976 20 30 FHEDMM N#CC(=C([O-])c1ccnn1CC(F)F)c1nc2cc(Cl)ccc2s1 ZINC000434620837 942792509 /nfs/dbraw/zinc/79/25/09/942792509.db2.gz MEFNPDIEAGEQFH-SECBINFHSA-N -1 1 366.780 3.901 20 30 FHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1 ZINC000416940037 943237038 /nfs/dbraw/zinc/23/70/38/943237038.db2.gz OHHUVYOVFILLKR-ZDUSSCGKSA-N -1 1 353.494 3.647 20 30 FHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC000416933663 943241439 /nfs/dbraw/zinc/24/14/39/943241439.db2.gz BHSPZOPEFMRPNA-FHLIZLRMSA-N -1 1 350.484 3.826 20 30 FHEDMM CC(=Cc1cc(Cl)ccc1Br)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337929 943341114 /nfs/dbraw/zinc/34/11/14/943341114.db2.gz ZVTQVMHQOJCWKP-VMPITWQZSA-N -1 1 364.630 3.926 20 30 FHEDMM COc1cc(Cl)c(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1Cl ZINC000435340737 943341565 /nfs/dbraw/zinc/34/15/65/943341565.db2.gz MLOKRQHNLRTROP-YWEYNIOJSA-N -1 1 350.205 3.826 20 30 FHEDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)o1 ZINC000435728213 943571235 /nfs/dbraw/zinc/57/12/35/943571235.db2.gz JJYOBFPDTJASAD-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)ccc1C#N ZINC000435721507 943579625 /nfs/dbraw/zinc/57/96/25/943579625.db2.gz IOJAMPGNTSKZOM-UHFFFAOYSA-N -1 1 353.403 3.686 20 30 FHEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)n1 ZINC000435721415 943579837 /nfs/dbraw/zinc/57/98/37/943579837.db2.gz CLPUCNZCSJDNIV-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM CC(C)[C@@H]1C[C@@](NCc2ccc(C#N)cc2F)(C(=O)[O-])c2ccccc21 ZINC000417576856 943734639 /nfs/dbraw/zinc/73/46/39/943734639.db2.gz IGZIOPHGSLZBDQ-UWJYYQICSA-N -1 1 352.409 3.910 20 30 FHEDMM C=C[C@@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Br ZINC000417611970 943760285 /nfs/dbraw/zinc/76/02/85/943760285.db2.gz QNNNIAIDAOCVPG-NSHDSACASA-N -1 1 366.177 3.977 20 30 FHEDMM C=CCC1(C(=O)Nc2cc(C)cc(Br)c2[O-])CCOCC1 ZINC000424791331 944120994 /nfs/dbraw/zinc/12/09/94/944120994.db2.gz QCZJIRVPDQUXSC-UHFFFAOYSA-N -1 1 354.244 3.775 20 30 FHEDMM CC(C)c1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c([O-])c1 ZINC000436571261 944435252 /nfs/dbraw/zinc/43/52/52/944435252.db2.gz UYSBGKRQJMRSKW-UHFFFAOYSA-N -1 1 366.417 3.847 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000438758722 944996320 /nfs/dbraw/zinc/99/63/20/944996320.db2.gz PETBDKMIBFSPRC-UHFFFAOYSA-N -1 1 354.435 3.598 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000438764976 945016917 /nfs/dbraw/zinc/01/69/17/945016917.db2.gz QOTGNLMCWLWOSC-UHFFFAOYSA-N -1 1 361.492 3.903 20 30 FHEDMM N#CC1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCCCC1 ZINC000231727760 945446573 /nfs/dbraw/zinc/44/65/73/945446573.db2.gz XNFJTMZIZPJEDY-UHFFFAOYSA-N -1 1 351.230 3.637 20 30 FHEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ncoc1-c1ccon1 ZINC001126045226 945836976 /nfs/dbraw/zinc/83/69/76/945836976.db2.gz NNLHZLSKCMLCKM-LLVKDONJSA-N -1 1 354.391 3.976 20 30 FHEDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824663365 946890382 /nfs/dbraw/zinc/89/03/82/946890382.db2.gz YKMGMTGXRDQCHQ-CQSZACIVSA-N -1 1 367.416 3.973 20 30 FHEDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824663365 946890393 /nfs/dbraw/zinc/89/03/93/946890393.db2.gz YKMGMTGXRDQCHQ-CQSZACIVSA-N -1 1 367.416 3.973 20 30 FHEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC001211678948 946992327 /nfs/dbraw/zinc/99/23/27/946992327.db2.gz BUZWSXDOCLPPJI-MRVPVSSYSA-N -1 1 370.671 3.875 20 30 FHEDMM COc1cc(C(=O)N[C@]2(CO)C[C@@H](C)CC(C)(C)C2)cc(Cl)c1[O-] ZINC000331267847 947374128 /nfs/dbraw/zinc/37/41/28/947374128.db2.gz IXNNONARSHTYJR-BBATYDOGSA-N -1 1 355.862 3.936 20 30 FHEDMM Cc1cccnc1C(F)(F)C(=O)[N-]CC#Cc1cccc(C(F)(F)F)c1 ZINC000195328878 948716540 /nfs/dbraw/zinc/71/65/40/948716540.db2.gz RSBUYKRHQCLWQG-UHFFFAOYSA-N -1 1 368.305 3.669 20 30 FHEDMM O=C([O-])c1ccc(OCC/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000740165640 599886943 /nfs/dbraw/zinc/88/69/43/599886943.db2.gz OUNXSXSTWHHKFO-DJKKODMXSA-N -1 1 354.189 3.895 20 30 FHEDMM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1c(Cl)cccc1Cl ZINC000833015868 601955979 /nfs/dbraw/zinc/95/59/79/601955979.db2.gz NGWBNMVRUAQAED-UHFFFAOYSA-N -1 1 355.225 3.727 20 30 FHEDMM O=C1c2cc(Cl)ccc2OCCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823503024 606392787 /nfs/dbraw/zinc/39/27/87/606392787.db2.gz AHYDYMXZWSWXRS-VQHVLOKHSA-N -1 1 358.810 3.630 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCCc3ccccc32)o1 ZINC000820108988 606460708 /nfs/dbraw/zinc/46/07/08/606460708.db2.gz XUYMCQPHOADWLL-CQSZACIVSA-N -1 1 365.441 3.571 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCCc3ccccc32)o1 ZINC000819965464 606461169 /nfs/dbraw/zinc/46/11/69/606461169.db2.gz HQJGTNSPZPQGAY-ZDUSSCGKSA-N -1 1 365.441 3.670 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCCc3ccccc32)o1 ZINC000819965463 606461207 /nfs/dbraw/zinc/46/12/07/606461207.db2.gz HQJGTNSPZPQGAY-CYBMUJFWSA-N -1 1 365.441 3.670 20 30 FHEDMM CC(=NNc1ccnc2cc(Cl)ccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000823962518 608091592 /nfs/dbraw/zinc/09/15/92/608091592.db2.gz KVXRWNPXCPFTAT-UHFFFAOYSA-N -1 1 369.841 3.966 20 30 FHEDMM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826403337 608092336 /nfs/dbraw/zinc/09/23/36/608092336.db2.gz PFXJCAIDYOKKCQ-WAYWQWQTSA-N -1 1 366.324 3.723 20 30 FHEDMM O=C(C=Cc1ccccc1OC(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826403337 608092337 /nfs/dbraw/zinc/09/23/37/608092337.db2.gz PFXJCAIDYOKKCQ-WAYWQWQTSA-N -1 1 366.324 3.723 20 30 FHEDMM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824271165 608092433 /nfs/dbraw/zinc/09/24/33/608092433.db2.gz MFXWYMYVOQCVIO-VMPITWQZSA-N -1 1 354.435 3.859 20 30 FHEDMM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824271165 608092434 /nfs/dbraw/zinc/09/24/34/608092434.db2.gz MFXWYMYVOQCVIO-VMPITWQZSA-N -1 1 354.435 3.859 20 30 FHEDMM O=C(C=Cc1cnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403657 608093084 /nfs/dbraw/zinc/09/30/84/608093084.db2.gz YOUUDKUOKKCRKS-SREVYHEPSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1cnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403657 608093085 /nfs/dbraw/zinc/09/30/85/608093085.db2.gz YOUUDKUOKKCRKS-SREVYHEPSA-N -1 1 365.443 3.948 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(c3cccc(F)c3)C2)o1 ZINC000824135408 609372612 /nfs/dbraw/zinc/37/26/12/609372612.db2.gz FERPRICJQGMXBT-UHFFFAOYSA-N -1 1 369.404 3.637 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC)c(C)c1 ZINC000610336077 930011752 /nfs/dbraw/zinc/01/17/52/930011752.db2.gz LKGQZYKYRQZEDY-UHFFFAOYSA-N -1 1 373.478 3.888 20 30 FHEDMM N#Cc1ccc(OCc2ccc(C(=O)Nc3c([O-])cccc3F)o2)cc1 ZINC000610339759 930031464 /nfs/dbraw/zinc/03/14/64/930031464.db2.gz KGBBTNVLOZKTIB-UHFFFAOYSA-N -1 1 352.321 3.827 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(COC(C)(C)C)cc2)ccc1C#N ZINC000618088933 930649583 /nfs/dbraw/zinc/64/95/83/930649583.db2.gz LZFIRCUCVKPROI-UHFFFAOYSA-N -1 1 358.463 3.983 20 30 FHEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000525521453 931388837 /nfs/dbraw/zinc/38/88/37/931388837.db2.gz BMURMWSHDOZZSD-UHFFFAOYSA-N -1 1 351.431 3.837 20 30 FHEDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000581053170 931527603 /nfs/dbraw/zinc/52/76/03/931527603.db2.gz TVABJCGYCLZPIV-GFCCVEGCSA-N -1 1 368.808 3.661 20 30 FHEDMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000581856784 932755590 /nfs/dbraw/zinc/75/55/90/932755590.db2.gz PKTDWYQWYGUTBM-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000684534469 933582670 /nfs/dbraw/zinc/58/26/70/933582670.db2.gz QAXFQAJOVQTVLQ-UHFFFAOYSA-N -1 1 356.447 3.782 20 30 FHEDMM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CCOCC1 ZINC000657129396 934126671 /nfs/dbraw/zinc/12/66/71/934126671.db2.gz MKLMPSXOGUXONM-UHFFFAOYSA-N -1 1 368.257 3.536 20 30 FHEDMM CCCCOc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(C)c1 ZINC000427114603 945090669 /nfs/dbraw/zinc/09/06/69/945090669.db2.gz QAMJBMKRWMLFBK-UHFFFAOYSA-N -1 1 359.451 3.550 20 30 FHEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)cs1 ZINC000427118049 945103674 /nfs/dbraw/zinc/10/36/74/945103674.db2.gz SFWYBIXNNLQRKK-UHFFFAOYSA-N -1 1 373.434 3.930 20 30 FHEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(-c2cccs2)n1 ZINC000128133308 938333570 /nfs/dbraw/zinc/33/35/70/938333570.db2.gz OOOVUQFIXAQKLX-LBPRGKRZSA-N -1 1 353.428 3.833 20 30 FHEDMM C=CCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001299166009 938523278 /nfs/dbraw/zinc/52/32/78/938523278.db2.gz FEOZOJRITXTINI-UHFFFAOYSA-N -1 1 366.171 3.503 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1F ZINC000427217599 945209565 /nfs/dbraw/zinc/20/95/65/945209565.db2.gz IQIGHSJGHMCQTR-UHFFFAOYSA-N -1 1 362.279 3.656 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1[O-] ZINC000187998858 938999735 /nfs/dbraw/zinc/99/97/35/938999735.db2.gz PUIAZMXHVVMCHX-KRWDZBQOSA-N -1 1 374.400 3.681 20 30 FHEDMM N#CC(=C([O-])c1cccc(NC(=O)C2CC2)c1)c1nc(C2CC2)cs1 ZINC000647375744 939076809 /nfs/dbraw/zinc/07/68/09/939076809.db2.gz DWBFBVKJNVXXLZ-HNNXBMFYSA-N -1 1 351.431 3.859 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1F ZINC000427255820 945232657 /nfs/dbraw/zinc/23/26/57/945232657.db2.gz IEHYKZMWLMFJJW-UHFFFAOYSA-N -1 1 358.316 3.603 20 30 FHEDMM C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188386683 939222940 /nfs/dbraw/zinc/22/29/40/939222940.db2.gz BYNJANDNMZUTQU-SGTLLEGYSA-N -1 1 356.809 3.519 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)ccc1C#N ZINC000427293443 945256615 /nfs/dbraw/zinc/25/66/15/945256615.db2.gz BMRQRLFTJCCDHJ-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cccc1-c1ncco1 ZINC000427301960 945270302 /nfs/dbraw/zinc/27/03/02/945270302.db2.gz ZSYQSXBSEDBLCK-UHFFFAOYSA-N -1 1 373.821 3.976 20 30 FHEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000172066161 940089527 /nfs/dbraw/zinc/08/95/27/940089527.db2.gz YDKDXZNKRKCDHY-NRFANRHFSA-N -1 1 371.440 3.568 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1[O-] ZINC000580057314 940445563 /nfs/dbraw/zinc/44/55/63/940445563.db2.gz FZKWIOSVPQWCAU-IBGZPJMESA-N -1 1 356.372 3.966 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCCCC#N)c2)cc1 ZINC000180122293 940509249 /nfs/dbraw/zinc/50/92/49/940509249.db2.gz KNUXVAZUDYSQND-UHFFFAOYSA-N -1 1 372.446 3.565 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000175971876 940960734 /nfs/dbraw/zinc/96/07/34/940960734.db2.gz KDPJWTIVTWFKHP-UHFFFAOYSA-N -1 1 353.403 3.686 20 30 FHEDMM N#CC(=C([O-])c1ccc2ccc(Cl)cc2n1)c1nnc2n1CCCCC2 ZINC000176463304 941046839 /nfs/dbraw/zinc/04/68/39/941046839.db2.gz CXWDQUQTVNOSEP-CQSZACIVSA-N -1 1 365.824 3.696 20 30 FHEDMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177619959 941139843 /nfs/dbraw/zinc/13/98/43/941139843.db2.gz GNSIBOIIVUWPBB-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OC(F)F ZINC000513382516 941891239 /nfs/dbraw/zinc/89/12/39/941891239.db2.gz FLLIBYMQHSGSFI-UHFFFAOYSA-N -1 1 372.780 3.922 20 30 FHEDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000421144976 942372979 /nfs/dbraw/zinc/37/29/79/942372979.db2.gz CKNRLROTMPUSIK-GJZGRUSLSA-N -1 1 370.540 3.884 20 30 FHEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CCC1 ZINC000416670739 943033324 /nfs/dbraw/zinc/03/33/24/943033324.db2.gz MLUDDDMOZSGZHC-UHFFFAOYSA-N -1 1 353.658 3.619 20 30 FHEDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1C ZINC000164001109 943063843 /nfs/dbraw/zinc/06/38/43/943063843.db2.gz YHZVQRXGPHMOSA-UHFFFAOYSA-N -1 1 365.798 3.538 20 30 FHEDMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435166579 943224850 /nfs/dbraw/zinc/22/48/50/943224850.db2.gz VUWDUPRSJPSSEC-UHFFFAOYSA-N -1 1 370.352 3.777 20 30 FHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(CO[C@H]2CCC[C@H](C)C2)c1 ZINC000416933664 943241357 /nfs/dbraw/zinc/24/13/57/943241357.db2.gz BHSPZOPEFMRPNA-JCGIZDLHSA-N -1 1 350.484 3.826 20 30 FHEDMM C=CCCCCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000473773021 944409186 /nfs/dbraw/zinc/40/91/86/944409186.db2.gz BFDDELDOUHHBKZ-UHFFFAOYSA-N -1 1 373.478 3.965 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(COC(C)C)cc2)n1 ZINC000518669610 944581977 /nfs/dbraw/zinc/58/19/77/944581977.db2.gz HOTHMZGBKSYYFE-OAHLLOKOSA-N -1 1 372.446 3.735 20 30 FHEDMM N#Cc1ccc(Oc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc2)cc1 ZINC000436934497 944822224 /nfs/dbraw/zinc/82/22/24/944822224.db2.gz GWVRXPCNDSQMDW-UHFFFAOYSA-N -1 1 358.353 3.878 20 30 FHEDMM N#Cc1ccccc1OC1CCC(NC(=O)c2c([O-])cccc2F)CC1 ZINC000436958095 944853393 /nfs/dbraw/zinc/85/33/93/944853393.db2.gz ZFLLPODDMXJYHZ-UHFFFAOYSA-N -1 1 354.381 3.523 20 30 FHEDMM N#Cc1cnccc1[N-]C(=O)c1cc(-c2cccc(Br)c2)no1 ZINC001125956645 945060457 /nfs/dbraw/zinc/06/04/57/945060457.db2.gz YKFRFAPHEPWUQP-UHFFFAOYSA-N -1 1 369.178 3.623 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507646758 945398259 /nfs/dbraw/zinc/39/82/59/945398259.db2.gz ZYOQSLKSLJDYSD-UHFFFAOYSA-N -1 1 365.386 3.906 20 30 FHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc(-n3cccn3)c2)s1 ZINC000519799857 945786624 /nfs/dbraw/zinc/78/66/24/945786624.db2.gz MXVYJUPVKRCDBD-ZDUSSCGKSA-N -1 1 351.435 3.511 20 30 FHEDMM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000184154497 945861437 /nfs/dbraw/zinc/86/14/37/945861437.db2.gz SHCNJAUCFATTBR-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1Br ZINC000029967133 946154413 /nfs/dbraw/zinc/15/44/13/946154413.db2.gz POCARUQIYYLTJM-UHFFFAOYSA-N -1 1 365.252 3.624 20 30 FHEDMM C=CCN(CC(F)(F)F)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000094068558 947799922 /nfs/dbraw/zinc/79/99/22/947799922.db2.gz AJDIPKHDRNZYHZ-UHFFFAOYSA-N -1 1 374.359 3.930 20 30 FHEDMM C=CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(C)C ZINC000728868836 947830858 /nfs/dbraw/zinc/83/08/58/947830858.db2.gz PXFMDGHAKUSOHV-UHFFFAOYSA-N -1 1 358.463 3.524 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(F)c(SC)c2)n1 ZINC000500442966 947949144 /nfs/dbraw/zinc/94/91/44/947949144.db2.gz RLRGLHXBIPUVFY-JTQLQIEISA-N -1 1 364.423 3.671 20 30 FHEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2NCC2(CC#N)CC2)cc1 ZINC000603368060 568091737 /nfs/dbraw/zinc/09/17/37/568091737.db2.gz DQHUVXZGNSUMDF-UHFFFAOYSA-N -1 1 371.462 3.602 20 30 FHEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2NCC2(C#N)CCC2)cc1 ZINC000603400689 568093194 /nfs/dbraw/zinc/09/31/94/568093194.db2.gz VTGPHDCSEZYRJP-UHFFFAOYSA-N -1 1 371.462 3.602 20 30 FHEDMM Cc1cc(Br)cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619463768 568485521 /nfs/dbraw/zinc/48/55/21/568485521.db2.gz AFRTWUNQVOZCIP-UHFFFAOYSA-N -1 1 365.252 3.624 20 30 FHEDMM Cc1ccc(CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C2CC2)cc1 ZINC000737328062 599151159 /nfs/dbraw/zinc/15/11/59/599151159.db2.gz BHQUDKLFZPFJAH-UHFFFAOYSA-N -1 1 365.441 3.707 20 30 FHEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OCC2CC2)c1 ZINC000832934362 601494603 /nfs/dbraw/zinc/49/46/03/601494603.db2.gz QEDGFFMYBPJTGW-HXUWFJFHSA-N -1 1 350.418 3.571 20 30 FHEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000832933853 601560672 /nfs/dbraw/zinc/56/06/72/601560672.db2.gz JWGFZIHOYFLXPR-LJQANCHMSA-N -1 1 352.434 3.960 20 30 FHEDMM C(=NN(Cc1ccccc1)c1ccccc1)c1ccc(-c2nn[n-]n2)s1 ZINC000819718210 606366965 /nfs/dbraw/zinc/36/69/65/606366965.db2.gz AQVUHBBIIRYKEP-UHFFFAOYSA-N -1 1 360.446 3.969 20 30 FHEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c2ccccc12 ZINC000821769486 606388713 /nfs/dbraw/zinc/38/87/13/606388713.db2.gz IBBBALRNJDANLU-RMKNXTFCSA-N -1 1 362.414 3.986 20 30 FHEDMM COc1ccc2oc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)c(C)c2c1 ZINC000821853842 606390240 /nfs/dbraw/zinc/39/02/40/606390240.db2.gz BPJHHZYYZFYVNN-GQCTYLIASA-N -1 1 366.402 3.888 20 30 FHEDMM CC(C)c1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CO2 ZINC000820192307 606390385 /nfs/dbraw/zinc/39/03/85/606390385.db2.gz IVUJXQSGGNUJRG-KPKJPENVSA-N -1 1 352.419 3.710 20 30 FHEDMM N#Cc1cccc(CNc2ccccc2Oc2ncccc2-c2nn[n-]n2)c1 ZINC000822837338 606447001 /nfs/dbraw/zinc/44/70/01/606447001.db2.gz KGWHLDHWRJNYCA-UHFFFAOYSA-N -1 1 369.388 3.538 20 30 FHEDMM N#Cc1ccc(Oc2ccc(Oc3cccc(-c4nnn[n-]4)n3)cc2)cc1 ZINC000826386260 607901642 /nfs/dbraw/zinc/90/16/42/607901642.db2.gz WNNBAQAONKEZFP-UHFFFAOYSA-N -1 1 356.345 3.718 20 30 FHEDMM N#Cc1ccc(Oc2ccc(Oc3cccc(-c4nn[n-]n4)n3)cc2)cc1 ZINC000826386260 607901643 /nfs/dbraw/zinc/90/16/43/607901643.db2.gz WNNBAQAONKEZFP-UHFFFAOYSA-N -1 1 356.345 3.718 20 30 FHEDMM Cc1oc2ccccc2c1CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000826342428 607965125 /nfs/dbraw/zinc/96/51/25/607965125.db2.gz JUNBPVYCSASWJN-UHFFFAOYSA-N -1 1 365.397 3.653 20 30 FHEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OCC ZINC000825637903 608091970 /nfs/dbraw/zinc/09/19/70/608091970.db2.gz AVQWISPMZMEJNI-FNORWQNLSA-N -1 1 370.434 3.622 20 30 FHEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OCC ZINC000825637903 608091971 /nfs/dbraw/zinc/09/19/71/608091971.db2.gz AVQWISPMZMEJNI-FNORWQNLSA-N -1 1 370.434 3.622 20 30 FHEDMM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401372 608093245 /nfs/dbraw/zinc/09/32/45/608093245.db2.gz WOYAWSRQDCPROP-RMKNXTFCSA-N -1 1 365.462 3.815 20 30 FHEDMM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401421 608094000 /nfs/dbraw/zinc/09/40/00/608094000.db2.gz XYPBVFBSQAAVBJ-SNAWJCMRSA-N -1 1 361.224 3.587 20 30 FHEDMM O=C(C=Cc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401421 608094001 /nfs/dbraw/zinc/09/40/01/608094001.db2.gz XYPBVFBSQAAVBJ-SNAWJCMRSA-N -1 1 361.224 3.587 20 30 FHEDMM COc1ccc2oc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)cc2c1 ZINC000826213535 608109716 /nfs/dbraw/zinc/10/97/16/608109716.db2.gz AGIWMDUQTMABRR-RQOWECAXSA-N -1 1 352.375 3.579 20 30 FHEDMM COc1ccc2oc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)cc2c1 ZINC000826213535 608109717 /nfs/dbraw/zinc/10/97/17/608109717.db2.gz AGIWMDUQTMABRR-RQOWECAXSA-N -1 1 352.375 3.579 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)Cc2ccc(Cl)cc2)o1 ZINC000824457779 608289266 /nfs/dbraw/zinc/28/92/66/608289266.db2.gz RWMDPMUSBVYXIQ-UHFFFAOYSA-N -1 1 359.821 3.662 20 30 FHEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC(F)F ZINC000826297569 609309669 /nfs/dbraw/zinc/30/96/69/609309669.db2.gz LPAWSXKIYVOAFS-WAYWQWQTSA-N -1 1 362.361 3.734 20 30 FHEDMM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1OC(F)F ZINC000826297569 609309671 /nfs/dbraw/zinc/30/96/71/609309671.db2.gz LPAWSXKIYVOAFS-WAYWQWQTSA-N -1 1 362.361 3.734 20 30 FHEDMM Cc1cc(NC(=O)C(C)(C)C)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000049405492 927033845 /nfs/dbraw/zinc/03/38/45/927033845.db2.gz BPLBTOAYFLKOMB-ZDUSSCGKSA-N -1 1 370.478 3.938 20 30 FHEDMM C=CCC[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccccc1 ZINC000154215117 928472995 /nfs/dbraw/zinc/47/29/95/928472995.db2.gz BCTVWZDVHDRKPQ-QGZVFWFLSA-N -1 1 371.506 3.557 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000050534512 931236517 /nfs/dbraw/zinc/23/65/17/931236517.db2.gz JMKBTNPMSSRNEZ-UHFFFAOYSA-N -1 1 351.387 3.546 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1Br ZINC000307965489 931566682 /nfs/dbraw/zinc/56/66/82/931566682.db2.gz QNBWCOGOBJLEJV-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(OCC(F)F)nc2)s1 ZINC000430592348 931995661 /nfs/dbraw/zinc/99/56/61/931995661.db2.gz QHIWRLPSEPQZBS-NSHDSACASA-N -1 1 365.405 3.970 20 30 FHEDMM COCCOc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430602454 932057517 /nfs/dbraw/zinc/05/75/17/932057517.db2.gz LDCIXHJPSDERGC-HNNXBMFYSA-N -1 1 358.463 3.956 20 30 FHEDMM N#Cc1ccccc1-c1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000247647222 934543551 /nfs/dbraw/zinc/54/35/51/934543551.db2.gz KQYOKOROGGCIDK-UHFFFAOYSA-N -1 1 357.295 3.614 20 30 FHEDMM COc1c(Cl)cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000509562304 945112229 /nfs/dbraw/zinc/11/22/29/945112229.db2.gz XIVGZERCJGSWPJ-UHFFFAOYSA-N -1 1 357.218 3.674 20 30 FHEDMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000121808990 935734110 /nfs/dbraw/zinc/73/41/10/935734110.db2.gz XMDZIZSIBLAVBX-JTQLQIEISA-N -1 1 355.674 3.863 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(C(F)(F)F)ccc2Cl)c(=O)o1 ZINC000255540088 936053307 /nfs/dbraw/zinc/05/33/07/936053307.db2.gz FHQOJQUBWHVIOW-FWWGQDLDSA-N -1 1 358.699 3.587 20 30 FHEDMM C=CC[C@H]1N(C(=O)CCc2c(C)nc(SC)[n-]c2=O)CCCC1(C)C ZINC000278411911 938397461 /nfs/dbraw/zinc/39/74/61/938397461.db2.gz NVSPBJVBMJDFTK-OAHLLOKOSA-N -1 1 363.527 3.738 20 30 FHEDMM C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188386656 939223009 /nfs/dbraw/zinc/22/30/09/939223009.db2.gz BYNJANDNMZUTQU-XIKOKIGWSA-N -1 1 356.809 3.519 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc1[O-] ZINC000188420160 939874086 /nfs/dbraw/zinc/87/40/86/939874086.db2.gz JVUYGVOMZOFNTH-INIZCTEOSA-N -1 1 358.850 3.848 20 30 FHEDMM N#CC(=C([O-])c1cccc2c1CC(=O)CC2)c1nc2cc(F)ccc2s1 ZINC000685788270 940178799 /nfs/dbraw/zinc/17/87/99/940178799.db2.gz ZXQRZDLBGVQDPD-INIZCTEOSA-N -1 1 364.401 3.983 20 30 FHEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(C(F)(F)F)cs1 ZINC000188603686 940291063 /nfs/dbraw/zinc/29/10/63/940291063.db2.gz RJHJZJBSCLGOIX-JTQLQIEISA-N -1 1 355.341 3.620 20 30 FHEDMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177621070 941142366 /nfs/dbraw/zinc/14/23/66/941142366.db2.gz KGWHODMJDXNQNO-UHFFFAOYSA-N -1 1 370.352 3.524 20 30 FHEDMM N#Cc1ccc(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cc1[O-] ZINC000189268888 941154404 /nfs/dbraw/zinc/15/44/04/941154404.db2.gz AOTIEPJJILZQGF-UHFFFAOYSA-N -1 1 360.335 3.744 20 30 FHEDMM O=C(CCc1ccccc1Br)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266545 942322309 /nfs/dbraw/zinc/32/23/09/942322309.db2.gz SDXFVQDKKCLQJL-UHFFFAOYSA-N -1 1 363.137 3.807 20 30 FHEDMM C[C@@H](c1ccccc1Br)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190157676 942833484 /nfs/dbraw/zinc/83/34/84/942833484.db2.gz PHTIEZYSKRUZHP-NSHDSACASA-N -1 1 359.223 3.860 20 30 FHEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000425190500 942967681 /nfs/dbraw/zinc/96/76/81/942967681.db2.gz RIWVTYOMTRPVGB-IONNQARKSA-N -1 1 353.658 3.617 20 30 FHEDMM Cc1sc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1Br ZINC000425274952 943161151 /nfs/dbraw/zinc/16/11/51/943161151.db2.gz SEEQLXXBZLXLOT-JTQLQIEISA-N -1 1 350.241 3.716 20 30 FHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1C ZINC000435162121 943223273 /nfs/dbraw/zinc/22/32/73/943223273.db2.gz HXPRIPPKCXJWMR-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)s1 ZINC000435492837 943446210 /nfs/dbraw/zinc/44/62/10/943446210.db2.gz YKGMYXOPSUWYKR-UHFFFAOYSA-N -1 1 370.415 3.557 20 30 FHEDMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1F ZINC000435725391 943582169 /nfs/dbraw/zinc/58/21/69/943582169.db2.gz GIVROFXIPYCYGX-UHFFFAOYSA-N -1 1 354.403 3.668 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)ccc1C#N ZINC000435757475 943606627 /nfs/dbraw/zinc/60/66/27/943606627.db2.gz ZZKLKQMPJRJNMY-UHFFFAOYSA-N -1 1 371.462 3.652 20 30 FHEDMM C=CCn1c(C)cc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)c1C ZINC000584810248 943657952 /nfs/dbraw/zinc/65/79/52/943657952.db2.gz JZPXMQLHFRMWLJ-UHFFFAOYSA-N -1 1 353.394 3.699 20 30 FHEDMM C=CCSc1ccccc1NC(=O)CN1CCCC[C@@H]1CCC(=O)[O-] ZINC000424264640 943813122 /nfs/dbraw/zinc/81/31/22/943813122.db2.gz UIELTJDDGDYQPT-OAHLLOKOSA-N -1 1 362.495 3.623 20 30 FHEDMM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435901012 943835698 /nfs/dbraw/zinc/83/56/98/943835698.db2.gz FARICIBERKEVOQ-CYBMUJFWSA-N -1 1 353.246 3.739 20 30 FHEDMM N#CCCN(C(=O)c1cc2ccccc2cc1[O-])c1ccc2c(c1)OCCO2 ZINC000436570439 944434429 /nfs/dbraw/zinc/43/44/29/944434429.db2.gz QHAUVFBBDJEPQP-UHFFFAOYSA-N -1 1 374.396 3.877 20 30 FHEDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000436785861 944631774 /nfs/dbraw/zinc/63/17/74/944631774.db2.gz GYYXSGGKZCEOQU-GFCCVEGCSA-N -1 1 369.446 3.855 20 30 FHEDMM N#Cc1ccc(N2CC[C@H](c3nc(-c4ccc([O-])cc4F)no3)C2)c(F)c1 ZINC000436879831 944752006 /nfs/dbraw/zinc/75/20/06/944752006.db2.gz PBWGLODSYFFECM-LBPRGKRZSA-N -1 1 368.343 3.586 20 30 FHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000511742702 944981873 /nfs/dbraw/zinc/98/18/73/944981873.db2.gz ZGVCARVHDXVVBJ-UHFFFAOYSA-N -1 1 368.252 3.815 20 30 FHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)c(Br)c1 ZINC000507692521 945455424 /nfs/dbraw/zinc/45/54/24/945455424.db2.gz BNMPSBRWARXYJW-SECBINFHSA-N -1 1 363.186 3.656 20 30 FHEDMM C=C[C@@H]1CCCCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000487489344 946593033 /nfs/dbraw/zinc/59/30/33/946593033.db2.gz UQRDGGHDPWFHAU-LLVKDONJSA-N -1 1 361.239 3.884 20 30 FHEDMM N#Cc1ccc(C(=O)NCC2(c3cccc(F)c3F)CCCC2)cc1[O-] ZINC000427562150 946757451 /nfs/dbraw/zinc/75/74/51/946757451.db2.gz HAYWVUCGBDBBDI-UHFFFAOYSA-N -1 1 356.372 3.784 20 30 FHEDMM Cc1nc(C(=O)[N-]c2nnc(CC(C)C)s2)c(Br)s1 ZINC000330641609 947224419 /nfs/dbraw/zinc/22/44/19/947224419.db2.gz ITIZNBMSRJENQX-UHFFFAOYSA-N -1 1 361.290 3.900 20 30 FHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000055551410 210070389 /nfs/dbraw/zinc/07/03/89/210070389.db2.gz WHRSGECTZQLUQL-UHFFFAOYSA-N -1 1 358.463 3.527 20 30 FHEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c2ccccc12 ZINC000072027117 221397542 /nfs/dbraw/zinc/39/75/42/221397542.db2.gz QGBWQPLNDKHYHT-UHFFFAOYSA-N -1 1 352.415 3.911 20 30 FHEDMM N#Cc1ccc(Cc2cnc(NC(=O)c3cc(F)ccc3[O-])s2)cc1 ZINC000436559635 567850588 /nfs/dbraw/zinc/85/05/88/567850588.db2.gz APFHBOBFJVOYKV-UHFFFAOYSA-N -1 1 353.378 3.703 20 30 FHEDMM Oc1ccccc1C=NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000738400166 598825432 /nfs/dbraw/zinc/82/54/32/598825432.db2.gz FASMISDQCSHPLP-NDENLUEZSA-N -1 1 361.430 3.920 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2c2ccccc2)o1 ZINC000735850791 598740900 /nfs/dbraw/zinc/74/09/00/598740900.db2.gz ILVKIFVLPCBAQL-CQSZACIVSA-N -1 1 365.441 3.789 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2c2ccccc2)o1 ZINC000735850790 598741333 /nfs/dbraw/zinc/74/13/33/598741333.db2.gz ILVKIFVLPCBAQL-AWEZNQCLSA-N -1 1 365.441 3.789 20 30 FHEDMM Cc1cc(C=NNc2cc(F)c(F)cc2F)cc(C)c1OCC(=O)[O-] ZINC000738378826 600567328 /nfs/dbraw/zinc/56/73/28/600567328.db2.gz KHUXXTBNZPCHNP-UHFFFAOYSA-N -1 1 352.312 3.630 20 30 FHEDMM N#Cc1ccc([C@H](Sc2nc(CCC3CCCC3)n[nH]2)C(=O)[O-])cc1 ZINC000739117977 600937699 /nfs/dbraw/zinc/93/76/99/600937699.db2.gz NWBPVPTWYYSIDF-INIZCTEOSA-N -1 1 356.451 3.717 20 30 FHEDMM N#Cc1ccc([C@H](Sc2n[nH]c(CCC3CCCC3)n2)C(=O)[O-])cc1 ZINC000739117977 600937702 /nfs/dbraw/zinc/93/77/02/600937702.db2.gz NWBPVPTWYYSIDF-INIZCTEOSA-N -1 1 356.451 3.717 20 30 FHEDMM CC(C)CCOc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826860903 601303823 /nfs/dbraw/zinc/30/38/23/601303823.db2.gz IVZOXLSTYZCARO-HXUWFJFHSA-N -1 1 352.434 3.899 20 30 FHEDMM N#Cc1cccc([C@@H](NCc2ccc(OC3CCCCC3)nc2)C(=O)[O-])c1 ZINC000833075947 601304584 /nfs/dbraw/zinc/30/45/84/601304584.db2.gz OOXBXKYKXMEXTR-HXUWFJFHSA-N -1 1 365.433 3.580 20 30 FHEDMM Cc1c(C(C)N=Nc2ccc(C(=O)[O-])c(Cl)c2)nnn1-c1ccccc1 ZINC000833386489 605158663 /nfs/dbraw/zinc/15/86/63/605158663.db2.gz JNQSDKZEGCEPKB-UHFFFAOYSA-N -1 1 369.812 3.763 20 30 FHEDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1Br)c1ccccc1 ZINC000833406096 605362498 /nfs/dbraw/zinc/36/24/98/605362498.db2.gz AIFMFPJUUSJZCZ-SJKOYZFVSA-N -1 1 373.250 3.872 20 30 FHEDMM CSc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000821983291 606390308 /nfs/dbraw/zinc/39/03/08/606390308.db2.gz FXUPJARNYSYALL-LUAWRHEFSA-N -1 1 354.460 3.863 20 30 FHEDMM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)ccc1SC ZINC000821703319 606390607 /nfs/dbraw/zinc/39/06/07/606390607.db2.gz ZCOSBXDOZRHJAC-GQCTYLIASA-N -1 1 358.448 3.555 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(C(F)(F)F)cc1 ZINC000822921952 606391468 /nfs/dbraw/zinc/39/14/68/606391468.db2.gz BACIYSNBBIMMJR-ALCCZGGFSA-N -1 1 350.325 3.843 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H]2CCCc3ccccc32)o1 ZINC000820108987 606461095 /nfs/dbraw/zinc/46/10/95/606461095.db2.gz XUYMCQPHOADWLL-AWEZNQCLSA-N -1 1 365.441 3.571 20 30 FHEDMM O=C(C=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000826402849 608092175 /nfs/dbraw/zinc/09/21/75/608092175.db2.gz DJFAWHVANAZKCN-TWGQIWQCSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826402849 608092176 /nfs/dbraw/zinc/09/21/76/608092176.db2.gz DJFAWHVANAZKCN-TWGQIWQCSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400857 608092238 /nfs/dbraw/zinc/09/22/38/608092238.db2.gz JWNFAMIMLMBPQA-RQOWECAXSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1ccc(F)c(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400857 608092239 /nfs/dbraw/zinc/09/22/39/608092239.db2.gz JWNFAMIMLMBPQA-RQOWECAXSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401373 608093102 /nfs/dbraw/zinc/09/31/02/608093102.db2.gz WOYAWSRQDCPROP-TWGQIWQCSA-N -1 1 365.462 3.815 20 30 FHEDMM CCCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000825339205 608093402 /nfs/dbraw/zinc/09/34/02/608093402.db2.gz RKRWNMLIFWNHIA-GQCTYLIASA-N -1 1 370.434 3.622 20 30 FHEDMM CCCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000825339205 608093403 /nfs/dbraw/zinc/09/34/03/608093403.db2.gz RKRWNMLIFWNHIA-GQCTYLIASA-N -1 1 370.434 3.622 20 30 FHEDMM CC(=NNc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962025 608094584 /nfs/dbraw/zinc/09/45/84/608094584.db2.gz DABDZMWRZMCOOP-UHFFFAOYSA-N -1 1 363.244 3.527 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCC[C@H](c3ccccc3)C2)o1 ZINC000826323146 608228977 /nfs/dbraw/zinc/22/89/77/608228977.db2.gz RYWHCWRKKYMUMY-AWEZNQCLSA-N -1 1 351.414 3.679 20 30 FHEDMM N#CCCN(C(=O)CCC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000182863502 928855074 /nfs/dbraw/zinc/85/50/74/928855074.db2.gz AWXPDEHGIKFAQU-UHFFFAOYSA-N -1 1 371.824 3.711 20 30 FHEDMM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cncc([O-])c2)cc1 ZINC000547757026 929388903 /nfs/dbraw/zinc/38/89/03/929388903.db2.gz YIBXPAQPNGYKRT-UHFFFAOYSA-N -1 1 361.376 3.641 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3c(Cl)cccc3Cl)CCC2)o1 ZINC000561528807 932428253 /nfs/dbraw/zinc/42/82/53/932428253.db2.gz ORWWRHZBLVZHJP-UHFFFAOYSA-N -1 1 371.245 3.816 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000135357527 933109466 /nfs/dbraw/zinc/10/94/66/933109466.db2.gz OOJWVOKMJZHJEN-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cc1Cl ZINC000510794953 933735149 /nfs/dbraw/zinc/73/51/49/933735149.db2.gz IDKWGBVGXDTGEL-CYBMUJFWSA-N -1 1 366.792 3.611 20 30 FHEDMM CC(=Cc1c(Cl)cccc1Cl)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000588473253 934496115 /nfs/dbraw/zinc/49/61/15/934496115.db2.gz TXAIWYSDPFTINV-CUZBXDDWSA-N -1 1 362.216 3.722 20 30 FHEDMM N#CC(=C([O-])c1cnc(Oc2ccccc2)cn1)c1nc2ccccc2[nH]1 ZINC000091104489 934807673 /nfs/dbraw/zinc/80/76/73/934807673.db2.gz GIOSXBZMKSTCFG-AWEZNQCLSA-N -1 1 355.357 3.635 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)cc1 ZINC000431317814 935025971 /nfs/dbraw/zinc/02/59/71/935025971.db2.gz FJWLTTROEQENAH-UHFFFAOYSA-N -1 1 374.425 3.698 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(Cl)c1 ZINC000551476912 935290468 /nfs/dbraw/zinc/29/04/68/935290468.db2.gz DVLFJSHFUOIKGR-UHFFFAOYSA-N -1 1 363.172 3.944 20 30 FHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Br ZINC000427118228 945103488 /nfs/dbraw/zinc/10/34/88/945103488.db2.gz UYOLYDOMKWZBAB-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000121808828 935736798 /nfs/dbraw/zinc/73/67/98/935736798.db2.gz XMDZIZSIBLAVBX-SNVBAGLBSA-N -1 1 355.674 3.863 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1F ZINC000427203580 945173263 /nfs/dbraw/zinc/17/32/63/945173263.db2.gz JYRVWHPYCBRBMP-UHFFFAOYSA-N -1 1 369.377 3.685 20 30 FHEDMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)n1 ZINC000427208897 945202086 /nfs/dbraw/zinc/20/20/86/945202086.db2.gz JWUFJWQJDQKSEK-UHFFFAOYSA-N -1 1 373.434 3.930 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1F ZINC000427239902 945216117 /nfs/dbraw/zinc/21/61/17/945216117.db2.gz UZTWMASDNMSCCF-UHFFFAOYSA-N -1 1 372.343 3.993 20 30 FHEDMM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647378740 939079770 /nfs/dbraw/zinc/07/97/70/939079770.db2.gz WOANYYLKDJWTDC-OAHLLOKOSA-N -1 1 353.447 3.649 20 30 FHEDMM CCCc1c(NC(=O)c2ccc(C)cc2[O-])cnn1-c1cccc(C#N)c1 ZINC000440091988 945234798 /nfs/dbraw/zinc/23/47/98/945234798.db2.gz ZJPZBWBNBYYQAD-UHFFFAOYSA-N -1 1 360.417 3.963 20 30 FHEDMM COC(=O)[C@@H](C)Oc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1 ZINC000255910878 941015013 /nfs/dbraw/zinc/01/50/13/941015013.db2.gz WEYPQWAIIPLCQO-KWWJGWKXSA-N -1 1 352.386 3.545 20 30 FHEDMM COC(=O)[C@H](C)Oc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1 ZINC000255910879 941015200 /nfs/dbraw/zinc/01/52/00/941015200.db2.gz WEYPQWAIIPLCQO-XDUBLRSXSA-N -1 1 352.386 3.545 20 30 FHEDMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177619882 941139857 /nfs/dbraw/zinc/13/98/57/941139857.db2.gz SPMSSQKZWRFLRX-UHFFFAOYSA-N -1 1 368.336 3.580 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1[O-] ZINC000189202128 941153951 /nfs/dbraw/zinc/15/39/51/941153951.db2.gz WOKYEGKMZZGDQV-AWEZNQCLSA-N -1 1 356.250 3.575 20 30 FHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2c3c(cc4c2CCC4)CCC3)c1 ZINC000589559592 941305915 /nfs/dbraw/zinc/30/59/15/941305915.db2.gz AXUNNFVRKMHIBC-UHFFFAOYSA-N -1 1 352.459 3.531 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000179025585 941334671 /nfs/dbraw/zinc/33/46/71/941334671.db2.gz NZNWCBPXHJMFAI-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM O=C(c1c(F)ccc([O-])c1F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000280718388 942238815 /nfs/dbraw/zinc/23/88/15/942238815.db2.gz HAZHUMJWJHYYQA-UHFFFAOYSA-N -1 1 363.204 3.627 20 30 FHEDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000421144977 942372768 /nfs/dbraw/zinc/37/27/68/942372768.db2.gz CKNRLROTMPUSIK-HUUCEWRRSA-N -1 1 370.540 3.884 20 30 FHEDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)o1 ZINC000066814621 942646544 /nfs/dbraw/zinc/64/65/44/942646544.db2.gz SIJNLQTXIBGEIS-UHFFFAOYSA-N -1 1 373.821 3.976 20 30 FHEDMM CC(C)(C)c1csc([N-]C(=O)c2ccc(S(C)(=O)=O)s2)c1C#N ZINC000421572873 942664184 /nfs/dbraw/zinc/66/41/84/942664184.db2.gz GDQZIODBQPIMBK-UHFFFAOYSA-N -1 1 368.505 3.635 20 30 FHEDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC(F)(F)F ZINC000416606648 943009138 /nfs/dbraw/zinc/00/91/38/943009138.db2.gz OKLSNWJPFNSMLK-SSDOTTSWSA-N -1 1 367.286 3.711 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1 ZINC000435151475 943192761 /nfs/dbraw/zinc/19/27/61/943192761.db2.gz IWEWGLMHZCGFPX-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)ccc1C#N ZINC000435717461 943577739 /nfs/dbraw/zinc/57/77/39/943577739.db2.gz NOYGVQZMMTVLQW-UHFFFAOYSA-N -1 1 354.353 3.772 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1OC(F)F ZINC000435732842 943586533 /nfs/dbraw/zinc/58/65/33/943586533.db2.gz RZCYAXDTQGLCKL-UHFFFAOYSA-N -1 1 352.362 3.577 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)ccc1C#N ZINC000435759342 943595507 /nfs/dbraw/zinc/59/55/07/943595507.db2.gz JYWDJTFIYDILKW-UHFFFAOYSA-N -1 1 371.462 3.570 20 30 FHEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2)oc1C ZINC000435760160 943607186 /nfs/dbraw/zinc/60/71/86/943607186.db2.gz NBOMNWNWXAZQIB-UHFFFAOYSA-N -1 1 367.430 3.939 20 30 FHEDMM N#CCCCOc1cccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000417711484 943849260 /nfs/dbraw/zinc/84/92/60/943849260.db2.gz VVZBRJQDYZCNCV-UHFFFAOYSA-N -1 1 365.433 3.630 20 30 FHEDMM CC1(c2cc([N-]C(=O)c3cc(-c4cccc(C#N)c4)no3)no2)CCCC1 ZINC000516950500 943855745 /nfs/dbraw/zinc/85/57/45/943855745.db2.gz QBFVJVDSFRSUBL-UHFFFAOYSA-N -1 1 362.389 3.707 20 30 FHEDMM C=C(C)COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)ccc1OC ZINC000426782683 944800224 /nfs/dbraw/zinc/80/02/24/944800224.db2.gz HLQVHZBIJZGWMU-INIZCTEOSA-N -1 1 359.422 3.857 20 30 FHEDMM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2OC)cc1Cl ZINC000426795631 944818738 /nfs/dbraw/zinc/81/87/38/944818738.db2.gz YFRIBUWBBKHIAW-GOSISDBHSA-N -1 1 361.825 3.829 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000438753611 944990958 /nfs/dbraw/zinc/99/09/58/944990958.db2.gz AWCJQSJZOVXZBO-UHFFFAOYSA-N -1 1 366.446 3.729 20 30 FHEDMM C[C@@H]1C(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C[C@@H]1c1ccccc1 ZINC000820643010 945506240 /nfs/dbraw/zinc/50/62/40/945506240.db2.gz OPRPAFBBTZBOKL-AAEUAGOBSA-N -1 1 365.441 3.744 20 30 FHEDMM C=CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000110968959 945799734 /nfs/dbraw/zinc/79/97/34/945799734.db2.gz KRKQZFIRPQYNEN-UHFFFAOYSA-N -1 1 370.474 3.526 20 30 FHEDMM N#Cc1ccsc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444396432 946455562 /nfs/dbraw/zinc/45/55/62/946455562.db2.gz YDWBWUPGUIYZDP-UHFFFAOYSA-N -1 1 369.446 3.640 20 30 FHEDMM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(CC)c(CC)o1 ZINC000128744740 948078443 /nfs/dbraw/zinc/07/84/43/948078443.db2.gz OUVLIQLTTQGQRT-CQSZACIVSA-N -1 1 354.406 3.764 20 30 FHEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(C2CCCCC2)n1 ZINC000826359377 948114505 /nfs/dbraw/zinc/11/45/05/948114505.db2.gz FFOUEEDURSXJQG-FPLPWBNLSA-N -1 1 368.466 3.606 20 30 FHEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(C2CCCCC2)n1 ZINC000826359377 948114514 /nfs/dbraw/zinc/11/45/14/948114514.db2.gz FFOUEEDURSXJQG-FPLPWBNLSA-N -1 1 368.466 3.606 20 30 FHEDMM C=CCn1c(-c2sc(NC(=O)CSCCC)nc2C)n[n-]c1=S ZINC000051063781 210060849 /nfs/dbraw/zinc/06/08/49/210060849.db2.gz ACQWRVAVXIZULU-UHFFFAOYSA-N -1 1 369.541 3.640 20 30 FHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([N+](=O)[O-])[nH]3)n2)cc1 ZINC000603836559 568159551 /nfs/dbraw/zinc/15/95/51/568159551.db2.gz FGBBWWRZWVHHNQ-LBPRGKRZSA-N -1 1 352.375 3.845 20 30 FHEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccccc1 ZINC000007632619 568246922 /nfs/dbraw/zinc/24/69/22/568246922.db2.gz NUIRLJASOSHFCS-UHFFFAOYSA-N -1 1 351.431 3.812 20 30 FHEDMM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000619463425 568436177 /nfs/dbraw/zinc/43/61/77/568436177.db2.gz YGDSHJBEUCLQSP-UHFFFAOYSA-N -1 1 358.463 3.869 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)CCc2ccccc2F)o1 ZINC000735992467 598926041 /nfs/dbraw/zinc/92/60/41/598926041.db2.gz HBMVTDIQUQTMKI-UHFFFAOYSA-N -1 1 357.393 3.538 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CC(C)(c3ccccc3)C2)o1 ZINC000735851044 598276557 /nfs/dbraw/zinc/27/65/57/598276557.db2.gz KDJNSOFJNSXBIC-UHFFFAOYSA-N -1 1 365.441 3.573 20 30 FHEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000739104199 600572424 /nfs/dbraw/zinc/57/24/24/600572424.db2.gz FJPDSLXCDOQHTC-NSHDSACASA-N -1 1 366.261 3.501 20 30 FHEDMM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1Br ZINC000736662905 600590234 /nfs/dbraw/zinc/59/02/34/600590234.db2.gz UQDZZBIPAGLWEM-ZBEGNZNMSA-N -1 1 359.223 3.797 20 30 FHEDMM Cc1oc(CN=Nc2c(F)cc(F)cc2Br)cc1C(=O)[O-] ZINC000738969612 600947438 /nfs/dbraw/zinc/94/74/38/600947438.db2.gz MQYLECHVHSDIIN-UHFFFAOYSA-N -1 1 359.126 3.773 20 30 FHEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000833073843 601319123 /nfs/dbraw/zinc/31/91/23/601319123.db2.gz IWKPIMPVIBTMSI-NSHDSACASA-N -1 1 366.261 3.501 20 30 FHEDMM CC[C@H](C)Oc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828758026 601644105 /nfs/dbraw/zinc/64/41/05/601644105.db2.gz GHCJTFUNIQGDIP-MGPUTAFESA-N -1 1 352.434 3.960 20 30 FHEDMM Cc1c(C#N)cccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000832849313 604399489 /nfs/dbraw/zinc/39/94/89/604399489.db2.gz CMGXNRSNTMKTBT-UHFFFAOYSA-N -1 1 372.427 3.580 20 30 FHEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(NC(=O)NC(C)C)cc1 ZINC000833387263 605100806 /nfs/dbraw/zinc/10/08/06/605100806.db2.gz YXNJQBNQRYNMJS-UHFFFAOYSA-N -1 1 354.410 3.751 20 30 FHEDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1Br)c1ccccc1 ZINC000833406097 605362342 /nfs/dbraw/zinc/36/23/42/605362342.db2.gz AIFMFPJUUSJZCZ-YVEFUNNKSA-N -1 1 373.250 3.872 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000822922929 606391547 /nfs/dbraw/zinc/39/15/47/606391547.db2.gz LCFYGSMHQMVPQW-ALCCZGGFSA-N -1 1 366.324 3.723 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(F)cc1OC(F)F ZINC000822922700 606392751 /nfs/dbraw/zinc/39/27/51/606392751.db2.gz IPFPLPYRDNCLDC-DJWKRKHSSA-N -1 1 366.324 3.565 20 30 FHEDMM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000822195214 606836130 /nfs/dbraw/zinc/83/61/30/606836130.db2.gz KELNUDKTAOVQQN-FMIVXFBMSA-N -1 1 352.419 3.594 20 30 FHEDMM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399613 608092333 /nfs/dbraw/zinc/09/23/33/608092333.db2.gz AKAKQXLETZPVEU-UPHRSURJSA-N -1 1 367.253 3.648 20 30 FHEDMM O=C(C=Cc1cc(Br)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399613 608092334 /nfs/dbraw/zinc/09/23/34/608092334.db2.gz AKAKQXLETZPVEU-UPHRSURJSA-N -1 1 367.253 3.648 20 30 FHEDMM CCCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000825338945 608093552 /nfs/dbraw/zinc/09/35/52/608093552.db2.gz LBYWMRPBBPXJME-GQCTYLIASA-N -1 1 370.434 3.622 20 30 FHEDMM CCCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000825338945 608093553 /nfs/dbraw/zinc/09/35/53/608093553.db2.gz LBYWMRPBBPXJME-GQCTYLIASA-N -1 1 370.434 3.622 20 30 FHEDMM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401167 608093976 /nfs/dbraw/zinc/09/39/76/608093976.db2.gz RGMGAZSEWZSISD-FPLPWBNLSA-N -1 1 359.414 3.886 20 30 FHEDMM O=C(C=Cc1cccc(-c2ccccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401167 608093977 /nfs/dbraw/zinc/09/39/77/608093977.db2.gz RGMGAZSEWZSISD-FPLPWBNLSA-N -1 1 359.414 3.886 20 30 FHEDMM O=S(=O)([N-]c1cccc(N=Cc2ccccc2O)c1)c1ccccc1 ZINC000254987822 928689362 /nfs/dbraw/zinc/68/93/62/928689362.db2.gz CIWYERZHQBEOKI-UHFFFAOYSA-N -1 1 352.415 3.944 20 30 FHEDMM N#Cc1ccc(C(=O)N=c2cc(-c3ccc(Cl)s3)[n-][nH]2)cc1Cl ZINC000547978469 929691303 /nfs/dbraw/zinc/69/13/03/929691303.db2.gz OXUOIBXUZWYEMB-UHFFFAOYSA-N -1 1 363.229 3.991 20 30 FHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000610648589 933592099 /nfs/dbraw/zinc/59/20/99/933592099.db2.gz NVNDQEUWLXNJCX-UHFFFAOYSA-N -1 1 353.806 3.583 20 30 FHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000728440112 934895893 /nfs/dbraw/zinc/89/58/93/934895893.db2.gz JAVFATTWVAVKCB-UBKPWBPPSA-N -1 1 365.366 3.861 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H]2c2ccc(Cl)cc2)o1 ZINC000737467748 945072031 /nfs/dbraw/zinc/07/20/31/945072031.db2.gz SGXHDBXVUZRQRB-LBPRGKRZSA-N -1 1 357.805 3.552 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Br ZINC000427101224 945083521 /nfs/dbraw/zinc/08/35/21/945083521.db2.gz OKZGTHHIGFKBIA-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)cc1C ZINC000478707541 935682208 /nfs/dbraw/zinc/68/22/08/935682208.db2.gz ZAWHZHUBZSSKTE-UHFFFAOYSA-N -1 1 350.827 3.638 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccc(F)c3)s2)c(=O)o1 ZINC000255522350 935955360 /nfs/dbraw/zinc/95/53/60/935955360.db2.gz TXVYRKBXXFFKKS-YEODSOHDSA-N -1 1 356.374 3.782 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(C(F)(F)F)ccc2Cl)c(=O)o1 ZINC000255540087 936053478 /nfs/dbraw/zinc/05/34/78/936053478.db2.gz FHQOJQUBWHVIOW-DQWBNOTDSA-N -1 1 358.699 3.587 20 30 FHEDMM N#Cc1cccc(OCCCCC(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000582804101 936145765 /nfs/dbraw/zinc/14/57/65/936145765.db2.gz CSUJLHRWMCMBBR-UHFFFAOYSA-N -1 1 366.446 3.620 20 30 FHEDMM N#Cc1ccc(Nc2cc(F)c([O-])c(F)c2)c(I)c1 ZINC001213384327 938252265 /nfs/dbraw/zinc/25/22/65/938252265.db2.gz GMYRBIPQVPMCMC-UHFFFAOYSA-N -1 1 372.112 3.890 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3nc(C)ccc3c2)n1 ZINC000536172862 938506686 /nfs/dbraw/zinc/50/66/86/938506686.db2.gz LWKBVROGIYVQJC-AWEZNQCLSA-N -1 1 365.414 3.667 20 30 FHEDMM N#Cc1ccc(CN(C(=O)c2ccc(Br)c([O-])c2)C2CC2)cc1 ZINC000179451062 939163891 /nfs/dbraw/zinc/16/38/91/939163891.db2.gz PZUUDEKTIJSXQD-UHFFFAOYSA-N -1 1 371.234 3.831 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1[O-] ZINC000188380089 939219932 /nfs/dbraw/zinc/21/99/32/939219932.db2.gz KAYACUHADGKLLA-UHFFFAOYSA-N -1 1 363.392 3.904 20 30 FHEDMM COc1cccc(C(F)(F)C(=O)[N-][C@@H](C#N)c2ccc(Cl)cc2)c1 ZINC001267506309 940154714 /nfs/dbraw/zinc/15/47/14/940154714.db2.gz CHMVKYKCQIIQMY-HNNXBMFYSA-N -1 1 350.752 3.821 20 30 FHEDMM CCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000589019579 940360595 /nfs/dbraw/zinc/36/05/95/940360595.db2.gz WSWKUERVWDXIPT-LBPRGKRZSA-N -1 1 357.364 3.755 20 30 FHEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000413990013 940369226 /nfs/dbraw/zinc/36/92/26/940369226.db2.gz RPXONODPNBONQB-INIZCTEOSA-N -1 1 353.466 3.705 20 30 FHEDMM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nc2cc(Cl)ccc2s1 ZINC000613403780 940678750 /nfs/dbraw/zinc/67/87/50/940678750.db2.gz SZYOAHBIPVPMCJ-LBPRGKRZSA-N -1 1 370.821 3.930 20 30 FHEDMM N#CC(=C([O-])c1ccn(-c2c(F)cccc2F)n1)c1nc2ccccc2[nH]1 ZINC000175085204 940808693 /nfs/dbraw/zinc/80/86/93/940808693.db2.gz FWHHXYDWFFLZBI-LLVKDONJSA-N -1 1 363.327 3.517 20 30 FHEDMM N#Cc1ccc(C(=O)NCCOCc2ccc(Cl)cc2Cl)cc1[O-] ZINC000189150499 941147632 /nfs/dbraw/zinc/14/76/32/941147632.db2.gz MMAUXHSREWWFMA-UHFFFAOYSA-N -1 1 365.216 3.517 20 30 FHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189273940 941154331 /nfs/dbraw/zinc/15/43/31/941154331.db2.gz VQFJPKONISFSHE-UHFFFAOYSA-N -1 1 354.353 3.772 20 30 FHEDMM C=CCCCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000472709483 941615012 /nfs/dbraw/zinc/61/50/12/941615012.db2.gz YCVZTZQXOJPIAX-UHFFFAOYSA-N -1 1 358.710 3.799 20 30 FHEDMM C=CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000472717654 941628225 /nfs/dbraw/zinc/62/82/25/941628225.db2.gz TZXMDNXILOQIOZ-UHFFFAOYSA-N -1 1 358.463 3.574 20 30 FHEDMM COc1cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc(Cl)c1[O-] ZINC000416342710 942684234 /nfs/dbraw/zinc/68/42/34/942684234.db2.gz PTAVUDKBDOJIJK-INIZCTEOSA-N -1 1 356.809 3.733 20 30 FHEDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)on1 ZINC000183746846 943106695 /nfs/dbraw/zinc/10/66/95/943106695.db2.gz GLOARDZWBSPRJE-UHFFFAOYSA-N -1 1 367.858 3.582 20 30 FHEDMM CC(=Cc1cc(Br)c(Cl)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337676 943338814 /nfs/dbraw/zinc/33/88/14/943338814.db2.gz XUUDOLTZDSDOOA-ZZXKWVIFSA-N -1 1 370.659 3.988 20 30 FHEDMM CC(=Cc1ccc(Cl)c(Br)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435336961 943339383 /nfs/dbraw/zinc/33/93/83/943339383.db2.gz SAWNZAROLHZVJR-VMPITWQZSA-N -1 1 364.630 3.926 20 30 FHEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504193362 943544010 /nfs/dbraw/zinc/54/40/10/943544010.db2.gz AIGQERHZCNNNNU-HNNXBMFYSA-N -1 1 365.433 3.533 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)ccc1C#N ZINC000435728579 943572330 /nfs/dbraw/zinc/57/23/30/943572330.db2.gz NYHBQGFYHYWXON-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM C=CCCc1ccccc1NC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000504290021 943575094 /nfs/dbraw/zinc/57/50/94/943575094.db2.gz QKLOGXDCIBNCSF-UHFFFAOYSA-N -1 1 374.444 3.852 20 30 FHEDMM C=C[C@H](CCC(=O)[O-])NCc1cc(C(F)(F)F)ccc1Br ZINC000417611969 943760315 /nfs/dbraw/zinc/76/03/15/943760315.db2.gz QNNNIAIDAOCVPG-LLVKDONJSA-N -1 1 366.177 3.977 20 30 FHEDMM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)C1 ZINC000435909143 943846913 /nfs/dbraw/zinc/84/69/13/943846913.db2.gz RXYJBDRSUFOTQR-LKFCYVNXSA-N -1 1 365.257 3.883 20 30 FHEDMM CC[C@](C)(C#N)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000285342456 943966350 /nfs/dbraw/zinc/96/63/50/943966350.db2.gz ZNONWYPUSMNUHL-LJQANCHMSA-N -1 1 371.462 3.674 20 30 FHEDMM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cn1 ZINC000112222388 944550528 /nfs/dbraw/zinc/55/05/28/944550528.db2.gz KDAHRWQEUQGQEC-MRXNPFEDSA-N -1 1 355.401 3.558 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000425998902 944588277 /nfs/dbraw/zinc/58/82/77/944588277.db2.gz MEGSYZDBGABVNW-UHFFFAOYSA-N -1 1 356.447 3.896 20 30 FHEDMM C=CCCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436798380 944623986 /nfs/dbraw/zinc/62/39/86/944623986.db2.gz SXSDDAFZKVSTDF-UHFFFAOYSA-N -1 1 360.360 3.619 20 30 FHEDMM C=CCCCCCN(C)C(=O)c1cc(I)ccc1[O-] ZINC000436907707 944776309 /nfs/dbraw/zinc/77/63/09/944776309.db2.gz GYAPROBIYZQPGN-UHFFFAOYSA-N -1 1 373.234 3.815 20 30 FHEDMM C=CC[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000426794646 944817763 /nfs/dbraw/zinc/81/77/63/944817763.db2.gz VJLVQJSYJFNBPS-CQSZACIVSA-N -1 1 350.212 3.828 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](c3ccccc3)[C@@H]2C)o1 ZINC000820197760 945373692 /nfs/dbraw/zinc/37/36/92/945373692.db2.gz NLSKTGYQRISKNU-WCQYABFASA-N -1 1 351.414 3.570 20 30 FHEDMM C[C@H](NC(=O)c1csc(=NC2CC2)[n-]1)c1nc(C2CCCCC2)no1 ZINC000330236803 945416646 /nfs/dbraw/zinc/41/66/46/945416646.db2.gz UNCLFIQAVHWOJM-JTQLQIEISA-N -1 1 361.471 3.636 20 30 FHEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1sc2ccccc2c1Cl ZINC000125138043 945649521 /nfs/dbraw/zinc/64/95/21/945649521.db2.gz PNDZTEMGHCIZOX-NSHDSACASA-N -1 1 355.806 3.911 20 30 FHEDMM CC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823962943 946527307 /nfs/dbraw/zinc/52/73/07/946527307.db2.gz TUNBTRCUOZAGFD-UHFFFAOYSA-N -1 1 367.356 3.888 20 30 FHEDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccc1C ZINC000655589798 947593127 /nfs/dbraw/zinc/59/31/27/947593127.db2.gz HZZUFCHBVFLXMK-UHFFFAOYSA-N -1 1 356.447 3.800 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481970415 568202269 /nfs/dbraw/zinc/20/22/69/568202269.db2.gz QNGQASIPVMIUPP-UHFFFAOYSA-N -1 1 360.410 3.738 20 30 FHEDMM C=CCC(N=Nc1oc(C(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735409665 599284014 /nfs/dbraw/zinc/28/40/14/599284014.db2.gz HZRSFFNONNBONV-UHFFFAOYSA-N -1 1 355.377 3.510 20 30 FHEDMM Cc1ccc(C2CC(N=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)C2)cc1 ZINC000737329412 598296111 /nfs/dbraw/zinc/29/61/11/598296111.db2.gz JOSQMALKLFFTRO-UHFFFAOYSA-N -1 1 365.441 3.806 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(CC2CC2)c2ccccc2)o1 ZINC000735938618 599367214 /nfs/dbraw/zinc/36/72/14/599367214.db2.gz CCJLMTRBOHUXOY-UHFFFAOYSA-N -1 1 351.414 3.594 20 30 FHEDMM O=C([O-])c1ccc(C=NN=c2[nH]c3cc(C(F)(F)F)ccc3s2)[nH]1 ZINC000749815384 601336677 /nfs/dbraw/zinc/33/66/77/601336677.db2.gz YHMFNFRUBVNZDL-UHFFFAOYSA-N -1 1 354.313 3.787 20 30 FHEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OCC2CC2)c1 ZINC000832934357 601494762 /nfs/dbraw/zinc/49/47/62/601494762.db2.gz QEDGFFMYBPJTGW-FQEVSTJZSA-N -1 1 350.418 3.571 20 30 FHEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000832933850 601560615 /nfs/dbraw/zinc/56/06/15/601560615.db2.gz JWGFZIHOYFLXPR-IBGZPJMESA-N -1 1 352.434 3.960 20 30 FHEDMM COc1ccc(C2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)cc1 ZINC000833732806 604611365 /nfs/dbraw/zinc/61/13/65/604611365.db2.gz RYMWPTQBJQQQCM-UHFFFAOYSA-N -1 1 350.418 3.645 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(N2CCCCC2)cc1 ZINC000822923010 606389718 /nfs/dbraw/zinc/38/97/18/606389718.db2.gz MMPRTIMTGDSCTH-NTMALXAHSA-N -1 1 365.462 3.815 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1sccc1Br ZINC000822928919 606391483 /nfs/dbraw/zinc/39/14/83/606391483.db2.gz NEBAURPUEHTQAF-IWQZZHSRSA-N -1 1 367.253 3.648 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000822922931 606391855 /nfs/dbraw/zinc/39/18/55/606391855.db2.gz LCFYGSMHQMVPQW-FNORWQNLSA-N -1 1 366.324 3.723 20 30 FHEDMM C[C@H](CCc1ccccc1)CN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820219873 606433385 /nfs/dbraw/zinc/43/33/85/606433385.db2.gz KQOGTBDXQDKTKM-CYBMUJFWSA-N -1 1 367.457 3.819 20 30 FHEDMM CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(-c2nn[n-]n2)s1 ZINC000823963236 608094614 /nfs/dbraw/zinc/09/46/14/608094614.db2.gz YVSNIVLCWYHIOW-UHFFFAOYSA-N -1 1 367.463 3.888 20 30 FHEDMM C=CC[C@H]1CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000890565192 927821103 /nfs/dbraw/zinc/82/11/03/927821103.db2.gz YXZPDOYVDGOMGN-KRWDZBQOSA-N -1 1 370.474 3.586 20 30 FHEDMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)o1 ZINC000076937477 927884978 /nfs/dbraw/zinc/88/49/78/927884978.db2.gz OPMMBBMHJNGKTE-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc(C#N)c(Cl)c3)[nH][n-]2)c1 ZINC000547750002 929300711 /nfs/dbraw/zinc/30/07/11/929300711.db2.gz IWSKOZBSXQEVHI-UHFFFAOYSA-N -1 1 354.772 3.724 20 30 FHEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000255216914 930879888 /nfs/dbraw/zinc/87/98/88/930879888.db2.gz IAXBEHGHHUPLOM-HYXAFXHYSA-N -1 1 360.297 3.861 20 30 FHEDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)C(F)(F)F ZINC000581053173 931527493 /nfs/dbraw/zinc/52/74/93/931527493.db2.gz TVABJCGYCLZPIV-LBPRGKRZSA-N -1 1 368.808 3.661 20 30 FHEDMM COc1cc(-c2ccccc2)ccc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000588417908 932321780 /nfs/dbraw/zinc/32/17/80/932321780.db2.gz FZNNRLJZFSZZEI-KUFMOJEASA-N -1 1 362.381 3.590 20 30 FHEDMM COc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)c(Br)cc1O ZINC000588535107 935882206 /nfs/dbraw/zinc/88/22/06/935882206.db2.gz MTUZGQCCQRFEAH-VZUCSPMQSA-N -1 1 361.191 3.691 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000158730008 935939143 /nfs/dbraw/zinc/93/91/43/935939143.db2.gz DMQYSYMXOCIBFD-UHFFFAOYSA-N -1 1 362.410 3.590 20 30 FHEDMM CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000187925677 938454055 /nfs/dbraw/zinc/45/40/55/938454055.db2.gz LORAFUHCWAOVRX-SFHVURJKSA-N -1 1 360.417 3.611 20 30 FHEDMM N#Cc1cc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)ccc1Cl ZINC000510794316 945180830 /nfs/dbraw/zinc/18/08/30/945180830.db2.gz FUWXZQJIEYGUFI-ZDUSSCGKSA-N -1 1 366.792 3.611 20 30 FHEDMM CC[C@@H](CSc1ccc(C)c(C)c1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000583986333 938519765 /nfs/dbraw/zinc/51/97/65/938519765.db2.gz XZZQOSLXPTTWRD-AWEZNQCLSA-N -1 1 364.492 3.617 20 30 FHEDMM N#CCCn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(-c2ccccc2)n1 ZINC000588610528 938935484 /nfs/dbraw/zinc/93/54/84/938935484.db2.gz AFWOFDDEMQWCGM-ATVHPVEESA-N -1 1 355.397 3.992 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(Br)c2C)ccc1C#N ZINC000235898139 939014108 /nfs/dbraw/zinc/01/41/08/939014108.db2.gz JYFWMCDYIGKPSP-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM N#C[C@H](C(=O)C[C@@H]1C[C@H]1C1CC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000892424666 939055006 /nfs/dbraw/zinc/05/50/06/939055006.db2.gz QUWWXAVOVSFQPR-FPMFFAJLSA-N -1 1 367.474 3.888 20 30 FHEDMM N#CC(=C([O-])c1cccc(NC(=O)NC2CC2)c1)c1nc(C2CC2)cs1 ZINC000647377527 939082136 /nfs/dbraw/zinc/08/21/36/939082136.db2.gz RYNLUVOURVUZRV-HNNXBMFYSA-N -1 1 366.446 3.794 20 30 FHEDMM N#CC(=C([O-])c1cccc(NC(=O)NC2CC2)c1)c1nc(C2CC2)cs1 ZINC000647377528 939082434 /nfs/dbraw/zinc/08/24/34/939082434.db2.gz RYNLUVOURVUZRV-OAHLLOKOSA-N -1 1 366.446 3.794 20 30 FHEDMM COCCCOc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647378079 939083767 /nfs/dbraw/zinc/08/37/67/939083767.db2.gz PXDQEVDPHXYHAN-INIZCTEOSA-N -1 1 356.447 3.926 20 30 FHEDMM CCCN(CCC)c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000255764571 939175197 /nfs/dbraw/zinc/17/51/97/939175197.db2.gz AHHNGCYWPVBEJP-NHHWLVAYSA-N -1 1 355.434 3.541 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccc(F)cc3C)o2)c(=O)o1 ZINC000255780456 939226623 /nfs/dbraw/zinc/22/66/23/939226623.db2.gz ZKHALGOIMKOJIL-BQHGXPCASA-N -1 1 354.333 3.622 20 30 FHEDMM N#Cc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)c(Br)c1 ZINC000427280778 945249361 /nfs/dbraw/zinc/24/93/61/945249361.db2.gz NKZPCXWGNCSAHM-UHFFFAOYSA-N -1 1 362.252 3.986 20 30 FHEDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1-c1cccc(Cl)c1 ZINC000612623699 940185637 /nfs/dbraw/zinc/18/56/37/940185637.db2.gz HWQASRGLQPATBM-UHFFFAOYSA-N -1 1 372.837 3.711 20 30 FHEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1nc(C(F)(F)F)cs1 ZINC000188603710 940291292 /nfs/dbraw/zinc/29/12/92/940291292.db2.gz RJHJZJBSCLGOIX-SNVBAGLBSA-N -1 1 355.341 3.620 20 30 FHEDMM N#CCC[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000164163179 940496418 /nfs/dbraw/zinc/49/64/18/940496418.db2.gz GOBCCDWDKCPOHI-HNNXBMFYSA-N -1 1 359.223 3.930 20 30 FHEDMM N#C[C@@H](C(=O)c1ccc(F)s1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000659012146 941006937 /nfs/dbraw/zinc/00/69/37/941006937.db2.gz QALMEPJWTFUIET-VIFPVBQESA-N -1 1 373.434 3.966 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@H](c2cccc(Cl)c2)c2ccccn2)cc1[O-] ZINC000188759381 941077083 /nfs/dbraw/zinc/07/70/83/941077083.db2.gz PALUVLZCOJGHML-LJQANCHMSA-N -1 1 363.804 3.832 20 30 FHEDMM C=CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000472695323 941591581 /nfs/dbraw/zinc/59/15/81/941591581.db2.gz AHPOAFUEHYUXTG-UHFFFAOYSA-N -1 1 372.490 3.882 20 30 FHEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000892977024 941830843 /nfs/dbraw/zinc/83/08/43/941830843.db2.gz MFPDWCIJRMDMOP-HNNXBMFYSA-N -1 1 373.840 3.726 20 30 FHEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000783080742 942311641 /nfs/dbraw/zinc/31/16/41/942311641.db2.gz PIYADFLXCPZRLH-CQSZACIVSA-N -1 1 372.446 3.628 20 30 FHEDMM C[C@H](c1ccccc1Br)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190157694 942833715 /nfs/dbraw/zinc/83/37/15/942833715.db2.gz PHTIEZYSKRUZHP-LLVKDONJSA-N -1 1 359.223 3.860 20 30 FHEDMM C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc([O-])cc1 ZINC000514800434 943300100 /nfs/dbraw/zinc/30/01/00/943300100.db2.gz PNNQBEAACJZGGK-UHFFFAOYSA-N -1 1 365.458 3.736 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504062894 943484746 /nfs/dbraw/zinc/48/47/46/943484746.db2.gz VMFSDDDTFTXYJN-UHFFFAOYSA-N -1 1 372.780 3.922 20 30 FHEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504193363 943544119 /nfs/dbraw/zinc/54/41/19/943544119.db2.gz AIGQERHZCNNNNU-OAHLLOKOSA-N -1 1 365.433 3.533 20 30 FHEDMM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436545877 944422818 /nfs/dbraw/zinc/42/28/18/944422818.db2.gz NLIDHABODLHOIJ-UHFFFAOYSA-N -1 1 354.381 3.598 20 30 FHEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000439251756 944485715 /nfs/dbraw/zinc/48/57/15/944485715.db2.gz WZYMMNFLZXGWMV-UHFFFAOYSA-N -1 1 373.331 3.559 20 30 FHEDMM CCCCCCOc1cccc(C=CC(=O)c2c([O-])cc(C)oc2=O)c1 ZINC000140186519 944521466 /nfs/dbraw/zinc/52/14/66/944521466.db2.gz NSDCWBMQZZXXIL-CTDFXDFQSA-N -1 1 356.418 3.874 20 30 FHEDMM Cc1cc(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc(C)c1F ZINC000735450979 944661891 /nfs/dbraw/zinc/66/18/91/944661891.db2.gz LWQAOCNPIJPTCS-UHFFFAOYSA-N -1 1 357.393 3.570 20 30 FHEDMM COCCOc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436836929 944685256 /nfs/dbraw/zinc/68/52/56/944685256.db2.gz DWMKTKTWJHPBOY-UHFFFAOYSA-N -1 1 354.406 3.665 20 30 FHEDMM N#Cc1cccc(-n2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)n2)c1 ZINC000436872462 944741124 /nfs/dbraw/zinc/74/11/24/944741124.db2.gz MYYPIMOIZJULFU-UHFFFAOYSA-N -1 1 363.764 3.820 20 30 FHEDMM CC#CCCCc1nc(-c2cc(Br)c([O-])c(OCC)c2)no1 ZINC000436873937 944741211 /nfs/dbraw/zinc/74/12/11/944741211.db2.gz RFESBQRLIMATPK-UHFFFAOYSA-N -1 1 365.227 3.949 20 30 FHEDMM COc1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c([O-])c1 ZINC000436938581 944827059 /nfs/dbraw/zinc/82/70/59/944827059.db2.gz JUGHQROGMDDTOA-UHFFFAOYSA-N -1 1 361.357 3.712 20 30 FHEDMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1-c1cccc(C#N)c1 ZINC000436979662 944870803 /nfs/dbraw/zinc/87/08/03/944870803.db2.gz KXVCXHALVNMMNY-UHFFFAOYSA-N -1 1 352.781 3.664 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000438754612 944992144 /nfs/dbraw/zinc/99/21/44/944992144.db2.gz CYVBXIUMGOCQFR-UHFFFAOYSA-N -1 1 373.478 3.806 20 30 FHEDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)ccc2O1 ZINC000440291118 945379276 /nfs/dbraw/zinc/37/92/76/945379276.db2.gz DGQXIWLQHXISKF-UHFFFAOYSA-N -1 1 362.838 3.726 20 30 FHEDMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000432214523 945529524 /nfs/dbraw/zinc/52/95/24/945529524.db2.gz BUNAHNUNSNGSSP-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444076385 945805456 /nfs/dbraw/zinc/80/54/56/945805456.db2.gz QIUQRPKBAYSSLX-LURJTMIESA-N -1 1 359.072 3.609 20 30 FHEDMM CC(=O)N(c1nc(/C=C/C(=O)c2c(C)cc(C)cc2[O-])cs1)C1CC1 ZINC000281819196 945869550 /nfs/dbraw/zinc/86/95/50/945869550.db2.gz GQJMGTBAHYDOGD-QPJJXVBHSA-N -1 1 356.447 3.877 20 30 FHEDMM N#Cc1ccc(C2(C(=O)N=c3cc(-c4ccc(Cl)s4)[n-][nH]3)CC2)cc1 ZINC000444257084 946139620 /nfs/dbraw/zinc/13/96/20/946139620.db2.gz CJWFXJJIUNIDBT-UHFFFAOYSA-N -1 1 368.849 3.755 20 30 FHEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)cs1 ZINC000018895437 946264027 /nfs/dbraw/zinc/26/40/27/946264027.db2.gz IKQPNDPOFNBCJW-UHFFFAOYSA-N -1 1 355.444 3.791 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(C)(C)C)cc2)n1 ZINC000432228508 946270155 /nfs/dbraw/zinc/27/01/55/946270155.db2.gz JYTPMNIWEHIGDS-AWEZNQCLSA-N -1 1 372.446 3.987 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2F)o1 ZINC000520442963 947294421 /nfs/dbraw/zinc/29/44/21/947294421.db2.gz KSMUMCAXOYBQQK-SFHVURJKSA-N -1 1 370.405 3.553 20 30 FHEDMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1OCCC ZINC000016096007 947685074 /nfs/dbraw/zinc/68/50/74/947685074.db2.gz POBYOGFHRRZJJM-UHFFFAOYSA-N -1 1 374.462 3.937 20 30 FHEDMM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000408338961 948491649 /nfs/dbraw/zinc/49/16/49/948491649.db2.gz NKSFQUOHAKVDFV-WRWORJQWSA-N -1 1 353.658 3.617 20 30 FHEDMM N#Cc1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c(Cl)c1 ZINC000097577866 210100281 /nfs/dbraw/zinc/10/02/81/210100281.db2.gz UOISMWFBQLBKSY-UHFFFAOYSA-N -1 1 363.764 3.838 20 30 FHEDMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1C ZINC000481942108 568195010 /nfs/dbraw/zinc/19/50/10/568195010.db2.gz IUUPUVFIHNGVAW-UHFFFAOYSA-N -1 1 350.827 3.638 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481960022 568196936 /nfs/dbraw/zinc/19/69/36/568196936.db2.gz BLCRCJHDIDBWGO-UHFFFAOYSA-N -1 1 360.410 3.738 20 30 FHEDMM N#Cc1cccc(COc2cccc(NC(=O)C(=O)c3ccc([O-])cc3)c2)c1 ZINC000436665670 568260593 /nfs/dbraw/zinc/26/05/93/568260593.db2.gz RVJHHMIAWUDIEQ-UHFFFAOYSA-N -1 1 372.380 3.664 20 30 FHEDMM N#Cc1ccc(OC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)c(F)c1 ZINC000436665492 568264348 /nfs/dbraw/zinc/26/43/48/568264348.db2.gz PBAZMJMMMWNLEZ-UHFFFAOYSA-N -1 1 374.799 3.740 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(C)C)cc2)n1 ZINC000604433346 568286579 /nfs/dbraw/zinc/28/65/79/568286579.db2.gz JBGPQHMNHWBKKC-AWEZNQCLSA-N -1 1 358.419 3.597 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2c2ccccc2)o1 ZINC000735657071 598741288 /nfs/dbraw/zinc/74/12/88/598741288.db2.gz OIDGIOUWXORUDS-CYBMUJFWSA-N -1 1 365.441 3.888 20 30 FHEDMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1Br ZINC000736662904 600590086 /nfs/dbraw/zinc/59/00/86/600590086.db2.gz UQDZZBIPAGLWEM-MEDUHNTESA-N -1 1 359.223 3.797 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H](C)CCc2ccccc2)o1 ZINC000820107706 606433664 /nfs/dbraw/zinc/43/36/64/606433664.db2.gz ADGRYYORBCPLFS-AWEZNQCLSA-N -1 1 367.457 3.720 20 30 FHEDMM Cc1ccc(OC(F)F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822259429 606820945 /nfs/dbraw/zinc/82/09/45/606820945.db2.gz WWDMXPSKDDUOGR-HWKANZROSA-N -1 1 362.361 3.734 20 30 FHEDMM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825418187 608091647 /nfs/dbraw/zinc/09/16/47/608091647.db2.gz YFTJXHPQMYKABZ-YFHOEESVSA-N -1 1 353.451 3.671 20 30 FHEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc(Cl)c2O1 ZINC000134449160 928915021 /nfs/dbraw/zinc/91/50/21/928915021.db2.gz NENAYPWFIQZELJ-NSHDSACASA-N -1 1 362.838 3.530 20 30 FHEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000123507372 929063039 /nfs/dbraw/zinc/06/30/39/929063039.db2.gz KOKNLRBZASFPSH-ZCFIWIBFSA-N -1 1 359.072 3.609 20 30 FHEDMM CCc1occc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000430527992 931368156 /nfs/dbraw/zinc/36/81/56/931368156.db2.gz WAUALJWMHLXCRB-LBPRGKRZSA-N -1 1 367.430 3.921 20 30 FHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000176040784 932892222 /nfs/dbraw/zinc/89/22/22/932892222.db2.gz PVPHPLWIHYCHDP-SFHVURJKSA-N -1 1 372.446 3.501 20 30 FHEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)c1 ZINC000021876971 932906586 /nfs/dbraw/zinc/90/65/86/932906586.db2.gz JYFIAYSTZLIPSY-UHFFFAOYSA-N -1 1 372.490 3.746 20 30 FHEDMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000431192231 934132658 /nfs/dbraw/zinc/13/26/58/934132658.db2.gz GJJUSKDHNNXMDA-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@H]2CCCc3cc(OC(F)F)ccc32)cc1[O-] ZINC000187669912 934158938 /nfs/dbraw/zinc/15/89/38/934158938.db2.gz VJJODOSXFFBZMM-INIZCTEOSA-N -1 1 358.344 3.673 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1 ZINC000227591500 935622951 /nfs/dbraw/zinc/62/29/51/935622951.db2.gz UWQNRBBZOLDYRL-UHFFFAOYSA-N -1 1 371.643 3.775 20 30 FHEDMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427202368 945172655 /nfs/dbraw/zinc/17/26/55/945172655.db2.gz BQWOMYNNAZKPGK-UHFFFAOYSA-N -1 1 367.405 3.869 20 30 FHEDMM N#CCCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000431626668 939023278 /nfs/dbraw/zinc/02/32/78/939023278.db2.gz WSRSOXMDAHQSGW-MRXNPFEDSA-N -1 1 368.380 3.817 20 30 FHEDMM C#CCCCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000179749540 939930881 /nfs/dbraw/zinc/93/08/81/939930881.db2.gz HXMLPPGCQUGELQ-UHFFFAOYSA-N -1 1 356.447 3.620 20 30 FHEDMM CC(C)c1csc([C@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)n1 ZINC000188549785 940071992 /nfs/dbraw/zinc/07/19/92/940071992.db2.gz OJFYCXYKDVSBKT-HNNXBMFYSA-N -1 1 355.463 3.864 20 30 FHEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nccnc2SC)cc1 ZINC000892501884 940116855 /nfs/dbraw/zinc/11/68/55/940116855.db2.gz RVOOUFXDZVPVDE-SWLSCSKDSA-N -1 1 368.462 3.673 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CCC2)o1 ZINC000580344577 940473406 /nfs/dbraw/zinc/47/34/06/940473406.db2.gz MUTZEHDLIMOCSW-UHFFFAOYSA-N -1 1 370.352 3.528 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c1 ZINC000174772222 940774273 /nfs/dbraw/zinc/77/42/73/940774273.db2.gz WRCGNQOVPQTFJY-UHFFFAOYSA-N -1 1 351.387 3.546 20 30 FHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OCC2CC2)c(F)c1 ZINC000188739171 941072599 /nfs/dbraw/zinc/07/25/99/941072599.db2.gz HSVFFIBMUQZXLV-LBPRGKRZSA-N -1 1 354.381 3.683 20 30 FHEDMM N#Cc1ccc(N2CCN(Cc3cccc([O-])c3Cl)CC2)c(Cl)c1 ZINC000513268432 941823649 /nfs/dbraw/zinc/82/36/49/941823649.db2.gz WFWXNSCWIXHHRM-UHFFFAOYSA-N -1 1 362.260 3.893 20 30 FHEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Cl ZINC000513356337 941873392 /nfs/dbraw/zinc/87/33/92/941873392.db2.gz DSYVMPXLSNAAOS-UHFFFAOYSA-N -1 1 350.827 3.720 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000513408349 941902019 /nfs/dbraw/zinc/90/20/19/941902019.db2.gz MIJASTNUDIUVKB-UHFFFAOYSA-N -1 1 355.463 3.658 20 30 FHEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(F)cc1 ZINC000041494463 942404692 /nfs/dbraw/zinc/40/46/92/942404692.db2.gz SSTVMNCWIXUNSB-HNNXBMFYSA-N -1 1 359.364 3.686 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)ccc1C#N ZINC000435731689 943574877 /nfs/dbraw/zinc/57/48/77/943574877.db2.gz LFWOBZIORACSPS-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(OC(C)C)c(F)c2)ccc1C#N ZINC000435725927 943582104 /nfs/dbraw/zinc/58/21/04/943582104.db2.gz JVBJYVAJNRAKHP-UHFFFAOYSA-N -1 1 366.389 3.733 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)ccc1C#N ZINC000435725358 943582319 /nfs/dbraw/zinc/58/23/19/943582319.db2.gz XHYBOKIWQJWZCV-UHFFFAOYSA-N -1 1 354.353 3.995 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1[O-] ZINC000515324311 943790232 /nfs/dbraw/zinc/79/02/32/943790232.db2.gz MYBBNFDTPSBDFA-UHFFFAOYSA-N -1 1 363.392 3.904 20 30 FHEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c2cccnc12 ZINC000515452476 943889729 /nfs/dbraw/zinc/88/97/29/943889729.db2.gz HOSYKJXKPZUXFD-UHFFFAOYSA-N -1 1 373.821 3.569 20 30 FHEDMM N#C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC000436555559 944413626 /nfs/dbraw/zinc/41/36/26/944413626.db2.gz OXQISKCJUHLPSJ-ZDUSSCGKSA-N -1 1 365.614 3.803 20 30 FHEDMM CCO[C@H]1CC(N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)C12CCCCC2 ZINC000736619785 944855888 /nfs/dbraw/zinc/85/58/88/944855888.db2.gz ZOBCHYPYRFHWBU-ZDUSSCGKSA-N -1 1 373.461 3.505 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000438763131 945001058 /nfs/dbraw/zinc/00/10/58/945001058.db2.gz JAMPFARMCQPMHX-UHFFFAOYSA-N -1 1 373.478 3.806 20 30 FHEDMM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1ccc(C(F)(F)F)cn1 ZINC000519024017 945037268 /nfs/dbraw/zinc/03/72/68/945037268.db2.gz CJHCHPKFWAKIFH-NSHDSACASA-N -1 1 352.337 3.725 20 30 FHEDMM C[C@@H]1C(N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)C[C@H]1c1ccccc1 ZINC000820643012 945506489 /nfs/dbraw/zinc/50/64/89/945506489.db2.gz OPRPAFBBTZBOKL-WCQYABFASA-N -1 1 365.441 3.744 20 30 FHEDMM Cc1nc(-c2ccc(N[C@@H](CCC#N)c3ccccc3)nc2)[n-]c(=O)c1C ZINC000164303970 945664923 /nfs/dbraw/zinc/66/49/23/945664923.db2.gz UYYKHJSAQNCQKZ-SFHVURJKSA-N -1 1 359.433 3.906 20 30 FHEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)c([O-])c1 ZINC000123967328 945918255 /nfs/dbraw/zinc/91/82/55/945918255.db2.gz ZBWMGQAAJQBHRK-UHFFFAOYSA-N -1 1 371.234 3.855 20 30 FHEDMM Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1 ZINC000102321011 946711147 /nfs/dbraw/zinc/71/11/47/946711147.db2.gz JCLSXCMHHIQYRL-UHFFFAOYSA-N -1 1 355.444 3.791 20 30 FHEDMM O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1cncc([O-])c1 ZINC000328817005 947035688 /nfs/dbraw/zinc/03/56/88/947035688.db2.gz OUQFXDVEHSXJSK-HNNXBMFYSA-N -1 1 372.425 3.576 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3cccs3)cc2F)c(=O)o1 ZINC000125784406 947802039 /nfs/dbraw/zinc/80/20/39/947802039.db2.gz JEJRSTHZLYHIAV-DKFQHHCZSA-N -1 1 356.374 3.782 20 30 FHEDMM CCCCCCC[C@@H](C)CNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000729525006 948744946 /nfs/dbraw/zinc/74/49/46/948744946.db2.gz ZFBVWCYFEAZYQU-CQSZACIVSA-N -1 1 360.502 3.707 20 30 FHEDMM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC000063476037 221141549 /nfs/dbraw/zinc/14/15/49/221141549.db2.gz BEIWWNOQAUVVFO-UHFFFAOYSA-N -1 1 353.447 3.970 20 30 FHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)ccc1Cl ZINC000481958396 568196907 /nfs/dbraw/zinc/19/69/07/568196907.db2.gz JJRRVRKACKHMMD-UHFFFAOYSA-N -1 1 372.780 3.656 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1Cl ZINC000481977470 568210791 /nfs/dbraw/zinc/21/07/91/568210791.db2.gz XNIXZFNIKRYVQU-UHFFFAOYSA-N -1 1 372.780 3.656 20 30 FHEDMM C=CCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735409670 599284697 /nfs/dbraw/zinc/28/46/97/599284697.db2.gz ICKQHEJEVIEXNS-UHFFFAOYSA-N -1 1 369.404 3.585 20 30 FHEDMM CCC(Cc1cccs1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736348709 598491883 /nfs/dbraw/zinc/49/18/83/598491883.db2.gz BPJWXFNRHBJVRJ-UHFFFAOYSA-N -1 1 359.459 3.634 20 30 FHEDMM CCc1csc([C@H]2CCCN(Cc3cccc(C(=O)[O-])c3C#N)C2)n1 ZINC000833676423 604607829 /nfs/dbraw/zinc/60/78/29/604607829.db2.gz LCRCGPCGOFRBTQ-AWEZNQCLSA-N -1 1 355.463 3.655 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2c3cccc(F)c3CC[C@@H]2C)o1 ZINC000820728851 606237677 /nfs/dbraw/zinc/23/76/77/606237677.db2.gz ZLYBGHHKAPELNU-JTQLQIEISA-N -1 1 369.404 3.516 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Br)cc1 ZINC000822924258 606388358 /nfs/dbraw/zinc/38/83/58/606388358.db2.gz ZOSJWMYSPGDIKJ-FNORWQNLSA-N -1 1 361.224 3.587 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(-c2ccncc2)c1 ZINC000822923795 606392575 /nfs/dbraw/zinc/39/25/75/606392575.db2.gz UPSNIEXWBKJQHT-GQCTYLIASA-N -1 1 359.414 3.886 20 30 FHEDMM C=C[C@@H](C)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000819729785 606813767 /nfs/dbraw/zinc/81/37/67/606813767.db2.gz MTAPAQONGUIGMT-LLVKDONJSA-N -1 1 369.812 3.617 20 30 FHEDMM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400279 608092783 /nfs/dbraw/zinc/09/27/83/608092783.db2.gz UUXRFNASKITTAQ-HNQUOIGGSA-N -1 1 367.253 3.648 20 30 FHEDMM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2O1 ZINC000824813273 608091716 /nfs/dbraw/zinc/09/17/16/608091716.db2.gz XCVWDVRYUUHTHX-HYXAFXHYSA-N -1 1 352.419 3.538 20 30 FHEDMM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2O1 ZINC000824813273 608091717 /nfs/dbraw/zinc/09/17/17/608091717.db2.gz XCVWDVRYUUHTHX-HYXAFXHYSA-N -1 1 352.419 3.538 20 30 FHEDMM COc1cccc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)oc21 ZINC000826218203 608092572 /nfs/dbraw/zinc/09/25/72/608092572.db2.gz STWMENFQPOVSKU-AATRIKPKSA-N -1 1 352.375 3.579 20 30 FHEDMM COc1cccc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)oc21 ZINC000826218203 608092573 /nfs/dbraw/zinc/09/25/73/608092573.db2.gz STWMENFQPOVSKU-AATRIKPKSA-N -1 1 352.375 3.579 20 30 FHEDMM O=C(C=Cc1ccc(Br)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400279 608092782 /nfs/dbraw/zinc/09/27/82/608092782.db2.gz UUXRFNASKITTAQ-HNQUOIGGSA-N -1 1 367.253 3.648 20 30 FHEDMM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400014 608092965 /nfs/dbraw/zinc/09/29/65/608092965.db2.gz MURWOLRGCSTDFN-UPHRSURJSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400014 608092966 /nfs/dbraw/zinc/09/29/66/608092966.db2.gz MURWOLRGCSTDFN-UPHRSURJSA-N -1 1 368.315 3.982 20 30 FHEDMM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826381610 608093671 /nfs/dbraw/zinc/09/36/71/608093671.db2.gz RRJNHGXZWZGZRH-VOTSOKGWSA-N -1 1 365.418 3.507 20 30 FHEDMM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826381610 608093672 /nfs/dbraw/zinc/09/36/72/608093672.db2.gz RRJNHGXZWZGZRH-VOTSOKGWSA-N -1 1 365.418 3.507 20 30 FHEDMM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826399640 608093833 /nfs/dbraw/zinc/09/38/33/608093833.db2.gz BASCHWCNVYZHSY-DAFODLJHSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1cc(C(F)(F)F)ccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826399640 608093834 /nfs/dbraw/zinc/09/38/34/608093834.db2.gz BASCHWCNVYZHSY-DAFODLJHSA-N -1 1 368.315 3.982 20 30 FHEDMM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000826395844 608288727 /nfs/dbraw/zinc/28/87/27/608288727.db2.gz VDZJQOXWFTYCDJ-IWQZZHSRSA-N -1 1 366.233 3.713 20 30 FHEDMM CC(Cc1ccc(Cl)cc1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000824457011 608289015 /nfs/dbraw/zinc/28/90/15/608289015.db2.gz CKYIVLCBEYNLRP-UHFFFAOYSA-N -1 1 373.848 3.836 20 30 FHEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)cs1 ZINC000005089962 936348056 /nfs/dbraw/zinc/34/80/56/936348056.db2.gz HPGPSNZLLVBVAL-UHFFFAOYSA-N -1 1 355.444 3.791 20 30 FHEDMM CCOC(=O)c1sc([N-]C(=O)c2c(F)cccc2F)c(C#N)c1C ZINC000005145232 937088844 /nfs/dbraw/zinc/08/88/44/937088844.db2.gz FQVIFFJJTBFESN-UHFFFAOYSA-N -1 1 350.346 3.635 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1Cl ZINC000157724856 928686417 /nfs/dbraw/zinc/68/64/17/928686417.db2.gz AWNAOTOOYOFBRS-UHFFFAOYSA-N -1 1 359.794 3.667 20 30 FHEDMM Cc1sc2[n-]c([C@H](C#N)C(=O)Nc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000179459478 928767363 /nfs/dbraw/zinc/76/73/63/928767363.db2.gz ZEIIEDHQCWRUKQ-LBPRGKRZSA-N -1 1 372.837 3.501 20 30 FHEDMM N#CC1(CC(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000834476453 930180898 /nfs/dbraw/zinc/18/08/98/930180898.db2.gz YWHOLXHLUYDLML-UHFFFAOYSA-N -1 1 351.244 3.635 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCCCC#N)ccc2C)cc1 ZINC000044949199 930193249 /nfs/dbraw/zinc/19/32/49/930193249.db2.gz GHRZIGOQQWGNDH-UHFFFAOYSA-N -1 1 372.446 3.565 20 30 FHEDMM CCc1c(NC(=O)c2cc([O-])cc(C#N)c2)cnn1-c1ccccc1Cl ZINC000616696330 930283997 /nfs/dbraw/zinc/28/39/97/930283997.db2.gz UJLJYTMZNMRLIY-UHFFFAOYSA-N -1 1 366.808 3.918 20 30 FHEDMM C=CC[S@](=O)(=NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000891376766 931950602 /nfs/dbraw/zinc/95/06/02/931950602.db2.gz NFTJVZMHWLDUOV-AREMUKBSSA-N -1 1 373.478 3.641 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1Br ZINC000431180789 934029920 /nfs/dbraw/zinc/02/99/20/934029920.db2.gz IIZHUQKUXCEQIQ-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM C=CCC1([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CCOCC1 ZINC000657129161 934130465 /nfs/dbraw/zinc/13/04/65/934130465.db2.gz FOIIHRAJCSUMDK-UHFFFAOYSA-N -1 1 371.911 3.958 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447792772 935290771 /nfs/dbraw/zinc/29/07/71/935290771.db2.gz ZKZVYRARPVROAO-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1F ZINC000427112446 945097429 /nfs/dbraw/zinc/09/74/29/945097429.db2.gz ASQSDHPIZIDBCN-UHFFFAOYSA-N -1 1 360.410 3.820 20 30 FHEDMM N#CCCn1cc(/C=C\C(=O)c2cc(O)ccc2[O-])c(-c2ccccc2)n1 ZINC000588610477 938935452 /nfs/dbraw/zinc/93/54/52/938935452.db2.gz OWPSMOGCHMMDNI-CLFYSBASSA-N -1 1 359.385 3.771 20 30 FHEDMM N#Cc1ccc(NC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000685662083 939009985 /nfs/dbraw/zinc/00/99/85/939009985.db2.gz MBNSRJVUJXTMSX-UHFFFAOYSA-N -1 1 367.380 3.530 20 30 FHEDMM COCCCOc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647378080 939083693 /nfs/dbraw/zinc/08/36/93/939083693.db2.gz PXDQEVDPHXYHAN-MRXNPFEDSA-N -1 1 356.447 3.926 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@H](c3ccccc3)[C@@H]2C)o1 ZINC000820109018 945353382 /nfs/dbraw/zinc/35/33/82/945353382.db2.gz ZOQDPYNGBBOXHR-JSGCOSHPSA-N -1 1 365.441 3.645 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1[O-] ZINC000189011734 941141270 /nfs/dbraw/zinc/14/12/70/941141270.db2.gz NAPQQGGFQFGMTE-UHFFFAOYSA-N -1 1 356.809 3.601 20 30 FHEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1F ZINC000177621231 941142381 /nfs/dbraw/zinc/14/23/81/941142381.db2.gz BAOUOKKGCQWJFE-UHFFFAOYSA-N -1 1 374.315 3.526 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)cc1[O-] ZINC000189086732 941145286 /nfs/dbraw/zinc/14/52/86/941145286.db2.gz IAPIEJVBNSERQP-CQSZACIVSA-N -1 1 352.287 3.826 20 30 FHEDMM C=C[C@@H](CCC(=O)[O-])NCc1cc(OC(F)F)ccc1Br ZINC000647646679 941222274 /nfs/dbraw/zinc/22/22/74/941222274.db2.gz IUGHSLKUOKQFSH-JTQLQIEISA-N -1 1 364.186 3.560 20 30 FHEDMM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000659801156 941404721 /nfs/dbraw/zinc/40/47/21/941404721.db2.gz ASAFBUWORXPUCZ-TYNCELHUSA-N -1 1 354.219 3.897 20 30 FHEDMM C=CCCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000472715096 941623551 /nfs/dbraw/zinc/62/35/51/941623551.db2.gz RBNPWWHCAFJUCH-UHFFFAOYSA-N -1 1 370.671 3.876 20 30 FHEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1 ZINC000460830261 942162074 /nfs/dbraw/zinc/16/20/74/942162074.db2.gz HMTWLNGPQOQEJA-UHFFFAOYSA-N -1 1 372.490 3.701 20 30 FHEDMM Cc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000046706956 942171415 /nfs/dbraw/zinc/17/14/15/942171415.db2.gz NHKDIDOSIJYYGV-LLVKDONJSA-N -1 1 369.471 3.723 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)cc1 ZINC000183146817 942183505 /nfs/dbraw/zinc/18/35/05/942183505.db2.gz ZNJKJQFZKIILGX-UHFFFAOYSA-N -1 1 358.753 3.614 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1 ZINC000505294284 942451532 /nfs/dbraw/zinc/45/15/32/942451532.db2.gz SPIIFBHFWGQFLG-UHFFFAOYSA-N -1 1 351.387 3.546 20 30 FHEDMM N#CC(=C([O-])c1ccnn1CC(F)F)c1nc(-c2ccccc2)cs1 ZINC000434620872 942792496 /nfs/dbraw/zinc/79/24/96/942792496.db2.gz MPSUWPBWFQEXHX-LBPRGKRZSA-N -1 1 358.373 3.762 20 30 FHEDMM N#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CCCCC1 ZINC000318647930 943016658 /nfs/dbraw/zinc/01/66/58/943016658.db2.gz WCVOIKPBXSDGOI-NSHDSACASA-N -1 1 365.257 3.883 20 30 FHEDMM Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc(C#N)s3)[nH]n2)cc1C ZINC000435483952 943441222 /nfs/dbraw/zinc/44/12/22/943441222.db2.gz NGSSUOFTKGHDNF-UHFFFAOYSA-N -1 1 372.475 3.736 20 30 FHEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc(OC)c1C(C)C ZINC000435717752 943578037 /nfs/dbraw/zinc/57/80/37/943578037.db2.gz RAEDVPCWHMRCRJ-UHFFFAOYSA-N -1 1 374.462 3.808 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)ccc1C#N ZINC000435718679 943578638 /nfs/dbraw/zinc/57/86/38/943578638.db2.gz YGRHAAQMYZEENB-UHFFFAOYSA-N -1 1 372.780 3.922 20 30 FHEDMM N#C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1Cl ZINC000436551426 944411188 /nfs/dbraw/zinc/41/11/88/944411188.db2.gz YUZUKFFHQHZUHD-ZDUSSCGKSA-N -1 1 365.614 3.803 20 30 FHEDMM N#C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccc(Cl)cc1 ZINC000436555556 944413704 /nfs/dbraw/zinc/41/37/04/944413704.db2.gz OXQISKCJUHLPSJ-CYBMUJFWSA-N -1 1 365.614 3.803 20 30 FHEDMM N#Cc1cscc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436540123 944418760 /nfs/dbraw/zinc/41/87/60/944418760.db2.gz NRLRCXZBACYONG-UHFFFAOYSA-N -1 1 369.446 3.640 20 30 FHEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000473779236 944442497 /nfs/dbraw/zinc/44/24/97/944442497.db2.gz XZVOEFWJPLMNCW-UHFFFAOYSA-N -1 1 372.490 3.747 20 30 FHEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436630501 944470940 /nfs/dbraw/zinc/47/09/40/944470940.db2.gz ODSRXIQSHZWNMA-UHFFFAOYSA-N -1 1 369.339 3.715 20 30 FHEDMM N#C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(Br)cc1 ZINC000436758699 944581427 /nfs/dbraw/zinc/58/14/27/944581427.db2.gz NKFAQQABEYMFRR-CYBMUJFWSA-N -1 1 365.614 3.803 20 30 FHEDMM Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c([O-])c1 ZINC000436787199 944632381 /nfs/dbraw/zinc/63/23/81/944632381.db2.gz NEXUIXKYMQIESB-UHFFFAOYSA-N -1 1 350.296 3.766 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)cc1 ZINC000517806247 944655892 /nfs/dbraw/zinc/65/58/92/944655892.db2.gz AKNZJXMFBAVVFN-UHFFFAOYSA-N -1 1 357.822 3.803 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OCC(C)C)cc2)n1 ZINC000516346387 944753153 /nfs/dbraw/zinc/75/31/53/944753153.db2.gz HSYSJLVQDLSCTG-OAHLLOKOSA-N -1 1 372.446 3.845 20 30 FHEDMM C=CC[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)C(=O)[O-] ZINC000426794645 944817829 /nfs/dbraw/zinc/81/78/29/944817829.db2.gz VJLVQJSYJFNBPS-AWEZNQCLSA-N -1 1 350.212 3.828 20 30 FHEDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000438790143 945031163 /nfs/dbraw/zinc/03/11/63/945031163.db2.gz KCVWSAWOBUSZCJ-UHFFFAOYSA-N -1 1 362.838 3.851 20 30 FHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc4c3CC[C@@H](C)C4)nc1-2 ZINC000330252218 945426670 /nfs/dbraw/zinc/42/66/70/945426670.db2.gz OFBZBNFTYIKJMF-MFKMUULPSA-N -1 1 350.447 3.943 20 30 FHEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccccc1C ZINC000048813435 945796301 /nfs/dbraw/zinc/79/63/01/945796301.db2.gz YWULLYOSYJMPEY-OAHLLOKOSA-N -1 1 355.401 3.856 20 30 FHEDMM C=CCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000469893128 946389205 /nfs/dbraw/zinc/38/92/05/946389205.db2.gz YUUVOJXJWXUTPR-UHFFFAOYSA-N -1 1 372.490 3.752 20 30 FHEDMM C=CCCC[C@H](C(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001573334770 947464288 /nfs/dbraw/zinc/46/42/88/947464288.db2.gz IHHJWSPEBSWHAW-AWEZNQCLSA-N -1 1 368.466 3.710 20 30 FHEDMM C=CCCC[C@H](C(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001573334770 947464295 /nfs/dbraw/zinc/46/42/95/947464295.db2.gz IHHJWSPEBSWHAW-AWEZNQCLSA-N -1 1 368.466 3.710 20 30 FHEDMM C=CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)C ZINC000728868894 947835470 /nfs/dbraw/zinc/83/54/70/947835470.db2.gz SNYZSGSOMUKHDE-UHFFFAOYSA-N -1 1 358.463 3.524 20 30 FHEDMM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000408338959 948491639 /nfs/dbraw/zinc/49/16/39/948491639.db2.gz NKSFQUOHAKVDFV-HQJQHLMTSA-N -1 1 353.658 3.617 20 30 FHEDMM Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449513 948808355 /nfs/dbraw/zinc/80/83/55/948808355.db2.gz VAPIMKDNQYHVGX-UHFFFAOYSA-N -1 1 371.828 3.608 20 30 FHEDMM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2[nH]1 ZINC000098068708 222225572 /nfs/dbraw/zinc/22/55/72/222225572.db2.gz HXBRCLRIVKDABU-UHFFFAOYSA-N -1 1 354.435 3.533 20 30 FHEDMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000603416827 568098622 /nfs/dbraw/zinc/09/86/22/568098622.db2.gz AUNJHZKONHAQNV-UKPHBRMFSA-N -1 1 368.524 3.638 20 30 FHEDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)ccc2O1 ZINC000481959899 568196964 /nfs/dbraw/zinc/19/69/64/568196964.db2.gz ISBUEXZXPIYYTB-UHFFFAOYSA-N -1 1 362.838 3.726 20 30 FHEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000481966432 568200392 /nfs/dbraw/zinc/20/03/92/568200392.db2.gz UAWLPGMWRVZCLO-UHFFFAOYSA-N -1 1 350.827 3.720 20 30 FHEDMM C=CCn1c(SCC(=O)c2ccc([O-])cc2)nnc1-c1ccc(F)cc1 ZINC000007737062 568252604 /nfs/dbraw/zinc/25/26/04/568252604.db2.gz IOXKARJLPMKZFJ-UHFFFAOYSA-N -1 1 369.421 3.951 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c(F)c1 ZINC000570010018 568449418 /nfs/dbraw/zinc/44/94/18/568449418.db2.gz KXWXDMSUSMOHJV-UHFFFAOYSA-N -1 1 360.341 3.897 20 30 FHEDMM Cc1cc(C(F)(F)F)c(-c2nn[n-]n2)c(SCCC(C)(C)C#N)n1 ZINC000737243597 599067755 /nfs/dbraw/zinc/06/77/55/599067755.db2.gz APTPDFKBDAQQJY-UHFFFAOYSA-N -1 1 356.377 3.621 20 30 FHEDMM C=CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000735409683 599284929 /nfs/dbraw/zinc/28/49/29/599284929.db2.gz IOFVGVPOIRJRBG-UHFFFAOYSA-N -1 1 369.404 3.684 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccccc3F)C2)o1 ZINC000820108480 599336739 /nfs/dbraw/zinc/33/67/39/599336739.db2.gz KJMQLNKFIOHJFO-UHFFFAOYSA-N -1 1 369.404 3.538 20 30 FHEDMM CC(C)c1nn(-c2ccccc2)cc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827163935 601852342 /nfs/dbraw/zinc/85/23/42/601852342.db2.gz FLNUHYAXKRQJCI-OAQYLSRUSA-N -1 1 374.444 3.783 20 30 FHEDMM C#CCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000833367332 605259657 /nfs/dbraw/zinc/25/96/57/605259657.db2.gz URTOCIAHKXKEHK-QGZVFWFLSA-N -1 1 363.335 3.633 20 30 FHEDMM Clc1cc(Cl)c(N=NCc2ccc(-c3nn[n-]n3)s2)nc1Cl ZINC000822567439 606368932 /nfs/dbraw/zinc/36/89/32/606368932.db2.gz BIIWOCPPNXBKFI-UHFFFAOYSA-N -1 1 374.644 3.729 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(c3cccc(Cl)c3)C2)o1 ZINC000824353242 607815827 /nfs/dbraw/zinc/81/58/27/607815827.db2.gz ZLNKWSDFMALFBN-UHFFFAOYSA-N -1 1 371.832 3.977 20 30 FHEDMM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826475892 608015768 /nfs/dbraw/zinc/01/57/68/608015768.db2.gz VINRMVMZECENEG-CLFYSBASSA-N -1 1 373.235 3.513 20 30 FHEDMM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826475893 608015855 /nfs/dbraw/zinc/01/58/55/608015855.db2.gz VINRMVMZECENEG-VQHVLOKHSA-N -1 1 373.235 3.513 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H]3CCCc4cccc2c43)o1 ZINC000824353238 608109809 /nfs/dbraw/zinc/10/98/09/608109809.db2.gz 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1 366.792 3.611 20 30 FHEDMM CCCN(CCC)c1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000119859808 935296784 /nfs/dbraw/zinc/29/67/84/935296784.db2.gz AHHNGCYWPVBEJP-OJLWIZQOSA-N -1 1 355.434 3.541 20 30 FHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1C(F)(F)F ZINC000427246216 945220385 /nfs/dbraw/zinc/22/03/85/945220385.db2.gz NVAIQKPUMFSOJC-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000188482210 939905432 /nfs/dbraw/zinc/90/54/32/939905432.db2.gz YTAKJLQVFFPHEH-UHFFFAOYSA-N -1 1 362.476 3.868 20 30 FHEDMM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1C#N ZINC000427345617 945301860 /nfs/dbraw/zinc/30/18/60/945301860.db2.gz PHQQBFZWMARRIY-UHFFFAOYSA-N -1 1 360.197 3.508 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cc1 ZINC000174772342 940774162 /nfs/dbraw/zinc/77/41/62/940774162.db2.gz ZCFFDJPUNVAULS-UHFFFAOYSA-N -1 1 351.387 3.546 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1Cl ZINC000175011936 940796855 /nfs/dbraw/zinc/79/68/55/940796855.db2.gz HTBHHXROLJDYFX-UHFFFAOYSA-N -1 1 360.822 3.531 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](c3ccccc3)[C@@H]2C)o1 ZINC000820109017 945353015 /nfs/dbraw/zinc/35/30/15/945353015.db2.gz ZOQDPYNGBBOXHR-GXTWGEPZSA-N -1 1 365.441 3.645 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@@H](c2c(F)cccc2F)C(F)(F)F)cc1[O-] ZINC000189198166 941153867 /nfs/dbraw/zinc/15/38/67/941153867.db2.gz PQJFLZRVLNLOSB-AWEZNQCLSA-N -1 1 356.250 3.575 20 30 FHEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c2ccccc12 ZINC000179025833 941334444 /nfs/dbraw/zinc/33/44/44/941334444.db2.gz REVSSIRBKRFKDP-UHFFFAOYSA-N -1 1 352.415 3.829 20 30 FHEDMM N#CC(=C([O-])c1cc(F)cc2nccnc21)c1ccc(C(F)(F)F)cn1 ZINC000614468282 941742393 /nfs/dbraw/zinc/74/23/93/941742393.db2.gz SDKOIZRTEAXFTA-GFCCVEGCSA-N -1 1 360.270 3.673 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000513385711 941893613 /nfs/dbraw/zinc/89/36/13/941893613.db2.gz ZEFSLXJCHZEAPX-UHFFFAOYSA-N -1 1 372.780 3.922 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000513427843 941915945 /nfs/dbraw/zinc/91/59/45/941915945.db2.gz XUEKRJOKLKHKBM-UHFFFAOYSA-N -1 1 355.444 3.791 20 30 FHEDMM N#Cc1ccc(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc1[O-] ZINC000565262664 941946052 /nfs/dbraw/zinc/94/60/52/941946052.db2.gz ISCSLVGKMSXZPL-UHFFFAOYSA-N -1 1 369.833 3.971 20 30 FHEDMM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000190382969 942995956 /nfs/dbraw/zinc/99/59/56/942995956.db2.gz HWKLXAWQIFKHMA-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CCCCC1 ZINC000318647928 943016323 /nfs/dbraw/zinc/01/63/23/943016323.db2.gz WCVOIKPBXSDGOI-LLVKDONJSA-N -1 1 365.257 3.883 20 30 FHEDMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435168234 943226479 /nfs/dbraw/zinc/22/64/79/943226479.db2.gz JIEWHZCTURIWMK-UHFFFAOYSA-N -1 1 354.353 3.940 20 30 FHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1 ZINC000416940033 943237026 /nfs/dbraw/zinc/23/70/26/943237026.db2.gz OHHUVYOVFILLKR-CYBMUJFWSA-N -1 1 353.494 3.647 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)ccc1C#N ZINC000435714851 943576005 /nfs/dbraw/zinc/57/60/05/943576005.db2.gz MNEZBODMYIRMFZ-UHFFFAOYSA-N -1 1 354.353 3.772 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1C#N ZINC000435756399 943605864 /nfs/dbraw/zinc/60/58/64/943605864.db2.gz QXEANGVOLFNBKJ-UHFFFAOYSA-N -1 1 372.780 3.922 20 30 FHEDMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000517449233 944308317 /nfs/dbraw/zinc/30/83/17/944308317.db2.gz UQPJGTPQYWUQBL-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000518456882 944397126 /nfs/dbraw/zinc/39/71/26/944397126.db2.gz CZFORPHKOPRVLM-UHFFFAOYSA-N -1 1 361.357 3.712 20 30 FHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000518492196 944424094 /nfs/dbraw/zinc/42/40/94/944424094.db2.gz XPYANMYZYWMZBC-AWEZNQCLSA-N -1 1 359.447 3.766 20 30 FHEDMM C=CCN(CCc1ccco1)C(=O)c1ccc(Br)cc1[O-] ZINC000436976886 944866162 /nfs/dbraw/zinc/86/61/62/944866162.db2.gz CNVAWQVYSXDKDL-UHFFFAOYSA-N -1 1 350.212 3.619 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000438762082 944998969 /nfs/dbraw/zinc/99/89/69/944998969.db2.gz USTNNPGACAHMQV-ZDUSSCGKSA-N -1 1 371.462 3.504 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000438760540 944999086 /nfs/dbraw/zinc/99/90/86/944999086.db2.gz XAEBTFJZFMJNPW-UHFFFAOYSA-N -1 1 373.478 3.806 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](c3ccccc3)[C@H]2C)o1 ZINC000820197757 945371904 /nfs/dbraw/zinc/37/19/04/945371904.db2.gz NLSKTGYQRISKNU-DGCLKSJQSA-N -1 1 351.414 3.570 20 30 FHEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)c1C ZINC000520451479 947483434 /nfs/dbraw/zinc/48/34/34/947483434.db2.gz WUTNMDZATXUJTC-UHFFFAOYSA-N -1 1 364.854 3.946 20 30 FHEDMM CCOc1cc(-c2noc(CC(C)(C)C#N)n2)cc(Br)c1[O-] ZINC000278974494 948352073 /nfs/dbraw/zinc/35/20/73/948352073.db2.gz JIJRIAFCYCLUIE-UHFFFAOYSA-N -1 1 366.215 3.696 20 30 FHEDMM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000408338958 948491404 /nfs/dbraw/zinc/49/14/04/948491404.db2.gz NKSFQUOHAKVDFV-CPCISQLKSA-N -1 1 353.658 3.617 20 30 FHEDMM N#Cc1c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cn2ccccc12 ZINC000261410724 948569513 /nfs/dbraw/zinc/56/95/13/948569513.db2.gz SNXGEFAXRIZDSU-UHFFFAOYSA-N -1 1 350.325 3.618 20 30 FHEDMM CCOc1cc(-c2noc(COc3ccccc3C#N)n2)cc(Cl)c1[O-] ZINC000445412472 948759181 /nfs/dbraw/zinc/75/91/81/948759181.db2.gz SKSDGBSBZIKPGR-UHFFFAOYSA-N -1 1 371.780 3.945 20 30 FHEDMM N#Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000436563619 567842173 /nfs/dbraw/zinc/84/21/73/567842173.db2.gz NRKTZABWCZVSHP-UHFFFAOYSA-N -1 1 356.809 3.601 20 30 FHEDMM N#Cc1ccc(OC2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000436562629 567851240 /nfs/dbraw/zinc/85/12/40/567851240.db2.gz LBZREBGJJHNXKC-UHFFFAOYSA-N -1 1 356.809 3.601 20 30 FHEDMM N#CCc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000051656449 568139974 /nfs/dbraw/zinc/13/99/74/568139974.db2.gz NOKOVNUBBGHUAT-CQSZACIVSA-N -1 1 350.328 3.988 20 30 FHEDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000481926401 568189060 /nfs/dbraw/zinc/18/90/60/568189060.db2.gz USEQNCRLCJVEMB-UHFFFAOYSA-N -1 1 350.827 3.800 20 30 FHEDMM N#Cc1ccc(OC2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)c(F)c1 ZINC000436662959 568253764 /nfs/dbraw/zinc/25/37/64/568253764.db2.gz FJQUOSQZJVWJMJ-UHFFFAOYSA-N -1 1 374.799 3.740 20 30 FHEDMM N#Cc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000570735287 568505458 /nfs/dbraw/zinc/50/54/58/568505458.db2.gz IIHPIHODWOOEGS-UHFFFAOYSA-N -1 1 373.236 3.525 20 30 FHEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000739104196 600572492 /nfs/dbraw/zinc/57/24/92/600572492.db2.gz FJPDSLXCDOQHTC-LLVKDONJSA-N -1 1 366.261 3.501 20 30 FHEDMM N#CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000833068484 600746849 /nfs/dbraw/zinc/74/68/49/600746849.db2.gz ZNBKIJGYPFHCQI-MRXNPFEDSA-N -1 1 365.216 3.811 20 30 FHEDMM O=C([O-])c1ccc(CN=Nc2c(F)cc(F)cc2Br)cc1 ZINC000740123285 600947219 /nfs/dbraw/zinc/94/72/19/600947219.db2.gz KHWHOAJCYVZIPQ-UHFFFAOYSA-N -1 1 355.138 3.872 20 30 FHEDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1Br ZINC000827718473 601297662 /nfs/dbraw/zinc/29/76/62/601297662.db2.gz SWSIJFXMARLCKX-ZBEGNZNMSA-N -1 1 359.223 3.797 20 30 FHEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000833073839 601319176 /nfs/dbraw/zinc/31/91/76/601319176.db2.gz IWKPIMPVIBTMSI-LLVKDONJSA-N -1 1 366.261 3.501 20 30 FHEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OCC2CC2)c1 ZINC000832935153 601494792 /nfs/dbraw/zinc/49/47/92/601494792.db2.gz XCQRWWVHIDFSIZ-HXUWFJFHSA-N -1 1 350.418 3.571 20 30 FHEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC(C)(C)C)c1 ZINC000832933411 601560730 /nfs/dbraw/zinc/56/07/30/601560730.db2.gz ARRRSUNEHJXSDP-LJQANCHMSA-N -1 1 352.434 3.960 20 30 FHEDMM CC[C@@H](C)Oc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000828758025 601643934 /nfs/dbraw/zinc/64/39/34/601643934.db2.gz GHCJTFUNIQGDIP-FOIQADDNSA-N -1 1 352.434 3.960 20 30 FHEDMM CC(=O)N1CCC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)c2ccccc2C1 ZINC000833393812 605158805 /nfs/dbraw/zinc/15/88/05/605158805.db2.gz SBIDMZDPGMAHPM-UHFFFAOYSA-N -1 1 371.824 3.607 20 30 FHEDMM C=CCOc1ccc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)cc1OC ZINC000833377676 605545617 /nfs/dbraw/zinc/54/56/17/605545617.db2.gz IEYHVETUDHHYSO-UHFFFAOYSA-N -1 1 353.418 3.517 20 30 FHEDMM C=CCOc1ccc(CN2CCc3ccc(C(=O)[O-])cc3C2)cc1OC ZINC000833377676 605545621 /nfs/dbraw/zinc/54/56/21/605545621.db2.gz IEYHVETUDHHYSO-UHFFFAOYSA-N -1 1 353.418 3.517 20 30 FHEDMM Cc1cc(Cl)cc2c1OCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822202193 606390889 /nfs/dbraw/zinc/39/08/89/606390889.db2.gz OQLOBENYIDOTBT-WEVVVXLNSA-N -1 1 358.810 3.549 20 30 FHEDMM Cc1cc(Cl)cc2c1OCCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000822202347 607172258 /nfs/dbraw/zinc/17/22/58/607172258.db2.gz WFNLUUFLSVXRAZ-JXMROGBWSA-N -1 1 372.837 3.939 20 30 FHEDMM COc1cccc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)oc21 ZINC000826218204 608092487 /nfs/dbraw/zinc/09/24/87/608092487.db2.gz STWMENFQPOVSKU-WAYWQWQTSA-N -1 1 352.375 3.579 20 30 FHEDMM COc1cccc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)oc21 ZINC000826218204 608092488 /nfs/dbraw/zinc/09/24/88/608092488.db2.gz STWMENFQPOVSKU-WAYWQWQTSA-N -1 1 352.375 3.579 20 30 FHEDMM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826273840 608093033 /nfs/dbraw/zinc/09/30/33/608093033.db2.gz WNVHJBCJUQXTDX-VOTSOKGWSA-N -1 1 362.418 3.523 20 30 FHEDMM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826273840 608093034 /nfs/dbraw/zinc/09/30/34/608093034.db2.gz WNVHJBCJUQXTDX-VOTSOKGWSA-N -1 1 362.418 3.523 20 30 FHEDMM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403173 608093260 /nfs/dbraw/zinc/09/32/60/608093260.db2.gz LPLXTXKTKIXRKB-FPLPWBNLSA-N -1 1 352.419 3.613 20 30 FHEDMM O=C(C=Cc1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403173 608093261 /nfs/dbraw/zinc/09/32/61/608093261.db2.gz LPLXTXKTKIXRKB-FPLPWBNLSA-N -1 1 352.419 3.613 20 30 FHEDMM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826399974 608093877 /nfs/dbraw/zinc/09/38/77/608093877.db2.gz LUMGRKXIGUDCMD-ZZXKWVIFSA-N -1 1 350.325 3.843 20 30 FHEDMM O=C(C=Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826399974 608093878 /nfs/dbraw/zinc/09/38/78/608093878.db2.gz LUMGRKXIGUDCMD-ZZXKWVIFSA-N -1 1 350.325 3.843 20 30 FHEDMM Nc1c(Cl)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000826395843 608288543 /nfs/dbraw/zinc/28/85/43/608288543.db2.gz VDZJQOXWFTYCDJ-HNQUOIGGSA-N -1 1 366.233 3.713 20 30 FHEDMM O=C1c2ccc(Cl)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826475291 608387793 /nfs/dbraw/zinc/38/77/93/608387793.db2.gz BEPJNMGCXQCQEA-CLFYSBASSA-N -1 1 358.810 3.630 20 30 FHEDMM Cc1cc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)ccc1CO ZINC001211575353 937364193 /nfs/dbraw/zinc/36/41/93/937364193.db2.gz PSTAZLWBTSTDJH-KEBDBYFISA-N -1 1 366.446 3.766 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc1[O-] ZINC000580057315 930199157 /nfs/dbraw/zinc/19/91/57/930199157.db2.gz FZKWIOSVPQWCAU-LJQANCHMSA-N -1 1 356.372 3.966 20 30 FHEDMM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccccc2CN2CCSCC2)c1 ZINC000255214977 930851507 /nfs/dbraw/zinc/85/15/07/930851507.db2.gz CEOLBXQNWVRIOK-UHFFFAOYSA-N -1 1 357.435 3.600 20 30 FHEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153629658 930980195 /nfs/dbraw/zinc/98/01/95/930980195.db2.gz BGEWHYOHMFKTGB-UHFFFAOYSA-N -1 1 361.825 3.891 20 30 FHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(OCC(F)F)nc2)s1 ZINC000430592346 931995682 /nfs/dbraw/zinc/99/56/82/931995682.db2.gz QHIWRLPSEPQZBS-LLVKDONJSA-N -1 1 365.405 3.970 20 30 FHEDMM N#CC1(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)CCCC1 ZINC000072009598 932087384 /nfs/dbraw/zinc/08/73/84/932087384.db2.gz LKGDTKXRLGOYPJ-UHFFFAOYSA-N -1 1 369.446 3.510 20 30 FHEDMM CC[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000176007079 932288591 /nfs/dbraw/zinc/28/85/91/932288591.db2.gz OTPHHNIFMPQSLG-QGZVFWFLSA-N -1 1 372.446 3.563 20 30 FHEDMM N#C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C1CCCCC1 ZINC001266806345 932535049 /nfs/dbraw/zinc/53/50/49/932535049.db2.gz NHWAQZHMHWLODV-GFCCVEGCSA-N -1 1 372.213 3.525 20 30 FHEDMM CC(C)(C)CCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000121552412 933113868 /nfs/dbraw/zinc/11/38/68/933113868.db2.gz DTPRWLGICGNBKA-GFCCVEGCSA-N -1 1 357.479 3.866 20 30 FHEDMM C=CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])c1nc2c(s1)CCCC2 ZINC000535891169 934719277 /nfs/dbraw/zinc/71/92/77/934719277.db2.gz FUYBBUAERBKTFX-UHFFFAOYSA-N -1 1 371.462 3.519 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1Cl ZINC000119787629 935228653 /nfs/dbraw/zinc/22/86/53/935228653.db2.gz VDKXBARHTURRRW-UHFFFAOYSA-N -1 1 359.794 3.667 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)cc1 ZINC000158294173 935691868 /nfs/dbraw/zinc/69/18/68/935691868.db2.gz IOOFQZXFDDYPLF-UHFFFAOYSA-N -1 1 356.447 3.818 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1F ZINC000427208113 945177678 /nfs/dbraw/zinc/17/76/78/945177678.db2.gz AXVZBMXSSPPLPW-UHFFFAOYSA-N -1 1 373.434 3.985 20 30 FHEDMM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CS2)c1nc(C2CC2)cs1 ZINC000647372800 939066362 /nfs/dbraw/zinc/06/63/62/939066362.db2.gz VECJUEPWMUMOSW-NSHDSACASA-N -1 1 355.444 3.555 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1F ZINC000427248574 945226673 /nfs/dbraw/zinc/22/66/73/945226673.db2.gz IBPVTQGZIRIBNU-UHFFFAOYSA-N -1 1 372.343 3.993 20 30 FHEDMM CCCc1c(NC(=O)c2ccc([O-])cc2F)cnn1-c1cccc(C#N)c1 ZINC000364775755 940001759 /nfs/dbraw/zinc/00/17/59/940001759.db2.gz XCAOLRYSHNIMRC-UHFFFAOYSA-N -1 1 364.380 3.793 20 30 FHEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472574766 940890476 /nfs/dbraw/zinc/89/04/76/940890476.db2.gz RNZOWQYFRSWBQG-ZCFIWIBFSA-N -1 1 359.072 3.609 20 30 FHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000188671150 940917046 /nfs/dbraw/zinc/91/70/46/940917046.db2.gz DUGUOXRNPLTWQH-JTQLQIEISA-N -1 1 350.296 3.653 20 30 FHEDMM CCOC(=O)C1(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000181013512 941102605 /nfs/dbraw/zinc/10/26/05/941102605.db2.gz MDXTUYQITUZVBQ-CYBMUJFWSA-N -1 1 374.849 3.983 20 30 FHEDMM C=C[C@H](CCC(=O)[O-])NCc1cc(OC(F)F)ccc1Br ZINC000647646680 941222169 /nfs/dbraw/zinc/22/21/69/941222169.db2.gz IUGHSLKUOKQFSH-SNVBAGLBSA-N -1 1 364.186 3.560 20 30 FHEDMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000783080741 942311738 /nfs/dbraw/zinc/31/17/38/942311738.db2.gz PIYADFLXCPZRLH-AWEZNQCLSA-N -1 1 372.446 3.628 20 30 FHEDMM N#CC(=C([O-])c1cccc2c1OCCCO2)c1cc(C(F)(F)F)ccn1 ZINC000651360717 942641860 /nfs/dbraw/zinc/64/18/60/942641860.db2.gz QRBMUJCNDMIUPM-ZDUSSCGKSA-N -1 1 362.307 3.752 20 30 FHEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1nc2ccccc2n1C(F)F ZINC000434620031 942805977 /nfs/dbraw/zinc/80/59/77/942805977.db2.gz HQAQBNOTDIPTMD-NSHDSACASA-N -1 1 367.315 3.905 20 30 FHEDMM Cc1cc(=NC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])[nH]n1CCC#N ZINC000506171804 944308069 /nfs/dbraw/zinc/30/80/69/944308069.db2.gz AGLRGIQJHDYVAC-UHFFFAOYSA-N -1 1 354.454 3.732 20 30 FHEDMM N#C[C@@H](C(=O)[C@H]1CC12CCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000759815434 944372620 /nfs/dbraw/zinc/37/26/20/944372620.db2.gz RLVUDTPMZDRSHK-NWDGAFQWSA-N -1 1 353.447 3.642 20 30 FHEDMM N#Cc1ccc(N2CC[C@@H](c3nc(-c4ccc([O-])cc4F)no3)C2)c(F)c1 ZINC000436879830 944751693 /nfs/dbraw/zinc/75/16/93/944751693.db2.gz PBWGLODSYFFECM-GFCCVEGCSA-N -1 1 368.343 3.586 20 30 FHEDMM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2OC)ccc1OC ZINC000426769047 944787840 /nfs/dbraw/zinc/78/78/40/944787840.db2.gz FMOALHDYSMHDNT-HXUWFJFHSA-N -1 1 371.433 3.574 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000438731587 944962065 /nfs/dbraw/zinc/96/20/65/944962065.db2.gz SYVMLMURZNRTGX-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000438726027 944971647 /nfs/dbraw/zinc/97/16/47/944971647.db2.gz SQMLUUOWPAOYOD-UHFFFAOYSA-N -1 1 350.827 3.549 20 30 FHEDMM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000550105708 945874654 /nfs/dbraw/zinc/87/46/54/945874654.db2.gz SSOHGAQBSXIWHV-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000432282644 947072130 /nfs/dbraw/zinc/07/21/30/947072130.db2.gz CWYJKJUZMUYUSM-CYBMUJFWSA-N -1 1 374.409 3.634 20 30 FHEDMM CCc1noc(C)c1[N-]C(=O)c1occc1COc1cccc(C#N)c1 ZINC000120908878 947399033 /nfs/dbraw/zinc/39/90/33/947399033.db2.gz IWUUITCXEPFXLG-UHFFFAOYSA-N -1 1 351.362 3.841 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccccc4n3)cc2)c1 ZINC000523932149 947738815 /nfs/dbraw/zinc/73/88/15/947738815.db2.gz FEVJWLAHGITGLQ-UHFFFAOYSA-N -1 1 374.425 3.674 20 30 FHEDMM COc1cc(-c2noc(-c3cccc(C#N)c3)n2)cc(Br)c1[O-] ZINC000445393516 948760969 /nfs/dbraw/zinc/76/09/69/948760969.db2.gz PITGCLVMRZWKGI-UHFFFAOYSA-N -1 1 372.178 3.752 20 30 FHEDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000321974047 568046007 /nfs/dbraw/zinc/04/60/07/568046007.db2.gz IFQXHPBMYYGNGO-UHFFFAOYSA-N -1 1 350.827 3.801 20 30 FHEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1C ZINC000481944637 568195208 /nfs/dbraw/zinc/19/52/08/568195208.db2.gz QHVAXLQRSSIDBX-UHFFFAOYSA-N -1 1 350.827 3.638 20 30 FHEDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000481946407 568195242 /nfs/dbraw/zinc/19/52/42/568195242.db2.gz WYSRUYKRCUUWLM-UHFFFAOYSA-N -1 1 362.838 3.851 20 30 FHEDMM Clc1cc(Cl)c(NN=Cc2ccc(-c3nnn[n-]3)o2)c(Cl)c1 ZINC000822568717 599329980 /nfs/dbraw/zinc/32/99/80/599329980.db2.gz XBBJPQVKVSFKOD-UHFFFAOYSA-N -1 1 357.588 3.866 20 30 FHEDMM Clc1cc(Cl)c(NN=Cc2ccc(-c3nn[n-]n3)o2)c(Cl)c1 ZINC000822568717 599329981 /nfs/dbraw/zinc/32/99/81/599329981.db2.gz XBBJPQVKVSFKOD-UHFFFAOYSA-N -1 1 357.588 3.866 20 30 FHEDMM O=C([O-])COc1cccc(C/N=C/c2cc(Cl)cc(Cl)c2O)c1 ZINC000739831612 600567660 /nfs/dbraw/zinc/56/76/60/600567660.db2.gz LIUGTVTZGJQMPH-UFWORHAWSA-N -1 1 354.189 3.782 20 30 FHEDMM N#Cc1cccc([C@@H](NCc2ccccc2OC2CCCC2)C(=O)[O-])c1 ZINC000833075532 601302621 /nfs/dbraw/zinc/30/26/21/601302621.db2.gz LJGKMYHNKFJSRX-HXUWFJFHSA-N -1 1 350.418 3.795 20 30 FHEDMM N#CC(C(=O)c1ccc(CNC(=O)[O-])cc1)c1nc2cc(F)ccc2s1 ZINC000740303065 602479688 /nfs/dbraw/zinc/47/96/88/602479688.db2.gz GEMANQKEVMWGHM-ZDUSSCGKSA-N -1 1 369.377 3.693 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2coc3ccccc23)o1 ZINC000823962911 607652605 /nfs/dbraw/zinc/65/26/05/607652605.db2.gz RIGQHEJYYKURML-UHFFFAOYSA-N -1 1 365.397 3.636 20 30 FHEDMM CCCCCCCCCn1cc(-c2nn[n-]n2)c(=O)c2nc(C)ccc21 ZINC000825271908 607717408 /nfs/dbraw/zinc/71/74/08/607717408.db2.gz QEHRPUZPMCGMLQ-UHFFFAOYSA-N -1 1 354.458 3.636 20 30 FHEDMM COc1ccc([C@H](C)C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1 ZINC000821777541 606166049 /nfs/dbraw/zinc/16/60/49/606166049.db2.gz HRKDKGWCASKFOQ-LLVKDONJSA-N -1 1 369.429 3.578 20 30 FHEDMM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825737 606387765 /nfs/dbraw/zinc/38/77/65/606387765.db2.gz NOKBLSCIKLYRHX-BDLVGCLISA-N -1 1 365.443 3.691 20 30 FHEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c2ccccc12 ZINC000821769494 606388461 /nfs/dbraw/zinc/38/84/61/606388461.db2.gz IBBBALRNJDANLU-TWGQIWQCSA-N -1 1 362.414 3.986 20 30 FHEDMM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000822423833 606390902 /nfs/dbraw/zinc/39/09/02/606390902.db2.gz POLZUVGMBMMNDY-ALCCZGGFSA-N -1 1 359.480 3.887 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1sccc1Br ZINC000822928918 606391630 /nfs/dbraw/zinc/39/16/30/606391630.db2.gz NEBAURPUEHTQAF-HNQUOIGGSA-N -1 1 367.253 3.648 20 30 FHEDMM CCOc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)s1 ZINC000821421967 606392193 /nfs/dbraw/zinc/39/21/93/606392193.db2.gz JBSCMJGXNBWWCK-XQRVVYSFSA-N -1 1 360.826 3.876 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(OC(F)(F)F)c1 ZINC000822929140 606392852 /nfs/dbraw/zinc/39/28/52/606392852.db2.gz QGCWEDYKQXNLQI-GQCTYLIASA-N -1 1 366.324 3.723 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H](C)CCc2ccccc2)o1 ZINC000820219947 606433320 /nfs/dbraw/zinc/43/33/20/606433320.db2.gz MCNQBVRRLVOERL-CYBMUJFWSA-N -1 1 353.430 3.645 20 30 FHEDMM CC(=NNc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823963148 608091562 /nfs/dbraw/zinc/09/15/62/608091562.db2.gz WUUITVHWSNPIOE-UHFFFAOYSA-N -1 1 352.345 3.783 20 30 FHEDMM CC(=NNc1ccccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000823962224 608091820 /nfs/dbraw/zinc/09/18/20/608091820.db2.gz HTXURTKYBHZBLV-UHFFFAOYSA-N -1 1 352.345 3.783 20 30 FHEDMM CCCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC ZINC000825339206 608093420 /nfs/dbraw/zinc/09/34/20/608093420.db2.gz RKRWNMLIFWNHIA-XQRVVYSFSA-N -1 1 370.434 3.622 20 30 FHEDMM CCCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC ZINC000825339206 608093421 /nfs/dbraw/zinc/09/34/21/608093421.db2.gz RKRWNMLIFWNHIA-XQRVVYSFSA-N -1 1 370.434 3.622 20 30 FHEDMM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000826476015 608288832 /nfs/dbraw/zinc/28/88/32/608288832.db2.gz YUGLLDNSLQIZJZ-VURMDHGXSA-N -1 1 373.235 3.513 20 30 FHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)SCC(=O)N3)n1 ZINC000564510335 937113335 /nfs/dbraw/zinc/11/33/35/937113335.db2.gz LZGJAGSGXMKAIX-LLVKDONJSA-N -1 1 357.460 3.801 20 30 FHEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc(Cl)c2O1 ZINC000134449140 928914512 /nfs/dbraw/zinc/91/45/12/928914512.db2.gz NENAYPWFIQZELJ-LLVKDONJSA-N -1 1 362.838 3.530 20 30 FHEDMM Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)n1 ZINC000060059900 929261351 /nfs/dbraw/zinc/26/13/51/929261351.db2.gz MRRBJLYFEFMRNJ-UHFFFAOYSA-N -1 1 370.459 3.868 20 30 FHEDMM CN(C)C(=O)c1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000430646522 932545680 /nfs/dbraw/zinc/54/56/80/932545680.db2.gz WJNUXOXUGSCVTD-AWEZNQCLSA-N -1 1 355.463 3.632 20 30 FHEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C#N)C(C)C)cc1 ZINC000176040801 932893186 /nfs/dbraw/zinc/89/31/86/932893186.db2.gz PVPHPLWIHYCHDP-GOSISDBHSA-N -1 1 372.446 3.501 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000610663142 933689657 /nfs/dbraw/zinc/68/96/57/933689657.db2.gz VEYIPVUXMBHNJV-UHFFFAOYSA-N -1 1 372.837 3.711 20 30 FHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1c(F)cccc1N1CCOCC1 ZINC000255470498 935063208 /nfs/dbraw/zinc/06/32/08/935063208.db2.gz RDLLCUQNSGQMHJ-ALCCZGGFSA-N -1 1 361.800 3.917 20 30 FHEDMM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1NC(=O)[C@H]1C[C@@H]1F ZINC001143438448 935328093 /nfs/dbraw/zinc/32/80/93/935328093.db2.gz IRPKRGYLSLZUMY-IUCAKERBSA-N -1 1 359.241 3.604 20 30 FHEDMM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc2cc(Cl)ccc2s1 ZINC000119985752 935412601 /nfs/dbraw/zinc/41/26/01/935412601.db2.gz NFIYDABBTFRATK-LBPRGKRZSA-N -1 1 370.821 3.930 20 30 FHEDMM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3cccc(C)c3)cs2)o1 ZINC000127807124 935811946 /nfs/dbraw/zinc/81/19/46/935811946.db2.gz OYCSYDNSCRZAEV-CQSZACIVSA-N -1 1 365.414 3.981 20 30 FHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Br)cc1F ZINC000582935912 936303312 /nfs/dbraw/zinc/30/33/12/936303312.db2.gz NHDDADXMTCXURS-SECBINFHSA-N -1 1 363.186 3.656 20 30 FHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1Br ZINC000193359796 939875863 /nfs/dbraw/zinc/87/58/63/939875863.db2.gz QXTBTWYHDFHQCU-UHFFFAOYSA-N -1 1 365.252 3.624 20 30 FHEDMM Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427330727 945289785 /nfs/dbraw/zinc/28/97/85/945289785.db2.gz WDFUQWSJYNNSQI-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)o1 ZINC000582085532 940651925 /nfs/dbraw/zinc/65/19/25/940651925.db2.gz KZRLRMFTALXTOC-UHFFFAOYSA-N -1 1 370.434 3.876 20 30 FHEDMM O=C(CCc1ccccc1OC(F)(F)F)Nc1n[n-]c(C(F)(F)F)n1 ZINC000066629089 940754170 /nfs/dbraw/zinc/75/41/70/940754170.db2.gz ZWOQNHCVKHVQHT-UHFFFAOYSA-N -1 1 368.237 3.943 20 30 FHEDMM N#CC(=C([O-])c1ccn(-c2c(F)cccc2F)n1)c1nc2ccccc2[nH]1 ZINC000175085190 940808787 /nfs/dbraw/zinc/80/87/87/940808787.db2.gz FWHHXYDWFFLZBI-NSHDSACASA-N -1 1 363.327 3.517 20 30 FHEDMM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000472574762 940890494 /nfs/dbraw/zinc/89/04/94/940890494.db2.gz RNZOWQYFRSWBQG-LURJTMIESA-N -1 1 359.072 3.609 20 30 FHEDMM COc1ccc(Sc2nsc([N-]C(=O)c3cc(C#N)cs3)n2)cc1 ZINC000177333059 941118470 /nfs/dbraw/zinc/11/84/70/941118470.db2.gz FDUGELCIDKDZIZ-UHFFFAOYSA-N -1 1 374.472 3.883 20 30 FHEDMM N#Cc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc1O ZINC000189034883 941143845 /nfs/dbraw/zinc/14/38/45/941143845.db2.gz CLKPQLWFYZQMTR-UHFFFAOYSA-N -1 1 367.586 3.638 20 30 FHEDMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1OCC ZINC000189844018 941287644 /nfs/dbraw/zinc/28/76/44/941287644.db2.gz ZRYVORFFIMKZDI-CYBMUJFWSA-N -1 1 354.406 3.552 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1[O-] ZINC000190031239 941379000 /nfs/dbraw/zinc/37/90/00/941379000.db2.gz ADQFCKUYXVCFHM-OAQYLSRUSA-N -1 1 368.396 3.660 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[O-] ZINC000190031239 941379010 /nfs/dbraw/zinc/37/90/10/941379010.db2.gz ADQFCKUYXVCFHM-OAQYLSRUSA-N -1 1 368.396 3.660 20 30 FHEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1cccc(C)c1 ZINC000513672802 942067516 /nfs/dbraw/zinc/06/75/16/942067516.db2.gz VHCGANMAOWFVKW-QGZVFWFLSA-N -1 1 369.428 3.866 20 30 FHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)c1 ZINC000505304281 942459543 /nfs/dbraw/zinc/45/95/43/942459543.db2.gz GEBVFVURSNQQDF-UHFFFAOYSA-N -1 1 351.387 3.546 20 30 FHEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000435163317 943224227 /nfs/dbraw/zinc/22/42/27/943224227.db2.gz XWZNZFDFSKIVCN-UHFFFAOYSA-N -1 1 370.352 3.777 20 30 FHEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1F ZINC000514763757 943275982 /nfs/dbraw/zinc/27/59/82/943275982.db2.gz PKCZJDGWUDGOSV-UHFFFAOYSA-N -1 1 362.279 3.656 20 30 FHEDMM CCc1oc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cc1C ZINC000162467839 943852946 /nfs/dbraw/zinc/85/29/46/943852946.db2.gz INTNBXCMYZHJQE-GFCCVEGCSA-N -1 1 360.797 3.774 20 30 FHEDMM O=C(COCC(F)(F)F)[N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000436459291 944327158 /nfs/dbraw/zinc/32/71/58/944327158.db2.gz KOHOVSQCDYBCNA-JTQLQIEISA-N -1 1 367.648 3.778 20 30 FHEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436637447 944476296 /nfs/dbraw/zinc/47/62/96/944476296.db2.gz WJFQFYHEQGCLML-UHFFFAOYSA-N -1 1 351.402 3.849 20 30 FHEDMM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccccc2OC)ccc1OC ZINC000426769046 944787713 /nfs/dbraw/zinc/78/77/13/944787713.db2.gz FMOALHDYSMHDNT-FQEVSTJZSA-N -1 1 371.433 3.574 20 30 FHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000439622474 944829627 /nfs/dbraw/zinc/82/96/27/944829627.db2.gz OKAYKCPIQKXGPC-UHFFFAOYSA-N -1 1 355.463 3.670 20 30 FHEDMM C=C(C)COc1cc(CNCc2ccc(C(=O)[O-])c(CC)n2)ccc1OC ZINC000426648651 945474727 /nfs/dbraw/zinc/47/47/27/945474727.db2.gz SAUGMYIUGRJZIC-UHFFFAOYSA-N -1 1 370.449 3.596 20 30 FHEDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000519675795 945627256 /nfs/dbraw/zinc/62/72/56/945627256.db2.gz YHOSLBOPRIOKJC-UHFFFAOYSA-N -1 1 371.245 3.812 20 30 FHEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444076386 945805610 /nfs/dbraw/zinc/80/56/10/945805610.db2.gz QIUQRPKBAYSSLX-ZCFIWIBFSA-N -1 1 359.072 3.609 20 30 FHEDMM C=C(C)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000444215400 946082532 /nfs/dbraw/zinc/08/25/32/946082532.db2.gz SQXKXKBQJSIHJL-UHFFFAOYSA-N -1 1 359.072 3.610 20 30 FHEDMM C=CC[C@@H]1N(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CCCC1(C)C ZINC000444639905 947081457 /nfs/dbraw/zinc/08/14/57/947081457.db2.gz QZEAWPNMVWKXJT-KRWDZBQOSA-N -1 1 370.497 3.578 20 30 FHEDMM C=CC1(CC(=O)N(CCC)c2snc(C)c2-c2nnn[n-]2)CCCCC1 ZINC001573316632 947279758 /nfs/dbraw/zinc/27/97/58/947279758.db2.gz XMIFJMKVFGBRNI-UHFFFAOYSA-N -1 1 374.514 3.901 20 30 FHEDMM C=CC1(CC(=O)N(CCC)c2snc(C)c2-c2nn[n-]n2)CCCCC1 ZINC001573316632 947279769 /nfs/dbraw/zinc/27/97/69/947279769.db2.gz XMIFJMKVFGBRNI-UHFFFAOYSA-N -1 1 374.514 3.901 20 30 FHEDMM C=CCCC[C@@H](C(=O)Nc1snc(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001573334781 947463942 /nfs/dbraw/zinc/46/39/42/947463942.db2.gz IHHJWSPEBSWHAW-CQSZACIVSA-N -1 1 368.466 3.710 20 30 FHEDMM C=CCCC[C@@H](C(=O)Nc1snc(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001573334781 947463949 /nfs/dbraw/zinc/46/39/49/947463949.db2.gz IHHJWSPEBSWHAW-CQSZACIVSA-N -1 1 368.466 3.710 20 30 FHEDMM N#Cc1cccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000011372925 948064123 /nfs/dbraw/zinc/06/41/23/948064123.db2.gz AYTNVLASDRZKLE-UHFFFAOYSA-N -1 1 355.448 3.570 20 30 FHEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3cc4ccccc4cc3[O-])n2)c1 ZINC000436595513 567980188 /nfs/dbraw/zinc/98/01/88/567980188.db2.gz IUEOFEIVRZLEMB-UHFFFAOYSA-N -1 1 368.396 3.737 20 30 FHEDMM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000603420066 568095930 /nfs/dbraw/zinc/09/59/30/568095930.db2.gz YLOLHTZTMAJGHM-UKPHBRMFSA-N -1 1 368.524 3.780 20 30 FHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([N+](=O)[O-])n3C)n2)cc1 ZINC000603836607 568159548 /nfs/dbraw/zinc/15/95/48/568159548.db2.gz MLLLKVGYRIVFJU-ZDUSSCGKSA-N -1 1 366.402 3.855 20 30 FHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([N+](=O)[O-])n3C)n2)cc1 ZINC000603836606 568159555 /nfs/dbraw/zinc/15/95/55/568159555.db2.gz MLLLKVGYRIVFJU-CYBMUJFWSA-N -1 1 366.402 3.855 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(C)C)cc2)n1 ZINC000604433353 568286633 /nfs/dbraw/zinc/28/66/33/568286633.db2.gz JBGPQHMNHWBKKC-CQSZACIVSA-N -1 1 358.419 3.597 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(Cc2ccccc2)C2CCCCC2)o1 ZINC000737466817 598414742 /nfs/dbraw/zinc/41/47/42/598414742.db2.gz DGHHKRYYBKSXOY-UHFFFAOYSA-N -1 1 365.441 3.754 20 30 FHEDMM CCC(Cc1cccs1)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000736351171 598492194 /nfs/dbraw/zinc/49/21/94/598492194.db2.gz OYQHTGPLGYWHDW-UHFFFAOYSA-N -1 1 359.459 3.535 20 30 FHEDMM C[C@H](CN(Cc1ccccc1)Cn1ccc(-c2ccc(C#N)cc2)n1)C(=O)[O-] ZINC000736584140 601090019 /nfs/dbraw/zinc/09/00/19/601090019.db2.gz PUJOWHBNOMACBA-QGZVFWFLSA-N -1 1 374.444 3.602 20 30 FHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000833386473 605156088 /nfs/dbraw/zinc/15/60/88/605156088.db2.gz IISDEXJQOQKSMZ-UHFFFAOYSA-N -1 1 373.796 3.831 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cc3c(s2)CCCC3)o1 ZINC000819783555 606988305 /nfs/dbraw/zinc/98/83/05/606988305.db2.gz ZHQUJVPMARCIMQ-UHFFFAOYSA-N -1 1 371.470 3.755 20 30 FHEDMM Cc1nn(-c2ccccc2)c(CSc2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000822487078 607015485 /nfs/dbraw/zinc/01/54/85/607015485.db2.gz ZZIALEZUJZMSFN-UHFFFAOYSA-N -1 1 373.445 3.525 20 30 FHEDMM Cc1cc(Cl)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CCO2 ZINC000822201139 607122267 /nfs/dbraw/zinc/12/22/67/607122267.db2.gz SCXWFUXCKWPJII-NTMALXAHSA-N -1 1 372.837 3.939 20 30 FHEDMM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000824347630 608091768 /nfs/dbraw/zinc/09/17/68/608091768.db2.gz IANWBTFNRAZDPJ-XQRVVYSFSA-N -1 1 369.406 3.856 20 30 FHEDMM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000824347630 608091769 /nfs/dbraw/zinc/09/17/69/608091769.db2.gz IANWBTFNRAZDPJ-XQRVVYSFSA-N -1 1 369.406 3.856 20 30 FHEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1SC ZINC000826179082 608091919 /nfs/dbraw/zinc/09/19/19/608091919.db2.gz YQHRTIIXECTPQW-HWKANZROSA-N -1 1 358.448 3.555 20 30 FHEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1SC ZINC000826179082 608091920 /nfs/dbraw/zinc/09/19/20/608091920.db2.gz YQHRTIIXECTPQW-HWKANZROSA-N -1 1 358.448 3.555 20 30 FHEDMM O=C(C=Cc1csc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403150 608093130 /nfs/dbraw/zinc/09/31/30/608093130.db2.gz LBXASYYWFYHPCA-SREVYHEPSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1csc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)s1 ZINC000826403150 608093131 /nfs/dbraw/zinc/09/31/31/608093131.db2.gz LBXASYYWFYHPCA-SREVYHEPSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1ccccc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000826401499 608093299 /nfs/dbraw/zinc/09/32/99/608093299.db2.gz AJCVHSOGZOYCRM-WAYWQWQTSA-N -1 1 361.224 3.587 20 30 FHEDMM O=C(C=Cc1ccccc1Br)c1ccc(-c2nn[n-]n2)s1 ZINC000826401499 608093300 /nfs/dbraw/zinc/09/33/00/608093300.db2.gz AJCVHSOGZOYCRM-WAYWQWQTSA-N -1 1 361.224 3.587 20 30 FHEDMM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400739 608093886 /nfs/dbraw/zinc/09/38/86/608093886.db2.gz GSKTWSPFQKPDIV-IWQZZHSRSA-N -1 1 366.324 3.565 20 30 FHEDMM O=C(C=Cc1ccc(OC(F)F)c(F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400739 608093887 /nfs/dbraw/zinc/09/38/87/608093887.db2.gz GSKTWSPFQKPDIV-IWQZZHSRSA-N -1 1 366.324 3.565 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC[C@H](C)c2cccc(Cl)c2)o1 ZINC000824352454 608110063 /nfs/dbraw/zinc/11/00/63/608110063.db2.gz DWTBCGDXXYWLHG-JTQLQIEISA-N -1 1 359.821 3.833 20 30 FHEDMM CC(C)(C)c1cc(NC(=O)c2ccc(CC#N)cc2)c(-c2nnn[n-]2)s1 ZINC000824130165 608347876 /nfs/dbraw/zinc/34/78/76/608347876.db2.gz IGMQSRKLEHDHCX-UHFFFAOYSA-N -1 1 366.450 3.544 20 30 FHEDMM CC(C)(C)c1cc(NC(=O)c2ccc(CC#N)cc2)c(-c2nn[n-]n2)s1 ZINC000824130165 608347877 /nfs/dbraw/zinc/34/78/77/608347877.db2.gz IGMQSRKLEHDHCX-UHFFFAOYSA-N -1 1 366.450 3.544 20 30 FHEDMM N#CC(=C([O-])c1ccc(OC2CCCC2)nc1)c1cnc2ccccc2n1 ZINC000583969720 927935795 /nfs/dbraw/zinc/93/57/95/927935795.db2.gz ZESIELGNGNXCMR-INIZCTEOSA-N -1 1 358.401 3.836 20 30 FHEDMM Cc1sc2[n-]c([C@@H](C#N)C(=O)Nc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000179459471 928767509 /nfs/dbraw/zinc/76/75/09/928767509.db2.gz ZEIIEDHQCWRUKQ-GFCCVEGCSA-N -1 1 372.837 3.501 20 30 FHEDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000134674569 929130306 /nfs/dbraw/zinc/13/03/06/929130306.db2.gz RPHZYPDRWZPLBE-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM C=CCn1c(-c2sc(NC(=O)[C@@H]3C[C@@H]3C3CC3)nc2C)n[n-]c1=S ZINC000175928047 930485778 /nfs/dbraw/zinc/48/57/78/930485778.db2.gz AXYSXXIQRVHKNB-GHMZBOCLSA-N -1 1 361.496 3.543 20 30 FHEDMM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2)n1 ZINC000178037988 932174440 /nfs/dbraw/zinc/17/44/40/932174440.db2.gz QXBKSQTWJNGFGO-UHFFFAOYSA-N -1 1 367.430 3.939 20 30 FHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000255371135 932840953 /nfs/dbraw/zinc/84/09/53/932840953.db2.gz SYJWWJLAXCCKTO-KTAJNNJTSA-N -1 1 361.800 3.917 20 30 FHEDMM C=CCCS(=O)(=O)[N-]c1cc(COc2cccc(F)c2)ccc1OC ZINC000431182833 934052676 /nfs/dbraw/zinc/05/26/76/934052676.db2.gz WEUHPAWRSWTGDL-UHFFFAOYSA-N -1 1 365.426 3.731 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)cc1F ZINC000427115180 945089712 /nfs/dbraw/zinc/08/97/12/945089712.db2.gz RHHGMJIUMJSPJF-UHFFFAOYSA-N -1 1 360.410 3.820 20 30 FHEDMM CN(C)[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccs1 ZINC000255506772 935640122 /nfs/dbraw/zinc/64/01/22/935640122.db2.gz ASLFPVSRNIHHMT-KCXFFNSDSA-N -1 1 353.831 3.737 20 30 FHEDMM N#CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCC1 ZINC000159350099 935838980 /nfs/dbraw/zinc/83/89/80/935838980.db2.gz XZXCICVWFWEGQM-UHFFFAOYSA-N -1 1 369.446 3.510 20 30 FHEDMM Cn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000588534972 935883984 /nfs/dbraw/zinc/88/39/84/935883984.db2.gz GAKQNKYQLBDLBB-ZROIWOOFSA-N -1 1 361.357 3.523 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1F ZINC000427244505 945219137 /nfs/dbraw/zinc/21/91/37/945219137.db2.gz CWLCHGGRFNYFDX-UHFFFAOYSA-N -1 1 364.373 3.569 20 30 FHEDMM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000511300432 938995185 /nfs/dbraw/zinc/99/51/85/938995185.db2.gz LKQMFCYOPZRWKF-UHFFFAOYSA-N -1 1 365.252 3.738 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)ccc1C#N ZINC000235895511 939014099 /nfs/dbraw/zinc/01/40/99/939014099.db2.gz UMUIJKUOFQJRBJ-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc1[O-] ZINC000188420188 939874158 /nfs/dbraw/zinc/87/41/58/939874158.db2.gz JVUYGVOMZOFNTH-MRXNPFEDSA-N -1 1 358.850 3.848 20 30 FHEDMM Cc1sc(CCNC(=O)c2ccc(C#N)c([O-])c2)nc1-c1ccccc1 ZINC000188520203 940009711 /nfs/dbraw/zinc/00/97/11/940009711.db2.gz QCTRNUUFDVIQSD-UHFFFAOYSA-N -1 1 363.442 3.668 20 30 FHEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000172066159 940092771 /nfs/dbraw/zinc/09/27/71/940092771.db2.gz YDKDXZNKRKCDHY-OAQYLSRUSA-N -1 1 371.440 3.568 20 30 FHEDMM CCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000589019578 940360422 /nfs/dbraw/zinc/36/04/22/940360422.db2.gz WSWKUERVWDXIPT-GFCCVEGCSA-N -1 1 357.364 3.755 20 30 FHEDMM CCCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000511442323 940475154 /nfs/dbraw/zinc/47/51/54/940475154.db2.gz HJOPNBTZPAOJBG-INIZCTEOSA-N -1 1 355.463 3.814 20 30 FHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(CNC(=O)C(C)(C)C)cc2)n1 ZINC000173899177 940685355 /nfs/dbraw/zinc/68/53/55/940685355.db2.gz VDWWHHRLENKSFO-HNNXBMFYSA-N -1 1 355.463 3.604 20 30 FHEDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000180161056 940721512 /nfs/dbraw/zinc/72/15/12/940721512.db2.gz RZTXCXXNGLKHNJ-UHFFFAOYSA-N -1 1 365.798 3.538 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000174772665 940774762 /nfs/dbraw/zinc/77/47/62/940774762.db2.gz VSCVKXGDMDCLGS-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM COc1ccc(Sc2nsc([N-]C(=O)c3sccc3C#N)n2)cc1 ZINC000177333039 941118491 /nfs/dbraw/zinc/11/84/91/941118491.db2.gz RNVYEJZPQLGKJJ-UHFFFAOYSA-N -1 1 374.472 3.883 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)cc1[O-] ZINC000188912235 941129526 /nfs/dbraw/zinc/12/95/26/941129526.db2.gz VRCPFRHCODSCAK-OAHLLOKOSA-N -1 1 367.474 3.619 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000513413600 941911921 /nfs/dbraw/zinc/91/19/21/941911921.db2.gz LBXPAKHBUJJPFT-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000421144978 942373032 /nfs/dbraw/zinc/37/30/32/942373032.db2.gz CKNRLROTMPUSIK-LSDHHAIUSA-N -1 1 370.540 3.884 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)s1 ZINC000435440474 943417817 /nfs/dbraw/zinc/41/78/17/943417817.db2.gz WYNVJPGPYJDFPN-GFCCVEGCSA-N -1 1 360.382 3.592 20 30 FHEDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C ZINC000435717053 943577392 /nfs/dbraw/zinc/57/73/92/943577392.db2.gz JIWDQXNCMRNZIV-UHFFFAOYSA-N -1 1 350.827 3.638 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)ccc1C#N ZINC000435720047 943578664 /nfs/dbraw/zinc/57/86/64/943578664.db2.gz UJFLNPPQKWRGTM-UHFFFAOYSA-N -1 1 365.414 3.855 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)ccc1C#N ZINC000435750490 943584650 /nfs/dbraw/zinc/58/46/50/943584650.db2.gz YBAXCGGHTKMGLA-UHFFFAOYSA-N -1 1 355.444 3.791 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)ccc1C#N ZINC000435759513 943607714 /nfs/dbraw/zinc/60/77/14/943607714.db2.gz KTPRJVKGJLOQMP-UHFFFAOYSA-N -1 1 355.444 3.791 20 30 FHEDMM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1OC ZINC000417701418 943837997 /nfs/dbraw/zinc/83/79/97/943837997.db2.gz JOTQAGAJNDPONJ-UHFFFAOYSA-N -1 1 368.433 3.520 20 30 FHEDMM N#Cc1ccc(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1[O-] ZINC000437501502 943865664 /nfs/dbraw/zinc/86/56/64/943865664.db2.gz ZJOALGOAISEVCX-KOMQPUFPSA-N -1 1 360.335 3.959 20 30 FHEDMM N#Cc1ccc(Br)c(CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000436253519 944146237 /nfs/dbraw/zinc/14/62/37/944146237.db2.gz MZDGCYXOWMIPMI-UHFFFAOYSA-N -1 1 362.252 3.986 20 30 FHEDMM N#CCCN(C(=O)c1ccc2ccccc2c1[O-])c1ccc2c(c1)OCCO2 ZINC000436569221 944433877 /nfs/dbraw/zinc/43/38/77/944433877.db2.gz BIYVMIVTSDQEEL-UHFFFAOYSA-N -1 1 374.396 3.877 20 30 FHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1Cl ZINC000321837753 944450572 /nfs/dbraw/zinc/45/05/72/944450572.db2.gz GZUACQMHLBBENF-UHFFFAOYSA-N -1 1 358.753 3.614 20 30 FHEDMM CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436849897 944718688 /nfs/dbraw/zinc/71/86/88/944718688.db2.gz VZWMJZFGYWGQPW-UHFFFAOYSA-N -1 1 360.413 3.706 20 30 FHEDMM Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])nn1-c1cccc(C#N)c1 ZINC000436910459 944780087 /nfs/dbraw/zinc/78/00/87/944780087.db2.gz CXARICQOELHTGA-UHFFFAOYSA-N -1 1 352.781 3.664 20 30 FHEDMM C=C(C)COc1cc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)ccc1OC ZINC000426782684 944800285 /nfs/dbraw/zinc/80/02/85/944800285.db2.gz HLQVHZBIJZGWMU-MRXNPFEDSA-N -1 1 359.422 3.857 20 30 FHEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000438764692 945017472 /nfs/dbraw/zinc/01/74/72/945017472.db2.gz PPCDAJDKHNUMGW-UHFFFAOYSA-N -1 1 374.853 3.706 20 30 FHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000473132879 946418366 /nfs/dbraw/zinc/41/83/66/946418366.db2.gz OOXNNMHDNLMYOQ-UHFFFAOYSA-N -1 1 369.215 3.569 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(c3ccc(Cl)cc3)C2)o1 ZINC000824352349 946664198 /nfs/dbraw/zinc/66/41/98/946664198.db2.gz AQCXJUKPSZIKTK-UHFFFAOYSA-N -1 1 371.832 3.977 20 30 FHEDMM Cc1ccnc(NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1C#N ZINC000826314381 947916891 /nfs/dbraw/zinc/91/68/91/947916891.db2.gz UBJYLVXGCXNUCO-UHFFFAOYSA-N -1 1 373.445 3.782 20 30 FHEDMM C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000021007257 948664199 /nfs/dbraw/zinc/66/41/99/948664199.db2.gz IDARQZWOVNDHBO-UHFFFAOYSA-N -1 1 372.490 3.834 20 30 FHEDMM Cc1nc(COc2ccc(F)cc2)sc1C(=O)[N-]c1nncs1 ZINC000021216113 948809470 /nfs/dbraw/zinc/80/94/70/948809470.db2.gz PSLUVVCCZDQMLK-UHFFFAOYSA-N -1 1 350.400 3.657 20 30 FHEDMM Cc1coc(-c2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2C)n1 ZINC000150800670 567850410 /nfs/dbraw/zinc/85/04/10/567850410.db2.gz UTHMHMXDKXKNML-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM Cc1cccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c1C ZINC000735450539 598977134 /nfs/dbraw/zinc/97/71/34/598977134.db2.gz AEFWTVDGWOGEJU-UHFFFAOYSA-N -1 1 353.430 3.605 20 30 FHEDMM C=C(C)[C@H](CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1)OCC ZINC000823874394 608345858 /nfs/dbraw/zinc/34/58/58/608345858.db2.gz WAFGOUQXAKUIRB-LBPRGKRZSA-N -1 1 363.487 3.536 20 30 FHEDMM C=C(C)[C@H](CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1)OCC ZINC000823874394 608345860 /nfs/dbraw/zinc/34/58/60/608345860.db2.gz WAFGOUQXAKUIRB-LBPRGKRZSA-N -1 1 363.487 3.536 20 30 FHEDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000738156963 604883117 /nfs/dbraw/zinc/88/31/17/604883117.db2.gz NSBXFAZESMUAFQ-SNVBAGLBSA-N -1 1 357.366 3.569 20 30 FHEDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000738156963 604883121 /nfs/dbraw/zinc/88/31/21/604883121.db2.gz NSBXFAZESMUAFQ-SNVBAGLBSA-N -1 1 357.366 3.569 20 30 FHEDMM N#Cc1ccc(C=C2CCC(=Cc3ccc(-c4nn[n-]n4)s3)C2=O)s1 ZINC000822825736 606387704 /nfs/dbraw/zinc/38/77/04/606387704.db2.gz NOKBLSCIKLYRHX-AMMQDNIMSA-N -1 1 365.443 3.691 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Br)s1 ZINC000822922996 606387879 /nfs/dbraw/zinc/38/78/79/606387879.db2.gz MACVMCRXIVKZCD-HNQUOIGGSA-N -1 1 367.253 3.648 20 30 FHEDMM CCOc1cccc2cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)s3)oc21 ZINC000821431304 606388638 /nfs/dbraw/zinc/38/86/38/606388638.db2.gz OZPAUYHLIFSPRV-SOFGYWHQSA-N -1 1 366.402 3.969 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC[C@H](C)c3ccccc32)o1 ZINC000824352572 607782845 /nfs/dbraw/zinc/78/28/45/607782845.db2.gz JCADAFRNVTUIEQ-NSHDSACASA-N -1 1 351.414 3.692 20 30 FHEDMM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)co2)cc1 ZINC000826273741 608092847 /nfs/dbraw/zinc/09/28/47/608092847.db2.gz RLUJGTNODFSLGV-VOTSOKGWSA-N -1 1 363.402 3.788 20 30 FHEDMM Cc1ccc(-c2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)co2)cc1 ZINC000826273741 608092848 /nfs/dbraw/zinc/09/28/48/608092848.db2.gz RLUJGTNODFSLGV-VOTSOKGWSA-N -1 1 363.402 3.788 20 30 FHEDMM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400211 608093051 /nfs/dbraw/zinc/09/30/51/608093051.db2.gz SGJRDXFQKMNOGH-ZZXKWVIFSA-N -1 1 361.224 3.587 20 30 FHEDMM O=C(C=Cc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400211 608093052 /nfs/dbraw/zinc/09/30/52/608093052.db2.gz SGJRDXFQKMNOGH-ZZXKWVIFSA-N -1 1 361.224 3.587 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(Cl)c(F)c2)o1 ZINC000823963228 608228344 /nfs/dbraw/zinc/22/83/44/608228344.db2.gz YNIWNBCTQCHSNH-UHFFFAOYSA-N -1 1 363.784 3.607 20 30 FHEDMM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)ccc1Cl ZINC000157755859 929455839 /nfs/dbraw/zinc/45/58/39/929455839.db2.gz CVMWZUICRXCIEO-UHFFFAOYSA-N -1 1 359.794 3.667 20 30 FHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000134053504 929747954 /nfs/dbraw/zinc/74/79/54/929747954.db2.gz WCSVXUSPBAOYRM-UHFFFAOYSA-N -1 1 354.435 3.598 20 30 FHEDMM C=CCn1c(-c2sc(NC(=O)[C@@H]3C[C@H]3C3CC3)nc2C)n[n-]c1=S ZINC000175928083 930486128 /nfs/dbraw/zinc/48/61/28/930486128.db2.gz AXYSXXIQRVHKNB-WDEREUQCSA-N -1 1 361.496 3.543 20 30 FHEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(C)cc(C(N)=O)c1 ZINC000656732348 932361529 /nfs/dbraw/zinc/36/15/29/932361529.db2.gz XCIYSWSNPGDCBD-UHFFFAOYSA-N -1 1 372.490 3.747 20 30 FHEDMM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000076822034 932406948 /nfs/dbraw/zinc/40/69/48/932406948.db2.gz QYHHOIUWSQPUIU-MRXNPFEDSA-N -1 1 365.824 3.731 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1-c1ncco1 ZINC000178227553 932921981 /nfs/dbraw/zinc/92/19/81/932921981.db2.gz VNOONIFZGOKYFY-UHFFFAOYSA-N -1 1 353.403 3.631 20 30 FHEDMM C=C(C)CN(C)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000181319306 934649974 /nfs/dbraw/zinc/64/99/74/934649974.db2.gz YAGTVYVGHWBXKZ-UHFFFAOYSA-N -1 1 355.463 3.668 20 30 FHEDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2)oc1C ZINC000427120857 945107487 /nfs/dbraw/zinc/10/74/87/945107487.db2.gz FFAFYXDIROIMQB-UHFFFAOYSA-N -1 1 371.393 3.770 20 30 FHEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2OC2CCCC2)c(=O)o1 ZINC000255504950 935624425 /nfs/dbraw/zinc/62/44/25/935624425.db2.gz CYDBBSHUUZVRFH-MONCILHSSA-N -1 1 374.820 3.890 20 30 FHEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1 ZINC000511132328 935753428 /nfs/dbraw/zinc/75/34/28/935753428.db2.gz VQPFGCOWRQACQP-UHFFFAOYSA-N -1 1 372.490 3.602 20 30 FHEDMM CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000187925708 938454467 /nfs/dbraw/zinc/45/44/67/938454467.db2.gz LORAFUHCWAOVRX-GOSISDBHSA-N -1 1 360.417 3.611 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3nc(C)ccc3c2)n1 ZINC000536172863 938506772 /nfs/dbraw/zinc/50/67/72/938506772.db2.gz LWKBVROGIYVQJC-CQSZACIVSA-N -1 1 365.414 3.667 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1[O-] ZINC000187998890 938999749 /nfs/dbraw/zinc/99/97/49/938999749.db2.gz PUIAZMXHVVMCHX-QGZVFWFLSA-N -1 1 374.400 3.681 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000179377902 939137854 /nfs/dbraw/zinc/13/78/54/939137854.db2.gz IFYHVTOKSUSVAZ-UHFFFAOYSA-N -1 1 363.442 3.653 20 30 FHEDMM N#Cc1ccc(CN(C(=O)c2ccc(Br)cc2[O-])C2CC2)cc1 ZINC000179390333 939139377 /nfs/dbraw/zinc/13/93/77/939139377.db2.gz OECMSDXEWHAKPO-UHFFFAOYSA-N -1 1 371.234 3.831 20 30 FHEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1C(F)(F)F ZINC000427313992 945265654 /nfs/dbraw/zinc/26/56/54/945265654.db2.gz LEDRINMZEJWMIZ-UHFFFAOYSA-N -1 1 374.315 3.526 20 30 FHEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3CC#N)cc(Cl)c2O1 ZINC000193362571 939875844 /nfs/dbraw/zinc/87/58/44/939875844.db2.gz GOPMRSAKRRTMOU-NSHDSACASA-N -1 1 362.838 3.530 20 30 FHEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000236057361 939914404 /nfs/dbraw/zinc/91/44/04/939914404.db2.gz VTQJTZQHZXMDPQ-UHFFFAOYSA-N -1 1 371.643 3.775 20 30 FHEDMM N#CC(=C([O-])c1cccc2c1CC(=O)CC2)c1nc2cc(F)ccc2s1 ZINC000685788271 940178682 /nfs/dbraw/zinc/17/86/82/940178682.db2.gz ZXQRZDLBGVQDPD-MRXNPFEDSA-N -1 1 364.401 3.983 20 30 FHEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@H](c3ccccc3)[C@H]2C)o1 ZINC000820109019 945353921 /nfs/dbraw/zinc/35/39/21/945353921.db2.gz ZOQDPYNGBBOXHR-OCCSQVGLSA-N -1 1 365.441 3.645 20 30 FHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000177825217 941151353 /nfs/dbraw/zinc/15/13/53/941151353.db2.gz BADFAJQNSIMOJU-UHFFFAOYSA-N -1 1 365.798 3.538 20 30 FHEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1F ZINC000189284957 941155388 /nfs/dbraw/zinc/15/53/88/941155388.db2.gz WEADQDIAXHWBGN-UHFFFAOYSA-N -1 1 358.316 3.603 20 30 FHEDMM N#Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1[O-] ZINC000189863185 941290477 /nfs/dbraw/zinc/29/04/77/941290477.db2.gz IHQPABWHDPWSDO-UHFFFAOYSA-N -1 1 363.442 3.893 20 30 FHEDMM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(F)cc1 ZINC000041494462 942405122 /nfs/dbraw/zinc/40/51/22/942405122.db2.gz SSTVMNCWIXUNSB-OAHLLOKOSA-N -1 1 359.364 3.686 20 30 FHEDMM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1nc2ccccc2n1C(F)F ZINC000434620030 942806334 /nfs/dbraw/zinc/80/63/34/942806334.db2.gz HQAQBNOTDIPTMD-LLVKDONJSA-N -1 1 367.315 3.905 20 30 FHEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000416526636 942915181 /nfs/dbraw/zinc/91/51/81/942915181.db2.gz DGRKEUOKADWVJE-UHFFFAOYSA-N -1 1 355.674 3.865 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)ccc2C2CC2)n1 ZINC000425303776 943257662 /nfs/dbraw/zinc/25/76/62/943257662.db2.gz PBHKRSGWEAVSDE-OAHLLOKOSA-N -1 1 354.431 3.996 20 30 FHEDMM CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)c2C1 ZINC000435718724 943578451 /nfs/dbraw/zinc/57/84/51/943578451.db2.gz GDKNHHKPSBAAHP-UHFFFAOYSA-N -1 1 369.490 3.783 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)ccc1C#N ZINC000435733278 943587554 /nfs/dbraw/zinc/58/75/54/943587554.db2.gz SCXVHCGDUXPPIB-UHFFFAOYSA-N -1 1 354.435 3.598 20 30 FHEDMM CC(C)[C@H]1C[C@@](NCc2ccc(C#N)cc2F)(C(=O)[O-])c2ccccc21 ZINC000417576855 943734754 /nfs/dbraw/zinc/73/47/54/943734754.db2.gz IGZIOPHGSLZBDQ-UTKZUKDTSA-N -1 1 352.409 3.910 20 30 FHEDMM N#CCCCOc1cccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000417648409 943783803 /nfs/dbraw/zinc/78/38/03/943783803.db2.gz NYIRJYPUNAAWFL-UHFFFAOYSA-N -1 1 360.360 3.635 20 30 FHEDMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000515699469 944139823 /nfs/dbraw/zinc/13/98/23/944139823.db2.gz WRARNNUUIFTUPT-UHFFFAOYSA-N -1 1 350.827 3.801 20 30 FHEDMM N#CCc1ccc(OCc2cccc(NC(=O)c3cncc([O-])c3)c2)cc1 ZINC000111570569 944303349 /nfs/dbraw/zinc/30/33/49/944303349.db2.gz LOWFKIFNQJLXQZ-UHFFFAOYSA-N -1 1 359.385 3.685 20 30 FHEDMM N#C[C@H](C(=O)[C@H]1CC12CCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000759815437 944372459 /nfs/dbraw/zinc/37/24/59/944372459.db2.gz RLVUDTPMZDRSHK-VXGBXAGGSA-N -1 1 353.447 3.642 20 30 FHEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OCC(C)C)cc2)n1 ZINC000516346386 944752936 /nfs/dbraw/zinc/75/29/36/944752936.db2.gz HSYSJLVQDLSCTG-HNNXBMFYSA-N -1 1 372.446 3.845 20 30 FHEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000439619998 944798253 /nfs/dbraw/zinc/79/82/53/944798253.db2.gz IJVHAYIJZPKILT-UHFFFAOYSA-N -1 1 369.368 3.810 20 30 FHEDMM N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000436924561 944810774 /nfs/dbraw/zinc/81/07/74/944810774.db2.gz WZSIYGBKDLFEJE-UHFFFAOYSA-N -1 1 358.353 3.878 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCCCCCOc2ccccc2)o1 ZINC000820198429 945371553 /nfs/dbraw/zinc/37/15/53/945371553.db2.gz VNZOKAODAZXNKK-UHFFFAOYSA-N -1 1 369.429 3.625 20 30 FHEDMM CCOc1ccc(C#N)cc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000186692600 946859952 /nfs/dbraw/zinc/85/99/52/946859952.db2.gz WPPASHIPOACIBK-UHFFFAOYSA-N -1 1 360.797 3.967 20 30 FHEDMM C=CCOc1ccc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000301416975 947334022 /nfs/dbraw/zinc/33/40/22/947334022.db2.gz BDDUEAFBYITVHY-UHFFFAOYSA-N -1 1 360.373 3.878 20 30 FHEDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1[N+](=O)[O-] ZINC000585733241 948241886 /nfs/dbraw/zinc/24/18/86/948241886.db2.gz YOGOYMGTJIVCQU-UHFFFAOYSA-N -1 1 373.434 3.759 20 30 FHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1-c1ccncc1 ZINC000427629814 948695827 /nfs/dbraw/zinc/69/58/27/948695827.db2.gz OYWWHEPSTUAOLC-UHFFFAOYSA-N -1 1 367.405 3.869 20 30 FHEDMM CCOC(=O)C(=C([O-])CSc1ccc(C#N)c(C)c1)c1nc(C)cs1 ZINC000569120554 568278525 /nfs/dbraw/zinc/27/85/25/568278525.db2.gz YKQLLUBUIZVILX-INIZCTEOSA-N -1 1 374.487 3.640 20 30 FHEDMM N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1nc2cc(F)ccc2s1 ZINC000604691245 568346988 /nfs/dbraw/zinc/34/69/88/568346988.db2.gz SVRCZWVMQMFRJA-AWEZNQCLSA-N -1 1 363.377 3.506 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000735939247 599032577 /nfs/dbraw/zinc/03/25/77/599032577.db2.gz MDOCAHULQHLJNA-CYBMUJFWSA-N -1 1 369.404 3.853 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2Cc2ccccc2)o1 ZINC000735938871 599284782 /nfs/dbraw/zinc/28/47/82/599284782.db2.gz FURXQXPKUDGLEQ-CQSZACIVSA-N -1 1 365.441 3.789 20 30 FHEDMM C=CCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735416812 598414328 /nfs/dbraw/zinc/41/43/28/598414328.db2.gz QTYPPDVVTJOOLP-UHFFFAOYSA-N -1 1 354.341 3.531 20 30 FHEDMM C=CCCOC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735416812 598414330 /nfs/dbraw/zinc/41/43/30/598414330.db2.gz QTYPPDVVTJOOLP-UHFFFAOYSA-N -1 1 354.341 3.531 20 30 FHEDMM CCCC(Cc1ccccc1)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736427611 598437364 /nfs/dbraw/zinc/43/73/64/598437364.db2.gz YFENFNNGTJFJJX-UHFFFAOYSA-N -1 1 367.457 3.963 20 30 FHEDMM CCCC(Cc1ccccc1)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000736425106 598437375 /nfs/dbraw/zinc/43/73/75/598437375.db2.gz AUWMCUSJNITVFO-UHFFFAOYSA-N -1 1 367.457 3.864 20 30 FHEDMM Cc1ccccc1C1CC(N=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)C1 ZINC000822350626 599337598 /nfs/dbraw/zinc/33/75/98/599337598.db2.gz FIFARICIARPLKL-UHFFFAOYSA-N -1 1 365.441 3.707 20 30 FHEDMM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c(F)c1 ZINC000739118205 599792115 /nfs/dbraw/zinc/79/21/15/599792115.db2.gz PBCDXCKNKRSZQR-HNNXBMFYSA-N -1 1 352.287 3.632 20 30 FHEDMM N#Cc1ccc([C@H](NCc2ccc(OC3CCCCC3)nc2)C(=O)[O-])cc1 ZINC000739104448 600596728 /nfs/dbraw/zinc/59/67/28/600596728.db2.gz AZCDKTAPUZLHID-FQEVSTJZSA-N -1 1 365.433 3.580 20 30 FHEDMM CC(C)c1nn(-c2ccccc2)cc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827163934 601852428 /nfs/dbraw/zinc/85/24/28/601852428.db2.gz FLNUHYAXKRQJCI-NRFANRHFSA-N -1 1 374.444 3.783 20 30 FHEDMM CC(C)N(Cc1ccc(N(C)C)cc1)Cc1cccc(C(=O)[O-])c1C#N ZINC000833496419 604604770 /nfs/dbraw/zinc/60/47/70/604604770.db2.gz KAGHQQUUPXUXTG-UHFFFAOYSA-N -1 1 351.450 3.733 20 30 FHEDMM CC[C@](NCc1ccc(C#N)cc1Br)(C(=O)[O-])c1ccccc1 ZINC000833645835 605362999 /nfs/dbraw/zinc/36/29/99/605362999.db2.gz YYEIQLJTDDUDHC-GOSISDBHSA-N -1 1 373.250 3.800 20 30 FHEDMM CC(C)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820103336 606388842 /nfs/dbraw/zinc/38/88/42/606388842.db2.gz VLUDMGPVQQLGNA-CLFYSBASSA-N -1 1 354.435 3.859 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cccc(OC(F)(F)F)c1 ZINC000822929141 606392774 /nfs/dbraw/zinc/39/27/74/606392774.db2.gz QGCWEDYKQXNLQI-XQRVVYSFSA-N -1 1 366.324 3.723 20 30 FHEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820220881 606556087 /nfs/dbraw/zinc/55/60/87/606556087.db2.gz YSCPSPYIRPPRJI-JTQLQIEISA-N -1 1 370.463 3.575 20 30 FHEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820220881 606556088 /nfs/dbraw/zinc/55/60/88/606556088.db2.gz YSCPSPYIRPPRJI-JTQLQIEISA-N -1 1 370.463 3.575 20 30 FHEDMM CC(C)c1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000824352368 607813831 /nfs/dbraw/zinc/81/38/31/607813831.db2.gz BFZQPVXYWVSGCP-DHZHZOJOSA-N -1 1 352.419 3.710 20 30 FHEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1SC ZINC000826179083 608092027 /nfs/dbraw/zinc/09/20/27/608092027.db2.gz YQHRTIIXECTPQW-HYXAFXHYSA-N -1 1 358.448 3.555 20 30 FHEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1SC ZINC000826179083 608092028 /nfs/dbraw/zinc/09/20/28/608092028.db2.gz YQHRTIIXECTPQW-HYXAFXHYSA-N -1 1 358.448 3.555 20 30 FHEDMM CC1(C)CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)s3)ccc2O1 ZINC000824808720 608092508 /nfs/dbraw/zinc/09/25/08/608092508.db2.gz XOCGXEPRHJIJHQ-HWKANZROSA-N -1 1 366.446 3.928 20 30 FHEDMM CC1(C)CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)s3)ccc2O1 ZINC000824808720 608092509 /nfs/dbraw/zinc/09/25/09/608092509.db2.gz XOCGXEPRHJIJHQ-HWKANZROSA-N -1 1 366.446 3.928 20 30 FHEDMM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826273839 608092999 /nfs/dbraw/zinc/09/29/99/608092999.db2.gz WNVHJBCJUQXTDX-SREVYHEPSA-N -1 1 362.418 3.523 20 30 FHEDMM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826273839 608093000 /nfs/dbraw/zinc/09/30/00/608093000.db2.gz WNVHJBCJUQXTDX-SREVYHEPSA-N -1 1 362.418 3.523 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCC[C@@H](c3ccccc3)C2)o1 ZINC000826323147 608228676 /nfs/dbraw/zinc/22/86/76/608228676.db2.gz RYWHCWRKKYMUMY-CQSZACIVSA-N -1 1 351.414 3.679 20 30 FHEDMM O=C(C=Cc1ncc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826402736 608884285 /nfs/dbraw/zinc/88/42/85/608884285.db2.gz ARHNTTKQUMKJAI-RMKNXTFCSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C(C=Cc1ncc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826402736 608884287 /nfs/dbraw/zinc/88/42/87/608884287.db2.gz ARHNTTKQUMKJAI-RMKNXTFCSA-N -1 1 365.443 3.948 20 30 FHEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)n1 ZINC000126834130 927294747 /nfs/dbraw/zinc/29/47/47/927294747.db2.gz SHCOFLHUISCEKI-UHFFFAOYSA-N -1 1 373.821 3.976 20 30 FHEDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000580458671 930699713 /nfs/dbraw/zinc/69/97/13/930699713.db2.gz ZXFUNGAVHBQPGS-UHFFFAOYSA-N -1 1 359.407 3.565 20 30 FHEDMM COc1ccc([O-])c(C(=O)/C=C\c2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000588394304 931352337 /nfs/dbraw/zinc/35/23/37/931352337.db2.gz CFEHQENTXUWZEZ-CLFYSBASSA-N -1 1 359.385 3.569 20 30 FHEDMM O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N-]CC(F)(F)F ZINC000255926056 931422105 /nfs/dbraw/zinc/42/21/05/931422105.db2.gz BASCXWDYPJVBFG-UHFFFAOYSA-N -1 1 369.183 3.782 20 30 FHEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1C#N ZINC000610928286 934626281 /nfs/dbraw/zinc/62/62/81/934626281.db2.gz RDAVSTVPUROSCN-UHFFFAOYSA-N -1 1 368.817 3.939 20 30 FHEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2CCC[C@@H]2c2ccc(Cl)cc2)o1 ZINC000737467747 945074014 /nfs/dbraw/zinc/07/40/14/945074014.db2.gz SGXHDBXVUZRQRB-GFCCVEGCSA-N -1 1 357.805 3.552 20 30 FHEDMM N#CC(=C([O-])c1cccc(N2CCCC2=O)c1)c1nc(C2CC2)cs1 ZINC000647376382 939071082 /nfs/dbraw/zinc/07/10/82/939071082.db2.gz ROYCGKQCBXKBFZ-HNNXBMFYSA-N -1 1 351.431 3.637 20 30 FHEDMM N#CC(=C([O-])c1ccc2c(c1)SCC(=O)N2)c1nc(C2CC2)cs1 ZINC000647379748 939085391 /nfs/dbraw/zinc/08/53/91/939085391.db2.gz KCSROBKYXQGWFF-LLVKDONJSA-N -1 1 355.444 3.555 20 30 FHEDMM Cc1cc(C(C#N)=C([O-])C2=Cc3ccccc3O[C@H]2C(F)(F)F)nc(C)n1 ZINC000892475852 939915925 /nfs/dbraw/zinc/91/59/25/939915925.db2.gz OFMGYOSBRQUYSS-KBXCAEBGSA-N -1 1 373.334 3.677 20 30 FHEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(CC3CC3)s2)cc1 ZINC000892490042 940026519 /nfs/dbraw/zinc/02/65/19/940026519.db2.gz OIYMMAGBIYXNNZ-OAHLLOKOSA-N -1 1 353.447 3.619 20 30 FHEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1F ZINC000188575428 940108919 /nfs/dbraw/zinc/10/89/19/940108919.db2.gz OKVKXAPIXSUDDT-UHFFFAOYSA-N -1 1 374.315 3.526 20 30 FHEDMM CCCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000511442354 940474954 /nfs/dbraw/zinc/47/49/54/940474954.db2.gz HJOPNBTZPAOJBG-MRXNPFEDSA-N -1 1 355.463 3.814 20 30 FHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(CNC(=O)C(C)(C)C)cc2)n1 ZINC000173899189 940685463 /nfs/dbraw/zinc/68/54/63/940685463.db2.gz VDWWHHRLENKSFO-OAHLLOKOSA-N -1 1 355.463 3.604 20 30 FHEDMM CC(=O)c1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1OC(C)C ZINC000659024628 941022936 /nfs/dbraw/zinc/02/29/36/941022936.db2.gz HEXCIGHWVREGKA-KRWDZBQOSA-N -1 1 351.406 3.573 20 30 FHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000189313983 941155952 /nfs/dbraw/zinc/15/59/52/941155952.db2.gz SHMTYYJJLGKXOX-UHFFFAOYSA-N -1 1 354.353 3.772 20 30 FHEDMM CCOc1ccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1OCC ZINC000189844035 941287512 /nfs/dbraw/zinc/28/75/12/941287512.db2.gz ZRYVORFFIMKZDI-ZDUSSCGKSA-N -1 1 354.406 3.552 20 30 FHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc([C@H]3CCC(=O)N3)cc2)n1 ZINC000892802435 941569887 /nfs/dbraw/zinc/56/98/87/941569887.db2.gz MLZHDLUBDJMMGI-HUUCEWRRSA-N -1 1 353.447 3.708 20 30 FHEDMM CC(C)(C)c1cc([N-]C(=O)c2ccc(S(C)(=O)=O)s2)c(C#N)s1 ZINC000421494747 942607101 /nfs/dbraw/zinc/60/71/01/942607101.db2.gz GQPWAVKFKDMITG-UHFFFAOYSA-N -1 1 368.505 3.635 20 30 FHEDMM Cc1cnc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)c([O-])c1 ZINC000425082629 942686933 /nfs/dbraw/zinc/68/69/33/942686933.db2.gz GGPKCGJGNNRVBA-LBPRGKRZSA-N -1 1 363.339 3.669 20 30 FHEDMM N#CCCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000505558517 943025742 /nfs/dbraw/zinc/02/57/42/943025742.db2.gz DMDWJNIFWSSEHF-UHFFFAOYSA-N -1 1 374.422 3.501 20 30 FHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1F ZINC000435164208 943224836 /nfs/dbraw/zinc/22/48/36/943224836.db2.gz HIHLBTLAOSIWRY-UHFFFAOYSA-N -1 1 358.316 3.825 20 30 FHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1C ZINC000416936710 943235975 /nfs/dbraw/zinc/23/59/75/943235975.db2.gz IIAMPWFQSWDLRH-ZDUSSCGKSA-N -1 1 367.521 3.955 20 30 FHEDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)ccc1C#N ZINC000435756563 943604995 /nfs/dbraw/zinc/60/49/95/943604995.db2.gz RZADSXRUXUFIHP-UHFFFAOYSA-N -1 1 355.463 3.658 20 30 FHEDMM N#C[C@H](C(=O)[C@@H]1CC12CCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000759815433 944372567 /nfs/dbraw/zinc/37/25/67/944372567.db2.gz RLVUDTPMZDRSHK-NEPJUHHUSA-N -1 1 353.447 3.642 20 30 FHEDMM C=CC[C@H](CC)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000439376746 944570982 /nfs/dbraw/zinc/57/09/82/944570982.db2.gz KTSLIUZHOLELEO-HNNXBMFYSA-N -1 1 373.478 3.964 20 30 FHEDMM C=CCN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1CC1 ZINC000436766198 944614559 /nfs/dbraw/zinc/61/45/59/944614559.db2.gz RKEUUMGGUKAZJL-UHFFFAOYSA-N -1 1 372.371 3.713 20 30 FHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000438767487 945008280 /nfs/dbraw/zinc/00/82/80/945008280.db2.gz AHWSIVLUOPZSDS-UHFFFAOYSA-N -1 1 354.353 3.772 20 30 FHEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2C[C@H](c3ccccc3)[C@H]2C)o1 ZINC000820197762 945371976 /nfs/dbraw/zinc/37/19/76/945371976.db2.gz NLSKTGYQRISKNU-YPMHNXCESA-N -1 1 351.414 3.570 20 30 FHEDMM C=CC[C@H]1N(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CCCC1(C)C ZINC000444639918 947081568 /nfs/dbraw/zinc/08/15/68/947081568.db2.gz QZEAWPNMVWKXJT-QGZVFWFLSA-N -1 1 370.497 3.578 20 30 FHEDMM COc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c([O-])c1 ZINC000436566332 567883428 /nfs/dbraw/zinc/88/34/28/567883428.db2.gz XEBRDCXYVMEFIR-UHFFFAOYSA-N -1 1 365.414 3.572 20 30 FHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([N+](=O)[O-])[nH]3)n2)cc1 ZINC000603836558 568159584 /nfs/dbraw/zinc/15/95/84/568159584.db2.gz FGBBWWRZWVHHNQ-GFCCVEGCSA-N -1 1 352.375 3.845 20 30 FHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc([N+](=O)[O-])cn3C)n2)cc1 ZINC000603836672 568159708 /nfs/dbraw/zinc/15/97/08/568159708.db2.gz YUJXJTMNJNHMOK-CQSZACIVSA-N -1 1 366.402 3.855 20 30 FHEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1C ZINC000603982862 568194385 /nfs/dbraw/zinc/19/43/85/568194385.db2.gz PTNVITYJWBKRCA-UHFFFAOYSA-N -1 1 374.462 3.877 20 30 FHEDMM C=CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000604881184 568383724 /nfs/dbraw/zinc/38/37/24/568383724.db2.gz ICVQIEJRPYPGGS-INIZCTEOSA-N -1 1 372.490 3.799 20 30 FHEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC(Cc2ccccc2)C2CC2)o1 ZINC000735657901 598787140 /nfs/dbraw/zinc/78/71/40/598787140.db2.gz XAGRDFOCUNBARJ-UHFFFAOYSA-N -1 1 365.441 3.573 20 30 FHEDMM CC(=[NH+][N-]c1ccc(C(=O)[O-])cn1)c1ccc(N2CCCCCC2)cc1 ZINC000763369579 604666840 /nfs/dbraw/zinc/66/68/40/604666840.db2.gz IJVIXEGGTYHLOS-UHFFFAOYSA-N -1 1 352.438 3.996 20 30 FHEDMM N#Cc1ccc(CN[C@@H](CNC(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000833971957 605632238 /nfs/dbraw/zinc/63/22/38/605632238.db2.gz QWRCWCNUXSNVKF-SFHVURJKSA-N -1 1 351.431 3.871 20 30 FHEDMM C=C(Cl)COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000819730220 606389972 /nfs/dbraw/zinc/38/99/72/606389972.db2.gz SRURJDZSQGLUAP-VURMDHGXSA-N -1 1 372.837 3.956 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1nc(-c2ccccc2)cs1 ZINC000822928272 606391591 /nfs/dbraw/zinc/39/15/91/606391591.db2.gz FYQNTLVGFWSZHX-SOFGYWHQSA-N -1 1 365.443 3.948 20 30 FHEDMM O=C1c2c([nH]c3ccc(F)cc32)CCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823505024 606391795 /nfs/dbraw/zinc/39/17/95/606391795.db2.gz XAVFNHKZHSMZAA-CLFYSBASSA-N -1 1 365.393 3.761 20 30 FHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(C(F)(F)F)cc1 ZINC000822921953 606391866 /nfs/dbraw/zinc/39/18/66/606391866.db2.gz BACIYSNBBIMMJR-FNORWQNLSA-N -1 1 350.325 3.843 20 30 FHEDMM CCN(CC)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000825418186 608091631 /nfs/dbraw/zinc/09/16/31/608091631.db2.gz YFTJXHPQMYKABZ-JXMROGBWSA-N -1 1 353.451 3.671 20 30 FHEDMM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000824347629 608091741 /nfs/dbraw/zinc/09/17/41/608091741.db2.gz IANWBTFNRAZDPJ-GQCTYLIASA-N -1 1 369.406 3.856 20 30 FHEDMM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000824347629 608091742 /nfs/dbraw/zinc/09/17/42/608091742.db2.gz IANWBTFNRAZDPJ-GQCTYLIASA-N -1 1 369.406 3.856 20 30 FHEDMM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826401336 608092803 /nfs/dbraw/zinc/09/28/03/608092803.db2.gz WCCMHJIFXPRXCP-DUXPYHPUSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1ccc(F)cc1C(F)(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826401336 608092804 /nfs/dbraw/zinc/09/28/04/608092804.db2.gz WCCMHJIFXPRXCP-DUXPYHPUSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400013 608093005 /nfs/dbraw/zinc/09/30/05/608093005.db2.gz MURWOLRGCSTDFN-OWOJBTEDSA-N -1 1 368.315 3.982 20 30 FHEDMM O=C(C=Cc1cc(F)cc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400013 608093006 /nfs/dbraw/zinc/09/30/06/608093006.db2.gz MURWOLRGCSTDFN-OWOJBTEDSA-N -1 1 368.315 3.982 20 30 FHEDMM