smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c2c(sc1NC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1)CCCCC2 ZINC000011809234 845834508 /nfs/dbraw/zinc/83/45/08/845834508.db2.gz DBBGOWAQAJSNQD-UHFFFAOYSA-N -1 3 412.298 4.319 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000020000237 846374241 /nfs/dbraw/zinc/37/42/41/846374241.db2.gz GUTYOKNLQSIJLS-UHFFFAOYSA-N -1 3 412.902 4.212 20 30 HIEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3c([O-])cccc3O)s2)c(C(F)(F)F)c1 ZINC000436650331 861882103 /nfs/dbraw/zinc/88/21/03/861882103.db2.gz YYUDIBLCMYARHS-UHFFFAOYSA-N -1 3 419.384 4.288 20 30 HIEDHM N#Cc1cccc([C@H]2CN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CCO2)c1 ZINC000436700534 861896697 /nfs/dbraw/zinc/89/66/97/861896697.db2.gz VYZOSKGVQMYMBO-HSZRJFAPSA-N -1 3 400.434 4.270 20 30 HIEDHM C=CCn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1ccc(F)cc1 ZINC000436705326 861897463 /nfs/dbraw/zinc/89/74/63/861897463.db2.gz MPKPBRUTLXRRIT-UHFFFAOYSA-N -1 3 409.446 4.318 20 30 HIEDHM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045571448 848692646 /nfs/dbraw/zinc/69/26/46/848692646.db2.gz GYUQAYSSHGHPTR-UHFFFAOYSA-N -1 3 417.800 4.457 20 30 HIEDHM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045571448 848692653 /nfs/dbraw/zinc/69/26/53/848692653.db2.gz GYUQAYSSHGHPTR-UHFFFAOYSA-N -1 3 417.800 4.457 20 30 HIEDHM C=CCN(Cc1ccccc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436924649 862106000 /nfs/dbraw/zinc/10/60/00/862106000.db2.gz XSUHQIJLICSZDI-XMMPIXPASA-N -1 3 414.505 4.468 20 30 HIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000195659688 853742372 /nfs/dbraw/zinc/74/23/72/853742372.db2.gz SYIYPWWXCQYIIB-LBPRGKRZSA-N -1 3 417.227 4.279 20 30 HIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000195659686 853742516 /nfs/dbraw/zinc/74/25/16/853742516.db2.gz SYIYPWWXCQYIIB-GFCCVEGCSA-N -1 3 417.227 4.279 20 30 HIEDHM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1OC(F)F ZINC000195662693 853744381 /nfs/dbraw/zinc/74/43/81/853744381.db2.gz SUSHULIZEJDJLV-CYBMUJFWSA-N -1 3 401.394 4.305 20 30 HIEDHM CCCc1ncc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)s1 ZINC000303957824 855320234 /nfs/dbraw/zinc/32/02/34/855320234.db2.gz YDFBZYALKUWRST-UHFFFAOYSA-N -1 3 401.542 4.363 20 30 HIEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(F)cc1Br ZINC000319133976 855385320 /nfs/dbraw/zinc/38/53/20/855385320.db2.gz WQEBASJUQMYLKF-UHFFFAOYSA-N -1 3 403.660 4.223 20 30 HIEDHM COc1cccc([C@H](CC(=O)[O-])NCc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000426779701 856474664 /nfs/dbraw/zinc/47/46/64/856474664.db2.gz KLQRWANOUAHRGG-DEOSSOPVSA-N -1 3 416.477 4.451 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(-c4noc(CC(C)(C)C)n4)c3)nc1-2 ZINC000429576958 857763662 /nfs/dbraw/zinc/76/36/62/857763662.db2.gz ZGZYTRKHAIIAKZ-INIZCTEOSA-N -1 3 414.469 4.395 20 30 HIEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(O[C@@H]4CCOC4)cc3)n2)cc1 ZINC000434622088 860435382 /nfs/dbraw/zinc/43/53/82/860435382.db2.gz AIBBWFKRUDVOTN-WOJBJXKFSA-N -1 3 420.490 4.476 20 30 HIEDHM Cc1sc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)nc1-c1ccc(Cl)cc1 ZINC000443026064 867796013 /nfs/dbraw/zinc/79/60/13/867796013.db2.gz MZQLUCYZMAJODR-UHFFFAOYSA-N -1 3 421.906 4.261 20 30 HIEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc(-c2ccccc2)cs1 ZINC000443069206 867810251 /nfs/dbraw/zinc/81/02/51/867810251.db2.gz MEUNDNJCZJIBNK-GFCCVEGCSA-N -1 3 403.916 4.375 20 30 HIEDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CCCC2)n1 ZINC000443083439 867814920 /nfs/dbraw/zinc/81/49/20/867814920.db2.gz VIRWVNWTKZRSCQ-UHFFFAOYSA-N -1 3 415.462 4.090 20 30 HIEDHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000468341807 882276328 /nfs/dbraw/zinc/27/63/28/882276328.db2.gz WLWKIEUWVHCBGO-NSHDSACASA-N -1 3 415.298 4.080 20 30 HIEDHM Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000448179352 872055884 /nfs/dbraw/zinc/05/58/84/872055884.db2.gz PLLOLYIRUPDRAH-RBBKRZOGSA-N -1 3 407.514 4.023 20 30 HIEDHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000460825047 873708451 /nfs/dbraw/zinc/70/84/51/873708451.db2.gz UHHHZFMOGOBXTA-UHFFFAOYSA-N -1 3 424.478 4.180 20 30 HIEDHM COc1cccc(F)c1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000462110060 875216323 /nfs/dbraw/zinc/21/63/23/875216323.db2.gz GJGVPNKUVCMSAO-UHFFFAOYSA-N -1 3 400.460 4.102 20 30 HIEDHM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000464202564 877372601 /nfs/dbraw/zinc/37/26/01/877372601.db2.gz BXSJEKHDXMGHCC-QGZVFWFLSA-N -1 3 409.239 4.274 20 30 HIEDHM N#CC(=C([O-])c1cccc(I)c1)c1cc(C(F)(F)F)ccn1 ZINC000464420943 877630780 /nfs/dbraw/zinc/63/07/80/877630780.db2.gz KDVQKACPTQZEBM-GFCCVEGCSA-N -1 3 416.140 4.195 20 30 HIEDHM CC(C)(C)C(=O)NCc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464464629 877686861 /nfs/dbraw/zinc/68/68/61/877686861.db2.gz DZIHEJVFQWYSFA-MRXNPFEDSA-N -1 3 403.404 4.253 20 30 HIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(S(=O)(=O)c4ccccc4)s3)nc21 ZINC000467427969 881219552 /nfs/dbraw/zinc/21/95/52/881219552.db2.gz NRQKZXHLZKCBLK-HNNXBMFYSA-N -1 3 421.503 4.256 20 30 HIEDHM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000503664154 912771113 /nfs/dbraw/zinc/77/11/13/912771113.db2.gz UUOIBMGDRLZJOV-UHFFFAOYSA-N -1 3 403.392 4.263 20 30 HIEDHM O=C([N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471144519 885688791 /nfs/dbraw/zinc/68/87/91/885688791.db2.gz SAHJDDYWJHVHEU-CABZTGNLSA-N -1 3 406.729 4.083 20 30 HIEDHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000475484976 890389572 /nfs/dbraw/zinc/38/95/72/890389572.db2.gz IJOUMQODHSLQCD-UHFFFAOYSA-N -1 3 413.528 4.449 20 30 HIEDHM N#CCCN(C(=O)CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000476125234 891047638 /nfs/dbraw/zinc/04/76/38/891047638.db2.gz AFLAZVVWSMNJPV-UHFFFAOYSA-N -1 3 405.376 4.077 20 30 HIEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000505083960 913810474 /nfs/dbraw/zinc/81/04/74/913810474.db2.gz PWCQUQDGDHFQBA-UHFFFAOYSA-N -1 3 419.506 4.157 20 30 HIEDHM CS(=O)(=O)c1csc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)c1 ZINC000505126394 913830833 /nfs/dbraw/zinc/83/08/33/913830833.db2.gz RZNBGJZPMQDYNW-UHFFFAOYSA-N -1 3 414.533 4.103 20 30 HIEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1Br ZINC000479107409 894373711 /nfs/dbraw/zinc/37/37/11/894373711.db2.gz KVRAVULYTLQABD-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000479377388 894679001 /nfs/dbraw/zinc/67/90/01/894679001.db2.gz NYBZNAXEFAQODN-UHFFFAOYSA-N -1 3 410.854 4.107 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000482403884 897945170 /nfs/dbraw/zinc/94/51/70/897945170.db2.gz SZPFVBKHTUHESX-UHFFFAOYSA-N -1 3 405.420 4.190 20 30 HIEDHM CCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1cccc(Cl)c1 ZINC000482710785 898311402 /nfs/dbraw/zinc/31/14/02/898311402.db2.gz GEVRTGVJFSYQOY-UHFFFAOYSA-N -1 3 423.904 4.249 20 30 HIEDHM N#CC(=C([O-])c1ccc(CNC(=O)c2cccs2)cc1)c1cnc2ccccc2n1 ZINC000483197631 898853366 /nfs/dbraw/zinc/85/33/66/898853366.db2.gz LFTGIFVBSGHMFX-QGZVFWFLSA-N -1 3 412.474 4.111 20 30 HIEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000500174006 909664203 /nfs/dbraw/zinc/66/42/03/909664203.db2.gz RVYIRRUZRWBYEZ-UHFFFAOYSA-N -1 3 421.339 4.220 20 30 HIEDHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1Cl ZINC000500778172 910074741 /nfs/dbraw/zinc/07/47/41/910074741.db2.gz ITHIKXJCIQMWOP-UHFFFAOYSA-N -1 3 417.840 4.093 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(Br)cc1Cl ZINC000513114520 921560065 /nfs/dbraw/zinc/56/00/65/921560065.db2.gz CZQCZIOTXCKBCO-UHFFFAOYSA-N -1 3 422.710 4.287 20 30 HIEDHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)cc1C ZINC000511114289 919724503 /nfs/dbraw/zinc/72/45/03/919724503.db2.gz HXMSDWACVIFALW-UHFFFAOYSA-N -1 3 423.494 4.480 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2-n2cccc2)nc2ccccc21 ZINC000513661393 921984627 /nfs/dbraw/zinc/98/46/27/921984627.db2.gz RYZJSRQMKZDMHT-INIZCTEOSA-N -1 3 424.439 4.179 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)c2-n2cccc2)nc2ccccc21 ZINC000513672439 921995569 /nfs/dbraw/zinc/99/55/69/921995569.db2.gz ROUHWVLQVZKCBT-SFHVURJKSA-N -1 3 424.439 4.179 20 30 HIEDHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000515929609 923444864 /nfs/dbraw/zinc/44/48/64/923444864.db2.gz VNWDQHFCHXVZKV-GFCCVEGCSA-N -1 3 417.712 4.423 20 30 HIEDHM COC(=O)COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000518174800 927064599 /nfs/dbraw/zinc/06/45/99/927064599.db2.gz RAGKZVWTFIMKIW-GOSISDBHSA-N -1 3 406.463 4.160 20 30 HIEDHM C=CCc1ccc(OC=C([O-])Nc2nc(-c3ccccc3Cl)ns2)c(OC)c1 ZINC000518900783 927610942 /nfs/dbraw/zinc/61/09/42/927610942.db2.gz JRDFJLDJLHQSNU-UHFFFAOYSA-N -1 3 415.902 4.035 20 30 HIEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000520924282 928876714 /nfs/dbraw/zinc/87/67/14/928876714.db2.gz SIERJYLJADQAEF-CYBMUJFWSA-N -1 3 421.544 4.003 20 30 HIEDHM Cc1nc(-c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)cc2)cc(=O)[n-]1 ZINC000521763911 929426439 /nfs/dbraw/zinc/42/64/39/929426439.db2.gz FALIGBNSVIWVER-UHFFFAOYSA-N -1 3 401.470 4.472 20 30 HIEDHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000533607069 931921780 /nfs/dbraw/zinc/92/17/80/931921780.db2.gz UHSOIGQYHWBUSZ-UHFFFAOYSA-N -1 3 403.309 4.401 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000542049151 939699226 /nfs/dbraw/zinc/69/92/26/939699226.db2.gz SVDFSUXRPSIDSW-UHFFFAOYSA-N -1 3 403.429 4.303 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cc(F)cc(Br)c2)no1 ZINC000546977110 940934231 /nfs/dbraw/zinc/93/42/31/940934231.db2.gz JLEQRDKAFOEMLD-UHFFFAOYSA-N -1 3 417.238 4.013 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000550491886 941332513 /nfs/dbraw/zinc/33/25/13/941332513.db2.gz SYXLDWQCHMTKBO-UHFFFAOYSA-N -1 3 405.420 4.279 20 30 HIEDHM N#Cc1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)cnc1C(F)(F)F ZINC000550574832 941341159 /nfs/dbraw/zinc/34/11/59/941341159.db2.gz VXVUFMGHJOGSQI-UHFFFAOYSA-N -1 3 409.780 4.396 20 30 HIEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F ZINC000561978153 944883994 /nfs/dbraw/zinc/88/39/94/944883994.db2.gz FUAXLDJFLCLMMP-GFCCVEGCSA-N -1 3 421.363 4.040 20 30 HIEDHM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000569156196 946826373 /nfs/dbraw/zinc/82/63/73/946826373.db2.gz TZFRBWPQGJFDMH-UHFFFAOYSA-N -1 3 408.882 4.019 20 30 HIEDHM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514788 848224552 /nfs/dbraw/zinc/22/45/52/848224552.db2.gz NPWSXHFMXPTYPN-CQSZACIVSA-N -1 3 409.854 4.284 20 30 HIEDHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000436673208 861889861 /nfs/dbraw/zinc/88/98/61/861889861.db2.gz PZENCSKJTIMDND-AWEZNQCLSA-N -1 3 418.453 4.036 20 30 HIEDHM Cc1cccc(C2(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCCCC2)c1 ZINC000046248869 848811010 /nfs/dbraw/zinc/81/10/10/848811010.db2.gz TWPIITWVWVGXMV-UHFFFAOYSA-N -1 3 405.542 4.123 20 30 HIEDHM N#CC(=C([O-])c1ccc(OC2CCCC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049395276 849309030 /nfs/dbraw/zinc/30/90/30/849309030.db2.gz ASNJFPYLYUTRBN-LJQANCHMSA-N -1 3 414.469 4.009 20 30 HIEDHM CCOc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)c([N+](=O)[O-])cc1OC ZINC000061198063 851316412 /nfs/dbraw/zinc/31/64/12/851316412.db2.gz HRAZPBUJOZSLNM-NSHDSACASA-N -1 3 415.471 4.312 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC000072077901 852498002 /nfs/dbraw/zinc/49/80/02/852498002.db2.gz NNECPXWXVONNBU-LLVKDONJSA-N -1 3 406.313 4.023 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1ccc(OCC(C)C)cc1 ZINC000410051016 855800570 /nfs/dbraw/zinc/80/05/70/855800570.db2.gz VUPQHSDGOOIBBM-UHFFFAOYSA-N -1 3 409.530 4.295 20 30 HIEDHM C=CCOc1c(Br)cc(CN[C@H](C(=O)[O-])c2ccccc2)cc1OCC ZINC000426763296 856464961 /nfs/dbraw/zinc/46/49/61/856464961.db2.gz AKSXIAOVFZEFSF-SFHVURJKSA-N -1 3 420.303 4.328 20 30 HIEDHM COc1ccc([C@H](NCc2cccc(OCc3cccc(C#N)c3)c2)C(=O)[O-])cc1F ZINC000426778488 856473309 /nfs/dbraw/zinc/47/33/09/856473309.db2.gz XYGYCAMQLAJQKP-QHCPKHFHSA-N -1 3 420.440 4.200 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(COc4ccccc4C#N)c3)nc1-2 ZINC000429579390 857764898 /nfs/dbraw/zinc/76/48/98/857764898.db2.gz WNRHQPLBWAYVOI-IBGZPJMESA-N -1 3 407.433 4.207 20 30 HIEDHM N#CCCn1ncc(C(=O)Nc2cc(Br)ccc2[O-])c1-c1ccccc1 ZINC000430259193 858099431 /nfs/dbraw/zinc/09/94/31/858099431.db2.gz DWNALSHEAGLRAM-UHFFFAOYSA-N -1 3 411.259 4.184 20 30 HIEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000431636990 858703579 /nfs/dbraw/zinc/70/35/79/858703579.db2.gz XXXLDAVFPZSAPG-QGZVFWFLSA-N -1 3 423.897 4.151 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1Br ZINC000432770525 859350426 /nfs/dbraw/zinc/35/04/26/859350426.db2.gz HLIILDXNZSVRFP-UHFFFAOYSA-N -1 3 423.185 4.279 20 30 HIEDHM Cc1oc(C#N)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000439105931 864543271 /nfs/dbraw/zinc/54/32/71/864543271.db2.gz FOMXGOSCSLVIRJ-UHFFFAOYSA-N -1 3 409.467 4.130 20 30 HIEDHM Cc1ccc(C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c2ccccn2)cc1 ZINC000443124664 867831258 /nfs/dbraw/zinc/83/12/58/867831258.db2.gz STYAGSBMFMYTLU-FQEVSTJZSA-N -1 3 411.914 4.177 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Br)c(C)c1F ZINC000447638491 871554290 /nfs/dbraw/zinc/55/42/90/871554290.db2.gz AGKFIQFWTFPFFA-UHFFFAOYSA-N -1 3 406.255 4.057 20 30 HIEDHM Cc1cccc(C)c1OC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000465192452 878589684 /nfs/dbraw/zinc/58/96/84/878589684.db2.gz HPSLNKANBXBSOI-NRFANRHFSA-N -1 3 423.557 4.435 20 30 HIEDHM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000503662222 912766318 /nfs/dbraw/zinc/76/63/18/912766318.db2.gz GEPAPLSPWOZDTK-UHFFFAOYSA-N -1 3 403.392 4.263 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000469940446 884135148 /nfs/dbraw/zinc/13/51/48/884135148.db2.gz XYNHLHARMRTLLQ-UHFFFAOYSA-N -1 3 419.447 4.321 20 30 HIEDHM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1OCc1cnn(C)c1 ZINC000474446285 889310539 /nfs/dbraw/zinc/31/05/39/889310539.db2.gz ODXVFRJOEURSSP-INIZCTEOSA-N -1 3 410.499 4.078 20 30 HIEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000475785028 890726417 /nfs/dbraw/zinc/72/64/17/890726417.db2.gz GFUARODKZTYOGV-UHFFFAOYSA-N -1 3 406.442 4.236 20 30 HIEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000480909849 896265562 /nfs/dbraw/zinc/26/55/62/896265562.db2.gz HJEWUCQBQMLICV-INIZCTEOSA-N -1 3 416.462 4.149 20 30 HIEDHM C=CCC[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000483201004 898855565 /nfs/dbraw/zinc/85/55/65/898855565.db2.gz WHLKFHKRCVCIBX-GFCCVEGCSA-N -1 3 421.345 4.349 20 30 HIEDHM N#CC(=C([O-])c1cccc(-n2nccc2C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000483231716 898876064 /nfs/dbraw/zinc/87/60/64/898876064.db2.gz FSDAWNPTFFDTBH-HNNXBMFYSA-N -1 3 407.355 4.324 20 30 HIEDHM Cc1nn(Cc2cccc(Br)c2)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000484575063 900043406 /nfs/dbraw/zinc/04/34/06/900043406.db2.gz YUSBPUVPYJVZJC-KRWDZBQOSA-N -1 3 409.287 4.196 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000513169999 921598174 /nfs/dbraw/zinc/59/81/74/921598174.db2.gz IGTGQVAEWZWBKT-HNNXBMFYSA-N -1 3 409.530 4.090 20 30 HIEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000506893705 915688283 /nfs/dbraw/zinc/68/82/83/915688283.db2.gz HIJAWMSXAAWYLJ-GFCCVEGCSA-N -1 3 424.526 4.171 20 30 HIEDHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(C(F)(F)F)cn1 ZINC000507941266 916809222 /nfs/dbraw/zinc/80/92/22/916809222.db2.gz XJOJGTYSEPABRI-GFCCVEGCSA-N -1 3 416.318 4.212 20 30 HIEDHM COc1cc(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cc(OC)c1[O-] ZINC000513964021 922280984 /nfs/dbraw/zinc/28/09/84/922280984.db2.gz AOQCWGREFIJORJ-UHFFFAOYSA-N -1 3 420.440 4.263 20 30 HIEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(Br)c1Cl ZINC000514801720 922805492 /nfs/dbraw/zinc/80/54/92/922805492.db2.gz MQLFGTLRLKODHR-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000519993062 928220932 /nfs/dbraw/zinc/22/09/32/928220932.db2.gz LWUJRBJFDQFKLY-UHFFFAOYSA-N -1 3 424.478 4.177 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2cn(-c3ccc(Br)cc3)cn2)nc2ccccc21 ZINC000533773535 932026481 /nfs/dbraw/zinc/02/64/81/932026481.db2.gz NGLXNBHUKBVYCG-HNNXBMFYSA-N -1 3 420.270 4.012 20 30 HIEDHM CSc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c(Cl)c1 ZINC000545101956 940542522 /nfs/dbraw/zinc/54/25/22/940542522.db2.gz SPHGSFYTBYTIQF-UHFFFAOYSA-N -1 3 400.891 4.486 20 30 HIEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)c1 ZINC000554687613 942199980 /nfs/dbraw/zinc/19/99/80/942199980.db2.gz OSKDGCRJQSSMHU-UHFFFAOYSA-N -1 3 422.691 4.323 20 30 HIEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558532140 943590107 /nfs/dbraw/zinc/59/01/07/943590107.db2.gz ITJCOOSGYLGTNC-AWEZNQCLSA-N -1 3 424.800 4.329 20 30 HIEDHM Cc1cc(C(F)(F)F)nn1CC(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000568810351 946709290 /nfs/dbraw/zinc/70/92/90/946709290.db2.gz OFAVBLCXNAXYKK-CYBMUJFWSA-N -1 3 417.712 4.423 20 30 HIEDHM CC(C)(C#N)CCS(=O)(=O)[N-]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000572324842 947884884 /nfs/dbraw/zinc/88/48/84/947884884.db2.gz JUYRZBGNWVGVOD-UHFFFAOYSA-N -1 3 408.568 4.136 20 30 HIEDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000573479148 948213502 /nfs/dbraw/zinc/21/35/02/948213502.db2.gz HNYKKXXNVMICLL-OAHLLOKOSA-N -1 3 410.245 4.114 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000574184404 948380573 /nfs/dbraw/zinc/38/05/73/948380573.db2.gz UFJWAKVEGWPPRL-LJQANCHMSA-N -1 3 416.403 4.109 20 30 HIEDHM N#CCCN(C(=O)CSc1nnc([N-]c2ccccc2F)s1)c1ccccc1 ZINC000006529773 845206316 /nfs/dbraw/zinc/20/63/16/845206316.db2.gz SYQMKHCYSCAGRG-UHFFFAOYSA-N -1 3 413.503 4.460 20 30 HIEDHM O=C(c1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1)N1CCCCC1 ZINC000016937092 846221644 /nfs/dbraw/zinc/22/16/44/846221644.db2.gz GHRWUJRTNLSKRH-HYARGMPZSA-N -1 3 401.304 4.400 20 30 HIEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000017187990 846236429 /nfs/dbraw/zinc/23/64/29/846236429.db2.gz BKDNWICXLSFKPS-GFCCVEGCSA-N -1 3 422.466 4.083 20 30 HIEDHM Cc1nc(C)c(C#N)c(S[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000029675136 847599648 /nfs/dbraw/zinc/59/96/48/847599648.db2.gz PLZRELCCLADDFZ-SNVBAGLBSA-N -1 3 409.496 4.376 20 30 HIEDHM CC(C)(C)CN(CCC#N)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436536115 861840290 /nfs/dbraw/zinc/84/02/90/861840290.db2.gz OPLYWIDTFXOHEA-NRFANRHFSA-N -1 3 407.514 4.042 20 30 HIEDHM N#Cc1ccc(CN2CCN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CC2)cc1 ZINC000436751137 861935945 /nfs/dbraw/zinc/93/59/45/861935945.db2.gz JDHWNTFJOKJVNS-UHFFFAOYSA-N -1 3 413.477 4.014 20 30 HIEDHM COC(=O)c1cc([N-]C(=O)c2ccc(COc3ccccc3C#N)o2)c(F)cc1F ZINC000055116696 849973407 /nfs/dbraw/zinc/97/34/07/849973407.db2.gz SHTYSBRQNWFZAI-UHFFFAOYSA-N -1 3 412.348 4.047 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c(Cl)c1 ZINC000169252431 853655425 /nfs/dbraw/zinc/65/54/25/853655425.db2.gz ZAQDXEGCAVNIGI-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM CCOc1cc(/C=C2/COc3c(F)cc(F)cc3C2=O)cc(Br)c1[O-] ZINC000195651293 853738690 /nfs/dbraw/zinc/73/86/90/853738690.db2.gz MCNFUKRKRWUEAZ-KMKOMSMNSA-N -1 3 411.198 4.490 20 30 HIEDHM CCOc1cc(/C=C\C(=O)c2ccc(OCCOC)cc2)cc(Br)c1[O-] ZINC000206985207 853800418 /nfs/dbraw/zinc/80/04/18/853800418.db2.gz SNMFUIGWDCFRBD-WTKPLQERSA-N -1 3 421.287 4.475 20 30 HIEDHM COc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc(Br)c1[O-] ZINC000214668429 853830704 /nfs/dbraw/zinc/83/07/04/853830704.db2.gz JOFIPMISTKARHU-WTKPLQERSA-N -1 3 416.271 4.186 20 30 HIEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000303860573 855255965 /nfs/dbraw/zinc/25/59/65/855255965.db2.gz PLUMRKAFNZTEAS-SFTDATJTSA-N -1 3 413.562 4.185 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(COc4ccc(C#N)cc4)c3)nc1-2 ZINC000429575075 857762025 /nfs/dbraw/zinc/76/20/25/857762025.db2.gz ITXWJHNBGUDKTI-HXUWFJFHSA-N -1 3 407.433 4.207 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C(=O)N(C)c4ccccc4)c3)nc1-2 ZINC000429578553 857764957 /nfs/dbraw/zinc/76/49/57/857764957.db2.gz NQYZPFGOTCWPIO-IBGZPJMESA-N -1 3 409.449 4.033 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(COc4cccc(F)c4)c3)nc1-2 ZINC000429585293 857769837 /nfs/dbraw/zinc/76/98/37/857769837.db2.gz IYOJSZHMYPCNHX-LJQANCHMSA-N -1 3 400.413 4.475 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(OCc4ccccc4C#N)c3)nc1-2 ZINC000429593779 857775206 /nfs/dbraw/zinc/77/52/06/857775206.db2.gz PKTUIXJHCOMIAJ-FQEVSTJZSA-N -1 3 407.433 4.207 20 30 HIEDHM CCCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1ccc(C)cc1 ZINC000432549569 859221290 /nfs/dbraw/zinc/22/12/90/859221290.db2.gz LTHMOUUZBJIWPJ-UHFFFAOYSA-N -1 3 417.513 4.294 20 30 HIEDHM COCCCn1c(=O)[n-]nc1SCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000434642857 860443299 /nfs/dbraw/zinc/44/32/99/860443299.db2.gz NBBNCXJTAQXOQV-UHFFFAOYSA-N -1 3 408.527 4.012 20 30 HIEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(F)c1 ZINC000435153319 860667635 /nfs/dbraw/zinc/66/76/35/860667635.db2.gz IBYOWGHVZYEJJY-UHFFFAOYSA-N -1 3 402.369 4.304 20 30 HIEDHM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000435403344 860786960 /nfs/dbraw/zinc/78/69/60/860786960.db2.gz URFGTRLKWORWMW-FCHUYYIVSA-N -1 3 407.514 4.023 20 30 HIEDHM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)co2)cc1 ZINC000443320834 867903059 /nfs/dbraw/zinc/90/30/59/867903059.db2.gz NONSESZONVIUJD-UHFFFAOYSA-N -1 3 421.400 4.019 20 30 HIEDHM N#Cc1ccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2Cl)cc1 ZINC000445982466 869946584 /nfs/dbraw/zinc/94/65/84/869946584.db2.gz NGQBEVBJFOAUKT-AWEZNQCLSA-N -1 3 409.751 4.381 20 30 HIEDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)cc1 ZINC000460828944 873714571 /nfs/dbraw/zinc/71/45/71/873714571.db2.gz JWGRVOFPDWCHLV-UHFFFAOYSA-N -1 3 421.478 4.134 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1c(F)cccc1Cl ZINC000464153246 877322017 /nfs/dbraw/zinc/32/20/17/877322017.db2.gz PIAPPHQKSRRHPF-UHFFFAOYSA-N -1 3 403.885 4.095 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC000503534151 912591408 /nfs/dbraw/zinc/59/14/08/912591408.db2.gz NJYABQXYRMRDMJ-UHFFFAOYSA-N -1 3 415.497 4.300 20 30 HIEDHM CC(C)(C)c1nnc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cn21 ZINC000469685386 883869738 /nfs/dbraw/zinc/86/97/38/883869738.db2.gz OJFOPQQOXYNTQU-CYBMUJFWSA-N -1 3 408.412 4.262 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000474745837 889602186 /nfs/dbraw/zinc/60/21/86/889602186.db2.gz PRGCSLLOPRRNKO-MRXNPFEDSA-N -1 3 400.482 4.148 20 30 HIEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2ccccc2Cl)c2cc(F)ccc2F)CCC1 ZINC000477567318 892624231 /nfs/dbraw/zinc/62/42/31/892624231.db2.gz CHEACAMQDCMOEA-SFHVURJKSA-N -1 3 410.873 4.321 20 30 HIEDHM COCCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000477839949 892899105 /nfs/dbraw/zinc/89/91/05/892899105.db2.gz BEHXDKVLCRQFHG-IBGZPJMESA-N -1 3 408.479 4.334 20 30 HIEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000479120171 894389088 /nfs/dbraw/zinc/38/90/88/894389088.db2.gz URQMHEAZFSVGFS-OAHLLOKOSA-N -1 3 422.350 4.353 20 30 HIEDHM N#Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1C(F)(F)F ZINC000483210769 898860929 /nfs/dbraw/zinc/86/09/29/898860929.db2.gz DYFQARCMXQPJGQ-UHFFFAOYSA-N -1 3 414.181 4.367 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccc(F)cc2F)CCCC1 ZINC000485520393 900803843 /nfs/dbraw/zinc/80/38/43/900803843.db2.gz MDHCJJWXCJLJKW-UHFFFAOYSA-N -1 3 413.468 4.115 20 30 HIEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000486832267 901883014 /nfs/dbraw/zinc/88/30/14/901883014.db2.gz GPNWUWJTRRHELN-ZCFIWIBFSA-N -1 3 422.347 4.359 20 30 HIEDHM CC(C)([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cc(C(F)(F)F)on1 ZINC000490455969 904021040 /nfs/dbraw/zinc/02/10/40/904021040.db2.gz XHKJCARKFJYGIU-UHFFFAOYSA-N -1 3 420.306 4.065 20 30 HIEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000500477418 909880079 /nfs/dbraw/zinc/88/00/79/909880079.db2.gz VLUILGAQCDFZHS-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c(-c2cccs2)nc2ccccn21 ZINC000509805587 918410074 /nfs/dbraw/zinc/41/00/74/918410074.db2.gz GEUDPJKPQKXWPL-UHFFFAOYSA-N -1 3 417.494 4.223 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000513577754 921909605 /nfs/dbraw/zinc/90/96/05/921909605.db2.gz WIXIZFYKAMWCRN-AWEZNQCLSA-N -1 3 405.420 4.447 20 30 HIEDHM Cc1c(C#N)cccc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000513705136 922024253 /nfs/dbraw/zinc/02/42/53/922024253.db2.gz NVKCZVIXHDKIEP-UHFFFAOYSA-N -1 3 412.877 4.108 20 30 HIEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)cc1 ZINC000517519931 924242785 /nfs/dbraw/zinc/24/27/85/924242785.db2.gz QSXFZKBWZOKMDL-UHFFFAOYSA-N -1 3 407.451 4.110 20 30 HIEDHM N#CC(=C([O-])c1csc(I)c1)c1ccc(C(F)(F)F)cn1 ZINC000520791612 928820184 /nfs/dbraw/zinc/82/01/84/928820184.db2.gz ZOYFQYDJLDHOGU-SECBINFHSA-N -1 3 422.169 4.257 20 30 HIEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000521725530 929391211 /nfs/dbraw/zinc/39/12/11/929391211.db2.gz GUPMZEZNFCHSHM-UHFFFAOYSA-N -1 3 419.441 4.286 20 30 HIEDHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)c[n-]c12 ZINC000532274889 931380612 /nfs/dbraw/zinc/38/06/12/931380612.db2.gz YLUZAVVUJRYYRH-UHFFFAOYSA-N -1 3 418.453 4.147 20 30 HIEDHM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000533728982 931995007 /nfs/dbraw/zinc/99/50/07/931995007.db2.gz AICSCYCYRZUSJM-OAHLLOKOSA-N -1 3 400.548 4.316 20 30 HIEDHM Cc1nc(SCC(=O)Nc2cc(Br)ccc2[O-])c(C#N)c(C)c1C ZINC000535413535 933124331 /nfs/dbraw/zinc/12/43/31/933124331.db2.gz WZVLVOBDEGUUTL-UHFFFAOYSA-N -1 3 406.305 4.077 20 30 HIEDHM N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000535590781 933258436 /nfs/dbraw/zinc/25/84/36/933258436.db2.gz RSIFJDDRPKELFZ-UHFFFAOYSA-N -1 3 416.828 4.436 20 30 HIEDHM N#Cc1ccccc1Oc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000535590781 933258441 /nfs/dbraw/zinc/25/84/41/933258441.db2.gz RSIFJDDRPKELFZ-UHFFFAOYSA-N -1 3 416.828 4.436 20 30 HIEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c2cnn(Cc3cccs3)c2n1 ZINC000538547041 938646123 /nfs/dbraw/zinc/64/61/23/938646123.db2.gz VVXZQFJUDXXXFW-MRXNPFEDSA-N -1 3 412.478 4.216 20 30 HIEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000539946370 938980350 /nfs/dbraw/zinc/98/03/50/938980350.db2.gz ULBMGOSXFHZGNB-CQSZACIVSA-N -1 3 408.323 4.267 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CSc2ccc(Cl)cc2)no1 ZINC000544905890 940523690 /nfs/dbraw/zinc/52/36/90/940523690.db2.gz JFFAGFJEILHHDY-UHFFFAOYSA-N -1 3 400.891 4.390 20 30 HIEDHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000552874956 941795468 /nfs/dbraw/zinc/79/54/68/941795468.db2.gz MBXDIZQZCNGNAO-UHFFFAOYSA-N -1 3 411.468 4.171 20 30 HIEDHM C=CCCOCCCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000556328564 942842253 /nfs/dbraw/zinc/84/22/53/942842253.db2.gz COIUHSTUAOZMHE-UHFFFAOYSA-N -1 3 418.295 4.200 20 30 HIEDHM N#CCc1cccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)c1 ZINC000556328726 942842330 /nfs/dbraw/zinc/84/23/30/942842330.db2.gz LLXSEJDKEAKARC-UHFFFAOYSA-N -1 3 407.231 4.017 20 30 HIEDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)cn1 ZINC000558754925 943644556 /nfs/dbraw/zinc/64/45/56/943644556.db2.gz WMMWWMSLBFQPDB-UHFFFAOYSA-N -1 3 412.515 4.276 20 30 HIEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(Br)cc([N+](=O)[O-])c3)on2)c1 ZINC000560799573 944335867 /nfs/dbraw/zinc/33/58/67/944335867.db2.gz GLHBVVWGXHDEKP-UHFFFAOYSA-N -1 3 413.187 4.136 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000574184401 948381073 /nfs/dbraw/zinc/38/10/73/948381073.db2.gz UFJWAKVEGWPPRL-IBGZPJMESA-N -1 3 416.403 4.109 20 30 HIEDHM C=CC[C@H]1N(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCC1(C)C ZINC000436096960 861379462 /nfs/dbraw/zinc/37/94/62/861379462.db2.gz HDHKNGWNCXBRCJ-GOSISDBHSA-N -1 3 409.552 4.055 20 30 HIEDHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000436146894 861444878 /nfs/dbraw/zinc/44/48/78/861444878.db2.gz BJDYQPRHSUMMTF-IRLDBZIGSA-N -1 3 413.481 4.461 20 30 HIEDHM COc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc(Br)c1[O-] ZINC000005231547 845093432 /nfs/dbraw/zinc/09/34/32/845093432.db2.gz JOFIPMISTKARHU-RUDMXATFSA-N -1 3 416.271 4.186 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000041397784 848212880 /nfs/dbraw/zinc/21/28/80/848212880.db2.gz OCXHDRIERSWWRP-UHFFFAOYSA-N -1 3 412.902 4.212 20 30 HIEDHM N#Cc1cccc([C@H]2CN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])CCO2)c1 ZINC000436697776 861896677 /nfs/dbraw/zinc/89/66/77/861896677.db2.gz NOKFEXRKBDDIPC-RUZDIDTESA-N -1 3 412.489 4.263 20 30 HIEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(CCc4ccccc4)ccc3[O-])CCO2)c1 ZINC000436697777 861896907 /nfs/dbraw/zinc/89/69/07/861896907.db2.gz NOKFEXRKBDDIPC-VWLOTQADSA-N -1 3 412.489 4.263 20 30 HIEDHM N#C[C@H]1N(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC[C@@]12CCCCO2 ZINC000436809544 861997357 /nfs/dbraw/zinc/99/73/57/861997357.db2.gz UGTGFYPVEFHNOS-NOZRDPDXSA-N -1 3 404.510 4.245 20 30 HIEDHM CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436933718 862112548 /nfs/dbraw/zinc/11/25/48/862112548.db2.gz QVIKWEONBATMKQ-UHFFFAOYSA-N -1 3 402.450 4.345 20 30 HIEDHM Cc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000058452151 850828451 /nfs/dbraw/zinc/82/84/51/850828451.db2.gz RWHRWDWJNNCOSK-UHFFFAOYSA-N -1 3 412.877 4.108 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3cccc(Br)c3)c2)nc2ccccc21 ZINC000303280476 854849395 /nfs/dbraw/zinc/84/93/95/854849395.db2.gz IMGSDUMYJVPHIO-MRXNPFEDSA-N -1 3 420.270 4.012 20 30 HIEDHM COc1cc(/C=C/C(=O)c2c(Cl)nc3ccccn32)cc(Br)c1[O-] ZINC000303890684 855272722 /nfs/dbraw/zinc/27/27/22/855272722.db2.gz RVSICYFKPDWBSZ-AATRIKPKSA-N -1 3 407.651 4.361 20 30 HIEDHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1 ZINC000409868193 855696709 /nfs/dbraw/zinc/69/67/09/855696709.db2.gz CQROREFPYBUHKD-UHFFFAOYSA-N -1 3 408.479 4.340 20 30 HIEDHM COc1ccc([C@@H](NCc2cccc(OCc3ccccc3C#N)c2)C(=O)[O-])cc1F ZINC000426820356 856496551 /nfs/dbraw/zinc/49/65/51/856496551.db2.gz KWKMSVPCYDJVQA-HSZRJFAPSA-N -1 3 420.440 4.200 20 30 HIEDHM CCCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1ccc(F)cc1 ZINC000429328151 857605035 /nfs/dbraw/zinc/60/50/35/857605035.db2.gz AHIOLWKPEYZVTL-UHFFFAOYSA-N -1 3 421.476 4.124 20 30 HIEDHM N#CCCn1ncc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1-c1ccccc1 ZINC000430616605 858237225 /nfs/dbraw/zinc/23/72/25/858237225.db2.gz GJHGBJUMGSCCPJ-UHFFFAOYSA-N -1 3 423.436 4.247 20 30 HIEDHM N#CCCn1ncc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1-c1ccccc1 ZINC000430616605 858237241 /nfs/dbraw/zinc/23/72/41/858237241.db2.gz GJHGBJUMGSCCPJ-UHFFFAOYSA-N -1 3 423.436 4.247 20 30 HIEDHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)cc1Cl ZINC000431636989 858703670 /nfs/dbraw/zinc/70/36/70/858703670.db2.gz XXXLDAVFPZSAPG-KRWDZBQOSA-N -1 3 423.897 4.151 20 30 HIEDHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)cc1 ZINC000432773322 859352719 /nfs/dbraw/zinc/35/27/19/859352719.db2.gz FBEQYQRZDSCJNJ-UHFFFAOYSA-N -1 3 421.522 4.198 20 30 HIEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000437934887 863310547 /nfs/dbraw/zinc/31/05/47/863310547.db2.gz OZQZBUPSDQTOEX-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM Cc1nc(-c2ccccc2)sc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443077496 867813590 /nfs/dbraw/zinc/81/35/90/867813590.db2.gz YZOUVNQVFNELLK-UHFFFAOYSA-N -1 3 403.916 4.122 20 30 HIEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000443367619 867930394 /nfs/dbraw/zinc/93/03/94/867930394.db2.gz CDQKEQSHGKSFPH-UHFFFAOYSA-N -1 3 423.185 4.279 20 30 HIEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000446764656 870677831 /nfs/dbraw/zinc/67/78/31/870677831.db2.gz KAICZMFMFADRKV-OAHLLOKOSA-N -1 3 406.788 4.182 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnc(Oc2ccc(F)cc2F)c1 ZINC000448447880 872392449 /nfs/dbraw/zinc/39/24/49/872392449.db2.gz PHFYUAFXZWRMAP-UHFFFAOYSA-N -1 3 424.407 4.313 20 30 HIEDHM N#Cc1cccc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])c1 ZINC000469044417 883114707 /nfs/dbraw/zinc/11/47/07/883114707.db2.gz UQICBIOLQHFSBO-UHFFFAOYSA-N -1 3 402.635 4.068 20 30 HIEDHM CCCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1cccc(C)c1 ZINC000470347990 884737924 /nfs/dbraw/zinc/73/79/24/884737924.db2.gz YTUQWYCEEIRFSQ-UHFFFAOYSA-N -1 3 417.513 4.294 20 30 HIEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1C ZINC000474620898 889484272 /nfs/dbraw/zinc/48/42/72/889484272.db2.gz IBPQJFPFPDEWOU-UHFFFAOYSA-N -1 3 420.494 4.224 20 30 HIEDHM C=CCCCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1OC ZINC000480547906 895909067 /nfs/dbraw/zinc/90/90/67/895909067.db2.gz CUIASYXCOAAHDQ-UHFFFAOYSA-N -1 3 418.515 4.190 20 30 HIEDHM CCN(CC)S(=O)(=O)c1ccc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000483227539 898870632 /nfs/dbraw/zinc/87/06/32/898870632.db2.gz KETLZROXMIBVMT-OAQYLSRUSA-N -1 3 421.522 4.064 20 30 HIEDHM N#CC(=C([O-])c1cn(-c2ccc(Br)cc2)cn1)c1cnc2ccccc2n1 ZINC000483231866 898875723 /nfs/dbraw/zinc/87/57/23/898875723.db2.gz RQRLOCZDFSXMHN-HNNXBMFYSA-N -1 3 418.254 4.068 20 30 HIEDHM CCN(CC)S(=O)(=O)c1cc(C([O-])=C(C#N)c2nccc3ccccc32)ccc1C ZINC000483243667 898886923 /nfs/dbraw/zinc/88/69/23/898886923.db2.gz MALZVOCXKFEGFC-HXUWFJFHSA-N -1 3 421.522 4.064 20 30 HIEDHM O=C(NCc1ccc([O-])c(Br)c1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000483342769 898972454 /nfs/dbraw/zinc/97/24/54/898972454.db2.gz XRODCYBXYBDDNM-UHFFFAOYSA-N -1 3 422.282 4.271 20 30 HIEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486426255 901585745 /nfs/dbraw/zinc/58/57/45/901585745.db2.gz UBXVYDDRWUTNDT-UHFFFAOYSA-N -1 3 402.292 4.147 20 30 HIEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nc2sc3c(c2c1=O)CCCC3 ZINC000487713465 902309347 /nfs/dbraw/zinc/30/93/47/902309347.db2.gz GSMFYPCPXFMLPN-GFCCVEGCSA-N -1 3 414.556 4.180 20 30 HIEDHM N#Cc1ccc(Oc2ccc(C(=O)NCc3ccc([O-])c(Br)c3)cc2)nc1 ZINC000488660104 902924262 /nfs/dbraw/zinc/92/42/62/902924262.db2.gz RTVKSMHXHYDJQW-UHFFFAOYSA-N -1 3 424.254 4.144 20 30 HIEDHM CC(C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1cc(C(F)(F)F)on1 ZINC000490450221 904018370 /nfs/dbraw/zinc/01/83/70/904018370.db2.gz ALSUHFAXXSAVGA-UHFFFAOYSA-N -1 3 420.306 4.065 20 30 HIEDHM COc1ccc(CCC2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)cc1 ZINC000512771970 921309507 /nfs/dbraw/zinc/30/95/07/921309507.db2.gz SDUGIVDLIQBFBW-UHFFFAOYSA-N -1 3 421.541 4.088 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccc(F)cc2F)CCCCC1 ZINC000498782074 908198597 /nfs/dbraw/zinc/19/85/97/908198597.db2.gz TWUFTFMSVVOFON-UHFFFAOYSA-N -1 3 413.468 4.462 20 30 HIEDHM O=C(N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cc(F)cc2n[n-]nc21 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20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1C(F)(F)F ZINC000535382866 933106345 /nfs/dbraw/zinc/10/63/45/933106345.db2.gz AHOXWONFEMDPRQ-UHFFFAOYSA-N -1 3 416.331 4.192 20 30 HIEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1)OCC ZINC000535966409 933527767 /nfs/dbraw/zinc/52/77/67/933527767.db2.gz ZBCPDSPEJQUZDW-LJQANCHMSA-N -1 3 420.506 4.245 20 30 HIEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1)c1cccc(C(F)(F)F)c1 ZINC000537794271 938377474 /nfs/dbraw/zinc/37/74/74/938377474.db2.gz ISUOPYKTTJIWBX-AWEZNQCLSA-N -1 3 419.222 4.011 20 30 HIEDHM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000537838096 938386534 /nfs/dbraw/zinc/38/65/34/938386534.db2.gz ANFXSDPDNWUBFY-UHFFFAOYSA-N -1 3 421.478 4.180 20 30 HIEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccccc1OC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000538849550 938724743 /nfs/dbraw/zinc/72/47/43/938724743.db2.gz IJRSWBILSMTBPN-GFCCVEGCSA-N -1 3 424.322 4.147 20 30 HIEDHM Cc1nn(-c2ccccc2)c2nc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)ccc12 ZINC000542117102 939719880 /nfs/dbraw/zinc/71/98/80/939719880.db2.gz DCDQFCGXTIAXOZ-SFHVURJKSA-N -1 3 406.449 4.404 20 30 HIEDHM CCCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1cccc(F)c1 ZINC000544297423 940382689 /nfs/dbraw/zinc/38/26/89/940382689.db2.gz HQCTULVTXJCCJZ-UHFFFAOYSA-N -1 3 421.476 4.124 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000564010610 945348631 /nfs/dbraw/zinc/34/86/31/945348631.db2.gz VBMKVWNZBLWLHC-UHFFFAOYSA-N -1 3 409.820 4.144 20 30 HIEDHM Cc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccc1N1CC[C@@H](C)C1 ZINC000546472446 940829706 /nfs/dbraw/zinc/82/97/06/940829706.db2.gz LTIFNRGEAJDOAV-CQSZACIVSA-N -1 3 417.513 4.266 20 30 HIEDHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)cn1 ZINC000549198487 941170556 /nfs/dbraw/zinc/17/05/56/941170556.db2.gz MFFMYMCGPXAEOI-UHFFFAOYSA-N -1 3 406.467 4.284 20 30 HIEDHM N#Cc1cc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cnc1C(F)(F)F ZINC000550834319 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405.285 4.129 20 30 HIEDHM CSc1nnc(CCC/N=C/c2cc(Br)ccc2[O-])n1CC(C)C ZINC000005402780 845110465 /nfs/dbraw/zinc/11/04/65/845110465.db2.gz ZUUWWDNLCZDBNA-VXLYETTFSA-N -1 3 411.369 4.176 20 30 HIEDHM CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc(Br)c1[O-] ZINC000006613648 845214684 /nfs/dbraw/zinc/21/46/84/845214684.db2.gz LGAADQGFYNFYSO-HWKANZROSA-N -1 3 405.244 4.221 20 30 HIEDHM Cc1cc(C)c(-c2csc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1C ZINC000007286652 845302204 /nfs/dbraw/zinc/30/22/04/845302204.db2.gz WPLASEHRPOWWTA-UHFFFAOYSA-N -1 3 420.538 4.483 20 30 HIEDHM O=C(Nc1ccccc1)N1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000011123544 845757565 /nfs/dbraw/zinc/75/75/65/845757565.db2.gz ZLAXHRHOHKNEKC-FYJGNVAPSA-N -1 3 402.292 4.270 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1cccc(C#N)c1 ZINC000015738998 846087854 /nfs/dbraw/zinc/08/78/54/846087854.db2.gz RUIUGNZDGMEVPN-UHFFFAOYSA-N -1 3 409.442 4.059 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3[N+](=O)[O-])cc2)cc1 ZINC000018056753 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ZAIXSWLSHPTQCB-UHFFFAOYSA-N -1 3 417.431 4.006 20 30 HIEDHM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436757012 861944552 /nfs/dbraw/zinc/94/45/52/861944552.db2.gz UTTBVZPHKZVXSP-XMMPIXPASA-N -1 3 411.505 4.006 20 30 HIEDHM CCn1ncc2c1nc(-c1ccccc1)cc2C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000047359198 849031598 /nfs/dbraw/zinc/03/15/98/849031598.db2.gz IPPBPLYLCCKTIX-KRWDZBQOSA-N -1 3 406.449 4.485 20 30 HIEDHM C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000436916044 862096657 /nfs/dbraw/zinc/09/66/57/862096657.db2.gz UFOBEUNZWHGMMN-HXOBKFHXSA-N -1 3 413.477 4.002 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000064423351 851894847 /nfs/dbraw/zinc/89/48/47/851894847.db2.gz GSHAPBVGHGKRSP-UHFFFAOYSA-N -1 3 419.456 4.153 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Cl)c1SC(F)F ZINC000110210486 853074180 /nfs/dbraw/zinc/07/41/80/853074180.db2.gz RONTZGGSEXCSSL-UHFFFAOYSA-N -1 3 411.861 4.403 20 30 HIEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000140367780 853442246 /nfs/dbraw/zinc/44/22/46/853442246.db2.gz HOUORHPQYPVSSJ-LBPRGKRZSA-N -1 3 417.227 4.279 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000437304076 862563208 /nfs/dbraw/zinc/56/32/08/862563208.db2.gz ICNXXXNNSMKRQG-KBXCAEBGSA-N -1 3 404.297 4.187 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000410298173 855913546 /nfs/dbraw/zinc/91/35/46/855913546.db2.gz DVIAFZKCVAFDJH-HNNXBMFYSA-N -1 3 406.511 4.209 20 30 HIEDHM CCSc1cccc(Br)c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427352970 856788830 /nfs/dbraw/zinc/78/88/30/856788830.db2.gz URYYJFHYTQMNOX-UHFFFAOYSA-N -1 3 415.309 4.373 20 30 HIEDHM COc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1OCCCC#N ZINC000432702738 859305493 /nfs/dbraw/zinc/30/54/93/859305493.db2.gz JDOQMORVNYLXCL-SILNSSARSA-N -1 3 401.466 4.244 20 30 HIEDHM N#Cc1ccc(Oc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2Cl)cc1 ZINC000445982467 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4.066 20 30 HIEDHM N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473938302 888815338 /nfs/dbraw/zinc/81/53/38/888815338.db2.gz FBDUQJXATBKDKG-UHFFFAOYSA-N -1 3 412.478 4.066 20 30 HIEDHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000479488591 894809258 /nfs/dbraw/zinc/80/92/58/894809258.db2.gz JJTLQBDRUZMSOI-UHFFFAOYSA-N -1 3 415.298 4.081 20 30 HIEDHM Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000481450579 896847032 /nfs/dbraw/zinc/84/70/32/896847032.db2.gz GFCKFSRPLGNWPA-UHFFFAOYSA-N -1 3 401.285 4.480 20 30 HIEDHM N#CC(=C([O-])c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000483190207 898848987 /nfs/dbraw/zinc/84/89/87/898848987.db2.gz CSTHCZKTUKEANJ-INIZCTEOSA-N -1 3 424.382 4.265 20 30 HIEDHM Cc1nc(COc2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2)cs1 ZINC000483194603 898851436 /nfs/dbraw/zinc/85/14/36/898851436.db2.gz ILPOPMXSYQNJRD-GOSISDBHSA-N -1 3 400.463 4.464 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(F)(F)F)c(C(F)(F)F)c1 ZINC000484787692 900195003 /nfs/dbraw/zinc/19/50/03/900195003.db2.gz QHBYMFHHBNBRBW-NWDGAFQWSA-N -1 3 414.371 4.224 20 30 HIEDHM COC(=O)c1c(F)ccc([N-]C(=O)c2occc2COc2cccc(C#N)c2)c1F ZINC000485153581 900453364 /nfs/dbraw/zinc/45/33/64/900453364.db2.gz VDLMMWIXZBKKLL-UHFFFAOYSA-N -1 3 412.348 4.047 20 30 HIEDHM COCc1ccsc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000487717243 902314035 /nfs/dbraw/zinc/31/40/35/902314035.db2.gz SKPHQPREEBLSCV-UHFFFAOYSA-N -1 3 402.526 4.162 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H](c1ccccc1)C(F)(F)F ZINC000491005531 904365743 /nfs/dbraw/zinc/36/57/43/904365743.db2.gz LBIRSIDKPMKYED-GOSISDBHSA-N -1 3 405.420 4.061 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(cccc2C(F)(F)F)s1 ZINC000499172611 908523930 /nfs/dbraw/zinc/52/39/30/908523930.db2.gz FXYIDRSOWJEODL-UHFFFAOYSA-N -1 3 420.416 4.476 20 30 HIEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)cc1 ZINC000511149031 919767788 /nfs/dbraw/zinc/76/77/88/919767788.db2.gz BMOVOBRWCNDIEM-UHFFFAOYSA-N -1 3 417.531 4.220 20 30 HIEDHM CCN(Cc1ccccc1Br)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000513575864 921907939 /nfs/dbraw/zinc/90/79/39/921907939.db2.gz BOYUXTDAAZPHSF-UHFFFAOYSA-N -1 3 416.319 4.020 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000518667605 927419092 /nfs/dbraw/zinc/41/90/92/927419092.db2.gz GDSIABFZLOXELD-QFIPXVFZSA-N -1 3 402.498 4.443 20 30 HIEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc4ccccc43)no2)ccc1F ZINC000521043368 928955261 /nfs/dbraw/zinc/95/52/61/928955261.db2.gz AMLPHMXCZJIYCG-UHFFFAOYSA-N -1 3 409.442 4.160 20 30 HIEDHM N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Br)ccc3[O-])o2)cc1 ZINC000531492601 931077523 /nfs/dbraw/zinc/07/75/23/931077523.db2.gz BXSZNCIBBJNBQA-UHFFFAOYSA-N -1 3 413.227 4.451 20 30 HIEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000536125344 933674743 /nfs/dbraw/zinc/67/47/43/933674743.db2.gz IPIYOVMNRINQCD-CQSZACIVSA-N -1 3 424.322 4.147 20 30 HIEDHM C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000538333888 938595800 /nfs/dbraw/zinc/59/58/00/938595800.db2.gz MLIADIVFNIBVMD-MRXNPFEDSA-N -1 3 404.507 4.410 20 30 HIEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c2cnn(Cc3cccs3)c2n1 ZINC000538547039 938645945 /nfs/dbraw/zinc/64/59/45/938645945.db2.gz VVXZQFJUDXXXFW-INIZCTEOSA-N -1 3 412.478 4.216 20 30 HIEDHM Cc1nn(-c2ccccc2)c2nc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)ccc12 ZINC000542117098 939719739 /nfs/dbraw/zinc/71/97/39/939719739.db2.gz DCDQFCGXTIAXOZ-GOSISDBHSA-N -1 3 406.449 4.404 20 30 HIEDHM N#CC(=C([O-])c1cc(F)c(Br)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000552070954 941578785 /nfs/dbraw/zinc/57/87/85/941578785.db2.gz KFXOQNIYZWTHNU-JTQLQIEISA-N -1 3 411.662 4.050 20 30 HIEDHM C=CCN(CC=C)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[n-]1 ZINC000552218399 941606762 /nfs/dbraw/zinc/60/67/62/941606762.db2.gz NWHAPXRSBZOUOU-UHFFFAOYSA-N -1 3 422.554 4.336 20 30 HIEDHM N#Cc1ccc(Cl)c(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000560593556 944267509 /nfs/dbraw/zinc/26/75/09/944267509.db2.gz MUZIITVBRZQGPK-UHFFFAOYSA-N -1 3 418.280 4.062 20 30 HIEDHM N#CC(=C([O-])c1ccc(CN2CCSCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000561972321 944881792 /nfs/dbraw/zinc/88/17/92/944881792.db2.gz CMPRYOGLZRBQOL-LJQANCHMSA-N -1 3 420.563 4.244 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2Cl)c(Cl)c1 ZINC000569595613 946894319 /nfs/dbraw/zinc/89/43/19/946894319.db2.gz QSHWLKFSPYXPMT-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000573479141 948213629 /nfs/dbraw/zinc/21/36/29/948213629.db2.gz HNYKKXXNVMICLL-HNNXBMFYSA-N -1 3 410.245 4.114 20 30 HIEDHM CN(C(=O)CSc1nnc([N-]c2ccccc2F)s1)C1(C#N)CCCCC1 ZINC000010316582 845645335 /nfs/dbraw/zinc/64/53/35/845645335.db2.gz YRAIOCXCAOIROW-UHFFFAOYSA-N -1 3 405.524 4.198 20 30 HIEDHM Cc1ccc(-c2csc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c(C)c1 ZINC000011357952 845783638 /nfs/dbraw/zinc/78/36/38/845783638.db2.gz KAQNIIPPKDZNIO-UHFFFAOYSA-N -1 3 406.511 4.175 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000017305219 846243327 /nfs/dbraw/zinc/24/33/27/846243327.db2.gz VQZLZAYEUJHLKS-UHFFFAOYSA-N -1 3 401.466 4.014 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F ZINC000030338852 847704571 /nfs/dbraw/zinc/70/45/71/847704571.db2.gz ZZYCECGDYIYASM-RKDXNWHRSA-N -1 3 423.350 4.022 20 30 HIEDHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000032142913 847987920 /nfs/dbraw/zinc/98/79/20/847987920.db2.gz YBWFVHPKDDHDPI-UHFFFAOYSA-N -1 3 414.490 4.265 20 30 HIEDHM N#Cc1ccccc1N1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000436581339 861858973 /nfs/dbraw/zinc/85/89/73/861858973.db2.gz ZSMBALHGJKRWJJ-UHFFFAOYSA-N -1 3 411.505 4.207 20 30 HIEDHM N#C[C@@H]1N(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC[C@@]12CCCCO2 ZINC000436809549 861997008 /nfs/dbraw/zinc/99/70/08/861997008.db2.gz UGTGFYPVEFHNOS-ZCYQVOJMSA-N -1 3 404.510 4.245 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 ZINC000055761556 850140142 /nfs/dbraw/zinc/14/01/42/850140142.db2.gz HZGMFOMWHZRKQT-UHFFFAOYSA-N -1 3 411.933 4.078 20 30 HIEDHM C=CCN(Cc1ccccc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436924647 862104905 /nfs/dbraw/zinc/10/49/05/862104905.db2.gz XSUHQIJLICSZDI-DEOSSOPVSA-N -1 3 414.505 4.468 20 30 HIEDHM CCOc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)c([N+](=O)[O-])cc1OC ZINC000061198135 851316473 /nfs/dbraw/zinc/31/64/73/851316473.db2.gz XQUWOHISMPZGEN-UHFFFAOYSA-N -1 3 415.471 4.456 20 30 HIEDHM C=CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc(OC)c1OC ZINC000065269525 852096688 /nfs/dbraw/zinc/09/66/88/852096688.db2.gz KOOJMIUVQUDVPQ-UHFFFAOYSA-N -1 3 422.355 4.279 20 30 HIEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000109234754 852939690 /nfs/dbraw/zinc/93/96/90/852939690.db2.gz MSQSCCVQPTZWHB-QGZVFWFLSA-N -1 3 402.516 4.024 20 30 HIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138723299 853395731 /nfs/dbraw/zinc/39/57/31/853395731.db2.gz FKVXXOJULRUIRW-CYBMUJFWSA-N 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ZINC000432766607 859346647 /nfs/dbraw/zinc/34/66/47/859346647.db2.gz HVACAZNAOJDNQC-UHFFFAOYSA-N -1 3 412.284 4.081 20 30 HIEDHM C=CC[C@H](CC)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1C ZINC000467687738 881480215 /nfs/dbraw/zinc/48/02/15/881480215.db2.gz ISTPBRSYBXYBLC-KRWDZBQOSA-N -1 3 416.543 4.279 20 30 HIEDHM C[C@H](SCC(=O)NC1(C#N)CCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000438873910 864365355 /nfs/dbraw/zinc/36/53/55/864365355.db2.gz LDQPMGNCHRSWJS-NSHDSACASA-N -1 3 414.512 4.014 20 30 HIEDHM Cc1ccc(NC(=O)c2cc(C#N)cs2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000438900647 864382620 /nfs/dbraw/zinc/38/26/20/864382620.db2.gz HGJHHHHEKISCKC-UHFFFAOYSA-N -1 3 415.471 4.120 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000468140901 881996210 /nfs/dbraw/zinc/99/62/10/881996210.db2.gz WJPIIPFRSIITPY-UHFFFAOYSA-N -1 3 414.303 4.098 20 30 HIEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](CCC#N)c1ccccc1 ZINC000443387769 867947182 /nfs/dbraw/zinc/94/71/82/867947182.db2.gz NURFAHSWHUWHGF-INIZCTEOSA-N -1 3 414.508 4.011 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000468280345 882203496 /nfs/dbraw/zinc/20/34/96/882203496.db2.gz JBWWMMZLPVHOTK-LBPRGKRZSA-N -1 3 405.420 4.147 20 30 HIEDHM Cc1cc(Br)ccc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000445456638 869534976 /nfs/dbraw/zinc/53/49/76/869534976.db2.gz PEAOCKHBLSJMFD-UHFFFAOYSA-N -1 3 413.275 4.182 20 30 HIEDHM C[C@@H]1CN(Cc2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2)C[C@@H](C)O1 ZINC000464397439 877599154 /nfs/dbraw/zinc/59/91/54/877599154.db2.gz IKDYDFIPANKJOL-SPYBWZPUSA-N -1 3 417.431 4.200 20 30 HIEDHM N#CC(=C([O-])c1cc2c(c(Br)c1)OCO2)c1cc(C(F)(F)F)ccn1 ZINC000464418063 877624441 /nfs/dbraw/zinc/62/44/41/877624441.db2.gz QNFIWNFSSXWAPN-JTQLQIEISA-N -1 3 413.149 4.082 20 30 HIEDHM Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000464855784 878134289 /nfs/dbraw/zinc/13/42/89/878134289.db2.gz JLDMQPDBTCFMSX-UHFFFAOYSA-N -1 3 421.478 4.283 20 30 HIEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(-c2ccccc2)cs1 ZINC000503493846 912540397 /nfs/dbraw/zinc/54/03/97/912540397.db2.gz VGGYPTXDVJLXFR-GFCCVEGCSA-N -1 3 403.916 4.375 20 30 HIEDHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000504045761 912952441 /nfs/dbraw/zinc/95/24/41/912952441.db2.gz XCAQPYPQZDNKJK-UHFFFAOYSA-N -1 3 412.298 4.404 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000475221483 890091052 /nfs/dbraw/zinc/09/10/52/890091052.db2.gz WDZUTDDQXISOTN-IBGZPJMESA-N -1 3 404.470 4.103 20 30 HIEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000476515288 891428891 /nfs/dbraw/zinc/42/88/91/891428891.db2.gz XNKMWDAPMVQYBX-AWEZNQCLSA-N -1 3 406.788 4.323 20 30 HIEDHM C[C@@H](Sc1nnc(CC#N)n1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000477041562 891966778 /nfs/dbraw/zinc/96/67/78/891966778.db2.gz FUHHNTUZNVITAA-SECBINFHSA-N -1 3 414.541 4.173 20 30 HIEDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(COc3ccccc3C#N)o2)c1F ZINC000478068571 893229718 /nfs/dbraw/zinc/22/97/18/893229718.db2.gz SHIUGMPOJIOISV-UHFFFAOYSA-N -1 3 412.348 4.047 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000484705266 900140055 /nfs/dbraw/zinc/14/00/55/900140055.db2.gz KGMVASXNRZIYHK-UHFFFAOYSA-N -1 3 413.890 4.019 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c(C(F)(F)F)c1 ZINC000484787693 900194702 /nfs/dbraw/zinc/19/47/02/900194702.db2.gz QHBYMFHHBNBRBW-RYUDHWBXSA-N -1 3 414.371 4.224 20 30 HIEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000485446370 900742031 /nfs/dbraw/zinc/74/20/31/900742031.db2.gz OGJQIQFHOOQZAV-OAHLLOKOSA-N -1 3 422.350 4.408 20 30 HIEDHM N#Cc1cccc(COc2cccc(C=Cc3cc(=O)[n-]c(-c4ccncc4)n3)c2)c1 ZINC000485983088 901201818 /nfs/dbraw/zinc/20/18/18/901201818.db2.gz LUMCUFBCAAOROJ-FPLPWBNLSA-N -1 3 406.445 4.453 20 30 HIEDHM Cc1cc(F)ccc1N(Cc1ccco1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000501147345 910322439 /nfs/dbraw/zinc/32/24/39/910322439.db2.gz 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Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000427069239 856619021 /nfs/dbraw/zinc/61/90/21/856619021.db2.gz IQYSUUOWGVGAPI-UHFFFAOYSA-N -1 3 410.437 4.015 20 30 HIEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000432887423 859408909 /nfs/dbraw/zinc/40/89/09/859408909.db2.gz HIZQWXALGGBUMK-UHFFFAOYSA-N -1 3 400.463 4.392 20 30 HIEDHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000437945728 863320287 /nfs/dbraw/zinc/32/02/87/863320287.db2.gz GEDFCPCBQRRMMF-UHFFFAOYSA-N -1 3 415.696 4.092 20 30 HIEDHM COc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc(NC(C)=O)c1OC ZINC000442673280 867608742 /nfs/dbraw/zinc/60/87/42/867608742.db2.gz TTXJJQIEOIVABY-INIZCTEOSA-N -1 3 421.478 4.276 20 30 HIEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1C(F)(F)F ZINC000443409434 867992499 /nfs/dbraw/zinc/99/24/99/867992499.db2.gz WOIGRSCVWIXUSD-UHFFFAOYSA-N -1 3 423.185 4.279 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000468375080 882318079 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400.544 4.369 20 30 HIEDHM N#Cc1ccccc1Oc1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000482238243 897720310 /nfs/dbraw/zinc/72/03/10/897720310.db2.gz FNXLMEDYVMGUCT-UHFFFAOYSA-N -1 3 421.766 4.071 20 30 HIEDHM Cc1ccc(C(=O)NCCCCC#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000505531314 914224915 /nfs/dbraw/zinc/22/49/15/914224915.db2.gz ANXKBKDZFHELMP-UHFFFAOYSA-N -1 3 423.897 4.012 20 30 HIEDHM CCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1ccccc1Cl ZINC000482743855 898347964 /nfs/dbraw/zinc/34/79/64/898347964.db2.gz IWYCWESFKNRRIX-UHFFFAOYSA-N -1 3 423.904 4.249 20 30 HIEDHM Cc1ccc(F)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Br ZINC000484671009 900113477 /nfs/dbraw/zinc/11/34/77/900113477.db2.gz KQICTWLUEGCTLV-UHFFFAOYSA-N -1 3 406.255 4.057 20 30 HIEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c(F)c1 ZINC000493231186 905055643 /nfs/dbraw/zinc/05/56/43/905055643.db2.gz AXZKKXGGUCAXEX-UHFFFAOYSA-N -1 3 406.385 4.295 20 30 HIEDHM Cc1ccc(-c2nc(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)n[n-]2)o1 ZINC000501236251 910392376 /nfs/dbraw/zinc/39/23/76/910392376.db2.gz RPFRPIOBVDCIGE-UHFFFAOYSA-N -1 3 424.892 4.143 20 30 HIEDHM Cc1ccc(Br)cc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000508680152 917443983 /nfs/dbraw/zinc/44/39/83/917443983.db2.gz ORNUBXMTXVTSST-UHFFFAOYSA-N -1 3 413.275 4.182 20 30 HIEDHM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000509615340 918265285 /nfs/dbraw/zinc/26/52/85/918265285.db2.gz UNPXOIWWUXSLQE-UHFFFAOYSA-N -1 3 422.462 4.095 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000515213925 922995729 /nfs/dbraw/zinc/99/57/29/922995729.db2.gz RIBLZALCNCPQMM-UHFFFAOYSA-N -1 3 401.466 4.317 20 30 HIEDHM CCc1cc(=O)[n-]c(-c2ccc(NC3CCC(Oc4ccccc4C#N)CC3)nc2)n1 ZINC000517665054 926770830 /nfs/dbraw/zinc/77/08/30/926770830.db2.gz OGCPAXBULYAZRJ-UHFFFAOYSA-N -1 3 415.497 4.480 20 30 HIEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)cc1 ZINC000521800377 929460669 /nfs/dbraw/zinc/46/06/69/929460669.db2.gz HKVQCJAHTODOLP-UHFFFAOYSA-N -1 3 424.478 4.177 20 30 HIEDHM CC(=O)Nc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cs1 ZINC000525118872 930047751 /nfs/dbraw/zinc/04/77/51/930047751.db2.gz DTRWPKNZBSJDES-NSHDSACASA-N -1 3 402.545 4.438 20 30 HIEDHM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000525533245 930307230 /nfs/dbraw/zinc/30/72/30/930307230.db2.gz VEVUHDDDVWZFNE-UHFFFAOYSA-N -1 3 414.509 4.319 20 30 HIEDHM N#CC(=C([O-])c1ccc(=O)n(-c2cccc(F)c2)c1)c1nc2ccccc2n1C(F)F ZINC000531438683 931057718 /nfs/dbraw/zinc/05/77/18/931057718.db2.gz NRDRCGBXMOVWNC-MRXNPFEDSA-N -1 3 422.366 4.211 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2cn(-c3ccc(Br)cc3)cn2)nc2ccccc21 ZINC000533773542 932027413 /nfs/dbraw/zinc/02/74/13/932027413.db2.gz NGLXNBHUKBVYCG-OAHLLOKOSA-N -1 3 420.270 4.012 20 30 HIEDHM N#CC(=C([O-])c1cn(-c2ccc(Br)cc2)cn1)c1nc2ccccc2[nH]1 ZINC000533775238 932027788 /nfs/dbraw/zinc/02/77/88/932027788.db2.gz NLVXXBOALYSCIL-CQSZACIVSA-N -1 3 406.243 4.001 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000535453441 933145488 /nfs/dbraw/zinc/14/54/88/933145488.db2.gz MUDJGINPGFLTQB-NSHDSACASA-N -1 3 406.313 4.263 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000538558416 938648763 /nfs/dbraw/zinc/64/87/63/938648763.db2.gz ANPNKDBYVTVYPY-UHFFFAOYSA-N -1 3 413.437 4.050 20 30 HIEDHM C=CCOc1cccnc1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC000540396307 939233222 /nfs/dbraw/zinc/23/32/22/939233222.db2.gz AZMZTDLTLBVBLA-UHFFFAOYSA-N -1 3 402.476 4.182 20 30 HIEDHM CCOC(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)[n-]n1 ZINC000543762255 940178047 /nfs/dbraw/zinc/17/80/47/940178047.db2.gz KVMXBSJNWRCAKG-UHFFFAOYSA-N -1 3 410.817 4.156 20 30 HIEDHM CCOC(=O)c1cc(NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)n[n-]1 ZINC000543762255 940178052 /nfs/dbraw/zinc/17/80/52/940178052.db2.gz KVMXBSJNWRCAKG-UHFFFAOYSA-N -1 3 410.817 4.156 20 30 HIEDHM N#CC(=C([O-])c1ccc(COc2ccccc2Br)cc1)c1ccncn1 ZINC000545447056 940570407 /nfs/dbraw/zinc/57/04/07/940570407.db2.gz CECPJWHPKIBALC-MRXNPFEDSA-N -1 3 408.255 4.308 20 30 HIEDHM Cc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccc1Br ZINC000546947569 940923301 /nfs/dbraw/zinc/92/33/01/940923301.db2.gz MVOFNEFPNNQTAK-UHFFFAOYSA-N -1 3 413.275 4.182 20 30 HIEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000551117324 941413513 /nfs/dbraw/zinc/41/35/13/941413513.db2.gz YRXVVLFYDJKQIX-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM N#CCc1ccc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cc1 ZINC000556332287 942843505 /nfs/dbraw/zinc/84/35/05/942843505.db2.gz RQNZXPLKRVNWBC-UHFFFAOYSA-N -1 3 407.231 4.017 20 30 HIEDHM COc1cc2nc([N-]C(=O)c3cc(-c4cccc(C#N)c4)no3)sc2cc1OC ZINC000565990677 945966229 /nfs/dbraw/zinc/96/62/29/945966229.db2.gz NQECVNWFCKGGKD-UHFFFAOYSA-N -1 3 406.423 4.092 20 30 HIEDHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1C ZINC000568376289 946527280 /nfs/dbraw/zinc/52/72/80/946527280.db2.gz NBBAFUOBDWFRHX-UHFFFAOYSA-N -1 3 404.797 4.348 20 30 HIEDHM Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000029917369 847651208 /nfs/dbraw/zinc/65/12/08/847651208.db2.gz DFNPKOJWDKDPIP-UHFFFAOYSA-N -1 3 409.442 4.059 20 30 HIEDHM N#CC(=C([O-])c1nc(-c2ccccc2)n2c1CCCCC2)c1nnc2n1CCCCC2 ZINC000041506029 848223191 /nfs/dbraw/zinc/22/31/91/848223191.db2.gz AMKQCJMZUUQEKF-SFHVURJKSA-N -1 3 414.513 4.084 20 30 HIEDHM N#CC(=C([O-])c1ccc(-n2cncn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548835 848229419 /nfs/dbraw/zinc/22/94/19/848229419.db2.gz ZBCRPIXMODCMNE-AWEZNQCLSA-N -1 3 413.384 4.386 20 30 HIEDHM CCCCOc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c([O-])c1 ZINC000436664238 861887739 /nfs/dbraw/zinc/88/77/39/861887739.db2.gz JULRQUNIBNFNIR-UHFFFAOYSA-N -1 3 412.461 4.265 20 30 HIEDHM CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000436673209 861890069 /nfs/dbraw/zinc/89/00/69/861890069.db2.gz PZENCSKJTIMDND-CQSZACIVSA-N -1 3 418.453 4.036 20 30 HIEDHM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(Oc4ccccc4)ccc3[O-])CCO2)c1 ZINC000436700535 861897153 /nfs/dbraw/zinc/89/71/53/861897153.db2.gz VYZOSKGVQMYMBO-QHCPKHFHSA-N -1 3 400.434 4.270 20 30 HIEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCCCCC)cc2)cc1 ZINC000063150465 851624036 /nfs/dbraw/zinc/62/40/36/851624036.db2.gz SPLQLORUJOVUKY-UHFFFAOYSA-N -1 3 417.531 4.364 20 30 HIEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000437125586 862314603 /nfs/dbraw/zinc/31/46/03/862314603.db2.gz RCPIJQMKWNCMMG-QFIPXVFZSA-N -1 3 411.521 4.463 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000115180573 853247016 /nfs/dbraw/zinc/24/70/16/853247016.db2.gz SDKRHNWAKPNCFM-UHFFFAOYSA-N -1 3 409.505 4.297 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000116150350 853286570 /nfs/dbraw/zinc/28/65/70/853286570.db2.gz ZMLPNFHTAJFETF-UHFFFAOYSA-N -1 3 413.521 4.355 20 30 HIEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c1 ZINC000125440491 853371179 /nfs/dbraw/zinc/37/11/79/853371179.db2.gz FTWSHOIABIHCAY-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM CCOc1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc(Br)c1[O-] ZINC000206105262 853797273 /nfs/dbraw/zinc/79/72/73/853797273.db2.gz LGAADQGFYNFYSO-HYXAFXHYSA-N -1 3 405.244 4.221 20 30 HIEDHM N#CC(=C([O-])c1cnn(-c2cccc(Br)c2)c1)c1nc2ccccc2[nH]1 ZINC000303317718 854869228 /nfs/dbraw/zinc/86/92/28/854869228.db2.gz QOSYTELCUFSVTF-HNNXBMFYSA-N -1 3 406.243 4.001 20 30 HIEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000303860570 855255743 /nfs/dbraw/zinc/25/57/43/855255743.db2.gz PLUMRKAFNZTEAS-LEWJYISDSA-N -1 3 413.562 4.185 20 30 HIEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c2ccccc2c1=O ZINC000430588900 858228956 /nfs/dbraw/zinc/22/89/56/858228956.db2.gz BASGATNCQUTXKN-MRXNPFEDSA-N -1 3 408.527 4.297 20 30 HIEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c2ccccc2c1=O ZINC000430588899 858229161 /nfs/dbraw/zinc/22/91/61/858229161.db2.gz BASGATNCQUTXKN-INIZCTEOSA-N -1 3 408.527 4.297 20 30 HIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(Br)c3c(c2)OCCO3)s1 ZINC000430650693 858248507 /nfs/dbraw/zinc/24/85/07/858248507.db2.gz VEYALXCZPQOPIC-LLVKDONJSA-N -1 3 421.316 4.464 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000432306818 859096242 /nfs/dbraw/zinc/09/62/42/859096242.db2.gz JSVRNVNPXMYCPL-AWEZNQCLSA-N -1 3 402.825 4.226 20 30 HIEDHM Cc1c(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Br ZINC000432654726 859276303 /nfs/dbraw/zinc/27/63/03/859276303.db2.gz QLVNGXDJYSEWCC-UHFFFAOYSA-N -1 3 403.660 4.223 20 30 HIEDHM CC(C)(C)Cc1nc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2)no1 ZINC000442688367 867622061 /nfs/dbraw/zinc/62/20/61/867622061.db2.gz DADMBTUHKDCBOV-QGZVFWFLSA-N -1 3 418.501 4.133 20 30 HIEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(F)c1 ZINC000443359489 867925194 /nfs/dbraw/zinc/92/51/94/867925194.db2.gz SXWOKKMJBQHVFE-UHFFFAOYSA-N -1 3 413.268 4.048 20 30 HIEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cc2)n1 ZINC000443995429 868516487 /nfs/dbraw/zinc/51/64/87/868516487.db2.gz QTAUXTVEQWKEGU-UHFFFAOYSA-N -1 3 411.465 4.256 20 30 HIEDHM CCOC(=O)c1c([N-]C(=O)c2c(F)cc(C#N)cc2F)sc2c1CCSC2 ZINC000445739991 869793419 /nfs/dbraw/zinc/79/34/19/869793419.db2.gz LYQKDXYGVYAJBK-UHFFFAOYSA-N -1 3 408.451 4.116 20 30 HIEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1Br ZINC000468777741 882855562 /nfs/dbraw/zinc/85/55/62/882855562.db2.gz BPDGXBNANPVYCS-UHFFFAOYSA-N -1 3 419.222 4.449 20 30 HIEDHM N#CC(=C([O-])c1cccc(NC(=O)c2cccnc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464408749 877613470 /nfs/dbraw/zinc/61/34/70/877613470.db2.gz RYVGPYXPNVTPSR-QGZVFWFLSA-N -1 3 410.355 4.238 20 30 HIEDHM N#CC(=C([O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC000464418638 877627096 /nfs/dbraw/zinc/62/70/96/877627096.db2.gz HHCOISZMEXFOJX-JTQLQIEISA-N -1 3 401.247 4.100 20 30 HIEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000466877734 880645867 /nfs/dbraw/zinc/64/58/67/880645867.db2.gz NXRVIAZIBPBYGL-LLVKDONJSA-N -1 3 409.842 4.117 20 30 HIEDHM CCc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1OC ZINC000469697099 883876458 /nfs/dbraw/zinc/87/64/58/883876458.db2.gz DFACJCQMFNUKGX-AWEZNQCLSA-N -1 3 414.387 4.347 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000470011239 884226219 /nfs/dbraw/zinc/22/62/19/884226219.db2.gz IIJKJPLBHDPPCG-INIZCTEOSA-N -1 3 400.482 4.148 20 30 HIEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000474984204 889837766 /nfs/dbraw/zinc/83/77/66/889837766.db2.gz HRVDUJGALYKUDV-UHFFFAOYSA-N -1 3 410.430 4.268 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475782412 890723718 /nfs/dbraw/zinc/72/37/18/890723718.db2.gz QHQZPJHICNBMKL-UHFFFAOYSA-N -1 3 421.419 4.158 20 30 HIEDHM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000476604111 891538770 /nfs/dbraw/zinc/53/87/70/891538770.db2.gz XNINKHQHHRJWDL-UHFFFAOYSA-N -1 3 408.435 4.189 20 30 HIEDHM C=CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CCC1 ZINC000478218636 893378932 /nfs/dbraw/zinc/37/89/32/893378932.db2.gz QYYHUHRCCCUFPY-UHFFFAOYSA-N -1 3 414.527 4.489 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000480155553 895539888 /nfs/dbraw/zinc/53/98/88/895539888.db2.gz WDBPHUWPVNXNES-CQSZACIVSA-N -1 3 412.559 4.455 20 30 HIEDHM CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1Cl ZINC000481882034 897254203 /nfs/dbraw/zinc/25/42/03/897254203.db2.gz AWTJTCMOYJFDDV-UHFFFAOYSA-N -1 3 417.840 4.093 20 30 HIEDHM CCCCCn1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2ccccc2c1=O ZINC000483196912 898852305 /nfs/dbraw/zinc/85/23/05/898852305.db2.gz KOSWTNITUXEHEX-SFHVURJKSA-N -1 3 411.465 4.020 20 30 HIEDHM CCSc1cccc(F)c1[N-]C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000484922168 900296119 /nfs/dbraw/zinc/29/61/19/900296119.db2.gz ANUAQKIDAHFSRP-UHFFFAOYSA-N -1 3 406.504 4.267 20 30 HIEDHM N#Cc1cccc(OCCCCC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000485135691 900436557 /nfs/dbraw/zinc/43/65/57/900436557.db2.gz YTEJFMLDHBGEMY-UHFFFAOYSA-N -1 3 401.426 4.277 20 30 HIEDHM C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000489709717 903552942 /nfs/dbraw/zinc/55/29/42/903552942.db2.gz CIWPQJPBWITYIA-UHFFFAOYSA-N -1 3 404.507 4.267 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccc(Br)cc3)c2)nc2ccccc21 ZINC000513660079 921983066 /nfs/dbraw/zinc/98/30/66/921983066.db2.gz JPLZJOOKDBBOFB-MRXNPFEDSA-N -1 3 420.270 4.012 20 30 HIEDHM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(Br)cc2[O-])o1 ZINC000515503235 923139047 /nfs/dbraw/zinc/13/90/47/923139047.db2.gz KFBZKECARBGLQT-UHFFFAOYSA-N -1 3 413.227 4.451 20 30 HIEDHM Cc1[nH]c2ccccc2c1C1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000516001992 923493056 /nfs/dbraw/zinc/49/30/56/923493056.db2.gz JNZHYSOUMPKMCH-UHFFFAOYSA-N -1 3 416.525 4.404 20 30 HIEDHM C=C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3F)c2)CC1 ZINC000520821733 928833561 /nfs/dbraw/zinc/83/35/61/928833561.db2.gz VUAMRQDANLKKOU-UHFFFAOYSA-N -1 3 422.909 4.381 20 30 HIEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nc(C(C)(C)C)cs1 ZINC000521664903 929354580 /nfs/dbraw/zinc/35/45/80/929354580.db2.gz CBGQYORNZHZWGC-SNVBAGLBSA-N -1 3 417.478 4.371 20 30 HIEDHM CCOc1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c([N+](=O)[O-])cc1OC ZINC000540272475 939178731 /nfs/dbraw/zinc/17/87/31/939178731.db2.gz LEXZXLWPEXKNJO-UHFFFAOYSA-N -1 3 403.460 4.485 20 30 HIEDHM CC[C@H](CC#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000545861763 940641423 /nfs/dbraw/zinc/64/14/23/940641423.db2.gz BXGRADAWWAXFJQ-OAHLLOKOSA-N -1 3 423.897 4.010 20 30 HIEDHM COC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)[n-]1 ZINC000550603964 941345413 /nfs/dbraw/zinc/34/54/13/941345413.db2.gz AFVGGGBROHALIO-UHFFFAOYSA-N -1 3 409.829 4.158 20 30 HIEDHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnc(C(F)(F)F)c(C#N)c3)s2)c1 ZINC000556191550 942817206 /nfs/dbraw/zinc/81/72/06/942817206.db2.gz GUGBEWAGGMNKKU-UHFFFAOYSA-N -1 3 403.389 4.360 20 30 HIEDHM C=CCc1cc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc(OC)c1O ZINC000559988876 944114197 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N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000138592602 853392014 /nfs/dbraw/zinc/39/20/14/853392014.db2.gz APFGPTZAXQGVKT-CYBMUJFWSA-N -1 3 417.227 4.279 20 30 HIEDHM N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)cc3[O-])o2)cc1 ZINC000261388661 854244090 /nfs/dbraw/zinc/24/40/90/854244090.db2.gz FOLUMAXTGQKFLK-UHFFFAOYSA-N -1 3 413.227 4.451 20 30 HIEDHM COc1cc(/C=C/C(=O)c2cc(OC)c(OC)cc2C)cc(Br)c1[O-] ZINC000303324127 854871851 /nfs/dbraw/zinc/87/18/51/854871851.db2.gz IILNUTNCGTVJDW-AATRIKPKSA-N -1 3 407.260 4.385 20 30 HIEDHM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC000303934458 855301887 /nfs/dbraw/zinc/30/18/87/855301887.db2.gz RHUNZCRGHIQFET-UHFFFAOYSA-N -1 3 411.468 4.171 20 30 HIEDHM C=CCOc1c(Br)cc(CNCc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000426689736 856414132 /nfs/dbraw/zinc/41/41/32/856414132.db2.gz WYJOGRBEGXTERZ-UHFFFAOYSA-N -1 3 420.303 4.401 20 30 HIEDHM COc1cccc([C@@H](CC(=O)[O-])NCc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000426779702 856474631 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HIEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000432299487 859091209 /nfs/dbraw/zinc/09/12/09/859091209.db2.gz QICZCIFCSZSHKA-AWEZNQCLSA-N -1 3 402.825 4.226 20 30 HIEDHM CC1(C)CCCN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)[C@@H]1C#N ZINC000434497530 860373148 /nfs/dbraw/zinc/37/31/48/860373148.db2.gz DTCHLCLDSMKJJV-CQSZACIVSA-N -1 3 422.710 4.098 20 30 HIEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ncc(-c2ccccc2)o1 ZINC000435149596 860666074 /nfs/dbraw/zinc/66/60/74/860666074.db2.gz JNDMOSWBLPDDCP-GFCCVEGCSA-N -1 3 421.400 4.272 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1C(F)(F)F ZINC000435200531 860693472 /nfs/dbraw/zinc/69/34/72/860693472.db2.gz AUSXPFHCCNOWFP-UHFFFAOYSA-N -1 3 413.396 4.117 20 30 HIEDHM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1F ZINC000438712809 864193871 /nfs/dbraw/zinc/19/38/71/864193871.db2.gz BPPJDCYAOJWBTN-UHFFFAOYSA-N -1 3 410.426 4.225 20 30 HIEDHM Cc1nc2ccccc2c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C(C)C 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MUJAGCLECGITIE-UHFFFAOYSA-N -1 3 420.416 4.180 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSc2ccc(C(F)(F)F)cc21 ZINC000469022730 883091763 /nfs/dbraw/zinc/09/17/63/883091763.db2.gz QAMLAYAVXDBUIA-UHFFFAOYSA-N -1 3 421.444 4.366 20 30 HIEDHM N#CC(=C([O-])c1cccc(I)c1)c1cc(C(F)(F)F)ccn1 ZINC000464420944 877631162 /nfs/dbraw/zinc/63/11/62/877631162.db2.gz KDVQKACPTQZEBM-LBPRGKRZSA-N -1 3 416.140 4.195 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCc1cccc(F)c1)C1CCCC1 ZINC000465085841 878447951 /nfs/dbraw/zinc/44/79/51/878447951.db2.gz UCAICUPBRYOMDK-UHFFFAOYSA-N -1 3 409.505 4.361 20 30 HIEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000469698420 883877137 /nfs/dbraw/zinc/87/71/37/883877137.db2.gz DOIKPRISFBQOGV-XTZNXHDOSA-N -1 3 422.710 4.146 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000470685878 885120014 /nfs/dbraw/zinc/12/00/14/885120014.db2.gz NKSMIHMCXCLCMD-UHFFFAOYSA-N -1 3 411.933 4.442 20 30 HIEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc(-c3cc4ccccc4o3)cs2)CCCCC1 ZINC000476193940 891126347 /nfs/dbraw/zinc/12/63/47/891126347.db2.gz GRFCBUSRPUWLHE-UHFFFAOYSA-N -1 3 415.540 4.450 20 30 HIEDHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479525407 894835283 /nfs/dbraw/zinc/83/52/83/894835283.db2.gz KDTGUOOHPXCHRI-UHFFFAOYSA-N -1 3 412.298 4.404 20 30 HIEDHM N#Cc1cc(F)c(C(=O)[N-]c2sc3c(c2C(=O)c2ccncc2)CCC3)c(F)c1 ZINC000484318245 899876217 /nfs/dbraw/zinc/87/62/17/899876217.db2.gz ZMFULKIWGLIJTE-UHFFFAOYSA-N -1 3 409.417 4.265 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Cl)c1Br ZINC000486819073 901872650 /nfs/dbraw/zinc/87/26/50/901872650.db2.gz CQDDLTCBAPKWTK-UHFFFAOYSA-N -1 3 408.683 4.263 20 30 HIEDHM Cc1nc2cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)ccc2n1-c1ccccc1 ZINC000505998359 914667881 /nfs/dbraw/zinc/66/78/81/914667881.db2.gz QYEKZEVKXZPZQY-GOSISDBHSA-N -1 3 406.449 4.404 20 30 HIEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1NC(=O)c1ccco1 ZINC000490123525 903780400 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405.479 4.441 20 30 HIEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1OC(F)F ZINC000513282852 921682495 /nfs/dbraw/zinc/68/24/95/921682495.db2.gz QOLZNWUOKIZEJW-KRWDZBQOSA-N -1 3 403.429 4.077 20 30 HIEDHM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccc(F)cc1C(F)(F)F ZINC000509395549 918062176 /nfs/dbraw/zinc/06/21/76/918062176.db2.gz CYLPAGFDAAVYEC-UHFFFAOYSA-N -1 3 403.275 4.386 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000513604135 921935835 /nfs/dbraw/zinc/93/58/35/921935835.db2.gz FQXHWCUCAUMXTA-CYBMUJFWSA-N -1 3 421.419 4.027 20 30 HIEDHM COc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)c([N+](=O)[O-])cc1OC ZINC000515321902 923049430 /nfs/dbraw/zinc/04/94/30/923049430.db2.gz KNOADSQONAYRIY-UHFFFAOYSA-N -1 3 401.444 4.066 20 30 HIEDHM CN(C(=O)c1ccco1)c1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000518673093 927421242 /nfs/dbraw/zinc/42/12/42/927421242.db2.gz MZNURWJMKMMBOU-OAHLLOKOSA-N -1 3 413.355 4.460 20 30 HIEDHM CC(=O)Nc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)c1 ZINC000535095729 932910496 /nfs/dbraw/zinc/91/04/96/932910496.db2.gz PJHVGXQJFXVXHR-UHFFFAOYSA-N -1 3 417.440 4.204 20 30 HIEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000537747957 938368659 /nfs/dbraw/zinc/36/86/59/938368659.db2.gz VOPGVOJYFBNWPZ-OAHLLOKOSA-N -1 3 422.350 4.408 20 30 HIEDHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)cc2C)cc1 ZINC000538139576 938517376 /nfs/dbraw/zinc/51/73/76/938517376.db2.gz XUKIBXCVBOBOLL-UHFFFAOYSA-N -1 3 422.506 4.393 20 30 HIEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)[n-]n1 ZINC000542834349 939861846 /nfs/dbraw/zinc/86/18/46/939861846.db2.gz BFWINJPLJCIOBH-UHFFFAOYSA-N -1 3 410.817 4.156 20 30 HIEDHM CCOC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)n[n-]1 ZINC000542834349 939861847 /nfs/dbraw/zinc/86/18/47/939861847.db2.gz BFWINJPLJCIOBH-UHFFFAOYSA-N -1 3 410.817 4.156 20 30 HIEDHM N#Cc1cccc(COc2cccc(CN[C@]3(C(=O)[O-])CCc4c3cccc4F)c2)c1 ZINC000551057246 941402362 /nfs/dbraw/zinc/40/23/62/941402362.db2.gz WTPMGYDPIJRAQP-RUZDIDTESA-N -1 3 416.452 4.292 20 30 HIEDHM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000552875564 941796110 /nfs/dbraw/zinc/79/61/10/941796110.db2.gz BAQPLSLJZWFIDK-BTYIYWSLSA-N -1 3 407.514 4.217 20 30 HIEDHM COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000553488443 941894199 /nfs/dbraw/zinc/89/41/99/941894199.db2.gz ZKLCWRNHNOYJSR-YCRPNKLZSA-N -1 3 407.514 4.217 20 30 HIEDHM Cc1sc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)nc1-c1ccc(Cl)cc1 ZINC000553762589 941962036 /nfs/dbraw/zinc/96/20/36/941962036.db2.gz MDLMPEJIGNXAJB-JTQLQIEISA-N -1 3 407.904 4.276 20 30 HIEDHM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc(Cl)c1Br ZINC000556569174 942902005 /nfs/dbraw/zinc/90/20/05/942902005.db2.gz FRIBDTFAVQRIAQ-GFCCVEGCSA-N -1 3 407.699 4.219 20 30 HIEDHM O=c1[nH]c(CC(F)(F)F)c([O-])n1-c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000571848426 947804585 /nfs/dbraw/zinc/80/45/85/947804585.db2.gz VOCSLACOVRWLIA-QMMMGPOBSA-N -1 3 424.219 4.024 20 30 HIEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000436476899 861819212 /nfs/dbraw/zinc/81/92/12/861819212.db2.gz KIOQVNJJLGBIMR-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM N#CCCCOc1cccnc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436569222 861855112 /nfs/dbraw/zinc/85/51/12/861855112.db2.gz BJIBTPNHXGSRDW-UHFFFAOYSA-N -1 3 403.438 4.301 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cc1F ZINC000032434521 848025302 /nfs/dbraw/zinc/02/53/02/848025302.db2.gz LDNGBDMKYVAKCS-UWVGGRQHSA-N -1 3 407.351 4.322 20 30 HIEDHM COc1cccc(-c2nn(Cc3ccccc3)cc2C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493417 848220951 /nfs/dbraw/zinc/22/09/51/848220951.db2.gz DPSDZYNROOCIJT-OAQYLSRUSA-N -1 3 408.461 4.492 20 30 HIEDHM N#CC(=C([O-])c1ccc2c(c1)NC(=O)CO2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514785 848224350 /nfs/dbraw/zinc/22/43/50/848224350.db2.gz NPWSXHFMXPTYPN-AWEZNQCLSA-N -1 3 409.854 4.284 20 30 HIEDHM N#CC(=C([O-])c1ccc(-n2cncn2)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548833 848229906 /nfs/dbraw/zinc/22/99/06/848229906.db2.gz ZBCRPIXMODCMNE-CQSZACIVSA-N -1 3 413.384 4.386 20 30 HIEDHM N#CC(=C([O-])c1cnn(-c2ccc(Br)cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813524 849270190 /nfs/dbraw/zinc/27/01/90/849270190.db2.gz UNYNOKFDSMIAGD-OAHLLOKOSA-N -1 3 406.243 4.001 20 30 HIEDHM O=C(COc1ccc2cc(Br)ccc2c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266389 849448530 /nfs/dbraw/zinc/44/85/30/849448530.db2.gz ZTCXSGDINLTKJE-UHFFFAOYSA-N -1 3 415.169 4.406 20 30 HIEDHM O=C(COc1ccc2cc(Br)ccc2c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266389 849448545 /nfs/dbraw/zinc/44/85/45/849448545.db2.gz ZTCXSGDINLTKJE-UHFFFAOYSA-N -1 3 415.169 4.406 20 30 HIEDHM C=CCOc1cccc(NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436904956 862081487 /nfs/dbraw/zinc/08/14/87/862081487.db2.gz MNUJRAPBTMOPAG-QHCPKHFHSA-N -1 3 416.477 4.457 20 30 HIEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000437003384 862178153 /nfs/dbraw/zinc/17/81/53/862178153.db2.gz VDGUSIHFDOOOQU-UHFFFAOYSA-N -1 3 405.454 4.159 20 30 HIEDHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1 ZINC000064477045 851907755 /nfs/dbraw/zinc/90/77/55/851907755.db2.gz YBTXYNBUGSWPRD-UHFFFAOYSA-N -1 3 421.478 4.500 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1c(Cl)cccc1Cl ZINC000078510434 852517794 /nfs/dbraw/zinc/51/77/94/852517794.db2.gz IMZGXUKVJSOYKQ-UHFFFAOYSA-N -1 3 420.340 4.197 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1Sc1ccccc1 ZINC000078655782 852522939 /nfs/dbraw/zinc/52/29/39/852522939.db2.gz OVTBFIKPCLHJDC-UHFFFAOYSA-N -1 3 417.534 4.264 20 30 HIEDHM N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000111211245 853223761 /nfs/dbraw/zinc/22/37/61/853223761.db2.gz UMBBIXDIPICPLQ-UHFFFAOYSA-N -1 3 412.833 4.020 20 30 HIEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000303860572 855255725 /nfs/dbraw/zinc/25/57/25/855255725.db2.gz PLUMRKAFNZTEAS-RTWAWAEBSA-N -1 3 413.562 4.185 20 30 HIEDHM N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000427069102 856619057 /nfs/dbraw/zinc/61/90/57/856619057.db2.gz HHURWIFROBBWRN-UHFFFAOYSA-N -1 3 412.478 4.066 20 30 HIEDHM N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000427069102 856619058 /nfs/dbraw/zinc/61/90/58/856619058.db2.gz HHURWIFROBBWRN-UHFFFAOYSA-N -1 3 412.478 4.066 20 30 HIEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC[C@H](c1ccccc1)C(F)(F)F ZINC000432270269 859077034 /nfs/dbraw/zinc/07/70/34/859077034.db2.gz UUCAABAZCXDXCJ-CQSZACIVSA-N -1 3 402.825 4.226 20 30 HIEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ncc(-c2ccccc2)o1 ZINC000435149597 860666210 /nfs/dbraw/zinc/66/62/10/860666210.db2.gz JNDMOSWBLPDDCP-LBPRGKRZSA-N -1 3 421.400 4.272 20 30 HIEDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435152802 860667578 /nfs/dbraw/zinc/66/75/78/860667578.db2.gz XVZOSYMYFILGNL-UHFFFAOYSA-N -1 3 409.433 4.287 20 30 HIEDHM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)Cc1ccc(F)c(C#N)c1 ZINC000468279315 882201249 /nfs/dbraw/zinc/20/12/49/882201249.db2.gz BZJQQJBIWXVCFN-UHFFFAOYSA-N -1 3 409.486 4.130 20 30 HIEDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000468359353 882300742 /nfs/dbraw/zinc/30/07/42/882300742.db2.gz WXQXAOLQQLOAIE-UHFFFAOYSA-N -1 3 411.527 4.023 20 30 HIEDHM CN(CC#Cc1ccc(F)cc1)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000446841664 870759837 /nfs/dbraw/zinc/75/98/37/870759837.db2.gz AHBCQRZQNPMLIE-UHFFFAOYSA-N -1 3 408.498 4.110 20 30 HIEDHM COC(=O)c1sc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)nc1C(C)(C)C ZINC000447522129 871386967 /nfs/dbraw/zinc/38/69/67/871386967.db2.gz HFHOHNDKEXQNEP-UHFFFAOYSA-N -1 3 410.455 4.006 20 30 HIEDHM CC(C)(OCC(=O)[N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000447549728 871426561 /nfs/dbraw/zinc/42/65/61/871426561.db2.gz MOLRSPKVZGVLSK-LLVKDONJSA-N -1 3 409.273 4.365 20 30 HIEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000447872649 871794025 /nfs/dbraw/zinc/79/40/25/871794025.db2.gz PLSHRYHHXXZBHX-ZCFIWIBFSA-N -1 3 422.347 4.359 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000460512778 873199714 /nfs/dbraw/zinc/19/97/14/873199714.db2.gz XVCDOPMPEWPGRB-UHFFFAOYSA-N -1 3 417.431 4.423 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC000461203995 874206774 /nfs/dbraw/zinc/20/67/74/874206774.db2.gz XTNHJWMEYBPEHX-FQEVSTJZSA-N -1 3 405.542 4.423 20 30 HIEDHM COCCOc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc2ccccc21 ZINC000464406454 877609031 /nfs/dbraw/zinc/60/90/31/877609031.db2.gz DXJFOTUBIPFDPN-OAHLLOKOSA-N -1 3 415.371 4.164 20 30 HIEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000464414322 877620212 /nfs/dbraw/zinc/62/02/12/877620212.db2.gz JDXZGZGYWXQJDC-CYBMUJFWSA-N -1 3 413.259 4.075 20 30 HIEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)ccc1Cl ZINC000503422327 912414682 /nfs/dbraw/zinc/41/46/82/912414682.db2.gz AREGBDSMQUTIKQ-UHFFFAOYSA-N -1 3 408.870 4.351 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)c1cccc(Cl)c1F ZINC000469496466 883737481 /nfs/dbraw/zinc/73/74/81/883737481.db2.gz UYGRHIBMCYTQRZ-UHFFFAOYSA-N -1 3 403.885 4.095 20 30 HIEDHM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000470301073 884677120 /nfs/dbraw/zinc/67/71/20/884677120.db2.gz ASIYJDUSPHVGPV-GOSISDBHSA-N -1 3 405.420 4.327 20 30 HIEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000474529308 889400332 /nfs/dbraw/zinc/40/03/32/889400332.db2.gz YDQBZYKKHUPSAW-UHFFFAOYSA-N -1 3 420.494 4.110 20 30 HIEDHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@](C)(C#N)CC)ccc2C)cc1 ZINC000504657290 913397395 /nfs/dbraw/zinc/39/73/95/913397395.db2.gz CJOSEFNBHDJJRH-OAQYLSRUSA-N -1 3 415.515 4.073 20 30 HIEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000475801051 890737402 /nfs/dbraw/zinc/73/74/02/890737402.db2.gz YYZZASWPMCNLLZ-UHFFFAOYSA-N -1 3 406.442 4.236 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000504868077 913597432 /nfs/dbraw/zinc/59/74/32/913597432.db2.gz DHSYUJPRJAAOMQ-NSHDSACASA-N -1 3 406.313 4.263 20 30 HIEDHM N#Cc1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cnc1C(F)(F)F ZINC000479225165 894486509 /nfs/dbraw/zinc/48/65/09/894486509.db2.gz YKBZJELLEGDOJP-UHFFFAOYSA-N -1 3 409.780 4.396 20 30 HIEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000479700855 894994240 /nfs/dbraw/zinc/99/42/40/894994240.db2.gz PFYLGKZKNLYKHU-UHFFFAOYSA-N -1 3 421.223 4.183 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCOc1ccccc1C(C)(C)C ZINC000482827432 898435127 /nfs/dbraw/zinc/43/51/27/898435127.db2.gz GWUUVWCANYGWBQ-UHFFFAOYSA-N -1 3 409.530 4.043 20 30 HIEDHM Cc1nc(COc2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2)cs1 ZINC000483194604 898851594 /nfs/dbraw/zinc/85/15/94/898851594.db2.gz ILPOPMXSYQNJRD-SFHVURJKSA-N -1 3 400.463 4.464 20 30 HIEDHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000486513287 901663275 /nfs/dbraw/zinc/66/32/75/901663275.db2.gz BNYQKIUTKCFHOB-UHFFFAOYSA-N -1 3 415.696 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ZINC000508190526 917012510 /nfs/dbraw/zinc/01/25/10/917012510.db2.gz KJBGNXATBHIXME-UHFFFAOYSA-N -1 3 404.297 4.495 20 30 HIEDHM O=S(=O)([N-]c1c(F)cccc1CO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000508242922 917061443 /nfs/dbraw/zinc/06/14/43/917061443.db2.gz RIMZADPFZFQIJD-UHFFFAOYSA-N -1 3 417.302 4.156 20 30 HIEDHM CN(C(=O)c1cccs1)c1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000513659946 921983291 /nfs/dbraw/zinc/98/32/91/921983291.db2.gz IGMSKVCASIHHNN-INIZCTEOSA-N -1 3 414.490 4.401 20 30 HIEDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000515633633 923235386 /nfs/dbraw/zinc/23/53/86/923235386.db2.gz QBLZUJTZGQZSGR-UHFFFAOYSA-N -1 3 414.405 4.089 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000519021396 927697676 /nfs/dbraw/zinc/69/76/76/927697676.db2.gz MWHIYDTVOMTCCQ-MRXNPFEDSA-N -1 3 416.481 4.273 20 30 HIEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000520469783 928585304 /nfs/dbraw/zinc/58/53/04/928585304.db2.gz 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C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)c2ccc3ccccc3c2)ccc1F ZINC000109589259 852989419 /nfs/dbraw/zinc/98/94/19/852989419.db2.gz JUGYNPFONXELEV-UHFFFAOYSA-N -1 3 412.486 4.110 20 30 HIEDHM N#CC(=C([O-])c1cnn(-c2cccc(Br)c2)c1)c1nc2ccccc2[nH]1 ZINC000303317719 854869484 /nfs/dbraw/zinc/86/94/84/854869484.db2.gz QOSYTELCUFSVTF-OAHLLOKOSA-N -1 3 406.243 4.001 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000427230979 856725775 /nfs/dbraw/zinc/72/57/75/856725775.db2.gz IPKYRTCVKLUGEU-UHFFFAOYSA-N -1 3 400.482 4.027 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000427442452 856822011 /nfs/dbraw/zinc/82/20/11/856822011.db2.gz POJIUAGYEIPKIC-UHFFFAOYSA-N -1 3 420.513 4.366 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C(=O)N(C)c4ccccc4)c3)nc1-2 ZINC000429578554 857765054 /nfs/dbraw/zinc/76/50/54/857765054.db2.gz NQYZPFGOTCWPIO-LJQANCHMSA-N -1 3 409.449 4.033 20 30 HIEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc3c(c(Br)c2)OCO3)s1 ZINC000430612551 858236039 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412.493 4.133 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000544921012 940525541 /nfs/dbraw/zinc/52/55/41/940525541.db2.gz XCFVKYLFJYCGOW-UHFFFAOYSA-N -1 3 403.269 4.342 20 30 HIEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000545351920 940564087 /nfs/dbraw/zinc/56/40/87/940564087.db2.gz ZBZXULZRUJPBSZ-JTQLQIEISA-N -1 3 411.159 4.153 20 30 HIEDHM N#CC1(c2ccccn2)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000548812374 941125111 /nfs/dbraw/zinc/12/51/11/941125111.db2.gz SERRPZGTRVNMPW-UHFFFAOYSA-N -1 3 411.505 4.270 20 30 HIEDHM N#CCCC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccccc1 ZINC000554519125 942163003 /nfs/dbraw/zinc/16/30/03/942163003.db2.gz ZKRVFAUYYBYMKZ-KRWDZBQOSA-N -1 3 424.298 4.456 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c(C)c1C ZINC000570254098 947172478 /nfs/dbraw/zinc/17/24/78/947172478.db2.gz RQUQLWDNNWHIIP-UHFFFAOYSA-N -1 3 409.467 4.172 20 30 HIEDHM CCc1ccc(-c2csc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)s1 ZINC000009941449 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WSPHKNYCCOVGPX-UHFFFAOYSA-N -1 3 411.933 4.078 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c(C)c1 ZINC000055588292 850065889 /nfs/dbraw/zinc/06/58/89/850065889.db2.gz NATFVKSRDZMMGM-UHFFFAOYSA-N -1 3 409.467 4.172 20 30 HIEDHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000063497306 851703158 /nfs/dbraw/zinc/70/31/58/851703158.db2.gz OJHVQBGOSFFZEJ-UHFFFAOYSA-N -1 3 422.626 4.432 20 30 HIEDHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000064477358 851907872 /nfs/dbraw/zinc/90/78/72/851907872.db2.gz VVWVBYCTKYUEJV-UHFFFAOYSA-N -1 3 421.478 4.500 20 30 HIEDHM C=CCn1c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nnc1-c1ccncc1 ZINC000096946602 852560951 /nfs/dbraw/zinc/56/09/51/852560951.db2.gz OPRWBPBOPLTOCH-UHFFFAOYSA-N -1 3 416.466 4.213 20 30 HIEDHM CCOc1cc([N-]C(=O)c2c(C)oc(-n3cccc3)c2C#N)c([N+](=O)[O-])cc1OCC ZINC000096992180 852569280 /nfs/dbraw/zinc/56/92/80/852569280.db2.gz TUUGEHMBKDFJTB-UHFFFAOYSA-N -1 3 424.413 4.208 20 30 HIEDHM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1 ZINC000097576495 852637335 /nfs/dbraw/zinc/63/73/35/852637335.db2.gz SQTYYFFLRFCPGF-UHFFFAOYSA-N -1 3 419.828 4.421 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c(Cl)c1 ZINC000236054397 853898597 /nfs/dbraw/zinc/89/85/97/853898597.db2.gz MYVPPCHYMGGCRH-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1Cl ZINC000318460392 855383357 /nfs/dbraw/zinc/38/33/57/855383357.db2.gz FQPXRHNTKMXOBI-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1OC ZINC000409868680 855696821 /nfs/dbraw/zinc/69/68/21/855696821.db2.gz FJASHZCEGUSWSG-UHFFFAOYSA-N -1 3 424.478 4.477 20 30 HIEDHM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000409870756 855698361 /nfs/dbraw/zinc/69/83/61/855698361.db2.gz CIZAZJXWBPGKQR-UHFFFAOYSA-N -1 3 422.462 4.313 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000410203477 855861648 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3 419.525 4.253 20 30 HIEDHM C=CCC[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)c1ccccc1 ZINC000435141727 860662779 /nfs/dbraw/zinc/66/27/79/860662779.db2.gz QYQGVOCYJIBWJE-SFHVURJKSA-N -1 3 417.531 4.286 20 30 HIEDHM Cc1cncc(N(Cc2ccc(F)cc2)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000441426110 866503512 /nfs/dbraw/zinc/50/35/12/866503512.db2.gz RQKAOGRZKZYLTG-UHFFFAOYSA-N -1 3 418.472 4.284 20 30 HIEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442215873 867239594 /nfs/dbraw/zinc/23/95/94/867239594.db2.gz FBUOCDKGGXTIJT-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000442896120 867725914 /nfs/dbraw/zinc/72/59/14/867725914.db2.gz GLIHVQTVLNBHBW-OAQYLSRUSA-N -1 3 402.516 4.345 20 30 HIEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000468341806 882277156 /nfs/dbraw/zinc/27/71/56/882277156.db2.gz WLWKIEUWVHCBGO-LLVKDONJSA-N -1 3 415.298 4.080 20 30 HIEDHM CCOC(=O)c1sc([N-]C(=O)c2c(F)cc(C#N)cc2F)nc1-c1ccccc1 ZINC000445741023 869793099 /nfs/dbraw/zinc/79/30/99/869793099.db2.gz KVIYGXAZWVYFID-UHFFFAOYSA-N -1 3 413.405 4.389 20 30 HIEDHM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2cc(-c3ccccc3F)on2)o1 ZINC000448492436 872479222 /nfs/dbraw/zinc/47/92/22/872479222.db2.gz MRLMJOKEVAFQIG-UHFFFAOYSA-N -1 3 403.369 4.777 20 30 HIEDHM CC#CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000466780915 880560082 /nfs/dbraw/zinc/56/00/82/880560082.db2.gz XIAMDQVXQOBRQW-UHFFFAOYSA-N -1 3 414.527 4.327 20 30 HIEDHM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C ZINC000467195508 880924870 /nfs/dbraw/zinc/92/48/70/880924870.db2.gz LLIVEGGSVRDYTI-AWEZNQCLSA-N -1 3 421.407 4.424 20 30 HIEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1Br ZINC000470453162 884848786 /nfs/dbraw/zinc/84/87/86/884848786.db2.gz SYUYKNIKCKCVEG-UHFFFAOYSA-N -1 3 423.332 4.450 20 30 HIEDHM O=C([N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471144507 885689029 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20 30 HIEDHM Cc1nc2ccc(Br)cn2c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000483716649 899374119 /nfs/dbraw/zinc/37/41/19/899374119.db2.gz ZZALXRNEXCMNPP-LBPRGKRZSA-N -1 3 403.305 4.475 20 30 HIEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC3(CC#N)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000485410303 900707979 /nfs/dbraw/zinc/70/79/79/900707979.db2.gz UPKPXPJBGXPTFC-UHFFFAOYSA-N -1 3 414.487 4.118 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1Cl ZINC000486568376 901713507 /nfs/dbraw/zinc/71/35/07/901713507.db2.gz SICITNAPRQGAAM-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000512721224 921296568 /nfs/dbraw/zinc/29/65/68/921296568.db2.gz SWRPPUFBLSRJHJ-UHFFFAOYSA-N -1 3 416.319 4.022 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccc(C#N)c3C)cc2)cc1 ZINC000512881726 921378170 /nfs/dbraw/zinc/37/81/70/921378170.db2.gz PIFCECZWWFXGPS-UHFFFAOYSA-N -1 3 405.479 4.228 20 30 HIEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)ccc1C(F)(F)F ZINC000509383351 918051036 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4.313 20 30 HIEDHM O=C(CNc1cc(C(F)(F)F)ccc1SCC(F)(F)F)[N-]CC(F)(F)F ZINC000524841794 929854331 /nfs/dbraw/zinc/85/43/31/929854331.db2.gz ILHUUOSAAUUVAG-UHFFFAOYSA-N -1 3 414.293 4.450 20 30 HIEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2Cl)c1 ZINC000525865762 930471503 /nfs/dbraw/zinc/47/15/03/930471503.db2.gz MLOGQUZXKWTGDV-UHFFFAOYSA-N -1 3 403.829 4.314 20 30 HIEDHM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc([O-])ccc2C(F)(F)F)n1 ZINC000527005730 930565554 /nfs/dbraw/zinc/56/55/54/930565554.db2.gz MTSYGVBJOOORNR-UHFFFAOYSA-N -1 3 406.751 4.374 20 30 HIEDHM N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000531155809 930947331 /nfs/dbraw/zinc/94/73/31/930947331.db2.gz FAVULLJKVZRICP-UHFFFAOYSA-N -1 3 413.227 4.451 20 30 HIEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 ZINC000537794315 938377465 /nfs/dbraw/zinc/37/74/65/938377465.db2.gz LBLCUGYMBLHKFL-CQSZACIVSA-N -1 3 419.222 4.011 20 30 HIEDHM Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000543230081 940001983 /nfs/dbraw/zinc/00/19/83/940001983.db2.gz MJUCJXNZGLFDOA-UHFFFAOYSA-N -1 3 417.469 4.083 20 30 HIEDHM Cc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c(Br)c1 ZINC000544786448 940513993 /nfs/dbraw/zinc/51/39/93/940513993.db2.gz RALAUUPZKAEVPM-UHFFFAOYSA-N -1 3 413.275 4.182 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2cccc(C(F)(F)F)c2)no1 ZINC000545549303 940574360 /nfs/dbraw/zinc/57/43/60/940574360.db2.gz BMBHCWCFPUWHRZ-UHFFFAOYSA-N -1 3 402.376 4.054 20 30 HIEDHM COC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCC(c2ccccc2)CC1 ZINC000557942672 943336174 /nfs/dbraw/zinc/33/61/74/943336174.db2.gz RFOGWEIAQKKMPX-UHFFFAOYSA-N -1 3 421.541 4.068 20 30 HIEDHM COc1cc(C([O-])=C(C#N)c2ccncn2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558532141 943590240 /nfs/dbraw/zinc/59/02/40/943590240.db2.gz ITJCOOSGYLGTNC-CQSZACIVSA-N -1 3 424.800 4.329 20 30 HIEDHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000558569267 943602334 /nfs/dbraw/zinc/60/23/34/943602334.db2.gz JHOOMTOKFKVHAJ-LBPRGKRZSA-N -1 3 417.712 4.265 20 30 HIEDHM N#Cc1cc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)cnc1C(F)(F)F ZINC000568421111 946536113 /nfs/dbraw/zinc/53/61/13/946536113.db2.gz VNXABZWQOSWLJY-UHFFFAOYSA-N -1 3 423.807 4.320 20 30 HIEDHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)cc2)cc1 ZINC000572107519 947846072 /nfs/dbraw/zinc/84/60/72/947846072.db2.gz WZMSARRWSNEKMR-UHFFFAOYSA-N -1 3 408.479 4.084 20 30 HIEDHM Cc1cc(C)c(-c2csc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c(C)c1 ZINC000007286595 845301829 /nfs/dbraw/zinc/30/18/29/845301829.db2.gz ZQVDXDWCUYCDTF-UHFFFAOYSA-N -1 3 420.538 4.483 20 30 HIEDHM C=C(C)CNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)ccc1C ZINC000007505527 845348414 /nfs/dbraw/zinc/34/84/14/845348414.db2.gz DVWWNNCYJIAVQC-UHFFFAOYSA-N -1 3 403.573 4.275 20 30 HIEDHM N#Cc1ccccc1N1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436627766 861874190 /nfs/dbraw/zinc/87/41/90/861874190.db2.gz VFNSBLNRADSXCM-UHFFFAOYSA-N -1 3 411.505 4.011 20 30 HIEDHM Cc1ccc(Oc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cn2)cc1C ZINC000042090498 848284599 /nfs/dbraw/zinc/28/45/99/848284599.db2.gz HIHXXKZGJPPHSY-UHFFFAOYSA-N -1 3 416.481 4.239 20 30 HIEDHM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436759206 861948495 /nfs/dbraw/zinc/94/84/95/861948495.db2.gz UWACXWYNDVKPIV-HSZRJFAPSA-N -1 3 413.477 4.207 20 30 HIEDHM COc1ccc(-c2nn(Cc3ccccc3)cc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000049457177 849310679 /nfs/dbraw/zinc/31/06/79/849310679.db2.gz OIGSTHUATJLELQ-NRFANRHFSA-N -1 3 408.461 4.492 20 30 HIEDHM C=CCOc1cccc(NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)c1 ZINC000436904953 862082891 /nfs/dbraw/zinc/08/28/91/862082891.db2.gz MNUJRAPBTMOPAG-HSZRJFAPSA-N -1 3 416.477 4.457 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Br)c(C(F)(F)F)c1 ZINC000055546639 850049875 /nfs/dbraw/zinc/04/98/75/850049875.db2.gz DLUTVRLEXHWSFY-UHFFFAOYSA-N -1 3 405.195 4.140 20 30 HIEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000138592713 853392294 /nfs/dbraw/zinc/39/22/94/853392294.db2.gz APFGPTZAXQGVKT-ZDUSSCGKSA-N -1 3 417.227 4.279 20 30 HIEDHM Cc1nc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2n1-c1ccccc1 ZINC000195556721 853682833 /nfs/dbraw/zinc/68/28/33/853682833.db2.gz GNENXBBTSSNGOV-IBGZPJMESA-N -1 3 410.481 4.142 20 30 HIEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1OCC(F)(F)F ZINC000303737866 855162998 /nfs/dbraw/zinc/16/29/98/855162998.db2.gz HGQVKRNEONSPMK-UHFFFAOYSA-N -1 3 407.392 4.097 20 30 HIEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OCCCC#N ZINC000426729673 856439189 /nfs/dbraw/zinc/43/91/89/856439189.db2.gz FVFAHEZEBFRECP-LJQANCHMSA-N -1 3 406.841 4.086 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000437487547 862845752 /nfs/dbraw/zinc/84/57/52/862845752.db2.gz APBJTYYYWNGLSD-JCNLHEQBSA-N -1 3 417.431 4.290 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000432306820 859096200 /nfs/dbraw/zinc/09/62/00/859096200.db2.gz JSVRNVNPXMYCPL-CQSZACIVSA-N 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ZINC000445454050 869532283 /nfs/dbraw/zinc/53/22/83/869532283.db2.gz JSAJCEJJTXKCLF-UHFFFAOYSA-N -1 3 417.238 4.013 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000468375081 882318719 /nfs/dbraw/zinc/31/87/19/882318719.db2.gz WVAYMSQECXRLFU-HXUWFJFHSA-N -1 3 401.457 4.390 20 30 HIEDHM CC(C)Oc1ccc(C#N)cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446098074 870045401 /nfs/dbraw/zinc/04/54/01/870045401.db2.gz CDBLWPMWPVDZJR-UHFFFAOYSA-N -1 3 410.249 4.330 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)c(Br)c1 ZINC000446444326 870365116 /nfs/dbraw/zinc/36/51/16/870365116.db2.gz LCDTUBIETGEXAZ-UHFFFAOYSA-N -1 3 408.683 4.263 20 30 HIEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nc(-c4ccc5c(c4)OCO5)cs3)on2)c1 ZINC000447465933 871357040 /nfs/dbraw/zinc/35/70/40/871357040.db2.gz YMTVUALFDSMOJJ-UHFFFAOYSA-N -1 3 416.418 4.318 20 30 HIEDHM COC(=O)c1c([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)sc2c1CCCC2 ZINC000448135455 872010635 /nfs/dbraw/zinc/01/06/35/872010635.db2.gz UNPQDWNXVSDSIB-UHFFFAOYSA-N -1 3 407.451 4.192 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC000461203996 874206252 /nfs/dbraw/zinc/20/62/52/874206252.db2.gz XTNHJWMEYBPEHX-HXUWFJFHSA-N -1 3 405.542 4.423 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)cc2)cc1 ZINC000461801455 874915833 /nfs/dbraw/zinc/91/58/33/874915833.db2.gz FNDZGLCENQQURR-KRWDZBQOSA-N -1 3 419.506 4.410 20 30 HIEDHM C[C@@H]1CN(Cc2ccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2)C[C@H](C)O1 ZINC000464397440 877598872 /nfs/dbraw/zinc/59/88/72/877598872.db2.gz IKDYDFIPANKJOL-ZRGWGRIASA-N -1 3 417.431 4.200 20 30 HIEDHM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1cc(C(F)(F)F)ccn1 ZINC000464473455 877694513 /nfs/dbraw/zinc/69/45/13/877694513.db2.gz RVHXGCUDDQRDBS-LLVKDONJSA-N -1 3 409.165 4.001 20 30 HIEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000466259004 879987170 /nfs/dbraw/zinc/98/71/70/879987170.db2.gz MFKDVSURWGCEDN-UHFFFAOYSA-N -1 3 423.185 4.279 20 30 HIEDHM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000467189080 880915665 /nfs/dbraw/zinc/91/56/65/880915665.db2.gz CVLTVGNENOSDKJ-AWEZNQCLSA-N -1 3 400.360 4.093 20 30 HIEDHM O=C([N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471144523 885689655 /nfs/dbraw/zinc/68/96/55/885689655.db2.gz SAHJDDYWJHVHEU-SKDRFNHKSA-N -1 3 406.729 4.083 20 30 HIEDHM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000505647307 914346255 /nfs/dbraw/zinc/34/62/55/914346255.db2.gz UBJMSGZWRLGUEX-UHFFFAOYSA-N -1 3 411.417 4.453 20 30 HIEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000485446365 900741609 /nfs/dbraw/zinc/74/16/09/900741609.db2.gz OGJQIQFHOOQZAV-HNNXBMFYSA-N -1 3 422.350 4.408 20 30 HIEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000487620796 902254585 /nfs/dbraw/zinc/25/45/85/902254585.db2.gz UXSZLEMXSQPQBA-FQEVSTJZSA-N -1 3 418.453 4.106 20 30 HIEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1Oc1ccncc1 ZINC000487683355 902290678 /nfs/dbraw/zinc/29/06/78/902290678.db2.gz CYAMYZKIUKIOAS-UHFFFAOYSA-N -1 3 402.454 4.343 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2c(F)cccc2F)CCCC1 ZINC000513371341 921743871 /nfs/dbraw/zinc/74/38/71/921743871.db2.gz LCPSEWVZUOOIJS-UHFFFAOYSA-N -1 3 413.468 4.115 20 30 HIEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000512199014 920945533 /nfs/dbraw/zinc/94/55/33/920945533.db2.gz CHIJNJQGAZPCDN-UHFFFAOYSA-N -1 3 411.483 4.321 20 30 HIEDHM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1ccc(C(F)(F)F)cn1 ZINC000513733362 922054960 /nfs/dbraw/zinc/05/49/60/922054960.db2.gz QURIPFJSDCEPII-LLVKDONJSA-N -1 3 409.165 4.001 20 30 HIEDHM COC(=O)COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000518175015 927065014 /nfs/dbraw/zinc/06/50/14/927065014.db2.gz RAGKZVWTFIMKIW-SFHVURJKSA-N -1 3 406.463 4.160 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)cc1OC ZINC000519060282 927739004 /nfs/dbraw/zinc/73/90/04/927739004.db2.gz 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N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000542447353 939824893 /nfs/dbraw/zinc/82/48/93/939824893.db2.gz RJPHTWINHPIIIU-UHFFFAOYSA-N -1 3 419.828 4.421 20 30 HIEDHM N#Cc1ccccc1COc1cccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)c1 ZINC000564671495 945723206 /nfs/dbraw/zinc/72/32/06/945723206.db2.gz HIDLRLXKHWQNGP-RUZDIDTESA-N -1 3 416.452 4.292 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc(C(C)C)cc1C(C)C ZINC000007674119 845388417 /nfs/dbraw/zinc/38/84/17/845388417.db2.gz ALZKRTXTABMARP-UHFFFAOYSA-N -1 3 422.525 4.469 20 30 HIEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(CC#N)cc3)c2)cc1 ZINC000015028991 846002094 /nfs/dbraw/zinc/00/20/94/846002094.db2.gz KGTBPXCXPQMLDP-UHFFFAOYSA-N -1 3 419.506 4.423 20 30 HIEDHM N#CCc1ccc(OC[C@H](O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000015232692 846019918 /nfs/dbraw/zinc/01/99/18/846019918.db2.gz BKZQBZKKVANHTJ-AWEZNQCLSA-N -1 3 416.503 4.019 20 30 HIEDHM C=C(C)CN(CC)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000025303459 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416.502 4.097 20 30 HIEDHM COC(=O)COc1c(C)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1C ZINC000437383972 862697986 /nfs/dbraw/zinc/69/79/86/862697986.db2.gz IQFZSTZSOILJRV-GOSISDBHSA-N -1 3 420.490 4.469 20 30 HIEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OCCCC#N ZINC000426729672 856439639 /nfs/dbraw/zinc/43/96/39/856439639.db2.gz FVFAHEZEBFRECP-IBGZPJMESA-N -1 3 406.841 4.086 20 30 HIEDHM C=CCOc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000426800406 856485758 /nfs/dbraw/zinc/48/57/58/856485758.db2.gz OMKXGZYOHATCBM-QGZVFWFLSA-N -1 3 420.303 4.328 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(COc4cccc(C#N)c4)c3)nc1-2 ZINC000429564027 857752441 /nfs/dbraw/zinc/75/24/41/857752441.db2.gz DPWZANXIMVGORG-HXUWFJFHSA-N -1 3 407.433 4.207 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(COc4ccc(C#N)cc4)c3)nc1-2 ZINC000429575073 857761254 /nfs/dbraw/zinc/76/12/54/857761254.db2.gz ITXWJHNBGUDKTI-FQEVSTJZSA-N -1 3 407.433 4.207 20 30 HIEDHM 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KCPYHINKKSAYRV-NRFANRHFSA-N -1 3 417.431 4.289 20 30 HIEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(F)c1 ZINC000493266147 905071061 /nfs/dbraw/zinc/07/10/61/905071061.db2.gz ZGYVYZSLQYGMSN-UHFFFAOYSA-N -1 3 423.185 4.279 20 30 HIEDHM C=C(CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccc1 ZINC000512670871 921281978 /nfs/dbraw/zinc/28/19/78/921281978.db2.gz CIMJBMOCHCODKJ-UHFFFAOYSA-N -1 3 413.905 4.119 20 30 HIEDHM Cc1nc(C)c(CCC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)c(=O)[n-]1 ZINC000501446686 910574821 /nfs/dbraw/zinc/57/48/21/910574821.db2.gz CGMJDRYFCCOJOI-UHFFFAOYSA-N -1 3 416.481 4.015 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccc(C(F)(F)F)cc3)c2)nc2ccccc21 ZINC000513728782 922050170 /nfs/dbraw/zinc/05/01/70/922050170.db2.gz KGBRTGCBUYCQDA-MRXNPFEDSA-N -1 3 409.371 4.268 20 30 HIEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c(C)c1 ZINC000515610827 923214632 /nfs/dbraw/zinc/21/46/32/923214632.db2.gz IDDJZXIISDPSSQ-UHFFFAOYSA-N -1 3 423.494 4.480 20 30 HIEDHM Cc1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1Cc1cccc(F)c1 ZINC000516535486 923785559 /nfs/dbraw/zinc/78/55/59/923785559.db2.gz MPSMBAMCBZPJEG-UHFFFAOYSA-N -1 3 424.501 4.342 20 30 HIEDHM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1C ZINC000516713681 923858817 /nfs/dbraw/zinc/85/88/17/923858817.db2.gz GYNLVDIHJWNHBJ-QGZVFWFLSA-N -1 3 403.463 4.497 20 30 HIEDHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000519061879 927740146 /nfs/dbraw/zinc/74/01/46/927740146.db2.gz USIHAADPVQIAJP-UHFFFAOYSA-N -1 3 408.479 4.340 20 30 HIEDHM N#CC(=C([O-])c1ccc(-n2cncn2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000520427563 928558908 /nfs/dbraw/zinc/55/89/08/928558908.db2.gz OOLWOFTZLRYFFB-AWEZNQCLSA-N -1 3 407.405 4.159 20 30 HIEDHM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000521168895 929040988 /nfs/dbraw/zinc/04/09/88/929040988.db2.gz BPKXYHYNOGYIOG-UHFFFAOYSA-N -1 3 408.882 4.019 20 30 HIEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nc(C(C)(C)C)cs1 ZINC000521664902 929354836 /nfs/dbraw/zinc/35/48/36/929354836.db2.gz CBGQYORNZHZWGC-JTQLQIEISA-N -1 3 417.478 4.371 20 30 HIEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)OCC ZINC000533755519 932012650 /nfs/dbraw/zinc/01/26/50/932012650.db2.gz FHGBDORQONDAEF-HXUWFJFHSA-N -1 3 416.543 4.414 20 30 HIEDHM Cc1cccn2c(=O)c(C([O-])=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cnc12 ZINC000538046126 938480498 /nfs/dbraw/zinc/48/04/98/938480498.db2.gz WLMYZYXMZIWFCX-OAHLLOKOSA-N -1 3 420.881 4.270 20 30 HIEDHM COCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 ZINC000538138876 938517222 /nfs/dbraw/zinc/51/72/22/938517222.db2.gz MAORPDXOEYKAGT-UHFFFAOYSA-N -1 3 424.478 4.306 20 30 HIEDHM C=CCC[C@@H](NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])c1ccccc1 ZINC000542651998 939851759 /nfs/dbraw/zinc/85/17/59/939851759.db2.gz SCOMNOQOZOMCTQ-HXUWFJFHSA-N -1 3 405.454 4.378 20 30 HIEDHM Cc1sc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)nc1-c1ccc(Cl)cc1 ZINC000553762590 941962074 /nfs/dbraw/zinc/96/20/74/941962074.db2.gz MDLMPEJIGNXAJB-SNVBAGLBSA-N 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ZINC000436562937 861853407 /nfs/dbraw/zinc/85/34/07/861853407.db2.gz LBEHEEOJJOMBKP-UHFFFAOYSA-N -1 3 402.406 4.018 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2ccccc2n1C1CCCCC1 ZINC000046496828 848860797 /nfs/dbraw/zinc/86/07/97/848860797.db2.gz ASORJIKCNJWIAL-UHFFFAOYSA-N -1 3 417.513 4.290 20 30 HIEDHM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000055588319 850065264 /nfs/dbraw/zinc/06/52/64/850065264.db2.gz JUGMNFKLAQHOGJ-UHFFFAOYSA-N -1 3 405.479 4.344 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(COc3ccc(CC#N)cc3)c2)cc1 ZINC000055629996 850083170 /nfs/dbraw/zinc/08/31/70/850083170.db2.gz YONLUJMMGVLPPW-UHFFFAOYSA-N -1 3 408.479 4.141 20 30 HIEDHM C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000436916043 862096676 /nfs/dbraw/zinc/09/66/76/862096676.db2.gz UFOBEUNZWHGMMN-GAJHUEQPSA-N -1 3 413.477 4.002 20 30 HIEDHM CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436930629 862110136 /nfs/dbraw/zinc/11/01/36/862110136.db2.gz YZLURDSVNMTJBI-UHFFFAOYSA-N -1 3 400.478 4.143 20 30 HIEDHM CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccc(C(F)(F)F)c1 ZINC000072084920 852501541 /nfs/dbraw/zinc/50/15/41/852501541.db2.gz BRBYVKOIJORZKO-LJQANCHMSA-N -1 3 419.447 4.472 20 30 HIEDHM Cc1ccccc1Oc1ccccc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000078607345 852520534 /nfs/dbraw/zinc/52/05/34/852520534.db2.gz MIXJROAFPQJMJY-UHFFFAOYSA-N -1 3 415.493 4.213 20 30 HIEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3coc(Br)c3)s2)cc1 ZINC000105851240 852733652 /nfs/dbraw/zinc/73/36/52/852733652.db2.gz TWTMDAAJZRJIFS-UHFFFAOYSA-N -1 3 421.301 4.310 20 30 HIEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3Cl)s2)cc1 ZINC000140386908 853442362 /nfs/dbraw/zinc/44/23/62/853442362.db2.gz VZOQVEGTRRVZDK-OAHLLOKOSA-N -1 3 411.870 4.433 20 30 HIEDHM Cc1nc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2n1-c1ccccc1 ZINC000195556719 853682853 /nfs/dbraw/zinc/68/28/53/853682853.db2.gz GNENXBBTSSNGOV-LJQANCHMSA-N -1 3 410.481 4.142 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000302911670 854676053 /nfs/dbraw/zinc/67/60/53/854676053.db2.gz CQYXQWFQNIXLRP-UHFFFAOYSA-N -1 3 407.470 4.279 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000437413745 862778490 /nfs/dbraw/zinc/77/84/90/862778490.db2.gz RWAJQQQZNXJNSR-JCNLHEQBSA-N -1 3 417.431 4.290 20 30 HIEDHM N#CCCCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000426809436 856491187 /nfs/dbraw/zinc/49/11/87/856491187.db2.gz VGJDXTUKFXZVPM-IBGZPJMESA-N -1 3 417.303 4.437 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(NC(=O)c4ccc(F)cc4)c3)nc1-2 ZINC000429570845 857756710 /nfs/dbraw/zinc/75/67/10/857756710.db2.gz PWDCNBNODCYTFO-GOSISDBHSA-N -1 3 413.412 4.148 20 30 HIEDHM N#Cc1c([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000429949279 857964769 /nfs/dbraw/zinc/96/47/69/857964769.db2.gz XFLVLGNCTYFGJW-UHFFFAOYSA-N -1 3 406.261 4.422 20 30 HIEDHM Cc1c(C#N)cccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000431830680 858831017 /nfs/dbraw/zinc/83/10/17/858831017.db2.gz BRFHROVXQUDRKL-UHFFFAOYSA-N -1 3 409.442 4.059 20 30 HIEDHM CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(COc3ccc(CC#N)cc3)c2)cc1 ZINC000432772765 859352773 /nfs/dbraw/zinc/35/27/73/859352773.db2.gz XSIVPDRKTMBBQY-UHFFFAOYSA-N -1 3 421.522 4.198 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000439172988 864601196 /nfs/dbraw/zinc/60/11/96/864601196.db2.gz WMGYHWDXHCYABU-OAQYLSRUSA-N -1 3 405.542 4.470 20 30 HIEDHM Cc1ccc(Cl)c(N(Cc2ncc[nH]2)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000440904418 866000610 /nfs/dbraw/zinc/00/06/10/866000610.db2.gz NUKJUPKPEBRIRI-UHFFFAOYSA-N -1 3 423.904 4.127 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1Br ZINC000442240445 867279411 /nfs/dbraw/zinc/27/94/11/867279411.db2.gz XAEZDXXAKAVYSU-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM CS(=O)(=O)c1ccc(Sc2ccccc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000442652793 867591852 /nfs/dbraw/zinc/59/18/52/867591852.db2.gz OLTDIFDNRUCBPE-SFHVURJKSA-N -1 3 408.504 4.126 20 30 HIEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(C(F)(F)F)ccc3n2C)n1 ZINC000442803793 867681219 /nfs/dbraw/zinc/68/12/19/867681219.db2.gz XVCRARBPPLWVCF-GFCCVEGCSA-N -1 3 421.400 4.320 20 30 HIEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(C(F)(F)F)ccc3n2C)n1 ZINC000442803794 867681323 /nfs/dbraw/zinc/68/13/23/867681323.db2.gz XVCRARBPPLWVCF-LBPRGKRZSA-N -1 3 421.400 4.320 20 30 HIEDHM CC(C)Sc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000443072970 867811619 /nfs/dbraw/zinc/81/16/19/867811619.db2.gz QOHQNNBSJNMFFS-CYBMUJFWSA-N -1 3 405.501 4.006 20 30 HIEDHM CC(C)Sc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000443072973 867811886 /nfs/dbraw/zinc/81/18/86/867811886.db2.gz QOHQNNBSJNMFFS-ZDUSSCGKSA-N -1 3 405.501 4.006 20 30 HIEDHM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1cncc(F)c1 ZINC000444218237 868671449 /nfs/dbraw/zinc/67/14/49/868671449.db2.gz VKPNGLMCZPTEPD-CYBMUJFWSA-N -1 3 416.318 4.212 20 30 HIEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000446764391 870677778 /nfs/dbraw/zinc/67/77/78/870677778.db2.gz GZQZEGHZXTZUBD-HNNXBMFYSA-N -1 3 406.788 4.182 20 30 HIEDHM N#C[C@@H]1N(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCC[C@@]12CCCCO2 ZINC000447919130 871813343 /nfs/dbraw/zinc/81/33/43/871813343.db2.gz UFFWXVAZUNQZHS-KKSFZXQISA-N -1 3 410.499 4.084 20 30 HIEDHM Cc1ccccc1O[C@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000448179354 872056416 /nfs/dbraw/zinc/05/64/16/872056416.db2.gz PLLOLYIRUPDRAH-UNMCSNQZSA-N -1 3 407.514 4.023 20 30 HIEDHM N#Cc1c([N-]C(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)sc2c1CCC2 ZINC000468546056 882586771 /nfs/dbraw/zinc/58/67/71/882586771.db2.gz AOHNGQMYGLZJDM-UHFFFAOYSA-N -1 3 414.533 4.255 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)c3cccc(C#N)c3)cc2)cc1 ZINC000461801456 874915526 /nfs/dbraw/zinc/91/55/26/874915526.db2.gz FNDZGLCENQQURR-QGZVFWFLSA-N -1 3 419.506 4.410 20 30 HIEDHM N#C[C@@H](NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O)C1CCCCC1 ZINC000469718240 883884753 /nfs/dbraw/zinc/88/47/53/883884753.db2.gz QOGUEYZBLGLMHK-OAHLLOKOSA-N -1 3 422.710 4.146 20 30 HIEDHM N#C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCc2ccccc2C1 ZINC000471907605 886689774 /nfs/dbraw/zinc/68/97/74/886689774.db2.gz PCFSLROUPHEBHB-KRWDZBQOSA-N -1 3 414.836 4.088 20 30 HIEDHM COc1ccc(-c2csc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)cc1 ZINC000473452585 888177194 /nfs/dbraw/zinc/17/71/94/888177194.db2.gz ZFQRUUVYHLUDHR-UHFFFAOYSA-N -1 3 421.522 4.262 20 30 HIEDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000476156339 891080768 /nfs/dbraw/zinc/08/07/68/891080768.db2.gz MHLVNIQMTPKNSC-UHFFFAOYSA-N -1 3 412.261 4.338 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000480155552 895540905 /nfs/dbraw/zinc/54/09/05/895540905.db2.gz WDBPHUWPVNXNES-AWEZNQCLSA-N -1 3 412.559 4.455 20 30 HIEDHM Cc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1NC(=O)NC(C)(C)C ZINC000483193911 898851514 /nfs/dbraw/zinc/85/15/14/898851514.db2.gz GRTQZUMDXKPRGK-MRXNPFEDSA-N -1 3 401.470 4.348 20 30 HIEDHM N#CC(=C([O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1cnc2ccccc2n1 ZINC000483211914 898862077 /nfs/dbraw/zinc/86/20/77/898862077.db2.gz IDRIUBRVYFLLFD-OAHLLOKOSA-N -1 3 407.355 4.324 20 30 HIEDHM N#CC(=C([O-])c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1cnc2ccccc2n1 ZINC000483234478 898878653 /nfs/dbraw/zinc/87/86/53/898878653.db2.gz MEQANEPZCFHIHK-LJQANCHMSA-N -1 3 408.417 4.011 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485551396 900825616 /nfs/dbraw/zinc/82/56/16/900825616.db2.gz VKBAQXZMEPGPSF-YMPZKCBVSA-N -1 3 403.526 4.393 20 30 HIEDHM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000512772227 921309481 /nfs/dbraw/zinc/30/94/81/921309481.db2.gz WXHFURRCWLIGFG-UHFFFAOYSA-N -1 3 404.445 4.357 20 30 HIEDHM N#CC(=C([O-])c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccncc2)cs1 ZINC000512973796 921447594 /nfs/dbraw/zinc/44/75/94/921447594.db2.gz BQWJJHQJPOZVDY-RBUKOAKNSA-N -1 3 405.479 4.253 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000513170000 921597762 /nfs/dbraw/zinc/59/77/62/921597762.db2.gz IGTGQVAEWZWBKT-OAHLLOKOSA-N -1 3 409.530 4.090 20 30 HIEDHM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000502327684 911305395 /nfs/dbraw/zinc/30/53/95/911305395.db2.gz ADWYMESNZOTRKC-UHFFFAOYSA-N -1 3 415.262 4.258 20 30 HIEDHM CCOC(=O)c1c(C)oc2ncnc([N-]c3ncc(Cc4ccc(C#N)cc4)s3)c21 ZINC000502743403 911767309 /nfs/dbraw/zinc/76/73/09/911767309.db2.gz FKDYKGOPWXZGED-UHFFFAOYSA-N -1 3 419.466 4.371 20 30 HIEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507954600 916813969 /nfs/dbraw/zinc/81/39/69/916813969.db2.gz WPUFGQIHWNCDRK-CQSZACIVSA-N -1 3 406.788 4.323 20 30 HIEDHM C=CCN(CC=C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000508372924 917172478 /nfs/dbraw/zinc/17/24/78/917172478.db2.gz VWRZVQVMFJXFEG-UHFFFAOYSA-N -1 3 422.909 4.403 20 30 HIEDHM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000511741089 920415746 /nfs/dbraw/zinc/41/57/46/920415746.db2.gz VRIDDMPASXNCFD-UHFFFAOYSA-N -1 3 406.463 4.395 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000515676447 923260983 /nfs/dbraw/zinc/26/09/83/923260983.db2.gz GXLFQFKOHBWXJO-UHFFFAOYSA-N -1 3 408.527 4.439 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000518032796 926971557 /nfs/dbraw/zinc/97/15/57/926971557.db2.gz NAHBLADPODAACO-UHFFFAOYSA-N -1 3 421.526 4.024 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1nc(C2CCCCC2)cs1 ZINC000518879784 927592705 /nfs/dbraw/zinc/59/27/05/927592705.db2.gz BQKVVDCSDUMAIF-UHFFFAOYSA-N -1 3 412.559 4.071 20 30 HIEDHM C=C(C)[C@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1)OCC ZINC000535966408 933528036 /nfs/dbraw/zinc/52/80/36/933528036.db2.gz ZBCPDSPEJQUZDW-IBGZPJMESA-N -1 3 420.506 4.245 20 30 HIEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000536125338 933675110 /nfs/dbraw/zinc/67/51/10/933675110.db2.gz IPIYOVMNRINQCD-AWEZNQCLSA-N -1 3 424.322 4.147 20 30 HIEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ncccc3C(F)(F)F)s2)cc1 ZINC000538844123 938723762 /nfs/dbraw/zinc/72/37/62/938723762.db2.gz AINKCULBDJCPIN-UHFFFAOYSA-N -1 3 421.429 4.368 20 30 HIEDHM CC[C@@H](CC#N)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000545154529 940551904 /nfs/dbraw/zinc/55/19/04/940551904.db2.gz RJRBTJQXRRYHJG-IBGZPJMESA-N -1 3 413.543 4.143 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2c[nH]c3cc(Cl)ccc23)no1 ZINC000545683780 940580596 /nfs/dbraw/zinc/58/05/96/940580596.db2.gz LTIYPZNPFIYINH-UHFFFAOYSA-N -1 3 407.861 4.169 20 30 HIEDHM COc1ccc2cc(-c3noc(CCc4c(C)[n-]c(=O)c(C#N)c4C)n3)ccc2c1 ZINC000546976802 940933925 /nfs/dbraw/zinc/93/39/25/940933925.db2.gz JZSXCUAJBVKKGP-UHFFFAOYSA-N -1 3 400.438 4.273 20 30 HIEDHM Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000558569266 943601563 /nfs/dbraw/zinc/60/15/63/943601563.db2.gz JHOOMTOKFKVHAJ-GFCCVEGCSA-N -1 3 417.712 4.265 20 30 HIEDHM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)cc2)ccn1 ZINC000570865844 947375436 /nfs/dbraw/zinc/37/54/36/947375436.db2.gz JSGLGWTVIUGASW-UHFFFAOYSA-N -1 3 401.394 4.484 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1nc2cc(Cl)ccc2s1 ZINC000435986959 861259975 /nfs/dbraw/zinc/25/99/75/861259975.db2.gz XCKPPHICHXXSPO-UHFFFAOYSA-N -1 3 400.891 4.134 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000020023313 846376691 /nfs/dbraw/zinc/37/66/91/846376691.db2.gz GBEODXNKDRBXFM-QHCPKHFHSA-N -1 3 419.912 4.355 20 30 HIEDHM C=CCN(CC=C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000028492202 847427727 /nfs/dbraw/zinc/42/77/27/847427727.db2.gz IKWIHODXLWDHGK-UHFFFAOYSA-N -1 3 414.527 4.009 20 30 HIEDHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(CN4C[C@@H](C)O[C@@H](C)C4)cs3)on2)cc1 ZINC000031264574 847853841 /nfs/dbraw/zinc/85/38/41/847853841.db2.gz LFCJYAVUPPQOSA-GASCZTMLSA-N -1 3 412.515 4.352 20 30 HIEDHM CCOC(=O)CSc1nnc([N-]C(=O)c2sc(-c3ccc(C)o3)nc2C)s1 ZINC000031283557 847857140 /nfs/dbraw/zinc/85/71/40/847857140.db2.gz DOUKHEFKXMKKBV-UHFFFAOYSA-N -1 3 424.529 4.163 20 30 HIEDHM N#C[C@@H]1N(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC[C@]12CCCCO2 ZINC000436809547 861996982 /nfs/dbraw/zinc/99/69/82/861996982.db2.gz UGTGFYPVEFHNOS-UKILVPOCSA-N -1 3 404.510 4.245 20 30 HIEDHM COc1ccc(-c2nn(Cc3ccccc3)cc2C([O-])=C(C#N)c2ccccn2)cc1 ZINC000049457178 849310022 /nfs/dbraw/zinc/31/00/22/849310022.db2.gz OIGSTHUATJLELQ-OAQYLSRUSA-N -1 3 408.461 4.492 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1OC ZINC000057123187 850553143 /nfs/dbraw/zinc/55/31/43/850553143.db2.gz PRJQSEUVYAXJTJ-UHFFFAOYSA-N -1 3 410.451 4.169 20 30 HIEDHM Cc1csc(Sc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)n1 ZINC000071937948 852437611 /nfs/dbraw/zinc/43/76/11/852437611.db2.gz DRQZDSJCQZCRTP-UHFFFAOYSA-N -1 3 424.551 4.351 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000437285518 862538630 /nfs/dbraw/zinc/53/86/30/862538630.db2.gz MZAAYRICDGMXEL-MAUKXSAKSA-N -1 3 404.297 4.187 20 30 HIEDHM C=CCn1c(SCc2cc(=O)oc3cc([O-])c(CC)cc23)nnc1-c1ccncc1 ZINC000255929372 854219843 /nfs/dbraw/zinc/21/98/43/854219843.db2.gz AJIFDISVKKKUNA-UHFFFAOYSA-N -1 3 420.494 4.193 20 30 HIEDHM CC[C@H](CC#N)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000302176032 854543493 /nfs/dbraw/zinc/54/34/93/854543493.db2.gz WJJXRTGUWSCYHE-OAHLLOKOSA-N -1 3 402.476 4.117 20 30 HIEDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410334165 855934419 /nfs/dbraw/zinc/93/44/19/855934419.db2.gz UKZDVCRCHYGGTR-UHFFFAOYSA-N -1 3 409.433 4.287 20 30 HIEDHM COc1cc(Cl)c(Br)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000429112837 857515314 /nfs/dbraw/zinc/51/53/14/857515314.db2.gz IRDIQRMPSYTSLE-NSHDSACASA-N -1 3 418.678 4.488 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(NC(=O)c4cccs4)c3)nc1-2 ZINC000429602928 857786020 /nfs/dbraw/zinc/78/60/20/857786020.db2.gz ZOCPUQOQJOJTBE-HNNXBMFYSA-N -1 3 401.451 4.070 20 30 HIEDHM Cc1c(C#N)cccc1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430577346 858225224 /nfs/dbraw/zinc/22/52/24/858225224.db2.gz UKGFUJNHYKBUNR-UHFFFAOYSA-N -1 3 416.662 4.376 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000435370833 860768189 /nfs/dbraw/zinc/76/81/89/860768189.db2.gz QTJQSBRVXTXMMA-UHFFFAOYSA-N -1 3 404.495 4.393 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c(Cl)c1 ZINC000442845075 867695005 /nfs/dbraw/zinc/69/50/05/867695005.db2.gz HKLYWGZWMTUFSP-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4cncn4)cc3C)n2)cc1 ZINC000442867969 867705232 /nfs/dbraw/zinc/70/52/32/867705232.db2.gz BHNWOBYWBYKTKV-IBGZPJMESA-N -1 3 415.478 4.198 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000468280344 882202975 /nfs/dbraw/zinc/20/29/75/882202975.db2.gz JBWWMMZLPVHOTK-GFCCVEGCSA-N -1 3 405.420 4.147 20 30 HIEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000464414323 877622230 /nfs/dbraw/zinc/62/22/30/877622230.db2.gz JDXZGZGYWXQJDC-ZDUSSCGKSA-N -1 3 413.259 4.075 20 30 HIEDHM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1cc(C(F)(F)F)ccn1 ZINC000464473460 877694570 /nfs/dbraw/zinc/69/45/70/877694570.db2.gz RVHXGCUDDQRDBS-NSHDSACASA-N -1 3 409.165 4.001 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2c[nH]nc2-c2cccc(OC(F)F)c2)nc2ccccc21 ZINC000464510535 877734182 /nfs/dbraw/zinc/73/41/82/877734182.db2.gz LMZLLDMUCKWUCB-AWEZNQCLSA-N -1 3 407.380 4.055 20 30 HIEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503293052 912275495 /nfs/dbraw/zinc/27/54/95/912275495.db2.gz WNVSCXWJJWELJI-UHFFFAOYSA-N -1 3 401.401 4.108 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000464657146 877877609 /nfs/dbraw/zinc/87/76/09/877877609.db2.gz AOJULNHHDVMCEA-UHFFFAOYSA-N -1 3 403.486 4.156 20 30 HIEDHM C=CCCN(C)Cc1nc(=O)c2c(C)c(C(=O)Nc3ccc(C)cc3C)sc2[n-]1 ZINC000467298981 881046483 /nfs/dbraw/zinc/04/64/83/881046483.db2.gz XUJJHLWPHPGINU-UHFFFAOYSA-N -1 3 410.543 4.170 20 30 HIEDHM C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000504283963 913137762 /nfs/dbraw/zinc/13/77/62/913137762.db2.gz KQQHDWFYNJYXLY-UHFFFAOYSA-N -1 3 413.474 4.326 20 30 HIEDHM COC(=O)c1ccc([C@@H]([N-]C(=O)c2cc(F)c(F)c(F)c2F)C(F)(F)F)cc1 ZINC000479122553 894391350 /nfs/dbraw/zinc/39/13/50/894391350.db2.gz WFVNLKCQZBUJRV-CQSZACIVSA-N -1 3 409.257 4.063 20 30 HIEDHM C=CCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000479546690 894847610 /nfs/dbraw/zinc/84/76/10/894847610.db2.gz QKBUAGKFIHEGET-UHFFFAOYSA-N -1 3 408.907 4.444 20 30 HIEDHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3cc(Br)ccc3F)s2)s1 ZINC000487261184 902124199 /nfs/dbraw/zinc/12/41/99/902124199.db2.gz WXSAAHAGNJIWQE-UHFFFAOYSA-N -1 3 409.265 4.292 20 30 HIEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000487620797 902253893 /nfs/dbraw/zinc/25/38/93/902253893.db2.gz UXSZLEMXSQPQBA-HXUWFJFHSA-N -1 3 418.453 4.106 20 30 HIEDHM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1ccc(C(F)(F)F)cn1 ZINC000489891082 903654859 /nfs/dbraw/zinc/65/48/59/903654859.db2.gz RQXPVFMHZZYKML-LBPRGKRZSA-N -1 3 407.302 4.109 20 30 HIEDHM CCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Br ZINC000490539028 904086572 /nfs/dbraw/zinc/08/65/72/904086572.db2.gz AOAWAJCTLHEWPQ-UHFFFAOYSA-N -1 3 418.291 4.008 20 30 HIEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(C)c1Br ZINC000494860795 906045015 /nfs/dbraw/zinc/04/50/15/906045015.db2.gz JIDQUXUQBMZUPK-UHFFFAOYSA-N -1 3 402.292 4.226 20 30 HIEDHM COc1ccc(-c2nn(-c3ccccc3)cc2C([O-])=C(C#N)c2ccccn2)cc1OC ZINC000502708917 911741820 /nfs/dbraw/zinc/74/18/20/911741820.db2.gz ZXCDBBJQEPTJNB-LJQANCHMSA-N -1 3 424.460 4.442 20 30 HIEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)c2)n1 ZINC000502932613 911918878 /nfs/dbraw/zinc/91/88/78/911918878.db2.gz XUMCQLILICTJKH-UHFFFAOYSA-N -1 3 424.464 4.030 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000513411951 921779889 /nfs/dbraw/zinc/77/98/89/921779889.db2.gz ZZUHVXMCCOITCI-UHFFFAOYSA-N -1 3 404.297 4.321 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)c2-n2cccc2)nc2ccccc21 ZINC000513672438 921995266 /nfs/dbraw/zinc/99/52/66/921995266.db2.gz ROUHWVLQVZKCBT-GOSISDBHSA-N -1 3 424.439 4.179 20 30 HIEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4cccn4)cc3)n2)cc1 ZINC000516270358 923638095 /nfs/dbraw/zinc/63/80/95/923638095.db2.gz UUDYTEWWTUKGDF-LJQANCHMSA-N -1 3 400.463 4.494 20 30 HIEDHM N#CC(=C([O-])c1ccc(-n2cncn2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000520427564 928559125 /nfs/dbraw/zinc/55/91/25/928559125.db2.gz OOLWOFTZLRYFFB-CQSZACIVSA-N -1 3 407.405 4.159 20 30 HIEDHM N#Cc1ccc([N-]S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)c(Cl)c1 ZINC000520907996 928868705 /nfs/dbraw/zinc/86/87/05/928868705.db2.gz IAUXDYIPKUZWLH-UHFFFAOYSA-N -1 3 410.842 4.216 20 30 HIEDHM CC(C)(C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000525089880 930028370 /nfs/dbraw/zinc/02/83/70/930028370.db2.gz RQEHAGCIVNCOMZ-UHFFFAOYSA-N -1 3 412.298 4.282 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2c[nH]c3ccc(Cl)cc23)no1 ZINC000545025243 940534610 /nfs/dbraw/zinc/53/46/10/940534610.db2.gz WAYLDIGFFZJRAM-UHFFFAOYSA-N -1 3 407.861 4.169 20 30 HIEDHM Cc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccc1N1CC[C@H](C)C1 ZINC000546472445 940829740 /nfs/dbraw/zinc/82/97/40/940829740.db2.gz LTIFNRGEAJDOAV-AWEZNQCLSA-N -1 3 417.513 4.266 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccccc2OC(F)(F)F)no1 ZINC000547035110 940968842 /nfs/dbraw/zinc/96/88/42/940968842.db2.gz OOJIQVIKNMAFQV-UHFFFAOYSA-N -1 3 404.348 4.010 20 30 HIEDHM COc1ccc(-c2cc3[n-]c(CN[C@@H](C)c4ccc(C#N)cc4)nc(=O)c3s2)cc1 ZINC000552505835 941690273 /nfs/dbraw/zinc/69/02/73/941690273.db2.gz SLVDQUVAKWTOTM-AWEZNQCLSA-N -1 3 416.506 4.383 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1Cl ZINC000567553270 946375880 /nfs/dbraw/zinc/37/58/80/946375880.db2.gz KAPVKNCBLSCYNX-UHFFFAOYSA-N -1 3 415.858 4.208 20 30 HIEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000572212574 947865813 /nfs/dbraw/zinc/86/58/13/947865813.db2.gz NAQVJQCEJNPAEM-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM C=CC[C@@H]1N(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)CCCC1(C)C ZINC000436096961 861378684 /nfs/dbraw/zinc/37/86/84/861378684.db2.gz HDHKNGWNCXBRCJ-SFHVURJKSA-N -1 3 409.552 4.055 20 30 HIEDHM CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2OC)cc(Br)c1[O-] ZINC000006613621 845214774 /nfs/dbraw/zinc/21/47/74/845214774.db2.gz TWDYBGSBFPBBAL-VMPITWQZSA-N -1 3 407.260 4.467 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000007674100 845388346 /nfs/dbraw/zinc/38/83/46/845388346.db2.gz QMWCSVRMGXUNQD-UHFFFAOYSA-N -1 3 420.509 4.270 20 30 HIEDHM Cc1sc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1-c1ccc(F)cc1 ZINC000020010134 846375045 /nfs/dbraw/zinc/37/50/45/846375045.db2.gz SIEGPNQBJZZHPN-UHFFFAOYSA-N -1 3 410.474 4.006 20 30 HIEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000024497277 846832291 /nfs/dbraw/zinc/83/22/91/846832291.db2.gz OIQJBMOQADUJGF-UHFFFAOYSA-N -1 3 424.497 4.455 20 30 HIEDHM C=CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000024497300 846832426 /nfs/dbraw/zinc/83/24/26/846832426.db2.gz CREFCEBMLCYFNJ-UHFFFAOYSA-N -1 3 424.497 4.455 20 30 HIEDHM CSc1nc([O-])c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1C#N ZINC000027609994 847327298 /nfs/dbraw/zinc/32/72/98/847327298.db2.gz QVYWWISJRUFTDK-UHFFFAOYSA-N -1 3 407.480 4.009 20 30 HIEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cc1 ZINC000029330874 847546971 /nfs/dbraw/zinc/54/69/71/847546971.db2.gz XLXYASRPCSDVOS-UHFFFAOYSA-N -1 3 401.532 4.384 20 30 HIEDHM CC(C)CCN(CCC#N)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436558507 861850919 /nfs/dbraw/zinc/85/09/19/861850919.db2.gz VZXUIMCYQVBOST-QFIPXVFZSA-N -1 3 407.514 4.042 20 30 HIEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3cc4c(cc3[O-])OCO4)c2)cc1 ZINC000436673070 861890054 /nfs/dbraw/zinc/89/00/54/861890054.db2.gz NPBZTDGQWOTANV-UHFFFAOYSA-N -1 3 402.406 4.018 20 30 HIEDHM CN(C(=O)CSc1ccccc1C([O-])=C(C#N)c1ccccn1)C1CCCCC1 ZINC000046439421 848849055 /nfs/dbraw/zinc/84/90/55/848849055.db2.gz SDYKIPVPCDAVCK-LJQANCHMSA-N -1 3 407.539 4.455 20 30 HIEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)cc1 ZINC000047991982 849148793 /nfs/dbraw/zinc/14/87/93/849148793.db2.gz JTVXQTSBKAZNKS-UHFFFAOYSA-N -1 3 409.467 4.254 20 30 HIEDHM CCOc1cc(/C=C\C(=O)c2cccc(NC(C)=O)c2)cc(Br)c1[O-] ZINC000048417710 849219545 /nfs/dbraw/zinc/21/95/45/849219545.db2.gz LWVQRSCRNQAYLD-FPLPWBNLSA-N -1 3 404.260 4.408 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000055796184 850155450 /nfs/dbraw/zinc/15/54/50/850155450.db2.gz AXRFKKQGVXCZOV-UHFFFAOYSA-N -1 3 419.456 4.153 20 30 HIEDHM CCOc1cc(/C=C/C(=O)c2ccc3c(c2)CCC(=O)N3)cc(Br)c1[O-] ZINC000059270395 850990329 /nfs/dbraw/zinc/99/03/29/850990329.db2.gz NGHMYZCXCUPZBE-XVNBXDOJSA-N -1 3 416.271 4.334 20 30 HIEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCC#N)c2)cc1 ZINC000060617400 851168753 /nfs/dbraw/zinc/16/87/53/851168753.db2.gz 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C=CCc1cc(CNc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)cc(OC)c1OC ZINC000518318398 927182019 /nfs/dbraw/zinc/18/20/19/927182019.db2.gz VAELZZBXWVPDCV-UHFFFAOYSA-N -1 3 406.486 4.164 20 30 HIEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)c(Cl)c1 ZINC000519491343 927986297 /nfs/dbraw/zinc/98/62/97/927986297.db2.gz OACCZJFCYXLBEC-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](C)C#N)c2)cc1 ZINC000521142513 929020813 /nfs/dbraw/zinc/02/08/13/929020813.db2.gz CEOPCWPJEWCNQM-INIZCTEOSA-N -1 3 413.543 4.028 20 30 HIEDHM N#CC(=C([O-])c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccncn1 ZINC000544814763 940516775 /nfs/dbraw/zinc/51/67/75/940516775.db2.gz HIFSMTZXSLFXBN-OAHLLOKOSA-N -1 3 407.817 4.140 20 30 HIEDHM N#CC(=C([O-])c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)c1ccncn1 ZINC000544814762 940516876 /nfs/dbraw/zinc/51/68/76/940516876.db2.gz HIFSMTZXSLFXBN-HNNXBMFYSA-N -1 3 407.817 4.140 20 30 HIEDHM N#CC(=C([O-])c1ccc(COc2ccccc2Br)cc1)c1ccncn1 ZINC000545447055 940570387 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000072081298 852500095 /nfs/dbraw/zinc/50/00/95/852500095.db2.gz NZIXNXJIUMFJEU-FQEVSTJZSA-N -1 3 419.447 4.328 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000427807780 856963915 /nfs/dbraw/zinc/96/39/15/856963915.db2.gz VOWCOILLNYNMBS-UHFFFAOYSA-N -1 3 411.465 4.390 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(NC(=O)c4cccs4)c3)nc1-2 ZINC000429602930 857785473 /nfs/dbraw/zinc/78/54/73/857785473.db2.gz ZOCPUQOQJOJTBE-OAHLLOKOSA-N -1 3 401.451 4.070 20 30 HIEDHM CCN(CCC#N)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000439136975 864569432 /nfs/dbraw/zinc/56/94/32/864569432.db2.gz GYFODIIRRAWSJY-UHFFFAOYSA-N -1 3 413.543 4.097 20 30 HIEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000443387771 867947936 /nfs/dbraw/zinc/94/79/36/867947936.db2.gz NURFAHSWHUWHGF-MRXNPFEDSA-N -1 3 414.508 4.011 20 30 HIEDHM C=CC[C@H]1N(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCCC1(C)C ZINC000444638012 868925580 /nfs/dbraw/zinc/92/55/80/868925580.db2.gz TXAFEOUKTQCXTF-LJQANCHMSA-N -1 3 419.522 4.162 20 30 HIEDHM CSc1nn(-c2ccccc2)c([N-]C(=O)c2cc(-c3ccccc3)no2)c1C#N ZINC000445569390 869629147 /nfs/dbraw/zinc/62/91/47/869629147.db2.gz VAXNDPSQLLYXKN-UHFFFAOYSA-N -1 3 401.451 4.373 20 30 HIEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)c(F)c1 ZINC000446766487 870679790 /nfs/dbraw/zinc/67/97/90/870679790.db2.gz INAJDJWAFXWOBM-UHFFFAOYSA-N -1 3 403.660 4.055 20 30 HIEDHM Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000448179347 872056586 /nfs/dbraw/zinc/05/65/86/872056586.db2.gz PLLOLYIRUPDRAH-IFMALSPDSA-N -1 3 407.514 4.023 20 30 HIEDHM N#Cc1ccc(OCc2ccc(C(=O)[N-]c3cc(-c4ccccc4F)on3)o2)cc1 ZINC000448493046 872479767 /nfs/dbraw/zinc/47/97/67/872479767.db2.gz RUITURFJEUMXQH-UHFFFAOYSA-N -1 3 403.369 4.777 20 30 HIEDHM N#Cc1cccc(OCc2ccoc2C(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1 ZINC000448540575 872543032 /nfs/dbraw/zinc/54/30/32/872543032.db2.gz AZOBYWHJADNUAV-UHFFFAOYSA-N -1 3 403.369 4.777 20 30 HIEDHM COc1ccc(-c2ccc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)cc1 ZINC000460590587 873328650 /nfs/dbraw/zinc/32/86/50/873328650.db2.gz ZMGFLEUPMZRNTN-UHFFFAOYSA-N -1 3 415.493 4.200 20 30 HIEDHM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)c2)cc1 ZINC000460821917 873705130 /nfs/dbraw/zinc/70/51/30/873705130.db2.gz CHEGWAHXYCNDTG-UHFFFAOYSA-N -1 3 412.442 4.310 20 30 HIEDHM N#CC(=C([O-])c1cccc(NC(=O)c2cccnc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464408748 877613184 /nfs/dbraw/zinc/61/31/84/877613184.db2.gz RYVGPYXPNVTPSR-KRWDZBQOSA-N -1 3 410.355 4.238 20 30 HIEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)C(F)F)nc1)c1cc(C(F)(F)F)ccn1 ZINC000464415399 877621694 /nfs/dbraw/zinc/62/16/94/877621694.db2.gz WNNNUOFLJDMWJP-NSHDSACASA-N -1 3 421.272 4.265 20 30 HIEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(-c2ccccc2)cs1 ZINC000503493847 912539499 /nfs/dbraw/zinc/53/94/99/912539499.db2.gz VGGYPTXDVJLXFR-LBPRGKRZSA-N -1 3 403.916 4.375 20 30 HIEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000466877735 880645615 /nfs/dbraw/zinc/64/56/15/880645615.db2.gz NXRVIAZIBPBYGL-NSHDSACASA-N -1 3 409.842 4.117 20 30 HIEDHM CC(C)CCN(CCC#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469644048 883846394 /nfs/dbraw/zinc/84/63/94/883846394.db2.gz UJRWELSUCDXEKI-UHFFFAOYSA-N -1 3 424.726 4.346 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1Br ZINC000478941409 894222675 /nfs/dbraw/zinc/22/26/75/894222675.db2.gz DONWZQXDGFLIGO-UHFFFAOYSA-N -1 3 408.683 4.263 20 30 HIEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)n1 ZINC000480507030 895875328 /nfs/dbraw/zinc/87/53/28/895875328.db2.gz ZKWFSUSLNVAYSB-UHFFFAOYSA-N -1 3 402.454 4.079 20 30 HIEDHM COc1ccc(NC(=O)CC(C)(C)C#N)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000486344876 901517442 /nfs/dbraw/zinc/51/74/42/901517442.db2.gz PUWPMPATDBOUJG-UHFFFAOYSA-N -1 3 421.906 4.028 20 30 HIEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486425806 901583539 /nfs/dbraw/zinc/58/35/39/901583539.db2.gz RVEXBNXROKRRKV-AEFFLSMTSA-N -1 3 414.303 4.136 20 30 HIEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)ccc1Cl ZINC000486556012 901702793 /nfs/dbraw/zinc/70/27/93/901702793.db2.gz LDXVXIFPVJYAQR-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM N#CC(=C([O-])c1cnc(OC2CCCCC2)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000496720630 906743269 /nfs/dbraw/zinc/74/32/69/906743269.db2.gz DCNKYRROMARTFD-INIZCTEOSA-N -1 3 413.909 4.254 20 30 HIEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000507891279 916740758 /nfs/dbraw/zinc/74/07/58/916740758.db2.gz IEEHMEZBIUMIEG-AWEZNQCLSA-N -1 3 406.788 4.323 20 30 HIEDHM C=C(C)CCc1noc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)n1 ZINC000508643538 917408649 /nfs/dbraw/zinc/40/86/49/917408649.db2.gz KRTXCQXLQLRJEM-UHFFFAOYSA-N -1 3 413.499 4.363 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000509296019 917977229 /nfs/dbraw/zinc/97/72/29/917977229.db2.gz XXCCZMCZSNJJOE-KRWDZBQOSA-N -1 3 409.383 4.157 20 30 HIEDHM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)o1 ZINC000521208527 929061460 /nfs/dbraw/zinc/06/14/60/929061460.db2.gz AFMWYOKAUJMLAR-UHFFFAOYSA-N -1 3 419.828 4.421 20 30 HIEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C(=O)OC(C)(C)C ZINC000534162132 932309785 /nfs/dbraw/zinc/30/97/85/932309785.db2.gz HYBXNSIISOICDV-UHFFFAOYSA-N -1 3 409.486 4.111 20 30 HIEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000536125071 933674625 /nfs/dbraw/zinc/67/46/25/933674625.db2.gz CUOAMRFRDCGVHD-OAHLLOKOSA-N -1 3 412.364 4.442 20 30 HIEDHM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2)o1 ZINC000537383929 933748517 /nfs/dbraw/zinc/74/85/17/933748517.db2.gz NYNQKTCJHCOVNE-CQSZACIVSA-N -1 3 423.379 4.118 20 30 HIEDHM COCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)cc1 ZINC000538137558 938516524 /nfs/dbraw/zinc/51/65/24/938516524.db2.gz NXOYCLJCCNYXHH-UHFFFAOYSA-N -1 3 409.467 4.001 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(COc2ccc3ccccc3c2)no1 ZINC000544251931 940368554 /nfs/dbraw/zinc/36/85/54/940368554.db2.gz LQULUYWUYOARLL-UHFFFAOYSA-N -1 3 400.438 4.176 20 30 HIEDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000558162381 943402278 /nfs/dbraw/zinc/40/22/78/943402278.db2.gz CZROZDKOLUDISW-HNNXBMFYSA-N -1 3 410.245 4.114 20 30 HIEDHM N#Cc1ccc(N2CCC(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CC2)c(F)c1 ZINC000560599728 944269694 /nfs/dbraw/zinc/26/96/94/944269694.db2.gz SDKKYJFHSRVRCL-UHFFFAOYSA-N -1 3 407.367 4.277 20 30 HIEDHM CC(C)(CCC#N)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000565562034 945849207 /nfs/dbraw/zinc/84/92/07/945849207.db2.gz PBXDGEBLVFBLMO-UHFFFAOYSA-N -1 3 410.699 4.004 20 30 HIEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)cc(Br)cc1Cl ZINC000436007565 861296883 /nfs/dbraw/zinc/29/68/83/861296883.db2.gz NPYQDLJZUSDHPY-UHFFFAOYSA-N -1 3 415.696 4.092 20 30 HIEDHM Cc1ccc(-c2csc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1C ZINC000007286598 845301575 /nfs/dbraw/zinc/30/15/75/845301575.db2.gz ATUUBUOJVNPEJJ-UHFFFAOYSA-N -1 3 406.511 4.175 20 30 HIEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccc2c1=O ZINC000041504861 848222179 /nfs/dbraw/zinc/22/21/79/848222179.db2.gz VZFJDCNRPHSYAZ-MRXNPFEDSA-N -1 3 402.479 4.152 20 30 HIEDHM C=CCn1c(Cc2ccccc2)nnc1SCc1noc(-c2ccccc2[O-])n1 ZINC000436709533 861898781 /nfs/dbraw/zinc/89/87/81/861898781.db2.gz YAGYDQZHUBRABZ-UHFFFAOYSA-N -1 3 405.483 4.103 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000046016565 848773850 /nfs/dbraw/zinc/77/38/50/848773850.db2.gz WYDZOVMXVMQNQA-UHFFFAOYSA-N -1 3 412.493 4.129 20 30 HIEDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)cc1OC ZINC000061432198 851375329 /nfs/dbraw/zinc/37/53/29/851375329.db2.gz ZQNKDLOEEKWGDB-UHFFFAOYSA-N -1 3 401.444 4.066 20 30 HIEDHM Cc1nc(-c2ccc(Cl)s2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000138825152 853396598 /nfs/dbraw/zinc/39/65/98/853396598.db2.gz YMLBSOVUKXHJEH-JTQLQIEISA-N -1 3 402.888 4.190 20 30 HIEDHM CCOc1cc(/C=C\C(=O)c2ccc(OC)cc2OC)cc(Br)c1[O-] ZINC000206105239 853797222 /nfs/dbraw/zinc/79/72/22/853797222.db2.gz TWDYBGSBFPBBAL-YVMONPNESA-N -1 3 407.260 4.467 20 30 HIEDHM CC[C@@H](CC#N)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000302176031 854543618 /nfs/dbraw/zinc/54/36/18/854543618.db2.gz WJJXRTGUWSCYHE-HNNXBMFYSA-N -1 3 402.476 4.117 20 30 HIEDHM COC(=O)COc1c(C)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1C ZINC000437383975 862697640 /nfs/dbraw/zinc/69/76/40/862697640.db2.gz IQFZSTZSOILJRV-SFHVURJKSA-N -1 3 420.490 4.469 20 30 HIEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1 ZINC000409867587 855695837 /nfs/dbraw/zinc/69/58/37/855695837.db2.gz AOGGJJZXGIEHGU-UHFFFAOYSA-N -1 3 424.478 4.177 20 30 HIEDHM C=CCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1OC ZINC000426813343 856493570 /nfs/dbraw/zinc/49/35/70/856493570.db2.gz WNAINZBQSWDTRJ-QGZVFWFLSA-N -1 3 424.266 4.077 20 30 HIEDHM Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428259421 857129671 /nfs/dbraw/zinc/12/96/71/857129671.db2.gz NUKBSMMANAYSIQ-LBPRGKRZSA-N -1 3 418.931 4.078 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(COc4cccc(C#N)c4)c3)nc1-2 ZINC000429564020 857752513 /nfs/dbraw/zinc/75/25/13/857752513.db2.gz DPWZANXIMVGORG-FQEVSTJZSA-N -1 3 407.433 4.207 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)nc1-2 ZINC000429586610 857770539 /nfs/dbraw/zinc/77/05/39/857770539.db2.gz BREQSXWMRAKPSK-MRXNPFEDSA-N -1 3 412.409 4.408 20 30 HIEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(O[C@H]4CCOC4)cc3)n2)cc1 ZINC000434622087 860434943 /nfs/dbraw/zinc/43/49/43/860434943.db2.gz AIBBWFKRUDVOTN-VQTJNVASSA-N -1 3 420.490 4.476 20 30 HIEDHM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000435403347 860787037 /nfs/dbraw/zinc/78/70/37/860787037.db2.gz URFGTRLKWORWMW-YADHBBJMSA-N -1 3 407.514 4.023 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(C#N)cc3C)cc2)cc1 ZINC000438904250 864385134 /nfs/dbraw/zinc/38/51/34/864385134.db2.gz 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N#C[C@@H]1N(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCC[C@]12CCCCO2 ZINC000447919122 871813051 /nfs/dbraw/zinc/81/30/51/871813051.db2.gz UFFWXVAZUNQZHS-HRAATJIYSA-N -1 3 410.499 4.084 20 30 HIEDHM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000464202563 877372526 /nfs/dbraw/zinc/37/25/26/877372526.db2.gz BXSJEKHDXMGHCC-KRWDZBQOSA-N -1 3 409.239 4.274 20 30 HIEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Br ZINC000464416206 877623369 /nfs/dbraw/zinc/62/33/69/877623369.db2.gz AGBBUGFYXRKCBI-UHFFFAOYSA-N -1 3 415.696 4.092 20 30 HIEDHM O=C(N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000503513599 912560915 /nfs/dbraw/zinc/56/09/15/912560915.db2.gz NQBGWRIMPQQBQY-CYBMUJFWSA-N -1 3 406.261 4.149 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000467253845 880986183 /nfs/dbraw/zinc/98/61/83/880986183.db2.gz LPTVDXHACKSTBO-UHFFFAOYSA-N -1 3 403.486 4.101 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000469424209 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411.461 4.241 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)cc1F ZINC000032434520 848024924 /nfs/dbraw/zinc/02/49/24/848024924.db2.gz LDNGBDMKYVAKCS-NXEZZACHSA-N -1 3 407.351 4.322 20 30 HIEDHM C=C(C)CCc1noc(-c2cc(CN3C(=O)c4ccccc4C3=O)cc(C)c2[O-])n1 ZINC000436686312 861894565 /nfs/dbraw/zinc/89/45/65/861894565.db2.gz OENPTIWRXLRDSI-UHFFFAOYSA-N -1 3 403.438 4.056 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)cc1 ZINC000045027453 848624889 /nfs/dbraw/zinc/62/48/89/848624889.db2.gz DXQGKNSLEWONKL-UHFFFAOYSA-N -1 3 406.467 4.312 20 30 HIEDHM CN(C(=O)CSc1ccccc1C([O-])=C(C#N)c1ccccn1)C1CCCCC1 ZINC000046439420 848849295 /nfs/dbraw/zinc/84/92/95/848849295.db2.gz SDYKIPVPCDAVCK-IBGZPJMESA-N -1 3 407.539 4.455 20 30 HIEDHM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c12 ZINC000049408315 849309221 /nfs/dbraw/zinc/30/92/21/849309221.db2.gz FZRCVOFTSMUENX-KRWDZBQOSA-N -1 3 402.502 4.269 20 30 HIEDHM C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(C#N)cc1 ZINC000436916046 862095576 /nfs/dbraw/zinc/09/55/76/862095576.db2.gz UFOBEUNZWHGMMN-UZUQRXQVSA-N -1 3 413.477 4.002 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000060949626 851254914 /nfs/dbraw/zinc/25/49/14/851254914.db2.gz RQLRXIUHYQDMJS-UHFFFAOYSA-N -1 3 418.931 4.273 20 30 HIEDHM COc1ccc(N(Cc2cccs2)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000060953714 851257915 /nfs/dbraw/zinc/25/79/15/851257915.db2.gz VCXHKKBIOSWLIB-UHFFFAOYSA-N -1 3 421.522 4.100 20 30 HIEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000437125585 862314174 /nfs/dbraw/zinc/31/41/74/862314174.db2.gz RCPIJQMKWNCMMG-JOCHJYFZSA-N -1 3 411.521 4.463 20 30 HIEDHM CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000065880205 852299690 /nfs/dbraw/zinc/29/96/90/852299690.db2.gz ZXTPWUYLMJJSTA-UHFFFAOYSA-N -1 3 414.429 4.089 20 30 HIEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000124374502 853369475 /nfs/dbraw/zinc/36/94/75/853369475.db2.gz UCNLEAVOSGRIHY-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM COc1cccc(-c2ccc(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2)c1 ZINC000303976610 855332907 /nfs/dbraw/zinc/33/29/07/855332907.db2.gz GAERGKFBLNZSPJ-UHFFFAOYSA-N -1 3 415.493 4.200 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1NC(=O)C[C@H]1C=CCC1 ZINC000410006032 855775059 /nfs/dbraw/zinc/77/50/59/855775059.db2.gz WYVOCOWGSHOMQR-KRWDZBQOSA-N -1 3 418.497 4.142 20 30 HIEDHM N#CCCCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000426794497 856482269 /nfs/dbraw/zinc/48/22/69/856482269.db2.gz RXKPWKYHGUNXJZ-SFHVURJKSA-N -1 3 403.276 4.047 20 30 HIEDHM Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428259420 857130302 /nfs/dbraw/zinc/13/03/02/857130302.db2.gz NUKBSMMANAYSIQ-GFCCVEGCSA-N -1 3 418.931 4.078 20 30 HIEDHM Cc1c(C#N)cccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000431875241 858850771 /nfs/dbraw/zinc/85/07/71/858850771.db2.gz KPMAKFSRYMISQC-UHFFFAOYSA-N 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C=C[C@@](C)(CCOC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000445618705 869682765 /nfs/dbraw/zinc/68/27/65/869682765.db2.gz FNLKYUBVXFYBLC-QFIPXVFZSA-N -1 3 416.543 4.272 20 30 HIEDHM Cn1cc(C(N)=O)cc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000447158690 871054761 /nfs/dbraw/zinc/05/47/61/871054761.db2.gz XQIXATWHHXJHCX-LBPRGKRZSA-N -1 3 419.293 4.044 20 30 HIEDHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1cccc(OC(F)(F)F)c1 ZINC000447280507 871173556 /nfs/dbraw/zinc/17/35/56/871173556.db2.gz WYCIHYBGPJIINF-UHFFFAOYSA-N -1 3 419.274 4.266 20 30 HIEDHM CC(C)C(=O)N(C)Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464430452 877642266 /nfs/dbraw/zinc/64/22/66/877642266.db2.gz ZLWTVEDOQPCIME-QGZVFWFLSA-N -1 3 403.404 4.205 20 30 HIEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464463236 877684392 /nfs/dbraw/zinc/68/43/92/877684392.db2.gz FHTOIBWOLKBWRD-KRWDZBQOSA-N -1 3 422.428 4.307 20 30 HIEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cc(F)cc4n[n-]nc43)cc2Cl)c1 ZINC000503284135 912264542 /nfs/dbraw/zinc/26/45/42/912264542.db2.gz GFWFZMFQYKUREX-UHFFFAOYSA-N -1 3 421.819 4.453 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000466878735 880645895 /nfs/dbraw/zinc/64/58/95/880645895.db2.gz VALWFMCDOLYDQU-UHFFFAOYSA-N -1 3 415.896 4.349 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)C1Cc2ccccc2C1 ZINC000470772778 885239788 /nfs/dbraw/zinc/23/97/88/885239788.db2.gz KZYSMAWJNMQKLN-UHFFFAOYSA-N -1 3 411.505 4.409 20 30 HIEDHM Cc1cc(Br)c(F)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000471572718 886283962 /nfs/dbraw/zinc/28/39/62/886283962.db2.gz IBABJBOEHXNDNK-UHFFFAOYSA-N -1 3 406.255 4.057 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000473555758 888294459 /nfs/dbraw/zinc/29/44/59/888294459.db2.gz XJVGFUKMVMEPIH-UHFFFAOYSA-N -1 3 401.466 4.053 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000475221485 890090082 /nfs/dbraw/zinc/09/00/82/890090082.db2.gz WDZUTDDQXISOTN-LJQANCHMSA-N 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ZINC000512981328 921452452 /nfs/dbraw/zinc/45/24/52/921452452.db2.gz OLOHIASRNOQDBO-CYBMUJFWSA-N -1 3 401.394 4.305 20 30 HIEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c(C)c1 ZINC000501864305 910893136 /nfs/dbraw/zinc/89/31/36/910893136.db2.gz YGOFRFCBDSIISX-UHFFFAOYSA-N -1 3 414.405 4.007 20 30 HIEDHM C[C@H](Sc1nc(N)c(C#N)cc1C#N)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000507345043 916098025 /nfs/dbraw/zinc/09/80/25/916098025.db2.gz FPLGFFRDAHBKOT-VIFPVBQESA-N -1 3 420.479 4.231 20 30 HIEDHM N#Cc1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cnc1C(F)(F)F ZINC000517968382 926912180 /nfs/dbraw/zinc/91/21/80/926912180.db2.gz KETJZPSUJXUECR-UHFFFAOYSA-N -1 3 409.780 4.396 20 30 HIEDHM COCCN(Cc1ccc(C#N)cc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000532944598 931706939 /nfs/dbraw/zinc/70/69/39/931706939.db2.gz CWIBVXMQMVGZSB-UHFFFAOYSA-N -1 3 420.494 4.177 20 30 HIEDHM C=C(C)[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1)OCC ZINC000533755518 932012271 /nfs/dbraw/zinc/01/22/71/932012271.db2.gz FHGBDORQONDAEF-FQEVSTJZSA-N -1 3 416.543 4.414 20 30 HIEDHM N#C[C@H]([N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000537747952 938368766 /nfs/dbraw/zinc/36/87/66/938368766.db2.gz VOPGVOJYFBNWPZ-HNNXBMFYSA-N -1 3 422.350 4.408 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC000545706477 940581677 /nfs/dbraw/zinc/58/16/77/940581677.db2.gz PZNJLLRMJUSKLM-UHFFFAOYSA-N -1 3 406.339 4.269 20 30 HIEDHM COc1ccc(-c2cc3[n-]c(CN[C@H](C)c4ccc(C#N)cc4)nc(=O)c3s2)cc1 ZINC000552505836 941690492 /nfs/dbraw/zinc/69/04/92/941690492.db2.gz SLVDQUVAKWTOTM-CQSZACIVSA-N -1 3 416.506 4.383 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000553760381 941961548 /nfs/dbraw/zinc/96/15/48/941961548.db2.gz CVAFNQFDNDVKQU-CYBMUJFWSA-N -1 3 419.447 4.317 20 30 HIEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000558512468 943582227 /nfs/dbraw/zinc/58/22/27/943582227.db2.gz YVXZRZCFZJLEMS-UHFFFAOYSA-N -1 3 403.320 4.499 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000560688009 944295146 /nfs/dbraw/zinc/29/51/46/944295146.db2.gz HXSCBASRJLQWPA-UHFFFAOYSA-N -1 3 415.497 4.047 20 30 HIEDHM N#C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CCN1Cc1ccccc1 ZINC000436542621 861843812 /nfs/dbraw/zinc/84/38/12/861843812.db2.gz AJAQPQZLGYXGSQ-HXUWFJFHSA-N -1 3 413.477 4.035 20 30 HIEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccc2c1=O ZINC000041504865 848222104 /nfs/dbraw/zinc/22/21/04/848222104.db2.gz VZFJDCNRPHSYAZ-INIZCTEOSA-N -1 3 402.479 4.152 20 30 HIEDHM Cc1cc(C(C#N)=C([O-])c2cc(-c3ccco3)nc3c2cnn3C(C)C)nc(C)n1 ZINC000041561476 848233250 /nfs/dbraw/zinc/23/32/50/848233250.db2.gz GITQPTVXYVQHLR-INIZCTEOSA-N -1 3 400.442 4.169 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000046803070 848937982 /nfs/dbraw/zinc/93/79/82/848937982.db2.gz VNEZFJMMRCQIGX-DEOSSOPVSA-N -1 3 413.521 4.286 20 30 HIEDHM C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(C#N)cc1 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SYJBKHZASGJPOG-UHFFFAOYSA-N -1 3 424.810 4.186 20 30 HIEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000303860571 855255561 /nfs/dbraw/zinc/25/55/61/855255561.db2.gz PLUMRKAFNZTEAS-NHCUHLMSSA-N -1 3 413.562 4.185 20 30 HIEDHM N#Cc1nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1C(F)(F)F ZINC000409713072 855615904 /nfs/dbraw/zinc/61/59/04/855615904.db2.gz CFQGQCGSNKSSAW-UHFFFAOYSA-N -1 3 424.810 4.186 20 30 HIEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000410115968 855826703 /nfs/dbraw/zinc/82/67/03/855826703.db2.gz ILFKNRUWLOHHOQ-LBPRGKRZSA-N -1 3 421.400 4.272 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000410298176 855913646 /nfs/dbraw/zinc/91/36/46/855913646.db2.gz DVIAFZKCVAFDJH-OAHLLOKOSA-N -1 3 406.511 4.209 20 30 HIEDHM C=CCc1cc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc(OC)c1O ZINC000426807610 856489365 /nfs/dbraw/zinc/48/93/65/856489365.db2.gz IFHHGXOUBJUDOE-KRWDZBQOSA-N -1 3 420.303 4.197 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)cc1F ZINC000427331355 856774805 /nfs/dbraw/zinc/77/48/05/856774805.db2.gz ORJYCDKJZFGRLQ-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000432299488 859091452 /nfs/dbraw/zinc/09/14/52/859091452.db2.gz QICZCIFCSZSHKA-CQSZACIVSA-N -1 3 402.825 4.226 20 30 HIEDHM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1C#N ZINC000435141653 860662744 /nfs/dbraw/zinc/66/27/44/860662744.db2.gz QGPRTPYGBCZZDK-UHFFFAOYSA-N -1 3 414.405 4.087 20 30 HIEDHM CC(C)Oc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1C#N ZINC000435546689 860861373 /nfs/dbraw/zinc/86/13/73/860861373.db2.gz VXKLYQCJIAGTPR-UHFFFAOYSA-N -1 3 404.264 4.135 20 30 HIEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4cncn4)c(C)c3)n2)cc1 ZINC000442857560 867700287 /nfs/dbraw/zinc/70/02/87/867700287.db2.gz GGUPRQATLLRBAY-GOSISDBHSA-N -1 3 415.478 4.198 20 30 HIEDHM Cc1sc(C[N-]S(=O)(=O)c2ccccc2C#N)nc1-c1ccc(Cl)cc1 ZINC000443026792 867796107 /nfs/dbraw/zinc/79/61/07/867796107.db2.gz NPXKBIXICOHZSH-UHFFFAOYSA-N -1 3 403.916 4.122 20 30 HIEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2Cl)cc1 ZINC000445192886 869269328 /nfs/dbraw/zinc/26/93/28/869269328.db2.gz WSBQXOSMMWNIRP-UHFFFAOYSA-N -1 3 410.773 4.265 20 30 HIEDHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000447262638 871140742 /nfs/dbraw/zinc/14/07/42/871140742.db2.gz FOLLEWSVQIPYFX-UHFFFAOYSA-N -1 3 403.275 4.386 20 30 HIEDHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc(C(F)(F)F)cc1 ZINC000447273332 871162232 /nfs/dbraw/zinc/16/22/32/871162232.db2.gz GXSVTGOACSEANU-UHFFFAOYSA-N -1 3 403.275 4.386 20 30 HIEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc(C)c1F ZINC000460430254 873094080 /nfs/dbraw/zinc/09/40/80/873094080.db2.gz OVMKZJWIBNAIOL-UHFFFAOYSA-N -1 3 402.369 4.056 20 30 HIEDHM CCOC(=O)c1cc2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc2[nH]1 ZINC000464428921 877640261 /nfs/dbraw/zinc/64/02/61/877640261.db2.gz URJHZUSSXLGJMC-AWEZNQCLSA-N -1 3 401.344 4.248 20 30 HIEDHM CCCCOc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1Cl ZINC000466520540 880296893 /nfs/dbraw/zinc/29/68/93/880296893.db2.gz UDTFPRNSEQXBOL-UHFFFAOYSA-N -1 3 415.921 4.357 20 30 HIEDHM Cc1nc(-c2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cc(=O)[n-]1 ZINC000503641214 912745099 /nfs/dbraw/zinc/74/50/99/912745099.db2.gz DCUGUSARRHFKTC-UHFFFAOYSA-N -1 3 411.465 4.351 20 30 HIEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000475788438 890728136 /nfs/dbraw/zinc/72/81/36/890728136.db2.gz NAYAAJUVNWIJDX-UHFFFAOYSA-N -1 3 415.478 4.006 20 30 HIEDHM Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)oc1-c1ccc(Cl)cc1 ZINC000476355476 891260123 /nfs/dbraw/zinc/26/01/23/891260123.db2.gz YLNKVCUEFWUYRE-UHFFFAOYSA-N -1 3 407.923 4.197 20 30 HIEDHM C=CCc1cccc(C(C)C)c1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000476790631 891773162 /nfs/dbraw/zinc/77/31/62/891773162.db2.gz QWJQHFVITDEACZ-UHFFFAOYSA-N -1 3 412.964 4.170 20 30 HIEDHM N#CC(=C([O-])c1cccc(OCc2cn3ccccc3n2)c1)c1cnc2ccccc2n1 ZINC000483194304 898851009 /nfs/dbraw/zinc/85/10/09/898851009.db2.gz GTWXUEHARIGEAK-FQEVSTJZSA-N -1 3 419.444 4.347 20 30 HIEDHM COc1ccc(CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@H](C)C2CC2)cc1 ZINC000484254528 899836002 /nfs/dbraw/zinc/83/60/02/899836002.db2.gz MODSCBQZKLCBNK-QGZVFWFLSA-N -1 3 407.514 4.044 20 30 HIEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C#N)CC)c2)cc1 ZINC000487082084 902050913 /nfs/dbraw/zinc/05/09/13/902050913.db2.gz FSECLVSXLYVWEL-SFHVURJKSA-N -1 3 413.543 4.170 20 30 HIEDHM O=S(=O)([N-]Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1C(F)(F)F ZINC000488863674 903048270 /nfs/dbraw/zinc/04/82/70/903048270.db2.gz VQCFAVOPQYCNGV-UHFFFAOYSA-N -1 3 401.303 4.342 20 30 HIEDHM O=S(=O)([N-]Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1C(F)(F)F ZINC000488939795 903088523 /nfs/dbraw/zinc/08/85/23/903088523.db2.gz ICPYXOHQRJQLPR-UHFFFAOYSA-N -1 3 401.303 4.342 20 30 HIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(-c4ccc(Br)cc4)n3)nc21 ZINC000497868789 907347060 /nfs/dbraw/zinc/34/70/60/907347060.db2.gz OIXRCXFDKVTJGV-HNNXBMFYSA-N -1 3 420.270 4.310 20 30 HIEDHM O=C(Cn1ccc(C(F)(F)F)n1)[N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000509179731 917890555 /nfs/dbraw/zinc/89/05/55/917890555.db2.gz QQEZGRWLRXYHLI-LBPRGKRZSA-N -1 3 403.685 4.114 20 30 HIEDHM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1ccc(C(F)(F)F)c(F)c1 ZINC000509392388 918057794 /nfs/dbraw/zinc/05/77/94/918057794.db2.gz POQSHQHCBDDUAH-UHFFFAOYSA-N -1 3 403.275 4.386 20 30 HIEDHM C=CCN(Cc1ccccc1)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000509795568 918402272 /nfs/dbraw/zinc/40/22/72/918402272.db2.gz ULQNEDBPWRGKME-UHFFFAOYSA-N -1 3 421.522 4.167 20 30 HIEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)CC#N)c2)cc1 ZINC000512111540 920867113 /nfs/dbraw/zinc/86/71/13/920867113.db2.gz KCMOZADKXRJBMJ-QGZVFWFLSA-N -1 3 413.543 4.170 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccc(C(F)(F)F)cc3)c2)nc2ccccc21 ZINC000513728780 922049624 /nfs/dbraw/zinc/04/96/24/922049624.db2.gz KGBRTGCBUYCQDA-INIZCTEOSA-N -1 3 409.371 4.268 20 30 HIEDHM N#Cc1c([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])sc2c1CCC2 ZINC000515284735 923034384 /nfs/dbraw/zinc/03/43/84/923034384.db2.gz LNZXSWDRMFFSEJ-UHFFFAOYSA-N -1 3 411.361 4.210 20 30 HIEDHM C=C1CCN(c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])CC1 ZINC000517457140 924202714 /nfs/dbraw/zinc/20/27/14/924202714.db2.gz XJHUJZXIFMNWCF-UHFFFAOYSA-N -1 3 401.488 4.169 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000519021395 927698238 /nfs/dbraw/zinc/69/82/38/927698238.db2.gz MWHIYDTVOMTCCQ-INIZCTEOSA-N -1 3 416.481 4.273 20 30 HIEDHM N#CC(=C([O-])c1csc(I)c1)c1ccc(C(F)(F)F)cn1 ZINC000520791615 928820304 /nfs/dbraw/zinc/82/03/04/928820304.db2.gz ZOYFQYDJLDHOGU-VIFPVBQESA-N -1 3 422.169 4.257 20 30 HIEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3c(C#N)nnc4ccccc43)cc2)cc1 ZINC000525358596 930194734 /nfs/dbraw/zinc/19/47/34/930194734.db2.gz DQFFCXDNSDYAIA-UHFFFAOYSA-N -1 3 416.462 4.403 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000538026491 938469766 /nfs/dbraw/zinc/46/97/66/938469766.db2.gz OIWHHPCRHADFPX-UHFFFAOYSA-N -1 3 401.466 4.426 20 30 HIEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4ccnc4)cc3)n2)cc1 ZINC000538365734 938604723 /nfs/dbraw/zinc/60/47/23/938604723.db2.gz ZZRKSVXBBAESNM-LJQANCHMSA-N -1 3 400.463 4.494 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000540520771 939286044 /nfs/dbraw/zinc/28/60/44/939286044.db2.gz IBQZUROAMVMNJC-UHFFFAOYSA-N -1 3 411.465 4.186 20 30 HIEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCC#N)c2)cc1 ZINC000544255086 940370055 /nfs/dbraw/zinc/37/00/55/940370055.db2.gz FHHPGBUNQSGIPR-UHFFFAOYSA-N -1 3 413.543 4.172 20 30 HIEDHM COc1cc(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc(OC)c1[O-] ZINC000545142373 940549452 /nfs/dbraw/zinc/54/94/52/940549452.db2.gz JVQXCFWFUZHZCH-OAHLLOKOSA-N -1 3 402.450 4.439 20 30 HIEDHM Cc1ccc(Cl)c2sc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc21 ZINC000553489473 941894800 /nfs/dbraw/zinc/89/48/00/941894800.db2.gz OFNBJMAWCPURFF-UHFFFAOYSA-N -1 3 400.891 4.419 20 30 HIEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(C)(C)CCC#N)c2)cc1 ZINC000553755659 941960540 /nfs/dbraw/zinc/96/05/40/941960540.db2.gz GIGCSVCTYMOUKD-UHFFFAOYSA-N -1 3 413.543 4.164 20 30 HIEDHM N#CCCC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1ccccc1 ZINC000554519126 942163055 /nfs/dbraw/zinc/16/30/55/942163055.db2.gz ZKRVFAUYYBYMKZ-QGZVFWFLSA-N -1 3 424.298 4.456 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000560784765 944329762 /nfs/dbraw/zinc/32/97/62/944329762.db2.gz ILQKWWSRJAFFGU-UHFFFAOYSA-N -1 3 402.426 4.394 20 30 HIEDHM CSc1ccc(C(=O)c2ccccc2C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000566396129 946020560 /nfs/dbraw/zinc/02/05/60/946020560.db2.gz WESSSXTWBRCJDM-QGZVFWFLSA-N -1 3 417.446 4.433 20 30 HIEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)cc1Br ZINC000566880393 946148813 /nfs/dbraw/zinc/14/88/13/946148813.db2.gz IHHJGKRIQBDUNC-UHFFFAOYSA-N -1 3 406.255 4.057 20 30 HIEDHM O=S(=O)([N-]Cc1ccc(OC(F)F)c(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000567452680 946343681 /nfs/dbraw/zinc/34/36/81/946343681.db2.gz OLYSHHRBBDSPFP-UHFFFAOYSA-N -1 3 417.302 4.064 20 30 HIEDHM Cc1ccc(C2(CNC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCCC2)c(C)c1 ZINC000568316314 946502675 /nfs/dbraw/zinc/50/26/75/946502675.db2.gz UXFAJTICYFKGLP-UHFFFAOYSA-N -1 3 405.542 4.453 20 30 HIEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c(C)c1 ZINC000568339551 946517020 /nfs/dbraw/zinc/51/70/20/946517020.db2.gz WAHLUKJLIKLSDB-UHFFFAOYSA-N -1 3 409.467 4.254 20 30 HIEDHM C#Cc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c1 ZINC000023388666 846693634 /nfs/dbraw/zinc/69/36/34/846693634.db2.gz LVOVKOUGYLOCGS-UHFFFAOYSA-N -1 3 420.490 4.038 20 30 HIEDHM CCOC(=O)CSc1nnc([N-]C(=O)c2sc(C)nc2-c2ccccc2)s1 ZINC000029475192 847568687 /nfs/dbraw/zinc/56/86/87/847568687.db2.gz HPHVKYPVDKGKMY-UHFFFAOYSA-N -1 3 420.541 4.262 20 30 HIEDHM Cc1nc(C)c(C#N)c(S[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000029675139 847599504 /nfs/dbraw/zinc/59/95/04/847599504.db2.gz PLZRELCCLADDFZ-JTQLQIEISA-N -1 3 409.496 4.376 20 30 HIEDHM C=CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000032787203 848075807 /nfs/dbraw/zinc/07/58/07/848075807.db2.gz BPRDBEIJRWYFLF-UHFFFAOYSA-N -1 3 419.506 4.468 20 30 HIEDHM COCCOc1ccc(C#N)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436836006 862014931 /nfs/dbraw/zinc/01/49/31/862014931.db2.gz BKUOUZGEZVRNLG-UHFFFAOYSA-N -1 3 418.449 4.120 20 30 HIEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc4c(cc3[O-])CCCC4)ccc21 ZINC000436842387 862019393 /nfs/dbraw/zinc/01/93/93/862019393.db2.gz VPAKZFFJRRJWEM-UHFFFAOYSA-N -1 3 403.482 4.106 20 30 HIEDHM CN(C(=O)C1CC1)c1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000051656084 849499373 /nfs/dbraw/zinc/49/93/73/849499373.db2.gz KBQOBECKOGUVIB-OAHLLOKOSA-N -1 3 408.408 4.294 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000055679482 850106972 /nfs/dbraw/zinc/10/69/72/850106972.db2.gz UXTDZEYRQGXQJH-UHFFFAOYSA-N -1 3 415.493 4.056 20 30 HIEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3c[n-]c4ccccc4c3=O)c2)cc1 ZINC000058426101 850820877 /nfs/dbraw/zinc/82/08/77/850820877.db2.gz QJCIAUKRUWTIQM-UHFFFAOYSA-N -1 3 409.445 4.425 20 30 HIEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3Cl)s2)cc1 ZINC000140386743 853442894 /nfs/dbraw/zinc/44/28/94/853442894.db2.gz VZOQVEGTRRVZDK-HNNXBMFYSA-N -1 3 411.870 4.433 20 30 HIEDHM CCc1nnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c(C#N)c1CC ZINC000301639485 854435795 /nfs/dbraw/zinc/43/57/95/854435795.db2.gz YCWFICRYDOUZOC-UHFFFAOYSA-N -1 3 422.510 4.375 20 30 HIEDHM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Br)c2)cc1OC ZINC000426800405 856485337 /nfs/dbraw/zinc/48/53/37/856485337.db2.gz OMKXGZYOHATCBM-KRWDZBQOSA-N -1 3 420.303 4.328 20 30 HIEDHM C=CCc1cc(CN[C@H](CC(=O)[O-])c2cccc(Br)c2)cc(OC)c1O ZINC000426807611 856489221 /nfs/dbraw/zinc/48/92/21/856489221.db2.gz IFHHGXOUBJUDOE-QGZVFWFLSA-N -1 3 420.303 4.197 20 30 HIEDHM CCCN(CCC)C(=O)c1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429580190 857765707 /nfs/dbraw/zinc/76/57/07/857765707.db2.gz SZQABNAIBUYBAR-SFHVURJKSA-N -1 3 403.486 4.019 20 30 HIEDHM C=CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000431243463 858526999 /nfs/dbraw/zinc/52/69/99/858526999.db2.gz DAFJRRWTHNFSLY-UHFFFAOYSA-N -1 3 402.516 4.345 20 30 HIEDHM Cc1sc(C[N-]S(=O)(=O)c2ccc(C#N)s2)nc1-c1ccc(Cl)cc1 ZINC000435435669 860798138 /nfs/dbraw/zinc/79/81/38/860798138.db2.gz BOXCKELOCRWRLV-UHFFFAOYSA-N -1 3 409.945 4.184 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000440748081 865887116 /nfs/dbraw/zinc/88/71/16/865887116.db2.gz NARRJZSGAPNJJD-IBGZPJMESA-N -1 3 423.904 4.102 20 30 HIEDHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c2ccccn2)cc1 ZINC000443124666 867831531 /nfs/dbraw/zinc/83/15/31/867831531.db2.gz STYAGSBMFMYTLU-HXUWFJFHSA-N -1 3 411.914 4.177 20 30 HIEDHM N#Cc1cc(F)c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c(F)c1 ZINC000445744383 869795436 /nfs/dbraw/zinc/79/54/36/869795436.db2.gz OUHBYCLQEBGHLB-UHFFFAOYSA-N -1 3 407.332 4.228 20 30 HIEDHM Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000448179349 872056731 /nfs/dbraw/zinc/05/67/31/872056731.db2.gz PLLOLYIRUPDRAH-IRLDBZIGSA-N -1 3 407.514 4.023 20 30 HIEDHM N#CC(=C([O-])c1cc2c(c(Br)c1)OCO2)c1cc(C(F)(F)F)ccn1 ZINC000464418065 877625115 /nfs/dbraw/zinc/62/51/15/877625115.db2.gz QNFIWNFSSXWAPN-SNVBAGLBSA-N -1 3 413.149 4.082 20 30 HIEDHM CCOC(=O)c1cc2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc2[nH]1 ZINC000464428922 877640478 /nfs/dbraw/zinc/64/04/78/877640478.db2.gz URJHZUSSXLGJMC-CQSZACIVSA-N -1 3 401.344 4.248 20 30 HIEDHM CC(C)(C)C(=O)NCc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464464628 877686463 /nfs/dbraw/zinc/68/64/63/877686463.db2.gz DZIHEJVFQWYSFA-INIZCTEOSA-N -1 3 403.404 4.253 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2[C@]1(C)C(F)(F)F ZINC000466790745 880570369 /nfs/dbraw/zinc/57/03/69/880570369.db2.gz NLPAJPGAQPPQBJ-OAQYLSRUSA-N -1 3 417.431 4.071 20 30 HIEDHM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000467189081 880915959 /nfs/dbraw/zinc/91/59/59/880915959.db2.gz CVLTVGNENOSDKJ-CQSZACIVSA-N -1 3 400.360 4.093 20 30 HIEDHM C=CCN(CC(F)(F)F)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469633117 883841785 /nfs/dbraw/zinc/84/17/85/883841785.db2.gz MSWNHMVZQYIXSW-UHFFFAOYSA-N -1 3 423.616 4.135 20 30 HIEDHM CC(C)(C)CN(CCC#N)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000469664155 883857119 /nfs/dbraw/zinc/85/71/19/883857119.db2.gz YTEFMPNOORPLDP-UHFFFAOYSA-N -1 3 424.726 4.346 20 30 HIEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000469698419 883877414 /nfs/dbraw/zinc/87/74/14/883877414.db2.gz DOIKPRISFBQOGV-MLCYQJTMSA-N -1 3 422.710 4.146 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000470666564 885093302 /nfs/dbraw/zinc/09/33/02/885093302.db2.gz GTRRLWSAJRDQJJ-UHFFFAOYSA-N -1 3 423.513 4.121 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c(Cl)c1 ZINC000504037092 912943031 /nfs/dbraw/zinc/94/30/31/912943031.db2.gz UBFKKXPOMHDKPP-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472284980 887104184 /nfs/dbraw/zinc/10/41/84/887104184.db2.gz NKIZHYZDBAXYOG-JOCHJYFZSA-N -1 3 420.900 4.163 20 30 HIEDHM C[C@H](Sc1nnc(CC#N)n1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000477041564 891966097 /nfs/dbraw/zinc/96/60/97/891966097.db2.gz FUHHNTUZNVITAA-VIFPVBQESA-N -1 3 414.541 4.173 20 30 HIEDHM CCOc1cc(Br)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000478426851 893724047 /nfs/dbraw/zinc/72/40/47/893724047.db2.gz KSOSAAWXHQWNIT-UHFFFAOYSA-N -1 3 418.291 4.008 20 30 HIEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000480909852 896265874 /nfs/dbraw/zinc/26/58/74/896265874.db2.gz HJEWUCQBQMLICV-MRXNPFEDSA-N -1 3 416.462 4.149 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c(C(F)(F)F)c1 ZINC000484787694 900194782 /nfs/dbraw/zinc/19/47/82/900194782.db2.gz QHBYMFHHBNBRBW-VXGBXAGGSA-N -1 3 414.371 4.224 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485551394 900825974 /nfs/dbraw/zinc/82/59/74/900825974.db2.gz VKBAQXZMEPGPSF-MZYLBHOOSA-N -1 3 403.526 4.393 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000488236529 902712561 /nfs/dbraw/zinc/71/25/61/902712561.db2.gz QVDPBHXKCHOEGB-QFIPXVFZSA-N -1 3 413.521 4.351 20 30 HIEDHM O=C(Cn1ccc(C(F)(F)F)n1)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000509179728 917890629 /nfs/dbraw/zinc/89/06/29/917890629.db2.gz QQEZGRWLRXYHLI-GFCCVEGCSA-N -1 3 403.685 4.114 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3OC)cc2)c(C)c1 ZINC000509600553 918250118 /nfs/dbraw/zinc/25/01/18/918250118.db2.gz JFAZWFFAPBDATM-UHFFFAOYSA-N -1 3 424.478 4.477 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2C)cc1OC ZINC000511733202 920400724 /nfs/dbraw/zinc/40/07/24/920400724.db2.gz DYGKAFMMGSJJSR-UHFFFAOYSA-N -1 3 424.478 4.477 20 30 HIEDHM C[C@@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F)C(F)(F)F ZINC000511737995 920411018 /nfs/dbraw/zinc/41/10/18/920411018.db2.gz ZGTAFJJWYYUGTH-ZCFIWIBFSA-N -1 3 424.313 4.068 20 30 HIEDHM N#CC(=C([O-])c1cn2ccc(Br)cc2n1)c1ccc(C(F)(F)F)cn1 ZINC000513733363 922054416 /nfs/dbraw/zinc/05/44/16/922054416.db2.gz QURIPFJSDCEPII-NSHDSACASA-N -1 3 409.165 4.001 20 30 HIEDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCc4cccc(C#N)c4)cc3)ccc2O1 ZINC000518493700 927306765 /nfs/dbraw/zinc/30/67/65/927306765.db2.gz OUXVJNZOTSDASI-INIZCTEOSA-N -1 3 420.490 4.261 20 30 HIEDHM CN(C(=O)c1ccco1)c1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000518673092 927420589 /nfs/dbraw/zinc/42/05/89/927420589.db2.gz MZNURWJMKMMBOU-HNNXBMFYSA-N -1 3 413.355 4.460 20 30 HIEDHM CC(=O)Nc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cs1 ZINC000525118871 930047623 /nfs/dbraw/zinc/04/76/23/930047623.db2.gz DTRWPKNZBSJDES-LLVKDONJSA-N -1 3 402.545 4.438 20 30 HIEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c2=O ZINC000532022885 931288168 /nfs/dbraw/zinc/28/81/68/931288168.db2.gz JXYMMPQQMHGHBF-UHFFFAOYSA-N -1 3 419.334 4.041 20 30 HIEDHM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000535857860 933440680 /nfs/dbraw/zinc/44/06/80/933440680.db2.gz YDMUCUSRKKGACP-UHFFFAOYSA-N -1 3 421.266 4.081 20 30 HIEDHM C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000538333887 938595944 /nfs/dbraw/zinc/59/59/44/938595944.db2.gz MLIADIVFNIBVMD-INIZCTEOSA-N -1 3 404.507 4.410 20 30 HIEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000538848830 938724710 /nfs/dbraw/zinc/72/47/10/938724710.db2.gz SNWVRWZSDVCFQL-AWEZNQCLSA-N -1 3 424.322 4.147 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000554986915 942343886 /nfs/dbraw/zinc/34/38/86/942343886.db2.gz IVBWPBOVFYFLOW-HXUWFJFHSA-N -1 3 417.431 4.495 20 30 HIEDHM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc(Cl)c1Br ZINC000556569175 942901714 /nfs/dbraw/zinc/90/17/14/942901714.db2.gz FRIBDTFAVQRIAQ-LBPRGKRZSA-N -1 3 407.699 4.219 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2(c3ccccc3F)CCCC2)no1 ZINC000559988033 944113939 /nfs/dbraw/zinc/11/39/39/944113939.db2.gz VLBVTDPQAUHLDY-UHFFFAOYSA-N -1 3 406.461 4.443 20 30 HIEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)cc1F ZINC000562237157 945036167 /nfs/dbraw/zinc/03/61/67/945036167.db2.gz VRYRWBULGUFOMJ-UHFFFAOYSA-N -1 3 403.660 4.055 20 30 HIEDHM N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000436945680 862122958 /nfs/dbraw/zinc/12/29/58/862122958.db2.gz BITUQBHEVZFMMK-UHFFFAOYSA-N -1 3 417.440 4.158 20 30 HIEDHM C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436953620 862132816 /nfs/dbraw/zinc/13/28/16/862132816.db2.gz ANRQMAMLWXQLSV-UHFFFAOYSA-N -1 3 407.514 4.234 20 30 HIEDHM C=CCOc1c(Br)cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000426712236 856428652 /nfs/dbraw/zinc/42/86/52/856428652.db2.gz VENGEJAWYUHARB-GOSISDBHSA-N -1 3 420.303 4.246 20 30 HIEDHM N#CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000426794496 856482414 /nfs/dbraw/zinc/48/24/14/856482414.db2.gz RXKPWKYHGUNXJZ-GOSISDBHSA-N -1 3 403.276 4.047 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(NC(=O)c4ccc(F)cc4)c3)nc1-2 ZINC000429570847 857756469 /nfs/dbraw/zinc/75/64/69/857756469.db2.gz PWDCNBNODCYTFO-SFHVURJKSA-N -1 3 413.412 4.148 20 30 HIEDHM CCc1nc(COc2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2)no1 ZINC000430620130 858238465 /nfs/dbraw/zinc/23/84/65/858238465.db2.gz BTWBZRWWUSDTRA-OAHLLOKOSA-N -1 3 410.499 4.455 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000431448402 858620770 /nfs/dbraw/zinc/62/07/70/858620770.db2.gz YOTZZOFJFSFGKS-UHFFFAOYSA-N -1 3 419.529 4.038 20 30 HIEDHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000432058533 858956982 /nfs/dbraw/zinc/95/69/82/858956982.db2.gz AQKVKQBACMJLGX-UHFFFAOYSA-N -1 3 402.781 4.234 20 30 HIEDHM Cc1c(F)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Br ZINC000432646668 859271064 /nfs/dbraw/zinc/27/10/64/859271064.db2.gz ZNGRXKDCRGXMGB-UHFFFAOYSA-N -1 3 403.660 4.223 20 30 HIEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)sc1Cl)c1ccc(C#N)cc1 ZINC000433625629 859815730 /nfs/dbraw/zinc/81/57/30/859815730.db2.gz SBLJKLRYYZBNQA-MRVPVSSYSA-N -1 3 405.726 4.075 20 30 HIEDHM C[C@@H](SCC(=O)NC1(C#N)CCC1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000438873909 864365466 /nfs/dbraw/zinc/36/54/66/864365466.db2.gz LDQPMGNCHRSWJS-LLVKDONJSA-N -1 3 414.512 4.014 20 30 HIEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1cccc(C(F)(F)F)c1 ZINC000446764655 870678296 /nfs/dbraw/zinc/67/82/96/870678296.db2.gz KAICZMFMFADRKV-HNNXBMFYSA-N -1 3 406.788 4.182 20 30 HIEDHM CC(C)(OCC(=O)[N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000447549729 871428634 /nfs/dbraw/zinc/42/86/34/871428634.db2.gz MOLRSPKVZGVLSK-NSHDSACASA-N -1 3 409.273 4.365 20 30 HIEDHM C=CCCN(C)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000469895675 884085805 /nfs/dbraw/zinc/08/58/05/884085805.db2.gz GFDMQOUMKNRHLS-UHFFFAOYSA-N -1 3 400.544 4.369 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(F)cc2)c(Cl)c1 ZINC000503769821 912819046 /nfs/dbraw/zinc/81/90/46/912819046.db2.gz FXVKFCFNJDYRHD-AWEZNQCLSA-N -1 3 406.788 4.323 20 30 HIEDHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1 ZINC000470595372 885016984 /nfs/dbraw/zinc/01/69/84/885016984.db2.gz UJVVOFTUQOZTSE-UHFFFAOYSA-N -1 3 424.501 4.169 20 30 HIEDHM N#CCCCN1C(=O)CCc2cc(NC(=O)CCCc3ccc([O-])c(F)c3)ccc21 ZINC000470853677 885350228 /nfs/dbraw/zinc/35/02/28/885350228.db2.gz FXYUBGLYPCMZCD-UHFFFAOYSA-N -1 3 409.461 4.076 20 30 HIEDHM O=C([N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471144521 885688912 /nfs/dbraw/zinc/68/89/12/885688912.db2.gz SAHJDDYWJHVHEU-JOYOIKCWSA-N -1 3 406.729 4.083 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000472284982 887103745 /nfs/dbraw/zinc/10/37/45/887103745.db2.gz NKIZHYZDBAXYOG-QFIPXVFZSA-N -1 3 420.900 4.163 20 30 HIEDHM C=C(C)COCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000474792031 889648433 /nfs/dbraw/zinc/64/84/33/889648433.db2.gz QSAURCLRBGQENL-UHFFFAOYSA-N -1 3 419.503 4.017 20 30 HIEDHM Cc1cc(F)c(Br)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000475101615 889948738 /nfs/dbraw/zinc/94/87/38/889948738.db2.gz UFYBGYVUHCRRSM-UHFFFAOYSA-N -1 3 406.255 4.057 20 30 HIEDHM COC(=O)c1ccc([C@H]([N-]C(=O)c2cc(F)c(F)c(F)c2F)C(F)(F)F)cc1 ZINC000479122552 894390833 /nfs/dbraw/zinc/39/08/33/894390833.db2.gz WFVNLKCQZBUJRV-AWEZNQCLSA-N -1 3 409.257 4.063 20 30 HIEDHM O=S(=O)([N-]Cc1c(F)cccc1OC(F)F)c1ccc(F)cc1C(F)(F)F ZINC000480958630 896299689 /nfs/dbraw/zinc/29/96/89/896299689.db2.gz WZENMMJDAUECFP-UHFFFAOYSA-N -1 3 417.302 4.064 20 30 HIEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)NCCCCC#N)ccc2C)c(C)c1 ZINC000505526019 914218558 /nfs/dbraw/zinc/21/85/58/914218558.db2.gz LEJBMQQUMNGDRH-UHFFFAOYSA-N -1 3 413.543 4.145 20 30 HIEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)c2)n1 ZINC000485791786 901044228 /nfs/dbraw/zinc/04/42/28/901044228.db2.gz VXNWMNGHAFZRTM-JOCHJYFZSA-N -1 3 416.481 4.325 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(Br)c2C)no1 ZINC000485854230 901097466 /nfs/dbraw/zinc/09/74/66/901097466.db2.gz VSJUKGWFBMGEST-UHFFFAOYSA-N -1 3 413.275 4.182 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000488236528 902712789 /nfs/dbraw/zinc/71/27/89/902712789.db2.gz QVDPBHXKCHOEGB-JOCHJYFZSA-N -1 3 413.521 4.351 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(OCc2ccccc2)cc1 ZINC000494360662 905662350 /nfs/dbraw/zinc/66/23/50/905662350.db2.gz SGFLTQHNKFFZLV-UHFFFAOYSA-N -1 3 415.493 4.104 20 30 HIEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000494429119 905716307 /nfs/dbraw/zinc/71/63/07/905716307.db2.gz IDGXMXXYFOMPHG-UHFFFAOYSA-N -1 3 417.506 4.028 20 30 HIEDHM CCOC(=O)c1c2ccccc2sc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000506765354 915469227 /nfs/dbraw/zinc/46/92/27/915469227.db2.gz XPEMAJOADZDLHC-UHFFFAOYSA-N -1 3 423.494 4.238 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000513423703 921793886 /nfs/dbraw/zinc/79/38/86/921793886.db2.gz OOXXHOVNVSZQQY-IBGZPJMESA-N -1 3 415.440 4.004 20 30 HIEDHM C=C(C)CCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2C)n1 ZINC000508647366 917412300 /nfs/dbraw/zinc/41/23/00/917412300.db2.gz XLSTXCVQUYJBCF-UHFFFAOYSA-N -1 3 413.499 4.363 20 30 HIEDHM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3nc4ccccc4n3C)c12 ZINC000513672227 921995049 /nfs/dbraw/zinc/99/50/49/921995049.db2.gz PUECRSPMMKYYBH-SFHVURJKSA-N -1 3 420.476 4.321 20 30 HIEDHM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000513957625 922276391 /nfs/dbraw/zinc/27/63/91/922276391.db2.gz BPCXDQPVQNLQCR-UHFFFAOYSA-N -1 3 424.266 4.139 20 30 HIEDHM COc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)c([N+](=O)[O-])cc1OC ZINC000515677744 923263502 /nfs/dbraw/zinc/26/35/02/923263502.db2.gz WLLUVWZFKIBEMH-UHFFFAOYSA-N -1 3 415.471 4.456 20 30 HIEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4cccn4)cc3)n2)cc1 ZINC000516270357 923638441 /nfs/dbraw/zinc/63/84/41/923638441.db2.gz UUDYTEWWTUKGDF-IBGZPJMESA-N -1 3 400.463 4.494 20 30 HIEDHM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000527190072 930609427 /nfs/dbraw/zinc/60/94/27/930609427.db2.gz AMODOFCNQIUVRK-NRFANRHFSA-N -1 3 405.885 4.221 20 30 HIEDHM N#Cc1ccccc1Oc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1Cl ZINC000535648780 933289662 /nfs/dbraw/zinc/28/96/62/933289662.db2.gz QCJWSALBJLFUFA-UHFFFAOYSA-N -1 3 407.739 4.393 20 30 HIEDHM N#Cc1ccccc1Oc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000535648780 933289674 /nfs/dbraw/zinc/28/96/74/933289674.db2.gz QCJWSALBJLFUFA-UHFFFAOYSA-N -1 3 407.739 4.393 20 30 HIEDHM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000552875567 941796237 /nfs/dbraw/zinc/79/62/37/941796237.db2.gz BAQPLSLJZWFIDK-YCRPNKLZSA-N -1 3 407.514 4.217 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000553760382 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000437941353 863316560 /nfs/dbraw/zinc/31/65/60/863316560.db2.gz JLDFGNZCTNGRSA-UHFFFAOYSA-N -1 3 404.297 4.100 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC(c2ccc(F)c(Cl)c2)C1 ZINC000467872410 881731730 /nfs/dbraw/zinc/73/17/30/881731730.db2.gz TWQANOBVZWDIAW-UHFFFAOYSA-N -1 3 401.869 4.063 20 30 HIEDHM CCCc1c([N-]S(=O)(=O)C[C@H](C)c2ccccc2)cnn1-c1cccc(C#N)c1 ZINC000438830438 864324389 /nfs/dbraw/zinc/32/43/89/864324389.db2.gz OCOSOVNWGLLSRC-KRWDZBQOSA-N -1 3 408.527 4.242 20 30 HIEDHM CSc1nn(-c2ccccc2)c([N-]C(=O)c2c(F)c(F)cc(F)c2F)c1C#N ZINC000445566478 869624747 /nfs/dbraw/zinc/62/47/47/869624747.db2.gz YHRMXSSKFVKJLV-UHFFFAOYSA-N -1 3 406.364 4.275 20 30 HIEDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000460833157 873721005 /nfs/dbraw/zinc/72/10/05/873721005.db2.gz PCYSBFMCMUXGPH-UHFFFAOYSA-N -1 3 421.478 4.134 20 30 HIEDHM C[C@@H](c1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1)c1cccc(C#N)c1 ZINC000463056133 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KBBWKYCBHICIIL-UHFFFAOYSA-N -1 3 404.297 4.321 20 30 HIEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000476515304 891429669 /nfs/dbraw/zinc/42/96/69/891429669.db2.gz XNKMWDAPMVQYBX-CQSZACIVSA-N -1 3 406.788 4.323 20 30 HIEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000479120168 894389218 /nfs/dbraw/zinc/38/92/18/894389218.db2.gz URQMHEAZFSVGFS-HNNXBMFYSA-N -1 3 422.350 4.353 20 30 HIEDHM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000480102670 895470696 /nfs/dbraw/zinc/47/06/96/895470696.db2.gz HDNUCRLREANEGP-UHFFFAOYSA-N -1 3 408.502 4.140 20 30 HIEDHM N#Cc1cc(Cl)ccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000480580878 895941557 /nfs/dbraw/zinc/94/15/57/895941557.db2.gz NYIUDTGTJISOMU-UHFFFAOYSA-N -1 3 404.297 4.421 20 30 HIEDHM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480833575 896206897 /nfs/dbraw/zinc/20/68/97/896206897.db2.gz YZANURUIJGVVKP-UHFFFAOYSA-N -1 3 416.363 4.118 20 30 HIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccnc1OCc1ccccc1F ZINC000482575432 898170420 /nfs/dbraw/zinc/17/04/20/898170420.db2.gz GMRKUSWVTVKSHS-KRWDZBQOSA-N -1 3 400.413 4.176 20 30 HIEDHM Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000485875223 901112770 /nfs/dbraw/zinc/11/27/70/901112770.db2.gz LNWFNXQMIZSFSQ-UHFFFAOYSA-N -1 3 423.904 4.303 20 30 HIEDHM N#Cc1ccccc1COc1cccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000485978753 901197244 /nfs/dbraw/zinc/19/72/44/901197244.db2.gz OXSBMAYMTOQEAK-HJWRWDBZSA-N -1 3 406.445 4.453 20 30 HIEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486425637 901583943 /nfs/dbraw/zinc/58/39/43/901583943.db2.gz BWPVPHICRVPBQE-UHFFFAOYSA-N -1 3 402.292 4.148 20 30 HIEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1nc(C(F)(F)F)cs1 ZINC000486832266 901882749 /nfs/dbraw/zinc/88/27/49/901882749.db2.gz GPNWUWJTRRHELN-LURJTMIESA-N -1 3 422.347 4.359 20 30 HIEDHM O=S(=O)([N-]Cc1ccccc1OC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000488975300 903102138 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Cn1c(C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2-n2cccc2)nc2ccccc21 ZINC000513661394 921984839 /nfs/dbraw/zinc/98/48/39/921984839.db2.gz RYZJSRQMKZDMHT-MRXNPFEDSA-N -1 3 424.439 4.179 20 30 HIEDHM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc(OC)c1C ZINC000516713680 923858570 /nfs/dbraw/zinc/85/85/70/923858570.db2.gz GYNLVDIHJWNHBJ-KRWDZBQOSA-N -1 3 403.463 4.497 20 30 HIEDHM C=C(C)[C@@H](CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)OCC ZINC000535125525 932942546 /nfs/dbraw/zinc/94/25/46/932942546.db2.gz LWKRMHJYCYXHJH-HXUWFJFHSA-N -1 3 402.516 4.106 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1ccccc1Br ZINC000536066173 933617347 /nfs/dbraw/zinc/61/73/47/933617347.db2.gz ZHOVVRQRIBHVOH-UHFFFAOYSA-N -1 3 416.319 4.022 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(Br)c1Cl ZINC000563470667 945194559 /nfs/dbraw/zinc/19/45/59/945194559.db2.gz FFRYDZOXHUZJSX-UHFFFAOYSA-N -1 3 408.683 4.263 20 30 HIEDHM COCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000539174629 938815782 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1nc2ccc(Cl)cc2s1 ZINC000436444455 861804892 /nfs/dbraw/zinc/80/48/92/861804892.db2.gz OEUNEUSVDMASQF-UHFFFAOYSA-N -1 3 400.891 4.134 20 30 HIEDHM N#CC(=C([O-])c1cnn(Cc2ccccc2Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000041553680 848230981 /nfs/dbraw/zinc/23/09/81/848230981.db2.gz DUMSVOPINXJILQ-OAHLLOKOSA-N -1 3 404.779 4.489 20 30 HIEDHM CN(C(=O)C1CC1)c1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000051656085 849498917 /nfs/dbraw/zinc/49/89/17/849498917.db2.gz KBQOBECKOGUVIB-HNNXBMFYSA-N -1 3 408.408 4.294 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000055506295 850043000 /nfs/dbraw/zinc/04/30/00/850043000.db2.gz GXFOZTMLOQUWKZ-UHFFFAOYSA-N -1 3 413.905 4.410 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000055800947 850156532 /nfs/dbraw/zinc/15/65/32/850156532.db2.gz OTGYMSGFJPYSNH-UHFFFAOYSA-N -1 3 418.324 4.294 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N(C)Cc2ccccc2)cc1 ZINC000055866913 850184739 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417.227 4.279 20 30 HIEDHM C=CCOc1ccc(C=C(Cl)c2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)cc1 ZINC000229927302 853893292 /nfs/dbraw/zinc/89/32/92/853893292.db2.gz MGQUWZPIGXKTAS-GXDHUFHOSA-N -1 3 416.886 4.381 20 30 HIEDHM N#Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c2ccccc2n1 ZINC000301352191 854368309 /nfs/dbraw/zinc/36/83/09/854368309.db2.gz JEMGHSWNLSRWJI-UHFFFAOYSA-N -1 3 406.873 4.321 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000303551307 855035474 /nfs/dbraw/zinc/03/54/74/855035474.db2.gz VZSQMFGPFNNVJF-UHFFFAOYSA-N -1 3 420.488 4.235 20 30 HIEDHM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ccc1OC ZINC000426806991 856489320 /nfs/dbraw/zinc/48/93/20/856489320.db2.gz LRCBSNLXRILOAH-IBGZPJMESA-N -1 3 420.303 4.328 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440010060 865308697 /nfs/dbraw/zinc/30/86/97/865308697.db2.gz NSDAROWANSHZPK-RUZDIDTESA-N -1 3 403.526 4.105 20 30 HIEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nc(C(C)(C)C)cs1 ZINC000443087241 867816428 /nfs/dbraw/zinc/81/64/28/867816428.db2.gz QUDJGLMIDFSKBZ-JTQLQIEISA-N -1 3 417.478 4.371 20 30 HIEDHM N#CCCCn1cc(C(=O)NCc2ccc([O-])c(Br)c2)c2ccccc21 ZINC000444334239 868759873 /nfs/dbraw/zinc/75/98/73/868759873.db2.gz AQBFLMXNFRORFH-UHFFFAOYSA-N -1 3 412.287 4.343 20 30 HIEDHM N#Cc1cccc(COc2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2Cl)c1 ZINC000445189670 869266538 /nfs/dbraw/zinc/26/65/38/869266538.db2.gz SWLOQFKGBWQDPD-UHFFFAOYSA-N -1 3 424.800 4.052 20 30 HIEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000468363558 882305922 /nfs/dbraw/zinc/30/59/22/882305922.db2.gz FMARKAZBALZACQ-LLVKDONJSA-N -1 3 415.298 4.080 20 30 HIEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2F)c(F)c1 ZINC000445530037 869586648 /nfs/dbraw/zinc/58/66/48/869586648.db2.gz YUNCMBHAVAVICF-UHFFFAOYSA-N -1 3 411.387 4.213 20 30 HIEDHM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc(OC(F)F)c(F)c1 ZINC000447796514 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LUMCUFBCAAOROJ-BQYQJAHWSA-N -1 3 406.445 4.453 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000487141585 902070689 /nfs/dbraw/zinc/07/06/89/902070689.db2.gz VSENLQAOZQZVSF-UHFFFAOYSA-N -1 3 406.417 4.173 20 30 HIEDHM C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000489711231 903554705 /nfs/dbraw/zinc/55/47/05/903554705.db2.gz FSPHEKUUBGXUDE-UHFFFAOYSA-N -1 3 416.543 4.137 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000492349829 904836938 /nfs/dbraw/zinc/83/69/38/904836938.db2.gz HKLTZRRZZHDJFW-QGZVFWFLSA-N -1 3 403.404 4.291 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2oc(C(F)(F)F)nc21 ZINC000494702723 905910053 /nfs/dbraw/zinc/91/00/53/905910053.db2.gz LOKJJWIMVJSWMZ-UHFFFAOYSA-N -1 3 404.348 4.007 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(C(F)(F)F)ccc21 ZINC000498537151 908006196 /nfs/dbraw/zinc/00/61/96/908006196.db2.gz PCMAUWHAMGDVLV-UHFFFAOYSA-N -1 3 403.404 4.207 20 30 HIEDHM COc1ccc(-c2ccc(C)c(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2)cn1 ZINC000512941634 921428910 /nfs/dbraw/zinc/42/89/10/921428910.db2.gz SUSWUCZTYBHHOH-UHFFFAOYSA-N -1 3 416.481 4.226 20 30 HIEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(Br)cc1 ZINC000513572335 921904767 /nfs/dbraw/zinc/90/47/67/921904767.db2.gz OIGWHBZKGWALFE-UHFFFAOYSA-N -1 3 402.292 4.024 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 ZINC000513975753 922295342 /nfs/dbraw/zinc/29/53/42/922295342.db2.gz JZDKLWSVEMSHKS-UHFFFAOYSA-N -1 3 422.872 4.060 20 30 HIEDHM C=C1CCN(Cc2nc(=O)c3c(C)c(C(=O)Nc4ccc(C)cc4C)sc3[n-]2)CC1 ZINC000532958230 931713061 /nfs/dbraw/zinc/71/30/61/931713061.db2.gz JFQDEGMHAUWJEW-UHFFFAOYSA-N -1 3 422.554 4.314 20 30 HIEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000536125070 933674972 /nfs/dbraw/zinc/67/49/72/933674972.db2.gz CUOAMRFRDCGVHD-HNNXBMFYSA-N -1 3 412.364 4.442 20 30 HIEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)F)cn1)c1nc2ccccc2n1C(F)F ZINC000562494561 945091183 /nfs/dbraw/zinc/09/11/83/945091183.db2.gz TZHHVJNVAKYBGK-LLVKDONJSA-N -1 3 410.302 4.258 20 30 HIEDHM C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000540532088 939292911 /nfs/dbraw/zinc/29/29/11/939292911.db2.gz LKUQXRATOFOUEC-QGZVFWFLSA-N -1 3 416.543 4.279 20 30 HIEDHM N#CC1(c2ccccn2)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000548798765 941124557 /nfs/dbraw/zinc/12/45/57/941124557.db2.gz ZPYNORVXDSTHGE-UHFFFAOYSA-N -1 3 417.494 4.109 20 30 HIEDHM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000552875566 941796046 /nfs/dbraw/zinc/79/60/46/941796046.db2.gz BAQPLSLJZWFIDK-VFNWGFHPSA-N -1 3 407.514 4.217 20 30 HIEDHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000556378015 942852374 /nfs/dbraw/zinc/85/23/74/942852374.db2.gz RQWMMEWAFUPISL-UHFFFAOYSA-N -1 3 423.469 4.367 20 30 HIEDHM CC(C)(c1nnc([N-]C(=O)c2cnc(C(F)(F)F)c(C#N)c2)s1)c1ccccc1 ZINC000559616980 944017441 /nfs/dbraw/zinc/01/74/41/944017441.db2.gz LHQQOJHREHPCSV-UHFFFAOYSA-N -1 3 417.416 4.402 20 30 HIEDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000001004999 845000881 /nfs/dbraw/zinc/00/08/81/845000881.db2.gz BFLIQEDDCLGMFP-UHFFFAOYSA-N -1 3 423.450 4.330 20 30 HIEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000017187993 846236228 /nfs/dbraw/zinc/23/62/28/846236228.db2.gz BKDNWICXLSFKPS-LBPRGKRZSA-N -1 3 422.466 4.083 20 30 HIEDHM C=CCOc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1OC ZINC000025991534 847069273 /nfs/dbraw/zinc/06/92/73/847069273.db2.gz BOQAJGIOOWMNGF-GFCCVEGCSA-N -1 3 414.483 4.093 20 30 HIEDHM C=C(C)CN(CC)C(=O)CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000028660726 847441796 /nfs/dbraw/zinc/44/17/96/847441796.db2.gz CUTKIDAPAPVUDE-CYBMUJFWSA-N -1 3 417.556 4.463 20 30 HIEDHM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)c12 ZINC000041494932 848221414 /nfs/dbraw/zinc/22/14/14/848221414.db2.gz IAQZYTGADRQFRL-KRWDZBQOSA-N -1 3 406.449 4.310 20 30 HIEDHM C=CCn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1ccccc1C ZINC000436723748 861910591 /nfs/dbraw/zinc/91/05/91/861910591.db2.gz VYXCOASVDUWABC-UHFFFAOYSA-N -1 3 405.483 4.487 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000046371919 848835284 /nfs/dbraw/zinc/83/52/84/848835284.db2.gz PEOFDQYVAXVUBM-HSZRJFAPSA-N -1 3 419.912 4.355 20 30 HIEDHM CCOc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc(Br)c1[O-] ZINC000048417711 849219104 /nfs/dbraw/zinc/21/91/04/849219104.db2.gz LWVQRSCRNQAYLD-BQYQJAHWSA-N -1 3 404.260 4.408 20 30 HIEDHM CCOc1cc(/C=C/C(=O)c2ccc(OCCOC)cc2)cc(Br)c1[O-] ZINC000059270473 850990155 /nfs/dbraw/zinc/99/01/55/850990155.db2.gz SNMFUIGWDCFRBD-RUDMXATFSA-N -1 3 421.287 4.475 20 30 HIEDHM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccc1OC ZINC000426806992 856489386 /nfs/dbraw/zinc/48/93/86/856489386.db2.gz LRCBSNLXRILOAH-LJQANCHMSA-N -1 3 420.303 4.328 20 30 HIEDHM CCCOc1cccnc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000428320162 857151559 /nfs/dbraw/zinc/15/15/59/857151559.db2.gz RUFXLSSVCCNZBG-UHFFFAOYSA-N -1 3 411.512 4.138 20 30 HIEDHM N#CCCn1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1-c1ccccc1 ZINC000430295931 858112817 /nfs/dbraw/zinc/11/28/17/858112817.db2.gz CALZWSLOLFSLCU-UHFFFAOYSA-N -1 3 400.360 4.440 20 30 HIEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000432775787 859354365 /nfs/dbraw/zinc/35/43/65/859354365.db2.gz KBWSECUAIXNDFL-UHFFFAOYSA-N -1 3 417.531 4.235 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000434239207 860221874 /nfs/dbraw/zinc/22/18/74/860221874.db2.gz HZICTYVDPFBGNP-UHFFFAOYSA-N -1 3 413.468 4.458 20 30 HIEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(O[C@H]4CCOC4)cc3)n2)cc1 ZINC000434622085 860435402 /nfs/dbraw/zinc/43/54/02/860435402.db2.gz AIBBWFKRUDVOTN-PMACEKPBSA-N -1 3 420.490 4.476 20 30 HIEDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443361050 867927257 /nfs/dbraw/zinc/92/72/57/867927257.db2.gz MOQFLJFWDGSKIV-UHFFFAOYSA-N -1 3 420.332 4.030 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C2CC2)nc2ccc(Cl)cc21 ZINC000446736732 870644773 /nfs/dbraw/zinc/64/47/73/870644773.db2.gz WRVDLUXIZUHJKQ-UHFFFAOYSA-N -1 3 420.900 4.348 20 30 HIEDHM CC(C)(OCC(=O)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000447542918 871408375 /nfs/dbraw/zinc/40/83/75/871408375.db2.gz KLZRTQOGJSRVFT-LLVKDONJSA-N -1 3 409.273 4.365 20 30 HIEDHM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1 ZINC000460831230 873719051 /nfs/dbraw/zinc/71/90/51/873719051.db2.gz RQVQGSRWHWRKSV-UHFFFAOYSA-N -1 3 421.478 4.134 20 30 HIEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464463242 877684737 /nfs/dbraw/zinc/68/47/37/877684737.db2.gz FHTOIBWOLKBWRD-QGZVFWFLSA-N -1 3 422.428 4.307 20 30 HIEDHM N#CC(=C([O-])c1cnc2c(cnn2Cc2ccccc2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464466361 877689130 /nfs/dbraw/zinc/68/91/30/877689130.db2.gz LIFHNFSUEFXRNI-SFHVURJKSA-N -1 3 421.382 4.383 20 30 HIEDHM Cn1c(C(C#N)=C([O-])c2c[nH]nc2-c2cccc(OC(F)F)c2)nc2ccccc21 ZINC000464510536 877733769 /nfs/dbraw/zinc/73/37/69/877733769.db2.gz LMZLLDMUCKWUCB-CQSZACIVSA-N -1 3 407.380 4.055 20 30 HIEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)ccc1Cl ZINC000466462932 880243724 /nfs/dbraw/zinc/24/37/24/880243724.db2.gz DUGAMMBFMKEYMJ-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM C=CCn1c(=O)[n-]nc1SCCCC(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000470834490 885324700 /nfs/dbraw/zinc/32/47/00/885324700.db2.gz CAKGVFDOZSCDQA-UHFFFAOYSA-N -1 3 408.955 4.459 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000474745835 889602330 /nfs/dbraw/zinc/60/23/30/889602330.db2.gz PRGCSLLOPRRNKO-INIZCTEOSA-N -1 3 400.482 4.148 20 30 HIEDHM CCc1cc(Br)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000478346027 893590246 /nfs/dbraw/zinc/59/02/46/893590246.db2.gz RCLGBRXKYMIMBV-UHFFFAOYSA-N -1 3 402.292 4.172 20 30 HIEDHM O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1ccc([O-])c(F)c1 ZINC000479158991 894429427 /nfs/dbraw/zinc/42/94/27/894429427.db2.gz GPQUZMUFVDDFKV-UHFFFAOYSA-N -1 3 411.273 4.264 20 30 HIEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(Br)ccc1Cl ZINC000479253878 894519383 /nfs/dbraw/zinc/51/93/83/894519383.db2.gz MVZGPDHGHOTPTP-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c1 ZINC000479524781 894833817 /nfs/dbraw/zinc/83/38/17/894833817.db2.gz IZEQLMMMTNFKAH-UHFFFAOYSA-N -1 3 407.623 4.053 20 30 HIEDHM N#Cc1cc(Cl)ccc1Oc1cccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000482238460 897720152 /nfs/dbraw/zinc/72/01/52/897720152.db2.gz LYZBGTJJPSFBNW-UHFFFAOYSA-N -1 3 421.766 4.071 20 30 HIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccnc1OCc1ccccc1F ZINC000482575433 898170076 /nfs/dbraw/zinc/17/00/76/898170076.db2.gz GMRKUSWVTVKSHS-QGZVFWFLSA-N -1 3 400.413 4.176 20 30 HIEDHM CCOC(=O)c1c(C(C)C)csc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000482830978 898440345 /nfs/dbraw/zinc/44/03/45/898440345.db2.gz WEGVVDSXVPGYIP-UHFFFAOYSA-N -1 3 415.515 4.209 20 30 HIEDHM C=CCC[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000483201006 898855832 /nfs/dbraw/zinc/85/58/32/898855832.db2.gz WHLKFHKRCVCIBX-LBPRGKRZSA-N -1 3 421.345 4.349 20 30 HIEDHM CCN(CC)S(=O)(=O)c1cc(C([O-])=C(C#N)c2nccc3ccccc32)ccc1C ZINC000483243666 898886522 /nfs/dbraw/zinc/88/65/22/898886522.db2.gz MALZVOCXKFEGFC-FQEVSTJZSA-N -1 3 421.522 4.064 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c(C(F)(F)F)c1 ZINC000485916129 901142530 /nfs/dbraw/zinc/14/25/30/901142530.db2.gz AEXBAFRFSCRLBY-AWEZNQCLSA-N -1 3 422.350 4.201 20 30 HIEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486654390 901775771 /nfs/dbraw/zinc/77/57/71/901775771.db2.gz ROEIEZKWHFRLGL-UHFFFAOYSA-N -1 3 416.319 4.394 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000492349828 904836679 /nfs/dbraw/zinc/83/66/79/904836679.db2.gz HKLTZRRZZHDJFW-KRWDZBQOSA-N -1 3 403.404 4.291 20 30 HIEDHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000498015604 907510011 /nfs/dbraw/zinc/51/00/11/907510011.db2.gz LQYQMTJRUAEBEM-UHFFFAOYSA-N -1 3 401.385 4.337 20 30 HIEDHM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000499210244 908565540 /nfs/dbraw/zinc/56/55/40/908565540.db2.gz JWHNEWUEZIHYDS-OAHLLOKOSA-N -1 3 408.412 4.322 20 30 HIEDHM N#CC(=C([O-])c1ccc(OC[C@@H]2CCCO2)cc1)c1nc(-c2ccncc2)cs1 ZINC000512973795 921447742 /nfs/dbraw/zinc/44/77/42/921447742.db2.gz BQWJJHQJPOZVDY-OALUTQOASA-N -1 3 405.479 4.253 20 30 HIEDHM N#C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCc2ccccc2C1 ZINC000508178714 916999428 /nfs/dbraw/zinc/99/94/28/916999428.db2.gz HIQLWECODYWXKG-QGZVFWFLSA-N -1 3 414.836 4.088 20 30 HIEDHM C[C@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F)C(F)(F)F ZINC000511737994 920411559 /nfs/dbraw/zinc/41/15/59/920411559.db2.gz ZGTAFJJWYYUGTH-LURJTMIESA-N -1 3 424.313 4.068 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCOc1ccccc1-c1ccccc1 ZINC000513477231 921835994 /nfs/dbraw/zinc/83/59/94/921835994.db2.gz 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000537903063 938406496 /nfs/dbraw/zinc/40/64/96/938406496.db2.gz GOAMVIAARYWOSV-UHFFFAOYSA-N -1 3 413.477 4.449 20 30 HIEDHM Cc1cccc(OCCCc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1C ZINC000544711294 940505633 /nfs/dbraw/zinc/50/56/33/940505633.db2.gz LAIKUCXVPXNZQK-UHFFFAOYSA-N -1 3 406.486 4.072 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccc(Cl)cc2Cl)no1 ZINC000545543216 940574131 /nfs/dbraw/zinc/57/41/31/940574131.db2.gz UXRPCVCLVFYDRF-UHFFFAOYSA-N -1 3 403.269 4.342 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([C@H](F)c2ccccc2F)CC1 ZINC000560721228 944309049 /nfs/dbraw/zinc/30/90/49/944309049.db2.gz GVXYNVSBMNIANA-QFIPXVFZSA-N -1 3 413.468 4.297 20 30 HIEDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000565395731 945825375 /nfs/dbraw/zinc/82/53/75/945825375.db2.gz YHBVTJHBLQKSHF-UHFFFAOYSA-N -1 3 409.467 4.335 20 30 HIEDHM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000573852932 948311404 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ZINC000468292281 882216780 /nfs/dbraw/zinc/21/67/80/882216780.db2.gz QMPLQTYDPSYUEX-UHFFFAOYSA-N -1 3 419.447 4.365 20 30 HIEDHM N#Cc1cccc(COc2ccc(-n3c([O-])c(CC(F)(F)F)[nH]c3=O)cc2Cl)c1 ZINC000445956532 869923345 /nfs/dbraw/zinc/92/33/45/869923345.db2.gz JISLMZRUOOXRSS-HNNXBMFYSA-N -1 3 423.778 4.168 20 30 HIEDHM N#C[C@H]1N(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCC[C@]12CCCCO2 ZINC000447919128 871813116 /nfs/dbraw/zinc/81/31/16/871813116.db2.gz UFFWXVAZUNQZHS-IIBYNOLFSA-N -1 3 410.499 4.084 20 30 HIEDHM Cc1ccc(C(=O)c2ccsc2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000448450815 872396063 /nfs/dbraw/zinc/39/60/63/872396063.db2.gz BQTNGRXSRCSFNZ-UHFFFAOYSA-N -1 3 419.506 4.448 20 30 HIEDHM N#CC(=C([O-])c1ccccc1COC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000464467177 877688461 /nfs/dbraw/zinc/68/84/61/877688461.db2.gz KAFXSOWNNDGXDB-SFHVURJKSA-N -1 3 404.388 4.286 20 30 HIEDHM Cc1cccc(C)c1OC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000465192453 878590417 /nfs/dbraw/zinc/59/04/17/878590417.db2.gz HPSLNKANBXBSOI-OAQYLSRUSA-N -1 3 423.557 4.435 20 30 HIEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000466744452 880526618 /nfs/dbraw/zinc/52/66/18/880526618.db2.gz DWCCKLKROPGIEV-INIZCTEOSA-N -1 3 402.516 4.345 20 30 HIEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C(F)(F)F)cs1 ZINC000466879204 880647216 /nfs/dbraw/zinc/64/72/16/880647216.db2.gz WUGMITDIJFGLEC-LLVKDONJSA-N -1 3 409.842 4.117 20 30 HIEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(S(=O)(=O)c4ccccc4)s3)nc21 ZINC000467427970 881219376 /nfs/dbraw/zinc/21/93/76/881219376.db2.gz NRQKZXHLZKCBLK-OAHLLOKOSA-N -1 3 421.503 4.256 20 30 HIEDHM C=CCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000469890516 884081266 /nfs/dbraw/zinc/08/12/66/884081266.db2.gz SCDNYJVMKKWDDH-UHFFFAOYSA-N -1 3 410.898 4.236 20 30 HIEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)oc1-c1ccc(Cl)cc1 ZINC000472297409 887118554 /nfs/dbraw/zinc/11/85/54/887118554.db2.gz HUVOUJJUXGHNME-UHFFFAOYSA-N -1 3 422.293 4.307 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000476325532 891232446 /nfs/dbraw/zinc/23/24/46/891232446.db2.gz YWYPXNZAHBDGCA-OAQYLSRUSA-N -1 3 406.530 4.166 20 30 HIEDHM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1F ZINC000478056838 893212214 /nfs/dbraw/zinc/21/22/14/893212214.db2.gz GXAMOHQDIXRCOX-UHFFFAOYSA-N -1 3 412.348 4.047 20 30 HIEDHM Cc1onc(-c2cccc(Cl)c2)c1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000480236554 895643564 /nfs/dbraw/zinc/64/35/64/895643564.db2.gz ZYRCXFSIIZJXOR-UHFFFAOYSA-N -1 3 418.844 4.067 20 30 HIEDHM Cn1cc(-c2ncc(C(=O)[N-]c3sc4c(c3C#N)-c3ccccc3CC4)s2)cn1 ZINC000482271457 897758208 /nfs/dbraw/zinc/75/82/08/897758208.db2.gz QJMXEPBXZZEACF-UHFFFAOYSA-N -1 3 417.519 4.495 20 30 HIEDHM CCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1ccc(Cl)cc1 ZINC000482706566 898305844 /nfs/dbraw/zinc/30/58/44/898305844.db2.gz LCDQZXRMWSHFJM-UHFFFAOYSA-N -1 3 423.904 4.249 20 30 HIEDHM Cc1cc(=O)c(C([O-])=C(C#N)c2nccc3ccccc32)nn1-c1cccc(Cl)c1 ZINC000483195391 898852196 /nfs/dbraw/zinc/85/21/96/898852196.db2.gz MABMHPYZQNGXFV-LJQANCHMSA-N -1 3 414.852 4.233 20 30 HIEDHM N#CC(=C([O-])c1csc(I)c1)c1nccc2ccccc21 ZINC000483205327 898858458 /nfs/dbraw/zinc/85/84/58/898858458.db2.gz SRYJLCVXGNVFBM-ZDUSSCGKSA-N -1 3 404.232 4.391 20 30 HIEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000486425809 901584362 /nfs/dbraw/zinc/58/43/62/901584362.db2.gz RVEXBNXROKRRKV-WMZOPIPTSA-N -1 3 414.303 4.136 20 30 HIEDHM N#CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000486463193 901623467 /nfs/dbraw/zinc/62/34/67/901623467.db2.gz CJUTUFZSSGKZOH-UHFFFAOYSA-N -1 3 412.298 4.427 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2cccc(F)c2F)nc1 ZINC000487147917 902075225 /nfs/dbraw/zinc/07/52/25/902075225.db2.gz KACSTWFIODDEML-UHFFFAOYSA-N -1 3 424.407 4.313 20 30 HIEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1nc(-c3cccc(C#N)c3)cs1)c2=O ZINC000506238367 914858176 /nfs/dbraw/zinc/85/81/76/914858176.db2.gz PNQZTHBOUQYGCM-UHFFFAOYSA-N 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CCCN(CCC)C(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000502536281 911542072 /nfs/dbraw/zinc/54/20/72/911542072.db2.gz UJPFGIOELRYCEZ-UHFFFAOYSA-N -1 3 422.529 4.109 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000509296021 917977267 /nfs/dbraw/zinc/97/72/67/917977267.db2.gz XXCCZMCZSNJJOE-QGZVFWFLSA-N -1 3 409.383 4.157 20 30 HIEDHM Cc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)c(=O)[n-]1 ZINC000510245779 918783435 /nfs/dbraw/zinc/78/34/35/918783435.db2.gz XIERBHYTFLVQIH-UHFFFAOYSA-N -1 3 402.454 4.343 20 30 HIEDHM CCn1ncc2c1nc(-c1ccccc1)cc2C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000513670972 921993356 /nfs/dbraw/zinc/99/33/56/921993356.db2.gz FEFZMEJKLJSMHV-GOSISDBHSA-N -1 3 420.476 4.495 20 30 HIEDHM COc1cc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)c([N+](=O)[O-])cc1OC ZINC000518239390 927100087 /nfs/dbraw/zinc/10/00/87/927100087.db2.gz AQLMUAIASVMZRA-GFCCVEGCSA-N -1 3 401.444 4.259 20 30 HIEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Br)ccc3[O-])cc2)nc1 ZINC000531492632 931077845 /nfs/dbraw/zinc/07/78/45/931077845.db2.gz FBUFNZXELLPAJL-UHFFFAOYSA-N -1 3 410.227 4.466 20 30 HIEDHM C=CCCOCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000535239389 933032591 /nfs/dbraw/zinc/03/25/91/933032591.db2.gz XMHMAYQYLRTQMR-UHFFFAOYSA-N -1 3 419.503 4.017 20 30 HIEDHM Cc1cccn2c(=O)c(C([O-])=C(C#N)c3nc(-c4ccc(Cl)cc4)cs3)cnc12 ZINC000538046122 938480677 /nfs/dbraw/zinc/48/06/77/938480677.db2.gz WLMYZYXMZIWFCX-HNNXBMFYSA-N -1 3 420.881 4.270 20 30 HIEDHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)cc1OC ZINC000540272991 939178964 /nfs/dbraw/zinc/17/89/64/939178964.db2.gz RXUWDXRNTFZYHS-UHFFFAOYSA-N -1 3 403.460 4.485 20 30 HIEDHM Cc1ncc(CNC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c(=O)[n-]1 ZINC000542365390 939808280 /nfs/dbraw/zinc/80/82/80/939808280.db2.gz YFBDGCDZRGTPIY-GOSISDBHSA-N -1 3 407.861 4.121 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(Oc3cccnc3)cc2)no1 ZINC000546390152 940808776 /nfs/dbraw/zinc/80/87/76/940808776.db2.gz YGEKLWAHBQRDKW-UHFFFAOYSA-N -1 3 413.437 4.298 20 30 HIEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3cc(Br)sc3Cl)CC2)c1 ZINC000551221954 941430406 /nfs/dbraw/zinc/43/04/06/941430406.db2.gz CQSLGJSHQFDDPH-UHFFFAOYSA-N -1 3 417.737 4.003 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000571174336 947534303 /nfs/dbraw/zinc/53/43/03/947534303.db2.gz OFTVVRBLXVZMOZ-UHFFFAOYSA-N -1 3 403.404 4.033 20 30 HIEDHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)cc(=O)[n-]1 ZINC000436146896 861444260 /nfs/dbraw/zinc/44/42/60/861444260.db2.gz BJDYQPRHSUMMTF-UNMCSNQZSA-N -1 3 413.481 4.461 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1n[nH]c(-c2cccc3ccccc32)n1 ZINC000047415598 849042911 /nfs/dbraw/zinc/04/29/11/849042911.db2.gz MKGRLKPJDHMPBS-UHFFFAOYSA-N -1 3 412.453 4.023 20 30 HIEDHM Cc1cccc(Oc2ncccc2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000055828132 850167993 /nfs/dbraw/zinc/16/79/93/850167993.db2.gz WOJOHZBTBDQVQF-UHFFFAOYSA-N -1 3 416.481 4.239 20 30 HIEDHM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000055927518 850208831 /nfs/dbraw/zinc/20/88/31/850208831.db2.gz XYHZNAMIBANDTP-UHFFFAOYSA-N -1 3 406.313 4.152 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(Oc2ccccc2)cc1 ZINC000063829660 851773757 /nfs/dbraw/zinc/77/37/57/851773757.db2.gz HXEZNWUBQMLZLC-UHFFFAOYSA-N -1 3 401.466 4.251 20 30 HIEDHM CCC(CC)(CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(Cl)cc1 ZINC000072071196 852496189 /nfs/dbraw/zinc/49/61/89/852496189.db2.gz SLDALNGEGZXAIZ-UHFFFAOYSA-N -1 3 413.949 4.324 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000072077902 852498144 /nfs/dbraw/zinc/49/81/44/852498144.db2.gz NNECPXWXVONNBU-NSHDSACASA-N -1 3 406.313 4.023 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 ZINC000105891535 852736443 /nfs/dbraw/zinc/73/64/43/852736443.db2.gz YCXZQQYSTFGTDC-LJQANCHMSA-N -1 3 413.521 4.133 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c(Cl)c1 ZINC000126606303 853371233 /nfs/dbraw/zinc/37/12/33/853371233.db2.gz CKVHNVPXEPPXKB-UHFFFAOYSA-N -1 3 406.088 4.428 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000302589004 854588026 /nfs/dbraw/zinc/58/80/26/854588026.db2.gz GVGNPMQNKXPOGI-UHFFFAOYSA-N -1 3 413.521 4.480 20 30 HIEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1NC(=O)C(C)(C)C ZINC000303575992 855051782 /nfs/dbraw/zinc/05/17/82/855051782.db2.gz ZIKLPEBCLIRKDX-UHFFFAOYSA-N -1 3 408.502 4.140 20 30 HIEDHM Cc1ncc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2Cl)cc1C#N ZINC000320317785 855388747 /nfs/dbraw/zinc/38/87/47/855388747.db2.gz GRJCMVJWHDZNFC-UHFFFAOYSA-N -1 3 421.103 4.132 20 30 HIEDHM COc1cc(Cl)c(Br)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000429112836 857515638 /nfs/dbraw/zinc/51/56/38/857515638.db2.gz IRDIQRMPSYTSLE-LLVKDONJSA-N -1 3 418.678 4.488 20 30 HIEDHM CCCc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnn1-c1ccccc1C ZINC000429280010 857589024 /nfs/dbraw/zinc/58/90/24/857589024.db2.gz WQAZUROTGCXUHD-UHFFFAOYSA-N -1 3 417.513 4.294 20 30 HIEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(COc4cccc(F)c4)c3)nc1-2 ZINC000429585292 857770622 /nfs/dbraw/zinc/77/06/22/857770622.db2.gz IYOJSZHMYPCNHX-IBGZPJMESA-N -1 3 400.413 4.475 20 30 HIEDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1sc2c(c1C#N)-c1ccccc1CC2 ZINC000437665414 863007317 /nfs/dbraw/zinc/00/73/17/863007317.db2.gz YWHMKNVJTRPXDF-UHFFFAOYSA-N -1 3 415.478 4.335 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000432715685 859314541 /nfs/dbraw/zinc/31/45/41/859314541.db2.gz GGHRLTYGQSODNB-UHFFFAOYSA-N -1 3 411.465 4.186 20 30 HIEDHM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4cncn4)cc3C)n2)cc1 ZINC000442867971 867704328 /nfs/dbraw/zinc/70/43/28/867704328.db2.gz BHNWOBYWBYKTKV-LJQANCHMSA-N -1 3 415.478 4.198 20 30 HIEDHM Cc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1N1CCCC1 ZINC000445819062 869841488 /nfs/dbraw/zinc/84/14/88/869841488.db2.gz ORANTOQRWORESA-UHFFFAOYSA-N -1 3 403.486 4.020 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 ZINC000446646934 870560059 /nfs/dbraw/zinc/56/00/59/870560059.db2.gz FRKRKQLKKVIVRH-HSZRJFAPSA-N -1 3 403.457 4.253 20 30 HIEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000447400196 871311624 /nfs/dbraw/zinc/31/16/24/871311624.db2.gz YYINFKQVOMSOGE-TZIWHRDSSA-N -1 3 414.527 4.024 20 30 HIEDHM CC(=O)Nc1ccc2nc([N-]C(=O)c3cc(-c4cccc(C#N)c4)no3)sc2c1 ZINC000447482693 871368562 /nfs/dbraw/zinc/36/85/62/871368562.db2.gz SAGCUUWQNFKZOW-UHFFFAOYSA-N -1 3 403.423 4.034 20 30 HIEDHM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1ccc(OC(F)F)c(F)c1 ZINC000447781811 871711079 /nfs/dbraw/zinc/71/10/79/871711079.db2.gz VVLKEJHWELCOAJ-UHFFFAOYSA-N -1 3 403.275 4.386 20 30 HIEDHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)nc1C(C)C ZINC000448193739 872076885 /nfs/dbraw/zinc/07/68/85/872076885.db2.gz NWBMIGHHHMNQDG-UHFFFAOYSA-N -1 3 410.455 4.222 20 30 HIEDHM Cc1nc(C)c(CCC(=O)N(Cc2ccc(Cl)cc2)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000460338812 872947992 /nfs/dbraw/zinc/94/79/92/872947992.db2.gz LETDRJBAEVIRIW-UHFFFAOYSA-N -1 3 420.900 4.490 20 30 HIEDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)cc2)c1C ZINC000461209069 874209396 /nfs/dbraw/zinc/20/93/96/874209396.db2.gz LTZXPAJNKMWXIO-UHFFFAOYSA-N -1 3 420.416 4.180 20 30 HIEDHM O=C(N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cc(F)cc2n[n-]nc21 ZINC000503513601 912561853 /nfs/dbraw/zinc/56/18/53/912561853.db2.gz NQBGWRIMPQQBQY-ZDUSSCGKSA-N -1 3 406.261 4.149 20 30 HIEDHM CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc2)n[nH]1 ZINC000473492175 888213158 /nfs/dbraw/zinc/21/31/58/888213158.db2.gz XQXWIVYJQKZFFC-CQSZACIVSA-N -1 3 406.396 4.269 20 30 HIEDHM COc1cc(C)sc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000504584577 913346235 /nfs/dbraw/zinc/34/62/35/913346235.db2.gz IKNWIEOLLRBPOT-UHFFFAOYSA-N -1 3 402.526 4.333 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000505176716 913864034 /nfs/dbraw/zinc/86/40/34/913864034.db2.gz NDNBIXNKYHTEIN-UHFFFAOYSA-N -1 3 406.511 4.336 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000482987271 898628816 /nfs/dbraw/zinc/62/88/16/898628816.db2.gz WAEMNPSJCWHTIH-UHFFFAOYSA-N -1 3 401.869 4.005 20 30 HIEDHM N#CC(=C([O-])c1cccc(OCc2cn3ccccc3n2)c1)c1cnc2ccccc2n1 ZINC000483194305 898851290 /nfs/dbraw/zinc/85/12/90/898851290.db2.gz GTWXUEHARIGEAK-HXUWFJFHSA-N -1 3 419.444 4.347 20 30 HIEDHM Cc1cc(=O)c(C([O-])=C(C#N)c2nccc3ccccc32)nn1-c1cccc(Cl)c1 ZINC000483195388 898852112 /nfs/dbraw/zinc/85/21/12/898852112.db2.gz MABMHPYZQNGXFV-IBGZPJMESA-N -1 3 414.852 4.233 20 30 HIEDHM CCN(CC)S(=O)(=O)c1ccc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000483227538 898870415 /nfs/dbraw/zinc/87/04/15/898870415.db2.gz KETLZROXMIBVMT-NRFANRHFSA-N -1 3 421.522 4.064 20 30 HIEDHM C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000488036029 902554051 /nfs/dbraw/zinc/55/40/51/902554051.db2.gz YVRBDSOWWUYSLF-ZDUSSCGKSA-N -1 3 417.922 4.354 20 30 HIEDHM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1ccc(C(F)(F)F)cn1 ZINC000489891079 903654549 /nfs/dbraw/zinc/65/45/49/903654549.db2.gz RQXPVFMHZZYKML-GFCCVEGCSA-N -1 3 407.302 4.109 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1Br ZINC000494678451 905895772 /nfs/dbraw/zinc/89/57/72/905895772.db2.gz BNQWVJDCWKNTCV-UHFFFAOYSA-N -1 3 408.683 4.263 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000512601180 921256002 /nfs/dbraw/zinc/25/60/02/921256002.db2.gz DRFXCSWMPHGKLI-VWLOTQADSA-N -1 3 411.505 4.383 20 30 HIEDHM N#CC(=C([O-])c1cnc(OC2CCCCC2)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000496720631 906743606 /nfs/dbraw/zinc/74/36/06/906743606.db2.gz DCNKYRROMARTFD-MRXNPFEDSA-N -1 3 413.909 4.254 20 30 HIEDHM COc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1OC(F)F ZINC000512981329 921452812 /nfs/dbraw/zinc/45/28/12/921452812.db2.gz OLOHIASRNOQDBO-ZDUSSCGKSA-N -1 3 401.394 4.305 20 30 HIEDHM COc1ccc(-c2nn(-c3ccccc3)cc2C([O-])=C(C#N)c2ccccn2)cc1OC ZINC000502708916 911742162 /nfs/dbraw/zinc/74/21/62/911742162.db2.gz ZXCDBBJQEPTJNB-IBGZPJMESA-N -1 3 424.460 4.442 20 30 HIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3OC)cc2)cc1 ZINC000509612062 918258675 /nfs/dbraw/zinc/25/86/75/918258675.db2.gz AEFDHRURYSJSRS-UHFFFAOYSA-N -1 3 410.451 4.169 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000518340775 927205879 /nfs/dbraw/zinc/20/58/79/927205879.db2.gz RDEBJCXCBCLUJQ-UHFFFAOYSA-N -1 3 413.437 4.298 20 30 HIEDHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3ccc(C#N)cc3F)nc(=O)c2c1C ZINC000525116797 930045793 /nfs/dbraw/zinc/04/57/93/930045793.db2.gz OWMGGAMLRBCXIZ-JTQLQIEISA-N -1 3 417.487 4.334 20 30 HIEDHM N#Cc1cccc(COc2cccc(NCc3nc(C(F)(F)F)cc(=O)[n-]3)c2)c1 ZINC000535627223 933273477 /nfs/dbraw/zinc/27/34/77/933273477.db2.gz POFMYKRAUVWKCP-UHFFFAOYSA-N -1 3 400.360 4.264 20 30 HIEDHM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2)o1 ZINC000537383630 933749028 /nfs/dbraw/zinc/74/90/28/933749028.db2.gz NYNQKTCJHCOVNE-AWEZNQCLSA-N -1 3 423.379 4.118 20 30 HIEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000562875593 945136576 /nfs/dbraw/zinc/13/65/76/945136576.db2.gz YFPBPCBAJNSTAX-UHFFFAOYSA-N -1 3 408.323 4.074 20 30 HIEDHM CC(=O)c1ccc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c(F)c1 ZINC000538494794 938634981 /nfs/dbraw/zinc/63/49/81/938634981.db2.gz SWUJMEXVQCUGOT-UHFFFAOYSA-N -1 3 412.471 4.296 20 30 HIEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000539946367 938980340 /nfs/dbraw/zinc/98/03/40/938980340.db2.gz ULBMGOSXFHZGNB-AWEZNQCLSA-N -1 3 408.323 4.267 20 30 HIEDHM C=CCOc1cccc(NC(=O)Cc2csc(NC(=O)c3cc(C)ccc3[O-])n2)c1 ZINC000544854357 940519496 /nfs/dbraw/zinc/51/94/96/940519496.db2.gz OCAYQBRNGHNHSE-UHFFFAOYSA-N -1 3 423.494 4.155 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000547010487 940955657 /nfs/dbraw/zinc/95/56/57/940955657.db2.gz CBBDLROGRQUKFB-UHFFFAOYSA-N -1 3 404.348 4.010 20 30 HIEDHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000558162383 943401613 /nfs/dbraw/zinc/40/16/13/943401613.db2.gz 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Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000436569272 861855413 /nfs/dbraw/zinc/85/54/13/861855413.db2.gz BYISTQBGAQXHQS-UHFFFAOYSA-N -1 3 402.406 4.132 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000055428730 850022004 /nfs/dbraw/zinc/02/20/04/850022004.db2.gz UWTYULVHPIAULE-UHFFFAOYSA-N -1 3 412.449 4.099 20 30 HIEDHM CCCN(CC#N)C(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000056484384 850378856 /nfs/dbraw/zinc/37/88/56/850378856.db2.gz MIZOUZYPWSFCRH-UHFFFAOYSA-N -1 3 413.543 4.097 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=C(c2cccc3ccccc32)CC1 ZINC000063691537 851741981 /nfs/dbraw/zinc/74/19/81/851741981.db2.gz HSSAARAEQYOSMM-UHFFFAOYSA-N -1 3 411.505 4.265 20 30 HIEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000138744879 853395647 /nfs/dbraw/zinc/39/56/47/853395647.db2.gz JTCGSPKIOZLOHR-OAHLLOKOSA-N -1 3 417.227 4.279 20 30 HIEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000140367648 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Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)[C@H](C)CC#N)ccc2C)c(C)c1 ZINC000505133528 913834902 /nfs/dbraw/zinc/83/49/02/913834902.db2.gz CBSXETUGYFFEGU-GOSISDBHSA-N -1 3 413.543 4.095 20 30 HIEDHM Cc1ccc(-n2ncc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2C(C)C)cc1 ZINC000481868359 897239267 /nfs/dbraw/zinc/23/92/67/897239267.db2.gz VDGCADZURLJFHO-UHFFFAOYSA-N -1 3 417.513 4.465 20 30 HIEDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)cc1SC ZINC000482162951 897627748 /nfs/dbraw/zinc/62/77/48/897627748.db2.gz IZGSSLXPYINRPE-UHFFFAOYSA-N -1 3 403.485 4.390 20 30 HIEDHM COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000505709681 914394051 /nfs/dbraw/zinc/39/40/51/914394051.db2.gz UHNVHHYUIWLFTR-UHFFFAOYSA-N -1 3 418.453 4.043 20 30 HIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2cccc(F)c2F)CCCC1 ZINC000495158395 906276182 /nfs/dbraw/zinc/27/61/82/906276182.db2.gz PLHBMDRTGGFHKE-UHFFFAOYSA-N -1 3 413.468 4.115 20 30 HIEDHM N#CC(=C([O-])c1ccc(OC[C@H]2CCCO2)cc1)c1nc(-c2ccncc2)cs1 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