smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000435955260 861216848 /nfs/dbraw/zinc/21/68/48/861216848.db2.gz PWVKLENMYUTVIA-LBPRGKRZSA-N -1 0 423.460 4.493 20 30 HIEDRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000013366833 845915124 /nfs/dbraw/zinc/91/51/24/845915124.db2.gz VAQXVDPWNNPPDF-GIDUJCDVSA-N -1 0 407.447 4.082 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccc(-c3ccccc3F)o2)n1 ZINC000016320585 846152736 /nfs/dbraw/zinc/15/27/36/846152736.db2.gz KEIZCDHUJSWHBW-MRXNPFEDSA-N -1 0 412.442 4.203 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3cc4ccccc4o3)cc2[n-]c1=S ZINC000018203662 846308739 /nfs/dbraw/zinc/30/87/39/846308739.db2.gz XPVFBZCGAVVONK-ZDUSSCGKSA-N -1 0 405.479 4.482 20 30 HIEDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cc(C#N)ccc1C ZINC000436519679 861833290 /nfs/dbraw/zinc/83/32/90/861833290.db2.gz RMMKRPVTQKLHAN-FQEVSTJZSA-N -1 0 417.513 4.111 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2ccc(-c3csc(C)n3)cc2)cc1C#N ZINC000031916461 847964758 /nfs/dbraw/zinc/96/47/58/847964758.db2.gz LFABXBPZPJRINB-NSHDSACASA-N -1 0 410.524 4.304 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000034997206 848143238 /nfs/dbraw/zinc/14/32/38/848143238.db2.gz DRARTDZTQOZJIG-GOSISDBHSA-N -1 0 418.515 4.296 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1Cl ZINC000037384241 848172591 /nfs/dbraw/zinc/17/25/91/848172591.db2.gz SFXJZNBBBSWNIL-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM Cc1nc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccc(F)cc1 ZINC000041533433 848227808 /nfs/dbraw/zinc/22/78/08/848227808.db2.gz RQWAPQCSBAFMLV-KRWDZBQOSA-N -1 0 403.442 4.328 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(OC)c1Br ZINC000041543257 848228428 /nfs/dbraw/zinc/22/84/28/848228428.db2.gz ZVAGBMSXBXBJCP-NSHDSACASA-N -1 0 401.216 4.098 20 30 HIEDRM CCOc1c(Br)cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1OC ZINC000041547833 848229366 /nfs/dbraw/zinc/22/93/66/848229366.db2.gz WXSVQFIICUKGNR-GFCCVEGCSA-N -1 0 415.243 4.488 20 30 HIEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 ZINC000041548401 848229500 /nfs/dbraw/zinc/22/95/00/848229500.db2.gz NJKHQZPTZISGML-SECBINFHSA-N -1 0 410.402 4.220 20 30 HIEDRM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)o1 ZINC000041552692 848230800 /nfs/dbraw/zinc/23/08/00/848230800.db2.gz XUZIFAMBHRIGCU-ZDUSSCGKSA-N -1 0 406.389 4.209 20 30 HIEDRM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc2NC1=O ZINC000041559645 848233785 /nfs/dbraw/zinc/23/37/85/848233785.db2.gz CZZKPXXZOMQEEV-PWSUYJOCSA-N -1 0 412.421 4.354 20 30 HIEDRM N#Cc1ccc(OC2CCN(C(=O)c3c([O-])cc(Cl)cc3Cl)CC2)c(F)c1 ZINC000436662062 861886823 /nfs/dbraw/zinc/88/68/23/861886823.db2.gz BGOGWGKXIHOXEH-UHFFFAOYSA-N -1 0 409.244 4.393 20 30 HIEDRM CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436747643 861932378 /nfs/dbraw/zinc/93/23/78/861932378.db2.gz MGXPKFOAOKNBBQ-UHFFFAOYSA-N -1 0 424.092 4.061 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1F ZINC000048829117 849272324 /nfs/dbraw/zinc/27/23/24/849272324.db2.gz RRHSMNUUEOFJRM-CYBMUJFWSA-N -1 0 406.314 4.363 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c([N+](=O)[O-])cc1OC(F)F ZINC000048855481 849276102 /nfs/dbraw/zinc/27/61/02/849276102.db2.gz OCFFJJRXLCIQTK-ZDUSSCGKSA-N -1 0 413.336 4.243 20 30 HIEDRM N#CC(=C([O-])c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2ccccc2o1 ZINC000054734718 849915766 /nfs/dbraw/zinc/91/57/66/849915766.db2.gz VYDKFZGHYBBMBU-CYBMUJFWSA-N -1 0 407.227 4.470 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(C(F)(F)F)c1 ZINC000055546684 850050026 /nfs/dbraw/zinc/05/00/26/850050026.db2.gz HUPFQAGNDZIALK-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000055591884 850066941 /nfs/dbraw/zinc/06/69/41/850066941.db2.gz KATYJFJSHWYEEV-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM O=S(=O)([N-]c1ccc(OC(F)F)cc1OC(F)F)c1ccc(F)c(F)c1F ZINC000055592476 850067977 /nfs/dbraw/zinc/06/79/77/850067977.db2.gz NUFCHWRGMZAHEW-UHFFFAOYSA-N -1 0 419.274 4.108 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000057121816 850553859 /nfs/dbraw/zinc/55/38/59/850553859.db2.gz SPORVKWJXKZPDH-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3c(F)cc(F)cc3F)c2)c1 ZINC000060443066 851101765 /nfs/dbraw/zinc/10/17/65/851101765.db2.gz CXGBYYYSGYOYNR-UHFFFAOYSA-N -1 0 418.396 4.355 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCCSCc2cccc3ccccc32)cc1C#N ZINC000065422177 852128236 /nfs/dbraw/zinc/12/82/36/852128236.db2.gz USJKLXJLGJKFMO-UHFFFAOYSA-N -1 0 409.536 4.197 20 30 HIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C\c3ccc(N4CCOCC4)cc3)cc2)o1 ZINC000213620800 853826440 /nfs/dbraw/zinc/82/64/40/853826440.db2.gz ANKBWLKFTBYMAS-KMKOMSMNSA-N -1 0 403.434 4.378 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000321857874 855391148 /nfs/dbraw/zinc/39/11/48/855391148.db2.gz LSHSWTDGMIVOLZ-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 ZINC000409562450 855542339 /nfs/dbraw/zinc/54/23/39/855542339.db2.gz QSGFBTNOJADPLM-UHFFFAOYSA-N -1 0 423.441 4.425 20 30 HIEDRM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410058541 855805056 /nfs/dbraw/zinc/80/50/56/855805056.db2.gz LBWSTIQUPRGSSE-UHFFFAOYSA-N -1 0 418.780 4.038 20 30 HIEDRM C=CC[C@@H](CC)NC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC)cc2)c1 ZINC000410146400 855837975 /nfs/dbraw/zinc/83/79/75/855837975.db2.gz XNSDRUQHLLMFSX-GOSISDBHSA-N -1 0 416.543 4.143 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nc3c(ccc(F)c3F)s2)ccc1C(F)(F)F ZINC000410324607 855929537 /nfs/dbraw/zinc/92/95/37/855929537.db2.gz JINAOHHVEPULQI-UHFFFAOYSA-N -1 0 419.356 4.266 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3)on2)ccc1C(F)(F)F ZINC000410338348 855936523 /nfs/dbraw/zinc/93/65/23/855936523.db2.gz DLEGCEOVYWAWBM-UHFFFAOYSA-N -1 0 411.336 4.172 20 30 HIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000410379500 855962172 /nfs/dbraw/zinc/96/21/72/855962172.db2.gz CRHQJBNKCCZUEO-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#N ZINC000427098954 856636060 /nfs/dbraw/zinc/63/60/60/856636060.db2.gz DLGXCPLYMDKIGF-UHFFFAOYSA-N -1 0 409.311 4.100 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C(F)(F)F)c1 ZINC000427202747 856710296 /nfs/dbraw/zinc/71/02/96/856710296.db2.gz GVCQETSYSGCLHW-UHFFFAOYSA-N -1 0 402.369 4.304 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)cc1F ZINC000427260050 856741633 /nfs/dbraw/zinc/74/16/33/856741633.db2.gz ZSFCIZFNQQEBHK-UHFFFAOYSA-N -1 0 407.426 4.230 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cnn1-c1ccccc1C ZINC000429114803 857516441 /nfs/dbraw/zinc/51/64/41/857516441.db2.gz MXDFNVMAMBYMAP-HNNXBMFYSA-N -1 0 422.510 4.257 20 30 HIEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3ccccc3-c3ccccc3)o2)c1 ZINC000430321193 858121123 /nfs/dbraw/zinc/12/11/23/858121123.db2.gz KYNZBZURCMWATN-UHFFFAOYSA-N -1 0 402.435 4.076 20 30 HIEDRM Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)s2)c1 ZINC000431314046 858559453 /nfs/dbraw/zinc/55/94/53/858559453.db2.gz RYOQKGMEOHLMLV-UHFFFAOYSA-N -1 0 404.904 4.148 20 30 HIEDRM CC(=O)Nc1ccc(F)c(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c1 ZINC000431687715 858739731 /nfs/dbraw/zinc/73/97/31/858739731.db2.gz QSISYOYFCYXFJG-UHFFFAOYSA-N -1 0 416.408 4.134 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2ccc(Cl)s2)cn1 ZINC000433127999 859532150 /nfs/dbraw/zinc/53/21/50/859532150.db2.gz VGLIBWQQHKSPJW-UHFFFAOYSA-N -1 0 405.888 4.145 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435132231 860655839 /nfs/dbraw/zinc/65/58/39/860655839.db2.gz WHVDHUNTTYZKBK-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1C#N ZINC000435136597 860658317 /nfs/dbraw/zinc/65/83/17/860658317.db2.gz FHKRPWDYNIEHQR-UHFFFAOYSA-N -1 0 409.389 4.037 20 30 HIEDRM Cc1oc(C#N)cc1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[n-]s1 ZINC000435458212 860805324 /nfs/dbraw/zinc/80/53/24/860805324.db2.gz IGLKKWRCNYBCSI-UHFFFAOYSA-N -1 0 402.435 4.445 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCCOc3ccccc3)c2)s1 ZINC000435496786 860823195 /nfs/dbraw/zinc/82/31/95/860823195.db2.gz UPYXPYCTMYFLIX-UHFFFAOYSA-N -1 0 414.508 4.016 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2c(F)cccc2Cl)cnn1-c1cccc(C#N)c1 ZINC000438838013 864331728 /nfs/dbraw/zinc/33/17/28/864331728.db2.gz JQMNRRFEUOAEAH-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000439570974 864893574 /nfs/dbraw/zinc/89/35/74/864893574.db2.gz MTWBBDNLTPKIMA-UHFFFAOYSA-N -1 0 406.507 4.455 20 30 HIEDRM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000441324414 866396788 /nfs/dbraw/zinc/39/67/88/866396788.db2.gz QRQCZBYRMXMCPD-UHFFFAOYSA-N -1 0 405.479 4.228 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1OC(F)(F)F ZINC000442231438 867264553 /nfs/dbraw/zinc/26/45/53/867264553.db2.gz UXNRPVHWKKMGAX-UHFFFAOYSA-N -1 0 410.295 4.276 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)c(C)sc2Br)n1 ZINC000442521283 867497347 /nfs/dbraw/zinc/49/73/47/867497347.db2.gz LYHFLTXOSOBELW-SECBINFHSA-N -1 0 413.318 4.251 20 30 HIEDRM Cc1cc(C)nc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4o3)c(C(C)C)n2)n1 ZINC000442690299 867625015 /nfs/dbraw/zinc/62/50/15/867625015.db2.gz VVEMAKFIBITISC-OAHLLOKOSA-N -1 0 400.442 4.034 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cccc1N1CCNC1=O ZINC000442696094 867630460 /nfs/dbraw/zinc/63/04/60/867630460.db2.gz XVZZQICQHMMWLJ-CQSZACIVSA-N -1 0 410.886 4.278 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncoc2-c2ccccc2Cl)n1 ZINC000442821319 867686696 /nfs/dbraw/zinc/68/66/96/867686696.db2.gz UXJMXYZFPCNFGY-NSHDSACASA-N -1 0 401.831 4.118 20 30 HIEDRM N#CC(=C([O-])c1ccnc(OCC(F)(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000442853255 867699043 /nfs/dbraw/zinc/69/90/43/867699043.db2.gz JAJKNDXHBJQRDM-CYBMUJFWSA-N -1 0 404.373 4.031 20 30 HIEDRM N#C[C@H](C(=O)c1ccc(OC2CCOCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000442860452 867702699 /nfs/dbraw/zinc/70/26/99/867702699.db2.gz WQUSDNDFRDSNDG-LJQANCHMSA-N -1 0 405.479 4.253 20 30 HIEDRM CCc1c(NC(=O)c2ccc(C#N)c([O-])c2)n[nH]c1-c1ccc(Br)cc1 ZINC000442967371 867769699 /nfs/dbraw/zinc/76/96/99/867769699.db2.gz QATKFWHWICAZCG-UHFFFAOYSA-N -1 0 411.259 4.231 20 30 HIEDRM CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3nn(C(C)(C)C)cc3C#N)cc2s1 ZINC000443415055 868000678 /nfs/dbraw/zinc/00/06/78/868000678.db2.gz DQSWPNAPIUWHGG-UHFFFAOYSA-N -1 0 417.560 4.218 20 30 HIEDRM CC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C ZINC000443517065 868078016 /nfs/dbraw/zinc/07/80/16/868078016.db2.gz AJKIJYBWDXINNU-GOSISDBHSA-N -1 0 400.463 4.439 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2)sc1Cc1ccc(F)c(F)c1F ZINC000446944905 870854074 /nfs/dbraw/zinc/85/40/74/870854074.db2.gz XVYPMRKDTSGPBH-UHFFFAOYSA-N -1 0 423.441 4.132 20 30 HIEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3nnc(-c4cc5ccccc5o4)s3)on2)c1 ZINC000447580591 871482146 /nfs/dbraw/zinc/48/21/46/871482146.db2.gz PDAXACPBDXYATK-UHFFFAOYSA-N -1 0 413.418 4.730 20 30 HIEDRM C=CCn1cccc1C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C ZINC000447631292 871542342 /nfs/dbraw/zinc/54/23/42/871542342.db2.gz VNQWLAQBUZXHRD-UHFFFAOYSA-N -1 0 413.474 4.175 20 30 HIEDRM CCOc1ccc([C@@H]2CCCN2C(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1 ZINC000447793314 871729435 /nfs/dbraw/zinc/72/94/35/871729435.db2.gz FIVKOYOPOMZSJU-FQEVSTJZSA-N -1 0 424.545 4.105 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)ccc1SCC(F)(F)F ZINC000463508582 876571231 /nfs/dbraw/zinc/57/12/31/876571231.db2.gz GRNSLEODPCBGPG-UHFFFAOYSA-N -1 0 416.446 4.331 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCCCC1 ZINC000463668487 876791511 /nfs/dbraw/zinc/79/15/11/876791511.db2.gz JHGAOAYAZGTIAS-UHFFFAOYSA-N -1 0 405.907 4.011 20 30 HIEDRM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000464300156 877489400 /nfs/dbraw/zinc/48/94/00/877489400.db2.gz YMJLIRBMASCOFV-CYBMUJFWSA-N -1 0 421.316 4.480 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc2cccnc21 ZINC000464419515 877628394 /nfs/dbraw/zinc/62/83/94/877628394.db2.gz NCRNIOZBHVCVLR-HNNXBMFYSA-N -1 0 422.370 4.028 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc(F)cc2F)n1)c1nc(-c2ccncc2)cs1 ZINC000464506551 877730010 /nfs/dbraw/zinc/73/00/10/877730010.db2.gz KNJIKMRSIJARIQ-CQSZACIVSA-N -1 0 407.405 4.159 20 30 HIEDRM CS(=O)(=O)c1csc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000503387896 912368725 /nfs/dbraw/zinc/36/87/25/912368725.db2.gz PGMZMCPDTKXXIY-JTQLQIEISA-N -1 0 424.475 4.043 20 30 HIEDRM C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000466758608 880538902 /nfs/dbraw/zinc/53/89/02/880538902.db2.gz NLPNBVFZSLANNG-OAHLLOKOSA-N -1 0 418.515 4.045 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(Cl)c2O)c(Cl)c1 ZINC000504031209 912934125 /nfs/dbraw/zinc/93/41/25/912934125.db2.gz CKLDRTPEYOTPQB-UHFFFAOYSA-N -1 0 422.087 4.134 20 30 HIEDRM CC(C)c1cnc(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cc2)o1 ZINC000471114171 885650743 /nfs/dbraw/zinc/65/07/43/885650743.db2.gz UEPKFSOXBYCLOQ-UHFFFAOYSA-N -1 0 412.427 4.046 20 30 HIEDRM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000473481576 888204556 /nfs/dbraw/zinc/20/45/56/888204556.db2.gz OAUGOJGXMDPCBQ-HNNXBMFYSA-N -1 0 418.540 4.367 20 30 HIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000473483951 888206151 /nfs/dbraw/zinc/20/61/51/888206151.db2.gz WCJOJPLUQZIMBY-UHFFFAOYSA-N -1 0 411.188 4.406 20 30 HIEDRM C=CCCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)CC1 ZINC000474071073 888898963 /nfs/dbraw/zinc/89/89/63/888898963.db2.gz CFRVJJNFGBOLPV-UHFFFAOYSA-N -1 0 414.527 4.489 20 30 HIEDRM CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000504545862 913323178 /nfs/dbraw/zinc/32/31/78/913323178.db2.gz CMTUOPNMBCRSAD-LJQANCHMSA-N -1 0 421.906 4.028 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2SCC(=O)N2CCCC2)n1 ZINC000474451347 889318289 /nfs/dbraw/zinc/31/82/89/889318289.db2.gz XLMJIKVTBICBAO-INIZCTEOSA-N -1 0 413.568 4.471 20 30 HIEDRM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000475730815 890669394 /nfs/dbraw/zinc/66/93/94/890669394.db2.gz AVKFRBGZBIAXJG-UHFFFAOYSA-N -1 0 418.780 4.038 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000475792232 890731154 /nfs/dbraw/zinc/73/11/54/890731154.db2.gz DGUUTRDBBGHBOQ-QGZVFWFLSA-N -1 0 420.918 4.155 20 30 HIEDRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000476439956 891352582 /nfs/dbraw/zinc/35/25/82/891352582.db2.gz WPLZCXBMDLGKKG-CQSZACIVSA-N -1 0 418.540 4.285 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)sc1SCC#N ZINC000476932040 891876573 /nfs/dbraw/zinc/87/65/73/891876573.db2.gz YSAIVLYULXGGJI-UHFFFAOYSA-N -1 0 407.464 4.195 20 30 HIEDRM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479056954 894316479 /nfs/dbraw/zinc/31/64/79/894316479.db2.gz HWPVDMMAGHDSIX-UHFFFAOYSA-N -1 0 414.918 4.381 20 30 HIEDRM Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000479262820 894533301 /nfs/dbraw/zinc/53/33/01/894533301.db2.gz WJEGPCUISMTHMH-UHFFFAOYSA-N -1 0 418.780 4.038 20 30 HIEDRM CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C(F)(F)F)c1 ZINC000505287526 913946147 /nfs/dbraw/zinc/94/61/47/913946147.db2.gz MKLDPLOMPJLOAV-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n(-c2ccc(Cl)cc2)n1 ZINC000505287240 913946376 /nfs/dbraw/zinc/94/63/76/913946376.db2.gz JCVNYAAKIUPKPB-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cnn1C(CC)CC ZINC000480234879 895640253 /nfs/dbraw/zinc/64/02/53/895640253.db2.gz WRUVGQFYLUZZCN-UHFFFAOYSA-N -1 0 414.453 4.498 20 30 HIEDRM C=CCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000480566477 895926367 /nfs/dbraw/zinc/92/63/67/895926367.db2.gz ZZIWUYDEQQKAIL-UHFFFAOYSA-N -1 0 408.907 4.444 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1-c1cccc(C#N)c1 ZINC000505428932 914093817 /nfs/dbraw/zinc/09/38/17/914093817.db2.gz OUZHXYIUPQMUQA-MRXNPFEDSA-N -1 0 416.391 4.287 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1ccc2ncccc2c1 ZINC000483204422 898857434 /nfs/dbraw/zinc/85/74/34/898857434.db2.gz RACNFXZVXWVLGF-FQEVSTJZSA-N -1 0 404.433 4.162 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c3c2CCC3)c(F)c1 ZINC000483219911 898865070 /nfs/dbraw/zinc/86/50/70/898865070.db2.gz MOIVHSHOPDLNPR-INIZCTEOSA-N -1 0 411.440 4.242 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2sc(N3CCCC3)nc2s1 ZINC000483436500 899069767 /nfs/dbraw/zinc/06/97/67/899069767.db2.gz TWVLFEPBBKSCNN-LBPRGKRZSA-N -1 0 407.524 4.335 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000505623647 914323749 /nfs/dbraw/zinc/32/37/49/914323749.db2.gz UOFWJDWNYLTMQV-UHFFFAOYSA-N -1 0 411.417 4.453 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1cccc(C#N)c1 ZINC000505707236 914391937 /nfs/dbraw/zinc/39/19/37/914391937.db2.gz VYAZFCVTWBBZDZ-SFHVURJKSA-N -1 0 410.462 4.061 20 30 HIEDRM C=CCOc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000485705979 900955021 /nfs/dbraw/zinc/95/50/21/900955021.db2.gz AHTBEEOPUUUQAU-UHFFFAOYSA-N -1 0 423.387 4.006 20 30 HIEDRM C=CCc1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc(OC)c1OC ZINC000485794856 901046961 /nfs/dbraw/zinc/04/69/61/901046961.db2.gz FFLXANQZBNQGFK-UHFFFAOYSA-N -1 0 401.484 4.002 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1ccccc1 ZINC000486085049 901274465 /nfs/dbraw/zinc/27/44/65/901274465.db2.gz DKHVEKXKZWRJTL-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)c1 ZINC000488386870 902796311 /nfs/dbraw/zinc/79/63/11/902796311.db2.gz OQWXYRKHPUKGNM-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cnn1CCC(C)C ZINC000491593647 904666193 /nfs/dbraw/zinc/66/61/93/904666193.db2.gz HZMFHKXMIHRQHC-UHFFFAOYSA-N -1 0 414.453 4.183 20 30 HIEDRM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 ZINC000512490097 921196448 /nfs/dbraw/zinc/19/64/48/921196448.db2.gz VREQOHKJMWARDA-QGZVFWFLSA-N -1 0 412.478 4.070 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([N+](=O)[O-])cc3OC)n2)cc1 ZINC000495185781 906296929 /nfs/dbraw/zinc/29/69/29/906296929.db2.gz APSHUSSMKQEANS-INIZCTEOSA-N -1 0 409.423 4.226 20 30 HIEDRM CCn1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000495189774 906298191 /nfs/dbraw/zinc/29/81/91/906298191.db2.gz HLZDHRUEXIEXTG-LBPRGKRZSA-N -1 0 401.835 4.078 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000495477520 906476493 /nfs/dbraw/zinc/47/64/93/906476493.db2.gz ROBGKEDNQGCZRD-UHFFFAOYSA-N -1 0 411.508 4.176 20 30 HIEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1-c1ccccc1Cl ZINC000499159306 908515283 /nfs/dbraw/zinc/51/52/83/908515283.db2.gz VLJCNOCZEQLCJC-CQSZACIVSA-N -1 0 418.888 4.421 20 30 HIEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000512958304 921437547 /nfs/dbraw/zinc/43/75/47/921437547.db2.gz FJBXXPKIFSFFEZ-UHFFFAOYSA-N -1 0 409.305 4.217 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ncccc3Cl)c2C(F)(F)F)n1 ZINC000499572904 908844313 /nfs/dbraw/zinc/84/43/13/908844313.db2.gz CPFYREJNIOMJCQ-SECBINFHSA-N -1 0 411.796 4.195 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C4CCOCC4)c3C)n2)cc1 ZINC000500459842 909871877 /nfs/dbraw/zinc/87/18/77/909871877.db2.gz DRCVWYSDMXDTNW-SFHVURJKSA-N -1 0 422.510 4.165 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C(=O)OC)c(OC)c1 ZINC000500461935 909871936 /nfs/dbraw/zinc/87/19/36/909871936.db2.gz PGFRXYAMAMNPDS-UHFFFAOYSA-N -1 0 403.500 4.135 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000501860548 910890454 /nfs/dbraw/zinc/89/04/54/910890454.db2.gz CIISQDJUOFDVRF-GHMZBOCLSA-N -1 0 409.433 4.322 20 30 HIEDRM CC(C)Oc1ccc(-c2nc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cs2)cc1 ZINC000502753000 911775662 /nfs/dbraw/zinc/77/56/62/911775662.db2.gz IOHAYWOVVMDNHD-QGZVFWFLSA-N -1 0 421.526 4.405 20 30 HIEDRM CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502794976 911816427 /nfs/dbraw/zinc/81/64/27/911816427.db2.gz NFOIRWPAFFGFRR-UHFFFAOYSA-N -1 0 415.298 4.081 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)c(Cl)c1 ZINC000502811211 911827853 /nfs/dbraw/zinc/82/78/53/911827853.db2.gz BRBJLFCJWRYULY-AWEZNQCLSA-N -1 0 415.902 4.307 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)ccc1Cl ZINC000507630136 916390768 /nfs/dbraw/zinc/39/07/68/916390768.db2.gz NNVBCTCOSSJBAG-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM CC1(C#N)CCN(C(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])CC1 ZINC000507838678 916649090 /nfs/dbraw/zinc/64/90/90/916649090.db2.gz RKMXCKYAEZQFDO-UHFFFAOYSA-N -1 0 413.692 4.304 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000507964247 916818555 /nfs/dbraw/zinc/81/85/55/916818555.db2.gz JACGDAYKNNFNOT-UHFFFAOYSA-N -1 0 403.813 4.463 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c(Cl)c1 ZINC000508127901 916946843 /nfs/dbraw/zinc/94/68/43/916946843.db2.gz LLMMLMLTRDDIBU-INIZCTEOSA-N -1 0 413.808 4.275 20 30 HIEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1nnc(-c2cccc(C#N)c2)o1 ZINC000508210697 917028783 /nfs/dbraw/zinc/02/87/83/917028783.db2.gz WBLDFJIHMFFZAX-UHFFFAOYSA-N -1 0 414.830 4.117 20 30 HIEDRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000509102665 917842251 /nfs/dbraw/zinc/84/22/51/917842251.db2.gz IIIXWSIOVKEGQZ-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM CCCOc1c(Br)cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1OC ZINC000509691887 918322066 /nfs/dbraw/zinc/32/20/66/918322066.db2.gz RKQGUDAOSHEFOI-GQCTYLIASA-N -1 0 417.259 4.382 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c3O[C@@H](C)C(=O)N4)n2)cc1 ZINC000511757097 920437474 /nfs/dbraw/zinc/43/74/74/920437474.db2.gz NZAAYOKEVMXZSU-XJKSGUPXSA-N -1 0 403.463 4.328 20 30 HIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)n[nH]1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000513681916 922002961 /nfs/dbraw/zinc/00/29/61/922002961.db2.gz LRKXOLDUPJIKQJ-CQSZACIVSA-N -1 0 415.478 4.156 20 30 HIEDRM Cc1cc(OCc2cccc(Cl)c2)ccc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000514638537 922740602 /nfs/dbraw/zinc/74/06/02/922740602.db2.gz CHFYLLXACVJLGV-UHFFFAOYSA-N -1 0 413.886 4.295 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cnn1Cc1ccccc1 ZINC000516344934 923678266 /nfs/dbraw/zinc/67/82/66/923678266.db2.gz OXVDULZEDIHGNF-INIZCTEOSA-N -1 0 422.510 4.007 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3c(s2)-c2ccccc2OC3)n1 ZINC000516352582 923682506 /nfs/dbraw/zinc/68/25/06/923682506.db2.gz UDPNHLPOCKNMGD-ZDUSSCGKSA-N -1 0 410.476 4.431 20 30 HIEDRM Cc1c(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)c2ccccc2n1C ZINC000517187637 924043304 /nfs/dbraw/zinc/04/33/04/924043304.db2.gz SCWCEAHCJDCOLA-UHFFFAOYSA-N -1 0 422.535 4.207 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1ccc(F)c(Cl)c1 ZINC000517502439 924232942 /nfs/dbraw/zinc/23/29/42/924232942.db2.gz UBUSNRNEBMXSGX-GFCCVEGCSA-N -1 0 423.757 4.272 20 30 HIEDRM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C ZINC000517731774 926818172 /nfs/dbraw/zinc/81/81/72/926818172.db2.gz QLFDDFWCWDLQDD-MRXNPFEDSA-N -1 0 423.494 4.430 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(-c3cccs3)nc2C)n1 ZINC000517924499 926892431 /nfs/dbraw/zinc/89/24/31/926892431.db2.gz UEHGLCVBXIGMRM-SNVBAGLBSA-N -1 0 403.510 4.303 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2COc2ccccc2)n1 ZINC000517926694 926893053 /nfs/dbraw/zinc/89/30/53/926893053.db2.gz YJCJEEAHEJMKTO-GOSISDBHSA-N -1 0 406.463 4.389 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn(CCCC#N)c3ccccc23)n1 ZINC000518475167 927296871 /nfs/dbraw/zinc/29/68/71/927296871.db2.gz JYRKRWVHKMGJOJ-HNNXBMFYSA-N -1 0 406.467 4.068 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1-c1ccccc1 ZINC000518515501 927319938 /nfs/dbraw/zinc/31/99/38/927319938.db2.gz UJXJXRQKTMEOBT-GOSISDBHSA-N -1 0 410.462 4.061 20 30 HIEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000518516452 927320829 /nfs/dbraw/zinc/32/08/29/927320829.db2.gz DKDDKSPTOCKUSW-KRWDZBQOSA-N -1 0 412.478 4.140 20 30 HIEDRM COc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000518871032 927580226 /nfs/dbraw/zinc/58/02/26/927580226.db2.gz QWOCHHWQVAZRMB-GFCCVEGCSA-N -1 0 415.377 4.495 20 30 HIEDRM C=CCc1ccc(OCC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)c(OC)c1 ZINC000518900783 927610930 /nfs/dbraw/zinc/61/09/30/927610930.db2.gz JRDFJLDJLHQSNU-UHFFFAOYSA-N -1 0 415.902 4.035 20 30 HIEDRM N#CC(=C([O-])c1ccc(C(N)=O)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000519481225 927979012 /nfs/dbraw/zinc/97/90/12/927979012.db2.gz LVVCZCQKMYKCEQ-LBPRGKRZSA-N -1 0 417.277 4.101 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2nc3ccccc3s2)o1)c1nnc2n1CCCCC2 ZINC000519899608 928134552 /nfs/dbraw/zinc/13/45/52/928134552.db2.gz XQMBJKCHZUILLD-ZDUSSCGKSA-N -1 0 403.467 4.364 20 30 HIEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000520186846 928374927 /nfs/dbraw/zinc/37/49/27/928374927.db2.gz ZIFPKVNAFUDXJO-ZDUSSCGKSA-N -1 0 404.513 4.142 20 30 HIEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000521178255 929045888 /nfs/dbraw/zinc/04/58/88/929045888.db2.gz YFBOHNMOLXNKMD-CQSZACIVSA-N -1 0 404.900 4.233 20 30 HIEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000521261404 929087605 /nfs/dbraw/zinc/08/76/05/929087605.db2.gz RQRJZQGIFLSNCK-GMYLUUGSSA-N -1 0 416.474 4.457 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(OC(F)(F)F)cc3s2)c(F)c1 ZINC000525325484 930163822 /nfs/dbraw/zinc/16/38/22/930163822.db2.gz QQWVBLVIQUWHED-UHFFFAOYSA-N -1 0 417.365 4.006 20 30 HIEDRM C=C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000534703994 932675356 /nfs/dbraw/zinc/67/53/56/932675356.db2.gz DFSBSFSHBTWXOO-HNNXBMFYSA-N -1 0 413.524 4.242 20 30 HIEDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000535400568 933116860 /nfs/dbraw/zinc/11/68/60/933116860.db2.gz OCNSDFRJZXXHJF-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nnn1Cc1ccc(F)cc1 ZINC000562497086 945091997 /nfs/dbraw/zinc/09/19/97/945091997.db2.gz XQWGCBZKSRIGTQ-SFHVURJKSA-N -1 0 417.469 4.388 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)sc1C(F)(F)F ZINC000562522851 945097689 /nfs/dbraw/zinc/09/76/89/945097689.db2.gz BKRACWYWPISNLM-UHFFFAOYSA-N -1 0 408.320 4.429 20 30 HIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000538368228 938605261 /nfs/dbraw/zinc/60/52/61/938605261.db2.gz ZFFOMJUKJWRHRS-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM COc1cccc(-c2nc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)c(C)[nH]2)c1 ZINC000538980396 938758058 /nfs/dbraw/zinc/75/80/58/938758058.db2.gz OZOTXGRFQRBTLQ-KRWDZBQOSA-N -1 0 415.478 4.402 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)c1Cl ZINC000542984224 939891533 /nfs/dbraw/zinc/89/15/33/939891533.db2.gz IYDUJXUOFVYPNT-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000543164541 939982635 /nfs/dbraw/zinc/98/26/35/939982635.db2.gz OVXZIQNZRKKDSQ-UHFFFAOYSA-N -1 0 422.915 4.252 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000543866030 940216515 /nfs/dbraw/zinc/21/65/15/940216515.db2.gz ZITUCSPIVTVZIN-UHFFFAOYSA-N -1 0 418.434 4.201 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)nc1C ZINC000548926430 941129742 /nfs/dbraw/zinc/12/97/42/941129742.db2.gz QUCFNXKPMHODOX-QGZVFWFLSA-N -1 0 405.479 4.489 20 30 HIEDRM N#CC(=C([O-])c1ccnc(NC(=O)C2CC2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000552063541 941577202 /nfs/dbraw/zinc/57/72/02/941577202.db2.gz CIJMVZHFNRJNCB-CYBMUJFWSA-N -1 0 424.432 4.322 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000553205121 941849132 /nfs/dbraw/zinc/84/91/32/941849132.db2.gz VQOQEMMKBISQRY-ZBFHGGJFSA-N -1 0 421.444 4.466 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc1C#N ZINC000553911051 941996646 /nfs/dbraw/zinc/99/66/46/941996646.db2.gz YACMSNARVROXGJ-AWEZNQCLSA-N -1 0 405.932 4.041 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000557408460 943109035 /nfs/dbraw/zinc/10/90/35/943109035.db2.gz MGJPIXPLIXEAHT-CYBMUJFWSA-N -1 0 421.444 4.419 20 30 HIEDRM Cc1cc(C#N)cnc1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[n-]s1 ZINC000559825413 944061135 /nfs/dbraw/zinc/06/11/35/944061135.db2.gz KFWWSAHBSXNEBQ-UHFFFAOYSA-N -1 0 413.462 4.247 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000559963834 944101865 /nfs/dbraw/zinc/10/18/65/944101865.db2.gz XECOBXMIIDUIOK-UHFFFAOYSA-N -1 0 403.266 4.117 20 30 HIEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000560713140 944306637 /nfs/dbraw/zinc/30/66/37/944306637.db2.gz QSQHEXPRKKSXMF-UHFFFAOYSA-N -1 0 411.421 4.402 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)cc1C#N ZINC000560993937 944389775 /nfs/dbraw/zinc/38/97/75/944389775.db2.gz VKCYPUUUPLYUQM-UHFFFAOYSA-N -1 0 405.882 4.226 20 30 HIEDRM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccccc3OC(F)F)cc2)ccn1 ZINC000570328809 947205851 /nfs/dbraw/zinc/20/58/51/947205851.db2.gz ZROWKJYRHQSWIJ-UHFFFAOYSA-N -1 0 417.393 4.148 20 30 HIEDRM C=CCOc1ccccc1C(=O)NCCc1c(CC)[n-]n(Cc2ccccc2C)c1=O ZINC000571255009 947574824 /nfs/dbraw/zinc/57/48/24/947574824.db2.gz IEXXADZOYYOGQU-FQEVSTJZSA-N -1 0 419.525 4.104 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc(F)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000575225376 948638715 /nfs/dbraw/zinc/63/87/15/948638715.db2.gz OXUODXDDWGEXLQ-UHFFFAOYSA-N -1 0 413.430 4.003 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(-c3ccc(F)cc3)s2)n1 ZINC000007938646 845451375 /nfs/dbraw/zinc/45/13/75/845451375.db2.gz UXNFEKRFTOTQAE-CQSZACIVSA-N -1 0 400.456 4.352 20 30 HIEDRM COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1CC(=O)[O-] ZINC000013066871 845903197 /nfs/dbraw/zinc/90/31/97/845903197.db2.gz KHMBPIXGEPIJLG-VQHVLOKHSA-N -1 0 407.378 4.387 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccccc2SCc2ccco2)n1 ZINC000016155882 846131537 /nfs/dbraw/zinc/13/15/37/846131537.db2.gz MKOWTDDRHSZLOV-INIZCTEOSA-N -1 0 412.492 4.370 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000016458241 846174318 /nfs/dbraw/zinc/17/43/18/846174318.db2.gz SKOKWKRHGSUAHT-CYBMUJFWSA-N -1 0 417.899 4.262 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F ZINC000041501058 848222754 /nfs/dbraw/zinc/22/27/54/848222754.db2.gz UYQJUERSGHUYGP-SNVBAGLBSA-N -1 0 419.365 4.305 20 30 HIEDRM CCOc1ccc(-c2nc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cs2)cc1 ZINC000041505446 848223555 /nfs/dbraw/zinc/22/35/55/848223555.db2.gz XZAJOUOAZYJZHQ-INIZCTEOSA-N -1 0 407.499 4.017 20 30 HIEDRM CS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000041515063 848224623 /nfs/dbraw/zinc/22/46/23/848224623.db2.gz JAFNBLWURUFYIY-INIZCTEOSA-N -1 0 416.911 4.357 20 30 HIEDRM CCOc1c(Br)cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1OC ZINC000041547836 848229977 /nfs/dbraw/zinc/22/99/77/848229977.db2.gz WXSVQFIICUKGNR-LBPRGKRZSA-N -1 0 415.243 4.488 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2ccccc2F)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393020 849309203 /nfs/dbraw/zinc/30/92/03/849309203.db2.gz JFLRLWYMEZCIMB-OAHLLOKOSA-N -1 0 414.400 4.087 20 30 HIEDRM CC(C)Sc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049396061 849309383 /nfs/dbraw/zinc/30/93/83/849309383.db2.gz MLDCNFZJEHQQOH-KRWDZBQOSA-N -1 0 404.499 4.188 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1-n1cccc1 ZINC000051156369 849437467 /nfs/dbraw/zinc/43/74/67/849437467.db2.gz UMPBVILUVLTYHF-HNNXBMFYSA-N -1 0 407.886 4.478 20 30 HIEDRM C=CCN1C(=O)c2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)cc2C1=O ZINC000051533378 849481142 /nfs/dbraw/zinc/48/11/42/849481142.db2.gz LXVHCTFFSUUGSZ-SFHVURJKSA-N -1 0 413.458 4.082 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccccc2)cs1 ZINC000051534364 849481528 /nfs/dbraw/zinc/48/15/28/849481528.db2.gz WCDPOPIDUHVJLE-GOSISDBHSA-N -1 0 415.434 4.394 20 30 HIEDRM CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000051655578 849499304 /nfs/dbraw/zinc/49/93/04/849499304.db2.gz KOBJWVHTCAXCMX-GFCCVEGCSA-N -1 0 400.341 4.228 20 30 HIEDRM N#Cc1ccc(C2=CCN(C(=O)c3cc(F)cc(Br)c3[O-])CC2)cc1 ZINC000436861014 862039406 /nfs/dbraw/zinc/03/94/06/862039406.db2.gz YXCUQJRPCRDIHV-UHFFFAOYSA-N -1 0 401.235 4.095 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc2ccccc2o1 ZINC000054735928 849915730 /nfs/dbraw/zinc/91/57/30/849915730.db2.gz KWVDYDFIISJYAL-AWEZNQCLSA-N -1 0 404.376 4.270 20 30 HIEDRM N#CC(=C([O-])c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000054735828 849915924 /nfs/dbraw/zinc/91/59/24/849915924.db2.gz LKJUMGNWMPKNFF-GFCCVEGCSA-N -1 0 405.288 4.167 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000055688406 850112810 /nfs/dbraw/zinc/11/28/10/850112810.db2.gz VFBZDPHKQRRHKL-UHFFFAOYSA-N -1 0 417.918 4.075 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000057122695 850553102 /nfs/dbraw/zinc/55/31/02/850553102.db2.gz NGHMCQBPGLDEOX-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM CC(=O)Nc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000060043161 851034310 /nfs/dbraw/zinc/03/43/10/851034310.db2.gz SXFFDHHVWTZLEN-UHFFFAOYSA-N -1 0 406.479 4.084 20 30 HIEDRM COc1ccc(C2(CNC(=O)c3cc(C#N)c(SC)[n-]c3=O)CCCCC2)cc1 ZINC000063112268 851617592 /nfs/dbraw/zinc/61/75/92/851617592.db2.gz QHXPJABISNRINA-UHFFFAOYSA-N -1 0 411.527 4.021 20 30 HIEDRM COc1ccc(COc2cccc(F)c2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000063634780 851730684 /nfs/dbraw/zinc/73/06/84/851730684.db2.gz HWPFYNSSKVUWGB-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CC=C(c3cccc4ccccc43)CC2)cc1C#N ZINC000064056157 851821848 /nfs/dbraw/zinc/82/18/48/851821848.db2.gz WXPXUPDNDKIRCM-UHFFFAOYSA-N -1 0 401.491 4.463 20 30 HIEDRM Cc1nc2ccccc2c(=O)n1-c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000195557185 853682741 /nfs/dbraw/zinc/68/27/41/853682741.db2.gz AMVJKLDADORJKC-IBGZPJMESA-N -1 0 420.428 4.325 20 30 HIEDRM COc1ccc(-c2n[n-]c(=S)n2N=CC=Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000254615229 854212625 /nfs/dbraw/zinc/21/26/25/854212625.db2.gz BNDDPQPWKISGFC-UDIFLNKKSA-N -1 0 411.443 4.080 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c(Br)c1 ZINC000325581048 855404557 /nfs/dbraw/zinc/40/45/57/855404557.db2.gz MNLJPHKHQYADQG-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)cc(Br)c2)n1 ZINC000437374257 862678194 /nfs/dbraw/zinc/67/81/94/862678194.db2.gz NEHMYNLRHXFSRT-NSHDSACASA-N -1 0 413.680 4.226 20 30 HIEDRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000390916987 855458954 /nfs/dbraw/zinc/45/89/54/855458954.db2.gz FCPGVWLSSCJBHF-UHFFFAOYSA-N -1 0 415.334 4.302 20 30 HIEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3cc(Cl)cc(Br)c3[O-])n2)c1 ZINC000409795900 855657633 /nfs/dbraw/zinc/65/76/33/855657633.db2.gz YFADMZASXDDRKR-UHFFFAOYSA-N -1 0 417.650 4.118 20 30 HIEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n(C)n1 ZINC000410335476 855935439 /nfs/dbraw/zinc/93/54/39/855935439.db2.gz RLNUDEPEXNUNIJ-UHFFFAOYSA-N -1 0 420.416 4.087 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000426526375 856334264 /nfs/dbraw/zinc/33/42/64/856334264.db2.gz YNHLKKSWQKLNAJ-LLVKDONJSA-N -1 0 402.781 4.482 20 30 HIEDRM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)n1 ZINC000427441060 856820898 /nfs/dbraw/zinc/82/08/98/856820898.db2.gz IBASVARIRNJDBP-UHFFFAOYSA-N -1 0 413.381 4.088 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)cc1C(F)(F)F ZINC000427638227 856893990 /nfs/dbraw/zinc/89/39/90/856893990.db2.gz TVSRTUQMBVKKOI-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)sc1Cc1cccc(Cl)c1 ZINC000427765552 856945035 /nfs/dbraw/zinc/94/50/35/856945035.db2.gz WQYJNDFCBMSISA-UHFFFAOYSA-N -1 0 418.931 4.072 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC23CC4CC(CC(C4)C2)C3)cn1 ZINC000428238514 857121583 /nfs/dbraw/zinc/12/15/83/857121583.db2.gz FAYHEIKBUOHPFJ-UHFFFAOYSA-N -1 0 408.527 4.135 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cnn1-c1ccc(C)cc1 ZINC000429116278 857516658 /nfs/dbraw/zinc/51/66/58/857516658.db2.gz QZBICVUKVMZZAE-INIZCTEOSA-N -1 0 422.510 4.257 20 30 HIEDRM CCSc1nccnc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000430524724 858207280 /nfs/dbraw/zinc/20/72/80/858207280.db2.gz MQYMCAQODADVCJ-JTQLQIEISA-N -1 0 402.451 4.480 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)cc1C ZINC000431333913 858570037 /nfs/dbraw/zinc/57/00/37/858570037.db2.gz QMDYQSFCNMZRFS-UHFFFAOYSA-N -1 0 416.553 4.120 20 30 HIEDRM C=C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000431436282 858614168 /nfs/dbraw/zinc/61/41/68/858614168.db2.gz UGWFPTCODBYKMM-RDTXWAMCSA-N -1 0 402.288 4.441 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ccc(-c4ccco4)[nH]c3=O)c2)c1 ZINC000431639901 858705980 /nfs/dbraw/zinc/70/59/80/858705980.db2.gz NDYDAUSWSBAJRC-UHFFFAOYSA-N -1 0 424.412 4.398 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cnc([C@@H]4CCCO4)s3)c2)c1 ZINC000431679587 858734292 /nfs/dbraw/zinc/73/42/92/858734292.db2.gz RFLRRJAABNVKNS-IBGZPJMESA-N -1 0 418.474 4.345 20 30 HIEDRM N#Cc1ccsc1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000432791082 859362178 /nfs/dbraw/zinc/36/21/78/859362178.db2.gz DVUPKVMKEWOSEZ-UHFFFAOYSA-N -1 0 402.067 4.103 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1Br ZINC000432956771 859447358 /nfs/dbraw/zinc/44/73/58/859447358.db2.gz ATMDQGPMYKWSSV-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(C)cc2OCCCC(C)C)cc1C#N ZINC000467624380 881427304 /nfs/dbraw/zinc/42/73/04/881427304.db2.gz ZYBLSULGYWANTN-UHFFFAOYSA-N -1 0 413.543 4.434 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433598264 859803096 /nfs/dbraw/zinc/80/30/96/859803096.db2.gz DPBIGPOCJQQDOK-UHFFFAOYSA-N -1 0 421.725 4.235 20 30 HIEDRM COc1ccc(COc2cccc(F)c2)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435474554 860812086 /nfs/dbraw/zinc/81/20/86/860812086.db2.gz NWZJHRHKBGDVHY-UHFFFAOYSA-N -1 0 418.471 4.147 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C2CCCCC2)ccc1C#N ZINC000435760073 861038901 /nfs/dbraw/zinc/03/89/01/861038901.db2.gz MMTOJKBGBOOVHZ-UHFFFAOYSA-N -1 0 411.527 4.072 20 30 HIEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000438733802 864218727 /nfs/dbraw/zinc/21/87/27/864218727.db2.gz XHMDADWYTWEGJL-UHFFFAOYSA-N -1 0 413.386 4.199 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)cnn1-c1cccc(C#N)c1 ZINC000438816653 864308954 /nfs/dbraw/zinc/30/89/54/864308954.db2.gz DOQLFEXABFKXKY-UHFFFAOYSA-N -1 0 416.453 4.084 20 30 HIEDRM Cc1cc(C#N)ccc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000438900585 864381306 /nfs/dbraw/zinc/38/13/06/864381306.db2.gz MMWIUFJTUSDZNV-UHFFFAOYSA-N -1 0 415.471 4.120 20 30 HIEDRM N#Cc1cccc(COc2cccc(NC(=O)c3nn(-c4ccccc4)cc3[O-])c2)c1 ZINC000438993849 864451652 /nfs/dbraw/zinc/45/16/52/864451652.db2.gz KYDLTPAFBWPKLX-UHFFFAOYSA-N -1 0 410.433 4.281 20 30 HIEDRM COc1c(Br)c(C)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000442596957 867551999 /nfs/dbraw/zinc/55/19/99/867551999.db2.gz HUKHQPZINBQMFU-SNVBAGLBSA-N -1 0 404.289 4.204 20 30 HIEDRM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000442817048 867684838 /nfs/dbraw/zinc/68/48/38/867684838.db2.gz LUICJOHXQBUBQM-LBPRGKRZSA-N -1 0 410.542 4.038 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443410801 867992545 /nfs/dbraw/zinc/99/25/45/867992545.db2.gz BOWZMXSTIWXFFJ-AWEZNQCLSA-N -1 0 402.541 4.453 20 30 HIEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C1CC1 ZINC000443416488 868000900 /nfs/dbraw/zinc/00/09/00/868000900.db2.gz KPGXKMRZEBLNRI-NSHDSACASA-N -1 0 412.437 4.423 20 30 HIEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000443424698 868007288 /nfs/dbraw/zinc/00/72/88/868007288.db2.gz WADIVAACTZBQSK-UHFFFAOYSA-N -1 0 407.710 4.271 20 30 HIEDRM N#CC1(CS(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCCCC1 ZINC000443968319 868499114 /nfs/dbraw/zinc/49/91/14/868499114.db2.gz OBSQPOGTHAPTJP-CQSZACIVSA-N -1 0 412.836 4.476 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)sc1SCC#N ZINC000444052088 868590941 /nfs/dbraw/zinc/59/09/41/868590941.db2.gz PTDHSZSMWUSSHA-UHFFFAOYSA-N -1 0 411.427 4.026 20 30 HIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000468349073 882285814 /nfs/dbraw/zinc/28/58/14/882285814.db2.gz NDCLMAWFEIZGHK-UHFFFAOYSA-N -1 0 406.891 4.200 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460829424 873716381 /nfs/dbraw/zinc/71/63/81/873716381.db2.gz LZGICBXYNXATSB-CQSZACIVSA-N -1 0 416.503 4.206 20 30 HIEDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)s1 ZINC000460838909 873726853 /nfs/dbraw/zinc/72/68/53/873726853.db2.gz HSDKDCTYFGFQBF-UHFFFAOYSA-N -1 0 415.334 4.279 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(COCCc2ccccc2)c1 ZINC000463525174 876594922 /nfs/dbraw/zinc/59/49/22/876594922.db2.gz KUUZNAKTVFVBHO-UHFFFAOYSA-N -1 0 422.506 4.127 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OCc2ccc(F)cc2)c1 ZINC000463530861 876607630 /nfs/dbraw/zinc/60/76/30/876607630.db2.gz FKRNXUUNKOBEBG-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1C(C)C ZINC000463799991 876917827 /nfs/dbraw/zinc/91/78/27/876917827.db2.gz PMXIGUCAIZYQPA-UHFFFAOYSA-N -1 0 409.305 4.254 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000469025197 883092273 /nfs/dbraw/zinc/09/22/73/883092273.db2.gz QUSYUKSYYQNKMK-UHFFFAOYSA-N -1 0 414.712 4.207 20 30 HIEDRM CSc1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1-c1ccccc1 ZINC000464467261 877688947 /nfs/dbraw/zinc/68/89/47/877688947.db2.gz MQYAAPUOUBMWCF-CQSZACIVSA-N -1 0 402.401 4.498 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(OC)cc1 ZINC000464471013 877693166 /nfs/dbraw/zinc/69/31/66/877693166.db2.gz XDVOJANVCFJMGH-MRXNPFEDSA-N -1 0 414.387 4.347 20 30 HIEDRM C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000464570523 877790976 /nfs/dbraw/zinc/79/09/76/877790976.db2.gz OSVSYYCHFJQGTC-MRXNPFEDSA-N -1 0 402.516 4.345 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3cnc(C4CC4)o3)cc2)c(F)c1 ZINC000466354256 880111773 /nfs/dbraw/zinc/11/17/73/880111773.db2.gz YASMEXWSVSDVOS-UHFFFAOYSA-N -1 0 401.394 4.170 20 30 HIEDRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2)n[nH]1 ZINC000469351403 883471428 /nfs/dbraw/zinc/47/14/28/883471428.db2.gz XRCLMWZZTQOVQY-UHFFFAOYSA-N -1 0 422.388 4.202 20 30 HIEDRM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2n[nH]nc21 ZINC000503662222 912766291 /nfs/dbraw/zinc/76/62/91/912766291.db2.gz GEPAPLSPWOZDTK-UHFFFAOYSA-N -1 0 403.392 4.263 20 30 HIEDRM C=CCCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000469887870 884079935 /nfs/dbraw/zinc/07/99/35/884079935.db2.gz FASIAHJWGZHKBC-UHFFFAOYSA-N -1 0 413.326 4.442 20 30 HIEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000469988253 884204252 /nfs/dbraw/zinc/20/42/52/884204252.db2.gz AZYVGYMNQCZTGV-UHFFFAOYSA-N -1 0 405.863 4.273 20 30 HIEDRM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cn2)cc1 ZINC000504019728 912923916 /nfs/dbraw/zinc/92/39/16/912923916.db2.gz HBKWFBWIZHZXIU-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1cc(C)ccc1C ZINC000504042133 912950497 /nfs/dbraw/zinc/95/04/97/912950497.db2.gz LDBQIPWRTWLJPT-UHFFFAOYSA-N -1 0 400.891 4.123 20 30 HIEDRM Cc1cc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)cc(C(=O)[O-])c1C ZINC000471121230 885657311 /nfs/dbraw/zinc/65/73/11/885657311.db2.gz GWHSKBIKYDDBOM-LBPRGKRZSA-N -1 0 404.513 4.054 20 30 HIEDRM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000471944505 886747238 /nfs/dbraw/zinc/74/72/38/886747238.db2.gz SDHLGZFFUOQIMC-GFCCVEGCSA-N -1 0 422.503 4.116 20 30 HIEDRM Cc1c(I)cccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000472381050 887224417 /nfs/dbraw/zinc/22/44/17/887224417.db2.gz AXPUVHZCQJKGQK-LBPRGKRZSA-N -1 0 402.191 4.231 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)nn1CCC#N ZINC000504264993 913125653 /nfs/dbraw/zinc/12/56/53/913125653.db2.gz BIOBFMMCBBJXDX-UHFFFAOYSA-N -1 0 416.890 4.352 20 30 HIEDRM COCCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(Cl)c1 ZINC000473490983 888211750 /nfs/dbraw/zinc/21/17/50/888211750.db2.gz PPPTXTMRUWXENX-MRXNPFEDSA-N -1 0 413.886 4.374 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)s[n-]1 ZINC000473839164 888678782 /nfs/dbraw/zinc/67/87/82/888678782.db2.gz YVYXEULXXNWRJN-UHFFFAOYSA-N -1 0 407.524 4.190 20 30 HIEDRM CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000504545857 913323280 /nfs/dbraw/zinc/32/32/80/913323280.db2.gz CMTUOPNMBCRSAD-IBGZPJMESA-N -1 0 421.906 4.028 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3ccc(OC)cc32)n1 ZINC000504561879 913333576 /nfs/dbraw/zinc/33/35/76/913333576.db2.gz WHDPWTQAFUYCIU-MRXNPFEDSA-N -1 0 421.478 4.244 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1ccc(F)c(Cl)c1 ZINC000474423954 889287730 /nfs/dbraw/zinc/28/77/30/889287730.db2.gz ANYGSIGCHDCLFQ-GFCCVEGCSA-N -1 0 403.870 4.438 20 30 HIEDRM Cc1cc(C)nc(-n2cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c(C(C)C)n2)n1 ZINC000474426032 889291349 /nfs/dbraw/zinc/29/13/49/889291349.db2.gz JHCMSBHYEPEDQQ-HNNXBMFYSA-N -1 0 408.531 4.473 20 30 HIEDRM COCc1nc2sc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c(C)c2c(OC)n1 ZINC000474443414 889308854 /nfs/dbraw/zinc/30/88/54/889308854.db2.gz DFHFURHGTBXCKK-LLVKDONJSA-N -1 0 416.528 4.225 20 30 HIEDRM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N)c1ccccc1 ZINC000475807176 890741248 /nfs/dbraw/zinc/74/12/48/890741248.db2.gz CNEWPNAPVAYACX-QGZVFWFLSA-N -1 0 419.506 4.044 20 30 HIEDRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000476439955 891352329 /nfs/dbraw/zinc/35/23/29/891352329.db2.gz WPLZCXBMDLGKKG-AWEZNQCLSA-N -1 0 418.540 4.285 20 30 HIEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000476542730 891457451 /nfs/dbraw/zinc/45/74/51/891457451.db2.gz JFMVOLJUZDSPLM-UHFFFAOYSA-N -1 0 419.572 4.152 20 30 HIEDRM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000477871189 892929452 /nfs/dbraw/zinc/92/94/52/892929452.db2.gz CVLOPZVAFNLVJI-CQSZACIVSA-N -1 0 415.400 4.239 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000479491587 894811919 /nfs/dbraw/zinc/81/19/19/894811919.db2.gz TUVRSFSDCFLVDV-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)c1 ZINC000479499120 894817219 /nfs/dbraw/zinc/81/72/19/894817219.db2.gz NCUHHVQNOVHVMJ-UHFFFAOYSA-N -1 0 422.959 4.425 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000479524614 894833951 /nfs/dbraw/zinc/83/39/51/894833951.db2.gz HKCFKDNZWASHIQ-UHFFFAOYSA-N -1 0 420.490 4.401 20 30 HIEDRM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1F ZINC000479534031 894839669 /nfs/dbraw/zinc/83/96/69/894839669.db2.gz CEUAQWQJOVGYNW-UHFFFAOYSA-N -1 0 400.834 4.468 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)c(F)c1 ZINC000480240665 895649105 /nfs/dbraw/zinc/64/91/05/895649105.db2.gz LQANYMAUAFSTKR-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1Cl ZINC000481978255 897372509 /nfs/dbraw/zinc/37/25/09/897372509.db2.gz CNFPGQIFKAAFRH-LBPRGKRZSA-N -1 0 423.947 4.493 20 30 HIEDRM N#CC(=C([O-])c1nc(-c2cccs2)n(-c2ccccc2)n1)c1cnc2ccccc2n1 ZINC000483195154 898852326 /nfs/dbraw/zinc/85/23/26/898852326.db2.gz JLBQJTVOAILONT-MRXNPFEDSA-N -1 0 422.473 4.429 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc(Br)cc2)c1)c1cnc2ccccc2n1 ZINC000483199469 898854661 /nfs/dbraw/zinc/85/46/61/898854661.db2.gz JLMKACQGSYJAGN-INIZCTEOSA-N -1 0 418.254 4.068 20 30 HIEDRM N#CC(=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1cnc2ccccc2n1 ZINC000483236964 898881412 /nfs/dbraw/zinc/88/14/12/898881412.db2.gz YIQSFYHXUYURRG-CQSZACIVSA-N -1 0 414.856 4.231 20 30 HIEDRM Cc1cc(C)nc(-n2cc(C([O-])=C(C#N)c3nccc4ccccc43)c(C(C)C)n2)n1 ZINC000483244246 898886530 /nfs/dbraw/zinc/88/65/30/898886530.db2.gz WTGAONCJLDZOLO-IBGZPJMESA-N -1 0 410.481 4.441 20 30 HIEDRM Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1c(Cl)cccc1Cl ZINC000484189596 899804775 /nfs/dbraw/zinc/80/47/75/899804775.db2.gz CSUCAHWLXFHPHF-NSHDSACASA-N -1 0 411.252 4.249 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1C#N ZINC000484443655 899947930 /nfs/dbraw/zinc/94/79/30/899947930.db2.gz UTLSSJSGZIXQBQ-LLVKDONJSA-N -1 0 402.545 4.241 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-c4ncn(C)n4)cc3)n2)cc1 ZINC000505716867 914398427 /nfs/dbraw/zinc/39/84/27/914398427.db2.gz NAQIKQPKTLMJJI-GOSISDBHSA-N -1 0 415.478 4.104 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(-c3ccc(F)c(F)c3)n2)n1 ZINC000505723979 914403709 /nfs/dbraw/zinc/40/37/09/914403709.db2.gz WNZAHEMABGIAMK-JTQLQIEISA-N -1 0 419.434 4.212 20 30 HIEDRM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000485392193 900688403 /nfs/dbraw/zinc/68/84/03/900688403.db2.gz XOWZGMSFVUGBSS-UHFFFAOYSA-N -1 0 423.281 4.192 20 30 HIEDRM C=CCOc1ccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1OC ZINC000486410012 901569083 /nfs/dbraw/zinc/56/90/83/901569083.db2.gz ROJBICUVZQOGJM-OAQYLSRUSA-N -1 0 419.477 4.087 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000488221973 902701181 /nfs/dbraw/zinc/70/11/81/902701181.db2.gz QEGSORLXYAYFEY-HNNXBMFYSA-N -1 0 423.918 4.121 20 30 HIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488280929 902743615 /nfs/dbraw/zinc/74/36/15/902743615.db2.gz MDXDCIXRYDHVMQ-KRWDZBQOSA-N -1 0 420.918 4.269 20 30 HIEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488326955 902766359 /nfs/dbraw/zinc/76/63/59/902766359.db2.gz LUMHJKUXUGFWEQ-UHFFFAOYSA-N -1 0 424.478 4.177 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(-c2ccccc2)cs1 ZINC000490742731 904201973 /nfs/dbraw/zinc/20/19/73/904201973.db2.gz FHGDOMHJFLPIOI-OAHLLOKOSA-N -1 0 415.434 4.394 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1-c1nc(C)cc(C)n1 ZINC000490743833 904203549 /nfs/dbraw/zinc/20/35/49/904203549.db2.gz IDXSUGHLOWDHFW-QGZVFWFLSA-N -1 0 414.494 4.201 20 30 HIEDRM COCCc1nnc(-c2cccc(C([O-])=C(C#N)c3nc4ccccc4s3)c2)o1 ZINC000496129409 906612477 /nfs/dbraw/zinc/61/24/77/906612477.db2.gz MMCSQSKUNLYOQT-HNNXBMFYSA-N -1 0 404.451 4.025 20 30 HIEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c[nH]1 ZINC000496225717 906632651 /nfs/dbraw/zinc/63/26/51/906632651.db2.gz MQCYLWAGOZYVEJ-UTQJESMHSA-N -1 0 409.511 4.216 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000512827734 921332981 /nfs/dbraw/zinc/33/29/81/921332981.db2.gz NRUFVKLOACRQDO-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM N#CC(=C([O-])c1ccc(OCC(F)(F)F)nc1)c1nc(-c2ccncc2)cs1 ZINC000512943688 921429734 /nfs/dbraw/zinc/42/97/34/921429734.db2.gz SAJWLHHVVJMCQO-CYBMUJFWSA-N -1 0 404.373 4.031 20 30 HIEDRM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000512963512 921441545 /nfs/dbraw/zinc/44/15/45/921441545.db2.gz FSTOQXUGCKSPHC-INIZCTEOSA-N -1 0 415.478 4.198 20 30 HIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000499516872 908825808 /nfs/dbraw/zinc/82/58/08/908825808.db2.gz HFXWXVQPBKPMEE-UHFFFAOYSA-N -1 0 405.888 4.145 20 30 HIEDRM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)s2)c(F)c1 ZINC000500027191 909483445 /nfs/dbraw/zinc/48/34/45/909483445.db2.gz UDMWQQHUWYIXQN-CQSZACIVSA-N -1 0 421.457 4.336 20 30 HIEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 ZINC000500468288 909876183 /nfs/dbraw/zinc/87/61/83/909876183.db2.gz YERDHVFVLYGQEM-SNVBAGLBSA-N -1 0 424.475 4.043 20 30 HIEDRM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000502777573 911801478 /nfs/dbraw/zinc/80/14/78/911801478.db2.gz MUQFZTIPXOSLFK-AWEZNQCLSA-N -1 0 417.918 4.027 20 30 HIEDRM CCOc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(C(F)(F)F)c1 ZINC000506705125 915381415 /nfs/dbraw/zinc/38/14/15/915381415.db2.gz ACJPRXGVPIRQPL-UHFFFAOYSA-N -1 0 417.302 4.461 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000507019493 915826370 /nfs/dbraw/zinc/82/63/70/915826370.db2.gz GJDCHZIWRATUBE-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM C=CCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000508467679 917251723 /nfs/dbraw/zinc/25/17/23/917251723.db2.gz ZBEKGRXJFGWNMD-UHFFFAOYSA-N -1 0 412.906 4.131 20 30 HIEDRM CCOc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c2ccccc12 ZINC000509253658 917947020 /nfs/dbraw/zinc/94/70/20/917947020.db2.gz INOVUYNTRALRBJ-UHFFFAOYSA-N -1 0 410.499 4.223 20 30 HIEDRM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccccc1)c1c(F)c(F)cc(F)c1F ZINC000510003473 918586450 /nfs/dbraw/zinc/58/64/50/918586450.db2.gz BSQAIEJGNPSUPF-LLVKDONJSA-N -1 0 401.303 4.215 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000511729430 920397406 /nfs/dbraw/zinc/39/74/06/920397406.db2.gz LTWNUSAVOVZAIK-UHFFFAOYSA-N -1 0 402.697 4.468 20 30 HIEDRM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3nc(C(=O)OCC)cs3)c12 ZINC000511741830 920417340 /nfs/dbraw/zinc/41/73/40/920417340.db2.gz OJMVXAZEVRSLGC-CYBMUJFWSA-N -1 0 424.482 4.176 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c3O[C@@H](C)C(=O)N4)n2)cc1 ZINC000511757087 920437271 /nfs/dbraw/zinc/43/72/71/920437271.db2.gz NZAAYOKEVMXZSU-BBRMVZONSA-N -1 0 403.463 4.328 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CSc4cc(C#N)ccn4)nc(=O)c3s2)cc1 ZINC000515289711 923037430 /nfs/dbraw/zinc/03/74/30/923037430.db2.gz SGTXCDRVYPDXBS-UHFFFAOYSA-N -1 0 406.492 4.219 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nnn1-c1cccc(Cl)c1 ZINC000516332316 923670304 /nfs/dbraw/zinc/67/03/04/923670304.db2.gz QFPVSVHPFUOOPD-MRXNPFEDSA-N -1 0 420.885 4.238 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2F)sc1Cc1ccc(F)cc1F ZINC000516536098 923784593 /nfs/dbraw/zinc/78/45/93/923784593.db2.gz ONKBQPSBHYEBQZ-UHFFFAOYSA-N -1 0 423.441 4.132 20 30 HIEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] ZINC000516713583 923858546 /nfs/dbraw/zinc/85/85/46/923858546.db2.gz WTDPDDRNYXBAGA-HNNXBMFYSA-N -1 0 404.407 4.089 20 30 HIEDRM Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000516805986 923895141 /nfs/dbraw/zinc/89/51/41/923895141.db2.gz IGAMEPSEXFJDQV-UHFFFAOYSA-N -1 0 415.858 4.166 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc(Cl)c1 ZINC000517305850 924091537 /nfs/dbraw/zinc/09/15/37/924091537.db2.gz HNEAHKNSXWTUQE-AWEZNQCLSA-N -1 0 405.767 4.133 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c2cccnc12 ZINC000518111876 927025732 /nfs/dbraw/zinc/02/57/32/927025732.db2.gz BCXQDBCUHWVKKF-CQSZACIVSA-N -1 0 413.524 4.296 20 30 HIEDRM Cn1cc(-c2nc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cn1 ZINC000518516706 927321217 /nfs/dbraw/zinc/32/12/17/927321217.db2.gz SZHKMCFWXAQQDT-HNNXBMFYSA-N -1 0 416.491 4.029 20 30 HIEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC000519993676 928220380 /nfs/dbraw/zinc/22/03/80/928220380.db2.gz HOJCUKKFLSAHEQ-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccccc2)cs1 ZINC000520911980 928870735 /nfs/dbraw/zinc/87/07/35/928870735.db2.gz UQEJJFDZMJZJOR-QGZVFWFLSA-N -1 0 415.434 4.394 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2Cl)s1 ZINC000524725600 929811721 /nfs/dbraw/zinc/81/17/21/929811721.db2.gz CLRRBUNYBMNARJ-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])cn2)c1C ZINC000524966686 929931298 /nfs/dbraw/zinc/93/12/98/929931298.db2.gz VETPKDCOZSXAKH-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3sccc3Br)cs2)cc1[O-] ZINC000526953309 930557112 /nfs/dbraw/zinc/55/71/12/930557112.db2.gz QBYKOHIAIGAZEL-UHFFFAOYSA-N -1 0 406.286 4.464 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCCc3ccccc32)ccc1Cl ZINC000527503383 930670713 /nfs/dbraw/zinc/67/07/13/930670713.db2.gz AKWBMNJCXDQCJK-IBGZPJMESA-N -1 0 412.902 4.135 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)c(F)c1 ZINC000532318532 931395926 /nfs/dbraw/zinc/39/59/26/931395926.db2.gz WXCWFPRHYFSNTB-UHFFFAOYSA-N -1 0 407.426 4.230 20 30 HIEDRM N#Cc1ccccc1Sc1ccccc1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000533725515 931991893 /nfs/dbraw/zinc/99/18/93/931991893.db2.gz PZUOFHTVNWHPOQ-UHFFFAOYSA-N -1 0 415.503 4.297 20 30 HIEDRM N#Cc1ccccc1Sc1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1 ZINC000533726200 931992682 /nfs/dbraw/zinc/99/26/82/931992682.db2.gz DCVSWYKXRZGRMY-UHFFFAOYSA-N -1 0 415.503 4.297 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccn1 ZINC000533956171 932131271 /nfs/dbraw/zinc/13/12/71/932131271.db2.gz HTPWRPBXAMTHOK-CYBMUJFWSA-N -1 0 406.396 4.065 20 30 HIEDRM C=C(C)[C@@H](CC(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1)OCC ZINC000534466768 932485351 /nfs/dbraw/zinc/48/53/51/932485351.db2.gz VKISRZAXMIXMSY-MAUKXSAKSA-N -1 0 422.572 4.097 20 30 HIEDRM Cc1cc(C(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c(C)n1-c1nccs1 ZINC000535361340 933091879 /nfs/dbraw/zinc/09/18/79/933091879.db2.gz RLKMBFYNXXNGRO-UHFFFAOYSA-N -1 0 411.531 4.089 20 30 HIEDRM C=CCOc1c(Br)cc(/C=C\c2cc(C(=O)[O-])ncn2)cc1OCC ZINC000535593516 933259961 /nfs/dbraw/zinc/25/99/61/933259961.db2.gz GSZMKZDTUIEJTJ-WAYWQWQTSA-N -1 0 405.248 4.071 20 30 HIEDRM N#Cc1ccccc1OCc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000537547269 938320058 /nfs/dbraw/zinc/32/00/58/938320058.db2.gz JQOUXYYWQHMBOK-UHFFFAOYSA-N -1 0 413.773 4.250 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)c1 ZINC000537999768 938457371 /nfs/dbraw/zinc/45/73/71/938457371.db2.gz FSCOKFPBSZHWIO-UHFFFAOYSA-N -1 0 420.313 4.245 20 30 HIEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC ZINC000776688447 939105584 /nfs/dbraw/zinc/10/55/84/939105584.db2.gz ODOCWGMEFCBQPM-MVHVFESUSA-N -1 0 419.836 4.008 20 30 HIEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3F)n2)s1 ZINC000541085046 939454301 /nfs/dbraw/zinc/45/43/01/939454301.db2.gz VTAYGWYEKKGWCC-UHFFFAOYSA-N -1 0 404.492 4.043 20 30 HIEDRM Cc1nn(-c2ccccc2)c2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccc12 ZINC000541198546 939485319 /nfs/dbraw/zinc/48/53/19/939485319.db2.gz ODOCARVBUWESAD-SFHVURJKSA-N -1 0 406.449 4.106 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1cccc(F)c1 ZINC000541306793 939490437 /nfs/dbraw/zinc/49/04/37/939490437.db2.gz QOPNWPUVMSROMX-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM N#Cc1ccc(Oc2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2)nc1 ZINC000544663743 940499992 /nfs/dbraw/zinc/49/99/92/940499992.db2.gz HYNDUUGYTIAPGH-UHFFFAOYSA-N -1 0 410.773 4.265 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(F)c(F)c3F)s2)c(Cl)c1 ZINC000545148305 940551089 /nfs/dbraw/zinc/55/10/89/940551089.db2.gz JVEOIVLJZAEJPD-UHFFFAOYSA-N -1 0 403.794 4.039 20 30 HIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3ccncn3)c3cnn(C(C)C)c3n2)s1 ZINC000546858744 940896768 /nfs/dbraw/zinc/89/67/68/940896768.db2.gz GFJWZIYJJTZQMT-HNNXBMFYSA-N -1 0 402.483 4.329 20 30 HIEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000547956107 941080604 /nfs/dbraw/zinc/08/06/04/941080604.db2.gz VPWLZGQCJVDYEL-UHFFFAOYSA-N -1 0 423.885 4.055 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)cc1 ZINC000548611529 941114801 /nfs/dbraw/zinc/11/48/01/941114801.db2.gz GXNNOTFPAPFIDF-UHFFFAOYSA-N -1 0 421.522 4.158 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3coc(C4CCOCC4)n3)n2)cc1 ZINC000549412372 941187304 /nfs/dbraw/zinc/18/73/04/941187304.db2.gz UPPCRWSXMHDFDL-MRXNPFEDSA-N -1 0 409.467 4.191 20 30 HIEDRM C[C@H](Sc1ccccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1)C(N)=O ZINC000555075917 942377975 /nfs/dbraw/zinc/37/79/75/942377975.db2.gz CPBMLGISCCLNHJ-GWCFXTLKSA-N -1 0 415.927 4.406 20 30 HIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc([N+](=O)[O-])cc(Br)c3C)nc21 ZINC000556555557 942897943 /nfs/dbraw/zinc/89/79/43/942897943.db2.gz XWQJBYVTPNTMDX-ZDUSSCGKSA-N -1 0 413.231 4.341 20 30 HIEDRM N#CCc1ccc(Oc2ccc(C(=O)Nc3cccc(-c4n[nH]c(=O)[n-]4)c3)cc2)cc1 ZINC000557085956 943016870 /nfs/dbraw/zinc/01/68/70/943016870.db2.gz AFEVHWKUJHBAAC-UHFFFAOYSA-N -1 0 411.421 4.288 20 30 HIEDRM N#CCCSc1ccccc1NC(=O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000559941743 944093722 /nfs/dbraw/zinc/09/37/22/944093722.db2.gz FONVDHUJQWQGFC-UHFFFAOYSA-N -1 0 410.282 4.282 20 30 HIEDRM O=S(=O)(CCC(F)(F)F)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000567185316 946262814 /nfs/dbraw/zinc/26/28/14/946262814.db2.gz RLDFCCDLWICYFG-VIFPVBQESA-N -1 0 403.266 4.181 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1F ZINC000568971407 946785731 /nfs/dbraw/zinc/78/57/31/946785731.db2.gz PKXPXSXNYVKOLI-UHFFFAOYSA-N -1 0 407.623 4.053 20 30 HIEDRM COc1cccc(-c2nc(=NC(=O)c3sc4ccc(C#N)cc4c3C)s[n-]2)c1 ZINC000571219901 947552862 /nfs/dbraw/zinc/55/28/62/947552862.db2.gz BVUTZUAKENRGOC-UHFFFAOYSA-N -1 0 406.492 4.283 20 30 HIEDRM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000572624022 947959118 /nfs/dbraw/zinc/95/91/18/947959118.db2.gz PALLWAPKKWFXMP-GFCCVEGCSA-N -1 0 424.931 4.179 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3C#N)n2)ccc1C(F)(F)F ZINC000573616750 948252002 /nfs/dbraw/zinc/25/20/02/948252002.db2.gz XDQIASZLZIEFOU-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(Br)c2)s1 ZINC000573903822 948325567 /nfs/dbraw/zinc/32/55/67/948325567.db2.gz PMZFOVLYXIQFDA-UHFFFAOYSA-N -1 0 411.224 4.202 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(C#N)c2)ccc1F ZINC000006146611 845178234 /nfs/dbraw/zinc/17/82/34/845178234.db2.gz CUZXAOIOTYEGAW-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM COc1cccc(NC(=O)/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)c2ccccc2)c1 ZINC000008322971 845512881 /nfs/dbraw/zinc/51/28/81/845512881.db2.gz CGAGLELEJRHBEG-KGENOOAVSA-N -1 0 401.418 4.298 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2[n-]c1=S ZINC000022737689 846612567 /nfs/dbraw/zinc/61/25/67/846612567.db2.gz VYGGOGSDLUQYNN-UHFFFAOYSA-N -1 0 405.401 4.142 20 30 HIEDRM COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)c([N+](=O)[O-])cc1OC ZINC000026763105 847194553 /nfs/dbraw/zinc/19/45/53/847194553.db2.gz RSQXAOHMNOTPGP-BQYQJAHWSA-N -1 0 423.377 4.466 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1C#N ZINC000027608681 847327529 /nfs/dbraw/zinc/32/75/29/847327529.db2.gz HXQGSOFAYIHAPX-UHFFFAOYSA-N -1 0 409.442 4.242 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nc4ccc(C)cc4s3)cc2[n-]c1=S ZINC000028814235 847464817 /nfs/dbraw/zinc/46/48/17/847464817.db2.gz DTFVTJXEGXRNHF-UHFFFAOYSA-N -1 0 408.508 4.042 20 30 HIEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000029329405 847546581 /nfs/dbraw/zinc/54/65/81/847546581.db2.gz IDHSMTSMYYNHRM-UHFFFAOYSA-N -1 0 400.287 4.102 20 30 HIEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 ZINC000041514153 848224687 /nfs/dbraw/zinc/22/46/87/848224687.db2.gz PEBGKUPSOUDHPV-LBPRGKRZSA-N -1 0 402.888 4.368 20 30 HIEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000436662783 861886840 /nfs/dbraw/zinc/88/68/40/861886840.db2.gz KBZASYWVYMUYHG-PSLIRLAXSA-N -1 0 416.113 4.119 20 30 HIEDRM COc1ccc(-c2nc(SCc3csc(C(C)(C)C)n3)[n-]c(=O)c2C#N)cc1 ZINC000048271930 849201314 /nfs/dbraw/zinc/20/13/14/849201314.db2.gz OWDOYRHSSVVBNN-UHFFFAOYSA-N -1 0 412.540 4.363 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000048789034 849269106 /nfs/dbraw/zinc/26/91/06/849269106.db2.gz LCZGMCZUSZJQRA-IBGZPJMESA-N -1 0 410.520 4.224 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccc(Br)cc1 ZINC000048788936 849269569 /nfs/dbraw/zinc/26/95/69/849269569.db2.gz VOEHRSNCHJUAQZ-AWEZNQCLSA-N -1 0 415.316 4.452 20 30 HIEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(F)cc(Cl)c3[O-])ccc21 ZINC000436863189 862041163 /nfs/dbraw/zinc/04/11/63/862041163.db2.gz JIPOFDGRGFNYJB-UHFFFAOYSA-N -1 0 401.825 4.020 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3c[nH]c(C(=O)N4CCCC4)c3)n2)cc1 ZINC000054461792 849871625 /nfs/dbraw/zinc/87/16/25/849871625.db2.gz LAMFITYGSUMKRR-KRWDZBQOSA-N -1 0 404.495 4.173 20 30 HIEDRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055594881 850071910 /nfs/dbraw/zinc/07/19/10/850071910.db2.gz NXTZMILSQLCJQR-UHFFFAOYSA-N -1 0 411.405 4.035 20 30 HIEDRM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000055648349 850093787 /nfs/dbraw/zinc/09/37/87/850093787.db2.gz WVSKREBLEGRHDJ-CQSZACIVSA-N -1 0 417.918 4.027 20 30 HIEDRM N#CC1(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)CCCCC1 ZINC000057434047 850637851 /nfs/dbraw/zinc/63/78/51/850637851.db2.gz YKHRKRRKGMJRGP-UHFFFAOYSA-N -1 0 407.492 4.101 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)CSCc2cc(-c3cccs3)on2)c1 ZINC000061067215 851286288 /nfs/dbraw/zinc/28/62/88/851286288.db2.gz DZOPWPPWWVPLNR-UHFFFAOYSA-N -1 0 408.526 4.290 20 30 HIEDRM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000062930369 851607600 /nfs/dbraw/zinc/60/76/00/851607600.db2.gz NLCNAMSMSAODTK-UHFFFAOYSA-N -1 0 415.298 4.081 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CCCCOc2cc(C)ccc2C)cc1 ZINC000063234031 851637416 /nfs/dbraw/zinc/63/74/16/851637416.db2.gz HXJILQAWNMOVSC-UHFFFAOYSA-N -1 0 418.515 4.156 20 30 HIEDRM COc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000064715054 851964405 /nfs/dbraw/zinc/96/44/05/851964405.db2.gz QWOCHHWQVAZRMB-LBPRGKRZSA-N -1 0 415.377 4.495 20 30 HIEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000066003016 852351712 /nfs/dbraw/zinc/35/17/12/852351712.db2.gz SYDZXJNEUPYXLM-UHFFFAOYSA-N -1 0 419.499 4.051 20 30 HIEDRM C=C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000111075231 853198065 /nfs/dbraw/zinc/19/80/65/853198065.db2.gz NLNQIEIXMCFILI-UHFFFAOYSA-N -1 0 408.882 4.072 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000216006284 853842503 /nfs/dbraw/zinc/84/25/03/853842503.db2.gz OXUKHNGMHLTUHQ-CQSZACIVSA-N -1 0 403.423 4.095 20 30 HIEDRM Cc1noc(C)c1CSCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237650782 854068012 /nfs/dbraw/zinc/06/80/12/854068012.db2.gz BMEKVPMIBIQPQQ-UHFFFAOYSA-N -1 0 420.490 4.261 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c(Br)c1 ZINC000324869050 855400761 /nfs/dbraw/zinc/40/07/61/855400761.db2.gz IHVOSGLJLJIPIC-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)c(Cl)c1 ZINC000326223638 855407234 /nfs/dbraw/zinc/40/72/34/855407234.db2.gz OSNRDHXZNZCVEA-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2)sc1Cc1ccccc1Cl ZINC000409513708 855517253 /nfs/dbraw/zinc/51/72/53/855517253.db2.gz NTNFPQNNUCPZNF-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)ccc1Cl ZINC000410363225 855951921 /nfs/dbraw/zinc/95/19/21/855951921.db2.gz FVQGWFCJVFJDFM-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM N#CC(=C([O-])c1ccc(Sc2ccccc2Cl)nn1)c1nnc2n1CCCCC2 ZINC000426181663 856159979 /nfs/dbraw/zinc/15/99/79/856159979.db2.gz CQLRNHZDNVLVQP-CYBMUJFWSA-N -1 0 424.917 4.089 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)nc2)cc1F ZINC000427198137 856708162 /nfs/dbraw/zinc/70/81/62/856708162.db2.gz NLGQWZSSABQQRT-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)sc1Cc1c(F)cccc1F ZINC000427751835 856938434 /nfs/dbraw/zinc/93/84/34/856938434.db2.gz IOTVHRBVWFHQAM-UHFFFAOYSA-N -1 0 423.441 4.132 20 30 HIEDRM C=CCCCS(=O)(=O)[N-]c1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000427773496 856948325 /nfs/dbraw/zinc/94/83/25/856948325.db2.gz JSGCUHRUKRSEPY-UHFFFAOYSA-N -1 0 415.462 4.332 20 30 HIEDRM Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)s2)c1 ZINC000431334240 858570241 /nfs/dbraw/zinc/57/02/41/858570241.db2.gz WWKBNLWJCPWIOA-UHFFFAOYSA-N -1 0 404.904 4.148 20 30 HIEDRM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)sc2c1 ZINC000432953677 859446458 /nfs/dbraw/zinc/44/64/58/859446458.db2.gz CCTHNSCAQSAYHO-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnnn3-c3cccc(F)c3)n2)cc1 ZINC000434631459 860440312 /nfs/dbraw/zinc/44/03/12/860440312.db2.gz WWDADQAWSRYYGT-KRWDZBQOSA-N -1 0 403.442 4.328 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2c(c1)nc1n2CCCCC1 ZINC000435196382 860690837 /nfs/dbraw/zinc/69/08/37/860690837.db2.gz MJRCWGJDDWKHLU-UHFFFAOYSA-N -1 0 400.891 4.089 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)sc1Br ZINC000435202247 860693431 /nfs/dbraw/zinc/69/34/31/860693431.db2.gz QTDWUJDAPYXBHF-UHFFFAOYSA-N -1 0 424.392 4.000 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)s1 ZINC000435427091 860796622 /nfs/dbraw/zinc/79/66/22/860796622.db2.gz LBGSJWFKJZEBSS-LBPRGKRZSA-N -1 0 414.352 4.220 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000438775287 864269754 /nfs/dbraw/zinc/26/97/54/864269754.db2.gz GWAWGZWNVDEMAQ-UHFFFAOYSA-N -1 0 408.323 4.483 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000438811949 864304349 /nfs/dbraw/zinc/30/43/49/864304349.db2.gz QKIHBQHTDPOCRJ-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cnn1-c1cccc(C#N)c1 ZINC000438849711 864345203 /nfs/dbraw/zinc/34/52/03/864345203.db2.gz SRWXBNAENZOJDI-UHFFFAOYSA-N -1 0 423.473 4.118 20 30 HIEDRM CCn1cnc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 ZINC000439570117 864892907 /nfs/dbraw/zinc/89/29/07/864892907.db2.gz LHOBXUZQJOMESO-QGZVFWFLSA-N -1 0 400.891 4.013 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)cc2C)c1C#N ZINC000440822068 865938082 /nfs/dbraw/zinc/93/80/82/865938082.db2.gz CRKROBWDVYZFLH-UHFFFAOYSA-N -1 0 417.490 4.427 20 30 HIEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1Cl ZINC000440824756 865939134 /nfs/dbraw/zinc/93/91/34/865939134.db2.gz PQQBXIXVRLEFIW-GFCCVEGCSA-N -1 0 424.931 4.179 20 30 HIEDRM C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000442898635 867728633 /nfs/dbraw/zinc/72/86/33/867728633.db2.gz JPSJLCKTSLDKSD-NRFANRHFSA-N -1 0 418.515 4.045 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1[O-] ZINC000442965689 867766786 /nfs/dbraw/zinc/76/67/86/867766786.db2.gz KYEWKFFAZUWYLA-UHFFFAOYSA-N -1 0 414.284 4.326 20 30 HIEDRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n1 ZINC000443408207 867989037 /nfs/dbraw/zinc/98/90/37/867989037.db2.gz SBVDLOZPQMEDRJ-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM C=CCCc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000443415850 867999543 /nfs/dbraw/zinc/99/95/43/867999543.db2.gz GYVDVWPIBYXIGT-UHFFFAOYSA-N -1 0 410.289 4.067 20 30 HIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000443417943 868001974 /nfs/dbraw/zinc/00/19/74/868001974.db2.gz MWESKFSZZDSLOP-UHFFFAOYSA-N -1 0 420.600 4.372 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000443532659 868090699 /nfs/dbraw/zinc/09/06/99/868090699.db2.gz STXROJMIFHGSTG-UHFFFAOYSA-N -1 0 422.787 4.483 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1OCCC(F)(F)F ZINC000443536313 868095230 /nfs/dbraw/zinc/09/52/30/868095230.db2.gz YQKRMRGNXZBBLS-UHFFFAOYSA-N -1 0 402.369 4.138 20 30 HIEDRM Cc1ccccc1[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000443994451 868515762 /nfs/dbraw/zinc/51/57/62/868515762.db2.gz SMBOEHYGZGGRKV-OAHLLOKOSA-N -1 0 404.360 4.117 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CN(CCC#N)CCC(C)C)nc(=O)c3s2)cc1 ZINC000444220275 868672900 /nfs/dbraw/zinc/67/29/00/868672900.db2.gz BKGYNKSJJLNZRP-UHFFFAOYSA-N -1 0 410.543 4.422 20 30 HIEDRM N#Cc1ccc(CSc2nnc([N-]C(=O)c3c(F)cc(C#N)cc3F)s2)cc1 ZINC000445676055 869744597 /nfs/dbraw/zinc/74/45/97/869744597.db2.gz MUOVXYUHRUAFGS-UHFFFAOYSA-N -1 0 413.434 4.104 20 30 HIEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)cc1 ZINC000446619912 870522011 /nfs/dbraw/zinc/52/20/11/870522011.db2.gz KSUJFLFFVSBCMZ-UHFFFAOYSA-N -1 0 406.529 4.161 20 30 HIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F ZINC000447523132 871389218 /nfs/dbraw/zinc/38/92/18/871389218.db2.gz KXDBETISLYADTH-INIZCTEOSA-N -1 0 404.426 4.269 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(OC)c3[N+](=O)[O-])n2)cc1 ZINC000447524094 871389561 /nfs/dbraw/zinc/38/95/61/871389561.db2.gz YKXHMWVDAWWZBY-HNNXBMFYSA-N -1 0 409.423 4.226 20 30 HIEDRM C=C(C)CN(CC)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C ZINC000448546122 872556776 /nfs/dbraw/zinc/55/67/76/872556776.db2.gz VEOJBJSZDSCTIY-UHFFFAOYSA-N -1 0 405.495 4.365 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)onc1C(F)(F)F ZINC000460577333 873312540 /nfs/dbraw/zinc/31/25/40/873312540.db2.gz SHIATJAIDSXWDQ-UHFFFAOYSA-N -1 0 422.278 4.094 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1SCC(F)F ZINC000463509633 876572420 /nfs/dbraw/zinc/57/24/20/876572420.db2.gz PWOQDTHZYQRHEX-UHFFFAOYSA-N -1 0 418.874 4.378 20 30 HIEDRM CC(C)c1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccccc1F ZINC000464408729 877613328 /nfs/dbraw/zinc/61/33/28/877613328.db2.gz RTGBDNLZSCZXGJ-ZDUSSCGKSA-N -1 0 417.366 4.434 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc(Cl)c1 ZINC000464463286 877685096 /nfs/dbraw/zinc/68/50/96/877685096.db2.gz FJURCBVSMGSJIO-CQSZACIVSA-N -1 0 419.794 4.387 20 30 HIEDRM CCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464468839 877691046 /nfs/dbraw/zinc/69/10/46/877691046.db2.gz QVFUYAIUUGDSHE-OAHLLOKOSA-N -1 0 400.360 4.175 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)sc1Br ZINC000464468230 877691287 /nfs/dbraw/zinc/69/12/87/877691287.db2.gz MVPGCMFRNAKNEJ-MRVPVSSYSA-N -1 0 405.195 4.423 20 30 HIEDRM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1nc(-c2ccncc2)cs1 ZINC000464504020 877726918 /nfs/dbraw/zinc/72/69/18/877726918.db2.gz AVWLPYRCVISYGD-GFCCVEGCSA-N -1 0 407.405 4.363 20 30 HIEDRM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1nc(-c2ccncc2)cs1 ZINC000464504021 877728699 /nfs/dbraw/zinc/72/86/99/877728699.db2.gz AVWLPYRCVISYGD-LBPRGKRZSA-N -1 0 407.405 4.363 20 30 HIEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000464506405 877730863 /nfs/dbraw/zinc/73/08/63/877730863.db2.gz KBAYWUILHAPGEJ-INIZCTEOSA-N -1 0 401.451 4.094 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc(F)cc2F)n1)c1nc2ccccc2n1C(F)F ZINC000464530822 877747587 /nfs/dbraw/zinc/74/75/87/877747587.db2.gz WFBXVVMYRMQABB-GFCCVEGCSA-N -1 0 413.334 4.385 20 30 HIEDRM Cc1cc(F)ccc1-n1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1 ZINC000503389644 912373306 /nfs/dbraw/zinc/37/33/06/912373306.db2.gz STFRAIAOLWPECH-ZDUSSCGKSA-N -1 0 411.849 4.468 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c(F)c1 ZINC000466344487 880101482 /nfs/dbraw/zinc/10/14/82/880101482.db2.gz BBDAZNWAHLVBKF-UHFFFAOYSA-N -1 0 416.434 4.013 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc(C#N)c2)n1)c1nc2cc(Cl)ccc2s1 ZINC000467195994 880924499 /nfs/dbraw/zinc/92/44/99/880924499.db2.gz PJECVSIVLZKHES-HNNXBMFYSA-N -1 0 403.854 4.497 20 30 HIEDRM N#CC(=C([O-])c1cn(Cc2cccc(F)c2)nn1)c1nc(-c2ccccc2)cs1 ZINC000469536151 883804396 /nfs/dbraw/zinc/80/43/96/883804396.db2.gz UZFPUPKSVRAMGD-KRWDZBQOSA-N -1 0 403.442 4.079 20 30 HIEDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000471110305 885644706 /nfs/dbraw/zinc/64/47/06/885644706.db2.gz ORWFZVDUJXINLH-UHFFFAOYSA-N -1 0 418.471 4.147 20 30 HIEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(Cl)c1 ZINC000471116691 885652785 /nfs/dbraw/zinc/65/27/85/885652785.db2.gz PBCIOOKCIRNYOK-UHFFFAOYSA-N -1 0 421.862 4.242 20 30 HIEDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000471133528 885672944 /nfs/dbraw/zinc/67/29/44/885672944.db2.gz PGJJTMNYQGAERZ-UHFFFAOYSA-N -1 0 400.481 4.008 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(COc3ccccc3C#N)o2)s[n-]1 ZINC000472282223 887099617 /nfs/dbraw/zinc/09/96/17/887099617.db2.gz VPIOXGIGBHMFRH-UHFFFAOYSA-N -1 0 422.491 4.293 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)sc1Cl ZINC000473470357 888194292 /nfs/dbraw/zinc/19/42/92/888194292.db2.gz KISDTUJWDHNZNO-UHFFFAOYSA-N -1 0 413.311 4.222 20 30 HIEDRM Cc1cc(C)nc(-n2cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c(C(C)C)n2)n1 ZINC000474426033 889290748 /nfs/dbraw/zinc/29/07/48/889290748.db2.gz JHCMSBHYEPEDQQ-OAHLLOKOSA-N -1 0 408.531 4.473 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n1 ZINC000474445767 889310942 /nfs/dbraw/zinc/31/09/42/889310942.db2.gz NGZNORGECUGVBC-LBPRGKRZSA-N -1 0 423.395 4.495 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000474452610 889319266 /nfs/dbraw/zinc/31/92/66/889319266.db2.gz ZXFNQXWFBPPRPS-HNNXBMFYSA-N -1 0 401.557 4.373 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(-c2nc(C3CC3)no2)c1 ZINC000476391066 891305735 /nfs/dbraw/zinc/30/57/35/891305735.db2.gz JNRCPJMQSSCJQQ-UHFFFAOYSA-N -1 0 414.874 4.248 20 30 HIEDRM Cn1ccnc1Sc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000476943895 891883286 /nfs/dbraw/zinc/88/32/86/891883286.db2.gz VVUMXHUEJWRLQV-UHFFFAOYSA-N -1 0 422.894 4.036 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)cc1C#N ZINC000476949926 891886454 /nfs/dbraw/zinc/88/64/54/891886454.db2.gz GQKRWJXADMPGDH-UHFFFAOYSA-N -1 0 403.454 4.244 20 30 HIEDRM C=CCC1(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)CCC1 ZINC000478223689 893385121 /nfs/dbraw/zinc/38/51/21/893385121.db2.gz HEPFDAUHCKYNCN-UHFFFAOYSA-N -1 0 414.527 4.489 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)cc1C#N ZINC000478438195 893743234 /nfs/dbraw/zinc/74/32/34/893743234.db2.gz KHDLTYOWQQUHHP-UHFFFAOYSA-N -1 0 401.919 4.228 20 30 HIEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)n1 ZINC000479158060 894427166 /nfs/dbraw/zinc/42/71/66/894427166.db2.gz OHVXYYZIHUKDAJ-UHFFFAOYSA-N -1 0 419.304 4.052 20 30 HIEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccc(Br)s1 ZINC000479286856 894566811 /nfs/dbraw/zinc/56/68/11/894566811.db2.gz PCWNXDMMUXLTDQ-UHFFFAOYSA-N -1 0 419.325 4.106 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)cc1C#N ZINC000479397850 894701780 /nfs/dbraw/zinc/70/17/80/894701780.db2.gz XQLGQEXSYSRCJE-UHFFFAOYSA-N -1 0 419.428 4.329 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000479489711 894810586 /nfs/dbraw/zinc/81/05/86/894810586.db2.gz NGNSJSULDIATEW-UHFFFAOYSA-N -1 0 417.918 4.075 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)c1 ZINC000479489166 894810811 /nfs/dbraw/zinc/81/08/11/894810811.db2.gz PAHSYIQGWLOWSU-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)nn1-c1ccccc1Cl ZINC000479506362 894821935 /nfs/dbraw/zinc/82/19/35/894821935.db2.gz XTHPLJMSMVYGRH-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccnn1Cc1cccc2ccccc21 ZINC000505287753 913946850 /nfs/dbraw/zinc/94/68/50/913946850.db2.gz OQEIELJLAUYCRK-UHFFFAOYSA-N -1 0 422.897 4.410 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1cccc(C)c1 ZINC000480247091 895658066 /nfs/dbraw/zinc/65/80/66/895658066.db2.gz LZBPVZXJOIZCPY-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc([N+](=O)[O-])c1C ZINC000482592470 898193261 /nfs/dbraw/zinc/19/32/61/898193261.db2.gz QXGRQGLVJOFLSM-MRXNPFEDSA-N -1 0 418.434 4.397 20 30 HIEDRM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483192160 898849842 /nfs/dbraw/zinc/84/98/42/898849842.db2.gz CJTLCWQGNJHCGC-ZDUSSCGKSA-N -1 0 402.435 4.335 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3onc(C(C)C)c32)n1 ZINC000505723007 914403753 /nfs/dbraw/zinc/40/37/53/914403753.db2.gz MCCKPSHSQFIABM-ZDUSSCGKSA-N -1 0 424.482 4.347 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485077576 900394760 /nfs/dbraw/zinc/39/47/60/900394760.db2.gz WYIVRVYTBAUIAM-UHFFFAOYSA-N -1 0 402.369 4.304 20 30 HIEDRM N#Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)ccc1Cl ZINC000485081308 900396275 /nfs/dbraw/zinc/39/62/75/900396275.db2.gz RSWXQIBRUHZLLX-UHFFFAOYSA-N -1 0 405.646 4.017 20 30 HIEDRM C=CCc1cc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cc(OC)c1OC ZINC000486059253 901254479 /nfs/dbraw/zinc/25/44/79/901254479.db2.gz MYDSWMINLMUQSI-UHFFFAOYSA-N -1 0 421.449 4.301 20 30 HIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488280931 902743331 /nfs/dbraw/zinc/74/33/31/902743331.db2.gz MDXDCIXRYDHVMQ-QGZVFWFLSA-N -1 0 420.918 4.269 20 30 HIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488294029 902755651 /nfs/dbraw/zinc/75/56/51/902755651.db2.gz KJIXIXAGWNAELM-KRWDZBQOSA-N -1 0 420.918 4.269 20 30 HIEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1[N+](=O)[O-] ZINC000491601397 904669453 /nfs/dbraw/zinc/66/94/53/904669453.db2.gz LLCHZWLUJXPQRP-AWEZNQCLSA-N -1 0 405.501 4.407 20 30 HIEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506213109 914847133 /nfs/dbraw/zinc/84/71/33/914847133.db2.gz AODADJUUJUCZSF-UHFFFAOYSA-N -1 0 403.394 4.312 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000493981275 905325605 /nfs/dbraw/zinc/32/56/05/905325605.db2.gz CJUVUODKCOPKIN-UHFFFAOYSA-N -1 0 405.366 4.225 20 30 HIEDRM CCn1cc(-c2nn(C)cc2C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cn1 ZINC000495138622 906265124 /nfs/dbraw/zinc/26/51/24/906265124.db2.gz NHOFUBDUCRZFRP-KRWDZBQOSA-N -1 0 416.510 4.226 20 30 HIEDRM CSc1ccc(-c2csc(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)n2)cc1 ZINC000497866732 907344846 /nfs/dbraw/zinc/34/48/46/907344846.db2.gz FEGCXJUXXAQFRJ-UHFFFAOYSA-N -1 0 414.537 4.478 20 30 HIEDRM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2NC1=O ZINC000512946779 921431775 /nfs/dbraw/zinc/43/17/75/921431775.db2.gz CYBXETJXOSRGLC-BXUZGUMPSA-N -1 0 406.492 4.128 20 30 HIEDRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000512964934 921440530 /nfs/dbraw/zinc/44/05/30/921440530.db2.gz XBHKUMNJQZQVMU-JEBQAFNWSA-N -1 0 402.479 4.290 20 30 HIEDRM COc1ccc(-n2cc([O-])c(C(=O)Nc3ccccc3S[C@H](C)CC#N)n2)cc1 ZINC000500008484 909460464 /nfs/dbraw/zinc/46/04/64/909460464.db2.gz PALMGIKCLXAMIH-CQSZACIVSA-N -1 0 408.483 4.233 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1 ZINC000501299661 910456198 /nfs/dbraw/zinc/45/61/98/910456198.db2.gz JZDPRLYRBWWTPE-CQSZACIVSA-N -1 0 417.416 4.419 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000513157040 921589875 /nfs/dbraw/zinc/58/98/75/921589875.db2.gz XTSIFUHTHDFGCA-HNNXBMFYSA-N -1 0 421.444 4.207 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)c(Cl)c1 ZINC000502817378 911832522 /nfs/dbraw/zinc/83/25/22/911832522.db2.gz WEBGKXWBYUUYHE-UHFFFAOYSA-N -1 0 410.789 4.000 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c(Cl)c1 ZINC000502844256 911854844 /nfs/dbraw/zinc/85/48/44/911854844.db2.gz WQPOMDLTMFOGAO-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000506646415 915317178 /nfs/dbraw/zinc/31/71/78/915317178.db2.gz PFQMGZQKVWWUAE-VIFPVBQESA-N -1 0 404.410 4.438 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2sc(-c3ccccc3)nc2C)cc1C#N ZINC000507510112 916274714 /nfs/dbraw/zinc/27/47/14/916274714.db2.gz NOZQFEFHFBNTNM-LLVKDONJSA-N -1 0 410.524 4.304 20 30 HIEDRM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)ccc2O1 ZINC000507636246 916395406 /nfs/dbraw/zinc/39/54/06/916395406.db2.gz MQWBBFOMUOQRSG-UHFFFAOYSA-N -1 0 424.400 4.122 20 30 HIEDRM N#Cc1cc(Cl)ccc1-n1ccc([N-]S(=O)(=O)c2csc3ccccc32)n1 ZINC000507937640 916807493 /nfs/dbraw/zinc/80/74/93/916807493.db2.gz OZKCHMRPSRUODW-UHFFFAOYSA-N -1 0 414.899 4.413 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000509238247 917933690 /nfs/dbraw/zinc/93/36/90/917933690.db2.gz VZDXXTPFPJISJW-UHFFFAOYSA-N -1 0 400.891 4.477 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1C#N ZINC000509385650 918052657 /nfs/dbraw/zinc/05/26/57/918052657.db2.gz WTOQTSKVRBXVCY-UHFFFAOYSA-N -1 0 404.423 4.035 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000510045083 918616583 /nfs/dbraw/zinc/61/65/83/918616583.db2.gz XHFMRNYHDPOPKR-KRWDZBQOSA-N -1 0 419.506 4.159 20 30 HIEDRM CO[C@H](C)c1nc(=NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s[n-]1 ZINC000511084862 919686098 /nfs/dbraw/zinc/68/60/98/919686098.db2.gz GYSKRQWYUHNNJK-LLVKDONJSA-N -1 0 414.874 4.237 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000511682643 920346200 /nfs/dbraw/zinc/34/62/00/920346200.db2.gz PEJVLNDJTGESCD-UHFFFAOYSA-N -1 0 421.522 4.158 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000511712791 920378522 /nfs/dbraw/zinc/37/85/22/920378522.db2.gz CBYHMXGHLNBVBV-UHFFFAOYSA-N -1 0 415.696 4.174 20 30 HIEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000515542457 923165877 /nfs/dbraw/zinc/16/58/77/923165877.db2.gz PEXRSBQVBFKPJA-JISUQADQSA-N -1 0 410.499 4.348 20 30 HIEDRM N#CC(=C([O-])c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1nc2ccccc2o1 ZINC000515597714 923207560 /nfs/dbraw/zinc/20/75/60/923207560.db2.gz ZIRYRKWVIFTHLB-PGRDOPGGSA-N -1 0 423.428 4.260 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(COc3ccc(F)cc3)o2)n1 ZINC000516352031 923682197 /nfs/dbraw/zinc/68/21/97/923682197.db2.gz IWUPDXAYMKFYKS-HNNXBMFYSA-N -1 0 414.414 4.121 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(Br)ccc3o2)n1 ZINC000516795737 923890245 /nfs/dbraw/zinc/89/02/45/923890245.db2.gz XGFTUQOJECPDKE-LLVKDONJSA-N -1 0 419.256 4.319 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(F)c1 ZINC000517157948 924028822 /nfs/dbraw/zinc/02/88/22/924028822.db2.gz ACBDMIRFNIWJQO-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000517519436 924243326 /nfs/dbraw/zinc/24/33/26/924243326.db2.gz DYDWVAUFZIJICN-AWEZNQCLSA-N -1 0 404.513 4.058 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(NC(=O)C(C)(C)C)cc2C)n1 ZINC000517925135 926891919 /nfs/dbraw/zinc/89/19/19/926891919.db2.gz CIOHYYPHRYDPGC-NSHDSACASA-N -1 0 419.528 4.164 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(-c3ccccc3Cl)on2)n1 ZINC000517924463 926892415 /nfs/dbraw/zinc/89/24/15/926892415.db2.gz SBTNDCUQUVBAGQ-NSHDSACASA-N -1 0 401.831 4.118 20 30 HIEDRM N#CC(=C([O-])c1cn(Cc2ccccc2)nn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000518873298 927581919 /nfs/dbraw/zinc/58/19/19/927581919.db2.gz VWTFRSSODIZHRM-AWEZNQCLSA-N -1 0 421.432 4.218 20 30 HIEDRM Cc1ccc(-c2nn(CCC#N)cc2C([O-])=C(C#N)c2nc3ccccc3n2C)cc1C ZINC000518913089 927621737 /nfs/dbraw/zinc/62/17/37/927621737.db2.gz OTEQAZXEXQOZDN-LJQANCHMSA-N -1 0 422.492 4.457 20 30 HIEDRM N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cc2)cc1 ZINC000519060072 927738449 /nfs/dbraw/zinc/73/84/49/927738449.db2.gz AGCJZDOQBCHTIK-UHFFFAOYSA-N -1 0 422.462 4.169 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000521783438 929442663 /nfs/dbraw/zinc/44/26/63/929442663.db2.gz KZUMVDXMELZYBN-NRFANRHFSA-N -1 0 408.465 4.140 20 30 HIEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000521795654 929454397 /nfs/dbraw/zinc/45/43/97/929454397.db2.gz IIANBTVRDGRHTQ-SFHVURJKSA-N -1 0 410.520 4.402 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000524965616 929930820 /nfs/dbraw/zinc/93/08/20/929930820.db2.gz NXNKMVUNNOWECB-UHFFFAOYSA-N -1 0 413.386 4.199 20 30 HIEDRM N#CCCSc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000525372195 930202757 /nfs/dbraw/zinc/20/27/57/930202757.db2.gz UPONDBCKAXLMAH-ZDUSSCGKSA-N -1 0 408.467 4.022 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1C(F)(F)F ZINC000533165410 931796707 /nfs/dbraw/zinc/79/67/07/931796707.db2.gz VMQANBSGYPMPKB-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM Cn1c(=O)oc2c1cccc2C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000533866846 932070506 /nfs/dbraw/zinc/07/05/06/932070506.db2.gz GNMCTNLUFYAIMU-AWEZNQCLSA-N -1 0 409.854 4.398 20 30 HIEDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000533952935 932126033 /nfs/dbraw/zinc/12/60/33/932126033.db2.gz HPZOEYHTMAJKIT-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM N#CC(=C([O-])c1ccc(Br)cc1-n1cncn1)c1nc2ccccc2s1 ZINC000534670259 932639868 /nfs/dbraw/zinc/63/98/68/932639868.db2.gz DBROOFDIZRLRLR-ZDUSSCGKSA-N -1 0 424.283 4.130 20 30 HIEDRM C=C[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000534704004 932675186 /nfs/dbraw/zinc/67/51/86/932675186.db2.gz DFSBSFSHBTWXOO-OAHLLOKOSA-N -1 0 413.524 4.242 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)[nH]nc1-c1ccccc1 ZINC000534799537 932776877 /nfs/dbraw/zinc/77/68/77/932776877.db2.gz BTNBGVBNDMUIQS-UHFFFAOYSA-N -1 0 406.389 4.076 20 30 HIEDRM COc1cc(Br)c(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1OC ZINC000535359881 933090837 /nfs/dbraw/zinc/09/08/37/933090837.db2.gz CGMIQHMJNXPZLU-UHFFFAOYSA-N -1 0 422.323 4.170 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccccn2)c1C(F)(F)F)c1nc2ccccc2s1 ZINC000535385724 933107149 /nfs/dbraw/zinc/10/71/49/933107149.db2.gz NRDABUCKGIGRKM-LLVKDONJSA-N -1 0 413.384 4.386 20 30 HIEDRM CCc1csc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cn2)n1 ZINC000535691191 933346513 /nfs/dbraw/zinc/34/65/13/933346513.db2.gz UUAIQVWEMNPIOU-CYBMUJFWSA-N -1 0 412.425 4.126 20 30 HIEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1 ZINC000535926852 933496633 /nfs/dbraw/zinc/49/66/33/933496633.db2.gz APLSZJCEZZFWPM-UHFFFAOYSA-N -1 0 413.462 4.247 20 30 HIEDRM COc1ccc(-n2nc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2C)cc1 ZINC000540019970 939041084 /nfs/dbraw/zinc/04/10/84/939041084.db2.gz FMLZOXIODXNLQM-GOSISDBHSA-N -1 0 415.478 4.198 20 30 HIEDRM N#Cc1ccc(C2=CCN(C(=O)N=c3nc(-c4cccc(Cl)c4)[n-]s3)CC2)cc1 ZINC000542730273 939857491 /nfs/dbraw/zinc/85/74/91/939857491.db2.gz TVZHUXVOBLKDSS-UHFFFAOYSA-N -1 0 421.913 4.473 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c(C)c1F ZINC000543024288 939897475 /nfs/dbraw/zinc/89/74/75/939897475.db2.gz OEQDOEQJBXBKAP-UHFFFAOYSA-N -1 0 413.430 4.003 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543865093 940216220 /nfs/dbraw/zinc/21/62/20/940216220.db2.gz RMBXODOJHOKPFZ-LLVKDONJSA-N -1 0 401.435 4.295 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C#N ZINC000543918517 940245457 /nfs/dbraw/zinc/24/54/57/940245457.db2.gz CIMVMJTXJHXHPR-CQSZACIVSA-N -1 0 414.490 4.410 20 30 HIEDRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000544724815 940507849 /nfs/dbraw/zinc/50/78/49/940507849.db2.gz IWHMNFLPSNVBMQ-RCOVLWMOSA-N -1 0 419.265 4.059 20 30 HIEDRM Cn1ccnc1Sc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000547271980 941050050 /nfs/dbraw/zinc/05/00/50/941050050.db2.gz ACDGABJKPICWMH-UHFFFAOYSA-N -1 0 422.894 4.036 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)c(Cl)c1 ZINC000547273158 941050085 /nfs/dbraw/zinc/05/00/85/941050085.db2.gz MKRKTJNRPKEVSF-UHFFFAOYSA-N -1 0 400.891 4.089 20 30 HIEDRM N#CC(=C([O-])c1cc(Br)cnc1OCC1CC1)c1cnc2ccccc2n1 ZINC000552112822 941587557 /nfs/dbraw/zinc/58/75/57/941587557.db2.gz WGAVOHSIHNCNGW-OAHLLOKOSA-N -1 0 423.270 4.066 20 30 HIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc([N+](=O)[O-])cc(Br)c3C)nc21 ZINC000556555556 942897708 /nfs/dbraw/zinc/89/77/08/942897708.db2.gz XWQJBYVTPNTMDX-CYBMUJFWSA-N -1 0 413.231 4.341 20 30 HIEDRM Cc1c(Br)cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000556560571 942899374 /nfs/dbraw/zinc/89/93/74/942899374.db2.gz IMMFYVWQFCACIR-CYBMUJFWSA-N -1 0 411.215 4.099 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)o1 ZINC000557832639 943307381 /nfs/dbraw/zinc/30/73/81/943307381.db2.gz AECUDHYKXHNMPW-LBPRGKRZSA-N -1 0 412.311 4.142 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1ccc(F)cc1 ZINC000558131835 943390484 /nfs/dbraw/zinc/39/04/84/943390484.db2.gz FAYGHFWSEWLNHP-QGZVFWFLSA-N -1 0 403.442 4.328 20 30 HIEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000558134647 943392633 /nfs/dbraw/zinc/39/26/33/943392633.db2.gz BYCGGUKGILLKDD-UHFFFAOYSA-N -1 0 406.251 4.044 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2cnc(-c3ccc(Cl)cc3)s2)cc1C#N ZINC000560822413 944345010 /nfs/dbraw/zinc/34/50/10/944345010.db2.gz OCJSSEDNXCMDHH-UHFFFAOYSA-N -1 0 416.915 4.088 20 30 HIEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC000561618316 944710738 /nfs/dbraw/zinc/71/07/38/944710738.db2.gz WRQRFYHLCWNBNV-UHFFFAOYSA-N -1 0 407.518 4.136 20 30 HIEDRM C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000565084159 945770771 /nfs/dbraw/zinc/77/07/71/945770771.db2.gz ZWBSRLDEWSFXQU-JTQLQIEISA-N -1 0 411.270 4.065 20 30 HIEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000566830311 946125369 /nfs/dbraw/zinc/12/53/69/946125369.db2.gz ARXRHAXXKNBXTI-UHFFFAOYSA-N -1 0 405.726 4.399 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nnc(Cc2cccc3ccccc32)o1 ZINC000573171094 948099442 /nfs/dbraw/zinc/09/94/42/948099442.db2.gz DSUIDGNRMPMZDV-UHFFFAOYSA-N -1 0 424.869 4.139 20 30 HIEDRM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1c(F)cccc1OC(F)(F)F ZINC000573520395 948229082 /nfs/dbraw/zinc/22/90/82/948229082.db2.gz SZLAJNMBCFRMOI-UHFFFAOYSA-N -1 0 419.274 4.266 20 30 HIEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000574373068 948428711 /nfs/dbraw/zinc/42/87/11/948428711.db2.gz JDVTXMZKWHSTRT-UHFFFAOYSA-N -1 0 416.462 4.403 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1cc(C)ccc1C ZINC000576069772 948819894 /nfs/dbraw/zinc/81/98/94/948819894.db2.gz KDAYPNUMYCQFBG-UHFFFAOYSA-N -1 0 400.891 4.123 20 30 HIEDRM Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c1 ZINC000436002045 861286876 /nfs/dbraw/zinc/28/68/76/861286876.db2.gz HRDPESPYHXYECT-UHFFFAOYSA-N -1 0 417.231 4.031 20 30 HIEDRM COC(=O)C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccc(OC)c(OC)c1 ZINC000016936580 846220229 /nfs/dbraw/zinc/22/02/29/846220229.db2.gz JULPPOPDUHPQKP-WPZNHYQYSA-N -1 0 412.269 4.440 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)COc2ccc(Cl)c3ccccc23)n1 ZINC000019486266 846366380 /nfs/dbraw/zinc/36/63/80/846366380.db2.gz YZDJMHTURPZJIT-HNNXBMFYSA-N -1 0 414.870 4.057 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2[n-]c1=S ZINC000026488162 847156956 /nfs/dbraw/zinc/15/69/56/847156956.db2.gz VOZDWEKLXVEGEG-UHFFFAOYSA-N -1 0 420.519 4.247 20 30 HIEDRM C=CCCCCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000436528795 861837074 /nfs/dbraw/zinc/83/70/74/861837074.db2.gz MKBNZSWCUHIQDE-UHFFFAOYSA-N -1 0 408.545 4.073 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(OCc3cccc(F)c3)cc2)cc1C#N ZINC000031917072 847964778 /nfs/dbraw/zinc/96/47/78/847964778.db2.gz QAZSEBOIXIKMCE-UHFFFAOYSA-N -1 0 423.469 4.029 20 30 HIEDRM C[C@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)c1ccc(C#N)cc1 ZINC000436667202 861888268 /nfs/dbraw/zinc/88/82/68/861888268.db2.gz WVJUDURAOKKSDV-VIFPVBQESA-N -1 0 424.092 4.280 20 30 HIEDRM N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3[O-])s2)cc1 ZINC000436670596 861888920 /nfs/dbraw/zinc/88/89/20/861888920.db2.gz FZDDDWYRBCMGAK-UHFFFAOYSA-N -1 0 402.888 4.313 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccc(Br)cc2)cc1C ZINC000046929891 848962508 /nfs/dbraw/zinc/96/25/08/848962508.db2.gz QGAYCGSOPZFTGI-ZDUSSCGKSA-N -1 0 412.305 4.179 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1-n1cccc1 ZINC000051156367 849437992 /nfs/dbraw/zinc/43/79/92/849437992.db2.gz UMPBVILUVLTYHF-OAHLLOKOSA-N -1 0 407.886 4.478 20 30 HIEDRM COc1ccc(C(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)cc1-c1ccccc1 ZINC000051897473 849526862 /nfs/dbraw/zinc/52/68/62/849526862.db2.gz WKOYJCWZIIZSNO-UHFFFAOYSA-N -1 0 410.495 4.044 20 30 HIEDRM N#Cc1ccc(O[C@H]2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3[O-])C2)nc1 ZINC000436868151 862045960 /nfs/dbraw/zinc/04/59/60/862045960.db2.gz GUNCOBPRLPKSKR-SFHVURJKSA-N -1 0 419.868 4.273 20 30 HIEDRM CCOc1ccc(N(CCC#N)C(=O)c2cc(F)cc(Br)c2[O-])cc1 ZINC000436889060 862066075 /nfs/dbraw/zinc/06/60/75/862066075.db2.gz AODIVHWXBVZPRY-UHFFFAOYSA-N -1 0 407.239 4.253 20 30 HIEDRM Cc1nc(-c2ncccn2)sc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000054466200 849871577 /nfs/dbraw/zinc/87/15/77/849871577.db2.gz PZOGIWLPOSMYNF-NSHDSACASA-N -1 0 410.409 4.143 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000057119552 850551819 /nfs/dbraw/zinc/55/18/19/850551819.db2.gz RRBVMXFKBJXDNQ-UHFFFAOYSA-N -1 0 418.478 4.009 20 30 HIEDRM N#CCc1ccc(OCc2cccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)cc1 ZINC000436960933 862141756 /nfs/dbraw/zinc/14/17/56/862141756.db2.gz SGXCGBBSQBEQGP-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F ZINC000060043749 851034668 /nfs/dbraw/zinc/03/46/68/851034668.db2.gz MNBFMVXSCAMLIW-INIZCTEOSA-N -1 0 404.426 4.269 20 30 HIEDRM CC(=O)c1cccc(OCCCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000060766468 851208642 /nfs/dbraw/zinc/20/86/42/851208642.db2.gz HNUCEFUPYKOPKR-UHFFFAOYSA-N -1 0 415.511 4.272 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063913085 851792613 /nfs/dbraw/zinc/79/26/13/851792613.db2.gz BBOSQXYYSSCIMC-UHFFFAOYSA-N -1 0 402.369 4.304 20 30 HIEDRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000066004100 852352267 /nfs/dbraw/zinc/35/22/67/852352267.db2.gz GNDFIIZPRMWPIS-UHFFFAOYSA-N -1 0 401.406 4.382 20 30 HIEDRM COc1ccccc1-c1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)cs1 ZINC000138693834 853394233 /nfs/dbraw/zinc/39/42/33/853394233.db2.gz OANUZXKQKHDLBZ-CYBMUJFWSA-N -1 0 411.870 4.433 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000216006239 853842084 /nfs/dbraw/zinc/84/20/84/853842084.db2.gz OXUKHNGMHLTUHQ-AWEZNQCLSA-N -1 0 403.423 4.095 20 30 HIEDRM C=CCN(Cc1cccs1)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000237656682 854069738 /nfs/dbraw/zinc/06/97/38/854069738.db2.gz LHWRSPMCHAJPTH-UHFFFAOYSA-N -1 0 423.538 4.396 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000303266564 854841750 /nfs/dbraw/zinc/84/17/50/854841750.db2.gz GKCGRBMILWTOGK-JTQLQIEISA-N -1 0 416.496 4.248 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1Br ZINC000323457923 855395734 /nfs/dbraw/zinc/39/57/34/855395734.db2.gz GKYLMENJXCWQIG-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)cc1Cl ZINC000409536754 855530551 /nfs/dbraw/zinc/53/05/51/855530551.db2.gz SILUXFZRJJJBIL-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)ccc1C(F)(F)F ZINC000410332054 855933070 /nfs/dbraw/zinc/93/30/70/855933070.db2.gz CJVHQHVDDVRXAF-UHFFFAOYSA-N -1 0 401.435 4.103 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410367968 855954813 /nfs/dbraw/zinc/95/48/13/855954813.db2.gz SDWXDJQUYZTTGC-UHFFFAOYSA-N -1 0 413.268 4.072 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000410386793 855965917 /nfs/dbraw/zinc/96/59/17/855965917.db2.gz YFWFBEOCKLVDPL-UHFFFAOYSA-N -1 0 414.712 4.207 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cccc1-c1ncco1 ZINC000427301038 856760011 /nfs/dbraw/zinc/76/00/11/856760011.db2.gz WCANRBXKDUYXTR-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000427503243 856843343 /nfs/dbraw/zinc/84/33/43/856843343.db2.gz ZNZUCFNKOQOLKP-UHFFFAOYSA-N -1 0 407.417 4.456 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2noc3ccc(Cl)cc32)ccc1C(F)(F)F ZINC000427745906 856935319 /nfs/dbraw/zinc/93/53/19/856935319.db2.gz OYRIIUYJIBGSOJ-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)[nH]1 ZINC000429673743 857829807 /nfs/dbraw/zinc/82/98/07/857829807.db2.gz WQBMVHMFIVVKPL-YYXFOKPRSA-N -1 0 409.511 4.216 20 30 HIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(S(=O)(=O)CCCC#N)cc2)s1 ZINC000430583576 858227562 /nfs/dbraw/zinc/22/75/62/858227562.db2.gz NCKHOLSDLFAICO-INIZCTEOSA-N -1 0 415.540 4.008 20 30 HIEDRM COCCc1nnc(-c2cccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c2)o1 ZINC000430594015 858231041 /nfs/dbraw/zinc/23/10/41/858231041.db2.gz URQIBRDXLGPOAW-OAHLLOKOSA-N -1 0 410.499 4.170 20 30 HIEDRM CC(C)Oc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430608172 858235744 /nfs/dbraw/zinc/23/57/44/858235744.db2.gz DRLAGQDXUXLLSU-HNNXBMFYSA-N -1 0 420.556 4.121 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)n[nH]2)cc1OC ZINC000430617028 858237268 /nfs/dbraw/zinc/23/72/68/858237268.db2.gz JLOCYMYYMKOQIT-ZDUSSCGKSA-N -1 0 410.499 4.338 20 30 HIEDRM C=C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1)c1ccccc1 ZINC000431455085 858625511 /nfs/dbraw/zinc/62/55/11/858625511.db2.gz GYEOILVIEPUQGR-KSSFIOAISA-N -1 0 402.288 4.441 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cn(C)nc3-c3ccoc3)n2)cc1 ZINC000434626463 860438175 /nfs/dbraw/zinc/43/81/75/860438175.db2.gz YQFKCPHWFLSBOT-MRXNPFEDSA-N -1 0 404.451 4.302 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnnn3-c3cccc(F)c3)n2)cc1 ZINC000434631460 860440463 /nfs/dbraw/zinc/44/04/63/860440463.db2.gz WWDADQAWSRYYGT-QGZVFWFLSA-N -1 0 403.442 4.328 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435135653 860658412 /nfs/dbraw/zinc/65/84/12/860658412.db2.gz SQDVDESQMHXKSE-UHFFFAOYSA-N -1 0 415.309 4.395 20 30 HIEDRM COc1cc(OC)cc(Oc2ccc(C=C(C)c3nc(C)c(C#N)c(=O)[n-]3)cc2)c1 ZINC000435335330 860745451 /nfs/dbraw/zinc/74/54/51/860745451.db2.gz HILNKCXVUNJPBO-ZROIWOOFSA-N -1 0 403.438 4.320 20 30 HIEDRM CCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000435339213 860748374 /nfs/dbraw/zinc/74/83/74/860748374.db2.gz QGUPRDWMNWRSQQ-VBKFSLOCSA-N -1 0 401.466 4.488 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000435717805 861001281 /nfs/dbraw/zinc/00/12/81/861001281.db2.gz RUHHODLSQIGZIE-UHFFFAOYSA-N -1 0 406.332 4.022 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c(C(F)(F)F)c1 ZINC000438714735 864197278 /nfs/dbraw/zinc/19/72/78/864197278.db2.gz NAOSMQIQZFHTMX-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438777478 864271068 /nfs/dbraw/zinc/27/10/68/864271068.db2.gz XZUBRBJTQSGRRW-NSHDSACASA-N -1 0 410.904 4.091 20 30 HIEDRM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1Cl ZINC000440817802 865934059 /nfs/dbraw/zinc/93/40/59/865934059.db2.gz RDEQXIVQZNIRJW-UHFFFAOYSA-N -1 0 419.934 4.239 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)c1C#N ZINC000440829819 865944637 /nfs/dbraw/zinc/94/46/37/865944637.db2.gz BOQWDKSDXZSIQW-UHFFFAOYSA-N -1 0 412.515 4.075 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CN4CCCC(C)(C)[C@H]4C#N)nc(=O)c3s2)cc1 ZINC000444726585 868979721 /nfs/dbraw/zinc/97/97/21/868979721.db2.gz ORFXPCRTRAEQFA-GOSISDBHSA-N -1 0 408.527 4.174 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CN4CCCC(C)(C)[C@@H]4C#N)nc(=O)c3s2)cc1 ZINC000444726588 868979877 /nfs/dbraw/zinc/97/98/77/868979877.db2.gz ORFXPCRTRAEQFA-SFHVURJKSA-N -1 0 408.527 4.174 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000446758070 870670117 /nfs/dbraw/zinc/67/01/17/870670117.db2.gz YOFCZMBRJVODEV-UHFFFAOYSA-N -1 0 403.660 4.055 20 30 HIEDRM Cc1cnn([C@@H]2CCCc3ccccc32)c1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000446816558 870729813 /nfs/dbraw/zinc/72/98/13/870729813.db2.gz GBWICMJWOJLVPF-OAQYLSRUSA-N -1 0 406.511 4.098 20 30 HIEDRM CCOc1ccc(N(CCC#N)C(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])cc1 ZINC000447481902 871368581 /nfs/dbraw/zinc/36/85/81/871368581.db2.gz PLGZZIHRLHTKJW-UHFFFAOYSA-N -1 0 410.861 4.190 20 30 HIEDRM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000468516331 882524770 /nfs/dbraw/zinc/52/47/70/882524770.db2.gz LSLHIXLXNLSRQX-AWEZNQCLSA-N -1 0 422.934 4.356 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447774811 871702529 /nfs/dbraw/zinc/70/25/29/871702529.db2.gz ATAKHHYFEASDEZ-UHFFFAOYSA-N -1 0 402.419 4.234 20 30 HIEDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 ZINC000460767312 873610850 /nfs/dbraw/zinc/61/08/50/873610850.db2.gz MQMMKNOGAJBMFN-UHFFFAOYSA-N -1 0 417.487 4.096 20 30 HIEDRM Cc1cn(-c2ccc(C#N)cn2)nc1[N-]S(=O)(=O)c1c(C)cc(C(C)(C)C)cc1C ZINC000460794285 873662466 /nfs/dbraw/zinc/66/24/66/873662466.db2.gz MZSVEOVXUXKSHG-UHFFFAOYSA-N -1 0 423.542 4.163 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000460824333 873708520 /nfs/dbraw/zinc/70/85/20/873708520.db2.gz VWMDZWAHIZFHNP-UHFFFAOYSA-N -1 0 401.271 4.073 20 30 HIEDRM O=S(=O)([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc(C(F)(F)F)s1 ZINC000461337003 874348225 /nfs/dbraw/zinc/34/82/25/874348225.db2.gz CHNKKJVQMOHIRR-UHFFFAOYSA-N -1 0 409.304 4.447 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nnc(-c2cc3ccccc3o2)s1 ZINC000468858172 882893213 /nfs/dbraw/zinc/89/32/13/882893213.db2.gz HPWFGOATUKXWAG-UHFFFAOYSA-N -1 0 416.871 4.277 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C)c2C)nc1 ZINC000463500069 876558952 /nfs/dbraw/zinc/55/89/52/876558952.db2.gz KINNUPYFPHPMIK-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1COCc1ccccc1 ZINC000463521413 876587961 /nfs/dbraw/zinc/58/79/61/876587961.db2.gz RHKWLPFHVYZDSL-UHFFFAOYSA-N -1 0 408.479 4.084 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2c(OC(C)C)ccc3ccccc32)cc1C#N ZINC000469005122 883072409 /nfs/dbraw/zinc/07/24/09/883072409.db2.gz OEPIYMOEZWGXPN-UHFFFAOYSA-N -1 0 407.495 4.251 20 30 HIEDRM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000464419748 877629001 /nfs/dbraw/zinc/62/90/01/877629001.db2.gz FLHMJXBTVRFYQO-CQSZACIVSA-N -1 0 400.360 4.093 20 30 HIEDRM N#CC(=C([O-])c1ccc(Br)cc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 ZINC000464471937 877694482 /nfs/dbraw/zinc/69/44/82/877694482.db2.gz NOHMPTSRGSIXRJ-LLVKDONJSA-N -1 0 414.137 4.261 20 30 HIEDRM N#CC(=C([O-])c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2ccccc2o1 ZINC000503401424 912381054 /nfs/dbraw/zinc/38/10/54/912381054.db2.gz BWGZRNNQHKCKOD-LBPRGKRZSA-N -1 0 415.306 4.056 20 30 HIEDRM C=CC[C@H](CC)NC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000466366221 880125086 /nfs/dbraw/zinc/12/50/86/880125086.db2.gz DUWAVMDUFIDNHL-INIZCTEOSA-N -1 0 417.531 4.281 20 30 HIEDRM C=C(C)C[C@H](C)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000466758607 880538375 /nfs/dbraw/zinc/53/83/75/880538375.db2.gz NLPNBVFZSLANNG-HNNXBMFYSA-N -1 0 418.515 4.045 20 30 HIEDRM C=C(C)C[C@@H](C)C(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000466763360 880542523 /nfs/dbraw/zinc/54/25/23/880542523.db2.gz YMSFTHCZAMFZKG-CQSZACIVSA-N -1 0 406.479 4.176 20 30 HIEDRM N#CC(=C([O-])c1cn(Cc2cccc(F)c2)nn1)c1nc2cc(Cl)ccc2s1 ZINC000469545228 883808167 /nfs/dbraw/zinc/80/81/67/883808167.db2.gz QZIDJUKFKLXISW-AWEZNQCLSA-N -1 0 411.849 4.219 20 30 HIEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000503823419 912831632 /nfs/dbraw/zinc/83/16/32/912831632.db2.gz BONDWXOFYMGISH-HNNXBMFYSA-N -1 0 422.350 4.300 20 30 HIEDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000471580873 886292805 /nfs/dbraw/zinc/29/28/05/886292805.db2.gz LCUPYTHJIPUVEK-CQSZACIVSA-N -1 0 400.891 4.127 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)cc1[O-] ZINC000473356599 888081350 /nfs/dbraw/zinc/08/13/50/888081350.db2.gz RWLSNQNRQDVTIO-UHFFFAOYSA-N -1 0 401.138 4.177 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)sc1Cl ZINC000473469347 888193663 /nfs/dbraw/zinc/19/36/63/888193663.db2.gz HLHICGXAEVPXOI-UHFFFAOYSA-N -1 0 413.311 4.222 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)s[n-]1 ZINC000473830137 888663305 /nfs/dbraw/zinc/66/33/05/888663305.db2.gz QHALOANSVMTQSP-CVEARBPZSA-N -1 0 409.540 4.301 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1C(F)(F)F ZINC000474296721 889161362 /nfs/dbraw/zinc/16/13/62/889161362.db2.gz IZAXHXWBIJNOAQ-UHFFFAOYSA-N -1 0 406.332 4.022 20 30 HIEDRM Cn1c(=O)[nH]c2ccc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)cc21 ZINC000504547705 913324693 /nfs/dbraw/zinc/32/46/93/913324693.db2.gz RSWKDKQHOZXRCQ-NSHDSACASA-N -1 0 410.405 4.171 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000475798368 890734189 /nfs/dbraw/zinc/73/41/89/890734189.db2.gz ODCVOZKYEVKQFE-UHFFFAOYSA-N -1 0 407.282 4.046 20 30 HIEDRM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1c(F)cc(F)cc1F ZINC000475812787 890747192 /nfs/dbraw/zinc/74/71/92/890747192.db2.gz NHMZQYFCLOICIS-UHFFFAOYSA-N -1 0 402.291 4.018 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1C#N ZINC000476680130 891630891 /nfs/dbraw/zinc/63/08/91/891630891.db2.gz GBHPEXDMDZAVIA-UHFFFAOYSA-N -1 0 407.417 4.204 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](COc2ccccc2F)c2ccccc2)cc1C#N ZINC000476820357 891805309 /nfs/dbraw/zinc/80/53/09/891805309.db2.gz GQSCWWINZBKBLV-GOSISDBHSA-N -1 0 423.469 4.070 20 30 HIEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2Oc2ccccc2C#N)c1 ZINC000479044392 894305187 /nfs/dbraw/zinc/30/51/87/894305187.db2.gz KMMZKHAHMJBDDS-UHFFFAOYSA-N -1 0 422.462 4.102 20 30 HIEDRM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C(F)(F)F)c1 ZINC000479131384 894399194 /nfs/dbraw/zinc/39/91/94/894399194.db2.gz PAIQUYMJXPYRBW-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c1 ZINC000479484251 894806912 /nfs/dbraw/zinc/80/69/12/894806912.db2.gz AKBXXTPDRPMGBW-UHFFFAOYSA-N -1 0 405.888 4.048 20 30 HIEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000479509003 894823438 /nfs/dbraw/zinc/82/34/38/894823438.db2.gz DXSJQBNIKDBKMZ-UHFFFAOYSA-N -1 0 424.478 4.477 20 30 HIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000480189867 895585200 /nfs/dbraw/zinc/58/52/00/895585200.db2.gz DNVOKNYGHYORGR-UHFFFAOYSA-N -1 0 406.332 4.065 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1cccc(C)c1 ZINC000480232136 895638217 /nfs/dbraw/zinc/63/82/17/895638217.db2.gz SMHBBJUUVAXGCM-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000481983094 897377616 /nfs/dbraw/zinc/37/76/16/897377616.db2.gz QHJVNGWPNPSGOA-CQSZACIVSA-N -1 0 405.501 4.407 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnc2ccccc2n1 ZINC000483200141 898855672 /nfs/dbraw/zinc/85/56/72/898855672.db2.gz NJEMFUIAGXMQGQ-IBGZPJMESA-N -1 0 416.444 4.368 20 30 HIEDRM COc1ccc(C(=O)c2ccccc2C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000483212215 898861605 /nfs/dbraw/zinc/86/16/05/898861605.db2.gz IUNAAWINACLOSY-HXUWFJFHSA-N -1 0 407.429 4.359 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1cccc2cccnc21 ZINC000483236717 898881172 /nfs/dbraw/zinc/88/11/72/898881172.db2.gz VHXUHXGFNYEOBX-IBGZPJMESA-N -1 0 404.433 4.162 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)cc1Cl ZINC000484599125 900060139 /nfs/dbraw/zinc/06/01/39/900060139.db2.gz BONAVJCYARKMJX-UHFFFAOYSA-N -1 0 422.087 4.134 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000485444875 900739932 /nfs/dbraw/zinc/73/99/32/900739932.db2.gz IJJYDDAYOCGDKL-UHFFFAOYSA-N -1 0 419.222 4.281 20 30 HIEDRM C[C@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccc(C#N)c1 ZINC000486008570 901219145 /nfs/dbraw/zinc/21/91/45/901219145.db2.gz RXRYNEBKJWDLRN-INIZCTEOSA-N -1 0 405.479 4.101 20 30 HIEDRM N#Cc1cccc(COc2cccc(NC(=O)c3[n-]cnc3C(=O)c3ccccc3)c2)c1 ZINC000488016849 902537298 /nfs/dbraw/zinc/53/72/98/902537298.db2.gz WIFGAMRKSXKINS-UHFFFAOYSA-N -1 0 422.444 4.344 20 30 HIEDRM C=CCn1c(COc2ccccc2)nnc1SCc1nc(=O)c2sccc2[n-]1 ZINC000489642208 903510990 /nfs/dbraw/zinc/51/09/90/903510990.db2.gz HCBVGRQMICACDH-UHFFFAOYSA-N -1 0 411.512 4.046 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489759755 903586091 /nfs/dbraw/zinc/58/60/91/903586091.db2.gz BDEUXPOESSDLGZ-LLVKDONJSA-N -1 0 410.904 4.233 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000491572593 904656213 /nfs/dbraw/zinc/65/62/13/904656213.db2.gz NVQIURYFPABIQG-UHFFFAOYSA-N -1 0 415.696 4.174 20 30 HIEDRM Cc1nn(C)c(-n2cccn2)c1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000495141835 906268768 /nfs/dbraw/zinc/26/87/68/906268768.db2.gz RABFLBFFAVGLBO-HNNXBMFYSA-N -1 0 422.901 4.181 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2)cc1C#N ZINC000512671833 921283036 /nfs/dbraw/zinc/28/30/36/921283036.db2.gz HKBAVFDPBNVNDL-HXUWFJFHSA-N -1 0 401.491 4.169 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cnn1-c1ccccc1F ZINC000512958820 921437975 /nfs/dbraw/zinc/43/79/75/921437975.db2.gz PBSJCOUHKRWGHS-OAHLLOKOSA-N -1 0 403.442 4.328 20 30 HIEDRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000512964792 921441506 /nfs/dbraw/zinc/44/15/06/921441506.db2.gz VFWIXEAFZFWWJU-XWIAVFTESA-N -1 0 402.479 4.290 20 30 HIEDRM Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000499502684 908819275 /nfs/dbraw/zinc/81/92/75/908819275.db2.gz LHXCTLFYBRVZAF-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000502774884 911800166 /nfs/dbraw/zinc/80/01/66/911800166.db2.gz ROXUABHJCAGPTD-SFHVURJKSA-N -1 0 412.902 4.135 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000506720908 915400296 /nfs/dbraw/zinc/40/02/96/915400296.db2.gz VQTRHNDEEDQGMX-UHFFFAOYSA-N -1 0 413.886 4.383 20 30 HIEDRM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000506813967 915572424 /nfs/dbraw/zinc/57/24/24/915572424.db2.gz HXVATAFKVYGLSI-UHFFFAOYSA-N -1 0 419.673 4.106 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)cc1C#N ZINC000507076851 915856245 /nfs/dbraw/zinc/85/62/45/915856245.db2.gz KUWQVBZVMSKDOC-UHFFFAOYSA-N -1 0 414.487 4.128 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)cc1C#N ZINC000508961269 917717864 /nfs/dbraw/zinc/71/78/64/917717864.db2.gz AITCKYDQJBAKMK-UHFFFAOYSA-N -1 0 407.470 4.362 20 30 HIEDRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(Oc2ncccc2C#N)cc1C ZINC000509102126 917841591 /nfs/dbraw/zinc/84/15/91/917841591.db2.gz DXLGEDGJMPDOPU-UHFFFAOYSA-N -1 0 423.494 4.480 20 30 HIEDRM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(F)cc1)c1c(F)c(F)cc(F)c1F ZINC000509224579 917923616 /nfs/dbraw/zinc/92/36/16/917923616.db2.gz OGTLLCGWQFVWIX-LLVKDONJSA-N -1 0 419.293 4.354 20 30 HIEDRM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)c2)cn1 ZINC000509395385 918060865 /nfs/dbraw/zinc/06/08/65/918060865.db2.gz AINGPKIKDOJUEM-UHFFFAOYSA-N -1 0 413.886 4.392 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000509595781 918246230 /nfs/dbraw/zinc/24/62/30/918246230.db2.gz JURUVCVFRBCVQB-UHFFFAOYSA-N -1 0 405.435 4.032 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000513667945 921990096 /nfs/dbraw/zinc/99/00/96/921990096.db2.gz XOEXMGWDFJJUJB-MRXNPFEDSA-N -1 0 424.489 4.373 20 30 HIEDRM Cc1csc([C@H](C#N)C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)n1 ZINC000513682305 922003094 /nfs/dbraw/zinc/00/30/94/922003094.db2.gz SHPXJJOARNTHOJ-LJQANCHMSA-N -1 0 402.479 4.477 20 30 HIEDRM N#C[C@@H](C(=O)c1cc2ccccc2[nH]c1=O)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000513682058 922004156 /nfs/dbraw/zinc/00/41/56/922004156.db2.gz NZOUYIJGEXYWCK-AWEZNQCLSA-N -1 0 416.462 4.020 20 30 HIEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)cc1C ZINC000514895629 922836486 /nfs/dbraw/zinc/83/64/86/922836486.db2.gz AHCBKRPBBDVQHH-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(OC)cc1Cl ZINC000515621334 923221597 /nfs/dbraw/zinc/22/15/97/923221597.db2.gz BPTMENSYCSPBMY-UHFFFAOYSA-N -1 0 420.796 4.048 20 30 HIEDRM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3c(F)cccc3F)c2)c1 ZINC000515634006 923233992 /nfs/dbraw/zinc/23/39/92/923233992.db2.gz QERUMXQZQHYRFE-UHFFFAOYSA-N -1 0 400.406 4.216 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1ccc(Cl)cc1 ZINC000515906593 923425556 /nfs/dbraw/zinc/42/55/56/923425556.db2.gz WUDHOENGJKLYDW-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)sc1C(F)(F)F ZINC000517008950 923965644 /nfs/dbraw/zinc/96/56/44/923965644.db2.gz RJTCRDXMVXPPHD-UHFFFAOYSA-N -1 0 408.320 4.429 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nnn(-c4ccccc4)c3C)n2)cc1 ZINC000517801166 926842472 /nfs/dbraw/zinc/84/24/72/926842472.db2.gz YUYJPEXDNSCECP-SFHVURJKSA-N -1 0 415.478 4.198 20 30 HIEDRM COc1ccc(-n2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000518516556 927321057 /nfs/dbraw/zinc/32/10/57/927321057.db2.gz KIRTXOICZNSYJO-SFHVURJKSA-N -1 0 400.463 4.494 20 30 HIEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)s1 ZINC000519350065 927893634 /nfs/dbraw/zinc/89/36/34/927893634.db2.gz WHQYKDLKEUJIJB-GFCCVEGCSA-N -1 0 417.462 4.276 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000520926215 928877767 /nfs/dbraw/zinc/87/77/67/928877767.db2.gz UHDMCKFHCJHHCH-NSHDSACASA-N -1 0 411.892 4.443 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)nnn1-c1ccc2ncccc2c1 ZINC000520943620 928884732 /nfs/dbraw/zinc/88/47/32/928884732.db2.gz GVOPTSUBMLOSAE-MRXNPFEDSA-N -1 0 410.462 4.224 20 30 HIEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c(Cl)c1 ZINC000521713273 929382902 /nfs/dbraw/zinc/38/29/02/929382902.db2.gz XYZUYTARXRHVJC-LBPRGKRZSA-N -1 0 424.931 4.179 20 30 HIEDRM Cn1c2ccccc2nc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000524723187 929810832 /nfs/dbraw/zinc/81/08/32/929810832.db2.gz DVPWFHUXAKWRAB-UHFFFAOYSA-N -1 0 406.442 4.052 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1nc2ccccc2s1 ZINC000525327678 930165414 /nfs/dbraw/zinc/16/54/14/930165414.db2.gz BXQGRDQMCQDLAR-CYBMUJFWSA-N -1 0 413.384 4.386 20 30 HIEDRM N#Cc1ccc(CSc2nnc([N-]C(=O)c3c(F)cc(F)cc3F)s2)cc1 ZINC000525518879 930297817 /nfs/dbraw/zinc/29/78/17/930297817.db2.gz YRDYBFAIBJOHRZ-UHFFFAOYSA-N -1 0 406.414 4.372 20 30 HIEDRM N#CC(=C([O-])c1cnc2n[nH]nc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000527351644 930644084 /nfs/dbraw/zinc/64/40/84/930644084.db2.gz RZMTVQMBLKPCFO-NSHDSACASA-N -1 0 415.265 4.273 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000532845233 931655743 /nfs/dbraw/zinc/65/57/43/931655743.db2.gz WKJMPBKLRJGKHF-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N=c2nc(-c3cccnc3)[n-]s2)cc1 ZINC000535170628 932986784 /nfs/dbraw/zinc/98/67/84/932986784.db2.gz AWZPSELRUGHWIL-UHFFFAOYSA-N -1 0 417.425 4.077 20 30 HIEDRM C=CCN(C(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000562418990 945071919 /nfs/dbraw/zinc/07/19/19/945071919.db2.gz NWGIQOKEJDEMFP-QGZVFWFLSA-N -1 0 418.877 4.073 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1cccc(F)c1 ZINC000541304555 939490262 /nfs/dbraw/zinc/49/02/62/939490262.db2.gz CJNNUOWZOJNYEI-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM N#CCC1CCN(C(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])CC1 ZINC000541979248 939668879 /nfs/dbraw/zinc/66/88/79/939668879.db2.gz PGKFAKSDYBQPHF-UHFFFAOYSA-N -1 0 412.799 4.016 20 30 HIEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000542984080 939891305 /nfs/dbraw/zinc/89/13/05/939891305.db2.gz HTTUKOVYBAEKPD-UHFFFAOYSA-N -1 0 423.885 4.055 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccc(C)cc2)n1 ZINC000543059204 939914360 /nfs/dbraw/zinc/91/43/60/939914360.db2.gz WZBAWFSXSGGNJP-SFHVURJKSA-N -1 0 418.474 4.349 20 30 HIEDRM Cn1nnc2ccc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc21 ZINC000543574802 940115980 /nfs/dbraw/zinc/11/59/80/940115980.db2.gz VRDAZXCSLRBPFW-ULYJJNKVSA-N -1 0 417.538 4.383 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cnn1C1CCCC1 ZINC000544150792 940338086 /nfs/dbraw/zinc/33/80/86/940338086.db2.gz YUDDWNLAHHTNGR-AWEZNQCLSA-N -1 0 400.504 4.074 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(O[C@@H]4CCOC4)c3)n2)cc1 ZINC000544547848 940476621 /nfs/dbraw/zinc/47/66/21/940476621.db2.gz YORXKGFLMWBBRV-MSOLQXFVSA-N -1 0 405.479 4.171 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544726531 940507917 /nfs/dbraw/zinc/50/79/17/940507917.db2.gz UCQQAXLXYYSIKM-SNVBAGLBSA-N -1 0 401.307 4.095 20 30 HIEDRM Cc1cc(Br)cc2c1[n-]cc(-c1noc(C3(C#N)CCCCC3)n1)c2=O ZINC000547193146 941027115 /nfs/dbraw/zinc/02/71/15/941027115.db2.gz PYVVAOBMKPUPFB-UHFFFAOYSA-N -1 0 413.275 4.375 20 30 HIEDRM CC[C@@H](c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1)c1ccccc1 ZINC000547270133 941048990 /nfs/dbraw/zinc/04/89/90/941048990.db2.gz LYWIKSQSPFMGNQ-CQSZACIVSA-N -1 0 418.931 4.406 20 30 HIEDRM O=C(NCC(F)(F)C(F)F)N[C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000549238888 941173201 /nfs/dbraw/zinc/17/32/01/941173201.db2.gz YUTRTTNWFXDINJ-MRVPVSSYSA-N -1 0 416.215 4.388 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)ccc1OCC(F)(F)F ZINC000551466908 941485191 /nfs/dbraw/zinc/48/51/91/941485191.db2.gz IELAPMOXZOZHBH-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3cccc4ccccc43)n2)c(Cl)c1 ZINC000554650060 942187311 /nfs/dbraw/zinc/18/73/11/942187311.db2.gz AMZAHYVCWJDJGT-UHFFFAOYSA-N -1 0 408.870 4.351 20 30 HIEDRM C[C@@H](Sc1ccccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1)C(N)=O ZINC000555075923 942378179 /nfs/dbraw/zinc/37/81/79/942378179.db2.gz CPBMLGISCCLNHJ-MFKMUULPSA-N -1 0 415.927 4.406 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556346426 942847093 /nfs/dbraw/zinc/84/70/93/942847093.db2.gz JQGITVDNKPOAKY-UHFFFAOYSA-N -1 0 414.712 4.207 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(C(=O)OC(C)(C)C)cn3)n2)cc1 ZINC000558902155 943736523 /nfs/dbraw/zinc/73/65/23/943736523.db2.gz NHLZUAYAZHXBHV-OAHLLOKOSA-N -1 0 420.494 4.354 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(C(=O)OC(C)(C)C)cn3)n2)cc1 ZINC000558902154 943736677 /nfs/dbraw/zinc/73/66/77/943736677.db2.gz NHLZUAYAZHXBHV-HNNXBMFYSA-N -1 0 420.494 4.354 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1Cc1ccccc1 ZINC000559989874 944115236 /nfs/dbraw/zinc/11/52/36/944115236.db2.gz VKXZPDADOMKYRU-OAHLLOKOSA-N -1 0 405.408 4.246 20 30 HIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000560010584 944128641 /nfs/dbraw/zinc/12/86/41/944128641.db2.gz MUWKCGQOGIKPBW-UHFFFAOYSA-N -1 0 409.891 4.055 20 30 HIEDRM CC(C)(CCC#N)CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000561654417 944731752 /nfs/dbraw/zinc/73/17/52/944731752.db2.gz ZPWIHLYOAQBCIL-UHFFFAOYSA-N -1 0 419.934 4.201 20 30 HIEDRM N#Cc1cc(Oc2ccc(NS(=O)(=O)c3ccccc3-c3ccno3)cc2)ccn1 ZINC000562233127 945034615 /nfs/dbraw/zinc/03/46/15/945034615.db2.gz KLKOBHLYDBCYBH-UHFFFAOYSA-N -1 0 418.434 4.201 20 30 HIEDRM C[C@H](c1cc(Cl)ccc1Cl)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000565084164 945771001 /nfs/dbraw/zinc/77/10/01/945771001.db2.gz ZWBSRLDEWSFXQU-SNVBAGLBSA-N -1 0 411.270 4.065 20 30 HIEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC000567390051 946321871 /nfs/dbraw/zinc/32/18/71/946321871.db2.gz ZZLDIJGXOWBGQI-HNNXBMFYSA-N -1 0 406.788 4.074 20 30 HIEDRM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cnc4ccccc4c3)cc2)ccn1 ZINC000567804214 946417306 /nfs/dbraw/zinc/41/73/06/946417306.db2.gz USRIWUCAJVOZOO-UHFFFAOYSA-N -1 0 402.435 4.095 20 30 HIEDRM C=CCN(C(=O)Nc1ccc(C)c(OCC(F)F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000570705599 947330842 /nfs/dbraw/zinc/33/08/42/947330842.db2.gz YITRUIBNFSLXDH-GOSISDBHSA-N -1 0 418.440 4.355 20 30 HIEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)s1 ZINC000572929243 948044546 /nfs/dbraw/zinc/04/45/46/948044546.db2.gz AIASHQPLLCMFEV-UHFFFAOYSA-N -1 0 407.261 4.024 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nnc(-c3cccc4ccccc43)o2)ccc1Cl ZINC000573313894 948155692 /nfs/dbraw/zinc/15/56/92/948155692.db2.gz NJSZFVQNCSLABG-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000573356815 948165678 /nfs/dbraw/zinc/16/56/78/948165678.db2.gz VPWMUZDEQNWXBK-UHFFFAOYSA-N -1 0 408.907 4.226 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436005534 861294774 /nfs/dbraw/zinc/29/47/74/861294774.db2.gz RNGDIJOCENCPCA-HNNXBMFYSA-N -1 0 410.524 4.196 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(-c3ccc(F)cc3)s2)n1 ZINC000007938645 845451306 /nfs/dbraw/zinc/45/13/06/845451306.db2.gz UXNFEKRFTOTQAE-AWEZNQCLSA-N -1 0 400.456 4.352 20 30 HIEDRM COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)o1 ZINC000013357701 845915083 /nfs/dbraw/zinc/91/50/83/845915083.db2.gz GHMAVMULEPHXHL-PKNBQFBNSA-N -1 0 406.390 4.093 20 30 HIEDRM C[C@H](/N=C/c1cc(Br)cc(Br)c1[O-])c1nnc2ccccn21 ZINC000015149748 846013657 /nfs/dbraw/zinc/01/36/57/846013657.db2.gz INZRWSUQCYJYSP-ZBPACCJBSA-N -1 0 424.096 4.140 20 30 HIEDRM N#Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)c1 ZINC000015739036 846088067 /nfs/dbraw/zinc/08/80/67/846088067.db2.gz BVWYEPSDYAYLKA-UHFFFAOYSA-N -1 0 417.899 4.326 20 30 HIEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000016121134 846126868 /nfs/dbraw/zinc/12/68/68/846126868.db2.gz KJQMUZHIJIXIMZ-UHFFFAOYSA-N -1 0 418.824 4.075 20 30 HIEDRM COC(=O)C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccc(OC)c(OC)c1 ZINC000016936583 846219964 /nfs/dbraw/zinc/21/99/64/846219964.db2.gz JULPPOPDUHPQKP-GTQIFZCBSA-N -1 0 412.269 4.440 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(OCc3cccc(C)c3)c2)n1 ZINC000025780879 847037214 /nfs/dbraw/zinc/03/72/14/847037214.db2.gz YYHKPVKGWKWKFP-FQEVSTJZSA-N -1 0 420.490 4.372 20 30 HIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cs2)cc1OC ZINC000041495663 848221275 /nfs/dbraw/zinc/22/12/75/848221275.db2.gz CSYXLQSKQNOIJX-ZDUSSCGKSA-N -1 0 404.451 4.194 20 30 HIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4o3)cs2)cc1OC ZINC000041543146 848228836 /nfs/dbraw/zinc/22/88/36/848228836.db2.gz RRYOPXBLIKKVOY-CYBMUJFWSA-N -1 0 405.435 4.459 20 30 HIEDRM N#Cc1cc(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3[O-])c(Cl)c2)c[nH]1 ZINC000436659024 861884723 /nfs/dbraw/zinc/88/47/23/861884723.db2.gz NMTRLMKEBAHKQS-UHFFFAOYSA-N -1 0 415.236 4.403 20 30 HIEDRM C=C[C@@](C)(O)CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000436665556 861887372 /nfs/dbraw/zinc/88/73/72/861887372.db2.gz MYUXRDGHPONOFJ-LJQANCHMSA-N -1 0 409.269 4.217 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccc(Br)cc2)c(C)c1 ZINC000046930108 848962232 /nfs/dbraw/zinc/96/22/32/848962232.db2.gz NPKSYYBROARQFT-ZDUSSCGKSA-N -1 0 412.305 4.179 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3csc(-c4cnn(C)c4)n3)n2)cc1 ZINC000051154736 849438072 /nfs/dbraw/zinc/43/80/72/849438072.db2.gz HWWBKZPCTXNLLZ-HNNXBMFYSA-N -1 0 405.508 4.466 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc(Br)cc2)c1)c1nc2ccccc2o1 ZINC000054736269 849916484 /nfs/dbraw/zinc/91/64/84/849916484.db2.gz MCJVIQLOVIPPML-OAHLLOKOSA-N -1 0 407.227 4.266 20 30 HIEDRM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000055648346 850092987 /nfs/dbraw/zinc/09/29/87/850092987.db2.gz URZXWHXDCSTSEX-AWEZNQCLSA-N -1 0 417.918 4.027 20 30 HIEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1C ZINC000060443075 851101714 /nfs/dbraw/zinc/10/17/14/851101714.db2.gz JIGKETUGSACXSL-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CSCc1cc(-c2cccs2)on1 ZINC000061067000 851286545 /nfs/dbraw/zinc/28/65/45/851286545.db2.gz NTIHQKSAXVKRRU-UHFFFAOYSA-N -1 0 408.526 4.290 20 30 HIEDRM O=C(CSCc1cc(-c2cccs2)on1)[N-]S(=O)(=O)c1ccccc1F ZINC000061067385 851287736 /nfs/dbraw/zinc/28/77/36/851287736.db2.gz UXCCSTOFUIXAEZ-UHFFFAOYSA-N -1 0 412.489 4.121 20 30 HIEDRM COc1ccc(COc2cccc(F)c2)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000063634767 851730877 /nfs/dbraw/zinc/73/08/77/851730877.db2.gz NRMWDMYJFMWTSG-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM O=C(CCC(=O)c1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064698257 851961469 /nfs/dbraw/zinc/96/14/69/851961469.db2.gz JSFYFLUGGBOIBW-UHFFFAOYSA-N -1 0 405.781 4.066 20 30 HIEDRM C[S@](=O)c1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000064714710 851964543 /nfs/dbraw/zinc/96/45/43/851964543.db2.gz GBVSIDUUKIXMKE-JGTBNHKDSA-N -1 0 402.447 4.316 20 30 HIEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)c1 ZINC000066002747 852351270 /nfs/dbraw/zinc/35/12/70/852351270.db2.gz UFIDPXVMOIIWBP-UHFFFAOYSA-N -1 0 408.401 4.263 20 30 HIEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)C1(c2ccc(F)cc2)CCOCC1 ZINC000066004121 852352294 /nfs/dbraw/zinc/35/22/94/852352294.db2.gz BSLCJXGTKZATLF-UHFFFAOYSA-N -1 0 417.502 4.098 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CN(CCC#N)Cc4ccco4)nc(=O)c3s2)cc1 ZINC000096993679 852570416 /nfs/dbraw/zinc/57/04/16/852570416.db2.gz FYKPWQJDDOQFOC-UHFFFAOYSA-N -1 0 420.494 4.169 20 30 HIEDRM COc1ccc2[nH]cc(CC(=O)[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2c1 ZINC000097465342 852613669 /nfs/dbraw/zinc/61/36/69/852613669.db2.gz RFMKHKZSMSFUAP-UHFFFAOYSA-N -1 0 413.282 4.371 20 30 HIEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2sc(C(C)(C)C)nc2C)C1=O ZINC000149601966 853627667 /nfs/dbraw/zinc/62/76/67/853627667.db2.gz WNPXBUDLTXRPBR-FQEVSTJZSA-N -1 0 408.568 4.065 20 30 HIEDRM C=CCn1c(-c2sc(NC(=O)[C@H](C)c3cccc(OC)c3)nc2C)n[nH]c1=S ZINC000195609132 853711675 /nfs/dbraw/zinc/71/16/75/853711675.db2.gz PYAXUMSUJYGGQL-LLVKDONJSA-N -1 0 415.544 4.309 20 30 HIEDRM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000195662673 853744162 /nfs/dbraw/zinc/74/41/62/853744162.db2.gz GVZJHFSFNOBVRQ-OAHLLOKOSA-N -1 0 421.507 4.314 20 30 HIEDRM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cc(-c4ccncc4)on3)s2)cc1 ZINC000195690962 853760499 /nfs/dbraw/zinc/76/04/99/853760499.db2.gz IGVUHFAABPBAJT-UHFFFAOYSA-N -1 0 420.479 4.004 20 30 HIEDRM C[C@@H](Sc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000237370907 854017004 /nfs/dbraw/zinc/01/70/04/854017004.db2.gz CQXPZFCOXWGRLK-CYBMUJFWSA-N -1 0 407.413 4.052 20 30 HIEDRM CCCOc1ccc(-c2nc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cs2)cc1 ZINC000303145952 854784764 /nfs/dbraw/zinc/78/47/64/854784764.db2.gz VADXCNMNJJAHHD-QGZVFWFLSA-N -1 0 421.526 4.407 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c3c2CCC3)c(F)c1 ZINC000303251188 854836230 /nfs/dbraw/zinc/83/62/30/854836230.db2.gz BJLOZNRDRIFXQT-INIZCTEOSA-N -1 0 413.456 4.185 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c3c2CCCC3)cc1 ZINC000303289248 854854316 /nfs/dbraw/zinc/85/43/16/854854316.db2.gz ALRBZRCLJUGZCD-LJQANCHMSA-N -1 0 409.493 4.436 20 30 HIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000303834161 855232661 /nfs/dbraw/zinc/23/26/61/855232661.db2.gz RMOQWVWLYQEVOJ-UHFFFAOYSA-N -1 0 423.416 4.253 20 30 HIEDRM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000389283291 855450557 /nfs/dbraw/zinc/45/05/57/855450557.db2.gz VFCYSEYAFKHLNW-UHFFFAOYSA-N -1 0 403.660 4.223 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccoc3)nn2-c2ccccc2)ccc1Cl ZINC000409625049 855571007 /nfs/dbraw/zinc/57/10/07/855571007.db2.gz NYJARYVNMVRRIF-UHFFFAOYSA-N -1 0 424.869 4.458 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cc1C#N ZINC000410212437 855864012 /nfs/dbraw/zinc/86/40/12/855864012.db2.gz WTGDJTVHMUKQQR-UHFFFAOYSA-N -1 0 405.882 4.135 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)ccc1C(F)(F)F ZINC000410339762 855937631 /nfs/dbraw/zinc/93/76/31/855937631.db2.gz KTEWVFIICQVHFH-UHFFFAOYSA-N -1 0 423.441 4.425 20 30 HIEDRM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C ZINC000426168442 856150476 /nfs/dbraw/zinc/15/04/76/856150476.db2.gz REYJTCYBBSNFFI-HNNXBMFYSA-N -1 0 409.467 4.040 20 30 HIEDRM N#CC(=C([O-])c1cnc(OCc2ccccc2)cn1)c1nc2ccccc2n1C(F)F ZINC000429115307 857516581 /nfs/dbraw/zinc/51/65/81/857516581.db2.gz NQQMGRCDZMBZHP-OAHLLOKOSA-N -1 0 419.391 4.290 20 30 HIEDRM Cc1noc2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c12 ZINC000429571438 857756262 /nfs/dbraw/zinc/75/62/62/857756262.db2.gz RFNYJUVUKQACJJ-MRXNPFEDSA-N -1 0 408.421 4.268 20 30 HIEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cn2)cc1OC ZINC000430622950 858239132 /nfs/dbraw/zinc/23/91/32/858239132.db2.gz GRVFMBXDBDSXFA-INIZCTEOSA-N -1 0 424.526 4.193 20 30 HIEDRM C=CCC(C)(C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000431263966 858538335 /nfs/dbraw/zinc/53/83/35/858538335.db2.gz OIRSHJYUUGLKLK-UHFFFAOYSA-N -1 0 402.516 4.345 20 30 HIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC000431325758 858566087 /nfs/dbraw/zinc/56/60/87/858566087.db2.gz JTJZDOZIQXSOHH-UHFFFAOYSA-N -1 0 416.553 4.120 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)cc1C#N ZINC000434368782 860316678 /nfs/dbraw/zinc/31/66/78/860316678.db2.gz HLUUWYGKQWENFE-SECBINFHSA-N -1 0 408.310 4.447 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1Br ZINC000435130395 860655237 /nfs/dbraw/zinc/65/52/37/860655237.db2.gz PNXGVNXUPFYBEZ-UHFFFAOYSA-N -1 0 409.305 4.217 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435175036 860678613 /nfs/dbraw/zinc/67/86/13/860678613.db2.gz YCLNAYGPKZHLDT-UHFFFAOYSA-N -1 0 408.405 4.071 20 30 HIEDRM CC(=Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435334984 860745838 /nfs/dbraw/zinc/74/58/38/860745838.db2.gz DOFGUVRHFHIGFC-JLHYYAGUSA-N -1 0 404.857 4.416 20 30 HIEDRM CC(=Cc1csc(-c2cccc(Br)c2)n1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338409 860748023 /nfs/dbraw/zinc/74/80/23/860748023.db2.gz CZECVVJJLWGOPZ-UXBLZVDNSA-N -1 0 413.300 4.397 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(C#N)s2)cnn1-c1ccc(Cl)cc1 ZINC000435502730 860825436 /nfs/dbraw/zinc/82/54/36/860825436.db2.gz SROMGRRLCNZKQB-UHFFFAOYSA-N -1 0 406.920 4.383 20 30 HIEDRM N#Cc1cccnc1OC1CCC(NC(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000438593462 864021662 /nfs/dbraw/zinc/02/16/62/864021662.db2.gz CDOBPUMZXNFGJN-UHFFFAOYSA-N -1 0 406.269 4.086 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438756892 864251252 /nfs/dbraw/zinc/25/12/52/864251252.db2.gz RCLLQVNWYBOTFP-NSHDSACASA-N -1 0 410.904 4.233 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000438766532 864260437 /nfs/dbraw/zinc/26/04/37/864260437.db2.gz XMJDEKVSGLFMCO-UHFFFAOYSA-N -1 0 408.323 4.483 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cnc3ccsc3c2)cnn1-c1cccc(C#N)c1 ZINC000438813152 864303796 /nfs/dbraw/zinc/30/37/96/864303796.db2.gz WPXUVVDVZNSZDK-UHFFFAOYSA-N -1 0 423.523 4.107 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(Cl)s2)cnn1-c1cccc(C#N)c1 ZINC000438844948 864340992 /nfs/dbraw/zinc/34/09/92/864340992.db2.gz YRMBBPWUHMDRKC-UHFFFAOYSA-N -1 0 406.920 4.212 20 30 HIEDRM N#CCC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000438943979 864418264 /nfs/dbraw/zinc/41/82/64/864418264.db2.gz AKOCGXPZKUSOBM-AWEZNQCLSA-N -1 0 414.270 4.225 20 30 HIEDRM CCn1cnc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 ZINC000439570113 864892982 /nfs/dbraw/zinc/89/29/82/864892982.db2.gz LHOBXUZQJOMESO-KRWDZBQOSA-N -1 0 400.891 4.013 20 30 HIEDRM COCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(-c2ccccc2)s1 ZINC000442032464 867075592 /nfs/dbraw/zinc/07/55/92/867075592.db2.gz OCZXYKRFIFYKOK-OAHLLOKOSA-N -1 0 402.479 4.333 20 30 HIEDRM N#CC(=C([O-])c1ncoc1-c1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cn1 ZINC000442609378 867556955 /nfs/dbraw/zinc/55/69/55/867556955.db2.gz LSHAKASVBHRXAG-ZDUSSCGKSA-N -1 0 415.327 4.017 20 30 HIEDRM CNC(=O)c1cccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000442672508 867606099 /nfs/dbraw/zinc/60/60/99/867606099.db2.gz QNTCTMXBOWHAMG-NFQTVLRUSA-N -1 0 419.550 4.461 20 30 HIEDRM Cc1cc(C)nc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4o3)c(C(C)C)n2)n1 ZINC000442690266 867624536 /nfs/dbraw/zinc/62/45/36/867624536.db2.gz VVEMAKFIBITISC-HNNXBMFYSA-N -1 0 400.442 4.034 20 30 HIEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000443420419 868004716 /nfs/dbraw/zinc/00/47/16/868004716.db2.gz ZAULHFMYLKRYPY-UHFFFAOYSA-N -1 0 421.935 4.087 20 30 HIEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)n1 ZINC000468345608 882281305 /nfs/dbraw/zinc/28/13/05/882281305.db2.gz HYJWDIAYFLTJHL-UHFFFAOYSA-N -1 0 422.938 4.143 20 30 HIEDRM COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000468381335 882325195 /nfs/dbraw/zinc/32/51/95/882325195.db2.gz XHTYSWRWKLJFKP-LLVKDONJSA-N -1 0 415.298 4.080 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)Cc3ccccc3Cl)s2)cc1 ZINC000446824137 870739650 /nfs/dbraw/zinc/73/96/50/870739650.db2.gz DBEQRGCODRXKDE-UHFFFAOYSA-N -1 0 403.916 4.201 20 30 HIEDRM N#CCCN(CC1CC1)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000447092693 870988410 /nfs/dbraw/zinc/98/84/10/870988410.db2.gz CLICUWHKFPZDOS-UHFFFAOYSA-N -1 0 413.692 4.304 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cccc(C#N)c1 ZINC000447635415 871547598 /nfs/dbraw/zinc/54/75/98/871547598.db2.gz AKQZZMPOHITGNQ-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM Cc1cn(-c2ccc(C#N)cn2)nc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000460754788 873593216 /nfs/dbraw/zinc/59/32/16/873593216.db2.gz KUYUHPPVNBZZGO-UHFFFAOYSA-N -1 0 423.885 4.055 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000460824261 873708016 /nfs/dbraw/zinc/70/80/16/873708016.db2.gz NHGYPNBHDYGSIZ-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc1C#N ZINC000461083323 873993250 /nfs/dbraw/zinc/99/32/50/873993250.db2.gz JYBNBDKLXIPKGQ-UHFFFAOYSA-N -1 0 402.888 4.410 20 30 HIEDRM N#CCCCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000461802453 874915030 /nfs/dbraw/zinc/91/50/30/874915030.db2.gz SCXCXWCCEYKPOT-UHFFFAOYSA-N -1 0 412.298 4.427 20 30 HIEDRM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000464183565 877354779 /nfs/dbraw/zinc/35/47/79/877354779.db2.gz BTBJSSIJZMJTEY-ZDUSSCGKSA-N -1 0 415.268 4.335 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464462602 877684534 /nfs/dbraw/zinc/68/45/34/877684534.db2.gz APDDASRQXIFLPQ-OAHLLOKOSA-N -1 0 421.444 4.207 20 30 HIEDRM CSc1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1-c1ccccc1 ZINC000464467260 877688615 /nfs/dbraw/zinc/68/86/15/877688615.db2.gz MQYAAPUOUBMWCF-AWEZNQCLSA-N -1 0 402.401 4.498 20 30 HIEDRM N#CC(=C([O-])c1cnc(-c2ccc3c(c2)OCO3)s1)c1cc(C(F)(F)F)ccn1 ZINC000464473482 877694749 /nfs/dbraw/zinc/69/47/49/877694749.db2.gz RYBDQBWHSVFMNO-GFCCVEGCSA-N -1 0 417.368 4.443 20 30 HIEDRM Cc1c2nc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)sc2ccc1F ZINC000464909534 878226145 /nfs/dbraw/zinc/22/61/45/878226145.db2.gz LUIFHSKWUGMOHA-UHFFFAOYSA-N -1 0 415.393 4.435 20 30 HIEDRM N#CC(=C([O-])c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1nc2ccccc2o1 ZINC000503400341 912381028 /nfs/dbraw/zinc/38/10/28/912381028.db2.gz AQWKEYYSYCYQHQ-GFCCVEGCSA-N -1 0 415.306 4.056 20 30 HIEDRM C[C@@H](NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)c1ccc2ccccc2c1 ZINC000465451011 878882010 /nfs/dbraw/zinc/88/20/10/878882010.db2.gz FTZDAXFTRWDTBC-MRXNPFEDSA-N -1 0 404.514 4.373 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000503531452 912586255 /nfs/dbraw/zinc/58/62/55/912586255.db2.gz ZETOFWOYTBJDSX-GOSISDBHSA-N -1 0 417.446 4.474 20 30 HIEDRM COc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1SC ZINC000503554998 912624249 /nfs/dbraw/zinc/62/42/49/912624249.db2.gz DTQUJXNSKIHECN-LLVKDONJSA-N -1 0 411.361 4.229 20 30 HIEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000503823424 912831838 /nfs/dbraw/zinc/83/18/38/912831838.db2.gz BONDWXOFYMGISH-OAHLLOKOSA-N -1 0 422.350 4.300 20 30 HIEDRM CC[C@H](c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1)c1ccccc1 ZINC000471510384 886213049 /nfs/dbraw/zinc/21/30/49/886213049.db2.gz KRMQVHNRCRJULN-HNNXBMFYSA-N -1 0 418.931 4.406 20 30 HIEDRM CC(C)(c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1)c1ccccc1 ZINC000471525097 886227518 /nfs/dbraw/zinc/22/75/18/886227518.db2.gz FPRJWBVCWJMPDV-UHFFFAOYSA-N -1 0 418.931 4.190 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc1C#N ZINC000473602467 888347246 /nfs/dbraw/zinc/34/72/46/888347246.db2.gz BYQYWGKYKDDPFR-UHFFFAOYSA-N -1 0 419.510 4.172 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000473772526 888571726 /nfs/dbraw/zinc/57/17/26/888571726.db2.gz LDZDDASZVXUJJH-UHFFFAOYSA-N -1 0 409.529 4.196 20 30 HIEDRM CCN(CC)S(=O)(=O)c1ccc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000474421942 889285791 /nfs/dbraw/zinc/28/57/91/889285791.db2.gz NUEHJHVHFRPUBS-QGZVFWFLSA-N -1 0 419.572 4.096 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1C ZINC000478098884 893264679 /nfs/dbraw/zinc/26/46/79/893264679.db2.gz YBBFBBGYORZRNW-LLVKDONJSA-N -1 0 407.282 4.349 20 30 HIEDRM Cn1cc(/C=C(\CC(=O)[O-])c2nc3cc(Br)ccc3s2)cc1C#N ZINC000478917612 894199637 /nfs/dbraw/zinc/19/96/37/894199637.db2.gz NRNPNRWNSLDYDO-NYYWCZLTSA-N -1 0 402.273 4.284 20 30 HIEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000479496661 894815936 /nfs/dbraw/zinc/81/59/36/894815936.db2.gz BSTIFJNTABRWEG-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000479525151 894833792 /nfs/dbraw/zinc/83/37/92/894833792.db2.gz UIWFBAURJYYECL-UHFFFAOYSA-N -1 0 414.899 4.389 20 30 HIEDRM Cn1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000505414215 914079320 /nfs/dbraw/zinc/07/93/20/914079320.db2.gz JKJOUTYDDXZFBZ-SNVBAGLBSA-N -1 0 422.253 4.249 20 30 HIEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)cn2)C[C@H](C)O1 ZINC000505426645 914090129 /nfs/dbraw/zinc/09/01/29/914090129.db2.gz BOTDKWCSCVZJFM-JTDSTZFVSA-N -1 0 418.522 4.309 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(-c2ccc(Cl)s2)on1 ZINC000481873220 897244215 /nfs/dbraw/zinc/24/42/15/897244215.db2.gz VHUCHWQOROZPRC-UHFFFAOYSA-N -1 0 400.268 4.382 20 30 HIEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000482035023 897449031 /nfs/dbraw/zinc/44/90/31/897449031.db2.gz DBMRKDOIPOPFIG-UHFFFAOYSA-N -1 0 416.462 4.333 20 30 HIEDRM O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N-]CC(F)(F)C(F)F ZINC000482133225 897590386 /nfs/dbraw/zinc/59/03/86/897590386.db2.gz CUUUWCIIHGGVSI-UHFFFAOYSA-N -1 0 401.200 4.120 20 30 HIEDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000482167420 897633628 /nfs/dbraw/zinc/63/36/28/897633628.db2.gz HMZINBJGONZMRS-UHFFFAOYSA-N -1 0 400.390 4.254 20 30 HIEDRM COc1cncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000482587713 898185989 /nfs/dbraw/zinc/18/59/89/898185989.db2.gz VJSFCNDMLHKDEI-NSHDSACASA-N -1 0 405.266 4.406 20 30 HIEDRM CCc1c(NC(=O)c2ccc(C#N)c([O-])c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000482700190 898301086 /nfs/dbraw/zinc/30/10/86/898301086.db2.gz WPXYQLYCMOTMDE-UHFFFAOYSA-N -1 0 400.360 4.283 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2cccc(Br)c2)c1)c1cnc2ccccc2n1 ZINC000483188311 898848253 /nfs/dbraw/zinc/84/82/53/898848253.db2.gz AZZCFXHXCRFNDO-INIZCTEOSA-N -1 0 418.254 4.068 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc(Br)c2)n1)c1cnc2ccccc2n1 ZINC000483205847 898858597 /nfs/dbraw/zinc/85/85/97/898858597.db2.gz VVQFUEQTZUHNGN-OAHLLOKOSA-N -1 0 418.254 4.068 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c3c2CCC3)c(F)c1 ZINC000483219912 898864867 /nfs/dbraw/zinc/86/48/67/898864867.db2.gz MOIVHSHOPDLNPR-MRXNPFEDSA-N -1 0 411.440 4.242 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nccc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000483219502 898865331 /nfs/dbraw/zinc/86/53/31/898865331.db2.gz UBIWANRFXXWAFW-CQSZACIVSA-N -1 0 413.336 4.243 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnc2ccccc2n1 ZINC000483233657 898877287 /nfs/dbraw/zinc/87/72/87/898877287.db2.gz PYQDSUDWDAKPBW-AWEZNQCLSA-N -1 0 401.407 4.152 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2ccc3cc(I)ccc3n2)n1 ZINC000483428618 899059852 /nfs/dbraw/zinc/05/98/52/899059852.db2.gz DDDLDQYVAWYQRB-GFCCVEGCSA-N -1 0 419.247 4.094 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C#N ZINC000483487100 899138368 /nfs/dbraw/zinc/13/83/68/899138368.db2.gz QTNQVSSRJAZSGO-LLVKDONJSA-N -1 0 402.266 4.212 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000485150080 900450356 /nfs/dbraw/zinc/45/03/56/900450356.db2.gz NVOGQJXYGNQZSD-UHFFFAOYSA-N -1 0 404.232 4.093 20 30 HIEDRM CC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1cc(F)cc(Br)c1 ZINC000485672279 900923337 /nfs/dbraw/zinc/92/33/37/900923337.db2.gz VFEKUOZOSYBBPX-AWEZNQCLSA-N -1 0 424.295 4.163 20 30 HIEDRM C=CCc1ccc(OCC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c(OC)c1 ZINC000486055464 901252801 /nfs/dbraw/zinc/25/28/01/901252801.db2.gz SHSGSUUCKRJMTG-UHFFFAOYSA-N -1 0 421.449 4.058 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489759763 903586352 /nfs/dbraw/zinc/58/63/52/903586352.db2.gz BDEUXPOESSDLGZ-NSHDSACASA-N -1 0 410.904 4.233 20 30 HIEDRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1C ZINC000489772372 903592292 /nfs/dbraw/zinc/59/22/92/903592292.db2.gz QYDNYBLQLGSKSN-LBPRGKRZSA-N -1 0 421.544 4.003 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1-c1nc(C)cc(C)n1 ZINC000490743829 904203884 /nfs/dbraw/zinc/20/38/84/904203884.db2.gz IDXSUGHLOWDHFW-KRWDZBQOSA-N -1 0 414.494 4.201 20 30 HIEDRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000512753595 921302240 /nfs/dbraw/zinc/30/22/40/921302240.db2.gz ZJFHQHQNPNRGST-GFCCVEGCSA-N -1 0 424.931 4.322 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccnc4ccccc43)cc2)cn1 ZINC000499300413 908670796 /nfs/dbraw/zinc/67/07/96/908670796.db2.gz GUMUVSKXNSVJGG-UHFFFAOYSA-N -1 0 402.435 4.095 20 30 HIEDRM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000512963513 921441091 /nfs/dbraw/zinc/44/10/91/921441091.db2.gz FSTOQXUGCKSPHC-MRXNPFEDSA-N -1 0 415.478 4.198 20 30 HIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000500457603 909870549 /nfs/dbraw/zinc/87/05/49/909870549.db2.gz AQHNOKHGLLLIRB-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1c(Cl)cccc1Cl ZINC000501331348 910472614 /nfs/dbraw/zinc/47/26/14/910472614.db2.gz UOTYLGBAWZEKLG-GFCCVEGCSA-N -1 0 415.284 4.033 20 30 HIEDRM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000506585398 915237102 /nfs/dbraw/zinc/23/71/02/915237102.db2.gz YAQMRRUQQGPKTD-UHFFFAOYSA-N -1 0 419.673 4.106 20 30 HIEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3cccc(-c4ccccc4)c3)o2)c1 ZINC000508183790 917006601 /nfs/dbraw/zinc/00/66/01/917006601.db2.gz ZQXYLDHPMLNFEZ-UHFFFAOYSA-N -1 0 402.435 4.076 20 30 HIEDRM Cn1nnc2cc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)ccc21 ZINC000511721891 920387787 /nfs/dbraw/zinc/38/77/87/920387787.db2.gz IZHKIRGYJPWKEG-ULYJJNKVSA-N -1 0 417.538 4.383 20 30 HIEDRM C=CCOc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1Cl ZINC000514821394 922814729 /nfs/dbraw/zinc/81/47/29/922814729.db2.gz TWJPGTAKUKKPOI-GXDHUFHOSA-N -1 0 408.841 4.257 20 30 HIEDRM Cc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1S(C)(=O)=O ZINC000515546971 923168923 /nfs/dbraw/zinc/16/89/23/923168923.db2.gz JYBTXJMJHKECNV-ZDUSSCGKSA-N -1 0 404.900 4.152 20 30 HIEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000515621665 923221849 /nfs/dbraw/zinc/22/18/49/923221849.db2.gz VPFGIMNMEHMKDX-UHFFFAOYSA-N -1 0 423.450 4.155 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000515693753 923277337 /nfs/dbraw/zinc/27/73/37/923277337.db2.gz GBEAMJYZZCYCRU-UHFFFAOYSA-N -1 0 410.295 4.276 20 30 HIEDRM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)c2)cc1 ZINC000517158965 924030525 /nfs/dbraw/zinc/03/05/25/924030525.db2.gz WPSXHYIPURGUPE-UHFFFAOYSA-N -1 0 416.462 4.337 20 30 HIEDRM Cc1c(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c2ccccc2n1C ZINC000517636814 926745034 /nfs/dbraw/zinc/74/50/34/926745034.db2.gz QTXWUZSXNJGUFX-UHFFFAOYSA-N -1 0 418.478 4.347 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(O[C@H](C)c3ccccc3)nc2)n1 ZINC000518662641 927415022 /nfs/dbraw/zinc/41/50/22/927415022.db2.gz MPIJBVOFKJGIJJ-PBHICJAKSA-N -1 0 421.478 4.345 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)nnn1-c1cccc2cnccc21 ZINC000518721358 927454055 /nfs/dbraw/zinc/45/40/55/927454055.db2.gz PGDQZYNTOODTLP-INIZCTEOSA-N -1 0 410.462 4.224 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4c(c3)CCO4)n2)cc1Cl ZINC000520280745 928444366 /nfs/dbraw/zinc/44/43/66/928444366.db2.gz YGFQQXKOQVLOST-UHFFFAOYSA-N -1 0 411.870 4.009 20 30 HIEDRM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000520966345 928893203 /nfs/dbraw/zinc/89/32/03/928893203.db2.gz GFUJOLHENDTENE-UHFFFAOYSA-N -1 0 413.543 4.161 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000521783439 929442925 /nfs/dbraw/zinc/44/29/25/929442925.db2.gz KZUMVDXMELZYBN-OAQYLSRUSA-N -1 0 408.465 4.140 20 30 HIEDRM Cc1cccc(Oc2ncccc2[N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1C ZINC000525482891 930271452 /nfs/dbraw/zinc/27/14/52/930271452.db2.gz PGTRNPSIXFMTDO-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM Cc1cc(Br)cc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)oc21 ZINC000525859602 930469451 /nfs/dbraw/zinc/46/94/51/930469451.db2.gz LWYKSDVBIOHZFY-AWEZNQCLSA-N -1 0 413.275 4.312 20 30 HIEDRM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000532833323 931647873 /nfs/dbraw/zinc/64/78/73/931647873.db2.gz YUZKLUZCGKQNOE-HNNXBMFYSA-N -1 0 409.902 4.344 20 30 HIEDRM C[C@@H](C#N)CN(C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])C1CC1 ZINC000533159755 931793755 /nfs/dbraw/zinc/79/37/55/931793755.db2.gz UTQIKWPCDRBZFD-VIFPVBQESA-N -1 0 413.692 4.302 20 30 HIEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534205787 932330655 /nfs/dbraw/zinc/33/06/55/932330655.db2.gz AEYURSIUVPNIDP-UHFFFAOYSA-N -1 0 409.667 4.476 20 30 HIEDRM CCS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000534240066 932359133 /nfs/dbraw/zinc/35/91/33/932359133.db2.gz MPFZGARCRSMFOA-AWEZNQCLSA-N -1 0 404.900 4.233 20 30 HIEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1C1CC1 ZINC000534975239 932871470 /nfs/dbraw/zinc/87/14/70/932871470.db2.gz GRDKRMBUCLPOQE-LLVKDONJSA-N -1 0 412.437 4.423 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cc1C(F)(F)F ZINC000536127204 933677364 /nfs/dbraw/zinc/67/73/64/933677364.db2.gz KUDJLRGGLWVPJP-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM C=CCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc(OC)c1OC ZINC000762206273 939071440 /nfs/dbraw/zinc/07/14/40/939071440.db2.gz MMXXODCHIHDBEG-NRFANRHFSA-N -1 0 405.450 4.141 20 30 HIEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC ZINC000776688444 939105554 /nfs/dbraw/zinc/10/55/54/939105554.db2.gz ODOCWGMEFCBQPM-FMSOUQGNSA-N -1 0 419.836 4.008 20 30 HIEDRM O=S(=O)([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC1 ZINC000541189146 939484981 /nfs/dbraw/zinc/48/49/81/939484981.db2.gz BQXOSDFONNFWJW-SNVBAGLBSA-N -1 0 415.277 4.409 20 30 HIEDRM N#Cc1ccc(C2=CCN(C(=O)N=c3nc(-c4ccccc4Cl)[n-]s3)CC2)cc1 ZINC000541800427 939635905 /nfs/dbraw/zinc/63/59/05/939635905.db2.gz KZAVLYFGRDDRNJ-UHFFFAOYSA-N -1 0 421.913 4.473 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000542234052 939768150 /nfs/dbraw/zinc/76/81/50/939768150.db2.gz JHUSTADIYXYDQF-UHFFFAOYSA-N -1 0 420.874 4.092 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(CCC(F)(F)F)c3)n2)cc1 ZINC000542287039 939785343 /nfs/dbraw/zinc/78/53/43/939785343.db2.gz NIPUQMFHJNKNDG-HNNXBMFYSA-N -1 0 420.416 4.458 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)ncc1Br ZINC000542713653 939856025 /nfs/dbraw/zinc/85/60/25/939856025.db2.gz VCIIUIKLJBEKKX-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nc1 ZINC000542951614 939884456 /nfs/dbraw/zinc/88/44/56/939884456.db2.gz HTUOXWJYXIRUGL-FBXSJCODSA-N -1 0 420.538 4.454 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cc1Cl ZINC000545381383 940567338 /nfs/dbraw/zinc/56/73/38/940567338.db2.gz AWVBGDILFATAHX-UHFFFAOYSA-N -1 0 407.623 4.053 20 30 HIEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1OC(C)C ZINC000546886287 940901084 /nfs/dbraw/zinc/90/10/84/940901084.db2.gz KJNQWUOMOGIJHX-UHFFFAOYSA-N -1 0 414.405 4.174 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)N(CCC2=CCCCC2)c2ccccc2C(=O)[O-])c1 ZINC000547883168 941079434 /nfs/dbraw/zinc/07/94/34/941079434.db2.gz ZBQPJSGFVRHCNF-UHFFFAOYSA-N -1 0 410.495 4.342 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(=O)Nc3ccccc3)c2)n1 ZINC000552063746 941577341 /nfs/dbraw/zinc/57/73/41/941577341.db2.gz LAZZXYSQKQRNMU-QGZVFWFLSA-N -1 0 419.462 4.062 20 30 HIEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3c([O-])cc(Br)cc3Cl)n2)c1 ZINC000552197815 941600130 /nfs/dbraw/zinc/60/01/30/941600130.db2.gz PZFLBISQHFVJHE-UHFFFAOYSA-N -1 0 417.650 4.118 20 30 HIEDRM N#Cc1ccccc1Sc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000552624605 941725299 /nfs/dbraw/zinc/72/52/99/941725299.db2.gz PQPFZANRBUMSAS-UHFFFAOYSA-N -1 0 413.462 4.452 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556347081 942847511 /nfs/dbraw/zinc/84/75/11/942847511.db2.gz PUQMDZZHKCJWRO-UHFFFAOYSA-N -1 0 415.696 4.174 20 30 HIEDRM CCc1oc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1C(=O)OC ZINC000558866329 943708037 /nfs/dbraw/zinc/70/80/37/943708037.db2.gz SSAZHYHPNRHHTJ-OAHLLOKOSA-N -1 0 410.451 4.251 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(Br)c1OC ZINC000560227848 944201566 /nfs/dbraw/zinc/20/15/66/944201566.db2.gz AOPNCABWAUITJM-NSHDSACASA-N -1 0 401.216 4.098 20 30 HIEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2cc(C)ccc2F)cc1[O-] ZINC000561240232 944524655 /nfs/dbraw/zinc/52/46/55/944524655.db2.gz KBQSHKYGZGKXJH-UHFFFAOYSA-N -1 0 411.481 4.021 20 30 HIEDRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000565454347 945834316 /nfs/dbraw/zinc/83/43/16/945834316.db2.gz MFBQJXHAJKYUES-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])c1 ZINC000566598987 946054043 /nfs/dbraw/zinc/05/40/43/946054043.db2.gz BSMDTVNOHYPCME-FQEVSTJZSA-N -1 0 411.433 4.079 20 30 HIEDRM C=C[C@@](C)(CCOC)c1nc(-c2c[n-]c3c(C)cc(Br)cc3c2=O)no1 ZINC000567545264 946369879 /nfs/dbraw/zinc/36/98/79/946369879.db2.gz SZVPZHJTPWBABP-IBGZPJMESA-N -1 0 418.291 4.129 20 30 HIEDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)cc1OC ZINC000569047804 946807972 /nfs/dbraw/zinc/80/79/72/946807972.db2.gz XFUAYAXCZOYYKT-UHFFFAOYSA-N -1 0 420.796 4.048 20 30 HIEDRM C[C@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000569881452 947031850 /nfs/dbraw/zinc/03/18/50/947031850.db2.gz DHTHEBHZEPWQJF-JTQLQIEISA-N -1 0 404.797 4.342 20 30 HIEDRM CC(C)N(C(=O)Nc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000572581152 947952675 /nfs/dbraw/zinc/95/26/75/947952675.db2.gz CSSWCTPCXNQYKY-QGZVFWFLSA-N -1 0 416.275 4.389 20 30 HIEDRM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000572624023 947958495 /nfs/dbraw/zinc/95/84/95/947958495.db2.gz PALLWAPKKWFXMP-LBPRGKRZSA-N -1 0 424.931 4.179 20 30 HIEDRM O=C([O-])COc1ccc(/C=C2/S/C(=N/c3cccc(C(F)(F)F)c3)NC2=O)cc1 ZINC000033862182 527617825 /nfs/dbraw/zinc/61/78/25/527617825.db2.gz HLBCVSSEWAHZCI-OVCLIPMQSA-N -1 0 422.384 4.060 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccccc2SCc2ccco2)n1 ZINC000016155883 846131677 /nfs/dbraw/zinc/13/16/77/846131677.db2.gz MKOWTDDRHSZLOV-MRXNPFEDSA-N -1 0 412.492 4.370 20 30 HIEDRM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000026547794 847166705 /nfs/dbraw/zinc/16/67/05/847166705.db2.gz RAHFPLBWRZSFTG-UHFFFAOYSA-N -1 0 409.305 4.060 20 30 HIEDRM COc1ccc(C)cc1-c1csc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)n1 ZINC000027609526 847326633 /nfs/dbraw/zinc/32/66/33/847326633.db2.gz JFUKZCBLRWOEEB-UHFFFAOYSA-N -1 0 412.496 4.074 20 30 HIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1Cl ZINC000028458326 847423182 /nfs/dbraw/zinc/42/31/82/847423182.db2.gz AZJXTFAKHUFRQY-UHFFFAOYSA-N -1 0 409.088 4.449 20 30 HIEDRM C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436475378 861818736 /nfs/dbraw/zinc/81/87/36/861818736.db2.gz UVOIUZJUQWZFOB-UHFFFAOYSA-N -1 0 403.847 4.142 20 30 HIEDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cccc(C#N)c1C ZINC000436505815 861829285 /nfs/dbraw/zinc/82/92/85/861829285.db2.gz AGTXRQHFLHIVSN-HXUWFJFHSA-N -1 0 417.513 4.111 20 30 HIEDRM N#C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCN1Cc1ccccc1 ZINC000436538956 861842274 /nfs/dbraw/zinc/84/22/74/861842274.db2.gz MHSZCSBIXVKQAE-KRWDZBQOSA-N -1 0 405.885 4.049 20 30 HIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cs2)cc1OC ZINC000041495661 848221547 /nfs/dbraw/zinc/22/15/47/848221547.db2.gz CSYXLQSKQNOIJX-CYBMUJFWSA-N -1 0 404.451 4.194 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000048822731 849271853 /nfs/dbraw/zinc/27/18/53/849271853.db2.gz CDLXCEADOZTFFO-OAHLLOKOSA-N -1 0 409.536 4.403 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc2ccccc2o1 ZINC000054735929 849915362 /nfs/dbraw/zinc/91/53/62/849915362.db2.gz KWVDYDFIISJYAL-CQSZACIVSA-N -1 0 404.376 4.270 20 30 HIEDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1[N+](=O)[O-] ZINC000055640041 850088117 /nfs/dbraw/zinc/08/81/17/850088117.db2.gz BAIIPFMYJDBKJW-UHFFFAOYSA-N -1 0 409.851 4.040 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000055664180 850103252 /nfs/dbraw/zinc/10/32/52/850103252.db2.gz XAXJQYBLILJWAO-UHFFFAOYSA-N -1 0 418.824 4.075 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000055664272 850104570 /nfs/dbraw/zinc/10/45/70/850104570.db2.gz MOIUVPUULNEYRR-UHFFFAOYSA-N -1 0 403.463 4.004 20 30 HIEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C#N)c1 ZINC000060487687 851117288 /nfs/dbraw/zinc/11/72/88/851117288.db2.gz CLAXCYUSUQGTEP-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1C#N ZINC000063586743 851719839 /nfs/dbraw/zinc/71/98/39/851719839.db2.gz SLKURQWFZVQTNS-CYBMUJFWSA-N -1 0 422.535 4.362 20 30 HIEDRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2sc3ccc(F)cc3c2C)c1 ZINC000065764282 852247406 /nfs/dbraw/zinc/24/74/06/852247406.db2.gz ISKKGPCIMVFBJK-UHFFFAOYSA-N -1 0 409.460 4.060 20 30 HIEDRM CCCCS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000066003157 852353098 /nfs/dbraw/zinc/35/30/98/852353098.db2.gz WRLOQQFNHJXLDI-UHFFFAOYSA-N -1 0 414.483 4.314 20 30 HIEDRM COc1ccc(OCc2nc(/C=C/C(=O)c3ccc(C(=O)[O-])s3)cs2)cc1 ZINC000141523988 853474888 /nfs/dbraw/zinc/47/48/88/853474888.db2.gz NEKKOCGINYZWEY-FARCUNLSSA-N -1 0 401.465 4.387 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Br)cc1C(F)(F)F ZINC000324653083 855399993 /nfs/dbraw/zinc/39/99/93/855399993.db2.gz JQJXXCPWLHNLHZ-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1C(F)(F)F ZINC000388067859 855446632 /nfs/dbraw/zinc/44/66/32/855446632.db2.gz KHPDQGWIAPHJMT-UHFFFAOYSA-N -1 0 411.224 4.202 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)[nH]nc1-c1ccccc1 ZINC000410332736 855934389 /nfs/dbraw/zinc/93/43/89/855934389.db2.gz MDMIKSZMLAGIOB-UHFFFAOYSA-N -1 0 406.389 4.076 20 30 HIEDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410340588 855938512 /nfs/dbraw/zinc/93/85/12/855938512.db2.gz NCCFIOYQAQCZID-GFCCVEGCSA-N -1 0 400.426 4.181 20 30 HIEDRM CC1(C)C(=O)Nc2ccc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc21 ZINC000426168550 856150834 /nfs/dbraw/zinc/15/08/34/856150834.db2.gz RUGIPZRNWGRLAU-INIZCTEOSA-N -1 0 412.474 4.402 20 30 HIEDRM N#Cc1cccc(COc2cccc(CN[C@@H](C(=O)[O-])c3c(F)cccc3F)c2)c1 ZINC000426735872 856443267 /nfs/dbraw/zinc/44/32/67/856443267.db2.gz HEMLSFJLPZNXKW-JOCHJYFZSA-N -1 0 408.404 4.331 20 30 HIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427105499 856640671 /nfs/dbraw/zinc/64/06/71/856640671.db2.gz ZIRGWMCQIJERTE-UHFFFAOYSA-N -1 0 402.369 4.326 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)sc1Cc1ccc(F)cc1F ZINC000427752263 856938572 /nfs/dbraw/zinc/93/85/72/856938572.db2.gz LRTDEGHUQPIGRJ-UHFFFAOYSA-N -1 0 423.441 4.132 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)sc1Cc1ccc(C)cc1 ZINC000427759314 856942036 /nfs/dbraw/zinc/94/20/36/856942036.db2.gz KXUIDAGCRJGBIM-UHFFFAOYSA-N -1 0 401.488 4.162 20 30 HIEDRM N#Cc1ncccc1S(=O)(=O)[N-]c1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000428247706 857125146 /nfs/dbraw/zinc/12/51/46/857125146.db2.gz UZXIPQLXQFRRQC-UHFFFAOYSA-N -1 0 408.527 4.135 20 30 HIEDRM Cc1noc2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c12 ZINC000429571426 857756109 /nfs/dbraw/zinc/75/61/09/857756109.db2.gz RFNYJUVUKQACJJ-INIZCTEOSA-N -1 0 408.421 4.268 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1Cc1ccc(F)cc1 ZINC000430592800 858230026 /nfs/dbraw/zinc/23/00/26/858230026.db2.gz HXPMAGAUDUIGOR-OAHLLOKOSA-N -1 0 411.506 4.272 20 30 HIEDRM CCOC(=O)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc([N+](=O)[O-])c1 ZINC000430613206 858236076 /nfs/dbraw/zinc/23/60/76/858236076.db2.gz VQMNVMMFWNNABP-AWEZNQCLSA-N -1 0 401.444 4.016 20 30 HIEDRM Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)s2)c1 ZINC000431328923 858567845 /nfs/dbraw/zinc/56/78/45/858567845.db2.gz PFISDHLQGVBFKI-UHFFFAOYSA-N -1 0 404.904 4.148 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)cc1Cl ZINC000431341965 858572687 /nfs/dbraw/zinc/57/26/87/858572687.db2.gz PCYHTMRMQVMTTC-UHFFFAOYSA-N -1 0 422.944 4.156 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3occc3Br)c2)c1 ZINC000431681604 858737195 /nfs/dbraw/zinc/73/71/95/858737195.db2.gz YUVWUWXRMFPIMM-UHFFFAOYSA-N -1 0 410.223 4.392 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c(C(F)(F)F)c1 ZINC000432202697 859045137 /nfs/dbraw/zinc/04/51/37/859045137.db2.gz PUZLHNONNGCZSZ-UHFFFAOYSA-N -1 0 407.373 4.396 20 30 HIEDRM Cc1cccc2sc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)nc21 ZINC000432959963 859449687 /nfs/dbraw/zinc/44/96/87/859449687.db2.gz JPXJIXADLWVSMW-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000433157127 859545008 /nfs/dbraw/zinc/54/50/08/859545008.db2.gz DXWXFXBBYRMWTI-UHFFFAOYSA-N -1 0 424.404 4.415 20 30 HIEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)cc2C)s1 ZINC000433498406 859737015 /nfs/dbraw/zinc/73/70/15/859737015.db2.gz VKWBFRPSZTUMPD-UHFFFAOYSA-N -1 0 413.524 4.320 20 30 HIEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n(C)n1 ZINC000435181355 860682431 /nfs/dbraw/zinc/68/24/31/860682431.db2.gz FDGKCWSCCLJROP-UHFFFAOYSA-N -1 0 420.416 4.087 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)cc1C(F)(F)F ZINC000435201197 860693207 /nfs/dbraw/zinc/69/32/07/860693207.db2.gz LOGRMXIWDQTAPR-UHFFFAOYSA-N -1 0 401.435 4.103 20 30 HIEDRM CCCOc1c(Br)cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OC ZINC000435338467 860748056 /nfs/dbraw/zinc/74/80/56/860748056.db2.gz FCEBLLHNINLFDD-YRNVUSSQSA-N -1 0 418.291 4.070 20 30 HIEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435484024 860815819 /nfs/dbraw/zinc/81/58/19/860815819.db2.gz UQZRNVUUHDKKAW-UHFFFAOYSA-N -1 0 418.277 4.241 20 30 HIEDRM COc1ccc(COCc2cccc([N-]S(=O)(=O)c3ccc(C#N)s3)c2)cc1 ZINC000435494194 860820698 /nfs/dbraw/zinc/82/06/98/860820698.db2.gz MLMHLELDFLRWDV-UHFFFAOYSA-N -1 0 414.508 4.146 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000438755927 864249815 /nfs/dbraw/zinc/24/98/15/864249815.db2.gz HQXMPRQRCZCWEM-UHFFFAOYSA-N -1 0 410.295 4.102 20 30 HIEDRM CCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1C(=O)[O-] ZINC000440814699 865931197 /nfs/dbraw/zinc/93/11/97/865931197.db2.gz ZUJSPHOXDVYNAM-UHFFFAOYSA-N -1 0 422.462 4.412 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)c1C#N ZINC000441327589 866399286 /nfs/dbraw/zinc/39/92/86/866399286.db2.gz BDSCFMMHRZUIEY-UHFFFAOYSA-N -1 0 411.527 4.072 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)c1C#N ZINC000441339943 866410962 /nfs/dbraw/zinc/41/09/62/866410962.db2.gz XKDHRHHVGOKHCO-UHFFFAOYSA-N -1 0 417.490 4.313 20 30 HIEDRM CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)cc1 ZINC000442846244 867694930 /nfs/dbraw/zinc/69/49/30/867694930.db2.gz JFZQLHNSQIHZNY-UHFFFAOYSA-N -1 0 401.422 4.167 20 30 HIEDRM N#CC(=C([O-])c1ccnc(OCC(F)(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000442853258 867699183 /nfs/dbraw/zinc/69/91/83/867699183.db2.gz JAJKNDXHBJQRDM-ZDUSSCGKSA-N -1 0 404.373 4.031 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1[O-] ZINC000442963071 867766871 /nfs/dbraw/zinc/76/68/71/867766871.db2.gz IDGJPAUFNAECMY-UHFFFAOYSA-N -1 0 400.257 4.402 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)ccc1C(F)(F)F ZINC000443403835 867983326 /nfs/dbraw/zinc/98/33/26/867983326.db2.gz QTMRMKMQMNSPQZ-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000443418052 868001998 /nfs/dbraw/zinc/00/19/98/868001998.db2.gz RKSPVVMNJQMAJF-UHFFFAOYSA-N -1 0 414.861 4.496 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)ccc1C(F)(F)F ZINC000443418786 868003654 /nfs/dbraw/zinc/00/36/54/868003654.db2.gz ZSUWMNQUPBDLFQ-UHFFFAOYSA-N -1 0 406.332 4.022 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443418783 868004610 /nfs/dbraw/zinc/00/46/10/868004610.db2.gz ZSIOXSOOAPKOQK-UHFFFAOYSA-N -1 0 411.430 4.384 20 30 HIEDRM C=CCN(C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-])c1nc2c(s1)CCCC2 ZINC000444461000 868837075 /nfs/dbraw/zinc/83/70/75/868837075.db2.gz MZCBTCCZIQGNNJ-UHFFFAOYSA-N -1 0 412.490 4.194 20 30 HIEDRM C=CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000468365716 882307133 /nfs/dbraw/zinc/30/71/33/882307133.db2.gz YPQLEKIWNDIOCI-UHFFFAOYSA-N -1 0 413.326 4.490 20 30 HIEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000446619547 870521684 /nfs/dbraw/zinc/52/16/84/870521684.db2.gz GZFBBOITHALFCQ-UHFFFAOYSA-N -1 0 402.419 4.108 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000446758083 870670621 /nfs/dbraw/zinc/67/06/21/870670621.db2.gz FOUWRVZDZGEWHE-UHFFFAOYSA-N -1 0 403.660 4.055 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)Cc3ccc(F)c(Cl)c3)s2)cc1 ZINC000446824356 870739746 /nfs/dbraw/zinc/73/97/46/870739746.db2.gz FFRZIYXDYYCGBY-UHFFFAOYSA-N -1 0 421.906 4.340 20 30 HIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000446987489 870879557 /nfs/dbraw/zinc/87/95/57/870879557.db2.gz BCPSCXXMLHRLDC-UHFFFAOYSA-N -1 0 413.377 4.216 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)c1C#N ZINC000447272588 871161831 /nfs/dbraw/zinc/16/18/31/871161831.db2.gz XADUSHLNONKGEE-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM CC(C)(OCC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000447542920 871408240 /nfs/dbraw/zinc/40/82/40/871408240.db2.gz KLZRTQOGJSRVFT-NSHDSACASA-N -1 0 409.273 4.365 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)c1 ZINC000468518813 882527426 /nfs/dbraw/zinc/52/74/26/882527426.db2.gz QQVHHZFQMFAWSJ-AWEZNQCLSA-N -1 0 411.907 4.119 20 30 HIEDRM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000468541515 882581382 /nfs/dbraw/zinc/58/13/82/882581382.db2.gz LITCLDASCNDFOC-NSHDSACASA-N -1 0 415.298 4.080 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460824857 873708582 /nfs/dbraw/zinc/70/85/82/873708582.db2.gz TTXRPZIRMLQRJR-AWEZNQCLSA-N -1 0 416.503 4.064 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C(F)(F)F ZINC000463526208 876596255 /nfs/dbraw/zinc/59/62/55/876596255.db2.gz LMKMFZUGCHUXGG-UHFFFAOYSA-N -1 0 414.405 4.174 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)c2ccccc12 ZINC000463789503 876908957 /nfs/dbraw/zinc/90/89/57/876908957.db2.gz JUNFJHUCTKENKW-UHFFFAOYSA-N -1 0 417.284 4.283 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccc(F)cc1F ZINC000464413685 877620184 /nfs/dbraw/zinc/62/01/84/877620184.db2.gz DLGUDTUXKQSLKD-ZDUSSCGKSA-N -1 0 406.314 4.363 20 30 HIEDRM N#CC(=C([O-])c1ncoc1-c1ccc2c(c1)OCCO2)c1cc(C(F)(F)F)ccn1 ZINC000464424774 877635340 /nfs/dbraw/zinc/63/53/40/877635340.db2.gz HKOLLNZZOVWLTP-ZDUSSCGKSA-N -1 0 415.327 4.017 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccccc2F)c2c1CCC2)c1cc(C(F)(F)F)ccn1 ZINC000464463277 877684569 /nfs/dbraw/zinc/68/45/69/877684569.db2.gz FJAKYULJAJRXHC-AWEZNQCLSA-N -1 0 414.362 4.404 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)c(F)c1 ZINC000466290562 880034343 /nfs/dbraw/zinc/03/43/43/880034343.db2.gz SRPCNWMRGMQSQS-UHFFFAOYSA-N -1 0 424.494 4.049 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc(C#N)c2)n1)c1nc2cc(Cl)ccc2s1 ZINC000467195995 880925295 /nfs/dbraw/zinc/92/52/95/880925295.db2.gz PJECVSIVLZKHES-OAHLLOKOSA-N -1 0 403.854 4.497 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn(-c3ccccc3)nc2C(C)(C)C)n1 ZINC000467432117 881229941 /nfs/dbraw/zinc/22/99/41/881229941.db2.gz IODYSHFPILWDAP-OAHLLOKOSA-N -1 0 422.510 4.293 20 30 HIEDRM O=S(=O)([N-]c1cc(F)ccc1OC(F)F)c1ccc(F)cc1C(F)(F)F ZINC000470445445 884842689 /nfs/dbraw/zinc/84/26/89/884842689.db2.gz KHYFITQCPNZVAV-UHFFFAOYSA-N -1 0 403.275 4.386 20 30 HIEDRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000471580872 886293631 /nfs/dbraw/zinc/29/36/31/886293631.db2.gz LCUPYTHJIPUVEK-AWEZNQCLSA-N -1 0 400.891 4.127 20 30 HIEDRM Cc1sc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1CS(C)(=O)=O ZINC000472375633 887216046 /nfs/dbraw/zinc/21/60/46/887216046.db2.gz MTXBVVQTUJPBLV-GFCCVEGCSA-N -1 0 424.956 4.354 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1C#N ZINC000504265715 913127872 /nfs/dbraw/zinc/12/78/72/913127872.db2.gz PDCQARHOGRHXLR-UHFFFAOYSA-N -1 0 417.796 4.228 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1cccc2ncccc21 ZINC000474443040 889308818 /nfs/dbraw/zinc/30/88/18/889308818.db2.gz BKVVWKWSDFCFAA-OAHLLOKOSA-N -1 0 402.483 4.194 20 30 HIEDRM COCc1nc2sc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c(C)c2c(OC)n1 ZINC000474443416 889309234 /nfs/dbraw/zinc/30/92/34/889309234.db2.gz DFHFURHGTBXCKK-NSHDSACASA-N -1 0 416.528 4.225 20 30 HIEDRM Cc1cc(=O)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1-c1cccc(Cl)c1 ZINC000474446233 889310988 /nfs/dbraw/zinc/31/09/88/889310988.db2.gz OFXHJOCHOZRAOH-HNNXBMFYSA-N -1 0 412.902 4.264 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccc(F)cc1F ZINC000504599170 913356759 /nfs/dbraw/zinc/35/67/59/913356759.db2.gz QYAVUPMKGWKUFS-ZDUSSCGKSA-N -1 0 406.314 4.363 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Br)c2ccccc12 ZINC000475805061 890740224 /nfs/dbraw/zinc/74/02/24/890740224.db2.gz OBOUCXSJJAHUEW-UHFFFAOYSA-N -1 0 401.285 4.469 20 30 HIEDRM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475806471 890741950 /nfs/dbraw/zinc/74/19/50/890741950.db2.gz BQMKAOAJUXGFEM-UHFFFAOYSA-N -1 0 405.479 4.114 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)nn1-c1ccc(Cl)cc1Cl ZINC000475809119 890743354 /nfs/dbraw/zinc/74/33/54/890743354.db2.gz HQVPBXVFAIFBQZ-UHFFFAOYSA-N -1 0 421.309 4.354 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000476227649 891152597 /nfs/dbraw/zinc/15/25/97/891152597.db2.gz OTLLCGIUMSVXMS-UHFFFAOYSA-N -1 0 400.287 4.013 20 30 HIEDRM COc1ccc(-c2ccc(CNC(=O)c3cc(C#N)c(SC)[n-]c3=O)s2)cc1 ZINC000476492311 891401945 /nfs/dbraw/zinc/40/19/45/891401945.db2.gz QXQDCDQQCNOPMZ-UHFFFAOYSA-N -1 0 411.508 4.048 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OCCCOC)c1 ZINC000476501882 891414350 /nfs/dbraw/zinc/41/43/50/891414350.db2.gz BDXGTVKAUBGQNB-UHFFFAOYSA-N -1 0 411.907 4.121 20 30 HIEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000476534161 891447779 /nfs/dbraw/zinc/44/77/79/891447779.db2.gz KYCIIKPRWMGNKO-UHFFFAOYSA-N -1 0 421.400 4.157 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cc1C#N ZINC000476569115 891488578 /nfs/dbraw/zinc/48/85/78/891488578.db2.gz QFUZSRGWAOMBIE-UHFFFAOYSA-N -1 0 416.462 4.365 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000477247283 892198054 /nfs/dbraw/zinc/19/80/54/892198054.db2.gz ISKUPNOBAGJITJ-UHFFFAOYSA-N -1 0 422.510 4.293 20 30 HIEDRM Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1C(=O)[O-] ZINC000479236543 894498476 /nfs/dbraw/zinc/49/84/76/894498476.db2.gz AJIRKMLYWJUSLB-NSHDSACASA-N -1 0 424.931 4.399 20 30 HIEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccc(F)cc1C(F)(F)F ZINC000479273514 894549089 /nfs/dbraw/zinc/54/90/89/894549089.db2.gz DOIXOZQAQHUTNG-UHFFFAOYSA-N -1 0 420.387 4.440 20 30 HIEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccccc1OC(F)(F)F ZINC000479305077 894592050 /nfs/dbraw/zinc/59/20/50/894592050.db2.gz GTGGUPMHTNQGTM-UHFFFAOYSA-N -1 0 418.396 4.181 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479519263 894829725 /nfs/dbraw/zinc/82/97/25/894829725.db2.gz VCAHRIRQRVKPCJ-UHFFFAOYSA-N -1 0 424.869 4.380 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)cc1Cl ZINC000479981923 895335124 /nfs/dbraw/zinc/33/51/24/895335124.db2.gz CQUGUFWNEGOQKU-UHFFFAOYSA-N -1 0 411.295 4.184 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1cccc(F)c1 ZINC000480972599 896311403 /nfs/dbraw/zinc/31/14/03/896311403.db2.gz RTAMVBQIHRWFRX-QGZVFWFLSA-N -1 0 403.442 4.328 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1ccc(F)c(Cl)c1 ZINC000483189545 898849099 /nfs/dbraw/zinc/84/90/99/898849099.db2.gz CBEYIIPMUNIZNQ-INIZCTEOSA-N -1 0 405.820 4.407 20 30 HIEDRM Cc1noc(CSc2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2)n1 ZINC000483200344 898855927 /nfs/dbraw/zinc/85/59/27/898855927.db2.gz QGGPIUWJRVLTBE-MRXNPFEDSA-N -1 0 401.451 4.104 20 30 HIEDRM N#CC(=C([O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cnc2ccccc2n1 ZINC000483204812 898858481 /nfs/dbraw/zinc/85/84/81/898858481.db2.gz UNGIVOWGIHQNHE-LJQANCHMSA-N -1 0 416.444 4.368 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000485078371 900394772 /nfs/dbraw/zinc/39/47/72/900394772.db2.gz ZSZSHUODLPFSFL-UHFFFAOYSA-N -1 0 402.369 4.304 20 30 HIEDRM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000485401567 900699084 /nfs/dbraw/zinc/69/90/84/900699084.db2.gz GTZRRZLADGFYEN-OAHLLOKOSA-N -1 0 421.309 4.183 20 30 HIEDRM C=CCOc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cc1OC ZINC000486047114 901247428 /nfs/dbraw/zinc/24/74/28/901247428.db2.gz KLWKVFQAJXZSHJ-UHFFFAOYSA-N -1 0 407.422 4.129 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)cc1C#N ZINC000505979278 914643442 /nfs/dbraw/zinc/64/34/42/914643442.db2.gz OBVONMOMMBOCLP-UHFFFAOYSA-N -1 0 423.469 4.285 20 30 HIEDRM COCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000492246395 904822979 /nfs/dbraw/zinc/82/29/79/904822979.db2.gz RRDJDZMYGSYUCW-AWEZNQCLSA-N -1 0 405.501 4.403 20 30 HIEDRM C=CCn1c(SCc2nnn[n-]2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000497229941 906822708 /nfs/dbraw/zinc/82/27/08/906822708.db2.gz OSXTXNXOOPPEKQ-CYBMUJFWSA-N -1 0 415.592 4.149 20 30 HIEDRM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1 ZINC000497366606 906856915 /nfs/dbraw/zinc/85/69/15/906856915.db2.gz UCQQEDODEQCERH-QGZVFWFLSA-N -1 0 415.478 4.161 20 30 HIEDRM CCc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1S(C)(=O)=O ZINC000498702859 908126462 /nfs/dbraw/zinc/12/64/62/908126462.db2.gz UKRJSDLEGANPKQ-CQSZACIVSA-N -1 0 418.927 4.406 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000502774883 911800277 /nfs/dbraw/zinc/80/02/77/911800277.db2.gz ROXUABHJCAGPTD-GOSISDBHSA-N -1 0 412.902 4.135 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2cccs2)Cc2cccs2)cc1C#N ZINC000503160889 912130464 /nfs/dbraw/zinc/13/04/64/912130464.db2.gz PUOQEGLSDPDLMB-UHFFFAOYSA-N -1 0 401.538 4.346 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)c(Cl)c2)cn1 ZINC000506632953 915301849 /nfs/dbraw/zinc/30/18/49/915301849.db2.gz VRETWKOUFIBDGF-UHFFFAOYSA-N -1 0 413.886 4.295 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2ccccc2[nH]1 ZINC000507024411 915829243 /nfs/dbraw/zinc/82/92/43/915829243.db2.gz PFRLOSWBXABGPM-MRXNPFEDSA-N -1 0 410.462 4.362 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000507270867 916035374 /nfs/dbraw/zinc/03/53/74/916035374.db2.gz SZPIVYYCMSGLHP-UHFFFAOYSA-N -1 0 412.902 4.212 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C)sc1SCC#N ZINC000509218820 917919829 /nfs/dbraw/zinc/91/98/29/917919829.db2.gz HQQSIVWTGSZJFG-UHFFFAOYSA-N -1 0 407.464 4.195 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509588056 918236981 /nfs/dbraw/zinc/23/69/81/918236981.db2.gz UKKIPGPNXUFHEK-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(C#N)c3)c2)c([N+](=O)[O-])c1 ZINC000509597595 918247913 /nfs/dbraw/zinc/24/79/13/918247913.db2.gz AADJXPVUGUJJCW-UHFFFAOYSA-N -1 0 423.450 4.155 20 30 HIEDRM Cc1nnc2ccc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cn12 ZINC000509878654 918480815 /nfs/dbraw/zinc/48/08/15/918480815.db2.gz OEUDRSUOTRZXTM-FBXSJCODSA-N -1 0 417.538 4.452 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1C#N ZINC000514245587 922585882 /nfs/dbraw/zinc/58/58/82/922585882.db2.gz AASQOCFLJKQLEI-UHFFFAOYSA-N -1 0 408.310 4.492 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cnn1Cc1ccccc1 ZINC000516344935 923679083 /nfs/dbraw/zinc/67/90/83/923679083.db2.gz OXVDULZEDIHGNF-MRXNPFEDSA-N -1 0 422.510 4.007 20 30 HIEDRM COC(=O)COc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000516465009 923746364 /nfs/dbraw/zinc/74/63/64/923746364.db2.gz JLXLJAREFXGANI-SFHVURJKSA-N -1 0 406.463 4.160 20 30 HIEDRM COc1ccc(-n2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n2)cc1 ZINC000517800776 926842047 /nfs/dbraw/zinc/84/20/47/926842047.db2.gz HLDMADVFAZQTQO-OAHLLOKOSA-N -1 0 407.380 4.116 20 30 HIEDRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000518242274 927102673 /nfs/dbraw/zinc/10/26/73/927102673.db2.gz YWIAXQGRWKPSAF-LBPRGKRZSA-N -1 0 424.931 4.322 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(O[C@@H](C)c3ccccc3)nc2)n1 ZINC000518662643 927413965 /nfs/dbraw/zinc/41/39/65/927413965.db2.gz MPIJBVOFKJGIJJ-WMLDXEAASA-N -1 0 421.478 4.345 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc2ncccc21 ZINC000520199622 928384565 /nfs/dbraw/zinc/38/45/65/928384565.db2.gz BWYCRRPSGUPNAW-OAHLLOKOSA-N -1 0 422.370 4.028 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)nnn1-c1ccc2ncccc2c1 ZINC000520943618 928884714 /nfs/dbraw/zinc/88/47/14/928884714.db2.gz GVOPTSUBMLOSAE-INIZCTEOSA-N -1 0 410.462 4.224 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)s1 ZINC000521264936 929090088 /nfs/dbraw/zinc/09/00/88/929090088.db2.gz RSEZUGVUNUGLBS-VIFPVBQESA-N -1 0 404.419 4.426 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1C ZINC000521328371 929142830 /nfs/dbraw/zinc/14/28/30/929142830.db2.gz PGPRIAYJIJWCBL-CYBMUJFWSA-N -1 0 405.501 4.407 20 30 HIEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)cc1 ZINC000521328530 929143852 /nfs/dbraw/zinc/14/38/52/929143852.db2.gz YCMFDMAKLMGPPT-UHFFFAOYSA-N -1 0 409.423 4.368 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccnc4ccccc43)c2)cn1 ZINC000524550141 929679535 /nfs/dbraw/zinc/67/95/35/929679535.db2.gz HVGBCBJYESANKN-UHFFFAOYSA-N -1 0 402.435 4.095 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1Cc1cccc(Cl)c1Cl ZINC000525435396 930238519 /nfs/dbraw/zinc/23/85/19/930238519.db2.gz ACRWINOBAIMVQO-UHFFFAOYSA-N -1 0 421.309 4.219 20 30 HIEDRM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000525514293 930294891 /nfs/dbraw/zinc/29/48/91/930294891.db2.gz OOYXEDWSBBAKRU-IBGZPJMESA-N -1 0 414.490 4.312 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000525522142 930299752 /nfs/dbraw/zinc/29/97/52/930299752.db2.gz QPOUZADTDKHAHP-UHFFFAOYSA-N -1 0 402.435 4.095 20 30 HIEDRM Cc1nnc(SCc2c3ccccc3oc2C([O-])=C(C#N)c2ccncn2)s1 ZINC000525858312 930469716 /nfs/dbraw/zinc/46/97/16/930469716.db2.gz YIBCZDWHRDOUHL-CYBMUJFWSA-N -1 0 407.480 4.165 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cnn1-c1cccc(C#N)c1 ZINC000526125666 930540454 /nfs/dbraw/zinc/54/04/54/930540454.db2.gz VBQPYZUUWWVRTA-UHFFFAOYSA-N -1 0 424.526 4.204 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCCc3ccccc32)cc1Cl ZINC000527503866 930670903 /nfs/dbraw/zinc/67/09/03/930670903.db2.gz BPVNFJLVKPJTEN-LJQANCHMSA-N -1 0 412.902 4.135 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c(F)c1 ZINC000530924771 930860639 /nfs/dbraw/zinc/86/06/39/930860639.db2.gz SMFDVXGSXBCTIQ-UHFFFAOYSA-N -1 0 401.463 4.017 20 30 HIEDRM C[C@H](C#N)CN(C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])C1CC1 ZINC000533159754 931793928 /nfs/dbraw/zinc/79/39/28/931793928.db2.gz UTQIKWPCDRBZFD-SECBINFHSA-N -1 0 413.692 4.302 20 30 HIEDRM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000535405145 933119272 /nfs/dbraw/zinc/11/92/72/933119272.db2.gz BKHMCFQJAIKFMI-OAHLLOKOSA-N -1 0 418.927 4.406 20 30 HIEDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000535621488 933272286 /nfs/dbraw/zinc/27/22/86/933272286.db2.gz OZZXSBLBLANVDV-UHFFFAOYSA-N -1 0 401.435 4.026 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)nn1-c1cccc(F)c1 ZINC000538450015 938625383 /nfs/dbraw/zinc/62/53/83/938625383.db2.gz UNENTKUZZGCIKL-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM COCCOc1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccn1 ZINC000540778058 939368863 /nfs/dbraw/zinc/36/88/63/939368863.db2.gz AYUHBYCKMVNDIO-MRXNPFEDSA-N -1 0 413.886 4.374 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3F)n2)cc1C(F)(F)F ZINC000542013267 939684807 /nfs/dbraw/zinc/68/48/07/939684807.db2.gz OKIRBZCFRMDQDL-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM Cn1nnc2ccc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cc21 ZINC000543574803 940116139 /nfs/dbraw/zinc/11/61/39/940116139.db2.gz VRDAZXCSLRBPFW-XYUGOERHSA-N -1 0 417.538 4.383 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000546088414 940696829 /nfs/dbraw/zinc/69/68/29/940696829.db2.gz MUDFPPNPSPCWIK-UHFFFAOYSA-N -1 0 419.222 4.281 20 30 HIEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000546155772 940716459 /nfs/dbraw/zinc/71/64/59/940716459.db2.gz VSANMKGTFQCNIL-GOSISDBHSA-N -1 0 416.462 4.052 20 30 HIEDRM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000546790743 940883687 /nfs/dbraw/zinc/88/36/87/940883687.db2.gz CAFZCXKYLQKNPQ-UHFFFAOYSA-N -1 0 406.872 4.014 20 30 HIEDRM C=C(C)[C@@H](Cc1nc(-c2c[n-]c3c(C)cc(Br)cc3c2=O)no1)OCC ZINC000547191322 941026528 /nfs/dbraw/zinc/02/65/28/941026528.db2.gz ZTUJJFVAMBYVRM-OAHLLOKOSA-N -1 0 418.291 4.173 20 30 HIEDRM C=CCn1c(C)cc(C(=O)Cc2nc(=O)c3snc(-c4ccccc4)c3[n-]2)c1C ZINC000548684567 941119305 /nfs/dbraw/zinc/11/93/05/941119305.db2.gz DLMWFPKLWLEIDN-UHFFFAOYSA-N -1 0 404.495 4.076 20 30 HIEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)cc1 ZINC000551051878 941401260 /nfs/dbraw/zinc/40/12/60/941401260.db2.gz OYHSXZJDVVCQFW-UHFFFAOYSA-N -1 0 422.510 4.045 20 30 HIEDRM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000551469575 941486308 /nfs/dbraw/zinc/48/63/08/941486308.db2.gz DTSJBQORJBOESZ-LBPRGKRZSA-N -1 0 424.931 4.322 20 30 HIEDRM C=CCC(C)(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000556364154 942849992 /nfs/dbraw/zinc/84/99/92/942849992.db2.gz ACQLHCCQKBSPFD-UHFFFAOYSA-N -1 0 403.529 4.376 20 30 HIEDRM N#CC(=C([O-])c1cnc(OCC2CC2)cn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000560217954 944198990 /nfs/dbraw/zinc/19/89/90/944198990.db2.gz QZBFFMVQUVSKFE-LBPRGKRZSA-N -1 0 412.421 4.157 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-c2nc(C3CCCC3)no2)o1 ZINC000564334812 945517651 /nfs/dbraw/zinc/51/76/51/945517651.db2.gz LFONXZSYCRWSST-UHFFFAOYSA-N -1 0 418.862 4.313 20 30 HIEDRM O=S(=O)([N-]c1cc(F)ccc1OC(F)F)c1c(F)cccc1OC(F)(F)F ZINC000564492362 945622438 /nfs/dbraw/zinc/62/24/38/945622438.db2.gz NCQWRVCHVXWMSJ-UHFFFAOYSA-N -1 0 419.274 4.266 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)Cc3cccc(Cl)c3)s2)cc1 ZINC000566760172 946091072 /nfs/dbraw/zinc/09/10/72/946091072.db2.gz JMJBQTCFLHQOSZ-UHFFFAOYSA-N -1 0 403.916 4.201 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1C#N ZINC000567358171 946315556 /nfs/dbraw/zinc/31/55/56/946315556.db2.gz DYMAOGLCKLOPTC-HNNXBMFYSA-N -1 0 423.416 4.160 20 30 HIEDRM C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000568403087 946530130 /nfs/dbraw/zinc/53/01/30/946530130.db2.gz JKKCVCPXVBOGOJ-UHFFFAOYSA-N -1 0 420.542 4.430 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)o2)sc1Cc1cccc(Cl)c1F ZINC000569267538 946844964 /nfs/dbraw/zinc/84/49/64/946844964.db2.gz CLTIDTZMALGYLG-UHFFFAOYSA-N -1 0 411.867 4.100 20 30 HIEDRM N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000571232211 947558334 /nfs/dbraw/zinc/55/83/34/947558334.db2.gz SKESTBYAWMPQJG-UHFFFAOYSA-N -1 0 413.462 4.452 20 30 HIEDRM CCCCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000571251383 947570979 /nfs/dbraw/zinc/57/09/79/947570979.db2.gz WZQQMUAADFIDRQ-MRXNPFEDSA-N -1 0 410.417 4.164 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)F)o1 ZINC000573597272 948246048 /nfs/dbraw/zinc/24/60/48/948246048.db2.gz UQPKMNOSKFOLCH-UHFFFAOYSA-N -1 0 412.361 4.328 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(Cc3ccc(F)cc3)s2)o1 ZINC000574818116 948534592 /nfs/dbraw/zinc/53/45/92/948534592.db2.gz MUZFRLKSKJDZNP-UHFFFAOYSA-N -1 0 403.460 4.016 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2[n-]c1=S ZINC000010323788 845646278 /nfs/dbraw/zinc/64/62/78/845646278.db2.gz YJYWKDGYHZPHJI-UHFFFAOYSA-N -1 0 405.523 4.097 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2cccc(C#N)c2)ccc1F ZINC000011333533 845781988 /nfs/dbraw/zinc/78/19/88/845781988.db2.gz ODDJNLFYDOOEKJ-UHFFFAOYSA-N -1 0 424.453 4.164 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2[n-]c1=S ZINC000012623929 845880286 /nfs/dbraw/zinc/88/02/86/845880286.db2.gz ULEYYRVPGBAACX-UHFFFAOYSA-N -1 0 419.428 4.194 20 30 HIEDRM O=C(COc1cccc2ccccc21)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000026920583 847222379 /nfs/dbraw/zinc/22/23/79/847222379.db2.gz YXJKDSOMLOTXMT-UHFFFAOYSA-N -1 0 420.284 4.327 20 30 HIEDRM O=C([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000028462128 847423389 /nfs/dbraw/zinc/42/33/89/847423389.db2.gz DIOWOEJYLCJCNO-UHFFFAOYSA-N -1 0 409.088 4.449 20 30 HIEDRM CC(C)NS(=O)(=O)Cc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000028695069 847448692 /nfs/dbraw/zinc/44/86/92/847448692.db2.gz OAROGQOUTGFBNF-UFFVCSGVSA-N -1 0 415.342 4.146 20 30 HIEDRM N#Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000032146895 847988930 /nfs/dbraw/zinc/98/89/30/847988930.db2.gz IZNNOBOHFTVCDK-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F ZINC000041501062 848222034 /nfs/dbraw/zinc/22/20/34/848222034.db2.gz UYQJUERSGHUYGP-JTQLQIEISA-N -1 0 419.365 4.305 20 30 HIEDRM Cc1cc(C(C#N)=C([O-])c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)nc(C)n1 ZINC000041561031 848233275 /nfs/dbraw/zinc/23/32/75/848233275.db2.gz JKOMBRXACWBTJM-INIZCTEOSA-N -1 0 418.457 4.032 20 30 HIEDRM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000436663019 861886496 /nfs/dbraw/zinc/88/64/96/861886496.db2.gz KBZASYWVYMUYHG-VFZGTOFNSA-N -1 0 416.113 4.119 20 30 HIEDRM N#CCc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2[O-])cc1 ZINC000436707090 861899115 /nfs/dbraw/zinc/89/91/15/861899115.db2.gz UKYHQUAWRWRESU-UHFFFAOYSA-N -1 0 410.433 4.029 20 30 HIEDRM CCCCN1C(=O)c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2C1=O ZINC000046442480 848849219 /nfs/dbraw/zinc/84/92/19/848849219.db2.gz OIWUYPIVBKVETO-INIZCTEOSA-N -1 0 403.463 4.182 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000048822735 849271506 /nfs/dbraw/zinc/27/15/06/849271506.db2.gz CDLXCEADOZTFFO-HNNXBMFYSA-N -1 0 409.536 4.403 20 30 HIEDRM Cc1nc(-c2ncccn2)sc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000054466198 849871442 /nfs/dbraw/zinc/87/14/42/849871442.db2.gz PZOGIWLPOSMYNF-LLVKDONJSA-N -1 0 410.409 4.143 20 30 HIEDRM N#CC(=C([O-])c1ccccc1SCC(=O)N1CCCC1)c1nc2ccccc2o1 ZINC000054735205 849915457 /nfs/dbraw/zinc/91/54/57/849915457.db2.gz YPXAEKXEEILDGD-MRXNPFEDSA-N -1 0 405.479 4.032 20 30 HIEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)c1 ZINC000055558119 850053374 /nfs/dbraw/zinc/05/33/74/850053374.db2.gz KJJHVXOYJJJYHV-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c(Br)c1 ZINC000055640005 850088680 /nfs/dbraw/zinc/08/86/80/850088680.db2.gz KPUDWPBQFVCGHR-UHFFFAOYSA-N -1 0 409.305 4.241 20 30 HIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCCOc2cccc(C(C)=O)c2)cc1 ZINC000060766195 851208169 /nfs/dbraw/zinc/20/81/69/851208169.db2.gz TYVTUUWRUDYTFD-UHFFFAOYSA-N -1 0 403.500 4.346 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CSCc2cc(-c3cccs3)on2)s1 ZINC000061067236 851286513 /nfs/dbraw/zinc/28/65/13/851286513.db2.gz JQAYDDMAZRPJHM-UHFFFAOYSA-N -1 0 414.555 4.352 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3[nH]c(-c4cccc(F)c4)nc3c2)cc1C#N ZINC000063096824 851616289 /nfs/dbraw/zinc/61/62/89/851616289.db2.gz GCUJWVPDPVKEPY-UHFFFAOYSA-N -1 0 419.441 4.315 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC2(c3ccc(Cl)cc3)CCCC2)cc1C#N ZINC000065767735 852249923 /nfs/dbraw/zinc/24/99/23/852249923.db2.gz FGYONVJYIPMNPZ-UHFFFAOYSA-N -1 0 401.919 4.276 20 30 HIEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1cccc(Cl)c1 ZINC000097592533 852640590 /nfs/dbraw/zinc/64/05/90/852640590.db2.gz UWHMDEYGPCGKEZ-UHFFFAOYSA-N -1 0 412.298 4.264 20 30 HIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000237491567 854044367 /nfs/dbraw/zinc/04/43/67/854044367.db2.gz DJXPXCHJAUHMLI-SNVBAGLBSA-N -1 0 414.405 4.224 20 30 HIEDRM COc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)ccc1OCc1ccccc1 ZINC000254615311 854212665 /nfs/dbraw/zinc/21/26/65/854212665.db2.gz GISAVJITTVUZRV-UHFFFAOYSA-N -1 0 408.405 4.055 20 30 HIEDRM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1)c1cccc(C#N)c1 ZINC000301542947 854417131 /nfs/dbraw/zinc/41/71/31/854417131.db2.gz KIVDTTDXCPPONJ-CYBMUJFWSA-N -1 0 414.437 4.205 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000303354671 854888901 /nfs/dbraw/zinc/88/89/01/854888901.db2.gz OKESWSPZYNKKMU-GFCCVEGCSA-N -1 0 406.920 4.183 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2cccc(C#N)c2)sc1Cc1cccc(Cl)c1 ZINC000409521573 855521771 /nfs/dbraw/zinc/52/17/71/855521771.db2.gz SRWUKJMWHSLWJW-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM Cc1cc(Cl)ccc1Cc1cnc([N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000409526267 855523622 /nfs/dbraw/zinc/52/36/22/855523622.db2.gz AXVAYBWIZWMWRJ-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)ccc1C(F)(F)F ZINC000410331003 855933321 /nfs/dbraw/zinc/93/33/21/855933321.db2.gz RSSNWJOWBDQKTI-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM COc1cncc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)c1 ZINC000410350538 855943543 /nfs/dbraw/zinc/94/35/43/855943543.db2.gz BHSORMAETHYUSC-IBGZPJMESA-N -1 0 413.886 4.200 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(Oc3ccnc4ccccc43)cc2)cc1C#N ZINC000427212255 856715890 /nfs/dbraw/zinc/71/58/90/856715890.db2.gz KEWJVASLBFQTSS-UHFFFAOYSA-N -1 0 416.462 4.403 20 30 HIEDRM CCOc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000429112210 857514566 /nfs/dbraw/zinc/51/45/66/857514566.db2.gz GLDUGWBVVSUBEM-LLVKDONJSA-N -1 0 403.282 4.403 20 30 HIEDRM COCCc1nnc(-c2cccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c2)o1 ZINC000430594012 858231147 /nfs/dbraw/zinc/23/11/47/858231147.db2.gz URQIBRDXLGPOAW-HNNXBMFYSA-N -1 0 410.499 4.170 20 30 HIEDRM CCOc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1OC ZINC000430652498 858249930 /nfs/dbraw/zinc/24/99/30/858249930.db2.gz XQJXOTWAOUABQQ-GFCCVEGCSA-N -1 0 403.460 4.246 20 30 HIEDRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000435154887 860668416 /nfs/dbraw/zinc/66/84/16/860668416.db2.gz IAYKLOUVRXQWDV-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435186830 860685665 /nfs/dbraw/zinc/68/56/65/860685665.db2.gz GFMWJJLCFIYLEL-UHFFFAOYSA-N -1 0 400.426 4.073 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000435198762 860692407 /nfs/dbraw/zinc/69/24/07/860692407.db2.gz QLKRMDDEMXJIJD-UHFFFAOYSA-N -1 0 407.904 4.433 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)c(Cl)c2)s1 ZINC000435477457 860812904 /nfs/dbraw/zinc/81/29/04/860812904.db2.gz OZZBKIAKOKMEHK-UHFFFAOYSA-N -1 0 414.946 4.077 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4s3)n[nH]2)cc1OC ZINC000435481370 860814797 /nfs/dbraw/zinc/81/47/97/860814797.db2.gz KQKKVLSLUZVSAM-ZDUSSCGKSA-N -1 0 404.451 4.194 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000438769106 864263750 /nfs/dbraw/zinc/26/37/50/864263750.db2.gz GIMBMMKLJOXSRJ-UHFFFAOYSA-N -1 0 415.309 4.395 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(SC)cc2)cnn1-c1cccc(C#N)c1 ZINC000438844263 864337770 /nfs/dbraw/zinc/33/77/70/864337770.db2.gz VWXUDVNHWUTXMU-UHFFFAOYSA-N -1 0 412.540 4.219 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccccc2SC)cnn1-c1cccc(C#N)c1 ZINC000438845151 864340267 /nfs/dbraw/zinc/34/02/67/864340267.db2.gz AKLSQLZLMDISCX-UHFFFAOYSA-N -1 0 412.540 4.219 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(F)cc2Cl)cnn1-c1cccc(C#N)c1 ZINC000438847932 864344077 /nfs/dbraw/zinc/34/40/77/864344077.db2.gz OEORCYHQDSICCG-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000439134408 864568211 /nfs/dbraw/zinc/56/82/11/864568211.db2.gz SUUHRQVBEUHEPO-UHFFFAOYSA-N -1 0 420.469 4.438 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(CCc2ccc(C)cc2)Cc2ccco2)cc1C#N ZINC000440465624 865769050 /nfs/dbraw/zinc/76/90/50/865769050.db2.gz RTJHCNMWUZCBTI-UHFFFAOYSA-N -1 0 407.495 4.167 20 30 HIEDRM COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000442817047 867684605 /nfs/dbraw/zinc/68/46/05/867684605.db2.gz LUICJOHXQBUBQM-GFCCVEGCSA-N -1 0 410.542 4.038 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cnn1C(CC)CC ZINC000443409808 867992036 /nfs/dbraw/zinc/99/20/36/867992036.db2.gz OVRNCWOOTVGQRR-UHFFFAOYSA-N -1 0 414.453 4.498 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)c(F)c1 ZINC000443534247 868092656 /nfs/dbraw/zinc/09/26/56/868092656.db2.gz XSBNRTLLBDSSDM-UHFFFAOYSA-N -1 0 424.322 4.108 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(Br)s2)cc1[O-] ZINC000443806405 868341494 /nfs/dbraw/zinc/34/14/94/868341494.db2.gz VUCYUMIXBGARGY-UHFFFAOYSA-N -1 0 400.257 4.402 20 30 HIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000468383115 882326737 /nfs/dbraw/zinc/32/67/37/882326737.db2.gz LNALNELGLRNZDZ-UHFFFAOYSA-N -1 0 417.918 4.032 20 30 HIEDRM N#Cc1c([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000447171041 871064481 /nfs/dbraw/zinc/06/44/81/871064481.db2.gz BPGGTYPDAZFXKB-UHFFFAOYSA-N -1 0 412.290 4.483 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)c1 ZINC000468518814 882527253 /nfs/dbraw/zinc/52/72/53/882527253.db2.gz QQVHHZFQMFAWSJ-CQSZACIVSA-N -1 0 411.907 4.119 20 30 HIEDRM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000468812903 882872482 /nfs/dbraw/zinc/87/24/82/882872482.db2.gz DFWOWYSMFZTMPJ-AWEZNQCLSA-N -1 0 421.432 4.468 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000468855379 882891944 /nfs/dbraw/zinc/89/19/44/882891944.db2.gz HAIBLVSRLHWUPY-UHFFFAOYSA-N -1 0 415.258 4.006 20 30 HIEDRM Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)C2)n1 ZINC000463109786 876148119 /nfs/dbraw/zinc/14/81/19/876148119.db2.gz TWDLXDGPGNRXGI-ZDUSSCGKSA-N -1 0 405.285 4.129 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)cc1 ZINC000463511456 876574314 /nfs/dbraw/zinc/57/43/14/876574314.db2.gz GYZZIEUHTAVQET-UHFFFAOYSA-N -1 0 405.435 4.032 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OCc2cccc(F)c2)c1 ZINC000463531391 876607675 /nfs/dbraw/zinc/60/76/75/876607675.db2.gz IIBGDKNNSQUJLS-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000463778709 876899367 /nfs/dbraw/zinc/89/93/67/876899367.db2.gz BJMVMKKPTLWSJG-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM C[C@H]1CCCN(c2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)ccn2)C1 ZINC000464179539 877350337 /nfs/dbraw/zinc/35/03/37/877350337.db2.gz ATOABTBMYBOWDP-YJBOKZPZSA-N -1 0 403.511 4.326 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1N(C)Cc1ccccc1 ZINC000464416558 877623495 /nfs/dbraw/zinc/62/34/95/877623495.db2.gz JBFDHOXXXBJRCX-UHFFFAOYSA-N -1 0 407.495 4.004 20 30 HIEDRM N#CC(=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464418289 877624324 /nfs/dbraw/zinc/62/43/24/877624324.db2.gz AYJGNJYBARMQBK-LLVKDONJSA-N -1 0 401.247 4.100 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1ccc(F)c(Cl)c1 ZINC000464419897 877628643 /nfs/dbraw/zinc/62/86/43/877628643.db2.gz LNMADIYRVMYLMM-LBPRGKRZSA-N -1 0 423.757 4.272 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc2ncccc21 ZINC000464469274 877690982 /nfs/dbraw/zinc/69/09/82/877690982.db2.gz SAYXEGKBQFXIAF-OAHLLOKOSA-N -1 0 422.370 4.028 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ccc3c(c2)OCO3)n1)c1cc(C(F)(F)F)ccn1 ZINC000464469244 877691014 /nfs/dbraw/zinc/69/10/14/877691014.db2.gz RUEUMCMSDDHADB-LBPRGKRZSA-N -1 0 417.368 4.443 20 30 HIEDRM Cc1nn(C)c(Sc2ccccc2)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000464518306 877740115 /nfs/dbraw/zinc/74/01/15/877740115.db2.gz ZBAMTYSOUOWMAV-MRXNPFEDSA-N -1 0 401.495 4.257 20 30 HIEDRM C[C@H](NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)c1ccc2ccccc2c1 ZINC000465451010 878882296 /nfs/dbraw/zinc/88/22/96/878882296.db2.gz FTZDAXFTRWDTBC-INIZCTEOSA-N -1 0 404.514 4.373 20 30 HIEDRM Cc1cc(Br)ccc1NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000465451880 878882369 /nfs/dbraw/zinc/88/23/69/878882369.db2.gz KNARKFWMYYWTGQ-UHFFFAOYSA-N -1 0 419.323 4.052 20 30 HIEDRM N#CC(=C([O-])c1ccc2nncn2c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000503434665 912438012 /nfs/dbraw/zinc/43/80/12/912438012.db2.gz URPMBSLGVSPNMW-LEJIWSMMSA-N -1 0 403.511 4.144 20 30 HIEDRM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000503530210 912582260 /nfs/dbraw/zinc/58/22/60/912582260.db2.gz BWXSIPPEIQHXSC-AWEZNQCLSA-N -1 0 411.433 4.280 20 30 HIEDRM CCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000503555242 912625507 /nfs/dbraw/zinc/62/55/07/912625507.db2.gz GPHOGUJIFHYJLQ-OAHLLOKOSA-N -1 0 400.360 4.175 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC[C@@H](C)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000470854906 885350189 /nfs/dbraw/zinc/35/01/89/885350189.db2.gz HXOMRLVXAVPAQZ-LLVKDONJSA-N -1 0 409.433 4.323 20 30 HIEDRM CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000504031190 912933855 /nfs/dbraw/zinc/93/38/55/912933855.db2.gz CGIBHGRXHLZUAH-UHFFFAOYSA-N -1 0 419.934 4.273 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)c(Cl)c1 ZINC000504032210 912934170 /nfs/dbraw/zinc/93/41/70/912934170.db2.gz HGBVQNZSTLMATC-UHFFFAOYSA-N -1 0 422.087 4.134 20 30 HIEDRM CCn1nccc1S(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000471932028 886727015 /nfs/dbraw/zinc/72/70/15/886727015.db2.gz VMUOETJZJDFRAJ-QGZVFWFLSA-N -1 0 400.891 4.013 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)nn1CCC#N ZINC000504229741 913100658 /nfs/dbraw/zinc/10/06/58/913100658.db2.gz IWDXXTLRQOBTRM-UHFFFAOYSA-N -1 0 416.890 4.352 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473411873 888129446 /nfs/dbraw/zinc/12/94/46/888129446.db2.gz VCCKEJRRHMKOFD-UHFFFAOYSA-N -1 0 410.948 4.325 20 30 HIEDRM N#CC(=C([O-])c1ccc2nc(C(F)(F)F)cn2c1)c1nc(-c2ccncc2)cs1 ZINC000473490352 888211458 /nfs/dbraw/zinc/21/14/58/888211458.db2.gz OLLAYYMMTZABJO-CYBMUJFWSA-N -1 0 413.384 4.362 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1OC ZINC000473764144 888560323 /nfs/dbraw/zinc/56/03/23/888560323.db2.gz VIMLTBDAWHDJRP-UHFFFAOYSA-N -1 0 403.500 4.135 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)s[n-]1 ZINC000473830138 888663506 /nfs/dbraw/zinc/66/35/06/888663506.db2.gz QHALOANSVMTQSP-HOTGVXAUSA-N -1 0 409.540 4.301 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000475785577 890726680 /nfs/dbraw/zinc/72/66/80/890726680.db2.gz ITPITQDADDOYDJ-UHFFFAOYSA-N -1 0 407.776 4.126 20 30 HIEDRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000476405265 891320769 /nfs/dbraw/zinc/32/07/69/891320769.db2.gz BEFNEGBNMVOHSJ-CYBMUJFWSA-N -1 0 418.540 4.143 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1C#N ZINC000476827833 891809791 /nfs/dbraw/zinc/80/97/91/891809791.db2.gz YQBJCEAPDNUGHC-UHFFFAOYSA-N -1 0 415.478 4.256 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000479060013 894319955 /nfs/dbraw/zinc/31/99/55/894319955.db2.gz MMCXMBRCWTYNLU-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000479135895 894403664 /nfs/dbraw/zinc/40/36/64/894403664.db2.gz PLUKLAXQFCYMRX-UHFFFAOYSA-N -1 0 400.891 4.123 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1NC(=O)C(C)(C)C ZINC000479485025 894806975 /nfs/dbraw/zinc/80/69/75/894806975.db2.gz TWTCOHPAGNQXHP-UHFFFAOYSA-N -1 0 405.907 4.306 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(OCC(F)(F)F)c1 ZINC000479497278 894815552 /nfs/dbraw/zinc/81/55/52/894815552.db2.gz KXOAWNRHLDTOPQ-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)c1 ZINC000479508523 894823226 /nfs/dbraw/zinc/82/32/26/894823226.db2.gz GTOMWOZCGUOKIV-UHFFFAOYSA-N -1 0 422.087 4.134 20 30 HIEDRM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000479524123 894834201 /nfs/dbraw/zinc/83/42/01/894834201.db2.gz RQFCSISCISXWRX-UHFFFAOYSA-N -1 0 415.298 4.081 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1cccc(C)c1 ZINC000480202703 895602587 /nfs/dbraw/zinc/60/25/87/895602587.db2.gz UCCSGXLCRRLNMH-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c(C(F)(F)F)c1 ZINC000480211912 895616115 /nfs/dbraw/zinc/61/61/15/895616115.db2.gz YWNDQOURFQSEPR-UHFFFAOYSA-N -1 0 414.380 4.306 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1cccc(Cl)c1 ZINC000480234785 895640944 /nfs/dbraw/zinc/64/09/44/895640944.db2.gz WGVMNLRKPXGVHW-UHFFFAOYSA-N -1 0 421.309 4.414 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000480235852 895643585 /nfs/dbraw/zinc/64/35/85/895643585.db2.gz ULJYIYOVCRIYGT-UHFFFAOYSA-N -1 0 420.416 4.126 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cnn1C(CC)CC ZINC000480251038 895662916 /nfs/dbraw/zinc/66/29/16/895662916.db2.gz SDYBUNVZQHOPLH-UHFFFAOYSA-N -1 0 414.453 4.498 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2Oc2ccccc2C#N)n1 ZINC000480914920 896274502 /nfs/dbraw/zinc/27/45/02/896274502.db2.gz QGTRSLCECZZCKW-MRXNPFEDSA-N -1 0 417.446 4.474 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)cc1C#N ZINC000482033381 897445252 /nfs/dbraw/zinc/44/52/52/897445252.db2.gz RPYWWLLYDMUTAP-UHFFFAOYSA-N -1 0 421.309 4.141 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)cc2OC2CCCC2)n1 ZINC000482575726 898170442 /nfs/dbraw/zinc/17/04/42/898170442.db2.gz KCAYYFDCXHBKAP-MRXNPFEDSA-N -1 0 414.483 4.140 20 30 HIEDRM Cc1ccc(I)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483199373 898854609 /nfs/dbraw/zinc/85/46/09/898854609.db2.gz MKBAZIRTBBEFIK-CQSZACIVSA-N -1 0 413.218 4.033 20 30 HIEDRM CN(C(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1)c1ccccc1 ZINC000483203418 898856615 /nfs/dbraw/zinc/85/66/15/898856615.db2.gz RUCHAKVOXSXNPO-FQEVSTJZSA-N -1 0 406.445 4.396 20 30 HIEDRM N#CC(=C([O-])c1c[nH]nc1-c1cccc(OC(F)F)c1)c1cnc2ccccc2n1 ZINC000483205996 898858572 /nfs/dbraw/zinc/85/85/72/898858572.db2.gz ZSHGEZACRNYOKI-CQSZACIVSA-N -1 0 405.364 4.111 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cnc2ccccc2n1 ZINC000483229566 898873525 /nfs/dbraw/zinc/87/35/25/898873525.db2.gz BOQLLZSRYCNGIJ-HNNXBMFYSA-N -1 0 407.355 4.324 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1ccc(OC(F)F)cc1 ZINC000483235077 898878762 /nfs/dbraw/zinc/87/87/62/898878762.db2.gz WNHVYJIVLUCLNR-GOSISDBHSA-N -1 0 419.391 4.215 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1cccc2cccnc21 ZINC000483236720 898881296 /nfs/dbraw/zinc/88/12/96/898881296.db2.gz VHXUHXGFNYEOBX-LJQANCHMSA-N -1 0 404.433 4.162 20 30 HIEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000486574147 901716365 /nfs/dbraw/zinc/71/63/65/901716365.db2.gz VICDHGYDFPXEHB-UHFFFAOYSA-N -1 0 419.915 4.068 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)cn1 ZINC000488468945 902840775 /nfs/dbraw/zinc/84/07/75/902840775.db2.gz YKYITUIWNLDWOV-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1C(C)C ZINC000499263018 908639439 /nfs/dbraw/zinc/63/94/39/908639439.db2.gz DEGLGZIRNYRKQQ-UHFFFAOYSA-N -1 0 414.453 4.354 20 30 HIEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1C(C)C ZINC000499297859 908668910 /nfs/dbraw/zinc/66/89/10/908668910.db2.gz AQIAXNFUEUKCNN-UHFFFAOYSA-N -1 0 414.453 4.354 20 30 HIEDRM N#CC(=C([O-])c1ccc(OCC(F)(F)F)nc1)c1nc(-c2ccncc2)cs1 ZINC000512943689 921430414 /nfs/dbraw/zinc/43/04/14/921430414.db2.gz SAJWLHHVVJMCQO-ZDUSSCGKSA-N -1 0 404.373 4.031 20 30 HIEDRM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2NC1=O ZINC000512946781 921431730 /nfs/dbraw/zinc/43/17/30/921431730.db2.gz CYBXETJXOSRGLC-RISCZKNCSA-N -1 0 406.492 4.128 20 30 HIEDRM N#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1cccc(Cl)c1Cl ZINC000499864356 908998309 /nfs/dbraw/zinc/99/83/09/908998309.db2.gz SHRLWTICQYWDLG-CQSZACIVSA-N -1 0 405.216 4.018 20 30 HIEDRM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)s2)c(F)c1 ZINC000500027190 909482589 /nfs/dbraw/zinc/48/25/89/909482589.db2.gz UDMWQQHUWYIXQN-AWEZNQCLSA-N -1 0 421.457 4.336 20 30 HIEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 ZINC000500447697 909865382 /nfs/dbraw/zinc/86/53/82/909865382.db2.gz ALHSXEUORWOSBV-CYBMUJFWSA-N -1 0 422.940 4.419 20 30 HIEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 ZINC000500447703 909865398 /nfs/dbraw/zinc/86/53/98/909865398.db2.gz ALHSXEUORWOSBV-ZDUSSCGKSA-N -1 0 422.940 4.419 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)nc1 ZINC000500872756 910146928 /nfs/dbraw/zinc/14/69/28/910146928.db2.gz AVIGPYVXWPGRHX-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000501315277 910466546 /nfs/dbraw/zinc/46/65/46/910466546.db2.gz VBSUACIXSINJQK-AWEZNQCLSA-N -1 0 416.872 4.175 20 30 HIEDRM COc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000502394492 911378360 /nfs/dbraw/zinc/37/83/60/911378360.db2.gz SKBVZVDUJSARRR-UHFFFAOYSA-N -1 0 414.874 4.160 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1OCC(F)(F)F ZINC000502830841 911844444 /nfs/dbraw/zinc/84/44/44/911844444.db2.gz WEGUPJKZHLBQIB-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1NC(=O)C(C)(C)C ZINC000502831760 911845820 /nfs/dbraw/zinc/84/58/20/911845820.db2.gz STKTVUBKJRFKAH-UHFFFAOYSA-N -1 0 405.907 4.306 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnn1Cc1cccc(Cl)c1Cl ZINC000513377998 921751481 /nfs/dbraw/zinc/75/14/81/921751481.db2.gz NOBHUZBAXCHCIP-UHFFFAOYSA-N -1 0 421.309 4.219 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N(C)C1CCCCC1 ZINC000513377723 921752168 /nfs/dbraw/zinc/75/21/68/921752168.db2.gz MUMWOAPCYCZTDS-UHFFFAOYSA-N -1 0 411.527 4.072 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)CCc3cccc(Cl)c3)s2)cc1 ZINC000506829565 915599882 /nfs/dbraw/zinc/59/98/82/915599882.db2.gz ATSXHEJJUCIHTA-UHFFFAOYSA-N -1 0 417.943 4.243 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)nc2ccccc12 ZINC000508124368 916941291 /nfs/dbraw/zinc/94/12/91/916941291.db2.gz GDQNKVAGGTUKDM-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM C=C(C)CCc1noc(-c2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2C)n1 ZINC000508614551 917383254 /nfs/dbraw/zinc/38/32/54/917383254.db2.gz KBOARSZXHUJUOK-UHFFFAOYSA-N -1 0 413.499 4.363 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000509374868 918041654 /nfs/dbraw/zinc/04/16/54/918041654.db2.gz IGZRLCQZDIAHDI-UHFFFAOYSA-N -1 0 409.311 4.100 20 30 HIEDRM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)c2)cn1 ZINC000509392830 918059766 /nfs/dbraw/zinc/05/97/66/918059766.db2.gz UCGGBHNFMATCSZ-UHFFFAOYSA-N -1 0 413.886 4.392 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)c([N+](=O)[O-])c1 ZINC000509566415 918215102 /nfs/dbraw/zinc/21/51/02/918215102.db2.gz FELOTPPSCXFAPZ-UHFFFAOYSA-N -1 0 409.423 4.368 20 30 HIEDRM O=C([N-][C@@H](C1CC1)C(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000511749584 920428314 /nfs/dbraw/zinc/42/83/14/920428314.db2.gz CNNUFGALVJZGRN-JTQLQIEISA-N -1 0 422.247 4.120 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc2ccccc2s1 ZINC000513665301 921988529 /nfs/dbraw/zinc/98/85/29/921988529.db2.gz CXQHWWSJHOOTJI-LLVKDONJSA-N -1 0 413.384 4.386 20 30 HIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4sc5c(c4c(=O)[nH]3)CCCC5)n[nH]2)o1 ZINC000513696145 922016981 /nfs/dbraw/zinc/01/69/81/922016981.db2.gz SVYMUOTXRLWAMB-LBPRGKRZSA-N -1 0 419.466 4.057 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(OC)c(OC)cc3OC)n2)cc1 ZINC000516270393 923637482 /nfs/dbraw/zinc/63/74/82/923637482.db2.gz VZCZIVAAEDJFQU-MRXNPFEDSA-N -1 0 424.478 4.335 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(-c3ccc(F)cc3)n2)n1 ZINC000516795406 923890242 /nfs/dbraw/zinc/89/02/42/923890242.db2.gz JIJKIULUWSXKAC-GFCCVEGCSA-N -1 0 401.444 4.072 20 30 HIEDRM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)s2)cc1 ZINC000516837592 923914072 /nfs/dbraw/zinc/91/40/72/923914072.db2.gz CRFVTQXTTAPQST-OAHLLOKOSA-N -1 0 403.467 4.197 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc(Cl)c1 ZINC000517305851 924091359 /nfs/dbraw/zinc/09/13/59/924091359.db2.gz HNEAHKNSXWTUQE-CQSZACIVSA-N -1 0 405.767 4.133 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nnn1-c1ccc(C)cc1 ZINC000517305657 924091482 /nfs/dbraw/zinc/09/14/82/924091482.db2.gz DGRVKDBJARLFNR-OAHLLOKOSA-N -1 0 406.396 4.119 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1ccc(F)c(Cl)c1 ZINC000517502440 924233410 /nfs/dbraw/zinc/23/34/10/924233410.db2.gz UBUSNRNEBMXSGX-LBPRGKRZSA-N -1 0 423.757 4.272 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cncc(Br)c3)n2)cc1 ZINC000518516497 927320709 /nfs/dbraw/zinc/32/07/09/927320709.db2.gz HCRJFGPXRMEYPI-OAHLLOKOSA-N -1 0 414.284 4.466 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000518870969 927580395 /nfs/dbraw/zinc/58/03/95/927580395.db2.gz OGDIWWIWDYCUNM-ZDUSSCGKSA-N -1 0 407.405 4.159 20 30 HIEDRM N#Cc1ccccc1COc1cccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000521331448 929144953 /nfs/dbraw/zinc/14/49/53/929144953.db2.gz FCLCYPMHLAZKJD-CMDGGOBGSA-N -1 0 401.378 4.309 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc(Cl)c1 ZINC000521343121 929158659 /nfs/dbraw/zinc/15/86/59/929158659.db2.gz SHHCYZLFSYHEBZ-AWEZNQCLSA-N -1 0 419.794 4.387 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000524674565 929788741 /nfs/dbraw/zinc/78/87/41/929788741.db2.gz PJNSTVDTCOOECK-LBPRGKRZSA-N -1 0 424.931 4.164 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000524674564 929789201 /nfs/dbraw/zinc/78/92/01/929789201.db2.gz PJNSTVDTCOOECK-GFCCVEGCSA-N -1 0 424.931 4.164 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)cc2)c([N+](=O)[O-])c1 ZINC000525482040 930271564 /nfs/dbraw/zinc/27/15/64/930271564.db2.gz YCQYGJONQUWIKL-UHFFFAOYSA-N -1 0 413.386 4.199 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CN(CCC#N)CC(C)(C)C)nc(=O)c3s2)cc1 ZINC000532586263 931544941 /nfs/dbraw/zinc/54/49/41/931544941.db2.gz VPXRWXTVYIZILZ-UHFFFAOYSA-N -1 0 410.543 4.422 20 30 HIEDRM CC(C)(C#N)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000533166483 931797363 /nfs/dbraw/zinc/79/73/63/931797363.db2.gz LBUUNOUWZOPMNW-UHFFFAOYSA-N -1 0 412.389 4.006 20 30 HIEDRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C(F)F)n1 ZINC000534168807 932313316 /nfs/dbraw/zinc/31/33/16/932313316.db2.gz OEFPABUNUOBYLB-UHFFFAOYSA-N -1 0 422.379 4.168 20 30 HIEDRM N#CC(=C([O-])c1ccc(Br)cc1-n1cncn1)c1nc2ccccc2s1 ZINC000534670258 932639383 /nfs/dbraw/zinc/63/93/83/932639383.db2.gz DBROOFDIZRLRLR-CYBMUJFWSA-N -1 0 424.283 4.130 20 30 HIEDRM Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2nc1C(C)(C)C ZINC000535509078 933203421 /nfs/dbraw/zinc/20/34/21/933203421.db2.gz WPTYZWPZBAWFPA-UHFFFAOYSA-N -1 0 402.907 4.197 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000535894395 933475008 /nfs/dbraw/zinc/47/50/08/933475008.db2.gz UIXALNLLBQGZLQ-UHFFFAOYSA-N -1 0 408.882 4.094 20 30 HIEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC000538282480 938582772 /nfs/dbraw/zinc/58/27/72/938582772.db2.gz KNCBQLKGJYHSBD-HNNXBMFYSA-N -1 0 422.350 4.300 20 30 HIEDRM N#C[C@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1cccc(Cl)c1Cl ZINC000563520614 945210697 /nfs/dbraw/zinc/21/06/97/945210697.db2.gz SZQQZFMHQOROLF-AWEZNQCLSA-N -1 0 405.216 4.018 20 30 HIEDRM N#Cc1cccc(OCc2ccoc2C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000539746123 938919347 /nfs/dbraw/zinc/91/93/47/938919347.db2.gz DPBQNBXBCJEATH-UHFFFAOYSA-N -1 0 413.773 4.250 20 30 HIEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000540873873 939406327 /nfs/dbraw/zinc/40/63/27/939406327.db2.gz JBSNXBYVXKOCDO-UHFFFAOYSA-N -1 0 416.462 4.333 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1cc(F)c(OC)cc1F ZINC000544146011 940337606 /nfs/dbraw/zinc/33/76/06/940337606.db2.gz DLQJLOBKLJKVTC-LBPRGKRZSA-N -1 0 416.453 4.367 20 30 HIEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1OC(C)C ZINC000545472199 940571249 /nfs/dbraw/zinc/57/12/49/940571249.db2.gz JAVLTUXFTJXTCV-UHFFFAOYSA-N -1 0 414.405 4.174 20 30 HIEDRM CC[C@H](c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1)c1ccccc1 ZINC000547270132 941049263 /nfs/dbraw/zinc/04/92/63/941049263.db2.gz LYWIKSQSPFMGNQ-AWEZNQCLSA-N -1 0 418.931 4.406 20 30 HIEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000548282832 941093552 /nfs/dbraw/zinc/09/35/52/941093552.db2.gz FIBUKNDYGBWQMY-UHFFFAOYSA-N -1 0 421.400 4.157 20 30 HIEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000548611672 941115108 /nfs/dbraw/zinc/11/51/08/941115108.db2.gz YUPOJYPTIPIYLU-UHFFFAOYSA-N -1 0 423.885 4.055 20 30 HIEDRM Cc1cn(-c2ccc(C#N)cn2)nc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000551474354 941487168 /nfs/dbraw/zinc/48/71/68/941487168.db2.gz YHVXGPFRQRNEPC-UHFFFAOYSA-N -1 0 415.906 4.025 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2Cc2ccc(Cl)cc2)o1 ZINC000554731653 942214509 /nfs/dbraw/zinc/21/45/09/942214509.db2.gz HEVUVMIOLPBLIK-UHFFFAOYSA-N -1 0 412.858 4.003 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000560010759 944129524 /nfs/dbraw/zinc/12/95/24/944129524.db2.gz FOXCUXMVCXDWAF-UHFFFAOYSA-N -1 0 421.812 4.478 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)cc1C#N ZINC000560172532 944185386 /nfs/dbraw/zinc/18/53/86/944185386.db2.gz RUIHAKVCVSZSHC-UHFFFAOYSA-N -1 0 410.524 4.297 20 30 HIEDRM CC(C)(CCC#N)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000565384678 945821124 /nfs/dbraw/zinc/82/11/24/945821124.db2.gz BBZCDLZZWQXGQG-UHFFFAOYSA-N -1 0 419.934 4.201 20 30 HIEDRM C=C[C@](C)(CCOC)c1nc(-c2c[n-]c3c(C)cc(Br)cc3c2=O)no1 ZINC000567545265 946370583 /nfs/dbraw/zinc/37/05/83/946370583.db2.gz SZVPZHJTPWBABP-LJQANCHMSA-N -1 0 418.291 4.129 20 30 HIEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(Cl)ccc2SCC(F)(F)F)c1 ZINC000568703356 946668867 /nfs/dbraw/zinc/66/88/67/946668867.db2.gz UOWTZISRXFOKQC-UHFFFAOYSA-N -1 0 407.826 4.062 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1F ZINC000571056953 947457228 /nfs/dbraw/zinc/45/72/28/947457228.db2.gz VMMUENUZVGMQEF-UHFFFAOYSA-N -1 0 413.430 4.003 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000571371223 947626959 /nfs/dbraw/zinc/62/69/59/947626959.db2.gz YSQHHWFQILMGLQ-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)c1 ZINC000572702950 947990384 /nfs/dbraw/zinc/99/03/84/947990384.db2.gz NKTHVCKGUNCYFZ-SFHVURJKSA-N -1 0 404.850 4.251 20 30 HIEDRM CC(C)(CCC#N)CNC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000574070109 948357485 /nfs/dbraw/zinc/35/74/85/948357485.db2.gz CIVRRURAYWCNLG-UHFFFAOYSA-N -1 0 414.815 4.310 20 30 HIEDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1Cl ZINC000575205844 948629712 /nfs/dbraw/zinc/62/97/12/948629712.db2.gz WZOVFUDQTZIELH-UHFFFAOYSA-N -1 0 423.224 4.276 20 30 HIEDRM C[C@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000575354082 948652526 /nfs/dbraw/zinc/65/25/26/948652526.db2.gz PBWKZRIYIBELJB-JTQLQIEISA-N -1 0 404.797 4.342 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2[n-]c1=S ZINC000009891601 845599191 /nfs/dbraw/zinc/59/91/91/845599191.db2.gz VIQCKLJNMKYGKJ-UHFFFAOYSA-N -1 0 422.535 4.127 20 30 HIEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1OC ZINC000013175003 845907372 /nfs/dbraw/zinc/90/73/72/845907372.db2.gz XIOYBXPATYXLQL-CZIMKVFHSA-N -1 0 415.873 4.259 20 30 HIEDRM COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccn2)cc1CC(=O)[O-] ZINC000025175274 846936738 /nfs/dbraw/zinc/93/67/38/846936738.db2.gz RYJSHXTWCLDOCO-PKNBQFBNSA-N -1 0 403.434 4.192 20 30 HIEDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(Br)c3C#N)cc2)o1 ZINC000436474920 861818190 /nfs/dbraw/zinc/81/81/90/861818190.db2.gz AEWLGAJSGUALML-UHFFFAOYSA-N -1 0 418.272 4.085 20 30 HIEDRM N#CC(=C([O-])c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000041494802 848221162 /nfs/dbraw/zinc/22/11/62/848221162.db2.gz UHOJRVBRCXPBBA-HNNXBMFYSA-N -1 0 410.462 4.362 20 30 HIEDRM C=CCN(CC(F)(F)F)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436662132 861886447 /nfs/dbraw/zinc/88/64/47/861886447.db2.gz HXJDGHJTAVSIJJ-UHFFFAOYSA-N -1 0 417.019 4.108 20 30 HIEDRM C[C@@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)c1ccc(C#N)cc1 ZINC000436667200 861888248 /nfs/dbraw/zinc/88/82/48/861888248.db2.gz WVJUDURAOKKSDV-SECBINFHSA-N -1 0 424.092 4.280 20 30 HIEDRM C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000436731045 861915823 /nfs/dbraw/zinc/91/58/23/861915823.db2.gz ZPOXPSOVVHCOFU-AWEZNQCLSA-N -1 0 420.918 4.027 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCC(=O)Nc2ccccc2F)n1 ZINC000048786758 849267973 /nfs/dbraw/zinc/26/79/73/849267973.db2.gz YTFXWLHDYVVMOO-OAHLLOKOSA-N -1 0 409.442 4.098 20 30 HIEDRM C=CCN1C(=O)c2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)cc2C1=O ZINC000051533377 849481700 /nfs/dbraw/zinc/48/17/00/849481700.db2.gz LXVHCTFFSUUGSZ-GOSISDBHSA-N -1 0 413.458 4.082 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nnn1-c1cccc(C)c1 ZINC000054466152 849871637 /nfs/dbraw/zinc/87/16/37/849871637.db2.gz KHUXUMCDTZFUJG-HNNXBMFYSA-N -1 0 406.396 4.119 20 30 HIEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1OCC ZINC000055564196 850056972 /nfs/dbraw/zinc/05/69/72/850056972.db2.gz KZPPIPZDASUNQH-UHFFFAOYSA-N -1 0 414.405 4.175 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000057125661 850555584 /nfs/dbraw/zinc/55/55/84/850555584.db2.gz XCSJJPRAQPOCMY-UHFFFAOYSA-N -1 0 402.806 4.013 20 30 HIEDRM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000062930370 851607488 /nfs/dbraw/zinc/60/74/88/851607488.db2.gz RXFIJKHAZIDJGC-UHFFFAOYSA-N -1 0 415.298 4.081 20 30 HIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064479128 851908990 /nfs/dbraw/zinc/90/89/90/851908990.db2.gz ALFATIGPXBLHCK-UHFFFAOYSA-N -1 0 424.322 4.405 20 30 HIEDRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000065763861 852247751 /nfs/dbraw/zinc/24/77/51/852247751.db2.gz UAOIJXPZQIANLM-QGZVFWFLSA-N -1 0 401.484 4.053 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2sc3ccc(F)cc3c2C)cc1OC ZINC000065764231 852247903 /nfs/dbraw/zinc/24/79/03/852247903.db2.gz LONBYVWAAPYWQO-UHFFFAOYSA-N -1 0 409.460 4.060 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NCCOc3ccc(C(C)C)cc3)cc2[n-]c1=S ZINC000071961162 852447428 /nfs/dbraw/zinc/44/74/28/852447428.db2.gz YICZNBQRJAWBPB-UHFFFAOYSA-N -1 0 423.538 4.177 20 30 HIEDRM COc1ccc2[nH]cc(CC(=O)[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2c1 ZINC000097465459 852614624 /nfs/dbraw/zinc/61/46/24/852614624.db2.gz UBDKVCSUWFQVBZ-UHFFFAOYSA-N -1 0 412.389 4.083 20 30 HIEDRM CCCCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000105944699 852740645 /nfs/dbraw/zinc/74/06/45/852740645.db2.gz HWDHSOXYEGFLTM-UHFFFAOYSA-N -1 0 404.536 4.193 20 30 HIEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 ZINC000138696333 853394674 /nfs/dbraw/zinc/39/46/74/853394674.db2.gz TWBLWXPHSQVHIO-QGZVFWFLSA-N -1 0 405.479 4.342 20 30 HIEDRM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1 ZINC000142945846 853504498 /nfs/dbraw/zinc/50/44/98/853504498.db2.gz IBQXJARSRKWREY-CQSZACIVSA-N -1 0 400.360 4.093 20 30 HIEDRM Cc1nc2ccccc2c(=O)n1-c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000195557182 853682714 /nfs/dbraw/zinc/68/27/14/853682714.db2.gz AMVJKLDADORJKC-LJQANCHMSA-N -1 0 420.428 4.325 20 30 HIEDRM COc1ccc2cc(C=CC(=O)OCC([O-])=C(C#N)c3nc(C)cs3)ccc2c1 ZINC000213990535 853828246 /nfs/dbraw/zinc/82/82/46/853828246.db2.gz ALFMREDRDGCYMO-KYLNKMBASA-N -1 0 406.463 4.046 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c3c2CCC3)c(F)c1 ZINC000303251190 854836038 /nfs/dbraw/zinc/83/60/38/854836038.db2.gz BJLOZNRDRIFXQT-MRXNPFEDSA-N -1 0 413.456 4.185 20 30 HIEDRM N#C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1 ZINC000314745762 855376763 /nfs/dbraw/zinc/37/67/63/855376763.db2.gz CUEMMBSREYXDSH-ZDUSSCGKSA-N -1 0 420.115 4.299 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)cc(C(F)(F)F)c1 ZINC000390313517 855453618 /nfs/dbraw/zinc/45/36/18/855453618.db2.gz GPJVFJBNSJYARD-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000392461757 855465101 /nfs/dbraw/zinc/46/51/01/855465101.db2.gz NNVKWROBHZWOSJ-UHFFFAOYSA-N -1 0 413.268 4.072 20 30 HIEDRM Cc1c2nc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)sc2ccc1F ZINC000410341496 855938539 /nfs/dbraw/zinc/93/85/39/855938539.db2.gz WKDPFRZRPFUBBO-UHFFFAOYSA-N -1 0 415.393 4.435 20 30 HIEDRM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000410418493 855987128 /nfs/dbraw/zinc/98/71/28/855987128.db2.gz OCNVFCHKETYVRI-UHFFFAOYSA-N -1 0 420.416 4.087 20 30 HIEDRM N#CC(=C([O-])c1cc(Br)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000431259317 858536227 /nfs/dbraw/zinc/53/62/27/858536227.db2.gz OGLSNWCCYSRAKM-LBPRGKRZSA-N -1 0 402.229 4.457 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)cc1Br ZINC000432948953 859442546 /nfs/dbraw/zinc/44/25/46/859442546.db2.gz JZNQYMBYOFOMSF-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)cc1C(C)C ZINC000432956431 859447574 /nfs/dbraw/zinc/44/75/74/859447574.db2.gz SGZIUMFTENSJAN-UHFFFAOYSA-N -1 0 411.574 4.308 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1 ZINC000433491836 859731086 /nfs/dbraw/zinc/73/10/86/859731086.db2.gz BMVPRGWVEBVRDN-UHFFFAOYSA-N -1 0 406.916 4.271 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435487581 860817629 /nfs/dbraw/zinc/81/76/29/860817629.db2.gz SUBDMRIQPQXXJF-UHFFFAOYSA-N -1 0 411.464 4.093 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Nc2ccccc2)s1 ZINC000435488949 860818681 /nfs/dbraw/zinc/81/86/81/860818681.db2.gz HGQBTJJBNWSEAE-UHFFFAOYSA-N -1 0 400.441 4.072 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000438728920 864211684 /nfs/dbraw/zinc/21/16/84/864211684.db2.gz VHXYXKNUISOSLQ-UHFFFAOYSA-N -1 0 407.426 4.471 20 30 HIEDRM C=C(C)C[C@H](C)C(=O)N[C@@H](C(=O)[O-])c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000439932090 865232906 /nfs/dbraw/zinc/23/29/06/865232906.db2.gz WJGNJUAUVJYVPC-KPZWWZAWSA-N -1 0 423.435 4.352 20 30 HIEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000442323805 867327939 /nfs/dbraw/zinc/32/79/39/867327939.db2.gz MHYBYLCZJJXKBC-UHFFFAOYSA-N -1 0 422.462 4.328 20 30 HIEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000442357493 867344415 /nfs/dbraw/zinc/34/44/15/867344415.db2.gz XUBCEUVCZFQBQS-CQSZACIVSA-N -1 0 404.513 4.058 20 30 HIEDRM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1O)c1ccc(F)cc1C(F)(F)F ZINC000442843044 867695028 /nfs/dbraw/zinc/69/50/28/867695028.db2.gz RSKNPHJXKJQDJG-UHFFFAOYSA-N -1 0 419.274 4.250 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1[O-] ZINC000442976617 867772599 /nfs/dbraw/zinc/77/25/99/867772599.db2.gz MPDWLCKVVQHOJF-QFIPXVFZSA-N -1 0 411.461 4.493 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443360788 867927422 /nfs/dbraw/zinc/92/74/22/867927422.db2.gz SURUJUYFFOMPMN-UHFFFAOYSA-N -1 0 422.329 4.127 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443410802 867992923 /nfs/dbraw/zinc/99/29/23/867992923.db2.gz BOWZMXSTIWXFFJ-CQSZACIVSA-N -1 0 402.541 4.453 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000443423783 868007995 /nfs/dbraw/zinc/00/79/95/868007995.db2.gz RYIULKYVQFQZBC-UHFFFAOYSA-N -1 0 419.812 4.237 20 30 HIEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000443958962 868493623 /nfs/dbraw/zinc/49/36/23/868493623.db2.gz DKMFITOQOTZNJC-HNNXBMFYSA-N -1 0 424.778 4.213 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000446773669 870687732 /nfs/dbraw/zinc/68/77/32/870687732.db2.gz CTMFWLHFBLUHBA-UHFFFAOYSA-N -1 0 403.660 4.055 20 30 HIEDRM N#CCCN(CC1CC1)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000447091407 870985328 /nfs/dbraw/zinc/98/53/28/870985328.db2.gz RLIJDUAESBBLCA-UHFFFAOYSA-N -1 0 413.692 4.304 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)c(Cl)c1 ZINC000447264562 871147422 /nfs/dbraw/zinc/14/74/22/871147422.db2.gz NVDPAWKHRXLMNB-UHFFFAOYSA-N -1 0 421.812 4.478 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000447338962 871232957 /nfs/dbraw/zinc/23/29/57/871232957.db2.gz DFFSPJVNDVYKIN-UHFFFAOYSA-N -1 0 400.887 4.210 20 30 HIEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3cnc4ccccc4n3)s2)cc1OC ZINC000447629793 871538570 /nfs/dbraw/zinc/53/85/70/871538570.db2.gz PYEFPJQFXKJEAX-AWEZNQCLSA-N -1 0 416.462 4.261 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000447636102 871551649 /nfs/dbraw/zinc/55/16/49/871551649.db2.gz FXUVSADWMPQCJH-UHFFFAOYSA-N -1 0 423.469 4.253 20 30 HIEDRM C[C@H](NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)c1ccc2c(c1)CCCC2 ZINC000447793171 871728884 /nfs/dbraw/zinc/72/88/84/871728884.db2.gz DRFYBOWMCOGQIT-INIZCTEOSA-N -1 0 408.546 4.099 20 30 HIEDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c1 ZINC000448054983 871884730 /nfs/dbraw/zinc/88/47/30/871884730.db2.gz STIRNMUAXDBPBN-UHFFFAOYSA-N -1 0 407.451 4.139 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)cc1C#N ZINC000448519802 872504629 /nfs/dbraw/zinc/50/46/29/872504629.db2.gz LDJFTWCISOKSTD-UHFFFAOYSA-N -1 0 419.959 4.431 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)onc1C(F)(F)F ZINC000460587276 873324432 /nfs/dbraw/zinc/32/44/32/873324432.db2.gz VFQLKSDHXRJJME-UHFFFAOYSA-N -1 0 406.279 4.215 20 30 HIEDRM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000468915180 882973990 /nfs/dbraw/zinc/97/39/90/882973990.db2.gz KCEGAEDBQILEIJ-NSHDSACASA-N -1 0 415.298 4.080 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000463521962 876589978 /nfs/dbraw/zinc/58/99/78/876589978.db2.gz WLGREXLOMRWEQD-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cc(C(F)(F)F)ccn1 ZINC000464406023 877609472 /nfs/dbraw/zinc/60/94/72/877609472.db2.gz NEZXWJFBMYXNSD-MRXNPFEDSA-N -1 0 414.362 4.404 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1ccc(F)c(Cl)c1 ZINC000464419895 877628679 /nfs/dbraw/zinc/62/86/79/877628679.db2.gz LNMADIYRVMYLMM-GFCCVEGCSA-N -1 0 423.757 4.272 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(Cc2ccc(C)c(C)c2)s1 ZINC000464425501 877636876 /nfs/dbraw/zinc/63/68/76/877636876.db2.gz JUURORNRHHSYFA-UHFFFAOYSA-N -1 0 413.524 4.032 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1ccccc1Cl ZINC000464463094 877684283 /nfs/dbraw/zinc/68/42/83/877684283.db2.gz BADARIOELODDSA-GFCCVEGCSA-N -1 0 405.767 4.133 20 30 HIEDRM CCCCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464463109 877684651 /nfs/dbraw/zinc/68/46/51/877684651.db2.gz BCEQYMDQMLJDGG-MRXNPFEDSA-N -1 0 410.417 4.164 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc2cnccc21 ZINC000464467271 877689331 /nfs/dbraw/zinc/68/93/31/877689331.db2.gz MSIKQPGRWCITQF-INIZCTEOSA-N -1 0 422.370 4.028 20 30 HIEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000464506406 877730701 /nfs/dbraw/zinc/73/07/01/877730701.db2.gz KBAYWUILHAPGEJ-MRXNPFEDSA-N -1 0 401.451 4.094 20 30 HIEDRM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1Cl ZINC000464535658 877750910 /nfs/dbraw/zinc/75/09/10/877750910.db2.gz QINWFMBSFFGIBI-UHFFFAOYSA-N -1 0 401.271 4.073 20 30 HIEDRM COc1ccc(C(=O)Nc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)s2)cc1 ZINC000467083928 880853845 /nfs/dbraw/zinc/85/38/45/880853845.db2.gz IIIFHOYAZASYBS-HNNXBMFYSA-N -1 0 416.462 4.375 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000503819822 912830585 /nfs/dbraw/zinc/83/05/85/912830585.db2.gz BLZZJCMMBVMCPP-AWEZNQCLSA-N -1 0 408.323 4.159 20 30 HIEDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000471569492 886279691 /nfs/dbraw/zinc/27/96/91/886279691.db2.gz HMHKIBBVDDQDNK-CQSZACIVSA-N -1 0 400.891 4.127 20 30 HIEDRM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000471906722 886690135 /nfs/dbraw/zinc/69/01/35/886690135.db2.gz RCOFWFVTCSCTJF-UHFFFAOYSA-N -1 0 417.231 4.031 20 30 HIEDRM CCn1cc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)nc1C ZINC000504259265 913123936 /nfs/dbraw/zinc/12/39/36/913123936.db2.gz HACULRNFXNHKTQ-GOSISDBHSA-N -1 0 414.918 4.321 20 30 HIEDRM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000473472940 888197275 /nfs/dbraw/zinc/19/72/75/888197275.db2.gz SITRSQVALAQAPQ-AWEZNQCLSA-N -1 0 418.540 4.224 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000473767804 888565323 /nfs/dbraw/zinc/56/53/23/888565323.db2.gz UTRUOVKIQCLWCK-UHFFFAOYSA-N -1 0 418.471 4.034 20 30 HIEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473836397 888674394 /nfs/dbraw/zinc/67/43/94/888674394.db2.gz NMSIWKAFJOOCKB-UHFFFAOYSA-N -1 0 400.529 4.226 20 30 HIEDRM Cc1cc(=O)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1-c1cccc(Cl)c1 ZINC000474446235 889311693 /nfs/dbraw/zinc/31/16/93/889311693.db2.gz OFXHJOCHOZRAOH-OAHLLOKOSA-N -1 0 412.902 4.264 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1OCC(F)(F)F ZINC000475809014 890743325 /nfs/dbraw/zinc/74/33/25/890743325.db2.gz HAWVYQCJQOIXQA-UHFFFAOYSA-N -1 0 404.797 4.148 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(-c2nc(C3CC3)no2)c1 ZINC000476410836 891324085 /nfs/dbraw/zinc/32/40/85/891324085.db2.gz XHOGVMQRIJOUHG-UHFFFAOYSA-N -1 0 414.874 4.248 20 30 HIEDRM N#Cc1ccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1C(F)(F)F ZINC000479130309 894398318 /nfs/dbraw/zinc/39/83/18/894398318.db2.gz CURALOUYAGPVKL-UHFFFAOYSA-N -1 0 408.323 4.483 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000479130827 894400187 /nfs/dbraw/zinc/40/01/87/894400187.db2.gz LKJMJRNIVTWBQE-UHFFFAOYSA-N -1 0 419.222 4.226 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479519475 894829554 /nfs/dbraw/zinc/82/95/54/894829554.db2.gz TXUFDQRQXWSJRQ-UHFFFAOYSA-N -1 0 408.464 4.156 20 30 HIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1[N+](=O)[O-] ZINC000480175789 895567010 /nfs/dbraw/zinc/56/70/10/895567010.db2.gz CIQLMKWGOWCBAD-LBPRGKRZSA-N -1 0 405.501 4.264 20 30 HIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1[N+](=O)[O-] ZINC000480199448 895597128 /nfs/dbraw/zinc/59/71/28/895597128.db2.gz VNZDPAWPGBFPGW-AWEZNQCLSA-N -1 0 405.501 4.407 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccccc2C#N)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000480238444 895648271 /nfs/dbraw/zinc/64/82/71/895648271.db2.gz BJPLIGVEMLWVIE-UHFFFAOYSA-N -1 0 420.416 4.126 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1-c1ncco1 ZINC000481586280 896966190 /nfs/dbraw/zinc/96/61/90/896966190.db2.gz LFEWHXAFNSOFJS-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM CN(C)C(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000481879515 897252546 /nfs/dbraw/zinc/25/25/46/897252546.db2.gz PJLMKSRLLKGPRG-AWEZNQCLSA-N -1 0 411.433 4.280 20 30 HIEDRM C=C(C)CN(C)C(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000482157510 897620968 /nfs/dbraw/zinc/62/09/68/897620968.db2.gz GYQMCTWHWODLTD-UHFFFAOYSA-N -1 0 400.544 4.369 20 30 HIEDRM COc1cncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000482587704 898186039 /nfs/dbraw/zinc/18/60/39/898186039.db2.gz VJSFCNDMLHKDEI-LLVKDONJSA-N -1 0 405.266 4.406 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1cccc2cnccc21 ZINC000483190213 898849113 /nfs/dbraw/zinc/84/91/13/898849113.db2.gz CURBJLKCQFVFLU-HXUWFJFHSA-N -1 0 404.433 4.162 20 30 HIEDRM Cc1cc(NC(=O)c2ccco2)sc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483192152 898849864 /nfs/dbraw/zinc/84/98/64/898849864.db2.gz CJTLCWQGNJHCGC-CYBMUJFWSA-N -1 0 402.435 4.335 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1ccc2ncccc2c1 ZINC000483204424 898857760 /nfs/dbraw/zinc/85/77/60/898857760.db2.gz RACNFXZVXWVLGF-HXUWFJFHSA-N -1 0 404.433 4.162 20 30 HIEDRM CCCc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1-c1ccccc1Cl ZINC000483205388 898858636 /nfs/dbraw/zinc/85/86/36/898858636.db2.gz SPNURIGZKLHPAM-CQSZACIVSA-N -1 0 416.872 4.306 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2C(F)(F)F)nn1)c1nccc2ccccc21 ZINC000483226558 898870143 /nfs/dbraw/zinc/87/01/43/898870143.db2.gz JXAXHWFYHJWDSD-HNNXBMFYSA-N -1 0 407.355 4.324 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1ccc(OC(C)C)cc1 ZINC000483244203 898886577 /nfs/dbraw/zinc/88/65/77/898886577.db2.gz ZQJWMGWAMKUYNO-OAQYLSRUSA-N -1 0 411.465 4.401 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)ccc2OC(F)F)n1 ZINC000484551402 900029173 /nfs/dbraw/zinc/02/91/73/900029173.db2.gz IWDRMQPAYJVKJW-JTQLQIEISA-N -1 0 400.790 4.065 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485395349 900691997 /nfs/dbraw/zinc/69/19/97/900691997.db2.gz NGNRERDYPOUEMU-UHFFFAOYSA-N -1 0 414.712 4.207 20 30 HIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC000485666576 900916820 /nfs/dbraw/zinc/91/68/20/900916820.db2.gz GRUQXISFJHCBSO-UHFFFAOYSA-N -1 0 409.891 4.092 20 30 HIEDRM C=CCOc1ccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1OC ZINC000486410006 901569135 /nfs/dbraw/zinc/56/91/35/901569135.db2.gz ROJBICUVZQOGJM-NRFANRHFSA-N -1 0 419.477 4.087 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2cccc(C(F)(F)F)c2)nn1C ZINC000486580686 901722674 /nfs/dbraw/zinc/72/26/74/901722674.db2.gz KAIRQASGJFETKY-UHFFFAOYSA-N -1 0 420.416 4.087 20 30 HIEDRM C=CCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1cccc(OC)c1 ZINC000488879131 903056117 /nfs/dbraw/zinc/05/61/17/903056117.db2.gz JQPNURFQIYAEPU-UHFFFAOYSA-N -1 0 411.512 4.142 20 30 HIEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000492157649 904807950 /nfs/dbraw/zinc/80/79/50/904807950.db2.gz LPWMCJOGFKYEFI-UHFFFAOYSA-N -1 0 419.915 4.068 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3csc(-c4cnn(C)c4)n3)n2)cc1 ZINC000512503713 921204231 /nfs/dbraw/zinc/20/42/31/921204231.db2.gz LLZBQOKIFYIDOB-HNNXBMFYSA-N -1 0 421.507 4.166 20 30 HIEDRM Cc1cnn(-c2c(C([O-])=C(C#N)c3nc(-c4ccc(C)cc4)cs3)c(C)nn2C)c1 ZINC000495133364 906262780 /nfs/dbraw/zinc/26/27/80/906262780.db2.gz SGVOSLDXHOJHEL-QGZVFWFLSA-N -1 0 416.510 4.145 20 30 HIEDRM COc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000495240510 906328877 /nfs/dbraw/zinc/32/88/77/906328877.db2.gz DEJISTAQXLQDJJ-GFCCVEGCSA-N -1 0 415.377 4.495 20 30 HIEDRM N#CC(=C([O-])c1cnc(C(F)(F)F)c(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000496362011 906666868 /nfs/dbraw/zinc/66/68/68/906666868.db2.gz ZIVVDMJALHAKDO-LLVKDONJSA-N -1 0 405.286 4.207 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Br)c(CC)s2)n1 ZINC000497414049 906889410 /nfs/dbraw/zinc/88/94/10/906889410.db2.gz CNOORKHHHDIMIE-MRVPVSSYSA-N -1 0 413.318 4.196 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4o3)c3c2CCC3)c(F)c1 ZINC000499588884 908848992 /nfs/dbraw/zinc/84/89/92/908848992.db2.gz IADMXRUCNFOMIW-HNNXBMFYSA-N -1 0 400.413 4.440 20 30 HIEDRM N#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000500012997 909468926 /nfs/dbraw/zinc/46/89/26/909468926.db2.gz XZWANPUJGGNXHL-HNNXBMFYSA-N -1 0 405.216 4.018 20 30 HIEDRM CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1-c1ccccc1Cl ZINC000501316638 910467704 /nfs/dbraw/zinc/46/77/04/910467704.db2.gz WQIUFYXVGGEREG-CQSZACIVSA-N -1 0 418.888 4.250 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502811143 911827734 /nfs/dbraw/zinc/82/77/34/911827734.db2.gz BGUZWGBSJJHGMV-UHFFFAOYSA-N -1 0 424.869 4.380 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000502832070 911845383 /nfs/dbraw/zinc/84/53/83/911845383.db2.gz YHUFPXYVOAPCPJ-UHFFFAOYSA-N -1 0 415.858 4.166 20 30 HIEDRM O=S(=O)([N-]c1ccc(F)cc1OCC(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000506650531 915320749 /nfs/dbraw/zinc/32/07/49/915320749.db2.gz YXPWNKYLNPTHKO-UHFFFAOYSA-N -1 0 421.265 4.124 20 30 HIEDRM CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)ccc2O1 ZINC000507587776 916342724 /nfs/dbraw/zinc/34/27/24/916342724.db2.gz XBUUWVUHLUZHEY-UHFFFAOYSA-N -1 0 424.400 4.122 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508069172 916892212 /nfs/dbraw/zinc/89/22/12/916892212.db2.gz PXTWFKCITQJBLE-INIZCTEOSA-N -1 0 413.808 4.275 20 30 HIEDRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1nnc(-c2cccc(C#N)c2)o1 ZINC000508239273 917057177 /nfs/dbraw/zinc/05/71/77/917057177.db2.gz ZQVNFOZMRKQZJJ-UHFFFAOYSA-N -1 0 410.499 4.323 20 30 HIEDRM C=CCn1c(-c2cc3ccccc3o2)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000508823420 917577556 /nfs/dbraw/zinc/57/75/56/917577556.db2.gz CRCWPVGRVHYUOT-UHFFFAOYSA-N -1 0 418.482 4.224 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)c(C)cc1Br ZINC000509237110 917933805 /nfs/dbraw/zinc/93/38/05/917933805.db2.gz FJSMXNWOIISQQA-UHFFFAOYSA-N -1 0 423.336 4.050 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000509246816 917940886 /nfs/dbraw/zinc/94/08/86/917940886.db2.gz IXVDHAHNCBWTQX-UHFFFAOYSA-N -1 0 418.828 4.343 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)cc1Cl ZINC000509384380 918050484 /nfs/dbraw/zinc/05/04/84/918050484.db2.gz LXABRGSBBCZGJL-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1F ZINC000509567443 918217643 /nfs/dbraw/zinc/21/76/43/918217643.db2.gz JMCANXBFLKQSPY-UHFFFAOYSA-N -1 0 413.430 4.003 20 30 HIEDRM CO[C@H](C)c1nc(=NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s[n-]1 ZINC000511116862 919728653 /nfs/dbraw/zinc/72/86/53/919728653.db2.gz UTFIOBMJOILAQO-LLVKDONJSA-N -1 0 414.874 4.237 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000511272933 919870298 /nfs/dbraw/zinc/87/02/98/919870298.db2.gz RYQLPPRNZFJQKI-UHFFFAOYSA-N -1 0 400.378 4.045 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(=O)N(C)C)nc3C)n2)cc1 ZINC000511754865 920433970 /nfs/dbraw/zinc/43/39/70/920433970.db2.gz JWBRWNSDQANQNZ-QGZVFWFLSA-N -1 0 404.495 4.014 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c3O[C@H](C)C(=O)N4)n2)cc1 ZINC000511757090 920437377 /nfs/dbraw/zinc/43/73/77/920437377.db2.gz NZAAYOKEVMXZSU-CJNGLKHVSA-N -1 0 403.463 4.328 20 30 HIEDRM Cc1c(Br)cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000511869343 920595111 /nfs/dbraw/zinc/59/51/11/920595111.db2.gz QQNMPNWRWSXZKX-LBPRGKRZSA-N -1 0 413.231 4.043 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)c(Br)c2)n1 ZINC000511888755 920624649 /nfs/dbraw/zinc/62/46/49/920624649.db2.gz YWOKBEZCAUXENW-SECBINFHSA-N -1 0 413.680 4.226 20 30 HIEDRM Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000515610961 923214279 /nfs/dbraw/zinc/21/42/79/923214279.db2.gz ULAKRNBYEAAGNI-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM COC(=O)COc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000516465008 923745942 /nfs/dbraw/zinc/74/59/42/923745942.db2.gz JLXLJAREFXGANI-GOSISDBHSA-N -1 0 406.463 4.160 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C)nc4c3c(C)nn4C)n2)cc1 ZINC000517801073 926842148 /nfs/dbraw/zinc/84/21/48/926842148.db2.gz WZPWANQDPRLJLK-KRWDZBQOSA-N -1 0 417.494 4.207 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cn(-c4ccc(C)cc4)nn3)n2)cc1 ZINC000517800918 926842440 /nfs/dbraw/zinc/84/24/40/926842440.db2.gz PDDSCYPTKUOXMC-GOSISDBHSA-N -1 0 415.478 4.198 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(Cc3ccccc3)nc2C)n1 ZINC000517915356 926889152 /nfs/dbraw/zinc/88/91/52/926889152.db2.gz BRLKQOYUEFYFHP-CQSZACIVSA-N -1 0 411.508 4.166 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000517919037 926890094 /nfs/dbraw/zinc/89/00/94/926890094.db2.gz YRCLYRPYXBOREW-GFCCVEGCSA-N -1 0 401.444 4.016 20 30 HIEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000518241809 927102478 /nfs/dbraw/zinc/10/24/78/927102478.db2.gz IAKZTDXMQYWNBR-CYBMUJFWSA-N -1 0 405.501 4.352 20 30 HIEDRM N#Cc1cccc(OCCCCC(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)c1 ZINC000518381913 927230957 /nfs/dbraw/zinc/23/09/57/927230957.db2.gz IYPKJLAZXCAILS-UHFFFAOYSA-N -1 0 412.902 4.340 20 30 HIEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cn2)cc1 ZINC000518852650 927557874 /nfs/dbraw/zinc/55/78/74/927557874.db2.gz HKXRCBXYLLBOJT-QGZVFWFLSA-N -1 0 421.407 4.175 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)o1 ZINC000520451056 928571763 /nfs/dbraw/zinc/57/17/63/928571763.db2.gz BIOBLAXJSAEPLC-UHFFFAOYSA-N -1 0 416.846 4.249 20 30 HIEDRM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000524955631 929918422 /nfs/dbraw/zinc/91/84/22/929918422.db2.gz XUZWJRFQCIUPHT-UHFFFAOYSA-N -1 0 420.469 4.360 20 30 HIEDRM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])cc2s1 ZINC000525481010 930270449 /nfs/dbraw/zinc/27/04/49/930270449.db2.gz YBCNJCLWSBXMOS-UHFFFAOYSA-N -1 0 402.457 4.000 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)c([N+](=O)[O-])c1 ZINC000525482416 930271629 /nfs/dbraw/zinc/27/16/29/930271629.db2.gz QGTNDMVZAGXVAM-UHFFFAOYSA-N -1 0 403.485 4.302 20 30 HIEDRM Cc1cc(Br)cc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)oc21 ZINC000525859603 930469667 /nfs/dbraw/zinc/46/96/67/930469667.db2.gz LWYKSDVBIOHZFY-CQSZACIVSA-N -1 0 413.275 4.312 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)cc1C#N ZINC000531225237 930973966 /nfs/dbraw/zinc/97/39/66/930973966.db2.gz NRQMNSMQJKDBPD-HNNXBMFYSA-N -1 0 418.316 4.121 20 30 HIEDRM C=C(C)[C@H](CC(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1)OCC ZINC000534466772 932484589 /nfs/dbraw/zinc/48/45/89/932484589.db2.gz VKISRZAXMIXMSY-YJBOKZPZSA-N -1 0 422.572 4.097 20 30 HIEDRM N#CC(=C([O-])c1csc([C@@H]2CCCO2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000535206737 933014254 /nfs/dbraw/zinc/01/42/54/933014254.db2.gz SHEBUGMAQGUBBI-PBHICJAKSA-N -1 0 406.492 4.480 20 30 HIEDRM N#Cc1nc(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)[n-]c1C#N ZINC000535512811 933205846 /nfs/dbraw/zinc/20/58/46/933205846.db2.gz AHPYGAWQTHDSOQ-UHFFFAOYSA-N -1 0 411.252 4.385 20 30 HIEDRM CC(C)(C)c1[n-]n(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c(=O)c1CCC#N ZINC000536152803 933689358 /nfs/dbraw/zinc/68/93/58/933689358.db2.gz XIJKGXKCHWVQKB-UHFFFAOYSA-N -1 0 414.525 4.309 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1ccc(Cl)cc1Cl ZINC000538486388 938633012 /nfs/dbraw/zinc/63/30/12/938633012.db2.gz ISWNACPZISWORL-CQSZACIVSA-N -1 0 400.269 4.384 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000539415351 938857362 /nfs/dbraw/zinc/85/73/62/938857362.db2.gz CYVOKXMWJFYZHZ-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc(-c3ccccc3Cl)n2)n1 ZINC000539584314 938883658 /nfs/dbraw/zinc/88/36/58/938883658.db2.gz NUMRCSMBOMMKRB-LLVKDONJSA-N -1 0 401.831 4.118 20 30 HIEDRM C=CCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc(OC)c1OC ZINC000762206274 939071342 /nfs/dbraw/zinc/07/13/42/939071342.db2.gz MMXXODCHIHDBEG-OAQYLSRUSA-N -1 0 405.450 4.141 20 30 HIEDRM CC(C)(C)c1[n-]n(CCc2cc(Cl)c3c(c2)OCCCO3)c(=O)c1CCC#N ZINC000540484220 939270987 /nfs/dbraw/zinc/27/09/87/939270987.db2.gz ATUSPPDLDLFIJV-UHFFFAOYSA-N -1 0 403.910 4.400 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000540778063 939369020 /nfs/dbraw/zinc/36/90/20/939369020.db2.gz BEJVSKGXOQMXNG-AWEZNQCLSA-N -1 0 400.269 4.384 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c2cnn(C(C)C)c2n1 ZINC000540779006 939369426 /nfs/dbraw/zinc/36/94/26/939369426.db2.gz CRLVHAOQUYPPPE-INIZCTEOSA-N -1 0 402.483 4.329 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)c(Cl)c1 ZINC000541125633 939469876 /nfs/dbraw/zinc/46/98/76/939469876.db2.gz BGGHYZNLOULNIT-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#Cc1ccc(-n2ccc(NC(=O)c3ccc(Br)c([O-])c3)n2)c(Cl)c1 ZINC000541163917 939482836 /nfs/dbraw/zinc/48/28/36/939482836.db2.gz XXUOUEFOWJISHR-UHFFFAOYSA-N -1 0 417.650 4.118 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1cccc(F)c1 ZINC000541305691 939490320 /nfs/dbraw/zinc/49/03/20/939490320.db2.gz QDICPODNGXJWML-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)c1Cl ZINC000542050140 939699246 /nfs/dbraw/zinc/69/92/46/939699246.db2.gz GQNQFEWFSQJPPQ-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2ccc(Br)s2)cc1C#N ZINC000542415001 939817236 /nfs/dbraw/zinc/81/72/36/939817236.db2.gz BEIGETXVHZCJPK-NSHDSACASA-N -1 0 424.345 4.182 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)cc1C#N ZINC000542415000 939817339 /nfs/dbraw/zinc/81/73/39/939817339.db2.gz BEIGETXVHZCJPK-LLVKDONJSA-N -1 0 424.345 4.182 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(O[C@@H]4CCOC4)c3)n2)cc1 ZINC000544547849 940476790 /nfs/dbraw/zinc/47/67/90/940476790.db2.gz YORXKGFLMWBBRV-QZTJIDSGSA-N -1 0 405.479 4.171 20 30 HIEDRM N#CC(=C([O-])c1cc2cc(Br)cc(Br)c2o1)c1ccncn1 ZINC000544814890 940516867 /nfs/dbraw/zinc/51/68/67/940516867.db2.gz NSWRVJRUSKQSSK-JTQLQIEISA-N -1 0 421.048 4.238 20 30 HIEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000547243009 941041484 /nfs/dbraw/zinc/04/14/84/941041484.db2.gz HZFUDPSVPSIXNS-UHFFFAOYSA-N -1 0 424.478 4.177 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c(Cl)c1 ZINC000547264092 941047624 /nfs/dbraw/zinc/04/76/24/941047624.db2.gz PZKDXWAHUHSEIX-UHFFFAOYSA-N -1 0 411.295 4.184 20 30 HIEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000549411911 941187323 /nfs/dbraw/zinc/18/73/23/941187323.db2.gz CLKVJSLLQLDDEP-QGZVFWFLSA-N -1 0 403.442 4.328 20 30 HIEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc3ccccc3s2)c1 ZINC000555119965 942390555 /nfs/dbraw/zinc/39/05/55/942390555.db2.gz UXAXHIQJDRHBMR-UHFFFAOYSA-N -1 0 410.455 4.170 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)cc1C#N ZINC000557405877 943108137 /nfs/dbraw/zinc/10/81/37/943108137.db2.gz PCXYRNJZJKWTOK-KRWDZBQOSA-N -1 0 403.454 4.083 20 30 HIEDRM CCc1oc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C(=O)OC ZINC000558865414 943707709 /nfs/dbraw/zinc/70/77/09/943707709.db2.gz INWMHDYTLJYQCQ-HNNXBMFYSA-N -1 0 405.435 4.114 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)c(Cl)c1 ZINC000566938575 946176942 /nfs/dbraw/zinc/17/69/42/946176942.db2.gz UDAPTXXPZPUWFW-UHFFFAOYSA-N -1 0 419.915 4.068 20 30 HIEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1 ZINC000567390052 946322177 /nfs/dbraw/zinc/32/21/77/946322177.db2.gz ZZLDIJGXOWBGQI-OAHLLOKOSA-N -1 0 406.788 4.074 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1F ZINC000570327722 947203578 /nfs/dbraw/zinc/20/35/78/947203578.db2.gz ATPYEMXSVDWJMS-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1C1CC1 ZINC000571317115 947592213 /nfs/dbraw/zinc/59/22/13/947592213.db2.gz DSJPLNKOCDAFFH-UHFFFAOYSA-N -1 0 412.437 4.108 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccc(C(F)F)cc3)s2)cc1 ZINC000572037520 947831482 /nfs/dbraw/zinc/83/14/82/947831482.db2.gz LKRDQODTXPMMJZ-UHFFFAOYSA-N -1 0 405.451 4.344 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(-c2ccc(Cl)cc2)s1 ZINC000573295706 948152081 /nfs/dbraw/zinc/15/20/81/948152081.db2.gz GTJPWZDKWKSARU-UHFFFAOYSA-N -1 0 405.888 4.145 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(SC(F)(F)F)cc2)n1 ZINC000007144816 845263532 /nfs/dbraw/zinc/26/35/32/845263532.db2.gz QCGIUDNDAWDHBW-LBPRGKRZSA-N -1 0 400.403 4.097 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc4nc(C)sc4c3)cc2[n-]c1=S ZINC000010558078 845675771 /nfs/dbraw/zinc/67/57/71/845675771.db2.gz CGOSGYCJDWIKKR-UHFFFAOYSA-N -1 0 408.508 4.416 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4)c(C)c3)cc2[n-]c1=S ZINC000011325798 845779621 /nfs/dbraw/zinc/77/96/21/845779621.db2.gz ZAPOJNGCNAFHLC-UHFFFAOYSA-N -1 0 420.538 4.406 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2[n-]c1=S ZINC000012828717 845892854 /nfs/dbraw/zinc/89/28/54/845892854.db2.gz XSVVFNAGBQVRSU-UHFFFAOYSA-N -1 0 412.540 4.223 20 30 HIEDRM CC(C)NS(=O)(=O)Cc1ccccc1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000017701597 846264181 /nfs/dbraw/zinc/26/41/81/846264181.db2.gz JMBABQFQNOWDKD-UFFVCSGVSA-N -1 0 415.342 4.146 20 30 HIEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000029329515 847546507 /nfs/dbraw/zinc/54/65/07/847546507.db2.gz BLYHVRKTAMXTNW-UHFFFAOYSA-N -1 0 400.287 4.102 20 30 HIEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000029330869 847546744 /nfs/dbraw/zinc/54/67/44/847546744.db2.gz QZKVIULBWLRXNH-UHFFFAOYSA-N -1 0 406.316 4.163 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCc4ccccc43)cc2[n-]c1=S ZINC000030691137 847759497 /nfs/dbraw/zinc/75/94/97/847759497.db2.gz HYRXVSGEDQKGLM-QGZVFWFLSA-N -1 0 405.523 4.095 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3[O-])c(Cl)c2)[nH]1 ZINC000436662616 861886689 /nfs/dbraw/zinc/88/66/89/861886689.db2.gz ZPASCHLEXDZCCD-UHFFFAOYSA-N -1 0 415.236 4.403 20 30 HIEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436716516 861901982 /nfs/dbraw/zinc/90/19/82/861901982.db2.gz QDTMWHUYSWSTEG-UHFFFAOYSA-N -1 0 414.683 4.112 20 30 HIEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393225 849308552 /nfs/dbraw/zinc/30/85/52/849308552.db2.gz PPYGMWUANRYONE-HNNXBMFYSA-N -1 0 418.844 4.396 20 30 HIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051897024 849526900 /nfs/dbraw/zinc/52/69/00/849526900.db2.gz PEGHLHNBPUVYEN-MDZDMXLPSA-N -1 0 415.452 4.024 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000055550843 850050982 /nfs/dbraw/zinc/05/09/82/850050982.db2.gz KVYKXCQAQOMRNE-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM C=CCOc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)c1 ZINC000055724091 850124312 /nfs/dbraw/zinc/12/43/12/850124312.db2.gz DFECVNOZMVTHHN-UHFFFAOYSA-N -1 0 414.508 4.366 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000057123584 850553930 /nfs/dbraw/zinc/55/39/30/850553930.db2.gz JQINJIUJVOEEQN-UHFFFAOYSA-N -1 0 404.919 4.263 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1c[nH]c2ncccc21 ZINC000057125565 850555723 /nfs/dbraw/zinc/55/57/23/850555723.db2.gz GFRVFFOOIXVZSJ-UHFFFAOYSA-N -1 0 404.451 4.336 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060442941 851101451 /nfs/dbraw/zinc/10/14/51/851101451.db2.gz YKNKPGPCYMUZQY-UHFFFAOYSA-N -1 0 419.384 4.272 20 30 HIEDRM O=S(=O)([N-]c1ccc(OC(F)F)cc1OC(F)F)c1c(F)cc(F)cc1F ZINC000060443120 851101837 /nfs/dbraw/zinc/10/18/37/851101837.db2.gz GSDGLXTYZQIXMP-UHFFFAOYSA-N -1 0 419.274 4.108 20 30 HIEDRM CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000063180980 851628494 /nfs/dbraw/zinc/62/84/94/851628494.db2.gz YSNWREXCNXRQLI-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)cc1C#N ZINC000064091980 851826784 /nfs/dbraw/zinc/82/67/84/851826784.db2.gz XMZOATOSTIYUTP-UHFFFAOYSA-N -1 0 415.478 4.031 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2nc3ccccc3s2)o1)c1nnc2n1CCCCC2 ZINC000064102034 851828015 /nfs/dbraw/zinc/82/80/15/851828015.db2.gz XQMBJKCHZUILLD-CYBMUJFWSA-N -1 0 403.467 4.364 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1 ZINC000065484325 852154862 /nfs/dbraw/zinc/15/48/62/852154862.db2.gz RLHHRZDZQYMKOU-UHFFFAOYSA-N -1 0 404.488 4.069 20 30 HIEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)C2(c3cccc(C)c3)CC2)cc1OCC ZINC000065764316 852247425 /nfs/dbraw/zinc/24/74/25/852247425.db2.gz AHRVZQYMZYBWMD-UHFFFAOYSA-N -1 0 403.500 4.169 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2sc3ccc(F)cc3c2C)cc1 ZINC000065763120 852247617 /nfs/dbraw/zinc/24/76/17/852247617.db2.gz NAVKUCSEFXMKIR-UHFFFAOYSA-N -1 0 406.460 4.001 20 30 HIEDRM Cc1c2cc(F)ccc2sc1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066003064 852352672 /nfs/dbraw/zinc/35/26/72/852352672.db2.gz UZFXTCMMBNIGOV-UHFFFAOYSA-N -1 0 408.432 4.092 20 30 HIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C2(c3cccc(F)c3)CCOCC2)cc1 ZINC000066003259 852352922 /nfs/dbraw/zinc/35/29/22/852352922.db2.gz KILBAKXXODRYOV-UHFFFAOYSA-N -1 0 405.491 4.172 20 30 HIEDRM COc1ccc2[nH]cc(CC(=O)[N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)c2c1 ZINC000097465440 852614656 /nfs/dbraw/zinc/61/46/56/852614656.db2.gz BYKOSUKAVYRKDZ-UHFFFAOYSA-N -1 0 400.500 4.298 20 30 HIEDRM COc1ccccc1-c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)cs1 ZINC000138693959 853394620 /nfs/dbraw/zinc/39/46/20/853394620.db2.gz OANUZXKQKHDLBZ-ZDUSSCGKSA-N -1 0 411.870 4.433 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)oc2c1c(C)ccc2C ZINC000149438721 853625056 /nfs/dbraw/zinc/62/50/56/853625056.db2.gz RLKCUIXTDNFVII-MRXNPFEDSA-N -1 0 412.453 4.359 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000217199368 853860404 /nfs/dbraw/zinc/86/04/04/853860404.db2.gz FSFYNBSKRPPFIQ-UHFFFAOYSA-N -1 0 415.858 4.166 20 30 HIEDRM C[C@@H](Sc1ccccc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000237370864 854016988 /nfs/dbraw/zinc/01/69/88/854016988.db2.gz ULVNYVVGURASKQ-CYBMUJFWSA-N -1 0 407.413 4.052 20 30 HIEDRM C=CCn1c(SCC(=O)[N-]OCc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000247964271 854169513 /nfs/dbraw/zinc/16/95/13/854169513.db2.gz AUTDPCIGPTUVKJ-UHFFFAOYSA-N -1 0 414.918 4.125 20 30 HIEDRM COc1cccc(-n2c([N-]S(=O)(=O)c3cc(C#N)ccc3C)nc3ccccc32)c1 ZINC000437346890 862624465 /nfs/dbraw/zinc/62/44/65/862624465.db2.gz YXLYMMRZZBSNGL-UHFFFAOYSA-N -1 0 418.478 4.015 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)cc1Cl ZINC000326129025 855407544 /nfs/dbraw/zinc/40/75/44/855407544.db2.gz BTJGAHRFRNWICH-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc(C3CC3)c(Cc3ccccc3F)s2)c1 ZINC000409671776 855594935 /nfs/dbraw/zinc/59/49/35/855594935.db2.gz MSKHRIVTGVMCBE-UHFFFAOYSA-N -1 0 413.499 4.423 20 30 HIEDRM Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410335085 855935049 /nfs/dbraw/zinc/93/50/49/855935049.db2.gz KMDGMIXQGDRLRM-UHFFFAOYSA-N -1 0 412.437 4.159 20 30 HIEDRM CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410341171 855938297 /nfs/dbraw/zinc/93/82/97/855938297.db2.gz ULBKYZZWKBWZJG-UHFFFAOYSA-N -1 0 400.426 4.073 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)ccc1F ZINC000410373769 855958735 /nfs/dbraw/zinc/95/87/35/855958735.db2.gz RJSFXLLHZRBCLP-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000410412877 855982493 /nfs/dbraw/zinc/98/24/93/855982493.db2.gz GORPXNGASPDVAA-UHFFFAOYSA-N -1 0 420.416 4.087 20 30 HIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000410417760 855986784 /nfs/dbraw/zinc/98/67/84/855986784.db2.gz AIXQBMSVCUONTF-UHFFFAOYSA-N -1 0 407.423 4.084 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)cc(C)c1F ZINC000437407935 862767945 /nfs/dbraw/zinc/76/79/45/862767945.db2.gz GLVDELPZLBONNZ-UHFFFAOYSA-N -1 0 401.488 4.162 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Oc2cccnc2)cc1F ZINC000427115697 856647676 /nfs/dbraw/zinc/64/76/76/856647676.db2.gz CMIKYIWFAWODNH-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cnn1-c1ccccc1Cl ZINC000427332247 856777196 /nfs/dbraw/zinc/77/71/96/856777196.db2.gz TYTRJDHDNMLDSI-UHFFFAOYSA-N -1 0 418.881 4.461 20 30 HIEDRM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)nc2)cc1Cl ZINC000427769773 856947541 /nfs/dbraw/zinc/94/75/41/856947541.db2.gz WWKMGPNUUMCBMD-UHFFFAOYSA-N -1 0 417.849 4.222 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)cc1C#N ZINC000427801986 856961312 /nfs/dbraw/zinc/96/13/12/856961312.db2.gz SZQJJHSAJAFKMM-UHFFFAOYSA-N -1 0 401.451 4.176 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cn(C)c(=O)c4ccccc34)n2)cc1 ZINC000429103947 857511330 /nfs/dbraw/zinc/51/13/30/857511330.db2.gz DLCMQGKJVKMETO-GOSISDBHSA-N -1 0 415.474 4.161 20 30 HIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-c4ccc5c(c4)OCCO5)s3)nc1-2 ZINC000429599107 857780935 /nfs/dbraw/zinc/78/09/35/857780935.db2.gz RKCVMLWLBGYHLB-AWEZNQCLSA-N -1 0 416.462 4.256 20 30 HIEDRM C=CCC(C)(C)C(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000431277449 858543167 /nfs/dbraw/zinc/54/31/67/858543167.db2.gz WBTYKSDCWIMANR-UHFFFAOYSA-N -1 0 406.479 4.176 20 30 HIEDRM CC(C)(c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1)C(F)(F)F ZINC000432050348 858950751 /nfs/dbraw/zinc/95/07/51/858950751.db2.gz ZDNIWVZKGOWJKV-UHFFFAOYSA-N -1 0 413.377 4.107 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cnn1-c1ccccc1C ZINC000432051196 858951988 /nfs/dbraw/zinc/95/19/88/858951988.db2.gz SUNFBWUVLIZUQT-UHFFFAOYSA-N -1 0 416.453 4.084 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000432346162 859112121 /nfs/dbraw/zinc/11/21/21/859112121.db2.gz ISRLBAIUVQPDMB-UHFFFAOYSA-N -1 0 407.904 4.433 20 30 HIEDRM CCCc1c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cnn1-c1ccc(C)cc1 ZINC000432548435 859221180 /nfs/dbraw/zinc/22/11/80/859221180.db2.gz DGWMYDUCFSRWSU-UHFFFAOYSA-N -1 0 407.499 4.080 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1Br ZINC000432774729 859354104 /nfs/dbraw/zinc/35/41/04/859354104.db2.gz QPRFAKZKARELTO-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)cc1Br ZINC000432952430 859445186 /nfs/dbraw/zinc/44/51/86/859445186.db2.gz XHIFTXOPTNLIEN-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM COc1cc(Br)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1Cl ZINC000433506825 859741483 /nfs/dbraw/zinc/74/14/83/859741483.db2.gz PONLVMHEXPDHNL-UHFFFAOYSA-N -1 0 415.696 4.092 20 30 HIEDRM CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)C ZINC000433608430 859807265 /nfs/dbraw/zinc/80/72/65/859807265.db2.gz KKDZELYQVPDGGT-UHFFFAOYSA-N -1 0 419.934 4.273 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(Cl)c1Cl ZINC000435143197 860663508 /nfs/dbraw/zinc/66/35/08/860663508.db2.gz NBMGZALMWCHFEF-UHFFFAOYSA-N -1 0 415.298 4.462 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)cc1C(F)(F)F ZINC000435202643 860694138 /nfs/dbraw/zinc/69/41/38/860694138.db2.gz MRTYHKMSZZVCBH-UHFFFAOYSA-N -1 0 423.441 4.425 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4s3)n[nH]2)cc1OC ZINC000435481369 860814718 /nfs/dbraw/zinc/81/47/18/860814718.db2.gz KQKKVLSLUZVSAM-CYBMUJFWSA-N -1 0 404.451 4.194 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(=O)c2ccco2)ccc1C#N ZINC000435752741 861032098 /nfs/dbraw/zinc/03/20/98/861032098.db2.gz LTMMVFIKMBUOEZ-UHFFFAOYSA-N -1 0 415.858 4.166 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000438764164 864259208 /nfs/dbraw/zinc/25/92/08/864259208.db2.gz NPABYAZPQIGVDQ-UHFFFAOYSA-N -1 0 414.314 4.496 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C)ccc2Cl)cnn1-c1cccc(C#N)c1 ZINC000438842185 864334064 /nfs/dbraw/zinc/33/40/64/864334064.db2.gz OAHIEVUMEPBYNX-UHFFFAOYSA-N -1 0 414.918 4.459 20 30 HIEDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c2)n1 ZINC000467934385 881807358 /nfs/dbraw/zinc/80/73/58/881807358.db2.gz YQVOGRYZXTYJPN-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000439994139 865302990 /nfs/dbraw/zinc/30/29/90/865302990.db2.gz NFHIRYZJUAZFNR-UHFFFAOYSA-N -1 0 404.495 4.105 20 30 HIEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1Cl ZINC000440824757 865940306 /nfs/dbraw/zinc/94/03/06/865940306.db2.gz PQQBXIXVRLEFIW-LBPRGKRZSA-N -1 0 424.931 4.179 20 30 HIEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1Cl ZINC000440830368 865944715 /nfs/dbraw/zinc/94/47/15/865944715.db2.gz XWUUSGNGONIJDD-GFCCVEGCSA-N -1 0 424.931 4.322 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)c1C#N ZINC000441316923 866387024 /nfs/dbraw/zinc/38/70/24/866387024.db2.gz HNZLHHQDHLNGMY-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(=O)c2ccco2)c1C#N ZINC000441325201 866396821 /nfs/dbraw/zinc/39/68/21/866396821.db2.gz BVBHPFLNBLBSHW-UHFFFAOYSA-N -1 0 415.858 4.166 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442816626 867684437 /nfs/dbraw/zinc/68/44/37/867684437.db2.gz LAFULQSLQWENIF-LLVKDONJSA-N -1 0 401.435 4.295 20 30 HIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000443413391 867998436 /nfs/dbraw/zinc/99/84/36/867998436.db2.gz GETSXRONQTZJSQ-UHFFFAOYSA-N -1 0 420.600 4.372 20 30 HIEDRM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000443525854 868083214 /nfs/dbraw/zinc/08/32/14/868083214.db2.gz BGIFPOCBNXVQRZ-OAHLLOKOSA-N -1 0 422.466 4.440 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)c1C#N ZINC000443532217 868090214 /nfs/dbraw/zinc/09/02/14/868090214.db2.gz NDYBEYXJPFSFPI-UHFFFAOYSA-N -1 0 402.369 4.138 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OCCC(F)(F)F ZINC000443533115 868092737 /nfs/dbraw/zinc/09/27/37/868092737.db2.gz ULVNICNKKAWGNH-UHFFFAOYSA-N -1 0 402.369 4.024 20 30 HIEDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000468345149 882280227 /nfs/dbraw/zinc/28/02/27/882280227.db2.gz BDZKWTFYAQDUHG-AWEZNQCLSA-N -1 0 424.519 4.046 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nnc(Cc3cccc4ccccc43)o2)ccc1Cl ZINC000446788531 870708124 /nfs/dbraw/zinc/70/81/24/870708124.db2.gz XSVZFEIMRFKNAC-UHFFFAOYSA-N -1 0 424.869 4.139 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)c1 ZINC000447267584 871151870 /nfs/dbraw/zinc/15/18/70/871151870.db2.gz QAGUBIFZQKNSOV-UHFFFAOYSA-N -1 0 421.812 4.478 20 30 HIEDRM CC[C@H](c1nnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1)c1ccccc1 ZINC000447456096 871347096 /nfs/dbraw/zinc/34/70/96/871347096.db2.gz APVPEMXQECDGBM-KRWDZBQOSA-N -1 0 415.478 4.859 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447776070 871704934 /nfs/dbraw/zinc/70/49/34/871704934.db2.gz ACXWOXPYHHQREE-NSHDSACASA-N -1 0 416.446 4.480 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1noc(-c2ccccc2)c1Br ZINC000448540248 872543461 /nfs/dbraw/zinc/54/34/61/872543461.db2.gz YIKOJMNGRMPULI-UHFFFAOYSA-N -1 0 418.272 4.085 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000462102069 875209708 /nfs/dbraw/zinc/20/97/08/875209708.db2.gz NSERTXYNCFECAD-UHFFFAOYSA-N -1 0 400.323 4.005 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1c(F)cccc1F ZINC000468960381 883027122 /nfs/dbraw/zinc/02/71/22/883027122.db2.gz MEBACESLOBXMFF-AWEZNQCLSA-N -1 0 421.432 4.468 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1Oc1cccnc1 ZINC000463524669 876593929 /nfs/dbraw/zinc/59/39/29/876593929.db2.gz FKZACXAGDBHBLR-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM CCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464468838 877690624 /nfs/dbraw/zinc/69/06/24/877690624.db2.gz QVFUYAIUUGDSHE-HNNXBMFYSA-N -1 0 400.360 4.175 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc(F)cc2F)n1)c1nc(-c2ccncc2)cs1 ZINC000464506550 877730518 /nfs/dbraw/zinc/73/05/18/877730518.db2.gz KNJIKMRSIJARIQ-AWEZNQCLSA-N -1 0 407.405 4.159 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](COc2c(C)cccc2C)C(C)(C)C)cc1C#N ZINC000465458852 878889425 /nfs/dbraw/zinc/88/94/25/878889425.db2.gz JWTNCRKYFWEODV-KRWDZBQOSA-N -1 0 413.543 4.221 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1ccccc1 ZINC000466476689 880257924 /nfs/dbraw/zinc/25/79/24/880257924.db2.gz YNXWNEJSFCBTOQ-UHFFFAOYSA-N -1 0 420.416 4.126 20 30 HIEDRM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000469135454 883231176 /nfs/dbraw/zinc/23/11/76/883231176.db2.gz ZWSLGTKTFNQGHE-NSHDSACASA-N -1 0 415.298 4.080 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cn(Cc4cccc(F)c4)nn3)n2)cc1 ZINC000469549691 883810665 /nfs/dbraw/zinc/81/06/65/883810665.db2.gz NPJWFMFXHGAITA-GOSISDBHSA-N -1 0 417.469 4.388 20 30 HIEDRM C=CCCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000469889435 884081458 /nfs/dbraw/zinc/08/14/58/884081458.db2.gz SHFFAEYSTBIOLS-UHFFFAOYSA-N -1 0 400.544 4.369 20 30 HIEDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000471108668 885642999 /nfs/dbraw/zinc/64/29/99/885642999.db2.gz QICPUJVWCNNCNK-UHFFFAOYSA-N -1 0 416.480 4.230 20 30 HIEDRM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000471112798 885648547 /nfs/dbraw/zinc/64/85/47/885648547.db2.gz OCXFBWXDMHIEQE-UHFFFAOYSA-N -1 0 408.439 4.319 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1 ZINC000471114308 885650729 /nfs/dbraw/zinc/65/07/29/885650729.db2.gz DUWXYDOOKUVVPK-UHFFFAOYSA-N -1 0 422.909 4.403 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471902110 886684427 /nfs/dbraw/zinc/68/44/27/886684427.db2.gz LMOJEJINBMYYBF-UHFFFAOYSA-N -1 0 408.414 4.167 20 30 HIEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)c1 ZINC000471941383 886741088 /nfs/dbraw/zinc/74/10/88/886741088.db2.gz QJNPAUUIFNGUIT-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)s[n-]1 ZINC000472270421 887087037 /nfs/dbraw/zinc/08/70/37/887087037.db2.gz YKXUPLNBUGDYKC-UHFFFAOYSA-N -1 0 419.491 4.308 20 30 HIEDRM O=C(CCOCC(F)(F)C(F)(F)F)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000504299973 913150869 /nfs/dbraw/zinc/15/08/69/913150869.db2.gz VXBOZQOIVOBFPZ-NSHDSACASA-N -1 0 415.227 4.289 20 30 HIEDRM C=CCCCCNC(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000474099680 888922651 /nfs/dbraw/zinc/92/26/51/888922651.db2.gz VKZGXMFEGMQUGA-HNNXBMFYSA-N -1 0 407.561 4.265 20 30 HIEDRM CCN(CC)S(=O)(=O)c1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1C ZINC000474423242 889286625 /nfs/dbraw/zinc/28/66/25/889286625.db2.gz XTUNYHZOUYRZFF-MRXNPFEDSA-N -1 0 419.572 4.096 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2occc2CN2C(=O)Cc3ccccc32)n1 ZINC000474443456 889308678 /nfs/dbraw/zinc/30/86/78/889308678.db2.gz DLYFDPIOCOXNFT-INIZCTEOSA-N -1 0 405.479 4.439 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1cccc2ncccc21 ZINC000474443039 889308896 /nfs/dbraw/zinc/30/88/96/889308896.db2.gz BKVVWKWSDFCFAA-HNNXBMFYSA-N -1 0 402.483 4.194 20 30 HIEDRM CC[C@](C)(C#N)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000504634108 913384002 /nfs/dbraw/zinc/38/40/02/913384002.db2.gz JSGJAWBRDICVQI-LJQANCHMSA-N -1 0 421.906 4.028 20 30 HIEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)c1ccc(OC(F)(F)F)cc1 ZINC000475782412 890723713 /nfs/dbraw/zinc/72/37/13/890723713.db2.gz QHQZPJHICNBMKL-UHFFFAOYSA-N -1 0 421.419 4.158 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccc1 ZINC000475786064 890726573 /nfs/dbraw/zinc/72/65/73/890726573.db2.gz GRKBNFYSZUITQV-UHFFFAOYSA-N -1 0 405.401 4.363 20 30 HIEDRM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000476281538 891199919 /nfs/dbraw/zinc/19/99/19/891199919.db2.gz YHZQXXLYGLXNGG-UHFFFAOYSA-N -1 0 409.305 4.060 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)cc1 ZINC000476605694 891538415 /nfs/dbraw/zinc/53/84/15/891538415.db2.gz ZFULOVQPTJORLV-UHFFFAOYSA-N -1 0 421.522 4.158 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)nn1C ZINC000478098885 893265210 /nfs/dbraw/zinc/26/52/10/893265210.db2.gz YBBFBBGYORZRNW-NSHDSACASA-N -1 0 407.282 4.349 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(F)c1 ZINC000478537857 893838337 /nfs/dbraw/zinc/83/83/37/893838337.db2.gz LOYQKIXYOJQFPK-MRXNPFEDSA-N -1 0 405.410 4.098 20 30 HIEDRM CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000479527918 894836044 /nfs/dbraw/zinc/83/60/44/894836044.db2.gz OASGQQWYZJPDBZ-UHFFFAOYSA-N -1 0 419.934 4.273 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000480131927 895508326 /nfs/dbraw/zinc/50/83/26/895508326.db2.gz MAFYXGKPRBBPPK-UHFFFAOYSA-N -1 0 419.306 4.268 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ncccc4c3)on2)cc1Cl ZINC000481851636 897217830 /nfs/dbraw/zinc/21/78/30/897217830.db2.gz ALQQQSZBTLQJIW-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCCCC#N)c1C ZINC000505507798 914197469 /nfs/dbraw/zinc/19/74/69/914197469.db2.gz SYKJHGLBCAHQIV-UHFFFAOYSA-N -1 0 413.543 4.145 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2)c1C(F)(F)F)c1cnc2ccccc2n1 ZINC000483189138 898847954 /nfs/dbraw/zinc/84/79/54/898847954.db2.gz BLWKHJISJVTHBD-AWEZNQCLSA-N -1 0 407.355 4.324 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1cccc2ncccc21 ZINC000483195546 898852036 /nfs/dbraw/zinc/85/20/36/898852036.db2.gz BKSQMIBCUHWJNP-IBGZPJMESA-N -1 0 404.433 4.162 20 30 HIEDRM Cc1ccc(I)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483199369 898854406 /nfs/dbraw/zinc/85/44/06/898854406.db2.gz MKBAZIRTBBEFIK-AWEZNQCLSA-N -1 0 413.218 4.033 20 30 HIEDRM N#CC(=C([O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1cnc2ccccc2n1 ZINC000483204811 898858614 /nfs/dbraw/zinc/85/86/14/898858614.db2.gz UNGIVOWGIHQNHE-IBGZPJMESA-N -1 0 416.444 4.368 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ccc3c(c2)OCCO3)n1)c1cnc2ccccc2n1 ZINC000483230204 898873190 /nfs/dbraw/zinc/87/31/90/898873190.db2.gz CAGFOVMHQIOJEC-AWEZNQCLSA-N -1 0 414.446 4.015 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(-c4cnn(C)c4)s3)n2)cc1 ZINC000483287074 898923762 /nfs/dbraw/zinc/92/37/62/898923762.db2.gz YVWPQUIKAQATMP-OAHLLOKOSA-N -1 0 405.508 4.466 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(-c4cnn(C)c4)s3)n2)cc1 ZINC000483287073 898923805 /nfs/dbraw/zinc/92/38/05/898923805.db2.gz YVWPQUIKAQATMP-HNNXBMFYSA-N -1 0 405.508 4.466 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2-c2nc(C(C)(C)C)no2)n1 ZINC000505722451 914404032 /nfs/dbraw/zinc/40/40/32/914404032.db2.gz FSOGHQFKAAZQRL-CQSZACIVSA-N -1 0 424.482 4.157 20 30 HIEDRM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1COc1ccc(CC#N)cc1 ZINC000484691442 900127542 /nfs/dbraw/zinc/12/75/42/900127542.db2.gz SLVDAWLHBVFJPK-UHFFFAOYSA-N -1 0 422.506 4.279 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000485124025 900428779 /nfs/dbraw/zinc/42/87/79/900428779.db2.gz LQKHCDPSWXEQBH-UHFFFAOYSA-N -1 0 408.882 4.094 20 30 HIEDRM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000487017047 902016833 /nfs/dbraw/zinc/01/68/33/902016833.db2.gz UJAZOCDUQBDQLK-NSHDSACASA-N -1 0 414.181 4.065 20 30 HIEDRM Cc1ccc(Cl)cc1NC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000487493815 902224342 /nfs/dbraw/zinc/22/43/42/902224342.db2.gz BSYCZHFAWLFJKT-ZDUSSCGKSA-N -1 0 412.902 4.483 20 30 HIEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488429506 902823644 /nfs/dbraw/zinc/82/36/44/902823644.db2.gz CPAIHVKKQPTCKL-MRXNPFEDSA-N -1 0 424.881 4.099 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cnn1CCC(C)C ZINC000491592534 904666150 /nfs/dbraw/zinc/66/61/50/904666150.db2.gz WMLLRLNCHXAVHM-UHFFFAOYSA-N -1 0 414.453 4.183 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000512808765 921315703 /nfs/dbraw/zinc/31/57/03/921315703.db2.gz RBYOXSRHCMHTJQ-UHFFFAOYSA-N -1 0 408.435 4.158 20 30 HIEDRM CC(C)Nc1cccc(F)c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000498014745 907507925 /nfs/dbraw/zinc/50/79/25/907507925.db2.gz FSXGOKIVELBNSD-UHFFFAOYSA-N -1 0 401.385 4.337 20 30 HIEDRM C=CCN(CCc1ccco1)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000498441360 907907071 /nfs/dbraw/zinc/90/70/71/907907071.db2.gz LTBYBDJJQCSFCP-UHFFFAOYSA-N -1 0 405.376 4.061 20 30 HIEDRM N#Cc1cccc([N-]S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)c1 ZINC000502934769 911920869 /nfs/dbraw/zinc/92/08/69/911920869.db2.gz IOHFMZPDWUZRDB-UHFFFAOYSA-N -1 0 420.313 4.245 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)cn1 ZINC000507271697 916035032 /nfs/dbraw/zinc/03/50/32/916035032.db2.gz WYUNWMSYUOYGRT-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(F)c(F)c1F ZINC000507885358 916730163 /nfs/dbraw/zinc/73/01/63/916730163.db2.gz DIBDVLUAXYVJAI-LLVKDONJSA-N -1 0 401.303 4.215 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)c1 ZINC000508114272 916931377 /nfs/dbraw/zinc/93/13/77/916931377.db2.gz CJYHFXHVBAIPDK-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c(Cl)c1Cl ZINC000508113655 916931518 /nfs/dbraw/zinc/93/15/18/916931518.db2.gz VPUDCEHSVWAZKW-UHFFFAOYSA-N -1 0 408.266 4.223 20 30 HIEDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)s1 ZINC000508129612 916948263 /nfs/dbraw/zinc/94/82/63/916948263.db2.gz VSTZWXWSQGWQPD-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)c(Cl)c1 ZINC000509373711 918039293 /nfs/dbraw/zinc/03/92/93/918039293.db2.gz FHRQVURZNUMCAH-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000509378791 918044157 /nfs/dbraw/zinc/04/41/57/918044157.db2.gz MVXRHMMPVGJIEO-UHFFFAOYSA-N -1 0 403.660 4.108 20 30 HIEDRM Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000509538542 918187020 /nfs/dbraw/zinc/18/70/20/918187020.db2.gz GOUWAKJTNCTYLV-UHFFFAOYSA-N -1 0 416.915 4.262 20 30 HIEDRM CC[C@@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)c1nc(C(F)(F)F)cs1 ZINC000510309953 918822254 /nfs/dbraw/zinc/82/22/54/918822254.db2.gz WYRLIPBPNHTPOI-SSDOTTSWSA-N -1 0 422.347 4.148 20 30 HIEDRM CO[C@@H](C)c1nc(=NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s[n-]1 ZINC000511143689 919763418 /nfs/dbraw/zinc/76/34/18/919763418.db2.gz ZUDDODKTZMCZSL-NSHDSACASA-N -1 0 414.874 4.237 20 30 HIEDRM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000511757525 920438696 /nfs/dbraw/zinc/43/86/96/920438696.db2.gz PGEHODPRLBOFCE-AWEZNQCLSA-N -1 0 409.854 4.284 20 30 HIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)n[nH]1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000513681915 922003420 /nfs/dbraw/zinc/00/34/20/922003420.db2.gz LRKXOLDUPJIKQJ-AWEZNQCLSA-N -1 0 415.478 4.156 20 30 HIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4sc5c(c4c(=O)[nH]3)CCCC5)n[nH]2)o1 ZINC000513696144 922017688 /nfs/dbraw/zinc/01/76/88/922017688.db2.gz SVYMUOTXRLWAMB-GFCCVEGCSA-N -1 0 419.466 4.057 20 30 HIEDRM COc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1Cc1ccccc1 ZINC000514494688 922647106 /nfs/dbraw/zinc/64/71/06/922647106.db2.gz YCYHDEDAGPOQKV-UHFFFAOYSA-N -1 0 405.479 4.232 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000515695386 923278294 /nfs/dbraw/zinc/27/82/94/923278294.db2.gz JDYGUAVYOVOHTA-UHFFFAOYSA-N -1 0 424.322 4.319 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn(CCCC#N)c3ccccc23)n1 ZINC000518475168 927297111 /nfs/dbraw/zinc/29/71/11/927297111.db2.gz JYRKRWVHKMGJOJ-OAHLLOKOSA-N -1 0 406.467 4.068 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(O[C@@H](C)c3ccccc3)nc2)n1 ZINC000518662644 927414230 /nfs/dbraw/zinc/41/42/30/927414230.db2.gz MPIJBVOFKJGIJJ-YOEHRIQHSA-N -1 0 421.478 4.345 20 30 HIEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)s1 ZINC000519350066 927893452 /nfs/dbraw/zinc/89/34/52/927893452.db2.gz WHQYKDLKEUJIJB-LBPRGKRZSA-N -1 0 417.462 4.276 20 30 HIEDRM Cc1ccc(OCc2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)o2)c(C)c1 ZINC000520164822 928357552 /nfs/dbraw/zinc/35/75/52/928357552.db2.gz SBIBVJLLIHOZQU-GOSISDBHSA-N -1 0 404.470 4.283 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000520186670 928375602 /nfs/dbraw/zinc/37/56/02/928375602.db2.gz QUZOHSOPEAMTKO-GFCCVEGCSA-N -1 0 424.931 4.306 20 30 HIEDRM N#Cc1ccccc1COc1cccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000521331450 929147888 /nfs/dbraw/zinc/14/78/88/929147888.db2.gz FCLCYPMHLAZKJD-HJWRWDBZSA-N -1 0 401.378 4.309 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000525327311 930164760 /nfs/dbraw/zinc/16/47/60/930164760.db2.gz HPVDFCSPMBAXIU-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 ZINC000525483138 930271666 /nfs/dbraw/zinc/27/16/66/930271666.db2.gz BRFJYBKKOYHVQF-CYBMUJFWSA-N -1 0 405.501 4.466 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCCc3ccccc32)cc1Cl ZINC000527503865 930670762 /nfs/dbraw/zinc/67/07/62/930670762.db2.gz BPVNFJLVKPJTEN-IBGZPJMESA-N -1 0 412.902 4.135 20 30 HIEDRM CCOc1ccccc1[C@@H](CC)NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000533911608 932095238 /nfs/dbraw/zinc/09/52/38/932095238.db2.gz DEJODNDNNMJXJD-GOSISDBHSA-N -1 0 412.534 4.009 20 30 HIEDRM CC(C)(C)c1[n-]n(CC(=O)N[C@H](c2cccs2)C(C)(C)C)c(=O)c1CCC#N ZINC000533911707 932095728 /nfs/dbraw/zinc/09/57/28/932095728.db2.gz FGAWJOFDTDQPTB-GOSISDBHSA-N -1 0 402.564 4.307 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccn3)c2C(F)(F)F)n1 ZINC000533981032 932157387 /nfs/dbraw/zinc/15/73/87/932157387.db2.gz GGGKDCZKKKBCDZ-LLVKDONJSA-N -1 0 405.405 4.356 20 30 HIEDRM N#CC(=C([O-])c1csc([C@H]2CCCO2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000535206755 933014558 /nfs/dbraw/zinc/01/45/58/933014558.db2.gz SHEBUGMAQGUBBI-WMLDXEAASA-N -1 0 406.492 4.480 20 30 HIEDRM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000535405144 933119371 /nfs/dbraw/zinc/11/93/71/933119371.db2.gz BKHMCFQJAIKFMI-HNNXBMFYSA-N -1 0 418.927 4.406 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)sc1SCC#N ZINC000562578780 945102917 /nfs/dbraw/zinc/10/29/17/945102917.db2.gz XOXJWHVXSOWLIF-UHFFFAOYSA-N -1 0 408.357 4.316 20 30 HIEDRM N#Cc1ccccc1-c1ccc(CNC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1 ZINC000537949447 938429434 /nfs/dbraw/zinc/42/94/34/938429434.db2.gz GBDWKZAYKVOSPY-UHFFFAOYSA-N -1 0 410.473 4.101 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000538623039 938664475 /nfs/dbraw/zinc/66/44/75/938664475.db2.gz DUSFMWMOFIJYKD-GOEBONIOSA-N -1 0 421.444 4.466 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cc4c(s3)CCOC4)c2)c1 ZINC000539570947 938881536 /nfs/dbraw/zinc/88/15/36/938881536.db2.gz ZROFEETUTRLCNZ-UHFFFAOYSA-N -1 0 403.459 4.171 20 30 HIEDRM C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000563564108 945216478 /nfs/dbraw/zinc/21/64/78/945216478.db2.gz JEEABXNCNBCKEY-UHFFFAOYSA-N -1 0 400.544 4.431 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000540696339 939342278 /nfs/dbraw/zinc/34/22/78/939342278.db2.gz KMLHLBHWGNOSRX-UHFFFAOYSA-N -1 0 412.402 4.150 20 30 HIEDRM N#CCC1CCN(C(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])CC1 ZINC000541048131 939441159 /nfs/dbraw/zinc/44/11/59/939441159.db2.gz VFWMIKLTCJQMJJ-UHFFFAOYSA-N -1 0 413.692 4.304 20 30 HIEDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c1 ZINC000541801739 939636365 /nfs/dbraw/zinc/63/63/65/939636365.db2.gz HVZRJFFZPOSDHL-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccc(C)cc2)n1 ZINC000543059203 939914522 /nfs/dbraw/zinc/91/45/22/939914522.db2.gz WZBAWFSXSGGNJP-GOSISDBHSA-N -1 0 418.474 4.349 20 30 HIEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000544096875 940325207 /nfs/dbraw/zinc/32/52/07/940325207.db2.gz PGDDNJSMVUMMJO-AWEZNQCLSA-N -1 0 406.577 4.209 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cnn1C1CCCC1 ZINC000544150793 940338210 /nfs/dbraw/zinc/33/82/10/940338210.db2.gz YUDDWNLAHHTNGR-CQSZACIVSA-N -1 0 400.504 4.074 20 30 HIEDRM CC1CCN(c2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cn2)CC1 ZINC000544816884 940517076 /nfs/dbraw/zinc/51/70/76/940517076.db2.gz AZJZORXEAHFKMX-GOSISDBHSA-N -1 0 403.511 4.326 20 30 HIEDRM Cc1cc(-c2cc(C([O-])=C(C#N)c3ccncn3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000546858877 940896759 /nfs/dbraw/zinc/89/67/59/940896759.db2.gz PBNXSPJQVLXXSW-QGZVFWFLSA-N -1 0 400.442 4.169 20 30 HIEDRM C=CCC(C)(C)c1noc(-c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)n1 ZINC000551496585 941490080 /nfs/dbraw/zinc/49/00/80/941490080.db2.gz MESLJRWWJBGNJT-UHFFFAOYSA-N -1 0 413.499 4.400 20 30 HIEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000553077409 941829274 /nfs/dbraw/zinc/82/92/74/941829274.db2.gz JKGZMXJSYYEFSY-UHFFFAOYSA-N -1 0 409.486 4.005 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000553205119 941848657 /nfs/dbraw/zinc/84/86/57/941848657.db2.gz VQOQEMMKBISQRY-GOEBONIOSA-N -1 0 421.444 4.466 20 30 HIEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(Oc3ncc(Cl)cc3Cl)cc2)c1 ZINC000555120370 942390677 /nfs/dbraw/zinc/39/06/77/942390677.db2.gz UIDUFKPETUJVDN-UHFFFAOYSA-N -1 0 421.265 4.248 20 30 HIEDRM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3c(F)cccc3Cl)cc2)ccn1 ZINC000558592093 943612127 /nfs/dbraw/zinc/61/21/27/943612127.db2.gz BKJDHDNMDKHYRI-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000561434539 944595353 /nfs/dbraw/zinc/59/53/53/944595353.db2.gz POWSNJZBCJNKCV-UHFFFAOYSA-N -1 0 421.194 4.020 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000572212570 947865960 /nfs/dbraw/zinc/86/59/60/947865960.db2.gz MSVWLCZNLBLKEI-UHFFFAOYSA-N -1 0 408.323 4.483 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Sc2cccs2)o1 ZINC000572516825 947922585 /nfs/dbraw/zinc/92/25/85/947922585.db2.gz NQMYKSNRLWDLRU-UHFFFAOYSA-N -1 0 407.454 4.073 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436013442 861304441 /nfs/dbraw/zinc/30/44/41/861304441.db2.gz BZRBAIWUICZHTB-HNNXBMFYSA-N -1 0 410.524 4.339 20 30 HIEDRM CCN(CC)c1ccc2cc(C(=O)/C=C/c3ccc([O-])c([N+](=O)[O-])c3)c(=O)oc2c1 ZINC000007039579 845240689 /nfs/dbraw/zinc/24/06/89/845240689.db2.gz ZOYLGHDRSLIKJG-WEVVVXLNSA-N -1 0 408.410 4.149 20 30 HIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)cc2)o1 ZINC000007367388 845317011 /nfs/dbraw/zinc/31/70/11/845317011.db2.gz ANKBWLKFTBYMAS-XCVCLJGOSA-N -1 0 403.434 4.378 20 30 HIEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000007708990 845393634 /nfs/dbraw/zinc/39/36/34/845393634.db2.gz FQGNNTXLGXZGJM-SFHVURJKSA-N -1 0 414.918 4.147 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC=C(c4ccc(C)cc4)CC3)cc2[n-]c1=S ZINC000012395896 845869123 /nfs/dbraw/zinc/86/91/23/845869123.db2.gz NJVIJAPYWGCDLH-UHFFFAOYSA-N -1 0 417.534 4.109 20 30 HIEDRM [O-]c1c(Br)cc(Br)cc1/C=N/CCc1nc2ccccc2[nH]1 ZINC000017309336 846242943 /nfs/dbraw/zinc/24/29/43/846242943.db2.gz JUHTWBRGUGQRTE-DJKKODMXSA-N -1 0 423.108 4.455 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000018017653 846284283 /nfs/dbraw/zinc/28/42/83/846284283.db2.gz BVHOOGBHCJRAGG-CQSZACIVSA-N -1 0 415.471 4.056 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCSc4ccccc43)cc2[n-]c1=S ZINC000018134167 846301199 /nfs/dbraw/zinc/30/11/99/846301199.db2.gz SXSWKNSUYIKKRO-MRXNPFEDSA-N -1 0 409.536 4.212 20 30 HIEDRM C=CCOc1c(Br)cc(CNc2cc(C(=O)[O-])ccc2OC)cc1OC ZINC000020879559 846392325 /nfs/dbraw/zinc/39/23/25/846392325.db2.gz KQEVDMZBGRTOJJ-UHFFFAOYSA-N -1 0 422.275 4.341 20 30 HIEDRM COc1cc(/C=C2\CCOc3ccc(Br)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000023702298 846742312 /nfs/dbraw/zinc/74/23/12/846742312.db2.gz UGRUHHYGVZVRHR-IZZDOVSWSA-N -1 0 420.215 4.120 20 30 HIEDRM COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)ccc1OCC#N ZINC000026763087 847194444 /nfs/dbraw/zinc/19/44/44/847194444.db2.gz PJTUFFBGPAVNNM-KRXBUXKQSA-N -1 0 403.390 4.452 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)n1 ZINC000041516845 848225570 /nfs/dbraw/zinc/22/55/70/848225570.db2.gz WOTPKNWQQDWEAC-AWEZNQCLSA-N -1 0 409.471 4.390 20 30 HIEDRM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000436663018 861886732 /nfs/dbraw/zinc/88/67/32/861886732.db2.gz KBZASYWVYMUYHG-RFAUZJTJSA-N -1 0 416.113 4.119 20 30 HIEDRM COc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)cc1Br ZINC000046849736 848948441 /nfs/dbraw/zinc/94/84/41/848948441.db2.gz VHIJURONSZRRIJ-XBXARRHUSA-N -1 0 405.244 4.207 20 30 HIEDRM CC(C)c1nnc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)s1 ZINC000051119714 849433157 /nfs/dbraw/zinc/43/31/57/849433157.db2.gz UNYOMOASERMUNS-UHFFFAOYSA-N -1 0 408.530 4.160 20 30 HIEDRM COc1ccccc1S(=O)(=O)[N-]c1ccccc1COc1ccc(CC#N)cc1 ZINC000055664267 850103293 /nfs/dbraw/zinc/10/32/93/850103293.db2.gz SRXSJVHNVAVIOD-UHFFFAOYSA-N -1 0 408.479 4.141 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000055664258 850103325 /nfs/dbraw/zinc/10/33/25/850103325.db2.gz GATROSTYBRSLHO-UHFFFAOYSA-N -1 0 414.433 4.411 20 30 HIEDRM C=C(C)CN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC)cc2)c1 ZINC000057158152 850563677 /nfs/dbraw/zinc/56/36/77/850563677.db2.gz MXEXYBVSTWKVKX-UHFFFAOYSA-N -1 0 416.543 4.097 20 30 HIEDRM CC(=O)Nc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(C)(C)C)ccc2C)ccc1F ZINC000060043164 851034641 /nfs/dbraw/zinc/03/46/41/851034641.db2.gz SHTHYLLPJBVKOB-UHFFFAOYSA-N -1 0 406.479 4.084 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ccc(Cl)s2)n1)c1nnc2n1CCCCC2 ZINC000064102241 851828172 /nfs/dbraw/zinc/82/81/72/851828172.db2.gz JMPHMADWQAMLNN-JTQLQIEISA-N -1 0 403.920 4.333 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(COC(C)C)c3)cc2[n-]c1=S ZINC000109126260 852924828 /nfs/dbraw/zinc/92/48/28/852924828.db2.gz FTMBMKIVVGCWIL-UHFFFAOYSA-N -1 0 409.511 4.422 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000208035590 853805447 /nfs/dbraw/zinc/80/54/47/853805447.db2.gz AXUXAGFZJAJQME-UUASQNMZSA-N -1 0 421.474 4.390 20 30 HIEDRM COc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)cc1Br ZINC000221812137 853876187 /nfs/dbraw/zinc/87/61/87/853876187.db2.gz VHIJURONSZRRIJ-YWEYNIOJSA-N -1 0 405.244 4.207 20 30 HIEDRM N#CCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000301155641 854314736 /nfs/dbraw/zinc/31/47/36/854314736.db2.gz ACKLXSQRYOAUEE-UHFFFAOYSA-N -1 0 415.906 4.190 20 30 HIEDRM COc1ccccc1-n1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)nc2ccccc21 ZINC000437306313 862565150 /nfs/dbraw/zinc/56/51/50/862565150.db2.gz OXPUFFOWSZPETF-UHFFFAOYSA-N -1 0 418.478 4.015 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000437305881 862566009 /nfs/dbraw/zinc/56/60/09/862566009.db2.gz NBAYTCUSLBAVED-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM COc1ccccc1-n1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)nc2ccccc21 ZINC000437310357 862573232 /nfs/dbraw/zinc/57/32/32/862573232.db2.gz ZAEOTFPVVPPPTG-UHFFFAOYSA-N -1 0 418.478 4.015 20 30 HIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000302848139 854655721 /nfs/dbraw/zinc/65/57/21/854655721.db2.gz CXXCWBPQNKDSEE-UHFFFAOYSA-N -1 0 419.959 4.248 20 30 HIEDRM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1cc(C(F)(F)F)ccc1F ZINC000303184218 854806067 /nfs/dbraw/zinc/80/60/67/854806067.db2.gz KVRQFCWYBQRAIW-UHFFFAOYSA-N -1 0 403.275 4.386 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1C(F)(F)F ZINC000327110503 855415393 /nfs/dbraw/zinc/41/53/93/855415393.db2.gz NPDJVCJCPJEKPB-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc(C3CC3)c(Cc3ccc(F)cc3)s2)c1 ZINC000409672047 855595525 /nfs/dbraw/zinc/59/55/25/855595525.db2.gz OLEOOEWDRFPTLV-UHFFFAOYSA-N -1 0 413.499 4.423 20 30 HIEDRM O=C(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000428020586 857044402 /nfs/dbraw/zinc/04/44/02/857044402.db2.gz FNVOBZWFEVUNFX-UHFFFAOYSA-N -1 0 419.256 4.405 20 30 HIEDRM N#CC(=C([O-])c1cnc(OCc2ccccc2)cn1)c1nc(-c2ccncc2)cs1 ZINC000429104935 857510982 /nfs/dbraw/zinc/51/09/82/857510982.db2.gz HJCUWHLEPHRZFN-QGZVFWFLSA-N -1 0 413.462 4.064 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ncc3n2CCCC3)c(Cl)c1 ZINC000430368805 858136697 /nfs/dbraw/zinc/13/66/97/858136697.db2.gz HLFRUMWAZSOVDC-UHFFFAOYSA-N -1 0 412.902 4.212 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ncc3n2CCCC3)cc1Cl ZINC000430368892 858136829 /nfs/dbraw/zinc/13/68/29/858136829.db2.gz ZMELMYFLYRKEOG-UHFFFAOYSA-N -1 0 412.902 4.212 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1Cc1ccc(F)cc1F ZINC000430603672 858233819 /nfs/dbraw/zinc/23/38/19/858233819.db2.gz ZJGRSSBMXWXOBV-CQSZACIVSA-N -1 0 415.469 4.157 20 30 HIEDRM C=C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000431436279 858612932 /nfs/dbraw/zinc/61/29/32/858612932.db2.gz UGWFPTCODBYKMM-KBXCAEBGSA-N -1 0 402.288 4.441 20 30 HIEDRM C=C[C@@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)c1ccccc1 ZINC000431509947 858649580 /nfs/dbraw/zinc/64/95/80/858649580.db2.gz QSMBBCBQRJYXAL-LAUBAEHRSA-N -1 0 406.482 4.064 20 30 HIEDRM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)nn2)c1 ZINC000434620058 860434321 /nfs/dbraw/zinc/43/43/21/860434321.db2.gz HWFHTGMCAHEPLG-QGZVFWFLSA-N -1 0 403.442 4.328 20 30 HIEDRM CC(=Cc1cnc(-c2ccc(Br)cc2)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337684 860747420 /nfs/dbraw/zinc/74/74/20/860747420.db2.gz XWZBGSZBIWZAPO-YFHOEESVSA-N -1 0 413.300 4.397 20 30 HIEDRM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1F ZINC000435485315 860815801 /nfs/dbraw/zinc/81/58/01/860815801.db2.gz VJEQGQWJMDQFKY-UHFFFAOYSA-N -1 0 404.444 4.361 20 30 HIEDRM Cc1nnc(Sc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)c(C)c2)s1 ZINC000435489504 860818732 /nfs/dbraw/zinc/81/87/32/860818732.db2.gz KPCALSABUUZUPB-UHFFFAOYSA-N -1 0 408.555 4.040 20 30 HIEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000438233782 863677502 /nfs/dbraw/zinc/67/75/02/863677502.db2.gz IZRNBVABEVIQNZ-UHFFFAOYSA-N -1 0 402.863 4.021 20 30 HIEDRM C=C[C@@](C)(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000467855490 881704359 /nfs/dbraw/zinc/70/43/59/881704359.db2.gz NHNZYYZORJERBO-NRFANRHFSA-N -1 0 402.516 4.345 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cnn1-c1cccc(C#N)c1 ZINC000438841669 864334727 /nfs/dbraw/zinc/33/47/27/864334727.db2.gz MIKJZWBQDIWRLY-UHFFFAOYSA-N -1 0 416.453 4.084 20 30 HIEDRM C=C(C)C[C@H](C)C(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000439932092 865233428 /nfs/dbraw/zinc/23/34/28/865233428.db2.gz WJGNJUAUVJYVPC-SGTLLEGYSA-N -1 0 423.435 4.352 20 30 HIEDRM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccccc3Oc3ncccc3C#N)ccc2O1 ZINC000440286400 865537857 /nfs/dbraw/zinc/53/78/57/865537857.db2.gz XEQJOPXEAANZEB-UHFFFAOYSA-N -1 0 421.478 4.260 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)cc1C#N ZINC000440654000 865857675 /nfs/dbraw/zinc/85/76/75/865857675.db2.gz RDIBIZHSSPIHBS-UHFFFAOYSA-N -1 0 420.494 4.115 20 30 HIEDRM CCc1ccc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C(=O)[O-] ZINC000440829154 865945195 /nfs/dbraw/zinc/94/51/95/865945195.db2.gz VQMIJTYCSCHFED-CYBMUJFWSA-N -1 0 404.513 4.142 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(COc3ccc(CC#N)cc3)c2)c1C#N ZINC000441318861 866389073 /nfs/dbraw/zinc/38/90/73/866389073.db2.gz SCNRGSMTKXGGFV-UHFFFAOYSA-N -1 0 417.490 4.313 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)c1C#N ZINC000441318051 866389372 /nfs/dbraw/zinc/38/93/72/866389372.db2.gz ZSUNHMCTBPUVFE-UHFFFAOYSA-N -1 0 416.396 4.085 20 30 HIEDRM N#CC(=C([O-])c1ncoc1-c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000442620394 867562643 /nfs/dbraw/zinc/56/26/43/867562643.db2.gz WGGWUBJHWGBSKD-CYBMUJFWSA-N -1 0 403.419 4.213 20 30 HIEDRM N#C[C@@H](C(=O)c1ccc(OC2CCOCC2)cc1)c1nc(-c2ccncc2)cs1 ZINC000442860451 867702264 /nfs/dbraw/zinc/70/22/64/867702264.db2.gz WQUSDNDFRDSNDG-IBGZPJMESA-N -1 0 405.479 4.253 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cc1[O-] ZINC000442965907 867767938 /nfs/dbraw/zinc/76/79/38/867767938.db2.gz NIQZUZLFMQKAMA-UHFFFAOYSA-N -1 0 406.286 4.464 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3cccs3)c2)cc1[O-] ZINC000443288586 867891888 /nfs/dbraw/zinc/89/18/88/867891888.db2.gz XCZXIDZMMIWAJL-UHFFFAOYSA-N -1 0 411.870 4.161 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c1 ZINC000443359063 867925869 /nfs/dbraw/zinc/92/58/69/867925869.db2.gz RXLFMVFSUKNKOQ-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443404659 867984650 /nfs/dbraw/zinc/98/46/50/867984650.db2.gz HDEZYNUXFLIXAG-UHFFFAOYSA-N -1 0 408.405 4.071 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000443467966 868056574 /nfs/dbraw/zinc/05/65/74/868056574.db2.gz SFFXUJRXWYPQSE-UHFFFAOYSA-N -1 0 418.824 4.075 20 30 HIEDRM O=S(=O)([N-]c1ccc(F)cc1OCCC(F)(F)F)c1ccc(F)c(F)c1F ZINC000443531316 868088225 /nfs/dbraw/zinc/08/82/25/868088225.db2.gz QHOSWJKGIBYUKA-UHFFFAOYSA-N -1 0 417.302 4.375 20 30 HIEDRM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000443530227 868088860 /nfs/dbraw/zinc/08/88/60/868088860.db2.gz IMDNEZZQZZRUNO-OAHLLOKOSA-N -1 0 422.466 4.440 20 30 HIEDRM CC(=O)Nc1ccc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000444461241 868837086 /nfs/dbraw/zinc/83/70/86/868837086.db2.gz QNYFBGIYNBCTRU-IBGZPJMESA-N -1 0 400.463 4.439 20 30 HIEDRM C=CC[C@H]1N(C(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CCCC1(C)C ZINC000444635626 868923397 /nfs/dbraw/zinc/92/33/97/868923397.db2.gz LEVQDJUHEDSESG-QGZVFWFLSA-N -1 0 419.572 4.151 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1C#N ZINC000444761234 868990658 /nfs/dbraw/zinc/99/06/58/868990658.db2.gz VVJUNUKWSVIJOE-GFCCVEGCSA-N -1 0 419.787 4.207 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cc1C#N ZINC000444761235 868991170 /nfs/dbraw/zinc/99/11/70/868991170.db2.gz VVJUNUKWSVIJOE-LBPRGKRZSA-N -1 0 419.787 4.207 20 30 HIEDRM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446624104 870527369 /nfs/dbraw/zinc/52/73/69/870527369.db2.gz MYCHTLVUMUYLDD-UHFFFAOYSA-N -1 0 406.529 4.161 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(F)c2F)nc1 ZINC000447269550 871153823 /nfs/dbraw/zinc/15/38/23/871153823.db2.gz CVQGJIJUACTWLK-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM CC[C@@H](c1nnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1)c1ccccc1 ZINC000447456100 871346104 /nfs/dbraw/zinc/34/61/04/871346104.db2.gz APVPEMXQECDGBM-QGZVFWFLSA-N -1 0 415.478 4.859 20 30 HIEDRM C=CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nc2c(s1)CCCC2 ZINC000447523131 871389671 /nfs/dbraw/zinc/38/96/71/871389671.db2.gz KXCXYILCIVBWKE-UHFFFAOYSA-N -1 0 414.918 4.399 20 30 HIEDRM N#C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccc(Cl)c1Cl ZINC000468605913 882708116 /nfs/dbraw/zinc/70/81/16/882708116.db2.gz METCLKYQXNWEHK-CYBMUJFWSA-N -1 0 405.216 4.018 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c(Cl)c1Cl ZINC000460843034 873733589 /nfs/dbraw/zinc/73/35/89/873733589.db2.gz QFOVFWPTEJUGQP-UHFFFAOYSA-N -1 0 415.298 4.485 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000463377693 876433306 /nfs/dbraw/zinc/43/33/06/876433306.db2.gz WJAUEUAIJZPAQE-UHFFFAOYSA-N -1 0 410.295 4.276 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(SCc2cccnc2)cc1 ZINC000463514592 876578669 /nfs/dbraw/zinc/57/86/69/876578669.db2.gz RUISJCWGPJCIDA-UHFFFAOYSA-N -1 0 411.508 4.055 20 30 HIEDRM CSc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3F)n2)cc1Cl ZINC000463781695 876901370 /nfs/dbraw/zinc/90/13/70/876901370.db2.gz JNTCHWASTAELJC-UHFFFAOYSA-N -1 0 422.894 4.059 20 30 HIEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000463788264 876907385 /nfs/dbraw/zinc/90/73/85/876907385.db2.gz MTCFMYRHTINGEL-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000463796352 876915029 /nfs/dbraw/zinc/91/50/29/876915029.db2.gz DGBHYOXDWMQQGK-UHFFFAOYSA-N -1 0 418.272 4.085 20 30 HIEDRM N#CC(=C([O-])c1ncoc1-c1ccc2c(c1)OCCO2)c1cc(C(F)(F)F)ccn1 ZINC000464424773 877635138 /nfs/dbraw/zinc/63/51/38/877635138.db2.gz HKOLLNZZOVWLTP-CYBMUJFWSA-N -1 0 415.327 4.017 20 30 HIEDRM CCCCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464463107 877684324 /nfs/dbraw/zinc/68/43/24/877684324.db2.gz BCEQYMDQMLJDGG-INIZCTEOSA-N -1 0 410.417 4.164 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1ccc2ncccc2c1 ZINC000464479073 877698893 /nfs/dbraw/zinc/69/88/93/877698893.db2.gz VZCZOZDDIQJXEX-INIZCTEOSA-N -1 0 422.370 4.028 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc(F)cc2F)n1)c1nc2ccccc2n1C(F)F ZINC000464530823 877747054 /nfs/dbraw/zinc/74/70/54/877747054.db2.gz WFBXVVMYRMQABB-LBPRGKRZSA-N -1 0 413.334 4.385 20 30 HIEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000464531741 877748535 /nfs/dbraw/zinc/74/85/35/877748535.db2.gz XFKWOJLALUDHRS-AWEZNQCLSA-N -1 0 407.380 4.320 20 30 HIEDRM CS(=O)(=O)c1csc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000503385785 912367163 /nfs/dbraw/zinc/36/71/63/912367163.db2.gz KWDLTSQJNFYEAU-ZDUSSCGKSA-N -1 0 422.940 4.419 20 30 HIEDRM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000466255068 879980096 /nfs/dbraw/zinc/98/00/96/879980096.db2.gz MPCRVIWGIHNPTO-UHFFFAOYSA-N -1 0 400.406 4.313 20 30 HIEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000467427986 881218516 /nfs/dbraw/zinc/21/85/16/881218516.db2.gz NYDITHVXQMUOBL-UHFFFAOYSA-N -1 0 418.824 4.075 20 30 HIEDRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)cc2)n[nH]1 ZINC000469328852 883435995 /nfs/dbraw/zinc/43/59/95/883435995.db2.gz IZQFEQFWWHUEDP-UHFFFAOYSA-N -1 0 422.388 4.202 20 30 HIEDRM N#CC(=C([O-])c1cn(Cc2cccc(F)c2)nn1)c1nc(-c2ccccc2)cs1 ZINC000469536152 883804540 /nfs/dbraw/zinc/80/45/40/883804540.db2.gz UZFPUPKSVRAMGD-QGZVFWFLSA-N -1 0 403.442 4.079 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC[C@H](C)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000470854907 885349641 /nfs/dbraw/zinc/34/96/41/885349641.db2.gz HXOMRLVXAVPAQZ-NSHDSACASA-N -1 0 409.433 4.323 20 30 HIEDRM CC(C)c1nc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cc2s1 ZINC000471124526 885661477 /nfs/dbraw/zinc/66/14/77/885661477.db2.gz KVMSINRCEKLPEW-UHFFFAOYSA-N -1 0 402.457 4.000 20 30 HIEDRM CC[C@H](c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1)c1ccccc1 ZINC000471508937 886211366 /nfs/dbraw/zinc/21/13/66/886211366.db2.gz YFYJPVWXVQYWFV-HNNXBMFYSA-N -1 0 418.931 4.406 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)cc1 ZINC000471923135 886712536 /nfs/dbraw/zinc/71/25/36/886712536.db2.gz WUDLCWUEBBSARE-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471931370 886724245 /nfs/dbraw/zinc/72/42/45/886724245.db2.gz COEZYVYOEOCQSC-UHFFFAOYSA-N -1 0 422.441 4.475 20 30 HIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000504236530 913107079 /nfs/dbraw/zinc/10/70/79/913107079.db2.gz SLTWQEQUTOWNAQ-UHFFFAOYSA-N -1 0 403.660 4.223 20 30 HIEDRM Cc1cc(Br)cc2c(C([O-])=C(C#N)c3nnc4n3CCCCC4)coc21 ZINC000473488303 888209698 /nfs/dbraw/zinc/20/96/98/888209698.db2.gz IQCYZSWFSPOAID-CQSZACIVSA-N -1 0 413.275 4.312 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(Cl)cc3Cl)nc2)cn1 ZINC000473771973 888570552 /nfs/dbraw/zinc/57/05/52/888570552.db2.gz HFSRVSCFZYWWKB-UHFFFAOYSA-N -1 0 405.266 4.123 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1cccc2cnccc21 ZINC000474420212 889283488 /nfs/dbraw/zinc/28/34/88/889283488.db2.gz DAZPMKLVSKMEHJ-INIZCTEOSA-N -1 0 402.483 4.194 20 30 HIEDRM C=C(C)Cn1c(SCC(=O)Nc2cc(F)cc(Cl)c2[O-])nnc1-c1ccco1 ZINC000474426789 889290524 /nfs/dbraw/zinc/29/05/24/889290524.db2.gz LUHGKINBFVZXIU-UHFFFAOYSA-N -1 0 422.869 4.343 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(-c3ccccc3C(F)(F)F)nn2)n1 ZINC000474430607 889296420 /nfs/dbraw/zinc/29/64/20/889296420.db2.gz GJKSMFKMZXTEPT-LLVKDONJSA-N -1 0 405.405 4.356 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccc(F)cc1F ZINC000504599169 913356660 /nfs/dbraw/zinc/35/66/60/913356660.db2.gz QYAVUPMKGWKUFS-CYBMUJFWSA-N -1 0 406.314 4.363 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000475810066 890744732 /nfs/dbraw/zinc/74/47/32/890744732.db2.gz MEQMKKQPNKVPOW-UHFFFAOYSA-N -1 0 415.858 4.052 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)(F)F ZINC000475820161 890754745 /nfs/dbraw/zinc/75/47/45/890754745.db2.gz VASWJWWYDRPMCW-UHFFFAOYSA-N -1 0 404.797 4.148 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000476189547 891121447 /nfs/dbraw/zinc/12/14/47/891121447.db2.gz JYTHREJDGDMWBU-CQSZACIVSA-N -1 0 410.751 4.072 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)cc1Cl ZINC000476236015 891159015 /nfs/dbraw/zinc/15/90/15/891159015.db2.gz UPMZSYUTQHXSLQ-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM Cc1c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cnn1-c1ccc(Cl)cc1 ZINC000476261503 891184653 /nfs/dbraw/zinc/18/46/53/891184653.db2.gz PINXFVIQTWLLJP-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM COc1ccccc1Oc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000476737240 891703594 /nfs/dbraw/zinc/70/35/94/891703594.db2.gz PQWZCTZEZKDLOV-UHFFFAOYSA-N -1 0 407.451 4.434 20 30 HIEDRM C=C(C)[C@@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1ccc(F)c(F)c1 ZINC000477732344 892831067 /nfs/dbraw/zinc/83/10/67/892831067.db2.gz SDPLAGCQJDTIRB-MRXNPFEDSA-N -1 0 404.442 4.134 20 30 HIEDRM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000477871188 892930210 /nfs/dbraw/zinc/93/02/10/892930210.db2.gz CVLOPZVAFNLVJI-AWEZNQCLSA-N -1 0 415.400 4.239 20 30 HIEDRM N#Cc1ccc(CC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[n-]s2)cc1 ZINC000505209344 913884139 /nfs/dbraw/zinc/88/41/39/913884139.db2.gz IIUZJZRJDHZNKN-UHFFFAOYSA-N -1 0 412.474 4.472 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c1 ZINC000479522568 894833018 /nfs/dbraw/zinc/83/30/18/894833018.db2.gz NTLHLCKKCZQPLR-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1-c1ccccc1Cl ZINC000480197119 895595376 /nfs/dbraw/zinc/59/53/76/895595376.db2.gz GFBDUGCVCNAAKB-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1[N+](=O)[O-] ZINC000480199449 895597947 /nfs/dbraw/zinc/59/79/47/895597947.db2.gz VNZDPAWPGBFPGW-CQSZACIVSA-N -1 0 405.501 4.407 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000480242085 895650882 /nfs/dbraw/zinc/65/08/82/895650882.db2.gz PNTFZWPOSSVODK-UHFFFAOYSA-N -1 0 420.416 4.126 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cnn1C(CC)CC ZINC000480243097 895652422 /nfs/dbraw/zinc/65/24/22/895652422.db2.gz CYACHHIQMRVAFR-UHFFFAOYSA-N -1 0 414.453 4.498 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1ccccc1C ZINC000480244055 895653824 /nfs/dbraw/zinc/65/38/24/895653824.db2.gz UOPDAVZRQJDDBR-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000480969647 896307548 /nfs/dbraw/zinc/30/75/48/896307548.db2.gz IPGQIPJNIWTJLR-KRWDZBQOSA-N -1 0 402.483 4.329 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ncccc4c3)on2)c(Cl)c1 ZINC000481854675 897220741 /nfs/dbraw/zinc/22/07/41/897220741.db2.gz KGUOXOGTDBREFZ-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000481981814 897375464 /nfs/dbraw/zinc/37/54/64/897375464.db2.gz PGQJRGTWFZYPOJ-LBPRGKRZSA-N -1 0 405.501 4.264 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000481983093 897377458 /nfs/dbraw/zinc/37/74/58/897377458.db2.gz QHJVNGWPNPSGOA-AWEZNQCLSA-N -1 0 405.501 4.407 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)nnn1Cc1ccc(F)cc1F ZINC000482561887 898154608 /nfs/dbraw/zinc/15/46/08/898154608.db2.gz VXONWDHTISXHPM-AWEZNQCLSA-N -1 0 409.421 4.013 20 30 HIEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nn1 ZINC000482592586 898192871 /nfs/dbraw/zinc/19/28/71/898192871.db2.gz NZWSFCXGCYYTJQ-LBMSDSGBSA-N -1 0 409.559 4.447 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1nccc2ccccc21 ZINC000483192674 898850330 /nfs/dbraw/zinc/85/03/30/898850330.db2.gz GVDZLILEHVJKOA-KRWDZBQOSA-N -1 0 407.355 4.324 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1cnc2ccccc2n1 ZINC000483192124 898850417 /nfs/dbraw/zinc/85/04/17/898850417.db2.gz GGAHWHDCACGXRF-SFHVURJKSA-N -1 0 422.423 4.235 20 30 HIEDRM Cc1noc(CSc2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2)n1 ZINC000483200340 898855879 /nfs/dbraw/zinc/85/58/79/898855879.db2.gz QGGPIUWJRVLTBE-INIZCTEOSA-N -1 0 401.451 4.104 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc(Br)c2)n1)c1cnc2ccccc2n1 ZINC000483205846 898858902 /nfs/dbraw/zinc/85/89/02/898858902.db2.gz VVQFUEQTZUHNGN-HNNXBMFYSA-N -1 0 418.254 4.068 20 30 HIEDRM CN(C(=O)c1cccs1)c1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483215375 898862982 /nfs/dbraw/zinc/86/29/82/898862982.db2.gz HRWHPZWJCKBPAF-INIZCTEOSA-N -1 0 412.474 4.458 20 30 HIEDRM CSc1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)n1-c1ccc(F)cc1 ZINC000483216222 898864198 /nfs/dbraw/zinc/86/41/98/898864198.db2.gz JXNKGDOWAYAERI-HNNXBMFYSA-N -1 0 403.442 4.167 20 30 HIEDRM COCc1nc2sc(C([O-])=C(C#N)c3nccc4ccccc43)c(C)c2c(OC)n1 ZINC000483220444 898866273 /nfs/dbraw/zinc/86/62/73/898866273.db2.gz XCZLBPGWZYREIY-HNNXBMFYSA-N -1 0 418.478 4.193 20 30 HIEDRM CC(C)c1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1-c1ccccc1Cl ZINC000483234253 898878240 /nfs/dbraw/zinc/87/82/40/898878240.db2.gz JUOOEOXNVFGDLQ-CQSZACIVSA-N -1 0 416.872 4.477 20 30 HIEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000484018914 899652185 /nfs/dbraw/zinc/65/21/85/899652185.db2.gz ZPYUHYROCXHGHM-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000485077040 900395513 /nfs/dbraw/zinc/39/55/13/900395513.db2.gz VNSBVHDJKZXULC-UHFFFAOYSA-N -1 0 402.369 4.328 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1ccccc1 ZINC000486074589 901266785 /nfs/dbraw/zinc/26/67/85/901266785.db2.gz BJEJLAHMKVYKPZ-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1ccccc1 ZINC000486083043 901272871 /nfs/dbraw/zinc/27/28/71/901272871.db2.gz BRQHBIPSQLCWCN-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C3CCC3)cc2)c(C(F)(F)F)c1 ZINC000486085288 901274386 /nfs/dbraw/zinc/27/43/86/901274386.db2.gz HQWLZDDWIVATNU-UHFFFAOYSA-N -1 0 408.401 4.361 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)(C)C)c2-c2ccccc2)n1 ZINC000488065563 902578184 /nfs/dbraw/zinc/57/81/84/902578184.db2.gz CCQVPWQZPSJAHR-OAHLLOKOSA-N -1 0 422.510 4.428 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cnn1CCC(C)C ZINC000491595190 904666392 /nfs/dbraw/zinc/66/63/92/904666392.db2.gz XPAOMFDUJYJPNT-UHFFFAOYSA-N -1 0 414.453 4.183 20 30 HIEDRM N#Cc1cccc(COc2ccc(NC(=O)c3[n-]cnc3C(=O)c3ccccc3)cc2)c1 ZINC000497101951 906806562 /nfs/dbraw/zinc/80/65/62/906806562.db2.gz ZNOULEGAGXYMMT-UHFFFAOYSA-N -1 0 422.444 4.344 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Br)c(CC)s2)n1 ZINC000497414050 906889354 /nfs/dbraw/zinc/88/93/54/906889354.db2.gz CNOORKHHHDIMIE-QMMMGPOBSA-N -1 0 413.318 4.196 20 30 HIEDRM CN1c2ccc(S(=O)(=O)[N-]c3ccccc3SCCC#N)c3cccc(c23)C1=O ZINC000512742270 921300275 /nfs/dbraw/zinc/30/02/75/921300275.db2.gz KHJHBTKRFDLAHA-UHFFFAOYSA-N -1 0 423.519 4.236 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccccc1Cl ZINC000499194337 908548811 /nfs/dbraw/zinc/54/88/11/908548811.db2.gz RKRSPECOLDFFPH-GFCCVEGCSA-N -1 0 419.794 4.387 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ncccc3Cl)c2C(F)(F)F)n1 ZINC000499572905 908844615 /nfs/dbraw/zinc/84/46/15/908844615.db2.gz CPFYREJNIOMJCQ-VIFPVBQESA-N -1 0 411.796 4.195 20 30 HIEDRM C=CCN(Cc1c([O-])nnn1-c1ccccc1)Cc1cc(Br)ccc1F ZINC000502292608 911250278 /nfs/dbraw/zinc/25/02/78/911250278.db2.gz HZKXQUSXVYLYJH-UHFFFAOYSA-N -1 0 417.282 4.063 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c(Cl)c1 ZINC000502437148 911421938 /nfs/dbraw/zinc/42/19/38/911421938.db2.gz CJTVPNXZRSOWPZ-UHFFFAOYSA-N -1 0 414.899 4.389 20 30 HIEDRM N#Cc1ccccc1OCc1cccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000513283370 921682565 /nfs/dbraw/zinc/68/25/65/921682565.db2.gz BICBZWAKGKNPLP-UHFFFAOYSA-N -1 0 418.503 4.391 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(OCC(F)(F)F)c1 ZINC000502776978 911801527 /nfs/dbraw/zinc/80/15/27/911801527.db2.gz JXKSJNZGOMCYIQ-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502779453 911803638 /nfs/dbraw/zinc/80/36/38/911803638.db2.gz WVIOGSCINLVXHR-UHFFFAOYSA-N -1 0 422.934 4.346 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)c(Cl)c1 ZINC000502811213 911828306 /nfs/dbraw/zinc/82/83/06/911828306.db2.gz BRBJLFCJWRYULY-CQSZACIVSA-N -1 0 415.902 4.307 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1OCC(F)(F)F ZINC000513376684 921749005 /nfs/dbraw/zinc/74/90/05/921749005.db2.gz IKRVRJOGLBYGLW-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000506727251 915409486 /nfs/dbraw/zinc/40/94/86/915409486.db2.gz RLCAZRLGMQKPOC-UHFFFAOYSA-N -1 0 418.824 4.075 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000513418740 921787447 /nfs/dbraw/zinc/78/74/47/921787447.db2.gz CGPVCLKGVHHNRY-KRWDZBQOSA-N -1 0 419.506 4.159 20 30 HIEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000507081658 915858340 /nfs/dbraw/zinc/85/83/40/915858340.db2.gz AFHZCYIIYJDYCB-MRXNPFEDSA-N -1 0 417.687 4.008 20 30 HIEDRM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000507280551 916047441 /nfs/dbraw/zinc/04/74/41/916047441.db2.gz LOCCTBLGASMJKD-UHFFFAOYSA-N -1 0 403.813 4.097 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(OCc3cccc(C)c3)cc2)cc1C#N ZINC000509449643 918101847 /nfs/dbraw/zinc/10/18/47/918101847.db2.gz IZPQBQGNVKFARW-UHFFFAOYSA-N -1 0 419.506 4.198 20 30 HIEDRM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3cccc(F)c3F)c2)c1 ZINC000509600112 918249322 /nfs/dbraw/zinc/24/93/22/918249322.db2.gz HZRSNGYPKCQWLH-UHFFFAOYSA-N -1 0 400.406 4.216 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000510045084 918616386 /nfs/dbraw/zinc/61/63/86/918616386.db2.gz XHFMRNYHDPOPKR-QGZVFWFLSA-N -1 0 419.506 4.159 20 30 HIEDRM Cc1c(Br)cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000511914687 920656521 /nfs/dbraw/zinc/65/65/21/920656521.db2.gz PIAVNGYLHTWUOB-NSHDSACASA-N -1 0 400.188 4.297 20 30 HIEDRM N#Cc1ccccc1OCc1cccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)c1 ZINC000513515883 921861403 /nfs/dbraw/zinc/86/14/03/921861403.db2.gz YAAUKIZAVXQRAO-UHFFFAOYSA-N -1 0 412.474 4.330 20 30 HIEDRM Cc1noc(CSc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)n1 ZINC000513677053 921998988 /nfs/dbraw/zinc/99/89/88/921998988.db2.gz PLZVIIYYONXEFS-INIZCTEOSA-N -1 0 403.467 4.047 20 30 HIEDRM N#CC(=C([O-])c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1nc2ccccc2s1 ZINC000513681393 922001822 /nfs/dbraw/zinc/00/18/22/922001822.db2.gz BBVLEDMQLZDNSU-INIZCTEOSA-N -1 0 414.490 4.223 20 30 HIEDRM C=CCOc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1Cl ZINC000514821395 922815171 /nfs/dbraw/zinc/81/51/71/922815171.db2.gz TWJPGTAKUKKPOI-UVTDQMKNSA-N -1 0 408.841 4.257 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c(Cl)c1 ZINC000515630773 923231080 /nfs/dbraw/zinc/23/10/80/923231080.db2.gz GKLKLAZEOAFYLK-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(NC(=O)C(C)(C)C)cc2C)n1 ZINC000517925134 926892359 /nfs/dbraw/zinc/89/23/59/926892359.db2.gz CIOHYYPHRYDPGC-LLVKDONJSA-N -1 0 419.528 4.164 20 30 HIEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1C ZINC000518112032 927026731 /nfs/dbraw/zinc/02/67/31/927026731.db2.gz FPHGFPVYTNFSQY-LBPRGKRZSA-N -1 0 405.501 4.264 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1ccc2ncccc2c1 ZINC000518260570 927118418 /nfs/dbraw/zinc/11/84/18/927118418.db2.gz NAWJMDOTGHJMMD-MRXNPFEDSA-N -1 0 422.370 4.028 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000518329416 927193692 /nfs/dbraw/zinc/19/36/92/927193692.db2.gz VPGCHUZASANTDV-UHFFFAOYSA-N -1 0 407.451 4.464 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C)nn4c3nc(C)cc4C)n2)cc1 ZINC000518515507 927320269 /nfs/dbraw/zinc/32/02/69/927320269.db2.gz VDAPOGMKUIXGDJ-KRWDZBQOSA-N -1 0 417.494 4.277 20 30 HIEDRM Cc1nn2c(nc(C)cc2C)c1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000518516453 927321186 /nfs/dbraw/zinc/32/11/86/927321186.db2.gz DKDDKSPTOCKUSW-QGZVFWFLSA-N -1 0 412.478 4.140 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(OCc3cccs3)c2)n1 ZINC000518662435 927414830 /nfs/dbraw/zinc/41/48/30/927414830.db2.gz DGNCDLSWJSZWQQ-MRXNPFEDSA-N -1 0 412.492 4.450 20 30 HIEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c(Cl)c1 ZINC000518741499 927469274 /nfs/dbraw/zinc/46/92/74/927469274.db2.gz FLAIUGZWKKZZKR-LBPRGKRZSA-N -1 0 424.931 4.322 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ccc(Cl)s2)n1)c1nnc2n1CCCCC2 ZINC000520164745 928357023 /nfs/dbraw/zinc/35/70/23/928357023.db2.gz JMPHMADWQAMLNN-SNVBAGLBSA-N -1 0 403.920 4.333 20 30 HIEDRM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)c12 ZINC000521259109 929086218 /nfs/dbraw/zinc/08/62/18/929086218.db2.gz KTYBVOUJARXGAA-CYBMUJFWSA-N -1 0 423.448 4.477 20 30 HIEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c(Cl)c1 ZINC000521713272 929383183 /nfs/dbraw/zinc/38/31/83/929383183.db2.gz XYZUYTARXRHVJC-GFCCVEGCSA-N -1 0 424.931 4.179 20 30 HIEDRM C=C(C)COc1cc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)ccc1OC ZINC000521935728 929574681 /nfs/dbraw/zinc/57/46/81/929574681.db2.gz ZDFHONISXWRPDZ-MHWRWJLKSA-N -1 0 418.449 4.003 20 30 HIEDRM N#Cc1cccc(COc2ccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2F)c1 ZINC000524498012 929645123 /nfs/dbraw/zinc/64/51/23/929645123.db2.gz KQEUJWOTCUNULT-UHFFFAOYSA-N -1 0 413.408 4.370 20 30 HIEDRM CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)cn1 ZINC000525019393 929978240 /nfs/dbraw/zinc/97/82/40/929978240.db2.gz RRISAKRNTHTROT-UHFFFAOYSA-N -1 0 418.466 4.289 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2cnccn2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000525447103 930244720 /nfs/dbraw/zinc/24/47/20/930244720.db2.gz POYUFIXYKRHWRZ-AWEZNQCLSA-N -1 0 414.475 4.085 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000525483005 930271577 /nfs/dbraw/zinc/27/15/77/930271577.db2.gz UQUDLHCKHSUIBW-UHFFFAOYSA-N -1 0 417.512 4.443 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000525524423 930301768 /nfs/dbraw/zinc/30/17/68/930301768.db2.gz VARCCKIIOUWIBB-UHFFFAOYSA-N -1 0 408.323 4.483 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2OCc2cccc(Cl)c2)c(F)c1 ZINC000531111442 930924338 /nfs/dbraw/zinc/92/43/38/930924338.db2.gz SMWSFMOJEGQNTB-UHFFFAOYSA-N -1 0 417.849 4.126 20 30 HIEDRM N#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cc4ccccc4o3)c2)c1 ZINC000531486080 931074653 /nfs/dbraw/zinc/07/46/53/931074653.db2.gz HSSIMKCARMPDOP-UHFFFAOYSA-N -1 0 417.446 4.358 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)cc1 ZINC000531486605 931074702 /nfs/dbraw/zinc/07/47/02/931074702.db2.gz MDSCTDGVMXFBKY-UHFFFAOYSA-N -1 0 421.522 4.158 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)c(F)c1 ZINC000531556071 931101266 /nfs/dbraw/zinc/10/12/66/931101266.db2.gz LVOJWTGVAJODDQ-KRWDZBQOSA-N -1 0 408.426 4.105 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccc(Br)cc2)cn1)c1nc2ccccc2o1 ZINC000533756063 932011946 /nfs/dbraw/zinc/01/19/46/932011946.db2.gz MHDPIYHHIRUHLQ-CQSZACIVSA-N -1 0 407.227 4.266 20 30 HIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cc1 ZINC000534499758 932535101 /nfs/dbraw/zinc/53/51/01/932535101.db2.gz LQUFRGRKEXFDHP-UHFFFAOYSA-N -1 0 415.259 4.329 20 30 HIEDRM CC(C)c1cc(Br)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000534794004 932774679 /nfs/dbraw/zinc/77/46/79/932774679.db2.gz HQPHNVBSRYBYCA-UHFFFAOYSA-N -1 0 424.276 4.153 20 30 HIEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1C1CC1 ZINC000534975241 932871547 /nfs/dbraw/zinc/87/15/47/932871547.db2.gz GRDKRMBUCLPOQE-NSHDSACASA-N -1 0 412.437 4.423 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)s2)cc1 ZINC000535136329 932956244 /nfs/dbraw/zinc/95/62/44/932956244.db2.gz AOLSQIPCMNMOKR-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM N#CC(=C([O-])c1csc([C@@H]2CCCO2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000535206756 933014381 /nfs/dbraw/zinc/01/43/81/933014381.db2.gz SHEBUGMAQGUBBI-YOEHRIQHSA-N -1 0 406.492 4.480 20 30 HIEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1Cl ZINC000541165107 939483558 /nfs/dbraw/zinc/48/35/58/939483558.db2.gz ORBASCINDBUGKQ-UHFFFAOYSA-N -1 0 402.781 4.234 20 30 HIEDRM COc1c2cnn(C)c2ncc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000541353918 939496216 /nfs/dbraw/zinc/49/62/16/939496216.db2.gz CWKTYQCORFYYBN-CYBMUJFWSA-N -1 0 423.885 4.244 20 30 HIEDRM C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542989525 939892289 /nfs/dbraw/zinc/89/22/89/939892289.db2.gz QRQNPXNPSDEVTK-INIZCTEOSA-N -1 0 419.506 4.088 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543865628 940216523 /nfs/dbraw/zinc/21/65/23/940216523.db2.gz BXDHPENODYPUBF-LLVKDONJSA-N -1 0 401.435 4.153 20 30 HIEDRM CO[C@@H](C)c1nc(=NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s[n-]1 ZINC000563878709 945319567 /nfs/dbraw/zinc/31/95/67/945319567.db2.gz UXAPGRISAQATHT-KGLIPLIRSA-N -1 0 407.499 4.089 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)ncc1Br ZINC000544620585 940491975 /nfs/dbraw/zinc/49/19/75/940491975.db2.gz IOZXODDIPQLDMS-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000545445135 940570143 /nfs/dbraw/zinc/57/01/43/940570143.db2.gz MUSLUEVWHJOORE-UHFFFAOYSA-N -1 0 413.282 4.029 20 30 HIEDRM N#CC(=C([O-])c1cccc(Sc2cccc(Br)c2)n1)c1ccncn1 ZINC000545446363 940570260 /nfs/dbraw/zinc/57/02/60/940570260.db2.gz HNANJGAIMXGHLP-AWEZNQCLSA-N -1 0 411.284 4.275 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4c(n3)CCCC4)cc2)c(Cl)c1 ZINC000545858785 940640615 /nfs/dbraw/zinc/64/06/15/940640615.db2.gz ZJZQVFARXGZADB-UHFFFAOYSA-N -1 0 412.902 4.212 20 30 HIEDRM Cn1c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc2nc1C(C)(C)C ZINC000546563904 940854282 /nfs/dbraw/zinc/85/42/82/940854282.db2.gz SAWLSCLJRYDATI-UHFFFAOYSA-N -1 0 402.907 4.197 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C)nn(CC(F)F)c3C)n2)cc1 ZINC000546929377 940916401 /nfs/dbraw/zinc/91/64/01/940916401.db2.gz DAZYOMYLXIGHSY-OAHLLOKOSA-N -1 0 416.453 4.387 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000549755789 941206512 /nfs/dbraw/zinc/20/65/12/941206512.db2.gz ZHLWSNQOLQHSEQ-UHFFFAOYSA-N -1 0 401.831 4.427 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000554670190 942194482 /nfs/dbraw/zinc/19/44/82/942194482.db2.gz UERHNBCNYWBKDB-UHFFFAOYSA-N -1 0 404.495 4.242 20 30 HIEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000555065043 942374824 /nfs/dbraw/zinc/37/48/24/942374824.db2.gz CKKVRTXUKBFBSS-NSHDSACASA-N -1 0 405.266 4.196 20 30 HIEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)s2)cc1OC ZINC000556067575 942800745 /nfs/dbraw/zinc/80/07/45/942800745.db2.gz SZHHCMAAUCWUOT-ZDUSSCGKSA-N -1 0 405.435 4.459 20 30 HIEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)c1 ZINC000556319879 942840011 /nfs/dbraw/zinc/84/00/11/942840011.db2.gz RJYZCFYRUYVLOP-UHFFFAOYSA-N -1 0 422.510 4.045 20 30 HIEDRM CCc1oc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1C(=O)OC ZINC000558866328 943708460 /nfs/dbraw/zinc/70/84/60/943708460.db2.gz SSAZHYHPNRHHTJ-HNNXBMFYSA-N -1 0 410.451 4.251 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2Cl)cc1 ZINC000561263126 944532549 /nfs/dbraw/zinc/53/25/49/944532549.db2.gz MZQBWYJRLHGDLV-UHFFFAOYSA-N -1 0 404.919 4.263 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000567270378 946284994 /nfs/dbraw/zinc/28/49/94/946284994.db2.gz WECTUWNVNWMXPV-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#Cc1ccc(OC2CCN(C(=O)c3c(O)cnc4ccc(Cl)cc43)CC2)cc1 ZINC000567357054 946314008 /nfs/dbraw/zinc/31/40/08/946314008.db2.gz PXWZQDWVMKELKT-UHFFFAOYSA-N -1 0 407.857 4.149 20 30 HIEDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000567414234 946330310 /nfs/dbraw/zinc/33/03/10/946330310.db2.gz MGFIHQJUXPAUML-UHFFFAOYSA-N -1 0 403.451 4.341 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000574009468 948349424 /nfs/dbraw/zinc/34/94/24/948349424.db2.gz MDVHMMUNWUTPGP-UHFFFAOYSA-N -1 0 419.222 4.281 20 30 HIEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000007381586 845320032 /nfs/dbraw/zinc/32/00/32/845320032.db2.gz WVSNJISALRXJLG-QGZVFWFLSA-N -1 0 401.875 4.401 20 30 HIEDRM COc1ccc2cc(C=CC(=O)OCC([O-])=C(C#N)c3nc(C)cs3)ccc2c1 ZINC000007420738 845326555 /nfs/dbraw/zinc/32/65/55/845326555.db2.gz ALFMREDRDGCYMO-AMGQUURNSA-N -1 0 406.463 4.046 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc(OCc3cccc(C)c3)c2)n1 ZINC000025780878 847036760 /nfs/dbraw/zinc/03/67/60/847036760.db2.gz YYHKPVKGWKWKFP-HXUWFJFHSA-N -1 0 420.490 4.372 20 30 HIEDRM CN(Cc1cccc(C#N)c1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000026325943 847127027 /nfs/dbraw/zinc/12/70/27/847127027.db2.gz PYALEUKPURTCKO-UHFFFAOYSA-N -1 0 404.470 4.294 20 30 HIEDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cccc(C#N)c1C ZINC000436505812 861829323 /nfs/dbraw/zinc/82/93/23/861829323.db2.gz AGTXRQHFLHIVSN-FQEVSTJZSA-N -1 0 417.513 4.111 20 30 HIEDRM N#Cc1ccccc1N1CCCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000436528147 861836003 /nfs/dbraw/zinc/83/60/03/861836003.db2.gz KHYWXCFSBHNEHS-UHFFFAOYSA-N -1 0 405.885 4.423 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1C#N ZINC000031910303 847964501 /nfs/dbraw/zinc/96/45/01/847964501.db2.gz KQFFBEPSWAIHSM-UHFFFAOYSA-N -1 0 400.460 4.204 20 30 HIEDRM N#CCc1ccc(NC(=O)c2cc(Br)c([O-])c(Br)c2)cc1 ZINC000436639401 861878575 /nfs/dbraw/zinc/87/85/75/861878575.db2.gz KGXFHKGRZNHMJT-UHFFFAOYSA-N -1 0 410.065 4.236 20 30 HIEDRM Cc1cc(C(C#N)=C([O-])c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)nc(C)n1 ZINC000041561015 848233803 /nfs/dbraw/zinc/23/38/03/848233803.db2.gz BNYQYLFHSJNPMJ-INIZCTEOSA-N -1 0 418.457 4.032 20 30 HIEDRM N#CC(=C([O-])c1occc1CS(=O)(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000048855444 849275208 /nfs/dbraw/zinc/27/52/08/849275208.db2.gz FPGVZNWCYDZWEI-IBGZPJMESA-N -1 0 416.458 4.292 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3csc(-c4cnn(C)c4)n3)n2)cc1 ZINC000051154737 849437672 /nfs/dbraw/zinc/43/76/72/849437672.db2.gz HWWBKZPCTXNLLZ-OAHLLOKOSA-N -1 0 405.508 4.466 20 30 HIEDRM N#CC(=C([O-])c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000054735826 849915500 /nfs/dbraw/zinc/91/55/00/849915500.db2.gz LKJUMGNWMPKNFF-LBPRGKRZSA-N -1 0 405.288 4.167 20 30 HIEDRM N#CC(=C([O-])c1ccccc1SCC(=O)N1CCCC1)c1nc2ccccc2o1 ZINC000054735207 849915581 /nfs/dbraw/zinc/91/55/81/849915581.db2.gz YPXAEKXEEILDGD-INIZCTEOSA-N -1 0 405.479 4.032 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055639908 850087128 /nfs/dbraw/zinc/08/71/28/850087128.db2.gz RYHDFJRYCKGXPH-UHFFFAOYSA-N -1 0 409.389 4.060 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(CC#N)cc2)ccc1F ZINC000061110460 851295312 /nfs/dbraw/zinc/29/53/12/851295312.db2.gz UVGOHAUZGCJOOV-UHFFFAOYSA-N -1 0 423.469 4.253 20 30 HIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000063878471 851783946 /nfs/dbraw/zinc/78/39/46/851783946.db2.gz NUTCGIDKEXNICS-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000065484359 852154462 /nfs/dbraw/zinc/15/44/62/852154462.db2.gz KCUASJNOWBOKNL-UHFFFAOYSA-N -1 0 404.488 4.069 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2csc(Cc3ccc(F)cc3)n2)c(C)c1 ZINC000065484529 852155952 /nfs/dbraw/zinc/15/59/52/852155952.db2.gz XNNHQKCBOFRBOW-UHFFFAOYSA-N -1 0 418.515 4.378 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)cc2[n-]c1=S ZINC000096950276 852561094 /nfs/dbraw/zinc/56/10/94/852561094.db2.gz AIZBDQKLNOAPHV-HXUWFJFHSA-N -1 0 423.538 4.007 20 30 HIEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000147854389 853596265 /nfs/dbraw/zinc/59/62/65/853596265.db2.gz IVKPTVDCMYRFIW-AWEZNQCLSA-N -1 0 403.423 4.095 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1nc(-c2ccncc2)cs1 ZINC000195662383 853744776 /nfs/dbraw/zinc/74/47/76/853744776.db2.gz OTUOTRBQFXWGRU-GOSISDBHSA-N -1 0 411.490 4.370 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NCCc3csc4ccccc34)cc2[n-]c1=S ZINC000195683153 853756021 /nfs/dbraw/zinc/75/60/21/853756021.db2.gz ZICYWTMHRABBTR-UHFFFAOYSA-N -1 0 421.547 4.432 20 30 HIEDRM C[C@@H](Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1)c1ccc(C#N)cc1 ZINC000301495985 854408147 /nfs/dbraw/zinc/40/81/47/854408147.db2.gz BTMIFIMFYNNFGA-CYBMUJFWSA-N -1 0 414.437 4.205 20 30 HIEDRM COc1ccc(-n2c([N-]S(=O)(=O)c3ccc(C#N)cc3C)nc3ccccc32)cc1 ZINC000437315290 862581417 /nfs/dbraw/zinc/58/14/17/862581417.db2.gz QYFPDAKZAMDCQI-UHFFFAOYSA-N -1 0 418.478 4.015 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000303333528 854877803 /nfs/dbraw/zinc/87/78/03/854877803.db2.gz DDAZATPTUJXEAS-UHFFFAOYSA-N -1 0 419.812 4.237 20 30 HIEDRM Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000303579128 855053962 /nfs/dbraw/zinc/05/39/62/855053962.db2.gz OKSXLIRCOMMROV-UHFFFAOYSA-N -1 0 405.479 4.228 20 30 HIEDRM O=S(=O)([N-]c1ccc(F)cc1OC(F)F)c1cc(C(F)(F)F)ccc1F ZINC000303980905 855334529 /nfs/dbraw/zinc/33/45/29/855334529.db2.gz XMFMSJPAFOGCJE-UHFFFAOYSA-N -1 0 403.275 4.386 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)c1 ZINC000326205429 855407134 /nfs/dbraw/zinc/40/71/34/855407134.db2.gz MSRYJGBFXSYROM-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410340589 855938230 /nfs/dbraw/zinc/93/82/30/855938230.db2.gz NCCFIOYQAQCZID-LBPRGKRZSA-N -1 0 400.426 4.181 20 30 HIEDRM N#Cc1ccccc1COc1cccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426748686 856452215 /nfs/dbraw/zinc/45/22/15/856452215.db2.gz ZHQFTGBPEWXYGN-JOCHJYFZSA-N -1 0 408.404 4.331 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1C#N ZINC000427211174 856714988 /nfs/dbraw/zinc/71/49/88/856714988.db2.gz VKMGZMCTOXIUCO-UHFFFAOYSA-N -1 0 408.414 4.010 20 30 HIEDRM C=CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccccc1 ZINC000427260034 856741588 /nfs/dbraw/zinc/74/15/88/856741588.db2.gz ZPDUXKTUMFOBLK-GOSISDBHSA-N -1 0 413.524 4.242 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427325202 856771567 /nfs/dbraw/zinc/77/15/67/856771567.db2.gz UCQBLMOVKSCXIX-UHFFFAOYSA-N -1 0 418.290 4.247 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)cc1C#N ZINC000428639508 857285257 /nfs/dbraw/zinc/28/52/57/857285257.db2.gz JVGOCWKVFHDRKM-HXUWFJFHSA-N -1 0 401.491 4.465 20 30 HIEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3ccc(-c4ccccc4)cc3)o2)c1 ZINC000430317629 858120376 /nfs/dbraw/zinc/12/03/76/858120376.db2.gz DPTKOKPAUINHKM-UHFFFAOYSA-N -1 0 402.435 4.076 20 30 HIEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3csc4ccc(Cl)cc43)o2)c1 ZINC000430334491 858125466 /nfs/dbraw/zinc/12/54/66/858125466.db2.gz DPNXRVMBKCFSPC-UHFFFAOYSA-N -1 0 416.871 4.277 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1-c1ccc2ncccc2c1 ZINC000430605064 858235160 /nfs/dbraw/zinc/23/51/60/858235160.db2.gz PMTDLBSBYAWRKL-INIZCTEOSA-N -1 0 416.510 4.368 20 30 HIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000431195122 858498534 /nfs/dbraw/zinc/49/85/34/858498534.db2.gz WSGALNNKOLQCEV-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ncccc3C(F)(F)F)c2)c1 ZINC000431663331 858722321 /nfs/dbraw/zinc/72/23/21/858722321.db2.gz UCHWMTBNNZUHDJ-UHFFFAOYSA-N -1 0 410.351 4.451 20 30 HIEDRM N#CCCn1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)c(-c2ccncc2)n1 ZINC000432701596 859303839 /nfs/dbraw/zinc/30/38/39/859303839.db2.gz ABBGFCAPAFIDTO-FOWTUZBSSA-N -1 0 415.478 4.484 20 30 HIEDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432778169 859356073 /nfs/dbraw/zinc/35/60/73/859356073.db2.gz XMPQCJBLCNHRFY-UHFFFAOYSA-N -1 0 417.231 4.031 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)cc1C(F)(F)F ZINC000433170809 859551785 /nfs/dbraw/zinc/55/17/85/859551785.db2.gz ZRXGXIAGZUGKKK-UHFFFAOYSA-N -1 0 411.336 4.172 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)cc1C#N ZINC000434368786 860316975 /nfs/dbraw/zinc/31/69/75/860316975.db2.gz HLUUWYGKQWENFE-VIFPVBQESA-N -1 0 408.310 4.447 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)cnn1-c1cccc(C#N)c1 ZINC000434627752 860438140 /nfs/dbraw/zinc/43/81/40/860438140.db2.gz BYMJITRMBMQFIX-UHFFFAOYSA-N -1 0 424.526 4.123 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1C(F)(F)F ZINC000435197448 860691592 /nfs/dbraw/zinc/69/15/92/860691592.db2.gz JJBSHMQXSIXCLM-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435200090 860692263 /nfs/dbraw/zinc/69/22/63/860692263.db2.gz FGMVXXJOPXMRMI-LBPRGKRZSA-N -1 0 400.426 4.181 20 30 HIEDRM CCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000435339212 860748205 /nfs/dbraw/zinc/74/82/05/860748205.db2.gz QGUPRDWMNWRSQQ-FOWTUZBSSA-N -1 0 401.466 4.488 20 30 HIEDRM CC(=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339226 860749014 /nfs/dbraw/zinc/74/90/14/860749014.db2.gz QMBQXIGNXQWINV-JLHYYAGUSA-N -1 0 404.857 4.416 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2C(F)(F)F)C(F)(F)F)s1 ZINC000435423027 860795736 /nfs/dbraw/zinc/79/57/36/860795736.db2.gz OMNMUTIELPGLQU-GFCCVEGCSA-N -1 0 414.352 4.220 20 30 HIEDRM COCCc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2)cc1 ZINC000435487959 860818010 /nfs/dbraw/zinc/81/80/10/860818010.db2.gz XCYBPMKKXUJZNB-UHFFFAOYSA-N -1 0 414.508 4.402 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)sc1SCC#N ZINC000435715297 860999446 /nfs/dbraw/zinc/99/94/46/860999446.db2.gz PJQBYQSSYSTPNI-UHFFFAOYSA-N -1 0 412.320 4.314 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)n(-c3ccccc3)n2)n1 ZINC000435742322 861023973 /nfs/dbraw/zinc/02/39/73/861023973.db2.gz NFRLHPVOKDOPRY-OAHLLOKOSA-N -1 0 408.483 4.119 20 30 HIEDRM C=C[C@](C)(CC)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000467855491 881705048 /nfs/dbraw/zinc/70/50/48/881705048.db2.gz NHNZYYZORJERBO-OAQYLSRUSA-N -1 0 402.516 4.345 20 30 HIEDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438767700 864263003 /nfs/dbraw/zinc/26/30/03/864263003.db2.gz WVPPGWDUFMMQCG-UHFFFAOYSA-N -1 0 412.389 4.199 20 30 HIEDRM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)ccc2n1 ZINC000438768183 864263096 /nfs/dbraw/zinc/26/30/96/864263096.db2.gz YJCMKULQWIBCPT-UHFFFAOYSA-N -1 0 408.405 4.308 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)cc1Br ZINC000438796540 864287800 /nfs/dbraw/zinc/28/78/00/864287800.db2.gz YOAIBSNZZAWZOB-UHFFFAOYSA-N -1 0 409.305 4.241 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)c1C#N ZINC000440814531 865931134 /nfs/dbraw/zinc/93/11/34/865931134.db2.gz DMMFPRLKPPNOEU-HHHXNRCGSA-N -1 0 416.568 4.249 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2cccc(Br)c2)c2c1CCC2)c1ccccn1 ZINC000442658548 867597233 /nfs/dbraw/zinc/59/72/33/867597233.db2.gz PFVMJFQMLODAFU-INIZCTEOSA-N -1 0 407.271 4.009 20 30 HIEDRM Cc1cc(C(C#N)=C([O-])c2ccc(Oc3cccc(Cl)c3Cl)nn2)nc(C)n1 ZINC000442664031 867601515 /nfs/dbraw/zinc/60/15/15/867601515.db2.gz YNPOBSAQAWVAKE-LBPRGKRZSA-N -1 0 414.252 4.473 20 30 HIEDRM N#CC(=C([O-])c1cccc(C(=O)N2CCCC2)n1)c1nc2cc(Cl)ccc2s1 ZINC000442673865 867609406 /nfs/dbraw/zinc/60/94/06/867609406.db2.gz WFCPIKZSTYDLEL-CYBMUJFWSA-N -1 0 410.886 4.071 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442816632 867684533 /nfs/dbraw/zinc/68/45/33/867684533.db2.gz LAFULQSLQWENIF-NSHDSACASA-N -1 0 401.435 4.295 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1[O-] ZINC000442827255 867689409 /nfs/dbraw/zinc/68/94/09/867689409.db2.gz NURNSQOGPHECPT-UHFFFAOYSA-N -1 0 407.861 4.154 20 30 HIEDRM CC(C)(C)CNC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000442857185 867700680 /nfs/dbraw/zinc/70/06/80/867700680.db2.gz PICDAVXMKDPBMV-GOSISDBHSA-N -1 0 418.522 4.471 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2nc(Cc3ccccc3Br)cs2)cc1[O-] ZINC000443135646 867835296 /nfs/dbraw/zinc/83/52/96/867835296.db2.gz YBKVOHJIXVFEBV-UHFFFAOYSA-N -1 0 414.284 4.326 20 30 HIEDRM Cc1cccc2sc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)nc21 ZINC000443383352 867944564 /nfs/dbraw/zinc/94/45/64/867944564.db2.gz JPSXGRMHGJDCFK-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)n[nH]2)s1 ZINC000443411642 867994887 /nfs/dbraw/zinc/99/48/87/867994887.db2.gz FPIRTVUFEJEYGW-UHFFFAOYSA-N -1 0 412.418 4.138 20 30 HIEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C1CC1 ZINC000443416487 867999606 /nfs/dbraw/zinc/99/96/06/867999606.db2.gz KPGXKMRZEBLNRI-LLVKDONJSA-N -1 0 412.437 4.423 20 30 HIEDRM Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)n[nH]2)s1 ZINC000444420245 868821499 /nfs/dbraw/zinc/82/14/99/868821499.db2.gz QNRRXISDIJUFBD-UHFFFAOYSA-N -1 0 412.418 4.138 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1cc(C)ccc1C ZINC000447009185 870890034 /nfs/dbraw/zinc/89/00/34/870890034.db2.gz YCNOJFSHYRJMJU-UHFFFAOYSA-N -1 0 400.891 4.123 20 30 HIEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)ccc1C(F)(F)F ZINC000447787510 871721251 /nfs/dbraw/zinc/72/12/51/871721251.db2.gz QMNJLMFZULNALC-UHFFFAOYSA-N -1 0 424.322 4.405 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c(C(F)(F)F)c1 ZINC000460833115 873720768 /nfs/dbraw/zinc/72/07/68/873720768.db2.gz DLHAJBJWLIXQBX-UHFFFAOYSA-N -1 0 408.323 4.483 20 30 HIEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)CC3(C(=O)[O-])CCCCCC3)ccc21 ZINC000468831386 882880691 /nfs/dbraw/zinc/88/06/91/882880691.db2.gz FKNQYXKENPBZCL-UHFFFAOYSA-N -1 0 411.502 4.023 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1sccc1Br ZINC000462101082 875210302 /nfs/dbraw/zinc/21/03/02/875210302.db2.gz IJRGFTGBLNBDOR-UHFFFAOYSA-N -1 0 400.323 4.005 20 30 HIEDRM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464422192 877632369 /nfs/dbraw/zinc/63/23/69/877632369.db2.gz XQHXOVJXRWDPCK-LBPRGKRZSA-N -1 0 406.314 4.363 20 30 HIEDRM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464423728 877632432 /nfs/dbraw/zinc/63/24/32/877632432.db2.gz DWAXMHGEIJVOSH-CQSZACIVSA-N -1 0 400.360 4.093 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc2cnccc21 ZINC000464467272 877689051 /nfs/dbraw/zinc/68/90/51/877689051.db2.gz MSIKQPGRWCITQF-MRXNPFEDSA-N -1 0 422.370 4.028 20 30 HIEDRM CC#CCCCC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000466779396 880558786 /nfs/dbraw/zinc/55/87/86/880558786.db2.gz ZPKWOFARSHUUNF-UHFFFAOYSA-N -1 0 408.882 4.412 20 30 HIEDRM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000471114564 885650675 /nfs/dbraw/zinc/65/06/75/885650675.db2.gz VRPMNILFSWABHZ-OAHLLOKOSA-N -1 0 423.450 4.407 20 30 HIEDRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cn2)cc1C ZINC000471116037 885652310 /nfs/dbraw/zinc/65/23/10/885652310.db2.gz KVBVUWPVUPLSGH-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000471564416 886273142 /nfs/dbraw/zinc/27/31/42/886273142.db2.gz FBHOQZQVSWHIQB-CQSZACIVSA-N -1 0 400.891 4.127 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000471934569 886730992 /nfs/dbraw/zinc/73/09/92/886730992.db2.gz XMGARCLEMHBGGI-UHFFFAOYSA-N -1 0 419.222 4.281 20 30 HIEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)nc1C ZINC000504236429 913106830 /nfs/dbraw/zinc/10/68/30/913106830.db2.gz RHOBFUGYFHSGED-UHFFFAOYSA-N -1 0 416.890 4.330 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)s[n-]1 ZINC000472268922 887085041 /nfs/dbraw/zinc/08/50/41/887085041.db2.gz LARSKZLNUKPIBU-UHFFFAOYSA-N -1 0 422.491 4.293 20 30 HIEDRM CCn1cc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)nc1C ZINC000504259267 913123680 /nfs/dbraw/zinc/12/36/80/913123680.db2.gz HACULRNFXNHKTQ-SFHVURJKSA-N -1 0 414.918 4.321 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1ccc(OC(C)C)cc1 ZINC000474420263 889284136 /nfs/dbraw/zinc/28/41/36/889284136.db2.gz DSCNQMLCGNEIHS-QGZVFWFLSA-N -1 0 409.515 4.433 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cn1 ZINC000475817901 890751757 /nfs/dbraw/zinc/75/17/57/890751757.db2.gz IYHQJBUGEQVODI-UHFFFAOYSA-N -1 0 409.467 4.058 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c2ccccc12 ZINC000476570449 891491232 /nfs/dbraw/zinc/49/12/32/891491232.db2.gz TXGKQYPSJOFCQV-UHFFFAOYSA-N -1 0 423.494 4.258 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1C#N ZINC000476770667 891744476 /nfs/dbraw/zinc/74/44/76/891744476.db2.gz YJNJBJODVUHVMK-UHFFFAOYSA-N -1 0 409.442 4.351 20 30 HIEDRM C=C(C)[C@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1)c1ccc(F)c(F)c1 ZINC000477732343 892831093 /nfs/dbraw/zinc/83/10/93/892831093.db2.gz SDPLAGCQJDTIRB-INIZCTEOSA-N -1 0 404.442 4.134 20 30 HIEDRM N#CC(=C([O-])c1ccc(F)c(I)c1)c1nc2ccccc2o1 ZINC000477867712 892926797 /nfs/dbraw/zinc/92/67/97/892926797.db2.gz ZCANKEPACBHSIK-SNVBAGLBSA-N -1 0 406.154 4.062 20 30 HIEDRM Cn1nc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000478098568 893265028 /nfs/dbraw/zinc/26/50/28/893265028.db2.gz WXYVSUFVGRPXNR-JTQLQIEISA-N -1 0 422.253 4.249 20 30 HIEDRM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccn2)C1 ZINC000478536241 893837322 /nfs/dbraw/zinc/83/73/22/893837322.db2.gz JINRIVPDMLNAFQ-DNVCBOLYSA-N -1 0 413.506 4.413 20 30 HIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000478832201 894109760 /nfs/dbraw/zinc/10/97/60/894109760.db2.gz XZMAOQWLXLWPNQ-UHFFFAOYSA-N -1 0 423.387 4.006 20 30 HIEDRM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000479422264 894734180 /nfs/dbraw/zinc/73/41/80/894734180.db2.gz LMMYYLYSLHZCMX-UHFFFAOYSA-N -1 0 413.833 4.029 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)c1 ZINC000479499183 894816689 /nfs/dbraw/zinc/81/66/89/894816689.db2.gz NLMATQZAGHFXTI-UHFFFAOYSA-N -1 0 417.899 4.326 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000480220418 895624738 /nfs/dbraw/zinc/62/47/38/895624738.db2.gz GMNCGPKYXBQGGD-UHFFFAOYSA-N -1 0 420.416 4.126 20 30 HIEDRM Cc1nc(-c2ccc(F)c(F)c2)sc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000480923416 896280336 /nfs/dbraw/zinc/28/03/36/896280336.db2.gz WVSIAAXJGMHAPU-CYBMUJFWSA-N -1 0 413.453 4.205 20 30 HIEDRM Cc1nc(-c2ccc(F)c(F)c2)sc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000480944034 896289537 /nfs/dbraw/zinc/28/95/37/896289537.db2.gz XVRVORLXKRZZFJ-LBPRGKRZSA-N -1 0 409.421 4.467 20 30 HIEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000481370294 896759580 /nfs/dbraw/zinc/75/95/80/896759580.db2.gz CRYBALDGLULEQS-UHFFFAOYSA-N -1 0 416.576 4.385 20 30 HIEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1C ZINC000481586546 896966576 /nfs/dbraw/zinc/96/65/76/896966576.db2.gz LTMYXEIOWOGYLF-CYBMUJFWSA-N -1 0 405.501 4.407 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1Cl ZINC000481976810 897368889 /nfs/dbraw/zinc/36/88/89/897368889.db2.gz BQCPRWQTKRHVCM-LBPRGKRZSA-N -1 0 423.947 4.351 20 30 HIEDRM C=C(C)CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000482145477 897607166 /nfs/dbraw/zinc/60/71/66/897607166.db2.gz YSUIKKVLTGQEHX-UHFFFAOYSA-N -1 0 400.544 4.369 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)nnn1Cc1ccc(F)cc1F ZINC000482561888 898154062 /nfs/dbraw/zinc/15/40/62/898154062.db2.gz VXONWDHTISXHPM-CQSZACIVSA-N -1 0 409.421 4.013 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c1C ZINC000482592934 898193176 /nfs/dbraw/zinc/19/31/76/898193176.db2.gz PMVOFSPCGIEJCL-GFCCVEGCSA-N -1 0 400.341 4.147 20 30 HIEDRM Cc1c(Br)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000483189772 898849268 /nfs/dbraw/zinc/84/92/68/898849268.db2.gz CKXXOLIAHCHUOH-LBPRGKRZSA-N -1 0 411.215 4.099 20 30 HIEDRM Cc1nn(-c2ccccc2)c2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc12 ZINC000483217520 898864131 /nfs/dbraw/zinc/86/41/31/898864131.db2.gz NLRPLNNCAPSALT-SFHVURJKSA-N -1 0 404.433 4.162 20 30 HIEDRM N#CC(=C([O-])c1occc1CS(=O)(=O)c1ccccc1)c1nccc2ccccc21 ZINC000483239514 898882750 /nfs/dbraw/zinc/88/27/50/898882750.db2.gz XZJFUIAOIWNTID-HXUWFJFHSA-N -1 0 416.458 4.292 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1cccc(C#N)c1 ZINC000505707235 914391764 /nfs/dbraw/zinc/39/17/64/914391764.db2.gz VYAZFCVTWBBZDZ-GOSISDBHSA-N -1 0 410.462 4.061 20 30 HIEDRM Cc1cnn(-c2c(C([O-])=C(C#N)c3nc(-c4ccc(C)cc4)cs3)c(C)nn2C)c1 ZINC000495133363 906262463 /nfs/dbraw/zinc/26/24/63/906262463.db2.gz SGVOSLDXHOJHEL-KRWDZBQOSA-N -1 0 416.510 4.145 20 30 HIEDRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000512742127 921300112 /nfs/dbraw/zinc/30/01/12/921300112.db2.gz HNCIYYOQRFHCRM-GFCCVEGCSA-N -1 0 424.931 4.179 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1Br ZINC000498008155 907497947 /nfs/dbraw/zinc/49/79/47/907497947.db2.gz RWKJQDAWJLTAIX-UHFFFAOYSA-N -1 0 408.321 4.252 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc(Br)cc2)n1)c1cnc2ccccc2n1 ZINC000498973076 908364291 /nfs/dbraw/zinc/36/42/91/908364291.db2.gz GKSMLVKASGNVIH-HNNXBMFYSA-N -1 0 418.254 4.068 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000512959048 921437469 /nfs/dbraw/zinc/43/74/69/921437469.db2.gz SFYBUVNDZFYLPW-ZDUSSCGKSA-N -1 0 415.471 4.381 20 30 HIEDRM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000501861136 910890725 /nfs/dbraw/zinc/89/07/25/910890725.db2.gz MXEBWRGTFWIJNC-GOSISDBHSA-N -1 0 401.850 4.330 20 30 HIEDRM COc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(C(F)(F)F)c1 ZINC000506691218 915368171 /nfs/dbraw/zinc/36/81/71/915368171.db2.gz VJYUOVLOJQOHTF-UHFFFAOYSA-N -1 0 403.275 4.071 20 30 HIEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000506721261 915400100 /nfs/dbraw/zinc/40/01/00/915400100.db2.gz YLEAAVJCLHJDHT-UHFFFAOYSA-N -1 0 424.478 4.306 20 30 HIEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000507006233 915817609 /nfs/dbraw/zinc/81/76/09/915817609.db2.gz DMKIDDFHDBBOFE-UHFFFAOYSA-N -1 0 413.886 4.295 20 30 HIEDRM N#Cc1cccc(COc2ccc([N-]S(=O)(=O)c3cncc(Cl)c3)cc2F)c1 ZINC000507014556 915821841 /nfs/dbraw/zinc/82/18/41/915821841.db2.gz XCNDMSUNAQVAMT-UHFFFAOYSA-N -1 0 417.849 4.126 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000507013830 915821912 /nfs/dbraw/zinc/82/19/12/915821912.db2.gz RVASWUJPCALIJX-UHFFFAOYSA-N -1 0 413.886 4.181 20 30 HIEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)o2)c1 ZINC000508177714 916998354 /nfs/dbraw/zinc/99/83/54/916998354.db2.gz DRAAIRCWRHQOPH-UHFFFAOYSA-N -1 0 408.483 4.457 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(-c3ccc(C)s3)c(C)s2)cc1C#N ZINC000508471688 917255892 /nfs/dbraw/zinc/25/58/92/917255892.db2.gz FQBZHABVIPKUKW-UHFFFAOYSA-N -1 0 402.526 4.435 20 30 HIEDRM COc1cc(C)c(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1C(C)C ZINC000509255847 917947197 /nfs/dbraw/zinc/94/71/97/917947197.db2.gz RBDWGBMXRBOSHT-UHFFFAOYSA-N -1 0 402.520 4.111 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000509253699 917947269 /nfs/dbraw/zinc/94/72/69/917947269.db2.gz JCCPBWNQFHUMOZ-UHFFFAOYSA-N -1 0 403.266 4.117 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000509254046 917947657 /nfs/dbraw/zinc/94/76/57/917947657.db2.gz JIRJJCDIMLFHKV-UHFFFAOYSA-N -1 0 418.828 4.343 20 30 HIEDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000509613500 918260259 /nfs/dbraw/zinc/26/02/59/918260259.db2.gz MINMFNHEZOZRAV-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM N#CC(=C([O-])c1ccc(OCC(F)(F)C(F)F)nc1)c1nc2ccccc2s1 ZINC000511720760 920387245 /nfs/dbraw/zinc/38/72/45/920387245.db2.gz CDNDCAYRZUMRHS-LLVKDONJSA-N -1 0 409.364 4.461 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(-c2cccs2)n(-c2ccccc2)n1 ZINC000513667944 921989629 /nfs/dbraw/zinc/98/96/29/921989629.db2.gz XOEXMGWDFJJUJB-INIZCTEOSA-N -1 0 424.489 4.373 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000513670889 921994029 /nfs/dbraw/zinc/99/40/29/921994029.db2.gz CUOCYKZOYJKPNR-IBGZPJMESA-N -1 0 418.460 4.311 20 30 HIEDRM N#Cc1cccc(NC(=O)c2cccc(NC(=O)CC3(CC(=O)[O-])CCCC3)c2)c1 ZINC000515431623 923096488 /nfs/dbraw/zinc/09/64/88/923096488.db2.gz NFRQGRQIPNQDOH-UHFFFAOYSA-N -1 0 405.454 4.174 20 30 HIEDRM Cc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1S(C)(=O)=O ZINC000515546967 923167888 /nfs/dbraw/zinc/16/78/88/923167888.db2.gz JYBTXJMJHKECNV-CYBMUJFWSA-N -1 0 404.900 4.152 20 30 HIEDRM N#CC(=C([O-])c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1nc2ccccc2o1 ZINC000515597702 923206230 /nfs/dbraw/zinc/20/62/30/923206230.db2.gz YSVFQVAOXBNAMR-LJQANCHMSA-N -1 0 420.428 4.076 20 30 HIEDRM N#CC(=C([O-])c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1nc2ccccc2o1 ZINC000515597713 923207385 /nfs/dbraw/zinc/20/73/85/923207385.db2.gz ZIRYRKWVIFTHLB-GCJKJVERSA-N -1 0 423.428 4.260 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3)c2C(C)C)n1 ZINC000516788324 923887415 /nfs/dbraw/zinc/88/74/15/923887415.db2.gz OJSSSBRWLNXRJU-HNNXBMFYSA-N -1 0 408.483 4.119 20 30 HIEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000517434120 924183192 /nfs/dbraw/zinc/18/31/92/924183192.db2.gz LKNVCIIRYDVHKY-CYBMUJFWSA-N -1 0 405.501 4.210 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518241321 927102080 /nfs/dbraw/zinc/10/20/80/927102080.db2.gz CXKARLAOCGSMAL-LLVKDONJSA-N -1 0 411.892 4.443 20 30 HIEDRM N#Cc1ccc(CSCC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)cc1 ZINC000518368544 927224707 /nfs/dbraw/zinc/22/47/07/927224707.db2.gz QWYXWWJZYQMJPB-UHFFFAOYSA-N -1 0 400.916 4.024 20 30 HIEDRM Cn1cc(-c2nc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cs2)cn1 ZINC000518516707 927320631 /nfs/dbraw/zinc/32/06/31/927320631.db2.gz SZHKMCFWXAQQDT-OAHLLOKOSA-N -1 0 416.491 4.029 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000518669676 927419532 /nfs/dbraw/zinc/41/95/32/927419532.db2.gz JXJLXGYSCNNXDT-KRWDZBQOSA-N -1 0 422.437 4.180 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc2cccnc21 ZINC000518810002 927506647 /nfs/dbraw/zinc/50/66/47/927506647.db2.gz ORHBRUKDSCCQEI-OAHLLOKOSA-N -1 0 422.370 4.028 20 30 HIEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000519021396 927697641 /nfs/dbraw/zinc/69/76/41/927697641.db2.gz MWHIYDTVOMTCCQ-MRXNPFEDSA-N -1 0 416.481 4.273 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1C#N ZINC000519058028 927736591 /nfs/dbraw/zinc/73/65/91/927736591.db2.gz BGZWIVHRRZCNRW-UHFFFAOYSA-N -1 0 402.435 4.297 20 30 HIEDRM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000520982699 928903051 /nfs/dbraw/zinc/90/30/51/928903051.db2.gz XMPTWLQBIATBNQ-UHFFFAOYSA-N -1 0 414.508 4.290 20 30 HIEDRM N#CCCSc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000521711517 929380954 /nfs/dbraw/zinc/38/09/54/929380954.db2.gz DBRLOTUESQADBM-UHFFFAOYSA-N -1 0 411.430 4.384 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(F)(F)F)c2)c(F)c1 ZINC000525238602 930099665 /nfs/dbraw/zinc/09/96/65/930099665.db2.gz HLWNJZQGQUCBQH-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM Cn1ncc2cc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cnc21 ZINC000530863981 930842829 /nfs/dbraw/zinc/84/28/29/930842829.db2.gz UXCNWDOOYVJEII-MRJKMQNQSA-N -1 0 417.538 4.383 20 30 HIEDRM CC(C)(C)c1[n-]n(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)c(=O)c1CCC#N ZINC000533911708 932095183 /nfs/dbraw/zinc/09/51/83/932095183.db2.gz FGAWJOFDTDQPTB-SFHVURJKSA-N -1 0 402.564 4.307 20 30 HIEDRM N#CC(=C([O-])c1cncc(N2CCOCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000534582950 932577557 /nfs/dbraw/zinc/57/75/57/932577557.db2.gz MUAPWICCPZWKMN-GOSISDBHSA-N -1 0 424.913 4.185 20 30 HIEDRM N#CCc1ccc(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)cc1 ZINC000536132386 933679490 /nfs/dbraw/zinc/67/94/90/933679490.db2.gz YTSQEGBUQZQUBY-UHFFFAOYSA-N -1 0 415.471 4.006 20 30 HIEDRM C=C(C)Cn1c(-c2sccc2C)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000562755514 945116266 /nfs/dbraw/zinc/11/62/66/945116266.db2.gz HJKSPZSEVZSKIA-UHFFFAOYSA-N -1 0 412.544 4.238 20 30 HIEDRM COc1ccc(-n2nc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc2C)cc1 ZINC000537814076 938382800 /nfs/dbraw/zinc/38/28/00/938382800.db2.gz BTQOIRUYXAQLFW-MRXNPFEDSA-N -1 0 400.360 4.093 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)nn1-c1cccc(F)c1 ZINC000538451364 938625934 /nfs/dbraw/zinc/62/59/34/938625934.db2.gz SMQOSECSJGRVJP-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)cc1C#N ZINC000538684275 938683952 /nfs/dbraw/zinc/68/39/52/938683952.db2.gz FBRPYSAPHURECZ-UHFFFAOYSA-N -1 0 409.442 4.351 20 30 HIEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1 ZINC000539111351 938804383 /nfs/dbraw/zinc/80/43/83/938804383.db2.gz AGSWKOQKMCJYQB-UHFFFAOYSA-N -1 0 409.467 4.334 20 30 HIEDRM CCS(=O)(=O)[N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000541191203 939485073 /nfs/dbraw/zinc/48/50/73/939485073.db2.gz SIIKIICHSPVNQI-VIFPVBQESA-N -1 0 403.266 4.267 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000544099717 940326840 /nfs/dbraw/zinc/32/68/40/940326840.db2.gz ZTSGLQDSPJYOIA-UHFFFAOYSA-N -1 0 408.479 4.051 20 30 HIEDRM N#Cc1ccc(CN(C(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)C2CC2)cc1 ZINC000544634803 940495319 /nfs/dbraw/zinc/49/53/19/940495319.db2.gz WXPLWKAMXNYQGF-UHFFFAOYSA-N -1 0 409.902 4.349 20 30 HIEDRM CC(C)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000546740928 940875034 /nfs/dbraw/zinc/87/50/34/940875034.db2.gz ONVDUFVKSMTFMJ-GOSISDBHSA-N -1 0 410.520 4.482 20 30 HIEDRM Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C([O-])=C(C#N)c3ccncn3)c12 ZINC000546858769 940896869 /nfs/dbraw/zinc/89/68/69/940896869.db2.gz HNEJNZPXYFOOKS-HNNXBMFYSA-N -1 0 423.354 4.497 20 30 HIEDRM CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553097115 941831893 /nfs/dbraw/zinc/83/18/93/941831893.db2.gz ACEVVKSGYMBYIQ-UHFFFAOYSA-N -1 0 414.849 4.071 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(F)c(Br)c(Cl)c2)cc1C#N ZINC000553313807 941865999 /nfs/dbraw/zinc/86/59/99/941865999.db2.gz CFQGQYWVLDYFQJ-UHFFFAOYSA-N -1 0 416.659 4.188 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1OCC(F)F ZINC000555304605 942468589 /nfs/dbraw/zinc/46/85/89/942468589.db2.gz IWLVUQVCOVOJQK-UHFFFAOYSA-N -1 0 420.359 4.330 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000557703457 943263148 /nfs/dbraw/zinc/26/31/48/943263148.db2.gz UMHVGYCCJVWPLD-ZDUSSCGKSA-N -1 0 416.524 4.069 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(C(F)(F)F)cc2)o1 ZINC000557832628 943307302 /nfs/dbraw/zinc/30/73/02/943307302.db2.gz AECUDHYKXHNMPW-GFCCVEGCSA-N -1 0 412.311 4.142 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1ccc(F)cc1 ZINC000558131833 943390719 /nfs/dbraw/zinc/39/07/19/943390719.db2.gz FAYGHFWSEWLNHP-KRWDZBQOSA-N -1 0 403.442 4.328 20 30 HIEDRM N#Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Br)c(Cl)c1 ZINC000558135408 943392417 /nfs/dbraw/zinc/39/24/17/943392417.db2.gz MXPHJKWSCHWWOV-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM CC(C)(C#N)CCS(=O)(=O)[N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000558431994 943558075 /nfs/dbraw/zinc/55/80/75/943558075.db2.gz IWMRADBTSQYEPH-GFCCVEGCSA-N -1 0 418.359 4.048 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)nn2-c2ccccc2)cc1 ZINC000558726918 943633320 /nfs/dbraw/zinc/63/33/20/943633320.db2.gz DLJVPHMZEWRFRA-NRFANRHFSA-N -1 0 423.476 4.445 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)nn2-c2ccccc2)cc1 ZINC000558726920 943633340 /nfs/dbraw/zinc/63/33/40/943633340.db2.gz DLJVPHMZEWRFRA-OAQYLSRUSA-N -1 0 423.476 4.445 20 30 HIEDRM CCC(CC)CN(CCC#N)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000559581451 944010908 /nfs/dbraw/zinc/01/09/08/944010908.db2.gz GJKDSEWHKNDHHV-UHFFFAOYSA-N -1 0 408.424 4.389 20 30 HIEDRM C=CCN(C(=O)Nc1cccc(OC(F)(F)F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000559586984 944014032 /nfs/dbraw/zinc/01/40/32/944014032.db2.gz XKAJVQZQTMXRHI-QGZVFWFLSA-N -1 0 408.376 4.301 20 30 HIEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)s1 ZINC000562264427 945050400 /nfs/dbraw/zinc/05/04/00/945050400.db2.gz WWIOWTFEZJHDSN-UHFFFAOYSA-N -1 0 422.329 4.294 20 30 HIEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)c1 ZINC000567256602 946280476 /nfs/dbraw/zinc/28/04/76/946280476.db2.gz QQABUXKCYWRRCZ-UHFFFAOYSA-N -1 0 414.712 4.122 20 30 HIEDRM CCCCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000571251382 947572155 /nfs/dbraw/zinc/57/21/55/947572155.db2.gz WZQQMUAADFIDRQ-INIZCTEOSA-N -1 0 410.417 4.164 20 30 HIEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(-c3ccc(Cl)cc3Cl)nc2)c1 ZINC000571817267 947794606 /nfs/dbraw/zinc/79/46/06/947794606.db2.gz VSHUYPDPLAEHGD-UHFFFAOYSA-N -1 0 405.266 4.123 20 30 HIEDRM CC(C)N(C(=O)Nc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000572581151 947952781 /nfs/dbraw/zinc/95/27/81/947952781.db2.gz CSSWCTPCXNQYKY-KRWDZBQOSA-N -1 0 416.275 4.389 20 30 HIEDRM Cc1c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c2ccccc2n1C ZINC000573945165 948330606 /nfs/dbraw/zinc/33/06/06/948330606.db2.gz SNOQAQAWUIZBLD-UHFFFAOYSA-N -1 0 418.478 4.347 20 30 HIEDRM C=CCN(C(=O)Nc1cccc(-c2nc(C)co2)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000574592358 948484951 /nfs/dbraw/zinc/48/49/51/948484951.db2.gz ZLIPVNKJUVVDID-HXUWFJFHSA-N -1 0 405.454 4.366 20 30 HIEDRM CCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000435955259 861217498 /nfs/dbraw/zinc/21/74/98/861217498.db2.gz PWVKLENMYUTVIA-GFCCVEGCSA-N -1 0 423.460 4.493 20 30 HIEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000007381583 845320316 /nfs/dbraw/zinc/32/03/16/845320316.db2.gz WVSNJISALRXJLG-KRWDZBQOSA-N -1 0 401.875 4.401 20 30 HIEDRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccsc3)cc2)cc1 ZINC000013362292 845915292 /nfs/dbraw/zinc/91/52/92/845915292.db2.gz YIFQZBNQXAPCDZ-BCTAIJSYSA-N -1 0 413.476 4.143 20 30 HIEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016121110 846126473 /nfs/dbraw/zinc/12/64/73/846126473.db2.gz NRIZFGVKALGBMS-UHFFFAOYSA-N -1 0 418.824 4.075 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3F)cc2[n-]c1=S ZINC000018015214 846283465 /nfs/dbraw/zinc/28/34/65/846283465.db2.gz MAFMGWHIJWWANB-NSHDSACASA-N -1 0 401.438 4.014 20 30 HIEDRM Cn1c2ccccc2c2cc(/C([O-])=N/c3nc(CN4CCOCC4)cs3)sc21 ZINC000021128077 846406490 /nfs/dbraw/zinc/40/64/90/846406490.db2.gz VFAXMAIPGGOUAJ-UHFFFAOYSA-N -1 0 412.540 4.318 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(-c3cccc(Cl)c3)n2)n1 ZINC000026681875 847185050 /nfs/dbraw/zinc/18/50/50/847185050.db2.gz OUBVSGZRPQDSBP-CYBMUJFWSA-N -1 0 417.899 4.262 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436625223 861874364 /nfs/dbraw/zinc/87/43/64/861874364.db2.gz CMEVLKHJPZUESW-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436634481 861877008 /nfs/dbraw/zinc/87/70/08/861877008.db2.gz OZWKNEYLLPNMTK-UHFFFAOYSA-N -1 0 405.366 4.225 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3OCC(=O)N(C)C)n2)cc1 ZINC000041512137 848223202 /nfs/dbraw/zinc/22/32/02/848223202.db2.gz YBGWDABNRRHNNG-GOSISDBHSA-N -1 0 419.506 4.076 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3SCC(N)=O)n2)cc1 ZINC000041511792 848223986 /nfs/dbraw/zinc/22/39/86/848223986.db2.gz SWOQDYKNZSAGBM-INIZCTEOSA-N -1 0 407.520 4.186 20 30 HIEDRM CC(=O)Nc1cc(NC(C)=O)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000041537429 848228775 /nfs/dbraw/zinc/22/87/75/848228775.db2.gz OYRKWIASJWRNLJ-IBGZPJMESA-N -1 0 418.478 4.217 20 30 HIEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 ZINC000041548817 848229747 /nfs/dbraw/zinc/22/97/47/848229747.db2.gz XZNKPZYGYJHYQZ-OAHLLOKOSA-N -1 0 417.412 4.441 20 30 HIEDRM CCCCCn1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c2ccccc2c1=O ZINC000041547675 848229919 /nfs/dbraw/zinc/22/99/19/848229919.db2.gz UQZRGPLAIMNKIB-QGZVFWFLSA-N -1 0 400.438 4.218 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000041548078 848229935 /nfs/dbraw/zinc/22/99/35/848229935.db2.gz JZRUTLOYNMKFJD-CYBMUJFWSA-N -1 0 418.478 4.124 20 30 HIEDRM N#Cc1ccc(CN2CCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)cc1 ZINC000436749788 861930027 /nfs/dbraw/zinc/93/00/27/861930027.db2.gz CGACPILMUBLFRH-UHFFFAOYSA-N -1 0 405.885 4.028 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2)cc1C(F)(F)F ZINC000048514016 849236674 /nfs/dbraw/zinc/23/66/74/849236674.db2.gz JYOYPIKFAHNHHI-UHFFFAOYSA-N -1 0 412.389 4.081 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccccc2F)c2c1CCC2)c1ccc(C(F)(F)F)cn1 ZINC000048829535 849272923 /nfs/dbraw/zinc/27/29/23/849272923.db2.gz TWCYMDKFMLLMJR-AWEZNQCLSA-N -1 0 414.362 4.404 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393074 849308814 /nfs/dbraw/zinc/30/88/14/849308814.db2.gz NQFSZFSVIZXJIR-INIZCTEOSA-N -1 0 414.400 4.087 20 30 HIEDRM N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)c([O-])c(Cl)c3)s2)cc1 ZINC000436886849 862063415 /nfs/dbraw/zinc/06/34/15/862063415.db2.gz UPABOLXYRPAHIS-UHFFFAOYSA-N -1 0 420.878 4.452 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c(C(F)(F)F)c1 ZINC000055546734 850049857 /nfs/dbraw/zinc/04/98/57/850049857.db2.gz LKBBFIKNVPMDPL-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1C ZINC000055591843 850067037 /nfs/dbraw/zinc/06/70/37/850067037.db2.gz BMWKPJFMAZBRAA-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 ZINC000055652353 850097587 /nfs/dbraw/zinc/09/75/87/850097587.db2.gz DEEQEERZNNMIAA-UHFFFAOYSA-N -1 0 411.508 4.235 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000055664278 850104582 /nfs/dbraw/zinc/10/45/82/850104582.db2.gz CZBCVTSCNIRZND-UHFFFAOYSA-N -1 0 414.433 4.411 20 30 HIEDRM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3c[nH]c4ncccc34)c2)cc1 ZINC000057118749 850550688 /nfs/dbraw/zinc/55/06/88/850550688.db2.gz SJADVWFTSLVSBV-UHFFFAOYSA-N -1 0 418.478 4.009 20 30 HIEDRM O=C([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000060489315 851117591 /nfs/dbraw/zinc/11/75/91/851117591.db2.gz VOVSZTVFEVAABP-UHFFFAOYSA-N -1 0 408.195 4.161 20 30 HIEDRM Cc1ccc(-c2ncc(C(=O)[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])s2)c(C)c1 ZINC000061066987 851286569 /nfs/dbraw/zinc/28/65/69/851286569.db2.gz AHYWJWREWVXDBP-UHFFFAOYSA-N -1 0 417.468 4.029 20 30 HIEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000064101809 851828189 /nfs/dbraw/zinc/82/81/89/851828189.db2.gz YFBOHNMOLXNKMD-AWEZNQCLSA-N -1 0 404.900 4.233 20 30 HIEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C(F)(F)F)c1 ZINC000064375116 851881564 /nfs/dbraw/zinc/88/15/64/851881564.db2.gz LKDPWGPJZFRXKF-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC2(c3cccc(Cl)c3)CCCC2)cc1C#N ZINC000065681879 852217252 /nfs/dbraw/zinc/21/72/52/852217252.db2.gz SVJSSUBMKCQOSE-UHFFFAOYSA-N -1 0 401.919 4.276 20 30 HIEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066004921 852352632 /nfs/dbraw/zinc/35/26/32/852352632.db2.gz IVKPTVDCMYRFIW-CQSZACIVSA-N -1 0 403.423 4.095 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cc(CC4CCCCC4)[nH]n3)cc2[n-]c1=S ZINC000108234341 852830841 /nfs/dbraw/zinc/83/08/41/852830841.db2.gz GCBRDBSEWOGOKX-UHFFFAOYSA-N -1 0 423.542 4.343 20 30 HIEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2csc(-c3ccccc3OC)n2)cc1 ZINC000138696209 853394003 /nfs/dbraw/zinc/39/40/03/853394003.db2.gz TWBLWXPHSQVHIO-KRWDZBQOSA-N -1 0 405.479 4.342 20 30 HIEDRM CCN(CC)c1ccc2cc(C(=O)/C=C\c3ccc([O-])c([N+](=O)[O-])c3)c(=O)oc2c1 ZINC000215054634 853832011 /nfs/dbraw/zinc/83/20/11/853832011.db2.gz ZOYLGHDRSLIKJG-UITAMQMPSA-N -1 0 408.410 4.149 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)c(Cl)c1Cl ZINC000437310388 862573709 /nfs/dbraw/zinc/57/37/09/862573709.db2.gz SBDIBBSSZHSYDB-UHFFFAOYSA-N -1 0 424.356 4.183 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000303266567 854841887 /nfs/dbraw/zinc/84/18/87/854841887.db2.gz GKCGRBMILWTOGK-SNVBAGLBSA-N -1 0 416.496 4.248 20 30 HIEDRM Cc1cc(F)ccc1-c1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1F ZINC000303704905 855143055 /nfs/dbraw/zinc/14/30/55/855143055.db2.gz SICXACCQUIGXCL-FQEVSTJZSA-N -1 0 414.452 4.194 20 30 HIEDRM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000317216151 855380919 /nfs/dbraw/zinc/38/09/19/855380919.db2.gz SFLJKTGEQZCTDF-UHFFFAOYSA-N -1 0 403.660 4.223 20 30 HIEDRM C=CC[C@H](CC)NC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC)cc2)c1 ZINC000410146401 855837796 /nfs/dbraw/zinc/83/77/96/855837796.db2.gz XNSDRUQHLLMFSX-SFHVURJKSA-N -1 0 416.543 4.143 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)ccc1C(F)(F)F ZINC000410329797 855932320 /nfs/dbraw/zinc/93/23/20/855932320.db2.gz UNPYHIXEVMXDLO-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1C ZINC000426184465 856162445 /nfs/dbraw/zinc/16/24/45/856162445.db2.gz UVOUYRBOTUCLHY-LLVKDONJSA-N -1 0 415.421 4.310 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCCC2)cc1C#N ZINC000427102595 856637380 /nfs/dbraw/zinc/63/73/80/856637380.db2.gz HDUWGYRLTHAOAG-UHFFFAOYSA-N -1 0 424.448 4.072 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3csc(C(F)(F)F)n3)cc2)cc1C#N ZINC000427344753 856782960 /nfs/dbraw/zinc/78/29/60/856782960.db2.gz BIIGJHQTCDZODF-UHFFFAOYSA-N -1 0 424.429 4.205 20 30 HIEDRM CCOc1ccc(-c2nc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cs2)cc1 ZINC000429596972 857778751 /nfs/dbraw/zinc/77/87/51/857778751.db2.gz LJTMPAUWRVQJER-OAHLLOKOSA-N -1 0 403.467 4.279 20 30 HIEDRM CCc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)s1 ZINC000431330078 858568592 /nfs/dbraw/zinc/56/85/92/858568592.db2.gz UZHAQPHUMUMUTK-UHFFFAOYSA-N -1 0 422.582 4.127 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccc(Br)cc3)n2)n1 ZINC000432212020 859049935 /nfs/dbraw/zinc/04/99/35/859049935.db2.gz DDAUZJNRBAYKOR-CQSZACIVSA-N -1 0 401.289 4.198 20 30 HIEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 ZINC000433504847 859740369 /nfs/dbraw/zinc/74/03/69/859740369.db2.gz AZZIVOCJOLPBIP-UHFFFAOYSA-N -1 0 417.487 4.151 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1C#N ZINC000435139416 860661031 /nfs/dbraw/zinc/66/10/31/860661031.db2.gz CWHNTMHMJLGARH-UHFFFAOYSA-N -1 0 409.389 4.037 20 30 HIEDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435174943 860678794 /nfs/dbraw/zinc/67/87/94/860678794.db2.gz XMGXTMPCSDTXCL-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1C#N ZINC000467838869 881675865 /nfs/dbraw/zinc/67/58/65/881675865.db2.gz LITADRFDJJWGSE-UMSPYCQHSA-N -1 0 408.310 4.364 20 30 HIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000438766637 864262572 /nfs/dbraw/zinc/26/25/72/864262572.db2.gz XYBIABROAOCYSQ-UHFFFAOYSA-N -1 0 401.513 4.275 20 30 HIEDRM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])cc2s1 ZINC000438779329 864272710 /nfs/dbraw/zinc/27/27/10/864272710.db2.gz OCUTZLLDJQKDIL-UHFFFAOYSA-N -1 0 416.484 4.174 20 30 HIEDRM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1 ZINC000438799815 864290813 /nfs/dbraw/zinc/29/08/13/864290813.db2.gz BQALSJRSNOABMO-UHFFFAOYSA-N -1 0 421.478 4.385 20 30 HIEDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)c2)n1 ZINC000467935590 881808007 /nfs/dbraw/zinc/80/80/07/881808007.db2.gz PGLXPIYZNUZEIC-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cc1 ZINC000440300719 865559894 /nfs/dbraw/zinc/55/98/94/865559894.db2.gz BJACDAXJQAIQBQ-UHFFFAOYSA-N -1 0 400.887 4.210 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1F ZINC000442685077 867617988 /nfs/dbraw/zinc/61/79/88/867617988.db2.gz YDYKUJADJQCOCW-LBPRGKRZSA-N -1 0 424.386 4.204 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)c(F)c2C)n1 ZINC000443523004 868082058 /nfs/dbraw/zinc/08/20/58/868082058.db2.gz QWKMMJCWEHIKKL-SNVBAGLBSA-N -1 0 400.353 4.276 20 30 HIEDRM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000443530225 868088943 /nfs/dbraw/zinc/08/89/43/868088943.db2.gz IMDNEZZQZZRUNO-HNNXBMFYSA-N -1 0 422.466 4.440 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000446822446 870737815 /nfs/dbraw/zinc/73/78/15/870737815.db2.gz WMPBITNRSIQDIR-UHFFFAOYSA-N -1 0 400.287 4.013 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)cc1Cl ZINC000447275500 871167379 /nfs/dbraw/zinc/16/73/79/871167379.db2.gz SWQMQSZGWPNIBL-UHFFFAOYSA-N -1 0 421.812 4.478 20 30 HIEDRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000447329234 871220912 /nfs/dbraw/zinc/22/09/12/871220912.db2.gz INCVICPNMOHKRC-UHFFFAOYSA-N -1 0 423.260 4.093 20 30 HIEDRM N#Cc1ccc(C2=CCN(C(=O)c3nn(-c4ccc(Cl)cc4)cc3[O-])CC2)cc1 ZINC000447560880 871450090 /nfs/dbraw/zinc/45/00/90/871450090.db2.gz GARDNNHWCKAIEK-UHFFFAOYSA-N -1 0 404.857 4.032 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2CN(C)c2ccccc2)cc1C#N ZINC000447704615 871647448 /nfs/dbraw/zinc/64/74/48/871647448.db2.gz RNOQTVNLNBOPKZ-UHFFFAOYSA-N -1 0 404.495 4.269 20 30 HIEDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1OC ZINC000447778869 871708937 /nfs/dbraw/zinc/70/89/37/871708937.db2.gz REKLLRSNFGIVBL-UHFFFAOYSA-N -1 0 412.920 4.164 20 30 HIEDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3OC)cc2)s1 ZINC000460752388 873590475 /nfs/dbraw/zinc/59/04/75/873590475.db2.gz FGGNGMQRMBTYEY-UHFFFAOYSA-N -1 0 415.496 4.179 20 30 HIEDRM COc1ccc([C@@H](Cc2ccccc2)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000461079108 873983318 /nfs/dbraw/zinc/98/33/18/873983318.db2.gz CQUJHAZOJVYANY-HXUWFJFHSA-N -1 0 419.506 4.103 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461116562 874042005 /nfs/dbraw/zinc/04/20/05/874042005.db2.gz MKXZRMHQCMJHNO-UHFFFAOYSA-N -1 0 411.224 4.202 20 30 HIEDRM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1ccc(F)c(C(F)(F)F)c1 ZINC000462104557 875211040 /nfs/dbraw/zinc/21/10/40/875211040.db2.gz RCXCFBCWUNGSQM-UHFFFAOYSA-N -1 0 403.275 4.370 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(COc2cccc(F)c2)c1 ZINC000463523824 876592106 /nfs/dbraw/zinc/59/21/06/876592106.db2.gz ASBAFFFPKWBRDR-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccccc1Cl ZINC000464423888 877635179 /nfs/dbraw/zinc/63/51/79/877635179.db2.gz FNPDJIGGIFRETB-GFCCVEGCSA-N -1 0 419.794 4.387 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464462601 877684246 /nfs/dbraw/zinc/68/42/46/877684246.db2.gz APDDASRQXIFLPQ-HNNXBMFYSA-N -1 0 421.444 4.207 20 30 HIEDRM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464478088 877696815 /nfs/dbraw/zinc/69/68/15/877696815.db2.gz UGJHGYKSOKHGFC-OAHLLOKOSA-N -1 0 407.355 4.300 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](COc2c(C)cccc2C)C(C)(C)C)cc1C#N ZINC000465458853 878889723 /nfs/dbraw/zinc/88/97/23/878889723.db2.gz JWTNCRKYFWEODV-QGZVFWFLSA-N -1 0 413.543 4.221 20 30 HIEDRM CC#CCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000466777859 880557430 /nfs/dbraw/zinc/55/74/30/880557430.db2.gz MTBPMLKZUGENCS-UHFFFAOYSA-N -1 0 420.918 4.282 20 30 HIEDRM N#CC(=C([O-])c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccc(C(F)(F)F)cn1 ZINC000503551689 912619505 /nfs/dbraw/zinc/61/95/05/912619505.db2.gz RFUJOSKQSIYBMV-GFCCVEGCSA-N -1 0 417.368 4.443 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC(C)C)cc1C#N ZINC000469157088 883253442 /nfs/dbraw/zinc/25/34/42/883253442.db2.gz WLAFMWDUANRKFU-HNNXBMFYSA-N -1 0 413.543 4.433 20 30 HIEDRM CCSCc1cc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)no1 ZINC000471360338 885985207 /nfs/dbraw/zinc/98/52/07/885985207.db2.gz MSDKZEIARYHWMJ-UHFFFAOYSA-N -1 0 417.541 4.195 20 30 HIEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cc(Br)cc(Cl)c2[O-])cc1 ZINC000472441801 887292008 /nfs/dbraw/zinc/29/20/08/887292008.db2.gz CPQAUWDCZCQUTR-GFCCVEGCSA-N -1 0 404.651 4.001 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)cc1C#N ZINC000473315834 888061754 /nfs/dbraw/zinc/06/17/54/888061754.db2.gz NVJZSMXYOKLRSK-UHFFFAOYSA-N -1 0 401.919 4.228 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1OC ZINC000473774213 888575136 /nfs/dbraw/zinc/57/51/36/888575136.db2.gz RCDJHKUBYARFNF-UHFFFAOYSA-N -1 0 403.500 4.135 20 30 HIEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473822760 888653822 /nfs/dbraw/zinc/65/38/22/888653822.db2.gz JJHBVIDKJCHBOH-UHFFFAOYSA-N -1 0 415.500 4.125 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1ccc2ncccc2c1 ZINC000474424910 889288560 /nfs/dbraw/zinc/28/85/60/889288560.db2.gz GOIRPNIJNGAWMY-MRXNPFEDSA-N -1 0 402.483 4.194 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000474452611 889319646 /nfs/dbraw/zinc/31/96/46/889319646.db2.gz ZXFNQXWFBPPRPS-OAHLLOKOSA-N -1 0 401.557 4.373 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000475792225 890730798 /nfs/dbraw/zinc/73/07/98/890730798.db2.gz DGUUTRDBBGHBOQ-KRWDZBQOSA-N -1 0 420.918 4.155 20 30 HIEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000475894874 890826611 /nfs/dbraw/zinc/82/66/11/890826611.db2.gz FENODUGNUSDDEC-UHFFFAOYSA-N -1 0 405.385 4.154 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000476225704 891151207 /nfs/dbraw/zinc/15/12/07/891151207.db2.gz MDKNLJIOQYPISL-UHFFFAOYSA-N -1 0 404.250 4.011 20 30 HIEDRM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000476382199 891297081 /nfs/dbraw/zinc/29/70/81/891297081.db2.gz VGZISYUWRBSJLR-UHFFFAOYSA-N -1 0 417.231 4.031 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c(F)c1 ZINC000478538088 893838513 /nfs/dbraw/zinc/83/85/13/893838513.db2.gz XBNUVJPAMKULJI-INIZCTEOSA-N -1 0 410.426 4.234 20 30 HIEDRM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479569134 894863784 /nfs/dbraw/zinc/86/37/84/894863784.db2.gz RMFNNVRXPQRKND-UHFFFAOYSA-N -1 0 414.874 4.248 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cnn1-c1ccccc1Cl ZINC000480202314 895600208 /nfs/dbraw/zinc/60/02/08/895600208.db2.gz WVKCFIMCBHCBFB-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)c(Cl)c1 ZINC000481862765 897230866 /nfs/dbraw/zinc/23/08/66/897230866.db2.gz BDBOWJFRUXPIED-UHFFFAOYSA-N -1 0 400.268 4.382 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1Cl ZINC000481976809 897368846 /nfs/dbraw/zinc/36/88/46/897368846.db2.gz BQCPRWQTKRHVCM-GFCCVEGCSA-N -1 0 423.947 4.351 20 30 HIEDRM C=C(C)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000482113188 897563692 /nfs/dbraw/zinc/56/36/92/897563692.db2.gz KFMOTBBOHCRGSW-UHFFFAOYSA-N -1 0 413.326 4.442 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1nccc2ccccc21 ZINC000483192675 898849927 /nfs/dbraw/zinc/84/99/27/898849927.db2.gz GVDZLILEHVJKOA-QGZVFWFLSA-N -1 0 407.355 4.324 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cnc2ccccc2n1 ZINC000483206767 898859495 /nfs/dbraw/zinc/85/94/95/898859495.db2.gz DEFIBRXBPHYBAC-AWEZNQCLSA-N -1 0 401.407 4.152 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2cnn(-c3ccccc3)c2)n1)c1cnc2ccccc2n1 ZINC000483225951 898869004 /nfs/dbraw/zinc/86/90/04/898869004.db2.gz IWUHBGLYRQPXHH-KRWDZBQOSA-N -1 0 422.473 4.429 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2cnn(-c3ccccc3)c2)n1)c1cnc2ccccc2n1 ZINC000483225954 898869536 /nfs/dbraw/zinc/86/95/36/898869536.db2.gz IWUHBGLYRQPXHH-QGZVFWFLSA-N -1 0 422.473 4.429 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2C(F)(F)F)nn1)c1nccc2ccccc21 ZINC000483226561 898870526 /nfs/dbraw/zinc/87/05/26/898870526.db2.gz JXAXHWFYHJWDSD-OAHLLOKOSA-N -1 0 407.355 4.324 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-c4ncn(C)n4)cc3)n2)cc1 ZINC000505716868 914398609 /nfs/dbraw/zinc/39/86/09/914398609.db2.gz NAQIKQPKTLMJJI-SFHVURJKSA-N -1 0 415.478 4.104 20 30 HIEDRM C=CCOc1ccc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1OC ZINC000486411898 901569966 /nfs/dbraw/zinc/56/99/66/901569966.db2.gz VRQLJUQLZSKKBR-HXUWFJFHSA-N -1 0 419.477 4.087 20 30 HIEDRM Cn1nc(-c2ccc(Cl)s2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000486563481 901708472 /nfs/dbraw/zinc/70/84/72/901708472.db2.gz RREKBQMQEDAGPR-UHFFFAOYSA-N -1 0 413.311 4.128 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2-c2ccccc2)n1 ZINC000488081348 902587765 /nfs/dbraw/zinc/58/77/65/902587765.db2.gz WVKCMJRQIIEKIP-HNNXBMFYSA-N -1 0 408.483 4.254 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2n1C(F)F ZINC000490721268 904192707 /nfs/dbraw/zinc/19/27/07/904192707.db2.gz RRJDCGAVKDPMIX-LBPRGKRZSA-N -1 0 422.351 4.015 20 30 HIEDRM COc1c(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(C)nn1C ZINC000491977112 904746408 /nfs/dbraw/zinc/74/64/08/904746408.db2.gz KBHFLVZKZQMBCH-IGMNZBQBSA-N -1 0 410.543 4.152 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000494681638 905897049 /nfs/dbraw/zinc/89/70/49/905897049.db2.gz UILVHWMCKUEWSU-UHFFFAOYSA-N -1 0 414.405 4.087 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1C ZINC000496224837 906632721 /nfs/dbraw/zinc/63/27/21/906632721.db2.gz IJJUPXVBGPUJJR-YUCKINEMSA-N -1 0 423.538 4.226 20 30 HIEDRM CC(C)(C)c1nc(=NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)s[n-]1 ZINC000497113934 906808142 /nfs/dbraw/zinc/80/81/42/906808142.db2.gz JWWKYXOAULHISO-UHFFFAOYSA-N -1 0 417.966 4.028 20 30 HIEDRM C=CCOc1ccc(CNc2cccc(S(=O)(=O)[N-]c3nccs3)c2)cc1 ZINC000512657381 921276902 /nfs/dbraw/zinc/27/69/02/921276902.db2.gz BWJQGWSIHYQMAP-UHFFFAOYSA-N -1 0 401.513 4.121 20 30 HIEDRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000512964790 921440809 /nfs/dbraw/zinc/44/08/09/921440809.db2.gz VFWIXEAFZFWWJU-FSPWUOQZSA-N -1 0 402.479 4.290 20 30 HIEDRM COc1ccc(-n2cc([O-])c(C(=O)Nc3ccccc3S[C@@H](C)CC#N)n2)cc1 ZINC000500008480 909460119 /nfs/dbraw/zinc/46/01/19/909460119.db2.gz PALMGIKCLXAMIH-AWEZNQCLSA-N -1 0 408.483 4.233 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnn1Cc1ccc(Cl)cc1Cl ZINC000513374784 921747740 /nfs/dbraw/zinc/74/77/40/921747740.db2.gz ACAIDKCFDXILOB-UHFFFAOYSA-N -1 0 421.309 4.219 20 30 HIEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000506644134 915312607 /nfs/dbraw/zinc/31/26/07/915312607.db2.gz AQOCRCZDZCQDDH-AWEZNQCLSA-N -1 0 406.529 4.037 20 30 HIEDRM O=S(=O)([N-]c1cc(F)ccc1OCC(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000506686933 915365137 /nfs/dbraw/zinc/36/51/37/915365137.db2.gz BHSMDZSUYCYLSN-UHFFFAOYSA-N -1 0 421.265 4.124 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506845458 915626013 /nfs/dbraw/zinc/62/60/13/915626013.db2.gz DSZFGSQVVYAYBS-UHFFFAOYSA-N -1 0 419.812 4.237 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(cccc2Br)s1 ZINC000508102059 916918934 /nfs/dbraw/zinc/91/89/34/916918934.db2.gz LAYCMIVZMUSDBE-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000508130906 916949818 /nfs/dbraw/zinc/94/98/18/916949818.db2.gz IMDQOPVLPHMJOO-MRXNPFEDSA-N -1 0 413.808 4.275 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000509382400 918048268 /nfs/dbraw/zinc/04/82/68/918048268.db2.gz CSIMRHGRWGIUDV-UHFFFAOYSA-N -1 0 409.311 4.100 20 30 HIEDRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccn(-c2cccc(F)c2C#N)n1 ZINC000509391355 918058570 /nfs/dbraw/zinc/05/85/70/918058570.db2.gz YWFBYZLEXLMKGF-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(Cc3ccc(C)cc3)n2)n1 ZINC000509851816 918454705 /nfs/dbraw/zinc/45/47/05/918454705.db2.gz IIESRSZBYMOPSS-CQSZACIVSA-N -1 0 411.508 4.166 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1ccccc1Cl ZINC000510310960 918822275 /nfs/dbraw/zinc/82/22/75/918822275.db2.gz POXQDECDLFLLSM-GFCCVEGCSA-N -1 0 405.767 4.133 20 30 HIEDRM Cc1nc(C(=O)N(C)C)ccc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000511752593 920429627 /nfs/dbraw/zinc/42/96/27/920429627.db2.gz DKTHDDHTZHNXSC-INIZCTEOSA-N -1 0 424.913 4.359 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCc2cn3cccc(C)c3n2)n1 ZINC000513673259 921995496 /nfs/dbraw/zinc/99/54/96/921995496.db2.gz ZIQDJBXOBMYNCH-GOSISDBHSA-N -1 0 402.479 4.477 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)cc1Cl ZINC000516221640 923610772 /nfs/dbraw/zinc/61/07/72/923610772.db2.gz OKUNLKFJDHMSTB-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM N#CC(=C([O-])c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2ccccc2o1 ZINC000516264126 923634766 /nfs/dbraw/zinc/63/47/66/923634766.db2.gz FUVZCVQBLRIXRD-IBGZPJMESA-N -1 0 416.458 4.292 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3c(s2)-c2ccccc2OC3)n1 ZINC000516352581 923682295 /nfs/dbraw/zinc/68/22/95/923682295.db2.gz UDPNHLPOCKNMGD-CYBMUJFWSA-N -1 0 410.476 4.431 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(-c3ccccc3Cl)on2)n1 ZINC000517924462 926892252 /nfs/dbraw/zinc/89/22/52/926892252.db2.gz SBTNDCUQUVBAGQ-LLVKDONJSA-N -1 0 401.831 4.118 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c2cccnc12 ZINC000518111875 927025420 /nfs/dbraw/zinc/02/54/20/927025420.db2.gz BCXQDBCUHWVKKF-AWEZNQCLSA-N -1 0 413.524 4.296 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)nnn1-c1cccc(Cl)c1 ZINC000518323061 927188011 /nfs/dbraw/zinc/18/80/11/927188011.db2.gz HGMQQXODQQSNKD-INIZCTEOSA-N -1 0 418.888 4.250 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1C#N ZINC000518734217 927463098 /nfs/dbraw/zinc/46/30/98/927463098.db2.gz BZQDNYWWSYQFPZ-UHFFFAOYSA-N -1 0 402.435 4.297 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccccc1 ZINC000520431299 928560774 /nfs/dbraw/zinc/56/07/74/928560774.db2.gz DWFOGWYXLACRAJ-AWEZNQCLSA-N -1 0 421.432 4.468 20 30 HIEDRM N#Cc1cccc(COc2ccc([N-]S(=O)(=O)c3cc(F)c(F)cc3F)cc2)c1 ZINC000520641541 928695088 /nfs/dbraw/zinc/69/50/88/928695088.db2.gz GPXBQLVKZNDOOM-UHFFFAOYSA-N -1 0 418.396 4.355 20 30 HIEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)c1 ZINC000521852557 929501926 /nfs/dbraw/zinc/50/19/26/929501926.db2.gz PIEVTIFXGWAUQI-UHFFFAOYSA-N -1 0 417.508 4.444 20 30 HIEDRM C=C(C)COc1cc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)ccc1OC ZINC000521935729 929574006 /nfs/dbraw/zinc/57/40/06/929574006.db2.gz ZDFHONISXWRPDZ-YBEGLDIGSA-N -1 0 418.449 4.003 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc3ccccc3s2)cn1 ZINC000524672413 929786123 /nfs/dbraw/zinc/78/61/23/929786123.db2.gz DGTYVGAIFCYWPQ-UHFFFAOYSA-N -1 0 410.455 4.170 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000524725573 929811735 /nfs/dbraw/zinc/81/17/35/929811735.db2.gz AUILLSVESNMHCU-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000525482461 930271619 /nfs/dbraw/zinc/27/16/19/930271619.db2.gz TWPMZMWVVDTBOI-OAHLLOKOSA-N -1 0 423.450 4.407 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)c(F)c1 ZINC000531556072 931101119 /nfs/dbraw/zinc/10/11/19/931101119.db2.gz LVOJWTGVAJODDQ-QGZVFWFLSA-N -1 0 408.426 4.105 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(C)cc2Oc2ccccc2)cc1C#N ZINC000532031649 931291630 /nfs/dbraw/zinc/29/16/30/931291630.db2.gz SIRIFDLBWUXUGI-UHFFFAOYSA-N -1 0 405.479 4.412 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)ccc1Cl ZINC000534497661 932532858 /nfs/dbraw/zinc/53/28/58/932532858.db2.gz NYBHBFFCDICILN-UHFFFAOYSA-N -1 0 407.623 4.053 20 30 HIEDRM COc1cccc(COc2cccc([N-]S(=O)(=O)c3ccccc3C#N)c2C)c1 ZINC000535137075 932955881 /nfs/dbraw/zinc/95/58/81/932955881.db2.gz GPKXSAYJXHSLNU-UHFFFAOYSA-N -1 0 408.479 4.255 20 30 HIEDRM CC(C)(C)c1[n-]n(CC(=O)NCCc2cccc(Cl)c2Cl)c(=O)c1CCC#N ZINC000535360573 933091810 /nfs/dbraw/zinc/09/18/10/933091810.db2.gz XENKQMZCCZVARQ-UHFFFAOYSA-N -1 0 423.344 4.008 20 30 HIEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1C1CC1 ZINC000535684740 933340699 /nfs/dbraw/zinc/34/06/99/933340699.db2.gz BPUMNAXXASADCA-LLVKDONJSA-N -1 0 412.437 4.423 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)sc1C ZINC000540208911 939127521 /nfs/dbraw/zinc/12/75/21/939127521.db2.gz DWYRCFJVMNRCPB-UHFFFAOYSA-N -1 0 411.508 4.290 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000543164903 939983224 /nfs/dbraw/zinc/98/32/24/939983224.db2.gz BVIRQNXSUZXTJQ-UHFFFAOYSA-N -1 0 422.462 4.284 20 30 HIEDRM C[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543962199 940272982 /nfs/dbraw/zinc/27/29/82/940272982.db2.gz VIGGLSSZEPJRBM-OAHLLOKOSA-N -1 0 410.433 4.060 20 30 HIEDRM N#Cc1cccc(NC(=O)c2cccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c2)c1 ZINC000544522728 940470944 /nfs/dbraw/zinc/47/09/44/940470944.db2.gz MACNQRYUDYPWOT-UHFFFAOYSA-N -1 0 411.339 4.186 20 30 HIEDRM N#CC(=C([O-])c1coc(C(N)=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000545449327 940570446 /nfs/dbraw/zinc/57/04/46/940570446.db2.gz RIDRDRCDORQUCU-NSHDSACASA-N -1 0 406.250 4.299 20 30 HIEDRM CC(C)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000546033606 940678339 /nfs/dbraw/zinc/67/83/39/940678339.db2.gz XMYJTLLJCADELL-OAHLLOKOSA-N -1 0 417.437 4.104 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546072465 940691341 /nfs/dbraw/zinc/69/13/41/940691341.db2.gz XFXFYJJFJOMZAC-JTQLQIEISA-N -1 0 401.307 4.237 20 30 HIEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000546155665 940716290 /nfs/dbraw/zinc/71/62/90/940716290.db2.gz PCIQOCHNGFNESY-KGASDJBWSA-N -1 0 421.522 4.283 20 30 HIEDRM N#C[C@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000550710385 941356979 /nfs/dbraw/zinc/35/69/79/941356979.db2.gz RMCYGJROFQZALN-HNNXBMFYSA-N -1 0 405.216 4.018 20 30 HIEDRM COc1ccc(CNc2cc(Br)cc(C(=O)[O-])c2)cc1OCCCC#N ZINC000551420669 941475446 /nfs/dbraw/zinc/47/54/46/941475446.db2.gz KJJWYFYUYNWCEC-UHFFFAOYSA-N -1 0 419.275 4.451 20 30 HIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000552626841 941726747 /nfs/dbraw/zinc/72/67/47/941726747.db2.gz BRWHLLBCCUPPHF-UHFFFAOYSA-N -1 0 404.348 4.013 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@](C)(Cc2ccc(Cl)cc2)C(C)C)cc1C#N ZINC000554629919 942179841 /nfs/dbraw/zinc/17/98/41/942179841.db2.gz XPATVXXLNFOAEW-HXUWFJFHSA-N -1 0 403.935 4.421 20 30 HIEDRM C[C@H](Sc1ccccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1)C(N)=O ZINC000555075921 942377814 /nfs/dbraw/zinc/37/78/14/942377814.db2.gz CPBMLGISCCLNHJ-GXFFZTMASA-N -1 0 415.927 4.406 20 30 HIEDRM N#CCCOCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000558825421 943680517 /nfs/dbraw/zinc/68/05/17/943680517.db2.gz JJZUBUJSRSMIAJ-UHFFFAOYSA-N -1 0 415.298 4.103 20 30 HIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000567527738 946362214 /nfs/dbraw/zinc/36/22/14/946362214.db2.gz UWOFADCOALVTOS-NSHDSACASA-N -1 0 407.405 4.363 20 30 HIEDRM Cc1nccn1-c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000567658631 946397433 /nfs/dbraw/zinc/39/74/33/946397433.db2.gz MBMBJGYALVHJSZ-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccc4ccccc4c3)o2)ccc1Cl ZINC000572088029 947844351 /nfs/dbraw/zinc/84/43/51/947844351.db2.gz FITMKJPOIGLINK-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM N#CCc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2CC#N)c1[O-] ZINC000572682472 947983084 /nfs/dbraw/zinc/98/30/84/947983084.db2.gz GOFSYPQKMYCMFF-UHFFFAOYSA-N -1 0 410.433 4.029 20 30 HIEDRM COc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1CC(=O)[O-] ZINC000013066870 845904253 /nfs/dbraw/zinc/90/42/53/845904253.db2.gz UNQIQIDWOPINDK-SOFGYWHQSA-N -1 0 407.378 4.387 20 30 HIEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000436479854 861819038 /nfs/dbraw/zinc/81/90/38/861819038.db2.gz XWURVPJJTRAYQT-UHFFFAOYSA-N -1 0 419.222 4.226 20 30 HIEDRM N#CC(=C([O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000047359086 849031559 /nfs/dbraw/zinc/03/15/59/849031559.db2.gz AUYOYFHEEAVJAD-SFHVURJKSA-N -1 0 404.433 4.301 20 30 HIEDRM Cc1noc(C)c1COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000048475299 849228151 /nfs/dbraw/zinc/22/81/51/849228151.db2.gz SAAYEMKCAFAHTK-UHFFFAOYSA-N -1 0 414.483 4.181 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCC(=O)Nc2ccccc2F)n1 ZINC000048786756 849268138 /nfs/dbraw/zinc/26/81/38/849268138.db2.gz YTFXWLHDYVVMOO-HNNXBMFYSA-N -1 0 409.442 4.098 20 30 HIEDRM Cc1c(C#N)cccc1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436883853 862062416 /nfs/dbraw/zinc/06/24/16/862062416.db2.gz ITLJCYZQYPTHMW-UHFFFAOYSA-N -1 0 410.065 4.350 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc2ccccc2o1 ZINC000054734028 849915567 /nfs/dbraw/zinc/91/55/67/849915567.db2.gz AXNDOZUOSZAQJN-KRWDZBQOSA-N -1 0 411.396 4.433 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000055591933 850067026 /nfs/dbraw/zinc/06/70/26/850067026.db2.gz AKLPQBVWPUUBDC-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1 ZINC000055591857 850067157 /nfs/dbraw/zinc/06/71/57/850067157.db2.gz SBNNBNHQRDSNSO-UHFFFAOYSA-N -1 0 409.467 4.335 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000055664158 850103041 /nfs/dbraw/zinc/10/30/41/850103041.db2.gz ROOXWUKQVYPMFC-UHFFFAOYSA-N -1 0 418.824 4.075 20 30 HIEDRM N#CCc1ccc(OCc2cccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)c2)cc1 ZINC000056016730 850231137 /nfs/dbraw/zinc/23/11/37/850231137.db2.gz AVXORAJFYUIDTB-UHFFFAOYSA-N -1 0 409.445 4.425 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000057123586 850553446 /nfs/dbraw/zinc/55/34/46/850553446.db2.gz YFIDOBYHNXAYDF-UHFFFAOYSA-N -1 0 408.882 4.094 20 30 HIEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000061067384 851287303 /nfs/dbraw/zinc/28/73/03/851287303.db2.gz CIACVCMPGWUGJU-UHFFFAOYSA-N -1 0 401.406 4.382 20 30 HIEDRM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000066003236 852352549 /nfs/dbraw/zinc/35/25/49/852352549.db2.gz KIXBQGMOZFYGMS-KRWDZBQOSA-N -1 0 401.484 4.053 20 30 HIEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4c(=O)[nH]c(=S)[n-]c4c3)s2)cc1 ZINC000097334599 852602653 /nfs/dbraw/zinc/60/26/53/852602653.db2.gz MPNXTZHCKXAWEE-UHFFFAOYSA-N -1 0 419.491 4.169 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)ns3)cc2[n-]c1=S ZINC000108051567 852819801 /nfs/dbraw/zinc/81/98/01/852819801.db2.gz QXXIDXWYXXESCY-UHFFFAOYSA-N -1 0 421.507 4.016 20 30 HIEDRM CCCCCCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1OC ZINC000254695951 854213527 /nfs/dbraw/zinc/21/35/27/854213527.db2.gz BUMBPZXAUSHHMQ-UHFFFAOYSA-N -1 0 402.442 4.436 20 30 HIEDRM Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000317129712 855380953 /nfs/dbraw/zinc/38/09/53/855380953.db2.gz GBFPOFVXJXKHDS-UHFFFAOYSA-N -1 0 403.660 4.223 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(F)(F)F)c2)s1 ZINC000320206816 855387539 /nfs/dbraw/zinc/38/75/39/855387539.db2.gz PFMXRELGKBSRDH-UHFFFAOYSA-N -1 0 411.224 4.202 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)cc(Br)c2)n1 ZINC000437374256 862678769 /nfs/dbraw/zinc/67/87/69/862678769.db2.gz NEHMYNLRHXFSRT-LLVKDONJSA-N -1 0 413.680 4.226 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(Cc3ccccc3F)s2)cc1 ZINC000409672658 855595584 /nfs/dbraw/zinc/59/55/84/855595584.db2.gz SKBOCZUVIJWDPC-UHFFFAOYSA-N -1 0 413.499 4.423 20 30 HIEDRM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000437392433 862724477 /nfs/dbraw/zinc/72/44/77/862724477.db2.gz YSVFTOWYYROEQR-MRXNPFEDSA-N -1 0 403.467 4.306 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427093909 856631648 /nfs/dbraw/zinc/63/16/48/856631648.db2.gz AQVCLXCZTKLIFX-UHFFFAOYSA-N -1 0 404.451 4.035 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n(-c2ccccc2C(F)(F)F)n1 ZINC000427195228 856705955 /nfs/dbraw/zinc/70/59/55/856705955.db2.gz BPFRGRXYQLKZDV-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM Cc1nc([C@H]2CCCOC2)sc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000429671654 857828390 /nfs/dbraw/zinc/82/83/90/857828390.db2.gz APUMCLQRMLPAGP-LSDHHAIUSA-N -1 0 410.524 4.354 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2c(F)cccc2F)n1)c1nc(-c2ccncc2)cs1 ZINC000429733055 857856391 /nfs/dbraw/zinc/85/63/91/857856391.db2.gz AUVLCFRQVRZQGK-ZDUSSCGKSA-N -1 0 407.405 4.159 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1-c1ccc2ncccc2c1 ZINC000430605065 858234440 /nfs/dbraw/zinc/23/44/40/858234440.db2.gz PMTDLBSBYAWRKL-MRXNPFEDSA-N -1 0 416.510 4.368 20 30 HIEDRM N#CCSc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000431030343 858410445 /nfs/dbraw/zinc/41/04/45/858410445.db2.gz LZHZMRDRKIPKKO-UHFFFAOYSA-N -1 0 423.519 4.355 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3csc([C@@H]4CCCO4)n3)c2)c1 ZINC000431679496 858734933 /nfs/dbraw/zinc/73/49/33/858734933.db2.gz QGRSFQYBXJIYDR-FQEVSTJZSA-N -1 0 418.474 4.345 20 30 HIEDRM N#CC(=C([O-])c1ccc(Br)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000432231120 859058615 /nfs/dbraw/zinc/05/86/15/859058615.db2.gz JWVWCZRRXIHXDZ-NSHDSACASA-N -1 0 402.229 4.457 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000432462272 859175150 /nfs/dbraw/zinc/17/51/50/859175150.db2.gz HISYZQFNNVCNAZ-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)cc1C#N ZINC000433072863 859510859 /nfs/dbraw/zinc/51/08/59/859510859.db2.gz DISGGENORPNLKX-VIFPVBQESA-N -1 0 408.310 4.447 20 30 HIEDRM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)nn2)c1 ZINC000434620057 860434081 /nfs/dbraw/zinc/43/40/81/860434081.db2.gz HWFHTGMCAHEPLG-KRWDZBQOSA-N -1 0 403.442 4.328 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nnn(CC4CCCC4)c3C)n2)cc1 ZINC000434623468 860436449 /nfs/dbraw/zinc/43/64/49/860436449.db2.gz LIFYPUYNJZXXOQ-GOSISDBHSA-N -1 0 421.526 4.399 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cnn1-c1ccccc1F ZINC000435140131 860660797 /nfs/dbraw/zinc/66/07/97/860660797.db2.gz RUWVBUDJNFXIJF-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)s1 ZINC000435479424 860814001 /nfs/dbraw/zinc/81/40/01/860814001.db2.gz KSQMCCUPIBDSOW-UHFFFAOYSA-N -1 0 417.899 4.326 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)s1 ZINC000435501205 860824198 /nfs/dbraw/zinc/82/41/98/860824198.db2.gz KRGPYHKTVCYEHD-UHFFFAOYSA-N -1 0 401.425 4.121 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000435506141 860827691 /nfs/dbraw/zinc/82/76/91/860827691.db2.gz SKOLHCUQMJMSKL-UHFFFAOYSA-N -1 0 400.325 4.458 20 30 HIEDRM Cn1nc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC(F)F ZINC000467841558 881681449 /nfs/dbraw/zinc/68/14/49/881681449.db2.gz VFEPYNSFDMBTBP-LLVKDONJSA-N -1 0 408.817 4.288 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C)c(C)s2)cnn1-c1cccc(C#N)c1 ZINC000438831862 864326233 /nfs/dbraw/zinc/32/62/33/864326233.db2.gz CLAOJHHITVTFPJ-UHFFFAOYSA-N -1 0 400.529 4.176 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cnn1-c1cccc(C#N)c1 ZINC000438835698 864329254 /nfs/dbraw/zinc/32/92/54/864329254.db2.gz DCQZWIAVINFYRG-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccc(C(F)(F)F)c3)cn2)cc1 ZINC000439009382 864461968 /nfs/dbraw/zinc/46/19/68/864461968.db2.gz LJLUZXSOADJIAY-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM CCN(c1ccccc1)c1ccc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000440130078 865374021 /nfs/dbraw/zinc/37/40/21/865374021.db2.gz DBFPEHKCWUCSML-UHFFFAOYSA-N -1 0 418.522 4.469 20 30 HIEDRM CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3C#N)cc2s1 ZINC000441320203 866390261 /nfs/dbraw/zinc/39/02/61/866390261.db2.gz YVCOOJYKKMYSDC-UHFFFAOYSA-N -1 0 414.512 4.016 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C(=O)N4CCCC4)n3)n2)cc1 ZINC000442684646 867618932 /nfs/dbraw/zinc/61/89/32/867618932.db2.gz XXODXUOPRXCIQI-KRWDZBQOSA-N -1 0 416.506 4.240 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442813178 867684542 /nfs/dbraw/zinc/68/45/42/867684542.db2.gz GDOQGJNWZBXZQY-NSHDSACASA-N -1 0 401.435 4.153 20 30 HIEDRM C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000442898606 867727618 /nfs/dbraw/zinc/72/76/18/867727618.db2.gz JJVQGVYELCDFOC-HXUWFJFHSA-N -1 0 406.479 4.176 20 30 HIEDRM C=CCCc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000443417067 868000352 /nfs/dbraw/zinc/00/03/52/868000352.db2.gz KJNXAGQUYFHZRA-UHFFFAOYSA-N -1 0 410.289 4.067 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)c(Cl)c1 ZINC000443414702 868000765 /nfs/dbraw/zinc/00/07/65/868000765.db2.gz JCTUMCJTKGAROZ-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000443525853 868082893 /nfs/dbraw/zinc/08/28/93/868082893.db2.gz BGIFPOCBNXVQRZ-HNNXBMFYSA-N -1 0 422.466 4.440 20 30 HIEDRM O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(F)c(F)c([O-])c1F ZINC000443565956 868121965 /nfs/dbraw/zinc/12/19/65/868121965.db2.gz JZPPHQRDHCLWDW-UHFFFAOYSA-N -1 0 407.285 4.429 20 30 HIEDRM COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000468358094 882298605 /nfs/dbraw/zinc/29/86/05/882298605.db2.gz HWSMYJIZQRVCTL-NSHDSACASA-N -1 0 415.298 4.080 20 30 HIEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000446760312 870673545 /nfs/dbraw/zinc/67/35/45/870673545.db2.gz GDMJWLSGSOPLKO-UHFFFAOYSA-N -1 0 403.660 4.055 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc4ccccc4c3)o2)c(Cl)c1 ZINC000446774525 870688277 /nfs/dbraw/zinc/68/82/77/870688277.db2.gz GNNHPSBHJJIMLE-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000446775622 870690406 /nfs/dbraw/zinc/69/04/06/870690406.db2.gz KEYSMUPNOPMMLZ-UHFFFAOYSA-N -1 0 403.660 4.055 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cc4c(s3)CCCC4)o2)c(Cl)c1 ZINC000446776622 870693363 /nfs/dbraw/zinc/69/33/63/870693363.db2.gz NVALFNJDSMLFRA-UHFFFAOYSA-N -1 0 420.903 4.003 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)c1 ZINC000447270238 871154912 /nfs/dbraw/zinc/15/49/12/871154912.db2.gz IYDUNAGWBGRJGB-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1F ZINC000447523133 871388547 /nfs/dbraw/zinc/38/85/47/871388547.db2.gz KXDBETISLYADTH-MRXNPFEDSA-N -1 0 404.426 4.269 20 30 HIEDRM Cc1cn(-c2ccc(C#N)cn2)nc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000460755989 873595970 /nfs/dbraw/zinc/59/59/70/873595970.db2.gz NMNNKQJRVYCBRM-UHFFFAOYSA-N -1 0 423.885 4.055 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000460821837 873704348 /nfs/dbraw/zinc/70/43/48/873704348.db2.gz BXTHUMLVCXDQKS-UHFFFAOYSA-N -1 0 408.323 4.483 20 30 HIEDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)s1 ZINC000460840222 873729929 /nfs/dbraw/zinc/72/99/29/873729929.db2.gz ZKCFILZLBYODSA-UHFFFAOYSA-N -1 0 423.260 4.093 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000462102782 875211400 /nfs/dbraw/zinc/21/14/00/875211400.db2.gz NDRCWEBKDITLPV-UHFFFAOYSA-N -1 0 408.867 4.051 20 30 HIEDRM N#CCCN(C(=O)CCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1 ZINC000463111412 876149854 /nfs/dbraw/zinc/14/98/54/876149854.db2.gz PEVYVIFCIHJIEH-UHFFFAOYSA-N -1 0 406.269 4.365 20 30 HIEDRM COc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3OC)cc2)c1 ZINC000463527432 876599225 /nfs/dbraw/zinc/59/92/25/876599225.db2.gz PMTUJAGAVQWJQA-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM Cc1nn(C)c(C)c1[C@@H]([N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F)C(F)(F)F ZINC000464098628 877254877 /nfs/dbraw/zinc/25/48/77/877254877.db2.gz BSLDBMZXXYLLCH-CYBMUJFWSA-N -1 0 415.284 4.367 20 30 HIEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 ZINC000464180551 877351033 /nfs/dbraw/zinc/35/10/33/877351033.db2.gz FYFWMPSWDLGTGM-IGMNZBQBSA-N -1 0 409.559 4.447 20 30 HIEDRM COc1cccc(-c2nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c(C)[nH]2)c1 ZINC000464411780 877616533 /nfs/dbraw/zinc/61/65/33/877616533.db2.gz QSEUUKYXDPYDLN-OAHLLOKOSA-N -1 0 400.360 4.298 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(ccc(Cl)c2Cl)s1 ZINC000464413145 877617921 /nfs/dbraw/zinc/61/79/21/877617921.db2.gz BXKIXMYNPHNVMK-UHFFFAOYSA-N -1 0 414.295 4.284 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ccc3c(c2)OCO3)n1)c1cc(C(F)(F)F)ccn1 ZINC000464469243 877691209 /nfs/dbraw/zinc/69/12/09/877691209.db2.gz RUEUMCMSDDHADB-GFCCVEGCSA-N -1 0 417.368 4.443 20 30 HIEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000464531742 877748945 /nfs/dbraw/zinc/74/89/45/877748945.db2.gz XFKWOJLALUDHRS-CQSZACIVSA-N -1 0 407.380 4.320 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c(F)c1 ZINC000466287233 880032210 /nfs/dbraw/zinc/03/22/10/880032210.db2.gz IHKIWUUEXTYYKU-UHFFFAOYSA-N -1 0 419.453 4.156 20 30 HIEDRM C=CC[C@@H](CC)NC(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000466378054 880138115 /nfs/dbraw/zinc/13/81/15/880138115.db2.gz XUNSYSLPKCJWKW-HUUCEWRRSA-N -1 0 407.561 4.264 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000470439322 884838034 /nfs/dbraw/zinc/83/80/34/884838034.db2.gz VGNXZXAYKBAVNR-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1SC1CCCC1 ZINC000471112332 885648847 /nfs/dbraw/zinc/64/88/47/885648847.db2.gz ICPCWTNPKQLRMF-UHFFFAOYSA-N -1 0 403.485 4.302 20 30 HIEDRM CC[C@@H](c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1)c1ccccc1 ZINC000471510385 886212601 /nfs/dbraw/zinc/21/26/01/886212601.db2.gz KRMQVHNRCRJULN-OAHLLOKOSA-N -1 0 418.931 4.406 20 30 HIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000504222793 913094832 /nfs/dbraw/zinc/09/48/32/913094832.db2.gz ILXGYHDOUZVOLN-UHFFFAOYSA-N -1 0 403.660 4.223 20 30 HIEDRM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc1 ZINC000472437048 887285191 /nfs/dbraw/zinc/28/51/91/887285191.db2.gz KKJVUTPWLKQNPH-GFCCVEGCSA-N -1 0 404.651 4.001 20 30 HIEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc1 ZINC000472437050 887285739 /nfs/dbraw/zinc/28/57/39/887285739.db2.gz KKJVUTPWLKQNPH-LBPRGKRZSA-N -1 0 404.651 4.001 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)sc1Cl ZINC000473761161 888555337 /nfs/dbraw/zinc/55/53/37/888555337.db2.gz ZZGMTEMAFHAXKW-UHFFFAOYSA-N -1 0 409.945 4.430 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000473767806 888565123 /nfs/dbraw/zinc/56/51/23/888565123.db2.gz UVGZVZBQYVLWKB-UHFFFAOYSA-N -1 0 404.923 4.344 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2occc2CS(=O)(=O)c2ccccc2)n1 ZINC000474431704 889298293 /nfs/dbraw/zinc/29/82/93/889298293.db2.gz FHBZTMUCDADPLE-INIZCTEOSA-N -1 0 414.508 4.323 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1ccc(OC(F)F)cc1 ZINC000474444704 889310769 /nfs/dbraw/zinc/31/07/69/889310769.db2.gz IBRRDNZAPJUNLT-AWEZNQCLSA-N -1 0 417.441 4.247 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1ccc(OC(F)F)cc1 ZINC000474444705 889311648 /nfs/dbraw/zinc/31/16/48/889311648.db2.gz IBRRDNZAPJUNLT-CQSZACIVSA-N -1 0 417.441 4.247 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(F)c2F)nc1 ZINC000475789200 890729504 /nfs/dbraw/zinc/72/95/04/890729504.db2.gz JSRNOUNBSFXIAW-UHFFFAOYSA-N -1 0 401.394 4.019 20 30 HIEDRM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1cc(F)c(F)cc1F ZINC000475806630 890741891 /nfs/dbraw/zinc/74/18/91/890741891.db2.gz CKVWGGYGJRTFAU-UHFFFAOYSA-N -1 0 402.291 4.018 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c(Cl)c1 ZINC000475820964 890755256 /nfs/dbraw/zinc/75/52/56/890755256.db2.gz LIFWVMLFZJUGGI-UHFFFAOYSA-N -1 0 407.776 4.126 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)cc1C#N ZINC000476534802 891447542 /nfs/dbraw/zinc/44/75/42/891447542.db2.gz LBFLWMLCNMAEII-QGZVFWFLSA-N -1 0 409.511 4.039 20 30 HIEDRM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000479144136 894415428 /nfs/dbraw/zinc/41/54/28/894415428.db2.gz WWPDRERRWJUWPX-UHFFFAOYSA-N -1 0 415.298 4.081 20 30 HIEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000479485885 894808448 /nfs/dbraw/zinc/80/84/48/894808448.db2.gz VZBOLKFUTVFEQR-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1cccc(F)c1 ZINC000480972598 896310691 /nfs/dbraw/zinc/31/06/91/896310691.db2.gz RTAMVBQIHRWFRX-KRWDZBQOSA-N -1 0 403.442 4.328 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000481441103 896839544 /nfs/dbraw/zinc/83/95/44/896839544.db2.gz VBKHMCGSRPWTQZ-UHFFFAOYSA-N -1 0 405.646 4.017 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000481564037 896942239 /nfs/dbraw/zinc/94/22/39/896942239.db2.gz FOMJMOPNZBEZPW-UHFFFAOYSA-N -1 0 404.542 4.284 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000481621113 897004777 /nfs/dbraw/zinc/00/47/77/897004777.db2.gz NGQYDCZHDHREBT-NSHDSACASA-N -1 0 401.435 4.153 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1Cl ZINC000481986288 897381293 /nfs/dbraw/zinc/38/12/93/897381293.db2.gz YNUPCCZLPFQSCV-UHFFFAOYSA-N -1 0 409.920 4.105 20 30 HIEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000481994354 897390623 /nfs/dbraw/zinc/39/06/23/897390623.db2.gz ZGHRLCFHJNQXJW-UHFFFAOYSA-N -1 0 420.519 4.263 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1cccc2cnccc21 ZINC000483190212 898849278 /nfs/dbraw/zinc/84/92/78/898849278.db2.gz CURBJLKCQFVFLU-FQEVSTJZSA-N -1 0 404.433 4.162 20 30 HIEDRM Cc1nn(C)c2nc(-c3cccs3)cc(C([O-])=C(C#N)c3cnc4ccccc4n3)c12 ZINC000483202227 898856998 /nfs/dbraw/zinc/85/69/98/898856998.db2.gz STHDIPXKOIRZEB-HNNXBMFYSA-N -1 0 424.489 4.439 20 30 HIEDRM Cc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1-c1c(Cl)cccc1Cl ZINC000483222767 898868331 /nfs/dbraw/zinc/86/83/31/898868331.db2.gz APWYOURNEKGOFF-LBPRGKRZSA-N -1 0 423.263 4.316 20 30 HIEDRM N#CC(=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1cnc2ccccc2n1 ZINC000483236959 898880951 /nfs/dbraw/zinc/88/09/51/898880951.db2.gz YIQSFYHXUYURRG-AWEZNQCLSA-N -1 0 414.856 4.231 20 30 HIEDRM COc1ccc(Sc2nc(=NC(=O)c3ccc(C(C)(C)C#N)cc3)s[n-]2)cc1 ZINC000483727141 899387883 /nfs/dbraw/zinc/38/78/83/899387883.db2.gz MLFKXXQHLSAMOP-UHFFFAOYSA-N -1 0 410.524 4.173 20 30 HIEDRM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000484515489 900005104 /nfs/dbraw/zinc/00/51/04/900005104.db2.gz OUQVXQVBGCWMTK-CYBMUJFWSA-N -1 0 422.503 4.055 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])cc1 ZINC000485676475 900927677 /nfs/dbraw/zinc/92/76/77/900927677.db2.gz WUGYGJLKXONYFZ-INIZCTEOSA-N -1 0 424.522 4.318 20 30 HIEDRM N#Cc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1Oc1ccccc1 ZINC000488330916 902767767 /nfs/dbraw/zinc/76/77/67/902767767.db2.gz LGOBXMIABDSMAE-UHFFFAOYSA-N -1 0 422.462 4.169 20 30 HIEDRM CCOc1cccc(-c2cccc(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)n2)c1 ZINC000489561898 903465906 /nfs/dbraw/zinc/46/59/06/903465906.db2.gz OLYBHDAQCAOIJV-UHFFFAOYSA-N -1 0 406.467 4.094 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1-c1nc(C)cc(C)n1 ZINC000490718272 904188824 /nfs/dbraw/zinc/18/88/24/904188824.db2.gz GCPJMUFCHYNDDS-AWEZNQCLSA-N -1 0 422.901 4.341 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1-c1nc(C)cc(C)n1 ZINC000490718277 904189740 /nfs/dbraw/zinc/18/97/40/904189740.db2.gz GCPJMUFCHYNDDS-CQSZACIVSA-N -1 0 422.901 4.341 20 30 HIEDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1 ZINC000498013749 907508509 /nfs/dbraw/zinc/50/85/09/907508509.db2.gz VPTBKINBFGVTDE-UHFFFAOYSA-N -1 0 409.305 4.217 20 30 HIEDRM N#C[C@@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000500012999 909469188 /nfs/dbraw/zinc/46/91/88/909469188.db2.gz XZWANPUJGGNXHL-OAHLLOKOSA-N -1 0 405.216 4.018 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3csc(S(C)(=O)=O)c3)n2)cc1 ZINC000500452736 909868273 /nfs/dbraw/zinc/86/82/73/909868273.db2.gz SJNPPXMOIHXXQW-AWEZNQCLSA-N -1 0 402.522 4.074 20 30 HIEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cs1 ZINC000500468287 909875590 /nfs/dbraw/zinc/87/55/90/909875590.db2.gz YERDHVFVLYGQEM-JTQLQIEISA-N -1 0 424.475 4.043 20 30 HIEDRM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000501861137 910890508 /nfs/dbraw/zinc/89/05/08/910890508.db2.gz MXEBWRGTFWIJNC-SFHVURJKSA-N -1 0 401.850 4.330 20 30 HIEDRM C=CCN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(Br)ccc1F ZINC000502187128 911120598 /nfs/dbraw/zinc/12/05/98/911120598.db2.gz NLPWHFJIZJWKEM-UHFFFAOYSA-N -1 0 408.296 4.487 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2ccoc2)nn1-c1ccccc1 ZINC000513382067 921755052 /nfs/dbraw/zinc/75/50/52/921755052.db2.gz DKRDEWKDABQZQA-UHFFFAOYSA-N -1 0 404.451 4.113 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506717252 915395241 /nfs/dbraw/zinc/39/52/41/915395241.db2.gz BUBLRYWMRCPLOH-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)c1 ZINC000506718661 915396136 /nfs/dbraw/zinc/39/61/36/915396136.db2.gz JSIOONYQGMKKOJ-UHFFFAOYSA-N -1 0 416.282 4.146 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)nc2ccccc12 ZINC000508124306 916941174 /nfs/dbraw/zinc/94/11/74/916941174.db2.gz FKEQHYUPVOJXMY-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000508133205 916952445 /nfs/dbraw/zinc/95/24/45/916952445.db2.gz PMIZTUOGDSHNIP-UHFFFAOYSA-N -1 0 418.824 4.075 20 30 HIEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3c(Cl)ccc4ccccc43)o2)c1 ZINC000508209022 917026773 /nfs/dbraw/zinc/02/67/73/917026773.db2.gz PRPJZPYVRZCNKV-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM C=CCn1c([C@H](CC)c2ccccc2)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000508984963 917738659 /nfs/dbraw/zinc/73/86/59/917738659.db2.gz FCZODSHHUJRUSA-MRXNPFEDSA-N -1 0 420.542 4.353 20 30 HIEDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1 ZINC000509257271 917948436 /nfs/dbraw/zinc/94/84/36/917948436.db2.gz SQRFAIPITJJNOW-UHFFFAOYSA-N -1 0 402.520 4.240 20 30 HIEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 ZINC000509893105 918494373 /nfs/dbraw/zinc/49/43/73/918494373.db2.gz ISTDBHLGWJFJDV-CYBMUJFWSA-N -1 0 407.405 4.159 20 30 HIEDRM CO[C@@H](C)c1nc(=NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)s[n-]1 ZINC000511116863 919729136 /nfs/dbraw/zinc/72/91/36/919729136.db2.gz UTFIOBMJOILAQO-NSHDSACASA-N -1 0 414.874 4.237 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c(Br)c1 ZINC000511275837 919873021 /nfs/dbraw/zinc/87/30/21/919873021.db2.gz IFVUUXVGMBPVOU-UHFFFAOYSA-N -1 0 409.305 4.217 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000511727311 920394848 /nfs/dbraw/zinc/39/48/48/920394848.db2.gz PJOOJVORDTWZRD-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)c(Br)c2)n1 ZINC000511888756 920624865 /nfs/dbraw/zinc/62/48/65/920624865.db2.gz YWOKBEZCAUXENW-VIFPVBQESA-N -1 0 413.680 4.226 20 30 HIEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C(=O)[O-])c(CC)o1 ZINC000516318890 923662024 /nfs/dbraw/zinc/66/20/24/923662024.db2.gz SRQULGWXTROZEE-UHFFFAOYSA-N -1 0 410.239 4.270 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(F)cc4nccnc43)n2)cc1 ZINC000516714072 923858530 /nfs/dbraw/zinc/85/85/30/923858530.db2.gz OPKBEHGNZXFQAN-MRXNPFEDSA-N -1 0 404.426 4.391 20 30 HIEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n1 ZINC000517800830 926842389 /nfs/dbraw/zinc/84/23/89/926842389.db2.gz LEUAQOAKZVIKPC-GFCCVEGCSA-N -1 0 411.899 4.337 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C(=O)[O-] ZINC000517924712 926891874 /nfs/dbraw/zinc/89/18/74/926891874.db2.gz FMJCMBVVLATPFR-UHFFFAOYSA-N -1 0 408.435 4.158 20 30 HIEDRM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)c1 ZINC000518243628 927104631 /nfs/dbraw/zinc/10/46/31/927104631.db2.gz ZDHBPCHSWVJOIT-UHFFFAOYSA-N -1 0 416.462 4.337 20 30 HIEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)nn2)cc1 ZINC000521260438 929087164 /nfs/dbraw/zinc/08/71/64/929087164.db2.gz CXFNBNXVSIKUNE-CQSZACIVSA-N -1 0 421.432 4.468 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1F ZINC000521936514 929575182 /nfs/dbraw/zinc/57/51/82/929575182.db2.gz RHKQEEWANAVRRU-UHFFFAOYSA-N -1 0 402.403 4.201 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC000524918082 929889353 /nfs/dbraw/zinc/88/93/53/929889353.db2.gz DRZFQYDDOBECHR-UHFFFAOYSA-N -1 0 408.527 4.210 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1Cc1c(Cl)cccc1Cl ZINC000524918424 929889487 /nfs/dbraw/zinc/88/94/87/929889487.db2.gz ICEPDSWDNZXAOT-UHFFFAOYSA-N -1 0 421.309 4.219 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2cnccn2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000525447104 930244799 /nfs/dbraw/zinc/24/47/99/930244799.db2.gz POYUFIXYKRHWRZ-CQSZACIVSA-N -1 0 414.475 4.085 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000525481768 930270270 /nfs/dbraw/zinc/27/02/70/930270270.db2.gz JWIDYIOAMSAIGP-UHFFFAOYSA-N -1 0 413.386 4.199 20 30 HIEDRM C[C@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000525482460 930271428 /nfs/dbraw/zinc/27/14/28/930271428.db2.gz TWPMZMWVVDTBOI-HNNXBMFYSA-N -1 0 423.450 4.407 20 30 HIEDRM N#CC(=C([O-])c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1nc2ccccc2o1 ZINC000525514050 930294594 /nfs/dbraw/zinc/29/45/94/930294594.db2.gz DFQNVTYUJSBXEZ-IBGZPJMESA-N -1 0 416.458 4.292 20 30 HIEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2C)c1C ZINC000525534874 930308086 /nfs/dbraw/zinc/30/80/86/930308086.db2.gz VUFKOTXHWAVYLK-UHFFFAOYSA-N -1 0 410.499 4.293 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)ccc1Cl ZINC000531446602 931060157 /nfs/dbraw/zinc/06/01/57/931060157.db2.gz ZLOLDIFRBQRAGK-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000533165801 931796558 /nfs/dbraw/zinc/79/65/58/931796558.db2.gz UTNAZQWKBLNSOL-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM C=C(C)COc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000533169031 931798399 /nfs/dbraw/zinc/79/83/99/931798399.db2.gz WZMRXAQNKLSWMY-UHFFFAOYSA-N -1 0 415.389 4.159 20 30 HIEDRM C=C(C)[C@@H](CC(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1)OCC ZINC000534466767 932486034 /nfs/dbraw/zinc/48/60/34/932486034.db2.gz VKISRZAXMIXMSY-CRAIPNDOSA-N -1 0 422.572 4.097 20 30 HIEDRM Cc1cc(S(C)(=O)=O)cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1C ZINC000534690852 932661677 /nfs/dbraw/zinc/66/16/77/932661677.db2.gz IZUBEBRBYGZXRQ-OAHLLOKOSA-N -1 0 418.927 4.460 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(OCC(F)F)c3)n2)cc1 ZINC000534690862 932662745 /nfs/dbraw/zinc/66/27/45/932662745.db2.gz JASBYPNUGMFRTF-HNNXBMFYSA-N -1 0 415.421 4.348 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000538623028 938664236 /nfs/dbraw/zinc/66/42/36/938664236.db2.gz DUSFMWMOFIJYKD-GDBMZVCRSA-N -1 0 421.444 4.466 20 30 HIEDRM CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])c1cccc(C#N)c1 ZINC000539843665 938955555 /nfs/dbraw/zinc/95/55/55/938955555.db2.gz CJABNPOWDYHDIG-UHFFFAOYSA-N -1 0 407.376 4.071 20 30 HIEDRM COCCOc1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccn1 ZINC000540778057 939369208 /nfs/dbraw/zinc/36/92/08/939369208.db2.gz AYUHBYCKMVNDIO-INIZCTEOSA-N -1 0 413.886 4.374 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000544098775 940326322 /nfs/dbraw/zinc/32/63/22/940326322.db2.gz PSDOHTAIHDVWEH-UHFFFAOYSA-N -1 0 416.886 4.191 20 30 HIEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)cc1 ZINC000544298238 940383169 /nfs/dbraw/zinc/38/31/69/940383169.db2.gz JXBJMWJDWHBWEN-UHFFFAOYSA-N -1 0 400.482 4.378 20 30 HIEDRM CO[C@H](C)c1nc(=NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s[n-]1 ZINC000563878791 945318890 /nfs/dbraw/zinc/31/88/90/945318890.db2.gz UXAPGRISAQATHT-ZIAGYGMSSA-N -1 0 407.499 4.089 20 30 HIEDRM Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C([O-])=C(C#N)c1ccncn1 ZINC000546152797 940714747 /nfs/dbraw/zinc/71/47/47/940714747.db2.gz DZRIUJNBVXGESV-KRWDZBQOSA-N -1 0 417.494 4.305 20 30 HIEDRM Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C([O-])=C(C#N)c1ccncn1 ZINC000546152801 940714815 /nfs/dbraw/zinc/71/48/15/940714815.db2.gz DZRIUJNBVXGESV-QGZVFWFLSA-N -1 0 417.494 4.305 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC000553260654 941858097 /nfs/dbraw/zinc/85/80/97/941858097.db2.gz VRYVRFHEHGPIKP-ZDUSSCGKSA-N -1 0 419.484 4.219 20 30 HIEDRM C=C(C)Cn1c(SCC(=O)Nc2cc(Cl)c([O-])cc2F)nnc1-c1ccco1 ZINC000553662603 941937916 /nfs/dbraw/zinc/93/79/16/941937916.db2.gz ULECMMZUIHHZRR-UHFFFAOYSA-N -1 0 422.869 4.343 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)c1 ZINC000554689487 942199920 /nfs/dbraw/zinc/19/99/20/942199920.db2.gz LAPURLORVLZFBM-UHFFFAOYSA-N -1 0 407.225 4.310 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)sc1C(F)(F)F ZINC000567833902 946418871 /nfs/dbraw/zinc/41/88/71/946418871.db2.gz RSNVCRPDYJZFLU-UHFFFAOYSA-N -1 0 415.340 4.162 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)ccc1C(F)(F)F ZINC000569735035 946962393 /nfs/dbraw/zinc/96/23/93/946962393.db2.gz JQGXCIBCCUMQCJ-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000570520370 947274099 /nfs/dbraw/zinc/27/40/99/947274099.db2.gz VAMKFTNGYXGSGT-UHFFFAOYSA-N -1 0 410.842 4.071 20 30 HIEDRM C=CCOc1ccccc1C(=O)NCCc1c(CC)[n-]n(Cc2ccccc2C)c1=O ZINC000571255010 947574733 /nfs/dbraw/zinc/57/47/33/947574733.db2.gz IEXXADZOYYOGQU-HXUWFJFHSA-N -1 0 419.525 4.104 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nnn1Cc1ccc(F)cc1 ZINC000574516091 948463488 /nfs/dbraw/zinc/46/34/88/948463488.db2.gz YLDJNZAREBHWHK-HNNXBMFYSA-N -1 0 424.386 4.009 20 30 HIEDRM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000575354083 948652385 /nfs/dbraw/zinc/65/23/85/948652385.db2.gz PBWKZRIYIBELJB-SNVBAGLBSA-N -1 0 404.797 4.342 20 30 HIEDRM O=C(Nc1ccc2c[nH]nc2c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006017188 845160701 /nfs/dbraw/zinc/16/07/01/845160701.db2.gz ZRPRGVRWWLMGAF-UHFFFAOYSA-N -1 0 410.430 4.139 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Br)c(C(F)(F)F)c1 ZINC000006214061 845183113 /nfs/dbraw/zinc/18/31/13/845183113.db2.gz SOFYGMBMWDZJSW-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000013343495 845915214 /nfs/dbraw/zinc/91/52/14/845915214.db2.gz AXUXAGFZJAJQME-GIDUJCDVSA-N -1 0 421.474 4.390 20 30 HIEDRM CC1(C#N)CCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436623718 861873321 /nfs/dbraw/zinc/87/33/21/861873321.db2.gz GVKILTDOIIBBTK-UHFFFAOYSA-N -1 0 403.891 4.125 20 30 HIEDRM CS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000041515112 848225054 /nfs/dbraw/zinc/22/50/54/848225054.db2.gz OZEBBUAGYUKTRY-INIZCTEOSA-N -1 0 416.911 4.357 20 30 HIEDRM N#CC(=C([O-])c1cnn2cccnc12)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000041538715 848228135 /nfs/dbraw/zinc/22/81/35/848228135.db2.gz JKIMZGVSNNGPKC-LBMSDSGBSA-N -1 0 403.511 4.144 20 30 HIEDRM Cc1nn(Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)c(C)c1[N+](=O)[O-] ZINC000041544084 848228941 /nfs/dbraw/zinc/22/89/41/848228941.db2.gz KKWPWZQRMMFCIA-KRWDZBQOSA-N -1 0 415.409 4.088 20 30 HIEDRM C=C(C)CCc1noc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[O-])n1 ZINC000436684529 861893694 /nfs/dbraw/zinc/89/36/94/861893694.db2.gz BTTRXDDULZYWRW-UHFFFAOYSA-N -1 0 419.890 4.405 20 30 HIEDRM N#Cc1ccc(OC2CCC(NC(=O)c3c([O-])cc(Cl)cc3Cl)CC2)nc1 ZINC000436695219 861895962 /nfs/dbraw/zinc/89/59/62/861895962.db2.gz COZYCDMSMOVWKM-UHFFFAOYSA-N -1 0 406.269 4.086 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000047991995 849148702 /nfs/dbraw/zinc/14/87/02/849148702.db2.gz OZIGQNOKLLKQMM-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM CC(C)CCN(CCC#N)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436806607 861996746 /nfs/dbraw/zinc/99/67/46/861996746.db2.gz GSMZXMZTEQYNSW-UHFFFAOYSA-N -1 0 418.129 4.319 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)cs1 ZINC000051534555 849481363 /nfs/dbraw/zinc/48/13/63/849481363.db2.gz SGVWPMYCMVZVAP-QGZVFWFLSA-N -1 0 415.434 4.394 20 30 HIEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1Oc1cccnc1 ZINC000052367978 849574582 /nfs/dbraw/zinc/57/45/82/849574582.db2.gz QRPVUPKKNXQRNQ-UHFFFAOYSA-N -1 0 406.463 4.496 20 30 HIEDRM CC(C)(C#N)C(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000056153113 850258967 /nfs/dbraw/zinc/25/89/67/850258967.db2.gz FJWVQHRNZQYSOE-UHFFFAOYSA-N -1 0 412.298 4.282 20 30 HIEDRM Cc1sc2ncnc(SCCC(=O)[N-]S(=O)(=O)c3cccs3)c2c1C ZINC000065763404 852247582 /nfs/dbraw/zinc/24/75/82/852247582.db2.gz SVMCEXKCEDUZMZ-UHFFFAOYSA-N -1 0 413.571 4.197 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C=Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000072032265 852474699 /nfs/dbraw/zinc/47/46/99/852474699.db2.gz MLDSLMOQVYOLNW-HVEWAWRISA-N -1 0 404.447 4.437 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](c3ccc(OC)cc3)C(C)C)cc2[n-]c1=S ZINC000096950274 852561011 /nfs/dbraw/zinc/56/10/11/852561011.db2.gz AIZBDQKLNOAPHV-FQEVSTJZSA-N -1 0 423.538 4.007 20 30 HIEDRM Cc1nn(CC(C)C)c(C)c1CC(=O)[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000097465432 852613822 /nfs/dbraw/zinc/61/38/22/852613822.db2.gz CGHUCKQRQSDKHG-UHFFFAOYSA-N -1 0 405.564 4.278 20 30 HIEDRM CC(=O)c1cccc(OCCCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000138542451 853391147 /nfs/dbraw/zinc/39/11/47/853391147.db2.gz FCWFCCGGLQGRLJ-FQEVSTJZSA-N -1 0 402.450 4.430 20 30 HIEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2sc(C(C)(C)C)nc2C)C1=O ZINC000149601738 853627653 /nfs/dbraw/zinc/62/76/53/853627653.db2.gz WNPXBUDLTXRPBR-HXUWFJFHSA-N -1 0 408.568 4.065 20 30 HIEDRM CC(C)NC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000195662734 853744731 /nfs/dbraw/zinc/74/47/31/853744731.db2.gz XFUBPTVHKVOJKH-QGZVFWFLSA-N -1 0 405.483 4.225 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)ccc1Cl ZINC000195698478 853765657 /nfs/dbraw/zinc/76/56/57/853765657.db2.gz UWPAOXLYDUTORR-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM COc1cc(/C=C2/CCOc3cc(Br)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000209243334 853810320 /nfs/dbraw/zinc/81/03/20/853810320.db2.gz ODHJTZAUQDURFC-WDZFZDKYSA-N -1 0 420.215 4.120 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000323247691 855395647 /nfs/dbraw/zinc/39/56/47/855395647.db2.gz SHKJVUOZHOWRQW-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000325563900 855404684 /nfs/dbraw/zinc/40/46/84/855404684.db2.gz KHDYCDAFRRZJOV-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccoc3)nn2-c2ccccc2)cc1Cl ZINC000409623586 855569932 /nfs/dbraw/zinc/56/99/32/855569932.db2.gz HWYYFRUGBPQMFO-UHFFFAOYSA-N -1 0 424.869 4.458 20 30 HIEDRM N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000409870756 855698354 /nfs/dbraw/zinc/69/83/54/855698354.db2.gz CIZAZJXWBPGKQR-UHFFFAOYSA-N -1 0 422.462 4.313 20 30 HIEDRM CCSCc1ccnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000410335607 855935113 /nfs/dbraw/zinc/93/51/13/855935113.db2.gz UEEYPODDTUMWDE-UHFFFAOYSA-N -1 0 401.435 4.026 20 30 HIEDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410336692 855935552 /nfs/dbraw/zinc/93/55/52/855935552.db2.gz JAHCLMHFORUJEO-UHFFFAOYSA-N -1 0 408.405 4.138 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n(-c2ccc(F)cc2)n1 ZINC000410341339 855938208 /nfs/dbraw/zinc/93/82/08/855938208.db2.gz VUUSRARODAVAEM-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM CC1(C)C(=O)Nc2ccc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc21 ZINC000426168551 856150308 /nfs/dbraw/zinc/15/03/08/856150308.db2.gz RUGIPZRNWGRLAU-MRXNPFEDSA-N -1 0 412.474 4.402 20 30 HIEDRM CCn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cn1 ZINC000426564552 856351151 /nfs/dbraw/zinc/35/11/51/856351151.db2.gz GFURUMWJKOSWDV-GFCCVEGCSA-N -1 0 424.436 4.185 20 30 HIEDRM Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427337960 856778875 /nfs/dbraw/zinc/77/88/75/856778875.db2.gz NVOMCPWQAZOZLE-UHFFFAOYSA-N -1 0 418.290 4.247 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1C#N ZINC000427595653 856881739 /nfs/dbraw/zinc/88/17/39/856881739.db2.gz WTSUUMYQSFFCLD-UHFFFAOYSA-N -1 0 416.506 4.248 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)noc1-c1ccc(Cl)s1 ZINC000427756380 856941125 /nfs/dbraw/zinc/94/11/25/856941125.db2.gz HOUGOPLSWVIXDB-UHFFFAOYSA-N -1 0 411.867 4.430 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3Cl)s2)cc1F ZINC000427794290 856958324 /nfs/dbraw/zinc/95/83/24/856958324.db2.gz SQQJXCOSEHGOPB-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM C=CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000428288145 857142517 /nfs/dbraw/zinc/14/25/17/857142517.db2.gz WCKPULWTGSVSOR-UHFFFAOYSA-N -1 0 406.507 4.412 20 30 HIEDRM N#CC(=C([O-])c1cnc(OCc2ccccc2)cn1)c1nc2ccccc2n1C(F)F ZINC000429115303 857516281 /nfs/dbraw/zinc/51/62/81/857516281.db2.gz NQQMGRCDZMBZHP-HNNXBMFYSA-N -1 0 419.391 4.290 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cnn1-c1ccc(C)cc1 ZINC000429116282 857516717 /nfs/dbraw/zinc/51/67/17/857516717.db2.gz QZBICVUKVMZZAE-MRXNPFEDSA-N -1 0 422.510 4.257 20 30 HIEDRM Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)nc21 ZINC000429586608 857770072 /nfs/dbraw/zinc/77/00/72/857770072.db2.gz BREQSXWMRAKPSK-INIZCTEOSA-N -1 0 412.409 4.408 20 30 HIEDRM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000429671651 857828825 /nfs/dbraw/zinc/82/88/25/857828825.db2.gz APUMCLQRMLPAGP-CABCVRRESA-N -1 0 410.524 4.354 20 30 HIEDRM CCOc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1OC ZINC000430652499 858249539 /nfs/dbraw/zinc/24/95/39/858249539.db2.gz XQJXOTWAOUABQQ-LBPRGKRZSA-N -1 0 403.460 4.246 20 30 HIEDRM N#Cc1ccc(CSc2nnc([N-]S(=O)(=O)c3ccccc3Cl)s2)cc1 ZINC000431339207 858571975 /nfs/dbraw/zinc/57/19/75/858571975.db2.gz RQDTZAGQZBQJAX-UHFFFAOYSA-N -1 0 422.944 4.156 20 30 HIEDRM C=C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1)c1ccccc1 ZINC000431455083 858625891 /nfs/dbraw/zinc/62/58/91/858625891.db2.gz GYEOILVIEPUQGR-KBXCAEBGSA-N -1 0 402.288 4.441 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)cc1C(F)(F)F ZINC000432361039 859121556 /nfs/dbraw/zinc/12/15/56/859121556.db2.gz XGVKSXJAKDWRLX-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000432968212 859454326 /nfs/dbraw/zinc/45/43/26/859454326.db2.gz WEOCUEZZOKMYKQ-CQSZACIVSA-N -1 0 415.330 4.409 20 30 HIEDRM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000432968211 859454461 /nfs/dbraw/zinc/45/44/61/859454461.db2.gz WEOCUEZZOKMYKQ-AWEZNQCLSA-N -1 0 415.330 4.409 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nnn(CC4CCCC4)c3C)n2)cc1 ZINC000434623469 860435930 /nfs/dbraw/zinc/43/59/30/860435930.db2.gz LIFYPUYNJZXXOQ-SFHVURJKSA-N -1 0 421.526 4.399 20 30 HIEDRM CC(=Cc1csc(-c2cccc(Br)c2)n1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338408 860748320 /nfs/dbraw/zinc/74/83/20/860748320.db2.gz CZECVVJJLWGOPZ-POHAHGRESA-N -1 0 413.300 4.397 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)s1 ZINC000435491674 860820008 /nfs/dbraw/zinc/82/00/08/860820008.db2.gz MGZSYONNFHTFIH-UHFFFAOYSA-N -1 0 406.876 4.001 20 30 HIEDRM Cn1nc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC(F)F ZINC000467841559 881680668 /nfs/dbraw/zinc/68/06/68/881680668.db2.gz VFEPYNSFDMBTBP-NSHDSACASA-N -1 0 408.817 4.288 20 30 HIEDRM COc1cc(Oc2ccccc2)ccc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000438374708 863834112 /nfs/dbraw/zinc/83/41/12/863834112.db2.gz GFSDWIHGLGHQPJ-UHFFFAOYSA-N -1 0 407.451 4.434 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cnn1-c1cccc(C#N)c1 ZINC000438841617 864334278 /nfs/dbraw/zinc/33/42/78/864334278.db2.gz ZVWGRKWZAPTSJQ-UHFFFAOYSA-N -1 0 424.526 4.123 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cnn1-c1cccc(C#N)c1 ZINC000438847175 864341978 /nfs/dbraw/zinc/34/19/78/864341978.db2.gz MFWRPFUNVSVYQU-UHFFFAOYSA-N -1 0 400.891 4.151 20 30 HIEDRM N#CCc1ccc(OCc2cccc(NC(=O)c3nn(-c4ccccc4)cc3[O-])c2)cc1 ZINC000439030805 864487168 /nfs/dbraw/zinc/48/71/68/864487168.db2.gz WMJJTGBBXUXNCT-UHFFFAOYSA-N -1 0 424.460 4.475 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)Cc3ccccc3)c2)c1C#N ZINC000440822256 865938182 /nfs/dbraw/zinc/93/81/82/865938182.db2.gz OZLWZCJAGDRPFP-NDEPHWFRSA-N -1 0 424.547 4.116 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1OC(F)(F)F ZINC000442254518 867291396 /nfs/dbraw/zinc/29/13/96/867291396.db2.gz TXVBVTRKTIENJG-UHFFFAOYSA-N -1 0 421.194 4.020 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncoc2-c2ccccc2Cl)n1 ZINC000442821317 867686567 /nfs/dbraw/zinc/68/65/67/867686567.db2.gz UXJMXYZFPCNFGY-LLVKDONJSA-N -1 0 401.831 4.118 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCc4ccccc43)cc2)cc1[O-] ZINC000442942775 867755227 /nfs/dbraw/zinc/75/52/27/867755227.db2.gz MWSCLOWNTNNZIX-UHFFFAOYSA-N -1 0 411.461 4.038 20 30 HIEDRM CC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C ZINC000443517066 868078262 /nfs/dbraw/zinc/07/82/62/868078262.db2.gz AJKIJYBWDXINNU-SFHVURJKSA-N -1 0 400.463 4.439 20 30 HIEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000443958963 868494040 /nfs/dbraw/zinc/49/40/40/868494040.db2.gz DKMFITOQOTZNJC-OAHLLOKOSA-N -1 0 424.778 4.213 20 30 HIEDRM Cc1ccccc1[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000443994450 868516354 /nfs/dbraw/zinc/51/63/54/868516354.db2.gz SMBOEHYGZGGRKV-HNNXBMFYSA-N -1 0 404.360 4.117 20 30 HIEDRM C=CCCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000468364238 882305146 /nfs/dbraw/zinc/30/51/46/882305146.db2.gz ZIVHQFNCRCEMIA-UHFFFAOYSA-N -1 0 413.326 4.490 20 30 HIEDRM COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000468374556 882317411 /nfs/dbraw/zinc/31/74/11/882317411.db2.gz VDNRRNTXJAOAFX-NSHDSACASA-N -1 0 415.298 4.080 20 30 HIEDRM Cc1cnn([C@H]2CCCc3ccccc32)c1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000446816557 870730898 /nfs/dbraw/zinc/73/08/98/870730898.db2.gz GBWICMJWOJLVPF-NRFANRHFSA-N -1 0 406.511 4.098 20 30 HIEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000446824511 870740071 /nfs/dbraw/zinc/74/00/71/870740071.db2.gz FVXPBBWZJVWDEK-UHFFFAOYSA-N -1 0 413.524 4.032 20 30 HIEDRM CCCc1c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cnn1-c1cccc(C)c1 ZINC000446982932 870876555 /nfs/dbraw/zinc/87/65/55/870876555.db2.gz KORPQVBGISRUNP-UHFFFAOYSA-N -1 0 407.499 4.080 20 30 HIEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000447264247 871145513 /nfs/dbraw/zinc/14/55/13/871145513.db2.gz AXUAGXVBOCUVDA-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)ccc1C#N ZINC000447262927 871145537 /nfs/dbraw/zinc/14/55/37/871145537.db2.gz GNZUJACJPFKQKU-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447520557 871387735 /nfs/dbraw/zinc/38/77/35/871387735.db2.gz BRDPGZIDQKUVQZ-MOPGFXCFSA-N -1 0 406.873 4.143 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000468608837 882715185 /nfs/dbraw/zinc/71/51/85/882715185.db2.gz GUBXOTMSELQGDW-UHFFFAOYSA-N -1 0 411.421 4.198 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000460812331 873693138 /nfs/dbraw/zinc/69/31/38/873693138.db2.gz BXHIIJXGHPRKFQ-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c(C(F)(F)F)c1 ZINC000460838901 873727947 /nfs/dbraw/zinc/72/79/47/873727947.db2.gz HQLQOESCYIWAGO-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000468812984 882872596 /nfs/dbraw/zinc/87/25/96/882872596.db2.gz DFWOWYSMFZTMPJ-CQSZACIVSA-N -1 0 421.432 4.468 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000468961581 883027957 /nfs/dbraw/zinc/02/79/57/883027957.db2.gz MYQOMSXZKPDDQY-UHFFFAOYSA-N -1 0 400.287 4.106 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000463515970 876581865 /nfs/dbraw/zinc/58/18/65/876581865.db2.gz GXSBHXJMDLJREK-UHFFFAOYSA-N -1 0 408.882 4.094 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3cccc(F)c3)nc2c1 ZINC000463525592 876594978 /nfs/dbraw/zinc/59/49/78/876594978.db2.gz MLCDMQWLIWHPHN-UHFFFAOYSA-N -1 0 422.441 4.050 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2F)cc1 ZINC000463527895 876601261 /nfs/dbraw/zinc/60/12/61/876601261.db2.gz UUVGQZURVJSQMK-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM C[C@H]1CCCN(c2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)ccn2)C1 ZINC000464179537 877349903 /nfs/dbraw/zinc/34/99/03/877349903.db2.gz ATOABTBMYBOWDP-MAUKXSAKSA-N -1 0 403.511 4.326 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(F)cc1 ZINC000464413983 877620410 /nfs/dbraw/zinc/62/04/10/877620410.db2.gz YRCGSFRKGCEGNN-HNNXBMFYSA-N -1 0 402.351 4.478 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc(Cl)c1 ZINC000464473477 877694299 /nfs/dbraw/zinc/69/42/99/877694299.db2.gz RWPCXYXOOCWTCS-CQSZACIVSA-N -1 0 405.767 4.133 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1ccc2ncccc2c1 ZINC000464479074 877698689 /nfs/dbraw/zinc/69/86/89/877698689.db2.gz VZCZOZDDIQJXEX-MRXNPFEDSA-N -1 0 422.370 4.028 20 30 HIEDRM Cn1cnc2cc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cnc21 ZINC000469139427 883235155 /nfs/dbraw/zinc/23/51/55/883235155.db2.gz KPWWBGRXVPKWDX-XYUGOERHSA-N -1 0 417.538 4.383 20 30 HIEDRM CCCCOc1ccc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1Cl ZINC000470216713 884543987 /nfs/dbraw/zinc/54/39/87/884543987.db2.gz BHWLTCHKPBFEQA-UHFFFAOYSA-N -1 0 405.907 4.143 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)c(Cl)c1 ZINC000504048935 912955065 /nfs/dbraw/zinc/95/50/65/912955065.db2.gz FIFQAMOTEYGVHL-UHFFFAOYSA-N -1 0 407.623 4.053 20 30 HIEDRM CC[C@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000471211130 885784683 /nfs/dbraw/zinc/78/46/83/885784683.db2.gz HYWAQATXUWIKKW-VIFPVBQESA-N -1 0 410.236 4.120 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000471934972 886732235 /nfs/dbraw/zinc/73/22/35/886732235.db2.gz QOCGXKUFWYSZPR-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#CCc1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 ZINC000504230362 913103098 /nfs/dbraw/zinc/10/30/98/913103098.db2.gz PWMDTJGNRDAVGT-UHFFFAOYSA-N -1 0 403.660 4.108 20 30 HIEDRM Cc1c(I)cccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000472381048 887223967 /nfs/dbraw/zinc/22/39/67/887223967.db2.gz AXPUVHZCQJKGQK-GFCCVEGCSA-N -1 0 402.191 4.231 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1ccc(F)c(Cl)c1 ZINC000474423955 889287122 /nfs/dbraw/zinc/28/71/22/889287122.db2.gz ANYGSIGCHDCLFQ-LBPRGKRZSA-N -1 0 403.870 4.438 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(-c3cccc(C(F)(F)F)c3)nn2)n1 ZINC000474444329 889310680 /nfs/dbraw/zinc/31/06/80/889310680.db2.gz HGAWEYULSMWFTM-ZDUSSCGKSA-N -1 0 405.405 4.356 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n1 ZINC000474445765 889311131 /nfs/dbraw/zinc/31/11/31/889311131.db2.gz NGZNORGECUGVBC-GFCCVEGCSA-N -1 0 423.395 4.495 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000476384883 891299873 /nfs/dbraw/zinc/29/98/73/891299873.db2.gz FGHARRJCHQLCPL-UHFFFAOYSA-N -1 0 414.874 4.248 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)cc1C#N ZINC000477606145 892691756 /nfs/dbraw/zinc/69/17/56/892691756.db2.gz IBWNYYOOVXQTKT-UHFFFAOYSA-N -1 0 419.331 4.253 20 30 HIEDRM Cn1nc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000478098571 893265192 /nfs/dbraw/zinc/26/51/92/893265192.db2.gz WXYVSUFVGRPXNR-SNVBAGLBSA-N -1 0 422.253 4.249 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1ccccc1 ZINC000479535739 894841086 /nfs/dbraw/zinc/84/10/86/894841086.db2.gz AOTDAXFTBFWMLF-UHFFFAOYSA-N -1 0 400.891 4.151 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)cc1Cl ZINC000479571947 894864652 /nfs/dbraw/zinc/86/46/52/894864652.db2.gz YHWBSYCCUJEBET-UHFFFAOYSA-N -1 0 409.801 4.162 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cnn1-c1cccc(Cl)c1 ZINC000480218896 895622843 /nfs/dbraw/zinc/62/28/43/895622843.db2.gz DRUKXZYJLQFAPN-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM C=CCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000480549460 895909113 /nfs/dbraw/zinc/90/91/13/895909113.db2.gz CTEUCLJVZFUYNQ-UHFFFAOYSA-N -1 0 408.907 4.444 20 30 HIEDRM Cc1nc(-c2ccc(F)c(F)c2)sc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000480923417 896280137 /nfs/dbraw/zinc/28/01/37/896280137.db2.gz WVSIAAXJGMHAPU-ZDUSSCGKSA-N -1 0 413.453 4.205 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1-n1cccc1)c1cnc2ccccc2n1 ZINC000483224597 898869572 /nfs/dbraw/zinc/86/95/72/898869572.db2.gz FIQUGFRWDYGBCX-MRXNPFEDSA-N -1 0 422.423 4.235 20 30 HIEDRM CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000484175571 899793504 /nfs/dbraw/zinc/79/35/04/899793504.db2.gz RLOWREMNORFMNC-UHFFFAOYSA-N -1 0 402.369 4.304 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)ccc2OC(F)F)n1 ZINC000484551404 900029562 /nfs/dbraw/zinc/02/95/62/900029562.db2.gz IWDRMQPAYJVKJW-SNVBAGLBSA-N -1 0 400.790 4.065 20 30 HIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488294031 902756325 /nfs/dbraw/zinc/75/63/25/902756325.db2.gz KJIXIXAGWNAELM-QGZVFWFLSA-N -1 0 420.918 4.269 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c2cc(Br)ccc2n1 ZINC000505997006 914666663 /nfs/dbraw/zinc/66/66/63/914666663.db2.gz LOMLLMAIOHULJD-OAHLLOKOSA-N -1 0 420.270 4.376 20 30 HIEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1[N+](=O)[O-] ZINC000491587474 904664457 /nfs/dbraw/zinc/66/44/57/904664457.db2.gz YOPYZSVGMWSTBR-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM COc1c(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(C)nn1C ZINC000491977113 904748963 /nfs/dbraw/zinc/74/89/63/904748963.db2.gz KBHFLVZKZQMBCH-LBMSDSGBSA-N -1 0 410.543 4.152 20 30 HIEDRM N#CC(=C([O-])c1cnc(C(F)(F)F)c(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000496362014 906666125 /nfs/dbraw/zinc/66/61/25/906666125.db2.gz ZIVVDMJALHAKDO-NSHDSACASA-N -1 0 405.286 4.207 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)c(C)c1C(=O)[O-] ZINC000512743697 921300608 /nfs/dbraw/zinc/30/06/08/921300608.db2.gz ZEKIMWJLZCPUID-GFCCVEGCSA-N -1 0 404.513 4.054 20 30 HIEDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000498007177 907495500 /nfs/dbraw/zinc/49/55/00/907495500.db2.gz IKUYXZIKDNCTGH-UHFFFAOYSA-N -1 0 409.305 4.241 20 30 HIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000498006999 907495766 /nfs/dbraw/zinc/49/57/66/907495766.db2.gz GTIUONVTLDDGLD-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c1 ZINC000498016634 907511402 /nfs/dbraw/zinc/51/14/02/907511402.db2.gz STBUDFLEUIXYFU-UHFFFAOYSA-N -1 0 417.231 4.031 20 30 HIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000499772154 908912589 /nfs/dbraw/zinc/91/25/89/908912589.db2.gz QYGIASMGSBXCQO-UHFFFAOYSA-N -1 0 403.891 4.130 20 30 HIEDRM N#CC(=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2ccccc2[nH]1 ZINC000501311052 910464408 /nfs/dbraw/zinc/46/44/08/910464408.db2.gz ONQIKOICVGXOIM-ZDUSSCGKSA-N -1 0 402.845 4.164 20 30 HIEDRM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000502782356 911806569 /nfs/dbraw/zinc/80/65/69/911806569.db2.gz RSOZPCINUAMIDQ-UHFFFAOYSA-N -1 0 419.934 4.275 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)cn1 ZINC000506631027 915295283 /nfs/dbraw/zinc/29/52/83/915295283.db2.gz GYGJWZHGJGKUCT-UHFFFAOYSA-N -1 0 401.435 4.215 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000507020929 915826473 /nfs/dbraw/zinc/82/64/73/915826473.db2.gz YMWPQRRPHPZHPY-QGZVFWFLSA-N -1 0 424.489 4.373 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000507937217 916807322 /nfs/dbraw/zinc/80/73/22/916807322.db2.gz RYQPRIQBQJVQKM-UHFFFAOYSA-N -1 0 408.479 4.051 20 30 HIEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000507981193 916827497 /nfs/dbraw/zinc/82/74/97/916827497.db2.gz BHDHTWHABMRHFI-UHFFFAOYSA-N -1 0 405.907 4.233 20 30 HIEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000508239031 917057529 /nfs/dbraw/zinc/05/75/29/917057529.db2.gz YOFBPJMMJBXIAP-UHFFFAOYSA-N -1 0 407.623 4.053 20 30 HIEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccc3c2OCO3)cc1F ZINC000509090464 917832078 /nfs/dbraw/zinc/83/20/78/917832078.db2.gz QWQIQMBTWVYVKT-UHFFFAOYSA-N -1 0 412.398 4.019 20 30 HIEDRM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1c(F)c(F)cc(F)c1F ZINC000509224580 917923638 /nfs/dbraw/zinc/92/36/38/917923638.db2.gz OGTLLCGWQFVWIX-NSHDSACASA-N -1 0 419.293 4.354 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc4ccccc4s3)c2)cn1 ZINC000509562227 918212588 /nfs/dbraw/zinc/21/25/88/918212588.db2.gz XCRRPPQIKBSFSG-UHFFFAOYSA-N -1 0 407.480 4.107 20 30 HIEDRM COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000509629758 918274915 /nfs/dbraw/zinc/27/49/15/918274915.db2.gz XHMQAAQLGLIVFN-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ncccc2F)n1)c1nc(-c2ccncc2)cs1 ZINC000509869296 918471070 /nfs/dbraw/zinc/47/10/70/918471070.db2.gz YLCSKGYQIHXRQQ-GFCCVEGCSA-N -1 0 407.455 4.353 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2C)cc1C(=O)[O-] ZINC000511107115 919714618 /nfs/dbraw/zinc/71/46/18/919714618.db2.gz NAUMTGKYWHXBMH-UHFFFAOYSA-N -1 0 422.462 4.466 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000511730955 920396437 /nfs/dbraw/zinc/39/64/37/920396437.db2.gz VKZGLPUFWPOOSP-UHFFFAOYSA-N -1 0 408.435 4.158 20 30 HIEDRM N#CC(=C([O-])c1ccc(I)c(F)c1)c1nc2ccccc2o1 ZINC000511763213 920444810 /nfs/dbraw/zinc/44/48/10/920444810.db2.gz QOJWBPBUBNIWSO-JTQLQIEISA-N -1 0 406.154 4.062 20 30 HIEDRM COc1ccccc1OCc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)o1 ZINC000513692905 922014546 /nfs/dbraw/zinc/01/45/46/922014546.db2.gz WRHNHOLXWMDFJC-INIZCTEOSA-N -1 0 401.422 4.244 20 30 HIEDRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)cc1 ZINC000513815320 922139298 /nfs/dbraw/zinc/13/92/98/922139298.db2.gz RICIJJQJZQWQMT-UHFFFAOYSA-N -1 0 422.462 4.246 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)sc1C(F)(F)F ZINC000515312470 923044547 /nfs/dbraw/zinc/04/45/47/923044547.db2.gz MVKKDVBCVZZMOC-UHFFFAOYSA-N -1 0 415.340 4.162 20 30 HIEDRM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2)ccn1 ZINC000516123760 923558111 /nfs/dbraw/zinc/55/81/11/923558111.db2.gz LFYRLJHTWIJIQJ-UHFFFAOYSA-N -1 0 402.435 4.095 20 30 HIEDRM CC(C)n1ncc2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cnc21 ZINC000516269893 923638185 /nfs/dbraw/zinc/63/81/85/923638185.db2.gz CHQGWKBOYHXGSE-GOSISDBHSA-N -1 0 412.478 4.497 20 30 HIEDRM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1nc(-c2ccncc2)cs1 ZINC000517891164 926877631 /nfs/dbraw/zinc/87/76/31/926877631.db2.gz IFAFJMPIOXOIGG-KRWDZBQOSA-N -1 0 422.473 4.405 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(-c3cccs3)nc2C)n1 ZINC000517924498 926892168 /nfs/dbraw/zinc/89/21/68/926892168.db2.gz UEHGLCVBXIGMRM-JTQLQIEISA-N -1 0 403.510 4.303 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000518116963 927029296 /nfs/dbraw/zinc/02/92/96/927029296.db2.gz GKTCNMGFCCZXMB-UHFFFAOYSA-N -1 0 402.419 4.392 20 30 HIEDRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000518242273 927102563 /nfs/dbraw/zinc/10/25/63/927102563.db2.gz YWIAXQGRWKPSAF-GFCCVEGCSA-N -1 0 424.931 4.322 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3c2cnn3C(C)C)n1 ZINC000518664070 927415993 /nfs/dbraw/zinc/41/59/93/927415993.db2.gz GXLFSMQCCQRMKP-AWEZNQCLSA-N -1 0 423.498 4.013 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3c2cnn3C(C)C)n1 ZINC000518664071 927416244 /nfs/dbraw/zinc/41/62/44/927416244.db2.gz GXLFSMQCCQRMKP-CQSZACIVSA-N -1 0 423.498 4.013 20 30 HIEDRM Cc1ccc(-c2nn(CCC#N)cc2C([O-])=C(C#N)c2nc3ccccc3n2C)cc1C ZINC000518913088 927622156 /nfs/dbraw/zinc/62/21/56/927622156.db2.gz OTEQAZXEXQOZDN-IBGZPJMESA-N -1 0 422.492 4.457 20 30 HIEDRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000519400151 927923490 /nfs/dbraw/zinc/92/34/90/927923490.db2.gz YPJYAGLPRREGHS-LBPRGKRZSA-N -1 0 424.931 4.179 20 30 HIEDRM CCN(CC)c1nc2sc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2s1 ZINC000519899610 928135110 /nfs/dbraw/zinc/13/51/10/928135110.db2.gz XUAWPNIOALNBGP-LBPRGKRZSA-N -1 0 414.560 4.012 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000520186671 928374633 /nfs/dbraw/zinc/37/46/33/928374633.db2.gz QUZOHSOPEAMTKO-LBPRGKRZSA-N -1 0 424.931 4.306 20 30 HIEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000520432329 928561209 /nfs/dbraw/zinc/56/12/09/928561209.db2.gz ZSULWGHFZUNPPA-HNNXBMFYSA-N -1 0 411.433 4.214 20 30 HIEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c1 ZINC000520628541 928683759 /nfs/dbraw/zinc/68/37/59/928683759.db2.gz IBXWVSQHHLWRHA-UHFFFAOYSA-N -1 0 412.870 4.193 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2n1C(F)F ZINC000520921239 928875416 /nfs/dbraw/zinc/87/54/16/928875416.db2.gz VJAIOVPGZAVZEA-AWEZNQCLSA-N -1 0 422.351 4.015 20 30 HIEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1 ZINC000520925997 928877420 /nfs/dbraw/zinc/87/74/20/928877420.db2.gz IJTHGCPMTOSNIR-CQSZACIVSA-N -1 0 404.513 4.058 20 30 HIEDRM Cc1nn(C)c2nc(C)c(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 ZINC000521261635 929087430 /nfs/dbraw/zinc/08/74/30/929087430.db2.gz WUSSJWXPIJJBCX-CQSZACIVSA-N -1 0 423.448 4.477 20 30 HIEDRM Cc1nn(C)c2nc(C)c(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 ZINC000521261632 929087620 /nfs/dbraw/zinc/08/76/20/929087620.db2.gz WUSSJWXPIJJBCX-AWEZNQCLSA-N -1 0 423.448 4.477 20 30 HIEDRM CCc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])cn2)c1 ZINC000524966857 929932005 /nfs/dbraw/zinc/93/20/05/929932005.db2.gz ZEAXTHVUZCXXSG-UHFFFAOYSA-N -1 0 424.438 4.017 20 30 HIEDRM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000525327546 930164934 /nfs/dbraw/zinc/16/49/34/930164934.db2.gz VLGCBNHWPAHEGI-GOSISDBHSA-N -1 0 415.478 4.265 20 30 HIEDRM Cc1cnn([C@H]2CCCc3ccccc32)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000525435055 930237909 /nfs/dbraw/zinc/23/79/09/930237909.db2.gz ISYVPBRQIBAZQN-FQEVSTJZSA-N -1 0 406.511 4.098 20 30 HIEDRM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000525514294 930294955 /nfs/dbraw/zinc/29/49/55/930294955.db2.gz OOYXEDWSBBAKRU-LJQANCHMSA-N -1 0 414.490 4.312 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c1 ZINC000531012214 930884533 /nfs/dbraw/zinc/88/45/33/930884533.db2.gz HERMSOHSTJAHIM-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM Cc1cc(S(C)(=O)=O)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1C ZINC000534693238 932663659 /nfs/dbraw/zinc/66/36/59/932663659.db2.gz WFJGWRGABOIHNY-GOSISDBHSA-N -1 0 410.520 4.321 20 30 HIEDRM N#CC(=C([O-])c1csc([C@H]2CCCO2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000535206752 933014407 /nfs/dbraw/zinc/01/44/07/933014407.db2.gz SHEBUGMAQGUBBI-RHSMWYFYSA-N -1 0 406.492 4.480 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ncccc2Cl)c1C(F)F)c1nc2ccccc2o1 ZINC000535377439 933101832 /nfs/dbraw/zinc/10/18/32/933101832.db2.gz JTRAHGVDIJJWEQ-JTQLQIEISA-N -1 0 413.771 4.490 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccccn2)c1C(F)(F)F)c1nc2ccccc2s1 ZINC000535385725 933106949 /nfs/dbraw/zinc/10/69/49/933106949.db2.gz NRDABUCKGIGRKM-NSHDSACASA-N -1 0 413.384 4.386 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535890565 933471909 /nfs/dbraw/zinc/47/19/09/933471909.db2.gz CQUBJHJBLUJKOH-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)n2)cc1 ZINC000562487929 945088908 /nfs/dbraw/zinc/08/89/08/945088908.db2.gz UOLJRJUEPWFYEG-UHFFFAOYSA-N -1 0 407.879 4.416 20 30 HIEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)cc1 ZINC000538002190 938458232 /nfs/dbraw/zinc/45/82/32/938458232.db2.gz JKGHQQCBEWDOBJ-UHFFFAOYSA-N -1 0 413.524 4.194 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1ccc(Cl)cc1Cl ZINC000538486387 938632840 /nfs/dbraw/zinc/63/28/40/938632840.db2.gz ISWNACPZISWORL-AWEZNQCLSA-N -1 0 400.269 4.384 20 30 HIEDRM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)c2)o1 ZINC000539585267 938883892 /nfs/dbraw/zinc/88/38/92/938883892.db2.gz JTYQQXLLSUGJSO-KRWDZBQOSA-N -1 0 416.462 4.497 20 30 HIEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Nc1ccc(F)cc1 ZINC000540696374 939342224 /nfs/dbraw/zinc/34/22/24/939342224.db2.gz NIYNAMQUMWQMNL-UHFFFAOYSA-N -1 0 412.402 4.150 20 30 HIEDRM CCc1nc2cc(S(=O)(=O)[N-]c3ncc(Cc4ccc(C#N)cc4)s3)ccc2o1 ZINC000541084945 939454304 /nfs/dbraw/zinc/45/43/04/939454304.db2.gz RTTDIDJGXSSKQX-UHFFFAOYSA-N -1 0 424.507 4.110 20 30 HIEDRM N#Cc1cc(Cl)ccc1-n1ccc([N-]S(=O)(=O)c2cccc3ccccc32)n1 ZINC000542057178 939700752 /nfs/dbraw/zinc/70/07/52/939700752.db2.gz UNODEHYJZIOHIC-UHFFFAOYSA-N -1 0 408.870 4.351 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1C#N ZINC000542624951 939849918 /nfs/dbraw/zinc/84/99/18/939849918.db2.gz SLKURQWFZVQTNS-ZDUSSCGKSA-N -1 0 422.535 4.362 20 30 HIEDRM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000546087767 940695487 /nfs/dbraw/zinc/69/54/87/940695487.db2.gz HLRVXJVFOBSNGE-UHFFFAOYSA-N -1 0 415.696 4.092 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc4c(cc3OC)OCO4)n2)cc1 ZINC000546861835 940897315 /nfs/dbraw/zinc/89/73/15/940897315.db2.gz PTOBTDVQPGCLKP-HNNXBMFYSA-N -1 0 408.435 4.046 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnc1N1CCCC[C@H]1C ZINC000547271888 941049743 /nfs/dbraw/zinc/04/97/43/941049743.db2.gz BERBNENYESRXJP-CQSZACIVSA-N -1 0 404.923 4.095 20 30 HIEDRM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000551469574 941486201 /nfs/dbraw/zinc/48/62/01/941486201.db2.gz DTSJBQORJBOESZ-GFCCVEGCSA-N -1 0 424.931 4.322 20 30 HIEDRM Cc1nn(C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)c12 ZINC000561902391 944846826 /nfs/dbraw/zinc/84/68/26/944846826.db2.gz QFVFZSZQEMOHCN-MRXNPFEDSA-N -1 0 414.494 4.163 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000565981964 945961138 /nfs/dbraw/zinc/96/11/38/945961138.db2.gz YUJBNEQAPRIYOS-GOSISDBHSA-N -1 0 406.463 4.485 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)cc1C#N ZINC000569143726 946821916 /nfs/dbraw/zinc/82/19/16/946821916.db2.gz JCPHUFZYRQWAHP-UHFFFAOYSA-N -1 0 410.474 4.021 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c[nH]nc3-c3ccccn3)n2)cc1 ZINC000573495048 948219139 /nfs/dbraw/zinc/21/91/39/948219139.db2.gz LCKNWIKVJPCUFS-OAHLLOKOSA-N -1 0 401.451 4.094 20 30 HIEDRM COc1ccc2cc([C@H](C)C(=O)OCC([O-])=C(C#N)c3nc(C)cs3)ccc2c1 ZINC000007832615 845424744 /nfs/dbraw/zinc/42/47/44/845424744.db2.gz MOCWKVQPVCTHKT-IFXJQAMLSA-N -1 0 408.479 4.137 20 30 HIEDRM COc1ccc2cc([C@H](C)C(=O)OCC([O-])=C(C#N)c3nc(C)cs3)ccc2c1 ZINC000007832614 845425056 /nfs/dbraw/zinc/42/50/56/845425056.db2.gz MOCWKVQPVCTHKT-LIRRHRJNSA-N -1 0 408.479 4.137 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CSc2ccc(C(C)(C)C)cc2)n1 ZINC000012961367 845899962 /nfs/dbraw/zinc/89/99/62/845899962.db2.gz LXAICSFQUJAIAG-MRXNPFEDSA-N -1 0 402.541 4.261 20 30 HIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000020302164 846381855 /nfs/dbraw/zinc/38/18/55/846381855.db2.gz SZUVLRWRTANCIF-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM C=CCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccc(Cl)cc1 ZINC000021456033 846447625 /nfs/dbraw/zinc/44/76/25/846447625.db2.gz LHHXETOUNGSMMW-UHFFFAOYSA-N -1 0 415.931 4.375 20 30 HIEDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3cccc(Br)c3C#N)cc21 ZINC000436475632 861818685 /nfs/dbraw/zinc/81/86/85/861818685.db2.gz HFDOIHVODXGFDL-UHFFFAOYSA-N -1 0 419.304 4.052 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCc4ccccc43)cc2[n-]c1=S ZINC000030691132 847759940 /nfs/dbraw/zinc/75/99/40/847759940.db2.gz HYRXVSGEDQKGLM-KRWDZBQOSA-N -1 0 405.523 4.095 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)cc1C#N ZINC000031906653 847963722 /nfs/dbraw/zinc/96/37/22/847963722.db2.gz VMXUIWNBPXLBKG-FQEVSTJZSA-N -1 0 401.491 4.169 20 30 HIEDRM N#CC(=C([O-])c1nc(-c2cccs2)n(-c2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000041494800 848221612 /nfs/dbraw/zinc/22/16/12/848221612.db2.gz UHOJRVBRCXPBBA-OAHLLOKOSA-N -1 0 410.462 4.362 20 30 HIEDRM CC(=O)c1ccc([O-])c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC000436642856 861879907 /nfs/dbraw/zinc/87/99/07/861879907.db2.gz CKGXHDFZXATNEA-UHFFFAOYSA-N -1 0 411.889 4.365 20 30 HIEDRM N#C[C@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)C1CCCCC1 ZINC000436663411 861886487 /nfs/dbraw/zinc/88/64/87/861886487.db2.gz LRRCZSNQYSXQQE-ZDUSSCGKSA-N -1 0 416.113 4.119 20 30 HIEDRM C=C[C@](C)(O)CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000436665555 861887229 /nfs/dbraw/zinc/88/72/29/861887229.db2.gz MYUXRDGHPONOFJ-IBGZPJMESA-N -1 0 409.269 4.217 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c([N+](=O)[O-])cc1OC(F)F ZINC000048855483 849275950 /nfs/dbraw/zinc/27/59/50/849275950.db2.gz OCFFJJRXLCIQTK-CYBMUJFWSA-N -1 0 413.336 4.243 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)cs1 ZINC000051534552 849481460 /nfs/dbraw/zinc/48/14/60/849481460.db2.gz SGVWPMYCMVZVAP-KRWDZBQOSA-N -1 0 415.434 4.394 20 30 HIEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436869074 862045635 /nfs/dbraw/zinc/04/56/35/862045635.db2.gz KZNSVOCPFSIWDE-UHFFFAOYSA-N -1 0 405.385 4.154 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)ccc1Cl ZINC000055591875 850067391 /nfs/dbraw/zinc/06/73/91/850067391.db2.gz NIEKREJXVRPJHC-UHFFFAOYSA-N -1 0 410.842 4.071 20 30 HIEDRM C=CCc1cc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1O ZINC000436941383 862120637 /nfs/dbraw/zinc/12/06/37/862120637.db2.gz PPNWZIGNEAFVNW-GZTJUZNOSA-N -1 0 416.477 4.362 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000058704905 850896379 /nfs/dbraw/zinc/89/63/79/850896379.db2.gz DIKLJRPLTHQTQG-UHFFFAOYSA-N -1 0 400.463 4.212 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000058704907 850896565 /nfs/dbraw/zinc/89/65/65/850896565.db2.gz NLUMSPLRXDNNPF-UHFFFAOYSA-N -1 0 400.463 4.212 20 30 HIEDRM Cc1ccc(-c2ncc(C(=O)[N-]S(=O)(=O)N(C)Cc3ccccc3)s2)c(C)c1 ZINC000061067567 851287727 /nfs/dbraw/zinc/28/77/27/851287727.db2.gz QTTGJHHSPPSRHR-UHFFFAOYSA-N -1 0 415.540 4.108 20 30 HIEDRM CCN(CC)c1nc2sc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2s1 ZINC000064102205 851828036 /nfs/dbraw/zinc/82/80/36/851828036.db2.gz XUAWPNIOALNBGP-GFCCVEGCSA-N -1 0 414.560 4.012 20 30 HIEDRM Cc1ccc(OCc2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)o2)c(C)c1 ZINC000064102184 851828077 /nfs/dbraw/zinc/82/80/77/851828077.db2.gz SBIBVJLLIHOZQU-SFHVURJKSA-N -1 0 404.470 4.283 20 30 HIEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000064477360 851907882 /nfs/dbraw/zinc/90/78/82/851907882.db2.gz FMPSBSNWSUQOQV-UHFFFAOYSA-N -1 0 422.462 4.246 20 30 HIEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1nc(-c2c(F)cccc2F)cs1 ZINC000064715130 851964584 /nfs/dbraw/zinc/96/45/84/851964584.db2.gz OWNBHYVVGPHTMB-ZDUSSCGKSA-N -1 0 407.401 4.420 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)nnn1-c1ccccc1 ZINC000064715416 851964939 /nfs/dbraw/zinc/96/49/39/851964939.db2.gz DWFOGWYXLACRAJ-CQSZACIVSA-N -1 0 421.432 4.468 20 30 HIEDRM COc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000064715488 851964997 /nfs/dbraw/zinc/96/49/97/851964997.db2.gz ASJAGLMPXDPFRV-GFCCVEGCSA-N -1 0 415.377 4.495 20 30 HIEDRM N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cc(Br)c([O-])c(Br)c1 ZINC000137310731 853376565 /nfs/dbraw/zinc/37/65/65/853376565.db2.gz PUSWSSRHOHAWKR-JYOAFUTRSA-N -1 0 420.060 4.282 20 30 HIEDRM O=S(=O)([N-]c1ccc(F)cc1OC(F)F)c1ccc(F)cc1C(F)(F)F ZINC000303975469 855332856 /nfs/dbraw/zinc/33/28/56/855332856.db2.gz VJCKLFIOEQICHA-UHFFFAOYSA-N -1 0 403.275 4.386 20 30 HIEDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000409870837 855698333 /nfs/dbraw/zinc/69/83/33/855698333.db2.gz POFPHNDCGLLIIK-UHFFFAOYSA-N -1 0 409.423 4.368 20 30 HIEDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)nc2cc1F ZINC000410328938 855931488 /nfs/dbraw/zinc/93/14/88/855931488.db2.gz PDVFPNHKIUSALU-UHFFFAOYSA-N -1 0 415.393 4.435 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)cc1F ZINC000427112805 856645039 /nfs/dbraw/zinc/64/50/39/856645039.db2.gz CRNLSRMNXFBMFM-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427118710 856649202 /nfs/dbraw/zinc/64/92/02/856649202.db2.gz ANNFLOILEYDGIZ-UHFFFAOYSA-N -1 0 413.430 4.003 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(CC(C)C)c2-c2ccccc2)n1 ZINC000429111833 857514204 /nfs/dbraw/zinc/51/42/04/857514204.db2.gz GJNXKIAYQQAEKA-INIZCTEOSA-N -1 0 422.510 4.329 20 30 HIEDRM CCOc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000429112213 857514759 /nfs/dbraw/zinc/51/47/59/857514759.db2.gz GLDUGWBVVSUBEM-NSHDSACASA-N -1 0 403.282 4.403 20 30 HIEDRM Cc1nc(Cc2ccc(F)cc2)sc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000429575311 857761547 /nfs/dbraw/zinc/76/15/47/857761547.db2.gz JIYXXPMXNXGUBV-OAHLLOKOSA-N -1 0 405.458 4.251 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1-c1cccc2cnccc21 ZINC000430607516 858234973 /nfs/dbraw/zinc/23/49/73/858234973.db2.gz YWYRTJLHYSYVCY-INIZCTEOSA-N -1 0 416.510 4.368 20 30 HIEDRM CC(C)Oc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430608176 858235594 /nfs/dbraw/zinc/23/55/94/858235594.db2.gz DRLAGQDXUXLLSU-OAHLLOKOSA-N -1 0 420.556 4.121 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)o1 ZINC000431170436 858484753 /nfs/dbraw/zinc/48/47/53/858484753.db2.gz XQYOKQXZHSBJEV-YYXFOKPRSA-N -1 0 410.495 4.481 20 30 HIEDRM N#Cc1ccc(CSc2nnc([N-]S(=O)(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000431335699 858570940 /nfs/dbraw/zinc/57/09/40/858570940.db2.gz DZPZQDLPISMAQW-UHFFFAOYSA-N -1 0 422.944 4.156 20 30 HIEDRM Cc1noc(-c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000432470021 859179305 /nfs/dbraw/zinc/17/93/05/859179305.db2.gz GKYSJJPUFHVFKC-UHFFFAOYSA-N -1 0 422.388 4.045 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Br)sc2Cl)ccc1Cl ZINC000433606291 859806739 /nfs/dbraw/zinc/80/67/39/859806739.db2.gz YIBKHIXBQKMGGP-UHFFFAOYSA-N -1 0 412.117 4.490 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1C#N ZINC000435140893 860661708 /nfs/dbraw/zinc/66/17/08/860661708.db2.gz WMSPOWMXSQRKMO-UHFFFAOYSA-N -1 0 400.378 4.045 20 30 HIEDRM COc1cc(OC)cc(Oc2ccc(C=C(C)c3nc(C)c(C#N)c(=O)[n-]3)cc2)c1 ZINC000435335328 860745754 /nfs/dbraw/zinc/74/57/54/860745754.db2.gz HILNKCXVUNJPBO-NTEUORMPSA-N -1 0 403.438 4.320 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435501196 860824106 /nfs/dbraw/zinc/82/41/06/860824106.db2.gz KOXFJLMWOMGGGF-UHFFFAOYSA-N -1 0 409.492 4.066 20 30 HIEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000438721860 864204823 /nfs/dbraw/zinc/20/48/23/864204823.db2.gz GOBZPRAVOLLNEK-UHFFFAOYSA-N -1 0 413.386 4.199 20 30 HIEDRM Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)c[nH]1 ZINC000438755089 864247576 /nfs/dbraw/zinc/24/75/76/864247576.db2.gz DWELGZGACZONLZ-UHFFFAOYSA-N -1 0 422.388 4.202 20 30 HIEDRM CCOc1cc(-c2noc(-c3ccc(C#N)cc3C)n2)cc(Br)c1O ZINC000439011548 864463437 /nfs/dbraw/zinc/46/34/37/864463437.db2.gz ZHNGCFWVZFESNE-UHFFFAOYSA-N -1 0 400.232 4.451 20 30 HIEDRM N#Cc1cccc(COc2ccc(NC(=O)c3nn(-c4ccccc4)cc3[O-])cc2)c1 ZINC000439218402 864636314 /nfs/dbraw/zinc/63/63/14/864636314.db2.gz VHWGNGUSLBGMNE-UHFFFAOYSA-N -1 0 410.433 4.281 20 30 HIEDRM N#CCC[C@@H](NC(=O)N=c1nc(SCc2ccccc2)[n-]s1)c1ccccc1 ZINC000439478138 864845418 /nfs/dbraw/zinc/84/54/18/864845418.db2.gz LUDUFMCHPHOIEZ-QGZVFWFLSA-N -1 0 409.540 4.419 20 30 HIEDRM C=C(C)C[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000439932091 865233175 /nfs/dbraw/zinc/23/31/75/865233175.db2.gz WJGNJUAUVJYVPC-KZULUSFZSA-N -1 0 423.435 4.352 20 30 HIEDRM N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000468064301 881882801 /nfs/dbraw/zinc/88/28/01/881882801.db2.gz JOVYAMZZOHOPIN-UHFFFAOYSA-N -1 0 414.446 4.305 20 30 HIEDRM CCc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C(=O)[O-] ZINC000440825881 865940918 /nfs/dbraw/zinc/94/09/18/865940918.db2.gz XCDVPZIDGHAOTO-UHFFFAOYSA-N -1 0 422.462 4.412 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)c(C)sc2Br)n1 ZINC000442521287 867497233 /nfs/dbraw/zinc/49/72/33/867497233.db2.gz LYHFLTXOSOBELW-VIFPVBQESA-N -1 0 413.318 4.251 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442813176 867684615 /nfs/dbraw/zinc/68/46/15/867684615.db2.gz GDOQGJNWZBXZQY-LLVKDONJSA-N -1 0 401.435 4.153 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000443358950 867925758 /nfs/dbraw/zinc/92/57/58/867925758.db2.gz RMRYYUQZZCSOLA-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)c1 ZINC000443375159 867937048 /nfs/dbraw/zinc/93/70/48/867937048.db2.gz REPJSGBVFKFWSP-UHFFFAOYSA-N -1 0 420.313 4.245 20 30 HIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)OCCO2 ZINC000443421563 868005336 /nfs/dbraw/zinc/00/53/36/868005336.db2.gz XVBSCFXKVMPCGL-UHFFFAOYSA-N -1 0 424.316 4.140 20 30 HIEDRM COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000468381336 882324759 /nfs/dbraw/zinc/32/47/59/882324759.db2.gz XHTYSWRWKLJFKP-NSHDSACASA-N -1 0 415.298 4.080 20 30 HIEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000446611828 870515843 /nfs/dbraw/zinc/51/58/43/870515843.db2.gz AJUJCOZCPDEJED-UHFFFAOYSA-N -1 0 402.419 4.108 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2cc(Br)sc2C)sc1SCC#N ZINC000446719464 870635741 /nfs/dbraw/zinc/63/57/41/870635741.db2.gz ILUSFWRBLVULGD-UHFFFAOYSA-N -1 0 424.392 4.000 20 30 HIEDRM N#C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccc(Cl)c1Cl ZINC000468605914 882708016 /nfs/dbraw/zinc/70/80/16/882708016.db2.gz METCLKYQXNWEHK-ZDUSSCGKSA-N -1 0 405.216 4.018 20 30 HIEDRM Cc1cn(-c2ccc(C#N)cn2)nc1[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000460777418 873629329 /nfs/dbraw/zinc/62/93/29/873629329.db2.gz LTNWFTMKVOLKKF-UHFFFAOYSA-N -1 0 421.526 4.296 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c(Cl)c1Cl ZINC000460842089 873732337 /nfs/dbraw/zinc/73/23/37/873732337.db2.gz WTBNOTJQEGYQAU-UHFFFAOYSA-N -1 0 415.298 4.462 20 30 HIEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000462082601 875192188 /nfs/dbraw/zinc/19/21/88/875192188.db2.gz HNKUXNSCQYJIMI-MRXNPFEDSA-N -1 0 411.405 4.002 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462106677 875213142 /nfs/dbraw/zinc/21/31/42/875213142.db2.gz YHLGIPFZJLJLBK-UHFFFAOYSA-N -1 0 414.314 4.496 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)ccc1Cl ZINC000468908387 882964608 /nfs/dbraw/zinc/96/46/08/882964608.db2.gz JUYCHJMNYYUWIU-UHFFFAOYSA-N -1 0 416.871 4.277 20 30 HIEDRM COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)ccc1OC(C)C ZINC000463784195 876903020 /nfs/dbraw/zinc/90/30/20/876903020.db2.gz DRORQDLGPADAJU-UHFFFAOYSA-N -1 0 414.405 4.174 20 30 HIEDRM CCCNc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000463786144 876904342 /nfs/dbraw/zinc/90/43/42/876904342.db2.gz GZYKYYKGZCAEDM-UHFFFAOYSA-N -1 0 413.421 4.208 20 30 HIEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c2ncccc12 ZINC000463795208 876913726 /nfs/dbraw/zinc/91/37/26/876913726.db2.gz WGKJWBWZSYQOMI-UHFFFAOYSA-N -1 0 421.400 4.325 20 30 HIEDRM COc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000463798491 876915991 /nfs/dbraw/zinc/91/59/91/876915991.db2.gz MCCRQJRSMHXUAT-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c(Cl)c1 ZINC000469045525 883116436 /nfs/dbraw/zinc/11/64/36/883116436.db2.gz SMOPPYSJJQUQGP-UHFFFAOYSA-N -1 0 416.871 4.277 20 30 HIEDRM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464402407 877604029 /nfs/dbraw/zinc/60/40/29/877604029.db2.gz DTLCESINCPMLEM-LLVKDONJSA-N -1 0 414.181 4.065 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1c(F)cccc1F ZINC000464412331 877618064 /nfs/dbraw/zinc/61/80/64/877618064.db2.gz RNMQYQWXWFVNIV-LBPRGKRZSA-N -1 0 406.314 4.363 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccccc1OC ZINC000464421111 877630862 /nfs/dbraw/zinc/63/08/62/877630862.db2.gz RVZZVUZRRQWZHN-AWEZNQCLSA-N -1 0 414.387 4.347 20 30 HIEDRM N#CC(=C([O-])c1nnn(-c2ccc(F)cc2)c1C(F)(F)F)c1nc2ccccc2o1 ZINC000503401422 912380289 /nfs/dbraw/zinc/38/02/89/912380289.db2.gz BWGZRNNQHKCKOD-GFCCVEGCSA-N -1 0 415.306 4.056 20 30 HIEDRM N#CC(=C([O-])c1cn(Cc2cccc(F)c2)nn1)c1nc2cc(Cl)ccc2s1 ZINC000469545229 883808572 /nfs/dbraw/zinc/80/85/72/883808572.db2.gz QZIDJUKFKLXISW-CQSZACIVSA-N -1 0 411.849 4.219 20 30 HIEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cccc1Oc1ccccc1 ZINC000471113955 885650319 /nfs/dbraw/zinc/65/03/19/885650319.db2.gz QVEUITDSTBRUIM-UHFFFAOYSA-N -1 0 413.386 4.199 20 30 HIEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(Br)cc(Cl)c2[O-])cc1 ZINC000472441802 887291725 /nfs/dbraw/zinc/29/17/25/887291725.db2.gz CPQAUWDCZCQUTR-LBPRGKRZSA-N -1 0 404.651 4.001 20 30 HIEDRM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000473472941 888196620 /nfs/dbraw/zinc/19/66/20/888196620.db2.gz SITRSQVALAQAPQ-CQSZACIVSA-N -1 0 418.540 4.224 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nc(-c2ccncc2)cs1 ZINC000473493486 888215181 /nfs/dbraw/zinc/21/51/81/888215181.db2.gz VYZYXUUMKJOEDH-KRWDZBQOSA-N -1 0 412.478 4.358 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1ccc(OC(C)C)cc1 ZINC000474420262 889283455 /nfs/dbraw/zinc/28/34/55/889283455.db2.gz DSCNQMLCGNEIHS-KRWDZBQOSA-N -1 0 409.515 4.433 20 30 HIEDRM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1ccc(C(F)(F)F)cn1 ZINC000475787876 890727781 /nfs/dbraw/zinc/72/77/81/890727781.db2.gz ORUIDYFBQGJAJM-UHFFFAOYSA-N -1 0 417.306 4.015 20 30 HIEDRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000476764275 891737302 /nfs/dbraw/zinc/73/73/02/891737302.db2.gz LQUDLQLCSPJEEV-UHFFFAOYSA-N -1 0 411.405 4.441 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2N2CCc3ccccc32)cc1C#N ZINC000476786079 891766590 /nfs/dbraw/zinc/76/65/90/891766590.db2.gz DQSAGGIUAWOXNO-UHFFFAOYSA-N -1 0 402.479 4.327 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c(F)c1 ZINC000478538089 893838193 /nfs/dbraw/zinc/83/81/93/893838193.db2.gz XBNUVJPAMKULJI-MRXNPFEDSA-N -1 0 410.426 4.234 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2nc(-c3cc4ccccc4o3)cs2)cc1C#N ZINC000478885810 894165244 /nfs/dbraw/zinc/16/52/44/894165244.db2.gz SAVNTZUPGIKETB-UHFFFAOYSA-N -1 0 422.491 4.180 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1C#N ZINC000479524160 894833934 /nfs/dbraw/zinc/83/39/34/894833934.db2.gz HGRBRBWNMJBDDZ-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1cccc(F)c1 ZINC000479561454 894858772 /nfs/dbraw/zinc/85/87/72/894858772.db2.gz DTIHMYYTSUDVHB-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1cccc(C)c1 ZINC000480231361 895635783 /nfs/dbraw/zinc/63/57/83/895635783.db2.gz RURGMVRJRQCJJK-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1ccccc1Cl ZINC000480243507 895654856 /nfs/dbraw/zinc/65/48/56/895654856.db2.gz DYJACDDZZNBZQT-UHFFFAOYSA-N -1 0 421.309 4.414 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000481587539 896966164 /nfs/dbraw/zinc/96/61/64/896966164.db2.gz PVKGVBATAUUNQB-NSHDSACASA-N -1 0 401.435 4.295 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c(C(F)(F)F)c1 ZINC000481970494 897361945 /nfs/dbraw/zinc/36/19/45/897361945.db2.gz IMBMZHRZMPTPML-UHFFFAOYSA-N -1 0 414.380 4.448 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1)c1cnc2ccccc2n1 ZINC000483206768 898859918 /nfs/dbraw/zinc/85/99/18/898859918.db2.gz DEFIBRXBPHYBAC-CQSZACIVSA-N -1 0 401.407 4.152 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])cc1 ZINC000485676476 900927812 /nfs/dbraw/zinc/92/78/12/900927812.db2.gz WUGYGJLKXONYFZ-MRXNPFEDSA-N -1 0 424.522 4.318 20 30 HIEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1 ZINC000488295989 902757622 /nfs/dbraw/zinc/75/76/22/902757622.db2.gz MKWWNSSQESDQSE-SFHVURJKSA-N -1 0 420.918 4.155 20 30 HIEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488429505 902823750 /nfs/dbraw/zinc/82/37/50/902823750.db2.gz CPAIHVKKQPTCKL-INIZCTEOSA-N -1 0 424.881 4.099 20 30 HIEDRM CCN(CCC#N)C(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000490097071 903768968 /nfs/dbraw/zinc/76/89/68/903768968.db2.gz SIHLGOQDTQOLBP-UHFFFAOYSA-N -1 0 413.543 4.097 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)sc1SCC#N ZINC000494147553 905485339 /nfs/dbraw/zinc/48/53/39/905485339.db2.gz DJSFLQRGURCEBG-UHFFFAOYSA-N -1 0 408.357 4.316 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nc1C ZINC000512488743 921195100 /nfs/dbraw/zinc/19/51/00/921195100.db2.gz KTVGWGUQWXYTSJ-QGZVFWFLSA-N -1 0 416.462 4.052 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3csc(-c4cnn(C)c4)n3)n2)cc1 ZINC000512503714 921203970 /nfs/dbraw/zinc/20/39/70/921203970.db2.gz LLZBQOKIFYIDOB-OAHLLOKOSA-N -1 0 421.507 4.166 20 30 HIEDRM Cc1nn(C)c(-n2cccn2)c1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000495141837 906268130 /nfs/dbraw/zinc/26/81/30/906268130.db2.gz RABFLBFFAVGLBO-OAHLLOKOSA-N -1 0 422.901 4.181 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000512539573 921223408 /nfs/dbraw/zinc/22/34/08/921223408.db2.gz FNVYILIWFHHAEE-UHFFFAOYSA-N -1 0 405.366 4.225 20 30 HIEDRM Cc1cc(C(C#N)=C([O-])c2coc(-c3ccc(Br)cc3F)n2)nc(C)n1 ZINC000496129249 906612878 /nfs/dbraw/zinc/61/28/78/906612878.db2.gz LPJWPHTZMYFKMI-CYBMUJFWSA-N -1 0 415.222 4.140 20 30 HIEDRM CC1(C)C(=O)Nc2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc21 ZINC000497368655 906858177 /nfs/dbraw/zinc/85/81/77/906858177.db2.gz XUNZQLFFTZKWNE-INIZCTEOSA-N -1 0 412.474 4.402 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)c(C)c1C(=O)[O-] ZINC000512752943 921301868 /nfs/dbraw/zinc/30/18/68/921301868.db2.gz SXAVJWINQJNJLF-ZDUSSCGKSA-N -1 0 404.513 4.197 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1C#N ZINC000497878742 907354387 /nfs/dbraw/zinc/35/43/87/907354387.db2.gz BNKKSJBSIMTDOR-UHFFFAOYSA-N -1 0 408.508 4.245 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c(Cl)c1 ZINC000502491045 911488416 /nfs/dbraw/zinc/48/84/16/911488416.db2.gz WNTLCTOEAKDYNR-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c(Cl)c1 ZINC000502796056 911818082 /nfs/dbraw/zinc/81/80/82/911818082.db2.gz QLRLFIIWTGRBIF-UHFFFAOYSA-N -1 0 402.859 4.322 20 30 HIEDRM N#CCc1ccc(OCc2cccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])c2)cc1 ZINC000506648665 915319256 /nfs/dbraw/zinc/31/92/56/915319256.db2.gz NRTHZHMECWYSED-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2sc(-c3ccccc3)nc2C)cc1C#N ZINC000507510118 916274694 /nfs/dbraw/zinc/27/46/94/916274694.db2.gz NOZQFEFHFBNTNM-NSHDSACASA-N -1 0 410.524 4.304 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nc(C(F)F)sc3c2)c(F)c1 ZINC000507581118 916335096 /nfs/dbraw/zinc/33/50/96/916335096.db2.gz FZMCLSLHCYQSCX-UHFFFAOYSA-N -1 0 401.366 4.185 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1C#N ZINC000507819562 916615564 /nfs/dbraw/zinc/61/55/64/916615564.db2.gz UZWLGSZGKFQADP-SFHVURJKSA-N -1 0 424.913 4.143 20 30 HIEDRM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccc(F)c(F)c1F ZINC000507885362 916728862 /nfs/dbraw/zinc/72/88/62/916728862.db2.gz DIBDVLUAXYVJAI-NSHDSACASA-N -1 0 401.303 4.215 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)nc2ccccc12 ZINC000508111332 916927690 /nfs/dbraw/zinc/92/76/90/916927690.db2.gz IVOZHCAVPFLSCP-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM C=CCn1c([C@@H](CC)c2ccccc2)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000508984961 917738320 /nfs/dbraw/zinc/73/83/20/917738320.db2.gz FCZODSHHUJRUSA-INIZCTEOSA-N -1 0 420.542 4.353 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000509253029 917946890 /nfs/dbraw/zinc/94/68/90/917946890.db2.gz FGSCBHGAMSIAOQ-UHFFFAOYSA-N -1 0 418.828 4.343 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)c1 ZINC000509376377 918042101 /nfs/dbraw/zinc/04/21/01/918042101.db2.gz QIQHWXOHYZMHFY-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000509385378 918050110 /nfs/dbraw/zinc/05/01/10/918050110.db2.gz IGSOBIXBNSVSCW-UHFFFAOYSA-N -1 0 402.291 4.368 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(OCC(F)(F)F)c1 ZINC000511737846 920408722 /nfs/dbraw/zinc/40/87/22/920408722.db2.gz MOUSMFVXXUAETP-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM O=C([N-][C@H](C1CC1)C(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000511749585 920427799 /nfs/dbraw/zinc/42/77/99/920427799.db2.gz CNNUFGALVJZGRN-SNVBAGLBSA-N -1 0 422.247 4.120 20 30 HIEDRM Cc1c(Br)cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000511869342 920596373 /nfs/dbraw/zinc/59/63/73/920596373.db2.gz QQNMPNWRWSXZKX-GFCCVEGCSA-N -1 0 413.231 4.043 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(NC(=O)C4CC4)c3)n2)cc1 ZINC000513612395 921942814 /nfs/dbraw/zinc/94/28/14/921942814.db2.gz ZBISFFZAUDZBRM-KRWDZBQOSA-N -1 0 402.479 4.352 20 30 HIEDRM CSc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)n1-c1ccc(F)cc1 ZINC000513671002 921993295 /nfs/dbraw/zinc/99/32/95/921993295.db2.gz FMWOIGSJQYABHR-HNNXBMFYSA-N -1 0 405.458 4.110 20 30 HIEDRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000513812642 922137409 /nfs/dbraw/zinc/13/74/09/922137409.db2.gz ORMUVQLAIGMANW-UHFFFAOYSA-N -1 0 422.462 4.246 20 30 HIEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)c1 ZINC000513815618 922140347 /nfs/dbraw/zinc/14/03/47/922140347.db2.gz XYAPSJWDQUMIKL-UHFFFAOYSA-N -1 0 400.435 4.068 20 30 HIEDRM Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC000515438786 923098967 /nfs/dbraw/zinc/09/89/67/923098967.db2.gz SCLXQLYSJSEWFM-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1OCC(F)(F)F ZINC000515635091 923234455 /nfs/dbraw/zinc/23/44/55/923234455.db2.gz DRWFCJREOMAJNZ-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000517174186 924037174 /nfs/dbraw/zinc/03/71/74/924037174.db2.gz OCOQGHYAAXCEAV-UHFFFAOYSA-N -1 0 401.271 4.073 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc(Br)c2)n1)c1nc2ccccc2o1 ZINC000517386730 924150476 /nfs/dbraw/zinc/15/04/76/924150476.db2.gz UTVJTSPNVGWQAP-CQSZACIVSA-N -1 0 407.227 4.266 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(Cc3ccccc3)nc2C)n1 ZINC000517915355 926889241 /nfs/dbraw/zinc/88/92/41/926889241.db2.gz BRLKQOYUEFYFHP-AWEZNQCLSA-N -1 0 411.508 4.166 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1C(=O)[O-] ZINC000518242488 927103698 /nfs/dbraw/zinc/10/36/98/927103698.db2.gz AXOOCDZOXGRJTI-UHFFFAOYSA-N -1 0 408.435 4.158 20 30 HIEDRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000519400150 927924047 /nfs/dbraw/zinc/92/40/47/927924047.db2.gz YPJYAGLPRREGHS-GFCCVEGCSA-N -1 0 424.931 4.179 20 30 HIEDRM Cc1cc2ncc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)n2n1 ZINC000520427534 928559516 /nfs/dbraw/zinc/55/95/16/928559516.db2.gz NHDOWMKXDNAJGU-LBPRGKRZSA-N -1 0 409.421 4.238 20 30 HIEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1OC ZINC000521328358 929143981 /nfs/dbraw/zinc/14/39/81/929143981.db2.gz OLFCJAARWKWPRM-LBPRGKRZSA-N -1 0 410.492 4.038 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)n(-c2ccccc2)nc1C(C)(C)C ZINC000524725733 929811575 /nfs/dbraw/zinc/81/15/75/929811575.db2.gz LLOLACAPOBVTSO-UHFFFAOYSA-N -1 0 408.527 4.459 20 30 HIEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)nn1 ZINC000524932189 929897009 /nfs/dbraw/zinc/89/70/09/929897009.db2.gz SFZPXHLMMNROKV-LBPRGKRZSA-N -1 0 401.442 4.216 20 30 HIEDRM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 ZINC000525483139 930271467 /nfs/dbraw/zinc/27/14/67/930271467.db2.gz BRFJYBKKOYHVQF-ZDUSSCGKSA-N -1 0 405.501 4.466 20 30 HIEDRM N#CCc1ccnc(NC(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])c1 ZINC000532184220 931339305 /nfs/dbraw/zinc/33/93/05/931339305.db2.gz YABAJESAXKNNHZ-UHFFFAOYSA-N -1 0 422.659 4.251 20 30 HIEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)c1 ZINC000534238620 932358065 /nfs/dbraw/zinc/35/80/65/932358065.db2.gz LVPVVQIOQKCGIY-UHFFFAOYSA-N -1 0 421.194 4.020 20 30 HIEDRM COCCOc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nc2ccccc21 ZINC000534668694 932638277 /nfs/dbraw/zinc/63/82/77/932638277.db2.gz FOJOQFAEGZLRLO-HNNXBMFYSA-N -1 0 415.371 4.164 20 30 HIEDRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)c1C#N ZINC000538368032 938605212 /nfs/dbraw/zinc/60/52/12/938605212.db2.gz VNIJJJXSMCLACD-UHFFFAOYSA-N -1 0 403.660 4.223 20 30 HIEDRM COCCOc1ncccc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000538768183 938705767 /nfs/dbraw/zinc/70/57/67/938705767.db2.gz UQHPIIAMULJRGN-INIZCTEOSA-N -1 0 413.886 4.374 20 30 HIEDRM Cc1nnc(-c2ccc(C(=O)Nc3cccc(C#Cc4cccc(C(=O)[O-])c4)c3)cc2)o1 ZINC000539570957 938881504 /nfs/dbraw/zinc/88/15/04/938881504.db2.gz ZTGOBLSMIGXNBK-UHFFFAOYSA-N -1 0 423.428 4.395 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000539931698 938978772 /nfs/dbraw/zinc/97/87/72/938978772.db2.gz MHVAYYIEFKSMOF-UHFFFAOYSA-N -1 0 405.366 4.225 20 30 HIEDRM COc1cccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1[N+](=O)[O-] ZINC000563679452 945250674 /nfs/dbraw/zinc/25/06/74/945250674.db2.gz NLCRRDVGQWQAEU-NSHDSACASA-N -1 0 415.377 4.495 20 30 HIEDRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000544724812 940507828 /nfs/dbraw/zinc/50/78/28/940507828.db2.gz IWHMNFLPSNVBMQ-HZGVNTEJSA-N -1 0 419.265 4.059 20 30 HIEDRM Cc1cc(Br)cc2c1[n-]cc(-c1noc(Cc3cccc(C#N)c3)n1)c2=O ZINC000546468862 940828615 /nfs/dbraw/zinc/82/86/15/940828615.db2.gz ANZFDBXVDBMPEK-UHFFFAOYSA-N -1 0 421.254 4.112 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)c(Cl)c1 ZINC000547270801 941049642 /nfs/dbraw/zinc/04/96/42/941049642.db2.gz MXDARSWHKLDVIN-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000549411910 941187395 /nfs/dbraw/zinc/18/73/95/941187395.db2.gz CLKVJSLLQLDDEP-KRWDZBQOSA-N -1 0 403.442 4.328 20 30 HIEDRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)c1 ZINC000551020849 941396455 /nfs/dbraw/zinc/39/64/55/941396455.db2.gz RIYIGIWWVXMPJK-UHFFFAOYSA-N -1 0 414.712 4.293 20 30 HIEDRM O=S(=O)(CCC(F)(F)F)[N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000551564134 941502461 /nfs/dbraw/zinc/50/24/61/941502461.db2.gz RVDXUPADIJOWEA-SECBINFHSA-N -1 0 419.265 4.060 20 30 HIEDRM N#CC(=C([O-])c1ccnc(NC(=O)C2CC2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000552063542 941577346 /nfs/dbraw/zinc/57/73/46/941577346.db2.gz CIJMVZHFNRJNCB-ZDUSSCGKSA-N -1 0 424.432 4.322 20 30 HIEDRM CC(C)(C)OC(=O)c1cnc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000555076371 942378737 /nfs/dbraw/zinc/37/87/37/942378737.db2.gz JGDBXGODPLQHCF-AWEZNQCLSA-N -1 0 406.467 4.045 20 30 HIEDRM C=C(C)Cn1c(Cc2ccccc2C)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000558978901 943782882 /nfs/dbraw/zinc/78/28/82/943782882.db2.gz XLWWTJVVQPTXFW-UHFFFAOYSA-N -1 0 420.542 4.100 20 30 HIEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)c1 ZINC000559584426 944011772 /nfs/dbraw/zinc/01/17/72/944011772.db2.gz DSRVJIBXMJNMNM-KRWDZBQOSA-N -1 0 406.385 4.190 20 30 HIEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)c1 ZINC000559584429 944011977 /nfs/dbraw/zinc/01/19/77/944011977.db2.gz DSRVJIBXMJNMNM-QGZVFWFLSA-N -1 0 406.385 4.190 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000560217903 944199155 /nfs/dbraw/zinc/19/91/55/944199155.db2.gz NHNFKUWMGOGYAB-ZDUSSCGKSA-N -1 0 407.405 4.363 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)cc1C#N ZINC000561367429 944563362 /nfs/dbraw/zinc/56/33/62/944563362.db2.gz NYLYBMZMIKTWIM-UHFFFAOYSA-N -1 0 408.310 4.492 20 30 HIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000569324691 946857839 /nfs/dbraw/zinc/85/78/39/946857839.db2.gz XOBGCOKIULXCAL-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3ncccc23)c(F)c1 ZINC000573387858 948174725 /nfs/dbraw/zinc/17/47/25/948174725.db2.gz UKYXDNQVCQYIJF-UHFFFAOYSA-N -1 0 410.474 4.037 20 30 HIEDRM CSc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000436027385 861319144 /nfs/dbraw/zinc/31/91/44/861319144.db2.gz MOUMADUGDUZTGJ-UHFFFAOYSA-N -1 0 423.519 4.333 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000008522797 845532472 /nfs/dbraw/zinc/53/24/72/845532472.db2.gz ZXMIZEXJHXMOAW-SFHVURJKSA-N -1 0 410.426 4.416 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)ccc1Cl ZINC000010514883 845669961 /nfs/dbraw/zinc/66/99/61/845669961.db2.gz KWTDFJCUACBZHO-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3cccc(OCC(=O)[O-])c3)o2)cc1 ZINC000013357717 845914974 /nfs/dbraw/zinc/91/49/74/845914974.db2.gz NZCJORXZQDQQBY-ZRDIBKRKSA-N -1 0 420.417 4.483 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(-c3cccc(Cl)c3)n2)n1 ZINC000026681874 847184957 /nfs/dbraw/zinc/18/49/57/847184957.db2.gz OUBVSGZRPQDSBP-ZDUSSCGKSA-N -1 0 417.899 4.262 20 30 HIEDRM COc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1CC(=O)[O-] ZINC000026762114 847194354 /nfs/dbraw/zinc/19/43/54/847194354.db2.gz DILDCFUMALYBTJ-HWKANZROSA-N -1 0 402.830 4.033 20 30 HIEDRM COc1ccc(-c2nc(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)sc2C)cc1 ZINC000027609328 847327623 /nfs/dbraw/zinc/32/76/23/847327623.db2.gz GCOIRIKAXQCYML-UHFFFAOYSA-N -1 0 412.496 4.074 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)cc1C#N ZINC000031906655 847963901 /nfs/dbraw/zinc/96/39/01/847963901.db2.gz VMXUIWNBPXLBKG-HXUWFJFHSA-N -1 0 401.491 4.169 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2ccc(-c3csc(C)n3)cc2)cc1C#N ZINC000031916465 847964399 /nfs/dbraw/zinc/96/43/99/847964399.db2.gz LFABXBPZPJRINB-LLVKDONJSA-N -1 0 410.524 4.304 20 30 HIEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)ccc21 ZINC000436573059 861856885 /nfs/dbraw/zinc/85/68/85/861856885.db2.gz BDNSNRQCDXRVCK-UHFFFAOYSA-N -1 0 401.825 4.020 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1 ZINC000041552546 848231007 /nfs/dbraw/zinc/23/10/07/848231007.db2.gz NPUJXSDWSVFOHU-OAHLLOKOSA-N -1 0 402.351 4.478 20 30 HIEDRM C=C(C)CCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2[O-])n1 ZINC000436686295 861894586 /nfs/dbraw/zinc/89/45/86/861894586.db2.gz OACBPVMLSSAIGW-UHFFFAOYSA-N -1 0 419.890 4.405 20 30 HIEDRM CCCCN1C(=O)c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2C1=O ZINC000046442477 848849180 /nfs/dbraw/zinc/84/91/80/848849180.db2.gz OIWUYPIVBKVETO-MRXNPFEDSA-N -1 0 403.463 4.182 20 30 HIEDRM N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392241 849308584 /nfs/dbraw/zinc/30/85/84/849308584.db2.gz BTRWIJLZRMCLKP-OAHLLOKOSA-N -1 0 404.499 4.018 20 30 HIEDRM CCCCC1CCC(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000052368323 849574273 /nfs/dbraw/zinc/57/42/73/849574273.db2.gz XJABKMLIIMYYBQ-UHFFFAOYSA-N -1 0 413.452 4.145 20 30 HIEDRM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3[O-])C2)nc1 ZINC000436868147 862046193 /nfs/dbraw/zinc/04/61/93/862046193.db2.gz GUNCOBPRLPKSKR-GOSISDBHSA-N -1 0 419.868 4.273 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1Cl ZINC000055591861 850067212 /nfs/dbraw/zinc/06/72/12/850067212.db2.gz WCGKATKYEHLXIE-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000058707261 850897424 /nfs/dbraw/zinc/89/74/24/850897424.db2.gz RJBLGGCGQMBAIQ-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F ZINC000060043747 851034729 /nfs/dbraw/zinc/03/47/29/851034729.db2.gz MNBFMVXSCAMLIW-MRXNPFEDSA-N -1 0 404.426 4.269 20 30 HIEDRM COc1ccc(C2(C(=O)[N-]S(=O)(=O)c3cccc(C(C)=O)c3)CCCC2)cc1 ZINC000060766182 851208235 /nfs/dbraw/zinc/20/82/35/851208235.db2.gz OLDKHLCBEPBQKH-UHFFFAOYSA-N -1 0 401.484 4.055 20 30 HIEDRM COc1ccccc1-c1nc(C(=O)[N-]S(=O)(=O)C=Cc2ccccc2)cs1 ZINC000060766073 851208706 /nfs/dbraw/zinc/20/87/06/851208706.db2.gz RZTXZEMQOFZLIM-VAWYXSNFSA-N -1 0 400.481 4.124 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(OC)ccc3[N+](=O)[O-])n2)cc1 ZINC000063236787 851638436 /nfs/dbraw/zinc/63/84/36/851638436.db2.gz LOZLFLLVBDRZIN-INIZCTEOSA-N -1 0 409.423 4.226 20 30 HIEDRM COc1ccc2c(c1)oc(C(=O)[N-]S(=O)(=O)c1cccnc1)c2-c1ccccc1 ZINC000066002913 852351311 /nfs/dbraw/zinc/35/13/11/852351311.db2.gz BIXZCPZXPPZQHT-UHFFFAOYSA-N -1 0 408.435 4.197 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cc1Cl ZINC000110401382 853095524 /nfs/dbraw/zinc/09/55/24/853095524.db2.gz QLCXFGPHGWNWMF-UHFFFAOYSA-N -1 0 405.888 4.048 20 30 HIEDRM COc1ccc(C(=O)/C=C/c2cn(C)nc2-c2cc3ccccc3o2)cc1CC(=O)[O-] ZINC000141500698 853473245 /nfs/dbraw/zinc/47/32/45/853473245.db2.gz LRFPNJMQFSGGLA-VQHVLOKHSA-N -1 0 416.433 4.365 20 30 HIEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000211845707 853818230 /nfs/dbraw/zinc/81/82/30/853818230.db2.gz FXHMDHNFXLBOBX-KTAJNNJTSA-N -1 0 401.268 4.399 20 30 HIEDRM N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Cl)ccc3[O-])s2)cc1 ZINC000247641356 854159137 /nfs/dbraw/zinc/15/91/37/854159137.db2.gz HJVOFRJTSRZRND-UHFFFAOYSA-N -1 0 402.888 4.313 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)s1 ZINC000301118213 854302277 /nfs/dbraw/zinc/30/22/77/854302277.db2.gz UYGIHCJFLMKNQW-UHFFFAOYSA-N -1 0 415.452 4.430 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1C(F)(F)F ZINC000303950958 855314004 /nfs/dbraw/zinc/31/40/04/855314004.db2.gz VSBJPFUXXZMQII-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)s1 ZINC000320240560 855386966 /nfs/dbraw/zinc/38/69/66/855386966.db2.gz VACZPOXHYALOGE-UHFFFAOYSA-N -1 0 411.224 4.202 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(Cc3ccc(F)cc3)s2)cc1 ZINC000409672984 855595840 /nfs/dbraw/zinc/59/58/40/855595840.db2.gz VRLVPWDDERHGRB-UHFFFAOYSA-N -1 0 413.499 4.423 20 30 HIEDRM N#Cc1cccc(-n2ccc(C(=O)Nc3cc(Br)cc(Cl)c3[O-])n2)c1 ZINC000409865006 855694145 /nfs/dbraw/zinc/69/41/45/855694145.db2.gz BMBBRJIUDQYGDU-UHFFFAOYSA-N -1 0 417.650 4.118 20 30 HIEDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000410331203 855933508 /nfs/dbraw/zinc/93/35/08/855933508.db2.gz VFNDTXAGBCAVKO-UHFFFAOYSA-N -1 0 404.439 4.133 20 30 HIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000410370809 855957137 /nfs/dbraw/zinc/95/71/37/855957137.db2.gz CHSCQRWLSYHEBL-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000427681604 856907637 /nfs/dbraw/zinc/90/76/37/856907637.db2.gz XTBRFISPBINODE-ZWKOTPCHSA-N -1 0 419.399 4.211 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](c2ccccc2)CC3)cc1F ZINC000427755086 856940173 /nfs/dbraw/zinc/94/01/73/856940173.db2.gz UDDCAXHWRJBLPQ-AWEZNQCLSA-N -1 0 413.499 4.227 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(-c3cc(C)c(F)cc3F)cs2)cc1C#N ZINC000427978002 857030574 /nfs/dbraw/zinc/03/05/74/857030574.db2.gz BCRIFCADAZDCPD-UHFFFAOYSA-N -1 0 418.450 4.343 20 30 HIEDRM N#CC(=C([O-])c1cnc(OCc2ccccc2)cn1)c1nc(-c2ccncc2)cs1 ZINC000429104934 857511225 /nfs/dbraw/zinc/51/12/25/857511225.db2.gz HJCUWHLEPHRZFN-KRWDZBQOSA-N -1 0 413.462 4.064 20 30 HIEDRM Cc1nc(Cc2ccc(F)cc2)sc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000429575310 857761162 /nfs/dbraw/zinc/76/11/62/857761162.db2.gz JIYXXPMXNXGUBV-HNNXBMFYSA-N -1 0 405.458 4.251 20 30 HIEDRM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000429671653 857828410 /nfs/dbraw/zinc/82/84/10/857828410.db2.gz APUMCLQRMLPAGP-HUUCEWRRSA-N -1 0 410.524 4.354 20 30 HIEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)s1 ZINC000431163209 858480124 /nfs/dbraw/zinc/48/01/24/858480124.db2.gz MZAYUHAMDUOSFW-UHFFFAOYSA-N -1 0 411.508 4.290 20 30 HIEDRM C=C[C@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1ccccc1 ZINC000431509949 858649523 /nfs/dbraw/zinc/64/95/23/858649523.db2.gz QSMBBCBQRJYXAL-UTKZUKDTSA-N -1 0 406.482 4.064 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1ccc(F)cc1 ZINC000432084369 858977779 /nfs/dbraw/zinc/97/77/79/858977779.db2.gz FYHAUDGPXWZHGS-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM N#CCCn1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)c(-c2ccncc2)n1 ZINC000432694501 859299294 /nfs/dbraw/zinc/29/92/94/859299294.db2.gz HRGJWEAJULLBPU-HWKANZROSA-N -1 0 401.451 4.337 20 30 HIEDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432768083 859347478 /nfs/dbraw/zinc/34/74/78/859347478.db2.gz JYFXESDHOPURJK-UHFFFAOYSA-N -1 0 423.336 4.132 20 30 HIEDRM COc1ccc(Cl)cc1-c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000434979206 860583783 /nfs/dbraw/zinc/58/37/83/860583783.db2.gz ZWGJHMOMCOMHQG-UHFFFAOYSA-N -1 0 423.281 4.065 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cnn1-c1ccccc1F ZINC000435145554 860664546 /nfs/dbraw/zinc/66/45/46/860664546.db2.gz FWFAXSIICWWAFC-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1C(F)(F)F ZINC000438769167 864264733 /nfs/dbraw/zinc/26/47/33/864264733.db2.gz WCTKFAFMSZZCNC-UHFFFAOYSA-N -1 0 419.306 4.268 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cnn1-c1cccc(C#N)c1 ZINC000438834190 864327112 /nfs/dbraw/zinc/32/71/12/864327112.db2.gz JPXAKPWYNCBKHV-UHFFFAOYSA-N -1 0 424.526 4.123 20 30 HIEDRM C=C(C)C[C@@H](C)C(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C ZINC000439932093 865233121 /nfs/dbraw/zinc/23/31/21/865233121.db2.gz WJGNJUAUVJYVPC-XIKOKIGWSA-N -1 0 423.435 4.352 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cc1C#N ZINC000440723653 865875357 /nfs/dbraw/zinc/87/53/57/865875357.db2.gz IOCBFEBFIXJXCH-UHFFFAOYSA-N -1 0 405.454 4.390 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)c1C#N ZINC000440814534 865931478 /nfs/dbraw/zinc/93/14/78/865931478.db2.gz DMMFPRLKPPNOEU-MHZLTWQESA-N -1 0 416.568 4.249 20 30 HIEDRM CCc1ccc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C(=O)[O-] ZINC000440829156 865944873 /nfs/dbraw/zinc/94/48/73/865944873.db2.gz VQMIJTYCSCHFED-ZDUSSCGKSA-N -1 0 404.513 4.142 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c1C#N ZINC000441336219 866406777 /nfs/dbraw/zinc/40/67/77/866406777.db2.gz OLZHVYJIEVHXMU-UHFFFAOYSA-N -1 0 406.467 4.312 20 30 HIEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000442357492 867344974 /nfs/dbraw/zinc/34/49/74/867344974.db2.gz XUBCEUVCZFQBQS-AWEZNQCLSA-N -1 0 404.513 4.058 20 30 HIEDRM CCn1ncc2cc(C([O-])=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)c(C)nc21 ZINC000442506232 867485787 /nfs/dbraw/zinc/48/57/87/867485787.db2.gz IIBHPJZRQUHIGP-SFHVURJKSA-N -1 0 417.494 4.382 20 30 HIEDRM CC(C)C(=O)N(C)Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000442861855 867703145 /nfs/dbraw/zinc/70/31/45/867703145.db2.gz YYBCGYASQIVCEJ-LJQANCHMSA-N -1 0 418.522 4.310 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2cc3c(cc2Sc2ccccc2)OCCO3)cc1[O-] ZINC000442968890 867769880 /nfs/dbraw/zinc/76/98/80/867769880.db2.gz QWQHMSTVOZHXNJ-UHFFFAOYSA-N -1 0 404.447 4.439 20 30 HIEDRM Cc1ccc2oc(-c3nnc([N-]S(=O)(=O)c4ccc(Cl)c(C#N)c4)o3)cc2c1 ZINC000443159192 867848571 /nfs/dbraw/zinc/84/85/71/867848571.db2.gz SILMIZCDWPURBR-UHFFFAOYSA-N -1 0 414.830 4.117 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC000443356445 867924149 /nfs/dbraw/zinc/92/41/49/867924149.db2.gz DEQFOPBHQDXPLK-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM Cc1ccc2nc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)sc2c1 ZINC000443384950 867945207 /nfs/dbraw/zinc/94/52/07/867945207.db2.gz LCPWMPVPHIZODB-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NC(C)(C)Cc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000443387149 867946932 /nfs/dbraw/zinc/94/69/32/867946932.db2.gz NDYFCOGKCLMDNW-UHFFFAOYSA-N -1 0 409.433 4.151 20 30 HIEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C(F)F ZINC000443412451 867994340 /nfs/dbraw/zinc/99/43/40/867994340.db2.gz JHQQHMOTSQVBCK-UHFFFAOYSA-N -1 0 422.379 4.168 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2cccc(Cl)c2)nn1)c1nc2ccccc2n1C(F)F ZINC000444463341 868838666 /nfs/dbraw/zinc/83/86/66/868838666.db2.gz AZCYWMPZIQCPPT-ZDUSSCGKSA-N -1 0 412.787 4.156 20 30 HIEDRM COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000468374555 882317056 /nfs/dbraw/zinc/31/70/56/882317056.db2.gz VDNRRNTXJAOAFX-LLVKDONJSA-N -1 0 415.298 4.080 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000446822219 870738499 /nfs/dbraw/zinc/73/84/99/870738499.db2.gz CVAKITBBMSJTIW-UHFFFAOYSA-N -1 0 400.287 4.013 20 30 HIEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447520558 871387326 /nfs/dbraw/zinc/38/73/26/871387326.db2.gz BRDPGZIDQKUVQZ-OALUTQOASA-N -1 0 406.873 4.143 20 30 HIEDRM C=CCCCN(C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C ZINC000448542206 872546269 /nfs/dbraw/zinc/54/62/69/872546269.db2.gz LBAUIDMNPQQCFV-UHFFFAOYSA-N -1 0 405.495 4.365 20 30 HIEDRM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000460842132 873732449 /nfs/dbraw/zinc/73/24/49/873732449.db2.gz XOSWYZPQAPGBLC-UHFFFAOYSA-N -1 0 405.501 4.217 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461117950 874042457 /nfs/dbraw/zinc/04/24/57/874042457.db2.gz CHMWQFLYCATKHX-UHFFFAOYSA-N -1 0 411.224 4.202 20 30 HIEDRM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1 ZINC000463506755 876567509 /nfs/dbraw/zinc/56/75/09/876567509.db2.gz LQTAYPFMXAKHAE-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463526229 876596281 /nfs/dbraw/zinc/59/62/81/876596281.db2.gz XOZVMGIRNXELFR-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000463776704 876896849 /nfs/dbraw/zinc/89/68/49/876896849.db2.gz VCOZGDFWNPNZTF-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1C ZINC000463780196 876899199 /nfs/dbraw/zinc/89/91/99/876899199.db2.gz AXRGSAQXRROGIW-UHFFFAOYSA-N -1 0 402.516 4.381 20 30 HIEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000463783122 876901572 /nfs/dbraw/zinc/90/15/72/876901572.db2.gz RRUOPHWONASBMZ-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(C)c(C(C)(C)C)nn1-c1ccccc1 ZINC000464414346 877621897 /nfs/dbraw/zinc/62/18/97/877621897.db2.gz JLRPJSAFMPAMJR-UHFFFAOYSA-N -1 0 424.526 4.159 20 30 HIEDRM N#CCCn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1-c1ccccc1 ZINC000464472386 877694427 /nfs/dbraw/zinc/69/44/27/877694427.db2.gz DVDNBUNDHFWLFN-INIZCTEOSA-N -1 0 409.371 4.368 20 30 HIEDRM CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(F)(F)F)c1 ZINC000466351013 880109144 /nfs/dbraw/zinc/10/91/44/880109144.db2.gz ZKNGFEGUIWROJE-UHFFFAOYSA-N -1 0 406.332 4.055 20 30 HIEDRM N#Cc1nc(NC(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])[n-]c1C#N ZINC000469250782 883349001 /nfs/dbraw/zinc/34/90/01/883349001.db2.gz KNLPAYMEHLLBPV-UHFFFAOYSA-N -1 0 424.829 4.118 20 30 HIEDRM CC(C)(C)c1nnc2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cn21 ZINC000469693410 883873801 /nfs/dbraw/zinc/87/38/01/883873801.db2.gz BZHIDXVFUPJDGI-HNNXBMFYSA-N -1 0 402.483 4.035 20 30 HIEDRM Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000471107705 885642148 /nfs/dbraw/zinc/64/21/48/885642148.db2.gz JUXPXXZNPSBEHS-UHFFFAOYSA-N -1 0 423.450 4.155 20 30 HIEDRM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000471116055 885652684 /nfs/dbraw/zinc/65/26/84/885652684.db2.gz KPOGYGLQSBYUPZ-UHFFFAOYSA-N -1 0 405.501 4.217 20 30 HIEDRM Cc1cc(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)cc(C(=O)[O-])c1C ZINC000471133855 885674798 /nfs/dbraw/zinc/67/47/98/885674798.db2.gz RKGSVSGYMHWDBA-ZDUSSCGKSA-N -1 0 404.513 4.197 20 30 HIEDRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000471564415 886272705 /nfs/dbraw/zinc/27/27/05/886272705.db2.gz FBHOQZQVSWHIQB-AWEZNQCLSA-N -1 0 400.891 4.127 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)ccc1F ZINC000504251941 913117484 /nfs/dbraw/zinc/11/74/84/913117484.db2.gz GVASBSJLMNNMEZ-UHFFFAOYSA-N -1 0 407.623 4.053 20 30 HIEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000473407363 888126826 /nfs/dbraw/zinc/12/68/26/888126826.db2.gz KDLVBNRCGCAOBR-UHFFFAOYSA-N -1 0 418.277 4.241 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)C(F)F)nc2)n1 ZINC000474435693 889302037 /nfs/dbraw/zinc/30/20/37/889302037.db2.gz CLKXLJZJSHXSAI-LLVKDONJSA-N -1 0 401.385 4.431 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2occc2CN2C(=O)Cc3ccccc32)n1 ZINC000474443458 889309006 /nfs/dbraw/zinc/30/90/06/889309006.db2.gz DLYFDPIOCOXNFT-MRXNPFEDSA-N -1 0 405.479 4.439 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000475814648 890749103 /nfs/dbraw/zinc/74/91/03/890749103.db2.gz SWPNHEDQIBZKSH-UHFFFAOYSA-N -1 0 406.467 4.197 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)sc1SCC#N ZINC000476238201 891162567 /nfs/dbraw/zinc/16/25/67/891162567.db2.gz NVOSGSMZHAEWOB-UHFFFAOYSA-N -1 0 412.320 4.314 20 30 HIEDRM Cc1c(COc2ccccc2)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000476408051 891322767 /nfs/dbraw/zinc/32/27/67/891322767.db2.gz QOSKCLNGOUANIU-UHFFFAOYSA-N -1 0 423.450 4.155 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)ncn2)cc1Cl ZINC000476451079 891362812 /nfs/dbraw/zinc/36/28/12/891362812.db2.gz IFXLQXFSRXVTKK-UHFFFAOYSA-N -1 0 405.266 4.123 20 30 HIEDRM Cc1ccc(I)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000477855147 892916388 /nfs/dbraw/zinc/91/63/88/892916388.db2.gz CIXPXZNXLMRTJJ-CYBMUJFWSA-N -1 0 402.191 4.231 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(F)c1 ZINC000478537856 893838462 /nfs/dbraw/zinc/83/84/62/893838462.db2.gz LOYQKIXYOJQFPK-INIZCTEOSA-N -1 0 405.410 4.098 20 30 HIEDRM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479494202 894814066 /nfs/dbraw/zinc/81/40/66/894814066.db2.gz AWXWWFRAZBWWDM-UHFFFAOYSA-N -1 0 405.907 4.306 20 30 HIEDRM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000479514033 894827242 /nfs/dbraw/zinc/82/72/42/894827242.db2.gz GATXIJPEAYEOBL-CQSZACIVSA-N -1 0 417.918 4.027 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccccc2C#N)cnn1-c1ccccc1Cl ZINC000480197227 895594977 /nfs/dbraw/zinc/59/49/77/895594977.db2.gz GSQUGBUFLQKISS-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1C(C)C ZINC000480211259 895613495 /nfs/dbraw/zinc/61/34/95/895613495.db2.gz XMABSOSFTRLUME-UHFFFAOYSA-N -1 0 414.453 4.498 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cnn1-c1ccccc1Cl ZINC000480220117 895624785 /nfs/dbraw/zinc/62/47/85/895624785.db2.gz GNHHRUQFPWJJFW-UHFFFAOYSA-N -1 0 422.844 4.039 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1ccccc1C ZINC000480232852 895637842 /nfs/dbraw/zinc/63/78/42/895637842.db2.gz XWWHTCJSBUPKFU-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1-c1ncco1 ZINC000481621012 897004223 /nfs/dbraw/zinc/00/42/23/897004223.db2.gz MYOWAHGSAOFBAM-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Br)c([O-])c3)s2)cc1 ZINC000481879479 897251904 /nfs/dbraw/zinc/25/19/04/897251904.db2.gz AZXCRMMTHWURPY-UHFFFAOYSA-N -1 0 414.284 4.326 20 30 HIEDRM C=C(C)CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000482203739 897682114 /nfs/dbraw/zinc/68/21/14/897682114.db2.gz ALCIRIGINUWRMG-UHFFFAOYSA-N -1 0 413.326 4.442 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3C)c2C(C)C)n1 ZINC000482577634 898174201 /nfs/dbraw/zinc/17/42/01/898174201.db2.gz MREWKIIMCFEFGW-OAHLLOKOSA-N -1 0 422.510 4.427 20 30 HIEDRM CN(C(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1)c1ccccc1 ZINC000483198795 898853519 /nfs/dbraw/zinc/85/35/19/898853519.db2.gz IKLGYEPWDBPVDA-FQEVSTJZSA-N -1 0 406.445 4.396 20 30 HIEDRM Cc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1c(Cl)cccc1Cl ZINC000484189595 899803783 /nfs/dbraw/zinc/80/37/83/899803783.db2.gz CSUCAHWLXFHPHF-LLVKDONJSA-N -1 0 411.252 4.249 20 30 HIEDRM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000484515491 900004686 /nfs/dbraw/zinc/00/46/86/900004686.db2.gz OUQVXQVBGCWMTK-ZDUSSCGKSA-N -1 0 422.503 4.055 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1ccccc1 ZINC000486075229 901266609 /nfs/dbraw/zinc/26/66/09/901266609.db2.gz BYBFNSHXSIENAQ-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM Cn1nc(-c2ccc(Cl)s2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000486555317 901701784 /nfs/dbraw/zinc/70/17/84/901701784.db2.gz IOCMQSWYMDRGIR-UHFFFAOYSA-N -1 0 413.311 4.128 20 30 HIEDRM Cn1nc(-c2ccc(Cl)s2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000486560579 901705561 /nfs/dbraw/zinc/70/55/61/901705561.db2.gz VEASVFNPNCVMLI-UHFFFAOYSA-N -1 0 413.311 4.128 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3s2)nnn1Cc1ccc(F)cc1 ZINC000489833321 903618764 /nfs/dbraw/zinc/61/87/64/903618764.db2.gz AARRZXNITYIITC-OAHLLOKOSA-N -1 0 405.458 4.128 20 30 HIEDRM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000490216771 903832696 /nfs/dbraw/zinc/83/26/96/903832696.db2.gz MDPIOOKOFXTBDH-UHFFFAOYSA-N -1 0 422.462 4.102 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2csc(Br)c2)C2CC2)cc1C#N ZINC000506230175 914854284 /nfs/dbraw/zinc/85/42/84/914854284.db2.gz IVSMSUIWLXQRFW-UHFFFAOYSA-N -1 0 424.345 4.010 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2coc(-c3ccc(Br)cc3F)n2)n1 ZINC000496187377 906621944 /nfs/dbraw/zinc/62/19/44/906621944.db2.gz LBLCBWLJWRUUQO-LLVKDONJSA-N -1 0 406.236 4.498 20 30 HIEDRM C=CCOc1cccc(CNc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c1 ZINC000512610140 921260009 /nfs/dbraw/zinc/26/00/09/921260009.db2.gz WMWFTGNBOGIKEF-UHFFFAOYSA-N -1 0 401.513 4.121 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)nc1 ZINC000497444002 906918802 /nfs/dbraw/zinc/91/88/02/906918802.db2.gz PQDOPUIHQFVBOG-GFCCVEGCSA-N -1 0 413.405 4.150 20 30 HIEDRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000512753596 921302260 /nfs/dbraw/zinc/30/22/60/921302260.db2.gz ZJFHQHQNPNRGST-LBPRGKRZSA-N -1 0 424.931 4.322 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CSc4ccc(C#N)cn4)nc(=O)c3s2)cc1 ZINC000498163227 907691666 /nfs/dbraw/zinc/69/16/66/907691666.db2.gz PMURUZIMAZGLAU-UHFFFAOYSA-N -1 0 406.492 4.219 20 30 HIEDRM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2NC1=O ZINC000512946782 921431548 /nfs/dbraw/zinc/43/15/48/921431548.db2.gz CYBXETJXOSRGLC-SMDDNHRTSA-N -1 0 406.492 4.128 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nnn1-c1ccccc1Cl ZINC000512963191 921441045 /nfs/dbraw/zinc/44/10/45/921441045.db2.gz ATCIFBWJEFYVHL-AWEZNQCLSA-N -1 0 420.885 4.238 20 30 HIEDRM CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1Cl ZINC000501308000 910460674 /nfs/dbraw/zinc/46/06/74/910460674.db2.gz KGSLQAGNODPHPV-CYBMUJFWSA-N -1 0 404.861 4.240 20 30 HIEDRM CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1Cl ZINC000501308002 910461152 /nfs/dbraw/zinc/46/11/52/910461152.db2.gz KGSLQAGNODPHPV-ZDUSSCGKSA-N -1 0 404.861 4.240 20 30 HIEDRM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502773830 911797992 /nfs/dbraw/zinc/79/79/92/911797992.db2.gz LWERLBFGNCLICS-UHFFFAOYSA-N -1 0 416.915 4.262 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)c(Cl)c1 ZINC000502798234 911819261 /nfs/dbraw/zinc/81/92/61/911819261.db2.gz ZOGFRPCLMHSJSC-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c(Cl)c1 ZINC000502829568 911842798 /nfs/dbraw/zinc/84/27/98/911842798.db2.gz SVEDSTANGQSFIS-UHFFFAOYSA-N -1 0 405.888 4.048 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnn1Cc1c(Cl)cccc1Cl ZINC000513382264 921755108 /nfs/dbraw/zinc/75/51/08/921755108.db2.gz DWPQIWXESUTDIX-UHFFFAOYSA-N -1 0 421.309 4.219 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2c(cccc2Br)s1 ZINC000508105906 916920927 /nfs/dbraw/zinc/92/09/27/916920927.db2.gz ZJFCPHXQDRRWEI-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1Br ZINC000508132374 916952099 /nfs/dbraw/zinc/95/20/99/916952099.db2.gz NAQLGEOIJGNHNG-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000508192767 917014420 /nfs/dbraw/zinc/01/44/20/917014420.db2.gz SPLDKVNKPOOREM-UHFFFAOYSA-N -1 0 402.863 4.186 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000509388775 918054308 /nfs/dbraw/zinc/05/43/08/918054308.db2.gz ZNCBOKYZIGKNKG-UHFFFAOYSA-N -1 0 402.291 4.368 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1ccccc1Cl ZINC000510310961 918822438 /nfs/dbraw/zinc/82/24/38/918822438.db2.gz POXQDECDLFLLSM-LBPRGKRZSA-N -1 0 405.767 4.133 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000511149030 919768842 /nfs/dbraw/zinc/76/88/42/919768842.db2.gz BMOSUUZLHRDVAS-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3nc(C(=O)OCC)cs3)c12 ZINC000511741832 920416154 /nfs/dbraw/zinc/41/61/54/920416154.db2.gz OJMVXAZEVRSLGC-ZDUSSCGKSA-N -1 0 424.482 4.176 20 30 HIEDRM Cc1noc(CSc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)n1 ZINC000513677054 921999103 /nfs/dbraw/zinc/99/91/03/921999103.db2.gz PLZVIIYYONXEFS-MRXNPFEDSA-N -1 0 403.467 4.047 20 30 HIEDRM Cc1csc([C@@H](C#N)C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)n1 ZINC000513682304 922003793 /nfs/dbraw/zinc/00/37/93/922003793.db2.gz SHPXJJOARNTHOJ-IBGZPJMESA-N -1 0 402.479 4.477 20 30 HIEDRM COc1ccccc1OCc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)o1 ZINC000513692906 922014235 /nfs/dbraw/zinc/01/42/35/922014235.db2.gz WRHNHOLXWMDFJC-MRXNPFEDSA-N -1 0 401.422 4.244 20 30 HIEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000513818016 922142121 /nfs/dbraw/zinc/14/21/21/922142121.db2.gz UJYVNRZCICMGON-UHFFFAOYSA-N -1 0 410.499 4.024 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1F ZINC000515100522 922913129 /nfs/dbraw/zinc/91/31/29/922913129.db2.gz BYZCUKWJPVODJC-MRXNPFEDSA-N -1 0 424.881 4.099 20 30 HIEDRM N#CC(=C([O-])c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc2cc(Cl)ccc2s1 ZINC000515539562 923164904 /nfs/dbraw/zinc/16/49/04/923164904.db2.gz XNYSCRJXUMYANZ-SNVBAGLBSA-N -1 0 401.787 4.077 20 30 HIEDRM N#CC(=C([O-])c1cc(C(N)=O)cs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000516269977 923638577 /nfs/dbraw/zinc/63/85/77/923638577.db2.gz HZQHAIJHSPNXDJ-VSXNPSKCSA-N -1 0 411.552 4.261 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(OC)c(OC)c3OC)n2)cc1 ZINC000516714242 923860002 /nfs/dbraw/zinc/86/00/02/923860002.db2.gz WURFNLQRNBXPRW-MRXNPFEDSA-N -1 0 424.478 4.335 20 30 HIEDRM C[C@@](CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)(C(=O)[O-])c1ccccc1 ZINC000516860165 923920353 /nfs/dbraw/zinc/92/03/53/923920353.db2.gz HUTBOWYPCYSOAA-QHCPKHFHSA-N -1 0 401.422 4.117 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000516889120 923926614 /nfs/dbraw/zinc/92/66/14/923926614.db2.gz VGAKZPAYMXXAOT-UHFFFAOYSA-N -1 0 402.403 4.201 20 30 HIEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000517434122 924183425 /nfs/dbraw/zinc/18/34/25/924183425.db2.gz LKNVCIIRYDVHKY-ZDUSSCGKSA-N -1 0 405.501 4.210 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cncc(Br)c3)n2)cc1 ZINC000518516496 927321266 /nfs/dbraw/zinc/32/12/66/927321266.db2.gz HCRJFGPXRMEYPI-HNNXBMFYSA-N -1 0 414.284 4.466 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000518669677 927418733 /nfs/dbraw/zinc/41/87/33/927418733.db2.gz JXJLXGYSCNNXDT-QGZVFWFLSA-N -1 0 422.437 4.180 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3cccc(Br)c3)c2C)n1 ZINC000519289021 927864910 /nfs/dbraw/zinc/86/49/10/927864910.db2.gz ONBRUJNUGQWNMB-CQSZACIVSA-N -1 0 401.289 4.198 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000520926214 928877564 /nfs/dbraw/zinc/87/75/64/928877564.db2.gz UHDMCKFHCJHHCH-LLVKDONJSA-N -1 0 411.892 4.443 20 30 HIEDRM N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2)cc1 ZINC000521527272 929275447 /nfs/dbraw/zinc/27/54/47/929275447.db2.gz LKSASNCOLRNKDI-UHFFFAOYSA-N -1 0 422.462 4.169 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1OCCC(C)C ZINC000524966410 929930529 /nfs/dbraw/zinc/93/05/29/929930529.db2.gz LDRBXODJNBGSMN-UHFFFAOYSA-N -1 0 403.460 4.001 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)F)cn1 ZINC000525010586 929972493 /nfs/dbraw/zinc/97/24/93/929972493.db2.gz YTEMNJLPRUJCMP-UHFFFAOYSA-N -1 0 423.388 4.130 20 30 HIEDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000525018288 929977731 /nfs/dbraw/zinc/97/77/31/929977731.db2.gz ARHIRYGLOBHDBU-LBPRGKRZSA-N -1 0 424.931 4.179 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000525435243 930238155 /nfs/dbraw/zinc/23/81/55/930238155.db2.gz SSKRUKSQULAKFA-QGZVFWFLSA-N -1 0 409.536 4.397 20 30 HIEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000527205432 930612015 /nfs/dbraw/zinc/61/20/15/930612015.db2.gz WGGHDRPUSHDWFM-UHFFFAOYSA-N -1 0 416.368 4.085 20 30 HIEDRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccccc3Oc3ncccc3C#N)c2n1 ZINC000530770713 930819796 /nfs/dbraw/zinc/81/97/96/930819796.db2.gz AZEOEICRSLBUOP-UHFFFAOYSA-N -1 0 416.462 4.403 20 30 HIEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)c(F)c1 ZINC000530786638 930823397 /nfs/dbraw/zinc/82/33/97/930823397.db2.gz URTDMKQWJFXAQK-UHFFFAOYSA-N -1 0 406.414 4.372 20 30 HIEDRM C=C(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2[O-])nnc1-c1ccco1 ZINC000532270121 931377816 /nfs/dbraw/zinc/37/78/16/931377816.db2.gz DVXCYDRJUPACJJ-UHFFFAOYSA-N -1 0 404.879 4.204 20 30 HIEDRM Cn1c(=O)oc2c1cccc2C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000533868359 932071252 /nfs/dbraw/zinc/07/12/52/932071252.db2.gz LWXWAGPJHHZSAB-NSHDSACASA-N -1 0 411.389 4.023 20 30 HIEDRM Cn1c(=O)oc2c1cccc2C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000533868343 932071547 /nfs/dbraw/zinc/07/15/47/932071547.db2.gz LWXWAGPJHHZSAB-LLVKDONJSA-N -1 0 411.389 4.023 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)cc1 ZINC000534239419 932358222 /nfs/dbraw/zinc/35/82/22/932358222.db2.gz MZAFNCRAVKLCRT-UHFFFAOYSA-N -1 0 421.194 4.020 20 30 HIEDRM Cc1cc(S(C)(=O)=O)cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1C ZINC000534690835 932662130 /nfs/dbraw/zinc/66/21/30/932662130.db2.gz IZUBEBRBYGZXRQ-HNNXBMFYSA-N -1 0 418.927 4.460 20 30 HIEDRM N#CCc1ccc(Oc2ccc(C(=O)N=c3nc(-c4cccnc4)[n-]s3)cc2)cc1 ZINC000535930962 933500481 /nfs/dbraw/zinc/50/04/81/933500481.db2.gz QGSDIXXHOUJJOA-UHFFFAOYSA-N -1 0 413.462 4.133 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nnn1Cc1ccc(F)cc1 ZINC000562497081 945091989 /nfs/dbraw/zinc/09/19/89/945091989.db2.gz XQWGCBZKSRIGTQ-GOSISDBHSA-N -1 0 417.469 4.388 20 30 HIEDRM N#CC(=C([O-])c1cnn2cc(Br)cnc12)c1nc(-c2ccccc2)cs1 ZINC000537667087 938350209 /nfs/dbraw/zinc/35/02/09/938350209.db2.gz XIUXHSWJZMOLDY-CYBMUJFWSA-N -1 0 424.283 4.105 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000538744270 938699640 /nfs/dbraw/zinc/69/96/40/938699640.db2.gz ZHEQVSNJSVIKKB-UHFFFAOYSA-N -1 0 415.287 4.221 20 30 HIEDRM COc1cccc(-c2nc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)c(C)[nH]2)c1 ZINC000538980404 938758048 /nfs/dbraw/zinc/75/80/48/938758048.db2.gz OZOTXGRFQRBTLQ-QGZVFWFLSA-N -1 0 415.478 4.402 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)cc1C(F)(F)F ZINC000539114556 938804959 /nfs/dbraw/zinc/80/49/59/938804959.db2.gz MMFZRJABRDTSII-UHFFFAOYSA-N -1 0 424.322 4.161 20 30 HIEDRM Cc1cccc([N-]S(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c1C#N ZINC000540566611 939306940 /nfs/dbraw/zinc/30/69/40/939306940.db2.gz MRQWPWLXPJIVNS-UHFFFAOYSA-N -1 0 416.396 4.085 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)n1 ZINC000540744172 939356258 /nfs/dbraw/zinc/35/62/58/939356258.db2.gz BETYJXMEKHTWHN-MRXNPFEDSA-N -1 0 414.494 4.256 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1ccccc1 ZINC000541163546 939482986 /nfs/dbraw/zinc/48/29/86/939482986.db2.gz AIYXQXQYSUKUTR-UHFFFAOYSA-N -1 0 400.891 4.151 20 30 HIEDRM CCS(=O)(=O)[N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC000541191202 939485009 /nfs/dbraw/zinc/48/50/09/939485009.db2.gz SIIKIICHSPVNQI-SECBINFHSA-N -1 0 403.266 4.267 20 30 HIEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3cc(Cl)sc3Cl)n2)c(F)c1 ZINC000542014303 939685263 /nfs/dbraw/zinc/68/52/63/939685263.db2.gz FJABKMUJAZWPDP-UHFFFAOYSA-N -1 0 417.274 4.052 20 30 HIEDRM Cc1cc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)oc2c(Br)c1 ZINC000542518698 939836344 /nfs/dbraw/zinc/83/63/44/939836344.db2.gz RQAKUIFDBTZPAZ-ZDUSSCGKSA-N -1 0 413.275 4.312 20 30 HIEDRM N#Cc1cc(Oc2ccc(NC(=O)c3cccc(Br)c3[O-])cc2)ccn1 ZINC000563790344 945301981 /nfs/dbraw/zinc/30/19/81/945301981.db2.gz HQBPNLRTAGQLSC-UHFFFAOYSA-N -1 0 410.227 4.466 20 30 HIEDRM COCCn1cc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(C)n1 ZINC000543879413 940222964 /nfs/dbraw/zinc/22/29/64/940222964.db2.gz GBGWIDQVXWYEMQ-WMVQRKQLSA-N -1 0 424.570 4.252 20 30 HIEDRM CO[C@@H](C)c1nc(=NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s[n-]1 ZINC000563878708 945318904 /nfs/dbraw/zinc/31/89/04/945318904.db2.gz UXAPGRISAQATHT-KBPBESRZSA-N -1 0 407.499 4.089 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(O[C@H]4CCOC4)c3)n2)cc1 ZINC000544547850 940476781 /nfs/dbraw/zinc/47/67/81/940476781.db2.gz YORXKGFLMWBBRV-ROUUACIJSA-N -1 0 405.479 4.171 20 30 HIEDRM C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000544724814 940507944 /nfs/dbraw/zinc/50/79/44/940507944.db2.gz IWHMNFLPSNVBMQ-MUWHJKNJSA-N -1 0 419.265 4.059 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000545381412 940567367 /nfs/dbraw/zinc/56/73/67/940567367.db2.gz CMUDCIATXWNBBH-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM N#CC(=C([O-])c1cccc(Sc2cccc(Br)c2)n1)c1ccncn1 ZINC000545446369 940570256 /nfs/dbraw/zinc/57/02/56/940570256.db2.gz HNANJGAIMXGHLP-CQSZACIVSA-N -1 0 411.284 4.275 20 30 HIEDRM Cc1ccc(-c2nn(Cc3ccccc3)cc2C([O-])=C(C#N)c2ccncn2)cc1C ZINC000546152482 940714991 /nfs/dbraw/zinc/71/49/91/940714991.db2.gz BKTAGJBIOKFYMF-NRFANRHFSA-N -1 0 407.477 4.495 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Br)c3n2)c(Cl)c1 ZINC000546567478 940855162 /nfs/dbraw/zinc/85/51/62/940855162.db2.gz WILIWCHXIRZQQY-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)cc1 ZINC000547239216 941040982 /nfs/dbraw/zinc/04/09/82/941040982.db2.gz APWPIZVDJFAACI-UHFFFAOYSA-N -1 0 424.478 4.177 20 30 HIEDRM CCOc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nnc4n3CCCCC4)s2)cc1 ZINC000550859069 941375557 /nfs/dbraw/zinc/37/55/57/941375557.db2.gz JFDWFLTVVJEBEF-KRWDZBQOSA-N -1 0 421.526 4.325 20 30 HIEDRM Cc1c(Br)cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000551508468 941491681 /nfs/dbraw/zinc/49/16/81/941491681.db2.gz ILDPALMYKGNGNJ-ZDUSSCGKSA-N -1 0 413.231 4.043 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000553205118 941848737 /nfs/dbraw/zinc/84/87/37/941848737.db2.gz VQOQEMMKBISQRY-GDBMZVCRSA-N -1 0 421.444 4.466 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)cc1C#N ZINC000553911056 941996576 /nfs/dbraw/zinc/99/65/76/941996576.db2.gz YACMSNARVROXGJ-CQSZACIVSA-N -1 0 405.932 4.041 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)cc1 ZINC000556346395 942847058 /nfs/dbraw/zinc/84/70/58/942847058.db2.gz IOZKUCYIRKSNIS-UHFFFAOYSA-N -1 0 423.538 4.102 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)cc1C#N ZINC000557363657 943088014 /nfs/dbraw/zinc/08/80/14/943088014.db2.gz VIVVDZZDWHOHJG-UHFFFAOYSA-N -1 0 421.444 4.452 20 30 HIEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 ZINC000558084131 943375814 /nfs/dbraw/zinc/37/58/14/943375814.db2.gz IRBNNVFGOWIEKK-OAHLLOKOSA-N -1 0 422.350 4.300 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)onc1C1CCCCC1 ZINC000559841164 944064019 /nfs/dbraw/zinc/06/40/19/944064019.db2.gz KOBGFPNZDYXEPX-UHFFFAOYSA-N -1 0 424.320 4.466 20 30 HIEDRM C=C(C)COc1cccc(NC(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])c1 ZINC000566598989 946053983 /nfs/dbraw/zinc/05/39/83/946053983.db2.gz BSMDTVNOHYPCME-HXUWFJFHSA-N -1 0 411.433 4.079 20 30 HIEDRM C=CCN(C(=O)Nc1cccc(OCC(F)(F)F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000568010260 946440906 /nfs/dbraw/zinc/44/09/06/946440906.db2.gz ULFHCKOSJKSWNT-SFHVURJKSA-N -1 0 422.403 4.344 20 30 HIEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC000568674328 946648034 /nfs/dbraw/zinc/64/80/34/946648034.db2.gz UWGVCCDKDOGHBD-OAHLLOKOSA-N -1 0 422.350 4.300 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2cc(C#N)ccc2C)sc1Cc1ccc(F)cc1 ZINC000569841721 947017657 /nfs/dbraw/zinc/01/76/57/947017657.db2.gz NNTISWKTASBSKK-UHFFFAOYSA-N -1 0 401.488 4.162 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2[n-]c1=S ZINC000017064584 846228917 /nfs/dbraw/zinc/22/89/17/846228917.db2.gz XRFNOFXQGZWYGC-UHFFFAOYSA-N -1 0 419.428 4.194 20 30 HIEDRM C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1 ZINC000024457718 846827089 /nfs/dbraw/zinc/82/70/89/846827089.db2.gz SUVKZKCABQYBHR-UHFFFAOYSA-N -1 0 422.934 4.188 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)c(F)c1 ZINC000032084733 847985915 /nfs/dbraw/zinc/98/59/15/847985915.db2.gz BZYRIADBEYOGPB-UHFFFAOYSA-N -1 0 414.483 4.046 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(OC)c1Br ZINC000041543254 848228740 /nfs/dbraw/zinc/22/87/40/848228740.db2.gz ZVAGBMSXBXBJCP-LLVKDONJSA-N -1 0 401.216 4.098 20 30 HIEDRM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(Br)c([O-])c(Br)c2)C1 ZINC000436662780 861886700 /nfs/dbraw/zinc/88/67/00/861886700.db2.gz KBZASYWVYMUYHG-BJOHPYRUSA-N -1 0 416.113 4.119 20 30 HIEDRM CNc1ccc(C#N)cc1NC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000436671554 861890119 /nfs/dbraw/zinc/89/01/19/861890119.db2.gz ABESGDNMCOFOEI-UHFFFAOYSA-N -1 0 422.391 4.088 20 30 HIEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436718884 861904603 /nfs/dbraw/zinc/90/46/03/861904603.db2.gz XVLBZQSGDJCAHR-UHFFFAOYSA-N -1 0 410.287 4.290 20 30 HIEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000436718388 861905379 /nfs/dbraw/zinc/90/53/79/861905379.db2.gz WPXYSGGNNGKAKS-UHFFFAOYSA-N -1 0 414.683 4.112 20 30 HIEDRM C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC000436728665 861914395 /nfs/dbraw/zinc/91/43/95/861914395.db2.gz NGDDCXHKNBBGDE-MRXNPFEDSA-N -1 0 420.918 4.027 20 30 HIEDRM N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)cc(Cl)c3[O-])s2)cc1 ZINC000436735045 861919694 /nfs/dbraw/zinc/91/96/94/861919694.db2.gz BSGNQQPUZXPTNH-UHFFFAOYSA-N -1 0 420.878 4.452 20 30 HIEDRM O=C(c1cc(F)cc(Br)c1[O-])N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000436853863 862033556 /nfs/dbraw/zinc/03/35/56/862033556.db2.gz CUIZQULFJGBMFQ-UHFFFAOYSA-N -1 0 424.110 4.251 20 30 HIEDRM CC1(C)CCCN(C(=O)c2cc(Br)c([O-])c(Br)c2)[C@@H]1C#N ZINC000436910292 862087072 /nfs/dbraw/zinc/08/70/72/862087072.db2.gz PPFTXMWRSYCSGZ-GFCCVEGCSA-N -1 0 416.113 4.072 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000055664084 850102985 /nfs/dbraw/zinc/10/29/85/850102985.db2.gz CMTSQYKPFUYWSZ-UHFFFAOYSA-N -1 0 419.717 4.363 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436915339 862096522 /nfs/dbraw/zinc/09/65/22/862096522.db2.gz NVDDQASWZLFPRG-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM Cc1nc(NC(=O)c2cc(Cl)cc(Br)c2[O-])sc1SCC#N ZINC000436936318 862114584 /nfs/dbraw/zinc/11/45/84/862114584.db2.gz BBJMLDSFAMUFHS-UHFFFAOYSA-N -1 0 418.725 4.441 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000057123589 850553848 /nfs/dbraw/zinc/55/38/48/850553848.db2.gz XIWRAROZNFAPOA-UHFFFAOYSA-N -1 0 408.882 4.094 20 30 HIEDRM COc1ccc(C2(C(=O)[N-]S(=O)(=O)c3ccc(C(C)=O)cc3)CCCC2)cc1 ZINC000060765582 851208331 /nfs/dbraw/zinc/20/83/31/851208331.db2.gz POZWPRMPIIEXNK-UHFFFAOYSA-N -1 0 401.484 4.055 20 30 HIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000061110456 851295107 /nfs/dbraw/zinc/29/51/07/851295107.db2.gz DHNUBOFEUPHUJZ-UHFFFAOYSA-N -1 0 419.506 4.423 20 30 HIEDRM Cc1ccc(C)c(OCCCCC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000063234049 851637245 /nfs/dbraw/zinc/63/72/45/851637245.db2.gz XWFQJLQKINVPFV-UHFFFAOYSA-N -1 0 406.460 4.106 20 30 HIEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)cc1 ZINC000064477047 851908041 /nfs/dbraw/zinc/90/80/41/851908041.db2.gz VOWZMJBRLWPWEB-UHFFFAOYSA-N -1 0 422.462 4.246 20 30 HIEDRM Cc1sc2ncnc(SCCC(=O)[N-]S(=O)(=O)c3ccccc3)c2c1C ZINC000065762929 852247706 /nfs/dbraw/zinc/24/77/06/852247706.db2.gz LFITXDYITNHXJB-UHFFFAOYSA-N -1 0 407.542 4.136 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCc2ccccc2-3)cc1Cl ZINC000071988970 852454559 /nfs/dbraw/zinc/45/45/59/852454559.db2.gz NUBSHVXJYMVCAN-UHFFFAOYSA-N -1 0 401.900 4.235 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(C(F)(F)F)c1 ZINC000144978956 853544570 /nfs/dbraw/zinc/54/45/70/853544570.db2.gz CWNBMXFLGLINJH-UHFFFAOYSA-N -1 0 410.417 4.304 20 30 HIEDRM CC(C)NC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000195662684 853744125 /nfs/dbraw/zinc/74/41/25/853744125.db2.gz ZJQQZNAUJNQFMT-KRWDZBQOSA-N -1 0 405.483 4.225 20 30 HIEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 ZINC000211097865 853815117 /nfs/dbraw/zinc/81/51/17/853815117.db2.gz GSLJMQIVMXJKRS-NVNXTCNLSA-N -1 0 401.418 4.298 20 30 HIEDRM N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000409873592 855700209 /nfs/dbraw/zinc/70/02/09/855700209.db2.gz LNZZMJAOALXXGW-UHFFFAOYSA-N -1 0 422.462 4.169 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)ccc1C(F)(F)F ZINC000410320351 855926279 /nfs/dbraw/zinc/92/62/79/855926279.db2.gz DPOVSYJTIAVDAN-UHFFFAOYSA-N -1 0 419.356 4.266 20 30 HIEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n[nH]1 ZINC000410326104 855929999 /nfs/dbraw/zinc/92/99/99/855929999.db2.gz BWEXCIPEIQCREC-UHFFFAOYSA-N -1 0 406.389 4.076 20 30 HIEDRM CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410333959 855934641 /nfs/dbraw/zinc/93/46/41/855934641.db2.gz AUMMDFJLLKWJBU-UHFFFAOYSA-N -1 0 424.404 4.415 20 30 HIEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000425948657 856013351 /nfs/dbraw/zinc/01/33/51/856013351.db2.gz DJGIINBVLVGKBK-UHFFFAOYSA-N -1 0 424.526 4.099 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2ccc(F)cc2Cl)n1 ZINC000427639979 856894909 /nfs/dbraw/zinc/89/49/09/856894909.db2.gz SYIOCGXKESDVAG-UHFFFAOYSA-N -1 0 417.849 4.222 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](c2ccccc2)CC3)cc1F ZINC000427755087 856939710 /nfs/dbraw/zinc/93/97/10/856939710.db2.gz UDDCAXHWRJBLPQ-CQSZACIVSA-N -1 0 413.499 4.227 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2OCc2cccc(Cl)c2)cc1F ZINC000427776284 856949066 /nfs/dbraw/zinc/94/90/66/856949066.db2.gz FQOZKRCXDDNNOY-UHFFFAOYSA-N -1 0 417.849 4.126 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc(Cl)c3Cl)s2)cc1F ZINC000427793861 856957883 /nfs/dbraw/zinc/95/78/83/856957883.db2.gz PTFLIJUNSJNGHX-UHFFFAOYSA-N -1 0 402.259 4.415 20 30 HIEDRM Cc1nc([C@H]2CCCOC2)sc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000429671652 857828730 /nfs/dbraw/zinc/82/87/30/857828730.db2.gz APUMCLQRMLPAGP-GJZGRUSLSA-N -1 0 410.524 4.354 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1ccc(F)cc1 ZINC000432077793 858972327 /nfs/dbraw/zinc/97/23/27/858972327.db2.gz JZQHDWLKVSVTMW-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM Cc1noc(-c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(C#N)cc2C)n1 ZINC000432482126 859186897 /nfs/dbraw/zinc/18/68/97/859186897.db2.gz FFQZLYMVEVWZCO-UHFFFAOYSA-N -1 0 422.388 4.045 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)cc1C#N ZINC000433072858 859510551 /nfs/dbraw/zinc/51/05/51/859510551.db2.gz DISGGENORPNLKX-SECBINFHSA-N -1 0 408.310 4.447 20 30 HIEDRM N#Cc1ccc(CSc2nnc([N-]C(=O)c3occc3Br)s2)cc1 ZINC000433517626 859750131 /nfs/dbraw/zinc/75/01/31/859750131.db2.gz CPTRBTFOLDFZTK-UHFFFAOYSA-N -1 0 421.301 4.310 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnnn3-c3cccc(F)c3)n2)cc1 ZINC000434624082 860437267 /nfs/dbraw/zinc/43/72/67/860437267.db2.gz OPLPXFYRSUKCBU-QGZVFWFLSA-N -1 0 419.441 4.029 20 30 HIEDRM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1Cl ZINC000435169285 860675443 /nfs/dbraw/zinc/67/54/43/860675443.db2.gz UHQGUMZEGCRVCT-UHFFFAOYSA-N -1 0 420.796 4.048 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1C(F)(F)F ZINC000435173403 860677733 /nfs/dbraw/zinc/67/77/33/860677733.db2.gz LGJUUBWDKPAMNQ-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435195615 860691042 /nfs/dbraw/zinc/69/10/42/860691042.db2.gz HDQQRTGAWIDGEH-UHFFFAOYSA-N -1 0 408.405 4.138 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(F)c3)c(F)c2)s1 ZINC000435477778 860812951 /nfs/dbraw/zinc/81/29/51/860812951.db2.gz CYBYUKJLVIWMOS-UHFFFAOYSA-N -1 0 406.435 4.278 20 30 HIEDRM COc1cccc(Cn2ccc3ccc([N-]S(=O)(=O)c4ccc(C#N)s4)cc32)c1 ZINC000435501029 860824138 /nfs/dbraw/zinc/82/41/38/860824138.db2.gz NIHAIENKDVZMBR-UHFFFAOYSA-N -1 0 423.519 4.432 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c(C(F)(F)F)c1 ZINC000438764757 864259385 /nfs/dbraw/zinc/25/93/85/864259385.db2.gz LPICIEDYRQCKFJ-UHFFFAOYSA-N -1 0 410.295 4.102 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438777471 864270783 /nfs/dbraw/zinc/27/07/83/864270783.db2.gz XZUBRBJTQSGRRW-LLVKDONJSA-N -1 0 410.904 4.091 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc1C(F)(F)F ZINC000438778283 864273245 /nfs/dbraw/zinc/27/32/45/864273245.db2.gz QZVCFYGYCZFBLH-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Oc3cccc(C)c3C)nc2)cc1C#N ZINC000439774772 865099687 /nfs/dbraw/zinc/09/96/87/865099687.db2.gz ZYBCAOOZNUUCQH-UHFFFAOYSA-N -1 0 406.467 4.437 20 30 HIEDRM COc1ccc(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c(OCc2ccccc2)c1 ZINC000439878741 865189570 /nfs/dbraw/zinc/18/95/70/865189570.db2.gz WYVNUEUMWXVLTM-UHFFFAOYSA-N -1 0 421.478 4.221 20 30 HIEDRM CCCc1c(NC(=O)c2cc(F)c(F)c([O-])c2F)cnn1-c1cccc(C#N)c1 ZINC000440086632 865348189 /nfs/dbraw/zinc/34/81/89/865348189.db2.gz GSAOQAONKBXNNE-UHFFFAOYSA-N -1 0 400.360 4.072 20 30 HIEDRM CCn1ncc2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(C)nc21 ZINC000442503494 867485310 /nfs/dbraw/zinc/48/53/10/867485310.db2.gz CXDONRLBGRIEPC-GOSISDBHSA-N -1 0 412.478 4.245 20 30 HIEDRM COc1c(Br)c(C)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000442596956 867551259 /nfs/dbraw/zinc/55/12/59/867551259.db2.gz HUKHQPZINBQMFU-JTQLQIEISA-N -1 0 404.289 4.204 20 30 HIEDRM Cc1cc(C(C#N)=C([O-])c2ccc(Oc3cccc(Cl)c3Cl)nn2)nc(C)n1 ZINC000442664030 867602559 /nfs/dbraw/zinc/60/25/59/867602559.db2.gz YNPOBSAQAWVAKE-GFCCVEGCSA-N -1 0 414.252 4.473 20 30 HIEDRM C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000442898636 867729011 /nfs/dbraw/zinc/72/90/11/867729011.db2.gz JPSJLCKTSLDKSD-OAQYLSRUSA-N -1 0 418.515 4.045 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)ccc1C(F)(F)F ZINC000443403542 867973100 /nfs/dbraw/zinc/97/31/00/867973100.db2.gz BFPKLBYAFNQCHM-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443409770 867992162 /nfs/dbraw/zinc/99/21/62/867992162.db2.gz YHURUURNHDXASG-UHFFFAOYSA-N -1 0 412.437 4.388 20 30 HIEDRM C=CCCc1ccccc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000443418641 868002956 /nfs/dbraw/zinc/00/29/56/868002956.db2.gz OAYKDPBPOKHWPC-UHFFFAOYSA-N -1 0 403.500 4.158 20 30 HIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000443421487 868005224 /nfs/dbraw/zinc/00/52/24/868005224.db2.gz YFOLNLZBQGSYLP-UHFFFAOYSA-N -1 0 411.277 4.277 20 30 HIEDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000468345150 882280400 /nfs/dbraw/zinc/28/04/00/882280400.db2.gz BDZKWTFYAQDUHG-CQSZACIVSA-N -1 0 424.519 4.046 20 30 HIEDRM COc1cc(-c2noc([C@H](C)Oc3ccccc3C#N)n2)cc(Br)c1O ZINC000445399538 869484180 /nfs/dbraw/zinc/48/41/80/869484180.db2.gz BMXMACMDBNPJSN-JTQLQIEISA-N -1 0 416.231 4.225 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCCC#N)c1Cl ZINC000468364363 882304987 /nfs/dbraw/zinc/30/49/87/882304987.db2.gz JUGWHZUPEOWWLL-UHFFFAOYSA-N -1 0 417.918 4.032 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cccc4ccccc43)o2)c(Cl)c1 ZINC000446773452 870688121 /nfs/dbraw/zinc/68/81/21/870688121.db2.gz AGUNCYJYTNWNPY-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2cccc(C#N)c2)sc1Cc1ccc(F)c(F)c1F ZINC000446946371 870855221 /nfs/dbraw/zinc/85/52/21/870855221.db2.gz QHFKBXGWZUTKPI-UHFFFAOYSA-N -1 0 423.441 4.132 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(-c2ncc3n2CCCC3)c1 ZINC000446961862 870864662 /nfs/dbraw/zinc/86/46/62/870864662.db2.gz DQTXYXJBFGGUDX-UHFFFAOYSA-N -1 0 412.902 4.212 20 30 HIEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447520560 871387373 /nfs/dbraw/zinc/38/73/73/871387373.db2.gz BRDPGZIDQKUVQZ-RTBURBONSA-N -1 0 406.873 4.143 20 30 HIEDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)s1 ZINC000460842943 873733790 /nfs/dbraw/zinc/73/37/90/873733790.db2.gz OXPVCVYXVUOBMA-UHFFFAOYSA-N -1 0 415.334 4.302 20 30 HIEDRM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000462104186 875211785 /nfs/dbraw/zinc/21/17/85/875211785.db2.gz RUVUEPHPZQSWHX-UHFFFAOYSA-N -1 0 401.488 4.003 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000462105685 875213034 /nfs/dbraw/zinc/21/30/34/875213034.db2.gz ULPIUPMJBKKXQW-UHFFFAOYSA-N -1 0 412.284 4.083 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000468932078 882997290 /nfs/dbraw/zinc/99/72/90/882997290.db2.gz LHERYYLPFOQDLQ-UHFFFAOYSA-N -1 0 414.712 4.207 20 30 HIEDRM Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)C2)n1 ZINC000463109785 876148365 /nfs/dbraw/zinc/14/83/65/876148365.db2.gz TWDLXDGPGNRXGI-CYBMUJFWSA-N -1 0 405.285 4.129 20 30 HIEDRM CCc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3OC)cn2)c1 ZINC000463521266 876587480 /nfs/dbraw/zinc/58/74/80/876587480.db2.gz ZLGVBTWRDZXGTR-UHFFFAOYSA-N -1 0 409.467 4.117 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccc(F)cc3)nc2c1 ZINC000463523568 876592961 /nfs/dbraw/zinc/59/29/61/876592961.db2.gz CPIVKAXAGGNPDD-UHFFFAOYSA-N -1 0 422.441 4.050 20 30 HIEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1 ZINC000464914335 878232307 /nfs/dbraw/zinc/23/23/07/878232307.db2.gz DNRILAJDELZOKK-UHFFFAOYSA-N -1 0 412.405 4.255 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000467335201 881083811 /nfs/dbraw/zinc/08/38/11/881083811.db2.gz JWYHMOLXUOBWJS-LBPRGKRZSA-N -1 0 413.528 4.455 20 30 HIEDRM Cc1cc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)cc(C(=O)[O-])c1C ZINC000471121229 885657351 /nfs/dbraw/zinc/65/73/51/885657351.db2.gz GWHSKBIKYDDBOM-GFCCVEGCSA-N -1 0 404.513 4.054 20 30 HIEDRM Cc1sc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1CS(C)(=O)=O ZINC000472399921 887247023 /nfs/dbraw/zinc/24/70/23/887247023.db2.gz YKLCMUAMXSBHKP-HNNXBMFYSA-N -1 0 416.549 4.215 20 30 HIEDRM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000473481577 888203442 /nfs/dbraw/zinc/20/34/42/888203442.db2.gz OAUGOJGXMDPCBQ-OAHLLOKOSA-N -1 0 418.540 4.367 20 30 HIEDRM N#Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)c1 ZINC000473770854 888568582 /nfs/dbraw/zinc/56/85/82/888568582.db2.gz NJINDRWMECSKIC-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000473775741 888577590 /nfs/dbraw/zinc/57/75/90/888577590.db2.gz YUWDBMVAVVGCBY-UHFFFAOYSA-N -1 0 402.491 4.363 20 30 HIEDRM Cn1c(=O)[nH]c2ccc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)cc21 ZINC000504547698 913324198 /nfs/dbraw/zinc/32/41/98/913324198.db2.gz RSWKDKQHOZXRCQ-LLVKDONJSA-N -1 0 410.405 4.171 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1cccc2cnccc21 ZINC000474420213 889283914 /nfs/dbraw/zinc/28/39/14/889283914.db2.gz DAZPMKLVSKMEHJ-MRXNPFEDSA-N -1 0 402.483 4.194 20 30 HIEDRM CCN(CC)S(=O)(=O)c1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1C ZINC000474423241 889287139 /nfs/dbraw/zinc/28/71/39/889287139.db2.gz XTUNYHZOUYRZFF-INIZCTEOSA-N -1 0 419.572 4.096 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1F ZINC000475744935 890687658 /nfs/dbraw/zinc/68/76/58/890687658.db2.gz SGDFJSFSTBXGCH-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479087093 894354308 /nfs/dbraw/zinc/35/43/08/894354308.db2.gz ZYJBCSKZCSSFLH-UHFFFAOYSA-N -1 0 400.891 4.457 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000479479501 894803322 /nfs/dbraw/zinc/80/33/22/894803322.db2.gz LDVBFSWPMGYYBE-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)cc1 ZINC000479493410 894813417 /nfs/dbraw/zinc/81/34/17/894813417.db2.gz ZPYQUYZDUKHOPP-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000479514032 894827491 /nfs/dbraw/zinc/82/74/91/894827491.db2.gz GATXIJPEAYEOBL-AWEZNQCLSA-N -1 0 417.918 4.027 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c1 ZINC000479520158 894830798 /nfs/dbraw/zinc/83/07/98/894830798.db2.gz VZXYRRRMKJQHHB-UHFFFAOYSA-N -1 0 405.888 4.048 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000479521045 894832035 /nfs/dbraw/zinc/83/20/35/894832035.db2.gz ZAKTUWBYMNKKRR-UHFFFAOYSA-N -1 0 417.849 4.126 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1cc(C)ccc1C ZINC000479523369 894832964 /nfs/dbraw/zinc/83/29/64/894832964.db2.gz FQBXJHVUMLQCMN-UHFFFAOYSA-N -1 0 400.891 4.123 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)c1 ZINC000479573308 894866152 /nfs/dbraw/zinc/86/61/52/894866152.db2.gz JOULGCLZLLLECB-UHFFFAOYSA-N -1 0 409.801 4.162 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)cc2)c(F)c1 ZINC000480189388 895586058 /nfs/dbraw/zinc/58/60/58/895586058.db2.gz ITVGRCPVVHSTKX-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM N#CC(=C([O-])c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2ccccc2o1 ZINC000481879268 897250344 /nfs/dbraw/zinc/25/03/44/897250344.db2.gz NSACCBRZIJVNLM-HNNXBMFYSA-N -1 0 413.355 4.463 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481948134 897335942 /nfs/dbraw/zinc/33/59/42/897335942.db2.gz OJWGZFXUWUPAIT-UHFFFAOYSA-N -1 0 406.332 4.022 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000481956254 897345345 /nfs/dbraw/zinc/34/53/45/897345345.db2.gz HUUXRZFGJWRRKT-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1cccc2ncccc21 ZINC000483195547 898852541 /nfs/dbraw/zinc/85/25/41/898852541.db2.gz BKSQMIBCUHWJNP-LJQANCHMSA-N -1 0 404.433 4.162 20 30 HIEDRM COc1c(Br)c(C)sc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483202420 898856570 /nfs/dbraw/zinc/85/65/70/898856570.db2.gz PAECXWUDJXYXTE-JTQLQIEISA-N -1 0 402.273 4.261 20 30 HIEDRM CC(C)COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483222070 898866928 /nfs/dbraw/zinc/86/69/28/898866928.db2.gz SQULFLRUVLKEKE-SFHVURJKSA-N -1 0 411.465 4.340 20 30 HIEDRM N#CC(=C([O-])c1cc(-c2ccc(Br)cc2)[nH]n1)c1cnc2ccccc2n1 ZINC000483230290 898873090 /nfs/dbraw/zinc/87/30/90/898873090.db2.gz PKSQYESSDVURPQ-CQSZACIVSA-N -1 0 418.254 4.272 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)nnn1-c1cccc(Cl)c1 ZINC000483231741 898875889 /nfs/dbraw/zinc/87/58/89/898875889.db2.gz FWPLWBWDMFEIMC-MRXNPFEDSA-N -1 0 416.872 4.306 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(-c4cnn(C)c4)s3)n2)cc1 ZINC000483284433 898920560 /nfs/dbraw/zinc/92/05/60/898920560.db2.gz PDAKWMGRBLOXFN-HNNXBMFYSA-N -1 0 421.507 4.166 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)onc2-c2cccc(Cl)c2)n1 ZINC000483521602 899183127 /nfs/dbraw/zinc/18/31/27/899183127.db2.gz CJXXVKYSYRDCOW-CYBMUJFWSA-N -1 0 415.858 4.427 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000485117669 900424220 /nfs/dbraw/zinc/42/42/20/900424220.db2.gz BZPVRJYLWDODMC-UHFFFAOYSA-N -1 0 400.406 4.216 20 30 HIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485145811 900446341 /nfs/dbraw/zinc/44/63/41/900446341.db2.gz DMMACAFDMSNJOR-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)c1C#N ZINC000488441240 902827812 /nfs/dbraw/zinc/82/78/12/902827812.db2.gz RKRSKXOEDHPSSH-MRXNPFEDSA-N -1 0 420.918 4.269 20 30 HIEDRM CC(C)(C)c1nnsc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000489541675 903452461 /nfs/dbraw/zinc/45/24/61/903452461.db2.gz BREGCHMFCOJJMJ-UHFFFAOYSA-N -1 0 416.557 4.103 20 30 HIEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc4ccccc4s3)cn2)cc1OC ZINC000494878933 906057615 /nfs/dbraw/zinc/05/76/15/906057615.db2.gz QARFVKCDRBIRAG-INIZCTEOSA-N -1 0 418.478 4.048 20 30 HIEDRM COCCOc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000512504649 921204671 /nfs/dbraw/zinc/20/46/71/921204671.db2.gz SOHGAEYIGOTDIA-LJQANCHMSA-N -1 0 403.463 4.197 20 30 HIEDRM CCn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cn1 ZINC000495133206 906261963 /nfs/dbraw/zinc/26/19/63/906261963.db2.gz QOXOIBFPUKSLDF-INIZCTEOSA-N -1 0 402.483 4.215 20 30 HIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000497862259 907340993 /nfs/dbraw/zinc/34/09/93/907340993.db2.gz IDPDAGGWQHHLQV-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1 ZINC000498020823 907517300 /nfs/dbraw/zinc/51/73/00/907517300.db2.gz UNHYNULFZJRHBE-UHFFFAOYSA-N -1 0 409.305 4.217 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1C#N ZINC000498939292 908345285 /nfs/dbraw/zinc/34/52/85/908345285.db2.gz OKJDFUCLVFXHPT-UHFFFAOYSA-N -1 0 418.478 4.194 20 30 HIEDRM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cnc21 ZINC000512952087 921434734 /nfs/dbraw/zinc/43/47/34/921434734.db2.gz AWWCYHLLCMWOGV-KRWDZBQOSA-N -1 0 402.483 4.096 20 30 HIEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000500467317 909874388 /nfs/dbraw/zinc/87/43/88/909874388.db2.gz FUGPEQVBDIWURF-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2nc(C)cs2)nn1-c1c(Cl)cccc1Cl ZINC000501304614 910457245 /nfs/dbraw/zinc/45/72/45/910457245.db2.gz PCMWMVUHWQNYGH-JTQLQIEISA-N -1 0 406.298 4.392 20 30 HIEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cncc(F)c3)cc2Cl)cc1 ZINC000501799031 910850699 /nfs/dbraw/zinc/85/06/99/910850699.db2.gz OFJNHDIZTPRLQL-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)c(Cl)c1 ZINC000502416260 911397951 /nfs/dbraw/zinc/39/79/51/911397951.db2.gz MGLDBUBVPDUQCN-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1OCC1CCOCC1 ZINC000502828204 911841183 /nfs/dbraw/zinc/84/11/83/911841183.db2.gz PRMONESNGIKSLL-UHFFFAOYSA-N -1 0 420.918 4.126 20 30 HIEDRM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502840413 911852826 /nfs/dbraw/zinc/85/28/26/911852826.db2.gz PAXTZRVHYTYJQC-UHFFFAOYSA-N -1 0 405.907 4.306 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000513379539 921753018 /nfs/dbraw/zinc/75/30/18/921753018.db2.gz VJZBOCJYFGGKAI-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000506635617 915303907 /nfs/dbraw/zinc/30/39/07/915303907.db2.gz YLGYBHKZCYZZCI-VIFPVBQESA-N -1 0 404.410 4.296 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cn1 ZINC000513413430 921781984 /nfs/dbraw/zinc/78/19/84/921781984.db2.gz JNBCMGYXZTWHNH-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000507949527 916812394 /nfs/dbraw/zinc/81/23/94/916812394.db2.gz NOPZUMMCDSJRKW-ZDUSSCGKSA-N -1 0 401.303 4.215 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2nc3c(cccc3Br)s2)ccc1C#N ZINC000508103483 916919239 /nfs/dbraw/zinc/91/92/39/916919239.db2.gz PSZWIINTEIRUMK-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)sc1Br ZINC000508110322 916925910 /nfs/dbraw/zinc/92/59/10/916925910.db2.gz CYQRGNIBKANIFZ-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C#N ZINC000508296132 917104153 /nfs/dbraw/zinc/10/41/53/917104153.db2.gz OBNNSXBOWJCHSF-UHFFFAOYSA-N -1 0 401.451 4.176 20 30 HIEDRM C=CCn1c(-c2ccc(CC)cc2)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000508497193 917281222 /nfs/dbraw/zinc/28/12/22/917281222.db2.gz JPLWYDMTPDYNQB-UHFFFAOYSA-N -1 0 406.515 4.040 20 30 HIEDRM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000509210192 917910415 /nfs/dbraw/zinc/91/04/15/917910415.db2.gz JHIVLPNOJJEMON-UHFFFAOYSA-N -1 0 413.524 4.032 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000509241468 917934975 /nfs/dbraw/zinc/93/49/75/917934975.db2.gz RXFYEVVVTSIUPJ-UHFFFAOYSA-N -1 0 418.828 4.343 20 30 HIEDRM CC(C)CCOc1ccc(S(=O)(=O)[N-]c2c(C#N)cnn2C2CCCC2)cc1 ZINC000509247523 917942420 /nfs/dbraw/zinc/94/24/20/917942420.db2.gz LUHHDUIYTZFHDF-UHFFFAOYSA-N -1 0 402.520 4.096 20 30 HIEDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3c(C#N)cnn3C3CCCC3)c2)n1 ZINC000509256000 917947300 /nfs/dbraw/zinc/94/73/00/917947300.db2.gz PKNRKVOFPABXRI-UHFFFAOYSA-N -1 0 413.528 4.103 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cnc3ccccc3c2)cnn1-c1cccc(C#N)c1 ZINC000509397434 918063236 /nfs/dbraw/zinc/06/32/36/918063236.db2.gz UIABJSWQVZXLHS-UHFFFAOYSA-N -1 0 417.494 4.045 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000509569678 918218982 /nfs/dbraw/zinc/21/89/82/918218982.db2.gz OMHXOAYLEXSVAX-UHFFFAOYSA-N -1 0 422.462 4.231 20 30 HIEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000509825198 918426249 /nfs/dbraw/zinc/42/62/49/918426249.db2.gz MOVBLNYKCFFRRZ-UHFFFAOYSA-N -1 0 405.385 4.154 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(OCC(F)(F)F)c1 ZINC000511679933 920343571 /nfs/dbraw/zinc/34/35/71/920343571.db2.gz GANBBGXZGWSTNJ-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000511726833 920392412 /nfs/dbraw/zinc/39/24/12/920392412.db2.gz KTJKBKLIQHOKJT-UHFFFAOYSA-N -1 0 414.464 4.220 20 30 HIEDRM N#CC(=C([O-])c1occc1CS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000513687045 922009271 /nfs/dbraw/zinc/00/92/71/922009271.db2.gz KUCTWJAKYNYCKH-INIZCTEOSA-N -1 0 422.487 4.353 20 30 HIEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000515048414 922889561 /nfs/dbraw/zinc/88/95/61/922889561.db2.gz SFCSGIUGMFYMIN-UHFFFAOYSA-N -1 0 423.450 4.155 20 30 HIEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)nn2)cc1 ZINC000516714143 923858475 /nfs/dbraw/zinc/85/84/75/923858475.db2.gz QUEVEYOVUGDWSB-SFHVURJKSA-N -1 0 410.462 4.061 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3ccccc3c2COC(C)C)n1 ZINC000516795660 923889931 /nfs/dbraw/zinc/88/99/31/923889931.db2.gz SNYGZHKDNFDMLH-AWEZNQCLSA-N -1 0 412.467 4.481 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)nn1C1CCCCC1 ZINC000516899803 923935488 /nfs/dbraw/zinc/93/54/88/923935488.db2.gz WWTZJFBTMIGVBB-UHFFFAOYSA-N -1 0 412.437 4.388 20 30 HIEDRM N#CC(=C([O-])c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc2ccccc2o1 ZINC000517426030 924175612 /nfs/dbraw/zinc/17/56/12/924175612.db2.gz HLBOJIIBDQVCCJ-LJQANCHMSA-N -1 0 416.458 4.292 20 30 HIEDRM CSc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1NC(C)=O ZINC000517891218 926878599 /nfs/dbraw/zinc/87/85/99/926878599.db2.gz MFFSAYGPJDRDQS-OAHLLOKOSA-N -1 0 408.508 4.375 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccccc2Oc2cccc(C)c2)cc1C#N ZINC000518049767 926987779 /nfs/dbraw/zinc/98/77/79/926987779.db2.gz OYTKZKHKQRWXQF-UHFFFAOYSA-N -1 0 405.479 4.412 20 30 HIEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1C ZINC000518112030 927025720 /nfs/dbraw/zinc/02/57/20/927025720.db2.gz FPHGFPVYTNFSQY-GFCCVEGCSA-N -1 0 405.501 4.264 20 30 HIEDRM N#CC(=C([O-])c1ccccc1CS(=O)(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000518720337 927453701 /nfs/dbraw/zinc/45/37/01/927453701.db2.gz XLYBQLBDWQCOOW-LJQANCHMSA-N -1 0 416.458 4.292 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000518870968 927581534 /nfs/dbraw/zinc/58/15/34/927581534.db2.gz OGDIWWIWDYCUNM-CYBMUJFWSA-N -1 0 407.405 4.159 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519397341 927922251 /nfs/dbraw/zinc/92/22/51/927922251.db2.gz AZCKJFVTAZPQGZ-NSHDSACASA-N -1 0 411.892 4.301 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000519401353 927924213 /nfs/dbraw/zinc/92/42/13/927924213.db2.gz WNXVPJKOYZHWHB-UHFFFAOYSA-N -1 0 411.430 4.384 20 30 HIEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000519993280 928219942 /nfs/dbraw/zinc/21/99/42/928219942.db2.gz ASAAOAJEYMGGEQ-UHFFFAOYSA-N -1 0 409.423 4.368 20 30 HIEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 ZINC000520431902 928561337 /nfs/dbraw/zinc/56/13/37/928561337.db2.gz BIVCVAAYSQMUOW-ZDUSSCGKSA-N -1 0 409.421 4.169 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1C ZINC000520801772 928824819 /nfs/dbraw/zinc/82/48/19/928824819.db2.gz KKLURWKPHPQAML-LBPRGKRZSA-N -1 0 405.501 4.264 20 30 HIEDRM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000521026249 928943362 /nfs/dbraw/zinc/94/33/62/928943362.db2.gz FRLMHXGQGCZCRG-UHFFFAOYSA-N -1 0 401.532 4.479 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1C ZINC000521328372 929142475 /nfs/dbraw/zinc/14/24/75/929142475.db2.gz PGPRIAYJIJWCBL-ZDUSSCGKSA-N -1 0 405.501 4.407 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc(Cl)c1 ZINC000521343122 929158333 /nfs/dbraw/zinc/15/83/33/929158333.db2.gz SHHCYZLFSYHEBZ-CQSZACIVSA-N -1 0 419.794 4.387 20 30 HIEDRM C=CC1CCN(C(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000524696580 929803408 /nfs/dbraw/zinc/80/34/08/929803408.db2.gz SVGVEXFVYPKQNF-UHFFFAOYSA-N -1 0 404.919 4.179 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(N4CCCCC4)n3)n2)cc1 ZINC000524810020 929838591 /nfs/dbraw/zinc/83/85/91/929838591.db2.gz LKTFRAJCJXCTEQ-QGZVFWFLSA-N -1 0 403.511 4.389 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000525435242 930237955 /nfs/dbraw/zinc/23/79/55/930237955.db2.gz SSKRUKSQULAKFA-KRWDZBQOSA-N -1 0 409.536 4.397 20 30 HIEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1C(F)F ZINC000534057789 932234843 /nfs/dbraw/zinc/23/48/43/932234843.db2.gz ULHOWARPKGTMJW-UHFFFAOYSA-N -1 0 422.379 4.168 20 30 HIEDRM CCS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000534240067 932358619 /nfs/dbraw/zinc/35/86/19/932358619.db2.gz MPFZGARCRSMFOA-CQSZACIVSA-N -1 0 404.900 4.233 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c1Cl ZINC000538296489 938586055 /nfs/dbraw/zinc/58/60/55/938586055.db2.gz MEQVZMXNXLWWAY-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccnc3OCC(F)F)n2)cc1 ZINC000538767095 938705815 /nfs/dbraw/zinc/70/58/15/938705815.db2.gz WOAKEKNTTPLNDE-HNNXBMFYSA-N -1 0 415.421 4.348 20 30 HIEDRM C=C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000761806888 939068942 /nfs/dbraw/zinc/06/89/42/939068942.db2.gz CHQSUKJKUKXNMU-JLTOFOAXSA-N -1 0 402.288 4.225 20 30 HIEDRM C=CCOc1cccc(NC(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000797739468 939201635 /nfs/dbraw/zinc/20/16/35/939201635.db2.gz KHPHTCJLMURXMP-LJQANCHMSA-N -1 0 419.275 4.135 20 30 HIEDRM N#CCC1CCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000541051953 939442794 /nfs/dbraw/zinc/44/27/94/939442794.db2.gz PZYBJGNPINKEIJ-UHFFFAOYSA-N -1 0 403.891 4.125 20 30 HIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000541123702 939469396 /nfs/dbraw/zinc/46/93/96/939469396.db2.gz FOMHLWSHFWAIQM-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000542234205 939768408 /nfs/dbraw/zinc/76/84/08/939768408.db2.gz QNXSLZPXCKRBBC-UHFFFAOYSA-N -1 0 420.359 4.443 20 30 HIEDRM COCCn1cc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c(C)n1 ZINC000543879412 940222741 /nfs/dbraw/zinc/22/27/41/940222741.db2.gz GBGWIDQVXWYEMQ-QCYTXABWSA-N -1 0 424.570 4.252 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000544726526 940507835 /nfs/dbraw/zinc/50/78/35/940507835.db2.gz UCQQAXLXYYSIKM-JTQLQIEISA-N -1 0 401.307 4.095 20 30 HIEDRM N#CC(=C([O-])c1cnc2nccnc2c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000544817229 940516981 /nfs/dbraw/zinc/51/69/81/940516981.db2.gz HCJRXMIYPMNUJF-ULYJJNKVSA-N -1 0 415.522 4.439 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4c(c3)CCO4)n2)c(Cl)c1 ZINC000546564244 940854445 /nfs/dbraw/zinc/85/44/45/940854445.db2.gz VLRBKUBQPWQVRC-UHFFFAOYSA-N -1 0 411.870 4.009 20 30 HIEDRM Cc1c(C2CC2)nc2ccc(Br)cc2c1C([O-])=C(C#N)c1ccncn1 ZINC000546859703 940896817 /nfs/dbraw/zinc/89/68/17/940896817.db2.gz PKYIOOVMQUXBFF-OAHLLOKOSA-N -1 0 407.271 4.463 20 30 HIEDRM COC(=O)c1coc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000546864002 940897550 /nfs/dbraw/zinc/89/75/50/940897550.db2.gz QACUTCOGKOGUHV-UTQJESMHSA-N -1 0 410.495 4.481 20 30 HIEDRM COCCOc1cncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000549085638 941155026 /nfs/dbraw/zinc/15/50/26/941155026.db2.gz DQOQWIPSHSNMFF-KRWDZBQOSA-N -1 0 413.886 4.374 20 30 HIEDRM CCOc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000555077692 942379444 /nfs/dbraw/zinc/37/94/44/942379444.db2.gz DGGQVPLEMVXTLU-ZDUSSCGKSA-N -1 0 400.341 4.228 20 30 HIEDRM C=CCN(C(=O)Nc1ccc2cnn(C(C)C)c2c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000555851578 942754129 /nfs/dbraw/zinc/75/41/29/942754129.db2.gz HQMIOWIFMZYGSU-OAQYLSRUSA-N -1 0 406.486 4.333 20 30 HIEDRM Cc1c(Br)cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000556566627 942899961 /nfs/dbraw/zinc/89/99/61/942899961.db2.gz LKLNHGTZQLNZAU-LBPRGKRZSA-N -1 0 400.188 4.297 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(F)(F)F)n3)cc2)o1 ZINC000558038384 943363965 /nfs/dbraw/zinc/36/39/65/943363965.db2.gz WZVSBCLUMQLZEB-UHFFFAOYSA-N -1 0 409.345 4.158 20 30 HIEDRM Cn1cnc2c1nccc2C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000558190000 943423598 /nfs/dbraw/zinc/42/35/98/943423598.db2.gz CBEHGPGPMPPTCN-XYUGOERHSA-N -1 0 417.538 4.383 20 30 HIEDRM C[C@H](c1cccc(Br)c1)N(CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1 ZINC000559413065 943940907 /nfs/dbraw/zinc/94/09/07/943940907.db2.gz FGNPMJSYDNTOFL-GFCCVEGCSA-N -1 0 402.248 4.000 20 30 HIEDRM N#CC(=C([O-])c1cc(Br)cnc1OCC1CC1)c1nc2ccccc2o1 ZINC000560552411 944252640 /nfs/dbraw/zinc/25/26/40/944252640.db2.gz COVDBKARLNNNGH-AWEZNQCLSA-N -1 0 412.243 4.264 20 30 HIEDRM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000562236365 945036631 /nfs/dbraw/zinc/03/66/31/945036631.db2.gz HJPOAINXQCKZND-UHFFFAOYSA-N -1 0 404.797 4.178 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(F)cc1F ZINC000562292242 945054159 /nfs/dbraw/zinc/05/41/59/945054159.db2.gz MVJLSGHDVKESRH-ZDUSSCGKSA-N -1 0 406.314 4.363 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000564442790 945591414 /nfs/dbraw/zinc/59/14/14/945591414.db2.gz MVQRRHCXXDLMCK-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cnn1-c1ccccc1Cl ZINC000567008463 946216520 /nfs/dbraw/zinc/21/65/20/946216520.db2.gz PVQRNKNYZLZKID-UHFFFAOYSA-N -1 0 418.881 4.461 20 30 HIEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)Cc3ccc(F)c(Cl)c3)n2)cc1 ZINC000568019503 946443640 /nfs/dbraw/zinc/44/36/40/946443640.db2.gz CYPQBNCZZXWBIW-UHFFFAOYSA-N -1 0 407.879 4.416 20 30 HIEDRM N#Cc1csc(/C=C(/CC(=O)[O-])c2nc3cc(Br)ccc3s2)n1 ZINC000569866568 947025703 /nfs/dbraw/zinc/02/57/03/947025703.db2.gz MBPNGSAMCWHCOP-BAQGIRSFSA-N -1 0 406.286 4.402 20 30 HIEDRM N#Cc1cc(NC(=O)c2cccc(Br)c2[O-])ccc1OCC(F)(F)F ZINC000570874204 947378524 /nfs/dbraw/zinc/37/85/24/947378524.db2.gz RXEJPLZBPCYQRU-UHFFFAOYSA-N -1 0 415.165 4.220 20 30 HIEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)n2)cc1 ZINC000572103597 947845168 /nfs/dbraw/zinc/84/51/68/947845168.db2.gz GKCLDLRABWCAPZ-UHFFFAOYSA-N -1 0 407.879 4.416 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(C(F)(F)F)c3)s2)o1 ZINC000572438982 947905128 /nfs/dbraw/zinc/90/51/28/947905128.db2.gz FYBLBIQIIHYWPQ-UHFFFAOYSA-N -1 0 413.402 4.018 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)c(Cl)c1 ZINC000574009809 948349109 /nfs/dbraw/zinc/34/91/09/948349109.db2.gz VGRVYBBHRIWDRX-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436005535 861293735 /nfs/dbraw/zinc/29/37/35/861293735.db2.gz RNGDIJOCENCPCA-OAHLLOKOSA-N -1 0 410.524 4.196 20 30 HIEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3nnc(-c4ccccc4Cl)s3)on2)c1 ZINC000436448390 861806623 /nfs/dbraw/zinc/80/66/23/861806623.db2.gz KHYPGPDUDDYZKF-UHFFFAOYSA-N -1 0 407.842 4.637 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000034997204 848142882 /nfs/dbraw/zinc/14/28/82/848142882.db2.gz DRARTDZTQOZJIG-SFHVURJKSA-N -1 0 418.515 4.296 20 30 HIEDRM CCOc1ccc(-c2nc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cs2)cc1 ZINC000041505442 848223173 /nfs/dbraw/zinc/22/31/73/848223173.db2.gz XZAJOUOAZYJZHQ-MRXNPFEDSA-N -1 0 407.499 4.017 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)n1 ZINC000041516953 848225934 /nfs/dbraw/zinc/22/59/34/848225934.db2.gz BRLIZMDLSPVFMB-CQSZACIVSA-N -1 0 409.471 4.390 20 30 HIEDRM Cc1nn(Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)c(C)c1[N+](=O)[O-] ZINC000041544081 848228256 /nfs/dbraw/zinc/22/82/56/848228256.db2.gz KKWPWZQRMMFCIA-QGZVFWFLSA-N -1 0 415.409 4.088 20 30 HIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4o3)cs2)cc1OC ZINC000041543149 848228565 /nfs/dbraw/zinc/22/85/65/848228565.db2.gz RRYOPXBLIKKVOY-ZDUSSCGKSA-N -1 0 405.435 4.459 20 30 HIEDRM CCCCCn1nc(C([O-])=C(C#N)c2nc3ccccc3o2)c2ccccc2c1=O ZINC000041547678 848229775 /nfs/dbraw/zinc/22/97/75/848229775.db2.gz UQZRGPLAIMNKIB-KRWDZBQOSA-N -1 0 400.438 4.218 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(C(F)(F)F)cn1 ZINC000041553496 848230686 /nfs/dbraw/zinc/23/06/86/848230686.db2.gz GJEUODPGRRZRKK-MRXNPFEDSA-N -1 0 414.362 4.404 20 30 HIEDRM C=C(CNC(=O)c1cc(Br)c([O-])c(Br)c1)c1ccccc1 ZINC000436732754 861916768 /nfs/dbraw/zinc/91/67/68/861916768.db2.gz FISGJLABAJYGOR-UHFFFAOYSA-N -1 0 411.093 4.360 20 30 HIEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Br)cc3[O-])s2)cc1 ZINC000436740889 861925907 /nfs/dbraw/zinc/92/59/07/861925907.db2.gz TUKUTPIPBTYVEV-UHFFFAOYSA-N -1 0 414.284 4.326 20 30 HIEDRM N#CC(=C([O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000047359084 849031784 /nfs/dbraw/zinc/03/17/84/849031784.db2.gz AUYOYFHEEAVJAD-GOSISDBHSA-N -1 0 404.433 4.301 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)n1 ZINC000048789032 849269460 /nfs/dbraw/zinc/26/94/60/849269460.db2.gz LCZGMCZUSZJQRA-LJQANCHMSA-N -1 0 410.520 4.224 20 30 HIEDRM CC(C)Sc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049396058 849308535 /nfs/dbraw/zinc/30/85/35/849308535.db2.gz MLDCNFZJEHQQOH-QGZVFWFLSA-N -1 0 404.499 4.188 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3[N+](=O)[O-])cc2)s1 ZINC000052189721 849559199 /nfs/dbraw/zinc/55/91/99/849559199.db2.gz UJNXIDUFPVSFGN-UHFFFAOYSA-N -1 0 415.452 4.430 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000055591973 850066807 /nfs/dbraw/zinc/06/68/07/850066807.db2.gz YXNOATLTDNSUFI-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000105262037 852694736 /nfs/dbraw/zinc/69/47/36/852694736.db2.gz FVFRZMJJECCJBZ-LJQANCHMSA-N -1 0 404.514 4.048 20 30 HIEDRM CC(C)NC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000195662735 853744417 /nfs/dbraw/zinc/74/44/17/853744417.db2.gz XFUBPTVHKVOJKH-KRWDZBQOSA-N -1 0 405.483 4.225 20 30 HIEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000301757108 854460337 /nfs/dbraw/zinc/46/03/37/854460337.db2.gz BATANZIZMUWFKZ-UHFFFAOYSA-N -1 0 413.282 4.109 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(F)(F)F)c1 ZINC000390325003 855453524 /nfs/dbraw/zinc/45/35/24/855453524.db2.gz RGJDNBJKMDBKSV-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM Cc1cc(Cl)ccc1Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000409526825 855524507 /nfs/dbraw/zinc/52/45/07/855524507.db2.gz ILDKBJKIINVMBM-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000426526376 856334398 /nfs/dbraw/zinc/33/43/98/856334398.db2.gz YNHLKKSWQKLNAJ-NSHDSACASA-N -1 0 402.781 4.482 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2C(C)C)cc1C#N ZINC000427332767 856777323 /nfs/dbraw/zinc/77/73/23/856777323.db2.gz XDIRPFHTPIMTDZ-UHFFFAOYSA-N -1 0 415.906 4.025 20 30 HIEDRM Cc1cc(Cl)ccc1Cc1cnc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)s1 ZINC000427763606 856944015 /nfs/dbraw/zinc/94/40/15/856944015.db2.gz ROAFIQGMRIJNMT-UHFFFAOYSA-N -1 0 418.931 4.072 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(F)(F)F)s2)cc1F ZINC000427768296 856946355 /nfs/dbraw/zinc/94/63/55/856946355.db2.gz QVGIYDPKJCLSLM-UHFFFAOYSA-N -1 0 401.366 4.127 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cn(C)c(=O)c4ccccc34)n2)cc1 ZINC000429103951 857510811 /nfs/dbraw/zinc/51/08/11/857510811.db2.gz DLCMQGKJVKMETO-SFHVURJKSA-N -1 0 415.474 4.161 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(CC(C)C)c2-c2ccccc2)n1 ZINC000429111834 857514431 /nfs/dbraw/zinc/51/44/31/857514431.db2.gz GJNXKIAYQQAEKA-MRXNPFEDSA-N -1 0 422.510 4.329 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)[nH]1 ZINC000429673742 857829368 /nfs/dbraw/zinc/82/93/68/857829368.db2.gz WQBMVHMFIVVKPL-DDBYQKKSSA-N -1 0 409.511 4.216 20 30 HIEDRM COCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430601493 858233505 /nfs/dbraw/zinc/23/35/05/858233505.db2.gz UOLRTRQSFNDYHD-INIZCTEOSA-N -1 0 424.526 4.142 20 30 HIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ncoc2-c2ccc3c(c2)OCCO3)s1 ZINC000430603412 858233759 /nfs/dbraw/zinc/23/37/59/858233759.db2.gz NJNFOVQNRZSNPP-CYBMUJFWSA-N -1 0 409.467 4.357 20 30 HIEDRM N#CC(=C([O-])c1ccc(Br)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000432229493 859057827 /nfs/dbraw/zinc/05/78/27/859057827.db2.gz RCNHNOVCPYOJFU-LLVKDONJSA-N -1 0 414.137 4.261 20 30 HIEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(COc3ccc(CC#N)cc3)c2)s1 ZINC000433500150 859737047 /nfs/dbraw/zinc/73/70/47/859737047.db2.gz VLMQBWBNSMGDTH-UHFFFAOYSA-N -1 0 413.524 4.206 20 30 HIEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000434626096 860437334 /nfs/dbraw/zinc/43/73/34/860437334.db2.gz HAGYOPZWDYDDHM-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM C=CCC(CC=C)C(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000467741378 881543983 /nfs/dbraw/zinc/54/39/83/881543983.db2.gz RIWGYYLZWVHEFC-UHFFFAOYSA-N -1 0 418.490 4.342 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000435141503 860661995 /nfs/dbraw/zinc/66/19/95/860661995.db2.gz PJBWBUMUIRBRAP-UHFFFAOYSA-N -1 0 413.268 4.072 20 30 HIEDRM CC(=Cc1cnc(-c2ccc(Br)cc2)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337683 860747442 /nfs/dbraw/zinc/74/74/42/860747442.db2.gz XWZBGSZBIWZAPO-JXMROGBWSA-N -1 0 413.300 4.397 20 30 HIEDRM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccc(C#N)s3)c2)cc1 ZINC000435489653 860818783 /nfs/dbraw/zinc/81/87/83/860818783.db2.gz CNQPGXLJJUJNHR-UHFFFAOYSA-N -1 0 409.492 4.066 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)ccc1C#N ZINC000435719566 861005554 /nfs/dbraw/zinc/00/55/54/861005554.db2.gz NXGYBAGKGWJRFF-UHFFFAOYSA-N -1 0 414.874 4.248 20 30 HIEDRM COCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1 ZINC000467835452 881669537 /nfs/dbraw/zinc/66/95/37/881669537.db2.gz UBHMBNSQADSKQP-OAHLLOKOSA-N -1 0 421.407 4.254 20 30 HIEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000438758320 864252515 /nfs/dbraw/zinc/25/25/15/864252515.db2.gz NMPJOVKKAQJZNK-UHFFFAOYSA-N -1 0 422.388 4.202 20 30 HIEDRM CCn1cnc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)c1 ZINC000439569068 864891865 /nfs/dbraw/zinc/89/18/65/864891865.db2.gz JZFUXDBVFVOSBU-UHFFFAOYSA-N -1 0 402.863 4.021 20 30 HIEDRM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000440817356 865933764 /nfs/dbraw/zinc/93/37/64/865933764.db2.gz GKLOGFSQPNLSRN-UHFFFAOYSA-N -1 0 402.516 4.001 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C2CCCCC2)c1C#N ZINC000441339524 866410629 /nfs/dbraw/zinc/41/06/29/866410629.db2.gz WFPQRNUVDAUGNC-UHFFFAOYSA-N -1 0 411.527 4.072 20 30 HIEDRM C=CCC[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000441745572 866832467 /nfs/dbraw/zinc/83/24/67/866832467.db2.gz UQCBTTAMOCXNPU-KRWDZBQOSA-N -1 0 417.387 4.486 20 30 HIEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)cc1 ZINC000442327787 867329066 /nfs/dbraw/zinc/32/90/66/867329066.db2.gz BORNNHCAXHXKKD-UHFFFAOYSA-N -1 0 422.462 4.328 20 30 HIEDRM COCc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(-c2ccccc2)s1 ZINC000442510908 867489702 /nfs/dbraw/zinc/48/97/02/867489702.db2.gz CXKDVZIBFNXHEV-OAHLLOKOSA-N -1 0 400.463 4.390 20 30 HIEDRM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2O1 ZINC000442834351 867692141 /nfs/dbraw/zinc/69/21/41/867692141.db2.gz JZWKVWWMSOMGMS-QGZVFWFLSA-N -1 0 412.389 4.275 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443406556 867987911 /nfs/dbraw/zinc/98/79/11/867987911.db2.gz MYQKOTKKUITFKZ-UHFFFAOYSA-N -1 0 409.389 4.037 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)ccc1C(F)(F)F ZINC000443410469 867992418 /nfs/dbraw/zinc/99/24/18/867992418.db2.gz AIINWRJEMOADHA-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c(C(F)F)n1 ZINC000443411711 867995060 /nfs/dbraw/zinc/99/50/60/867995060.db2.gz GMDRRTAYXGWHJV-UHFFFAOYSA-N -1 0 422.379 4.168 20 30 HIEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443439839 868025315 /nfs/dbraw/zinc/02/53/15/868025315.db2.gz CCFLWPSYJGKWNW-INIZCTEOSA-N -1 0 413.808 4.275 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC(Cc2ccccc2)Cc2ccccc2)cc1C#N ZINC000468439645 882381225 /nfs/dbraw/zinc/38/12/25/882381225.db2.gz RLHORVQPELANNM-UHFFFAOYSA-N -1 0 417.534 4.212 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)Cc3cc(Cl)ccc3F)s2)cc1 ZINC000446827494 870742955 /nfs/dbraw/zinc/74/29/55/870742955.db2.gz UEGTZEBHVVKVMO-UHFFFAOYSA-N -1 0 421.906 4.340 20 30 HIEDRM C=C(C)[C@@H](CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C)OCC ZINC000447636216 871550977 /nfs/dbraw/zinc/55/09/77/871550977.db2.gz JIMSYKYSUTZDEQ-LJQANCHMSA-N -1 0 420.506 4.245 20 30 HIEDRM COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(-c3ccc(C#N)cc3F)nc2c1 ZINC000448108650 871958595 /nfs/dbraw/zinc/95/85/95/871958595.db2.gz QLAGNKYAMTWYPP-UHFFFAOYSA-N -1 0 422.441 4.050 20 30 HIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000460839412 873729115 /nfs/dbraw/zinc/72/91/15/873729115.db2.gz ZDSBPRAGTIPPBT-UHFFFAOYSA-N -1 0 418.421 4.165 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1C(F)(F)F ZINC000461110011 874032068 /nfs/dbraw/zinc/03/20/68/874032068.db2.gz IPJXLOOZUDMRMW-UHFFFAOYSA-N -1 0 400.325 4.458 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1Br ZINC000461113049 874035807 /nfs/dbraw/zinc/03/58/07/874035807.db2.gz LZBJSDXBOOHDLH-UHFFFAOYSA-N -1 0 411.224 4.202 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461117316 874041014 /nfs/dbraw/zinc/04/10/14/874041014.db2.gz SJQGHNCVQLMUCM-UHFFFAOYSA-N -1 0 400.325 4.458 20 30 HIEDRM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000468833784 882882025 /nfs/dbraw/zinc/88/20/25/882882025.db2.gz FNOQYCSOHBWVIX-GFCCVEGCSA-N -1 0 406.314 4.363 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000463521324 876587355 /nfs/dbraw/zinc/58/73/55/876587355.db2.gz ZXXQLEFWJHTSKN-UHFFFAOYSA-N -1 0 405.435 4.032 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1OCC(F)(F)F ZINC000463523722 876592347 /nfs/dbraw/zinc/59/23/47/876592347.db2.gz DHYZGCUNPHHZEF-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000463528010 876601233 /nfs/dbraw/zinc/60/12/33/876601233.db2.gz RWCYFKBTGYZEQN-UHFFFAOYSA-N -1 0 424.438 4.019 20 30 HIEDRM CCOc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464397039 877598117 /nfs/dbraw/zinc/59/81/17/877598117.db2.gz GPCHLICCLDSVBD-NSHDSACASA-N -1 0 403.282 4.403 20 30 HIEDRM CCOc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464397036 877599126 /nfs/dbraw/zinc/59/91/26/877599126.db2.gz GPCHLICCLDSVBD-LLVKDONJSA-N -1 0 403.282 4.403 20 30 HIEDRM COc1cccc(-c2nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c(C)[nH]2)c1 ZINC000464411779 877616094 /nfs/dbraw/zinc/61/60/94/877616094.db2.gz QSEUUKYXDPYDLN-HNNXBMFYSA-N -1 0 400.360 4.298 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2Cl)s1 ZINC000464415083 877621741 /nfs/dbraw/zinc/62/17/41/877621741.db2.gz RVNZXFZRKBDQFX-UHFFFAOYSA-N -1 0 419.915 4.068 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(Cc2cccc(Cl)c2)s1 ZINC000464415395 877622009 /nfs/dbraw/zinc/62/20/09/877622009.db2.gz WKAAPFSXCSRPKZ-UHFFFAOYSA-N -1 0 419.915 4.068 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccnc1Nc1ccc(Cl)cc1 ZINC000464414656 877622248 /nfs/dbraw/zinc/62/22/48/877622248.db2.gz MWJPRGBRGDXNAD-UHFFFAOYSA-N -1 0 414.874 4.160 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc(Cl)c1 ZINC000464473474 877694440 /nfs/dbraw/zinc/69/44/40/877694440.db2.gz RWPCXYXOOCWTCS-AWEZNQCLSA-N -1 0 405.767 4.133 20 30 HIEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000464657146 877877605 /nfs/dbraw/zinc/87/76/05/877877605.db2.gz AOJULNHHDVMCEA-UHFFFAOYSA-N -1 0 403.486 4.156 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Br)c3n2)cc1Cl ZINC000465585049 879065662 /nfs/dbraw/zinc/06/56/62/879065662.db2.gz KIYCKOBDDFSQTL-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)cn2)cc1 ZINC000466346969 880103071 /nfs/dbraw/zinc/10/30/71/880103071.db2.gz OMBAQXAHPNQCFP-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000467199289 880928679 /nfs/dbraw/zinc/92/86/79/880928679.db2.gz ZBKXRVNVTCYWOQ-MRXNPFEDSA-N -1 0 415.478 4.198 20 30 HIEDRM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000469135375 883231764 /nfs/dbraw/zinc/23/17/64/883231764.db2.gz ZWSLGTKTFNQGHE-LLVKDONJSA-N -1 0 415.298 4.080 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)c(Cl)c1 ZINC000504018673 912923871 /nfs/dbraw/zinc/92/38/71/912923871.db2.gz CZQNQPYEJHELRR-UHFFFAOYSA-N -1 0 418.837 4.079 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c(Cl)cc1F ZINC000471134420 885674736 /nfs/dbraw/zinc/67/47/36/885674736.db2.gz SYTFSUWGKMNTNZ-UHFFFAOYSA-N -1 0 422.787 4.401 20 30 HIEDRM O=C(CCOCC(F)(F)C(F)(F)F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000504299972 913151308 /nfs/dbraw/zinc/15/13/08/913151308.db2.gz VXBOZQOIVOBFPZ-LLVKDONJSA-N -1 0 415.227 4.289 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000473760045 888551941 /nfs/dbraw/zinc/55/19/41/888551941.db2.gz IMCQIRDDGLHKEO-UHFFFAOYSA-N -1 0 407.557 4.133 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)s[n-]1 ZINC000473830139 888663262 /nfs/dbraw/zinc/66/32/62/888663262.db2.gz QHALOANSVMTQSP-HZPDHXFCSA-N -1 0 409.540 4.301 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)nc2n(c3=O)CCCCC2)n1 ZINC000474437881 889302858 /nfs/dbraw/zinc/30/28/58/889302858.db2.gz ILJDCLZCEOYAHO-INIZCTEOSA-N -1 0 406.511 4.193 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000475786639 890728516 /nfs/dbraw/zinc/72/85/16/890728516.db2.gz GXDIGHWWXBLGMV-UHFFFAOYSA-N -1 0 408.439 4.205 20 30 HIEDRM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000476273193 891194059 /nfs/dbraw/zinc/19/40/59/891194059.db2.gz BDAVSBXBFWXUKV-UHFFFAOYSA-N -1 0 415.696 4.092 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)cc1C#N ZINC000476442028 891354611 /nfs/dbraw/zinc/35/46/11/891354611.db2.gz VMKMZPDGXTYSSA-UHFFFAOYSA-N -1 0 403.454 4.244 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1C#N ZINC000476734341 891700915 /nfs/dbraw/zinc/70/09/15/891700915.db2.gz BMUGCBGFAQVEQI-UHFFFAOYSA-N -1 0 408.508 4.320 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1C#N ZINC000476770692 891744807 /nfs/dbraw/zinc/74/48/07/891744807.db2.gz YZFXAALUUWKNRW-UHFFFAOYSA-N -1 0 419.466 4.277 20 30 HIEDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000479137773 894406116 /nfs/dbraw/zinc/40/61/16/894406116.db2.gz VVPYEFBSTPOSQX-UHFFFAOYSA-N -1 0 421.309 4.468 20 30 HIEDRM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000479332040 894625616 /nfs/dbraw/zinc/62/56/16/894625616.db2.gz BNKIAYJVNVNPCY-UHFFFAOYSA-N -1 0 418.780 4.038 20 30 HIEDRM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479493345 894813126 /nfs/dbraw/zinc/81/31/26/894813126.db2.gz WPWFBHMJFPHZMW-VWLOTQADSA-N -1 0 410.948 4.060 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2OC(F)F)c1 ZINC000479511984 894824650 /nfs/dbraw/zinc/82/46/50/894824650.db2.gz AEFDWYPHNCTOGW-UHFFFAOYSA-N -1 0 424.759 4.215 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1Br ZINC000480162523 895551603 /nfs/dbraw/zinc/55/16/03/895551603.db2.gz QVDWWYHOEUWGGV-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1[N+](=O)[O-] ZINC000480175787 895566432 /nfs/dbraw/zinc/56/64/32/895566432.db2.gz CIQLMKWGOWCBAD-GFCCVEGCSA-N -1 0 405.501 4.264 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cnn1-c1ccc(Cl)cc1 ZINC000480243946 895653499 /nfs/dbraw/zinc/65/34/99/895653499.db2.gz FYMVJHMCKUKBDI-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1-c1ccc(Cl)cc1 ZINC000480252510 895662535 /nfs/dbraw/zinc/66/25/35/895662535.db2.gz URSIBIYBAWYGAF-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)cn2)C[C@@H](C)O1 ZINC000505426644 914091086 /nfs/dbraw/zinc/09/10/86/914091086.db2.gz BOTDKWCSCVZJFM-GPMSIDNRSA-N -1 0 418.522 4.309 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)cc1C#N ZINC000481872755 897244003 /nfs/dbraw/zinc/24/40/03/897244003.db2.gz WUAXDPDFYIRXCX-UHFFFAOYSA-N -1 0 419.909 4.415 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)cc1Cl ZINC000481886477 897260760 /nfs/dbraw/zinc/26/07/60/897260760.db2.gz KIGGIHSADOZTCG-UHFFFAOYSA-N -1 0 400.268 4.382 20 30 HIEDRM C=C(C)CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000482257833 897740348 /nfs/dbraw/zinc/74/03/48/897740348.db2.gz MCVNUNIDSCJDKW-UHFFFAOYSA-N -1 0 413.326 4.442 20 30 HIEDRM N#CC(=C([O-])c1ccc(S(=O)(=O)c2ccccc2)s1)c1cnc2ccccc2n1 ZINC000483198291 898853840 /nfs/dbraw/zinc/85/38/40/898853840.db2.gz LIWHZGHIHXJSPJ-HNNXBMFYSA-N -1 0 419.487 4.014 20 30 HIEDRM CN(C(=O)c1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1)c1ccccc1 ZINC000483198796 898854430 /nfs/dbraw/zinc/85/44/30/898854430.db2.gz IKLGYEPWDBPVDA-HXUWFJFHSA-N -1 0 406.445 4.396 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483232881 898877195 /nfs/dbraw/zinc/87/71/95/898877195.db2.gz HYDKHKUSZNGCOD-IBGZPJMESA-N -1 0 403.507 4.342 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2sc(N3CCCC3)nc2s1 ZINC000483436493 899070353 /nfs/dbraw/zinc/07/03/53/899070353.db2.gz TWVLFEPBBKSCNN-GFCCVEGCSA-N -1 0 407.524 4.335 20 30 HIEDRM N#CC(=C([O-])c1cnnn1-c1c(Cl)cccc1Cl)c1cnc2ccccc2n1 ZINC000483993786 899633388 /nfs/dbraw/zinc/63/33/88/899633388.db2.gz LVHFTZICPJQSQS-NSHDSACASA-N -1 0 409.236 4.007 20 30 HIEDRM N#Cc1cccc(COc2ccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2F)c1 ZINC000506199271 914842408 /nfs/dbraw/zinc/84/24/08/914842408.db2.gz ORDZVNOHEUQAFE-UHFFFAOYSA-N -1 0 407.357 4.142 20 30 HIEDRM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)c12 ZINC000512490096 921196624 /nfs/dbraw/zinc/19/66/24/921196624.db2.gz VREQOHKJMWARDA-KRWDZBQOSA-N -1 0 412.478 4.070 20 30 HIEDRM N#C[C@@H](C(=O)c1ccn(-c2ccc(Br)cc2)n1)c1nc2ccccc2[nH]1 ZINC000495236833 906326783 /nfs/dbraw/zinc/32/67/83/906326783.db2.gz LHBJGVBWVXVZAY-AWEZNQCLSA-N -1 0 406.243 4.001 20 30 HIEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c[nH]1 ZINC000496225715 906632174 /nfs/dbraw/zinc/63/21/74/906632174.db2.gz MQCYLWAGOZYVEJ-CPUAJEGOSA-N -1 0 409.511 4.216 20 30 HIEDRM N#Cc1cnn(-c2ccc(C(=O)Nc3c([O-])c(Cl)cc(Cl)c3Cl)cc2)c1N ZINC000497125306 906809395 /nfs/dbraw/zinc/80/93/95/906809395.db2.gz OADJHZVLKUPDJY-UHFFFAOYSA-N -1 0 422.659 4.244 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1C1CCOCC1 ZINC000500464526 909872980 /nfs/dbraw/zinc/87/29/80/909872980.db2.gz OWQVMHBLZNLFLQ-GOSISDBHSA-N -1 0 417.494 4.028 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2nc(C)cs2)nn1-c1c(Cl)cccc1Cl ZINC000501304617 910459049 /nfs/dbraw/zinc/45/90/49/910459049.db2.gz PCMWMVUHWQNYGH-SNVBAGLBSA-N -1 0 406.298 4.392 20 30 HIEDRM N#CC(=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2ccccc2o1 ZINC000501308597 910460915 /nfs/dbraw/zinc/46/09/15/910460915.db2.gz UUTGEVPWYZQMRM-CYBMUJFWSA-N -1 0 403.829 4.429 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3cccc(Cl)c3n2)c1 ZINC000502411710 911393205 /nfs/dbraw/zinc/39/32/05/911393205.db2.gz YVVHDJXEASVHCV-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502445840 911431877 /nfs/dbraw/zinc/43/18/77/911431877.db2.gz ZDUIQWWDJKIBBC-UHFFFAOYSA-N -1 0 403.813 4.097 20 30 HIEDRM COc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000502492499 911492670 /nfs/dbraw/zinc/49/26/70/911492670.db2.gz GIRFEIAVAWGNIR-UHFFFAOYSA-N -1 0 414.874 4.160 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c(Cl)c1 ZINC000502777652 911801179 /nfs/dbraw/zinc/80/11/79/911801179.db2.gz NPIFVMOQZQPBGB-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c(Cl)c1 ZINC000502777048 911801863 /nfs/dbraw/zinc/80/18/63/911801863.db2.gz LDOZUIWCWPZZAU-UHFFFAOYSA-N -1 0 417.918 4.075 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2F)s1 ZINC000507270501 916033045 /nfs/dbraw/zinc/03/30/45/916033045.db2.gz QYQSKVTZEJTLLH-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM CN(C)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C(F)(F)F)c1 ZINC000507285561 916054187 /nfs/dbraw/zinc/05/41/87/916054187.db2.gz VSCPWQAIMKSBRW-UHFFFAOYSA-N -1 0 403.813 4.097 20 30 HIEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3csc4ccccc43)n2)c(Cl)c1 ZINC000507938457 916807741 /nfs/dbraw/zinc/80/77/41/916807741.db2.gz WLDFYYRIFSJRQH-UHFFFAOYSA-N -1 0 414.899 4.413 20 30 HIEDRM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(F)cc1)c1cc(F)c(F)cc1F ZINC000507949526 916812074 /nfs/dbraw/zinc/81/20/74/916812074.db2.gz NOPZUMMCDSJRKW-CYBMUJFWSA-N -1 0 401.303 4.215 20 30 HIEDRM O=S(=O)([N-]c1ccc(OCC(F)(F)F)c(F)c1)c1c(F)c(F)cc(F)c1F ZINC000507949946 916812533 /nfs/dbraw/zinc/81/25/33/916812533.db2.gz PIDGYHJEQATPIE-UHFFFAOYSA-N -1 0 421.265 4.124 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2)OCCO3)c1 ZINC000509576531 918226259 /nfs/dbraw/zinc/22/62/59/918226259.db2.gz GPOBEFCRWSRDSA-UHFFFAOYSA-N -1 0 424.503 4.281 20 30 HIEDRM CCCOc1c(Br)cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1OC ZINC000509691888 918323137 /nfs/dbraw/zinc/32/31/37/918323137.db2.gz RKQGUDAOSHEFOI-XQRVVYSFSA-N -1 0 417.259 4.382 20 30 HIEDRM Cc1nc(C(=O)N(C)C)ccc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000511752595 920430429 /nfs/dbraw/zinc/43/04/29/920430429.db2.gz DKTHDDHTZHNXSC-MRXNPFEDSA-N -1 0 424.913 4.359 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c3O[C@H](C)C(=O)N4)n2)cc1 ZINC000511757093 920437037 /nfs/dbraw/zinc/43/70/37/920437037.db2.gz NZAAYOKEVMXZSU-CZUORRHYSA-N -1 0 403.463 4.328 20 30 HIEDRM CC(C)(C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1)c1cc(F)cc(C#N)c1 ZINC000511925105 920672920 /nfs/dbraw/zinc/67/29/20/920672920.db2.gz CMTBZZIUHRRLQQ-UHFFFAOYSA-N -1 0 400.866 4.207 20 30 HIEDRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)cc1 ZINC000513816036 922140287 /nfs/dbraw/zinc/14/02/87/922140287.db2.gz GSWPSVGEHVKMRU-UHFFFAOYSA-N -1 0 422.462 4.246 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)CCCCF)s2)c(C(F)(F)F)c1 ZINC000514785179 922801384 /nfs/dbraw/zinc/80/13/84/922801384.db2.gz DSTMNMUUMJTBEX-UHFFFAOYSA-N -1 0 421.441 4.116 20 30 HIEDRM N#CC(=C([O-])c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1)c1nc2ccccc2o1 ZINC000515597712 923206653 /nfs/dbraw/zinc/20/66/53/923206653.db2.gz ZIRYRKWVIFTHLB-AVRDEDQJSA-N -1 0 423.428 4.260 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc([N+](=O)[O-])ccc3OC)n2)cc1 ZINC000516269971 923637954 /nfs/dbraw/zinc/63/79/54/923637954.db2.gz HPRQPLKXRZGFDZ-INIZCTEOSA-N -1 0 409.423 4.226 20 30 HIEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] ZINC000516713584 923858592 /nfs/dbraw/zinc/85/85/92/923858592.db2.gz WTDPDDRNYXBAGA-OAHLLOKOSA-N -1 0 404.407 4.089 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2-c2ccccc2C#N)n1 ZINC000516793363 923890097 /nfs/dbraw/zinc/89/00/97/923890097.db2.gz OVCOUXZNDYZKFZ-GOSISDBHSA-N -1 0 401.447 4.349 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)nc1C ZINC000517801060 926842185 /nfs/dbraw/zinc/84/21/85/926842185.db2.gz WPVAKHHUPNEIKA-KRWDZBQOSA-N -1 0 421.478 4.189 20 30 HIEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000517800660 926842397 /nfs/dbraw/zinc/84/23/97/926842397.db2.gz AGGNYILNSJCMGP-XDBZFTIUSA-N -1 0 405.504 4.050 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1-c1ccccc1 ZINC000518515502 927319519 /nfs/dbraw/zinc/31/95/19/927319519.db2.gz UJXJXRQKTMEOBT-SFHVURJKSA-N -1 0 410.462 4.061 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(O[C@H](C)c3ccccc3)nc2)n1 ZINC000518662642 927414797 /nfs/dbraw/zinc/41/47/97/927414797.db2.gz MPIJBVOFKJGIJJ-RHSMWYFYSA-N -1 0 421.478 4.345 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)OC)c1 ZINC000518807358 927503605 /nfs/dbraw/zinc/50/36/05/927503605.db2.gz LBHPXZDIBMMJGI-UHFFFAOYSA-N -1 0 403.481 4.054 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc2cccnc21 ZINC000518810001 927506843 /nfs/dbraw/zinc/50/68/43/927506843.db2.gz ORHBRUKDSCCQEI-HNNXBMFYSA-N -1 0 422.370 4.028 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1-n1cccc1 ZINC000518870672 927580690 /nfs/dbraw/zinc/58/06/90/927580690.db2.gz DHIRYWTZPWBMIL-LBPRGKRZSA-N -1 0 409.421 4.103 20 30 HIEDRM COc1ccc(COCc2cccc([N-]S(=O)(=O)c3ccccc3C#N)c2)cc1 ZINC000519120604 927788650 /nfs/dbraw/zinc/78/86/50/927788650.db2.gz LMUBPMMKOSEEHV-UHFFFAOYSA-N -1 0 408.479 4.084 20 30 HIEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000520432330 928561289 /nfs/dbraw/zinc/56/12/89/928561289.db2.gz ZSULWGHFZUNPPA-OAHLLOKOSA-N -1 0 411.433 4.214 20 30 HIEDRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520627455 928684193 /nfs/dbraw/zinc/68/41/93/928684193.db2.gz MCZDPBIPGRSLLX-UHFFFAOYSA-N -1 0 414.464 4.220 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000520700804 928747010 /nfs/dbraw/zinc/74/70/10/928747010.db2.gz SGBHBVHBOUYNRZ-UHFFFAOYSA-N -1 0 424.322 4.319 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000520801083 928824878 /nfs/dbraw/zinc/82/48/78/928824878.db2.gz WPFVAWAPGMYIOJ-UHFFFAOYSA-N -1 0 409.492 4.212 20 30 HIEDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000525018287 929977584 /nfs/dbraw/zinc/97/75/84/929977584.db2.gz ARHIRYGLOBHDBU-GFCCVEGCSA-N -1 0 424.931 4.179 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)nn1)c1nc2ccccc2s1 ZINC000525327679 930164979 /nfs/dbraw/zinc/16/49/79/930164979.db2.gz BXQGRDQMCQDLAR-ZDUSSCGKSA-N -1 0 413.384 4.386 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)s1 ZINC000532845830 931656841 /nfs/dbraw/zinc/65/68/41/931656841.db2.gz QVSATBDYPOWLGF-UHFFFAOYSA-N -1 0 407.464 4.277 20 30 HIEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1NC1CCCCC1 ZINC000534289655 932376251 /nfs/dbraw/zinc/37/62/51/932376251.db2.gz HBXICNTWRXJTAX-UHFFFAOYSA-N -1 0 400.460 4.012 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000534659418 932630430 /nfs/dbraw/zinc/63/04/30/932630430.db2.gz UXXZDDOYGVBNOM-KRWDZBQOSA-N -1 0 419.462 4.062 20 30 HIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cs2)n1C ZINC000535407041 933119999 /nfs/dbraw/zinc/11/99/99/933119999.db2.gz XMXACXXXOGJKQK-CQSZACIVSA-N -1 0 405.508 4.466 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)nn1-c1cccc(F)c1 ZINC000537349069 933730489 /nfs/dbraw/zinc/73/04/89/933730489.db2.gz JHSFVDLDKKEUIT-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)CCc1ccccc1C(=O)[O-] ZINC000538575646 938653342 /nfs/dbraw/zinc/65/33/42/938653342.db2.gz IJZOXBBWUSQKRC-UHFFFAOYSA-N -1 0 420.278 4.434 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)sc1C ZINC000539111514 938804493 /nfs/dbraw/zinc/80/44/93/938804493.db2.gz PWAPBOKSMNEDPF-UHFFFAOYSA-N -1 0 422.582 4.181 20 30 HIEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000539446544 938861863 /nfs/dbraw/zinc/86/18/63/938861863.db2.gz JAJDEIRQCBMWEO-UHFFFAOYSA-N -1 0 403.394 4.312 20 30 HIEDRM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)c2)o1 ZINC000539585271 938883782 /nfs/dbraw/zinc/88/37/82/938883782.db2.gz JTYQQXLLSUGJSO-QGZVFWFLSA-N -1 0 416.462 4.497 20 30 HIEDRM N#CC(=C([O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000541026652 939434469 /nfs/dbraw/zinc/43/44/69/939434469.db2.gz WCZUDOMYYMFLTC-GFCCVEGCSA-N -1 0 416.365 4.205 20 30 HIEDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000541802161 939636925 /nfs/dbraw/zinc/63/69/25/939636925.db2.gz WZUZOQGJRCYMSO-CYBMUJFWSA-N -1 0 405.501 4.407 20 30 HIEDRM N#C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(OCc2ccccc2)cc1 ZINC000542595672 939847379 /nfs/dbraw/zinc/84/73/79/939847379.db2.gz MRTZIZKKRUUGGX-GOSISDBHSA-N -1 0 412.367 4.383 20 30 HIEDRM C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542989526 939892262 /nfs/dbraw/zinc/89/22/62/939892262.db2.gz QRQNPXNPSDEVTK-MRXNPFEDSA-N -1 0 419.506 4.088 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccccc2)n1 ZINC000543058870 939914835 /nfs/dbraw/zinc/91/48/35/939914835.db2.gz ZSDUOXJVEWZPQY-QGZVFWFLSA-N -1 0 404.447 4.041 20 30 HIEDRM C[C@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543962198 940272396 /nfs/dbraw/zinc/27/23/96/940272396.db2.gz VIGGLSSZEPJRBM-HNNXBMFYSA-N -1 0 410.433 4.060 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(O[C@H]4CCOC4)c3)n2)cc1 ZINC000544547852 940476603 /nfs/dbraw/zinc/47/66/03/940476603.db2.gz YORXKGFLMWBBRV-ZWKOTPCHSA-N -1 0 405.479 4.171 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)ncc1Br ZINC000544620023 940491793 /nfs/dbraw/zinc/49/17/93/940491793.db2.gz CDONDLZSLGGRMQ-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM N#CCCN(C(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC000545446734 940570279 /nfs/dbraw/zinc/57/02/79/940570279.db2.gz SFTSXIVKFAKNKS-UHFFFAOYSA-N -1 0 406.269 4.365 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000546086163 940695928 /nfs/dbraw/zinc/69/59/28/940695928.db2.gz VPRUFDOQOLVIBQ-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000549748181 941206288 /nfs/dbraw/zinc/20/62/88/941206288.db2.gz OQQUGISZKGARQT-UHFFFAOYSA-N -1 0 401.850 4.355 20 30 HIEDRM N#C[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000550710386 941357067 /nfs/dbraw/zinc/35/70/67/941357067.db2.gz RMCYGJROFQZALN-OAHLLOKOSA-N -1 0 405.216 4.018 20 30 HIEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3ccc4oc5ccccc5c4c3)o2)c1 ZINC000551951410 941563060 /nfs/dbraw/zinc/56/30/60/941563060.db2.gz PISAMCONOTYSFU-UHFFFAOYSA-N -1 0 416.418 4.308 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)cc1C#N ZINC000552395718 941656296 /nfs/dbraw/zinc/65/62/96/941656296.db2.gz QIJVCZIQHSCGJE-UHFFFAOYSA-N -1 0 421.547 4.252 20 30 HIEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)cc1 ZINC000552581613 941712493 /nfs/dbraw/zinc/71/24/93/941712493.db2.gz AOISEAZWCFIMMR-UHFFFAOYSA-N -1 0 415.384 4.233 20 30 HIEDRM C=CCN(C(=O)Nc1ccc2cnn(C(C)C)c2c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000555851577 942753686 /nfs/dbraw/zinc/75/36/86/942753686.db2.gz HQMIOWIFMZYGSU-NRFANRHFSA-N -1 0 406.486 4.333 20 30 HIEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000556939045 942974847 /nfs/dbraw/zinc/97/48/47/942974847.db2.gz QBROQXCSKYXYNW-UHFFFAOYSA-N -1 0 409.486 4.005 20 30 HIEDRM CCc1oc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1C(=O)OC ZINC000558865415 943707177 /nfs/dbraw/zinc/70/71/77/943707177.db2.gz INWMHDYTLJYQCQ-OAHLLOKOSA-N -1 0 405.435 4.114 20 30 HIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000568888206 946734928 /nfs/dbraw/zinc/73/49/28/946734928.db2.gz DABTUCQWEVCYOV-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM C=CCN(C(=O)Nc1ccc(C)c(OCC(F)F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000570705600 947330535 /nfs/dbraw/zinc/33/05/35/947330535.db2.gz YITRUIBNFSLXDH-SFHVURJKSA-N -1 0 418.440 4.355 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)o1 ZINC000572876251 948026969 /nfs/dbraw/zinc/02/69/69/948026969.db2.gz VYKVYTGFHLRYBA-UHFFFAOYSA-N -1 0 415.176 4.200 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c[nH]nc3-c3ccccn3)n2)cc1 ZINC000573495046 948219671 /nfs/dbraw/zinc/21/96/71/948219671.db2.gz LCKNWIKVJPCUFS-HNNXBMFYSA-N -1 0 401.451 4.094 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nnc(Cc3ccc4ccccc4c3)o2)ccc1Cl ZINC000574392485 948432482 /nfs/dbraw/zinc/43/24/82/948432482.db2.gz JYUBZNOUXHBHDO-UHFFFAOYSA-N -1 0 424.869 4.139 20 30 HIEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000007708992 845394200 /nfs/dbraw/zinc/39/42/00/845394200.db2.gz FQGNNTXLGXZGJM-GOSISDBHSA-N -1 0 414.918 4.147 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2[n-]c1=S ZINC000009657271 845579902 /nfs/dbraw/zinc/57/99/02/845579902.db2.gz JDYYWXPUMSWOGJ-UHFFFAOYSA-N -1 0 421.507 4.016 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000016458239 846174725 /nfs/dbraw/zinc/17/47/25/846174725.db2.gz SKOKWKRHGSUAHT-ZDUSSCGKSA-N -1 0 417.899 4.262 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1C#N ZINC000031889930 847961721 /nfs/dbraw/zinc/96/17/21/847961721.db2.gz HZKKNJKZFFDEGL-UHFFFAOYSA-N -1 0 416.915 4.334 20 30 HIEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000041534211 848227509 /nfs/dbraw/zinc/22/75/09/848227509.db2.gz CNNLZCBFDRQKOX-QGZVFWFLSA-N -1 0 400.463 4.494 20 30 HIEDRM N#CC(=C([O-])c1ccc(-n2cc(Br)cn2)cc1)c1nc2ccccc2o1 ZINC000041539680 848228851 /nfs/dbraw/zinc/22/88/51/848228851.db2.gz DGSIAGGIGQOCIT-HNNXBMFYSA-N -1 0 407.227 4.266 20 30 HIEDRM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3cc(C)nc(C)n3)s2)cc1OC ZINC000041562084 848234129 /nfs/dbraw/zinc/23/41/29/848234129.db2.gz RPEJNKCTEHYDLO-OAHLLOKOSA-N -1 0 408.483 4.033 20 30 HIEDRM C=C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC000436728664 861913159 /nfs/dbraw/zinc/91/31/59/861913159.db2.gz NGDDCXHKNBBGDE-INIZCTEOSA-N -1 0 420.918 4.027 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3c[nH]c(C(=O)N4CCCC4)c3)n2)cc1 ZINC000054461795 849871524 /nfs/dbraw/zinc/87/15/24/849871524.db2.gz LAMFITYGSUMKRR-QGZVFWFLSA-N -1 0 404.495 4.173 20 30 HIEDRM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055565315 850056898 /nfs/dbraw/zinc/05/68/98/850056898.db2.gz HAKPBTNZCHBKGY-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2)o1 ZINC000055582402 850062863 /nfs/dbraw/zinc/06/28/63/850062863.db2.gz FTRZLCCQVUWJNU-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM O=C(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cc(F)c([O-])c(F)c1 ZINC000436962740 862143065 /nfs/dbraw/zinc/14/30/65/862143065.db2.gz AURVNZSFKYFVEQ-UHFFFAOYSA-N -1 0 407.245 4.453 20 30 HIEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000061067440 851287359 /nfs/dbraw/zinc/28/73/59/851287359.db2.gz PRSJXJMABQEBSQ-UHFFFAOYSA-N -1 0 401.406 4.382 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)cc1 ZINC000064317452 851870350 /nfs/dbraw/zinc/87/03/50/851870350.db2.gz JGWYDYLZWAKPQZ-UHFFFAOYSA-N -1 0 420.313 4.245 20 30 HIEDRM C=CCOc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000064509904 851916792 /nfs/dbraw/zinc/91/67/92/851916792.db2.gz REXAEACCTGGSAE-UHFFFAOYSA-N -1 0 408.479 4.305 20 30 HIEDRM O=C(Cc1csc(Cc2ccc(F)cc2)n1)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000065484740 852155699 /nfs/dbraw/zinc/15/56/99/852155699.db2.gz OUJLITCTBAHMPJ-ZHACJKMWSA-N -1 0 416.499 4.373 20 30 HIEDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1(c2ccc(F)cc2)CCOCC1 ZINC000065762935 852247963 /nfs/dbraw/zinc/24/79/63/852247963.db2.gz ZQJQOPZLKJIIAN-UHFFFAOYSA-N -1 0 413.470 4.373 20 30 HIEDRM Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C#N)c2)cc1 ZINC000108239649 852831171 /nfs/dbraw/zinc/83/11/71/852831171.db2.gz HUQDHQWAKCNGPG-UHFFFAOYSA-N -1 0 405.479 4.228 20 30 HIEDRM C=CCn1c(-c2sc(NC(=O)c3cc(Cl)ccc3[O-])nc2C)n[nH]c1=S ZINC000111199486 853220226 /nfs/dbraw/zinc/22/02/26/853220226.db2.gz WNYUYEXAQFLMAC-UHFFFAOYSA-N -1 0 407.908 4.170 20 30 HIEDRM CCn1cc(C(=O)/C=C/c2cc(Br)c([O-])c(Br)c2)cn1 ZINC000195702263 853768504 /nfs/dbraw/zinc/76/85/04/853768504.db2.gz VXNWYEBYUINYHX-ONEGZZNKSA-N -1 0 400.070 4.030 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000303354672 854888858 /nfs/dbraw/zinc/88/88/58/854888858.db2.gz OKESWSPZYNKKMU-LBPRGKRZSA-N -1 0 406.920 4.183 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C(F)(F)F)ccc1C#N ZINC000326846901 855412212 /nfs/dbraw/zinc/41/22/12/855412212.db2.gz QECNJVQLLGWJHN-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1C(F)(F)F ZINC000392123703 855463175 /nfs/dbraw/zinc/46/31/75/855463175.db2.gz WSMRCVUPCSSOLM-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)cc1Br ZINC000410339855 855937604 /nfs/dbraw/zinc/93/76/04/855937604.db2.gz LPDHOQRYAFZPAQ-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cc1[O-] ZINC000426937084 856551132 /nfs/dbraw/zinc/55/11/32/856551132.db2.gz MPTQQPXNYVHWQB-UHFFFAOYSA-N -1 0 404.266 4.476 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427108933 856642739 /nfs/dbraw/zinc/64/27/39/856642739.db2.gz SNSRBFZJNMCGEF-UHFFFAOYSA-N -1 0 421.453 4.143 20 30 HIEDRM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(Br)ccc3C#N)cc2s1 ZINC000427745276 856935281 /nfs/dbraw/zinc/93/52/81/856935281.db2.gz NGCPPOASMLMGHT-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)sc1Cc1cccc(C)c1 ZINC000427765477 856945307 /nfs/dbraw/zinc/94/53/07/856945307.db2.gz WHYWXNSHJWPFBE-UHFFFAOYSA-N -1 0 401.488 4.162 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3ccc(Cl)cc3Cl)nc2)cc1C#N ZINC000427768457 856946676 /nfs/dbraw/zinc/94/66/76/856946676.db2.gz RVTFRQYMCRTCDI-UHFFFAOYSA-N -1 0 419.293 4.431 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)cc1C#N ZINC000428639504 857285524 /nfs/dbraw/zinc/28/55/24/857285524.db2.gz JVGOCWKVFHDRKM-FQEVSTJZSA-N -1 0 401.491 4.465 20 30 HIEDRM Cn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430610412 858235654 /nfs/dbraw/zinc/23/56/54/858235654.db2.gz KSBRQHBAONLWEB-AWEZNQCLSA-N -1 0 409.471 4.239 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1-c1cccc2cccnc21 ZINC000430616463 858236782 /nfs/dbraw/zinc/23/67/82/858236782.db2.gz FNOLTWXFNYBJHL-HNNXBMFYSA-N -1 0 416.510 4.368 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1-c1cccc2ncccc21 ZINC000430634910 858242184 /nfs/dbraw/zinc/24/21/84/858242184.db2.gz TUVBLTYFOQYOHW-OAHLLOKOSA-N -1 0 416.510 4.368 20 30 HIEDRM C=C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000431436281 858614042 /nfs/dbraw/zinc/61/40/42/858614042.db2.gz UGWFPTCODBYKMM-KSSFIOAISA-N -1 0 402.288 4.441 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1Br ZINC000432947590 859442767 /nfs/dbraw/zinc/44/27/67/859442767.db2.gz GKWTZVJTFGSAOA-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000432966836 859453229 /nfs/dbraw/zinc/45/32/29/859453229.db2.gz MUPKZDDCXRWQEZ-AWEZNQCLSA-N -1 0 415.330 4.409 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)sc1Br ZINC000433504010 859740269 /nfs/dbraw/zinc/74/02/69/859740269.db2.gz YGRFBDYSMDYOKP-UHFFFAOYSA-N -1 0 423.260 4.093 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnnn3-c3cccc(F)c3)n2)cc1 ZINC000434624081 860437408 /nfs/dbraw/zinc/43/74/08/860437408.db2.gz OPLPXFYRSUKCBU-KRWDZBQOSA-N -1 0 419.441 4.029 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC[C@H]2CCCCO2)s1 ZINC000435489349 860818673 /nfs/dbraw/zinc/81/86/73/860818673.db2.gz BEXYPGCENRPYNS-CYBMUJFWSA-N -1 0 412.920 4.022 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3)c2)s1 ZINC000435494496 860820539 /nfs/dbraw/zinc/82/05/39/860820539.db2.gz ATMWIBFXNXVXHZ-UHFFFAOYSA-N -1 0 417.899 4.326 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435718975 861002839 /nfs/dbraw/zinc/00/28/39/861002839.db2.gz HMFUPSQOQMZWAX-UHFFFAOYSA-N -1 0 404.250 4.011 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)cc1C#N ZINC000467874384 881734009 /nfs/dbraw/zinc/73/40/09/881734009.db2.gz HAOXHQUIBGOXFI-UHFFFAOYSA-N -1 0 405.882 4.135 20 30 HIEDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)cn1 ZINC000438722383 864205009 /nfs/dbraw/zinc/20/50/09/864205009.db2.gz LZSSPTBHAJDZJL-UHFFFAOYSA-N -1 0 400.435 4.068 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1Cl ZINC000438787516 864279796 /nfs/dbraw/zinc/27/97/96/864279796.db2.gz CGGWCYGUAYVJFQ-UHFFFAOYSA-N -1 0 406.634 4.227 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccccc2Cl)cnn1-c1cccc(C#N)c1 ZINC000438814349 864306030 /nfs/dbraw/zinc/30/60/30/864306030.db2.gz OSKWKBUQIIIUSG-UHFFFAOYSA-N -1 0 400.891 4.151 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cnn1-c1cccc(C#N)c1 ZINC000438841524 864335558 /nfs/dbraw/zinc/33/55/58/864335558.db2.gz ZEJRLWQIIBKXNW-UHFFFAOYSA-N -1 0 424.526 4.123 20 30 HIEDRM N#CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000438943980 864418182 /nfs/dbraw/zinc/41/81/82/864418182.db2.gz AKOCGXPZKUSOBM-CQSZACIVSA-N -1 0 414.270 4.225 20 30 HIEDRM CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000438997083 864453897 /nfs/dbraw/zinc/45/38/97/864453897.db2.gz QKMJSSTYSCYRRC-VIFPVBQESA-N -1 0 401.681 4.160 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cccc(C(F)(F)F)c3)cn2)c1 ZINC000439002393 864457302 /nfs/dbraw/zinc/45/73/02/864457302.db2.gz DQGVMSUVXZGVTO-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM COCCn1ccc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000439651115 864977927 /nfs/dbraw/zinc/97/79/27/864977927.db2.gz VECLUYYNYQQDFF-ZDUSSCGKSA-N -1 0 421.309 4.450 20 30 HIEDRM COc1ccc(COCc2cccc([N-]S(=O)(=O)c3cccc(C)c3C#N)c2)cc1 ZINC000440810519 865927755 /nfs/dbraw/zinc/92/77/55/865927755.db2.gz RKOYDPOMCFFOEL-UHFFFAOYSA-N -1 0 422.506 4.393 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)c1C#N ZINC000440821522 865937068 /nfs/dbraw/zinc/93/70/68/865937068.db2.gz NMSPODWCAHAYHB-UHFFFAOYSA-N -1 0 402.541 4.080 20 30 HIEDRM C=CCC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000441745575 866832517 /nfs/dbraw/zinc/83/25/17/866832517.db2.gz UQCBTTAMOCXNPU-QGZVFWFLSA-N -1 0 417.387 4.486 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)c(F)c2C)n1 ZINC000443523003 868082333 /nfs/dbraw/zinc/08/23/33/868082333.db2.gz QWKMMJCWEHIKKL-JTQLQIEISA-N -1 0 400.353 4.276 20 30 HIEDRM Cn1cc(-c2nn(C)cc2C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000444455966 868835176 /nfs/dbraw/zinc/83/51/76/868835176.db2.gz BJLTXCKSPLUQFL-OAHLLOKOSA-N -1 0 422.901 4.088 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)cc1Cl ZINC000447259033 871138285 /nfs/dbraw/zinc/13/82/85/871138285.db2.gz GOBGHYPJHSGZNX-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)c(Cl)c1 ZINC000447268113 871152230 /nfs/dbraw/zinc/15/22/30/871152230.db2.gz SUPHNYKVGYIUNL-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1sccc1C#N ZINC000447632470 871542218 /nfs/dbraw/zinc/54/22/18/871542218.db2.gz KFEJWGNSNBOGGK-UHFFFAOYSA-N -1 0 415.471 4.120 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000447636224 871550934 /nfs/dbraw/zinc/55/09/34/871550934.db2.gz JMPKYZQUQYSEJL-UHFFFAOYSA-N -1 0 423.469 4.253 20 30 HIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447783742 871714018 /nfs/dbraw/zinc/71/40/18/871714018.db2.gz UMHXVWRYDOJOHQ-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM Cc1ccc(Sc2nc(=NC(=O)c3cc(-c4cccc(C#N)c4)no3)s[n-]2)cc1 ZINC000448316180 872252272 /nfs/dbraw/zinc/25/22/72/872252272.db2.gz PYTRBJMWDMRCBG-UHFFFAOYSA-N -1 0 419.491 4.199 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460829420 873717093 /nfs/dbraw/zinc/71/70/93/873717093.db2.gz LZGICBXYNXATSB-AWEZNQCLSA-N -1 0 416.503 4.206 20 30 HIEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc2=O)cc1 ZINC000461886481 875036407 /nfs/dbraw/zinc/03/64/07/875036407.db2.gz VANYBQVMXONVJM-UHFFFAOYSA-N -1 0 424.460 4.177 20 30 HIEDRM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000468914260 882974139 /nfs/dbraw/zinc/97/41/39/882974139.db2.gz KCEGAEDBQILEIJ-LLVKDONJSA-N -1 0 415.298 4.080 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000463520929 876587574 /nfs/dbraw/zinc/58/75/74/876587574.db2.gz YOWOUMJRJIKPSN-UHFFFAOYSA-N -1 0 424.322 4.405 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(Cc3ccccc3)oc2c1 ZINC000463781608 876901711 /nfs/dbraw/zinc/90/17/11/876901711.db2.gz INZQKRDFFUAJPX-UHFFFAOYSA-N -1 0 419.462 4.100 20 30 HIEDRM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000464183561 877355220 /nfs/dbraw/zinc/35/52/20/877355220.db2.gz BTBJSSIJZMJTEY-CYBMUJFWSA-N -1 0 415.268 4.335 20 30 HIEDRM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000464191189 877362292 /nfs/dbraw/zinc/36/22/92/877362292.db2.gz ZKUFRBFFPBPITD-CYBMUJFWSA-N -1 0 407.289 4.306 20 30 HIEDRM N#CC(=C([O-])c1cnc(-c2ccc3c(c2)OCO3)s1)c1cc(C(F)(F)F)ccn1 ZINC000464473485 877694717 /nfs/dbraw/zinc/69/47/17/877694717.db2.gz RYBDQBWHSVFMNO-LBPRGKRZSA-N -1 0 417.368 4.443 20 30 HIEDRM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000503402803 912381825 /nfs/dbraw/zinc/38/18/25/912381825.db2.gz USCNDLFPXMDCPJ-IBGZPJMESA-N -1 0 414.490 4.310 20 30 HIEDRM CCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000503555241 912624934 /nfs/dbraw/zinc/62/49/34/912624934.db2.gz GPHOGUJIFHYJLQ-HNNXBMFYSA-N -1 0 400.360 4.175 20 30 HIEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000467403493 881187188 /nfs/dbraw/zinc/18/71/88/881187188.db2.gz KLRSTULBTTYFNQ-UHFFFAOYSA-N -1 0 424.322 4.405 20 30 HIEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)cc2=O)cc1 ZINC000469150417 883246634 /nfs/dbraw/zinc/24/66/34/883246634.db2.gz XEMPQCJDJKEXOX-UHFFFAOYSA-N -1 0 410.433 4.390 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cn(Cc4cccc(F)c4)nn3)n2)cc1 ZINC000469549692 883810520 /nfs/dbraw/zinc/81/05/20/883810520.db2.gz NPJWFMFXHGAITA-SFHVURJKSA-N -1 0 417.469 4.388 20 30 HIEDRM C=CCCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000469879001 884069563 /nfs/dbraw/zinc/06/95/63/884069563.db2.gz DVHHBXCRRMHNRZ-UHFFFAOYSA-N -1 0 412.433 4.154 20 30 HIEDRM C=CCCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000469892287 884084138 /nfs/dbraw/zinc/08/41/38/884084138.db2.gz JDOQWVCFJPFTJI-UHFFFAOYSA-N -1 0 413.326 4.442 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC(C)(C)c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000470323917 884704543 /nfs/dbraw/zinc/70/45/43/884704543.db2.gz USXQNXXXMNDDFR-UHFFFAOYSA-N -1 0 409.433 4.107 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c(C(F)(F)F)c1 ZINC000470458049 884852703 /nfs/dbraw/zinc/85/27/03/884852703.db2.gz BAVWQHJIQOUMSQ-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM COc1ccsc1S(=O)(=O)[N-]c1ccccc1COc1ccc(CC#N)cc1 ZINC000471112399 885648750 /nfs/dbraw/zinc/64/87/50/885648750.db2.gz KVEMDESYXIYBGB-UHFFFAOYSA-N -1 0 414.508 4.203 20 30 HIEDRM C[C@H](Oc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000471114563 885650554 /nfs/dbraw/zinc/65/05/54/885650554.db2.gz VRPMNILFSWABHZ-HNNXBMFYSA-N -1 0 423.450 4.407 20 30 HIEDRM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cc2s1 ZINC000471121489 885657113 /nfs/dbraw/zinc/65/71/13/885657113.db2.gz QZAGAQWXEARXKE-UHFFFAOYSA-N -1 0 416.484 4.174 20 30 HIEDRM COc1ccc(-c2csc(CNC(=O)c3cc(C#N)c(SC)[n-]c3=O)c2)cc1 ZINC000473785641 888593854 /nfs/dbraw/zinc/59/38/54/888593854.db2.gz JXLZQAQFPZZGAS-UHFFFAOYSA-N -1 0 411.508 4.048 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1ccc2ncccc2c1 ZINC000474424909 889288520 /nfs/dbraw/zinc/28/85/20/889288520.db2.gz GOIRPNIJNGAWMY-INIZCTEOSA-N -1 0 402.483 4.194 20 30 HIEDRM C=CCC1(C(=O)Nc2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)CCC1 ZINC000478210507 893370536 /nfs/dbraw/zinc/37/05/36/893370536.db2.gz QBXSRCRCNUBOQT-UHFFFAOYSA-N -1 0 418.490 4.320 20 30 HIEDRM Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2SCCC#N)cc1C(=O)[O-] ZINC000479240149 894502214 /nfs/dbraw/zinc/50/22/14/894502214.db2.gz GLEUFJUIYIIPIK-UHFFFAOYSA-N -1 0 410.904 4.153 20 30 HIEDRM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479493344 894813289 /nfs/dbraw/zinc/81/32/89/894813289.db2.gz WPWFBHMJFPHZMW-RUZDIDTESA-N -1 0 410.948 4.060 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c1 ZINC000479510321 894824308 /nfs/dbraw/zinc/82/43/08/894824308.db2.gz GHAGQRHEBCYYEK-UHFFFAOYSA-N -1 0 410.842 4.071 20 30 HIEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)cn2)C[C@@H](C)O1 ZINC000505426646 914089733 /nfs/dbraw/zinc/08/97/33/914089733.db2.gz BOTDKWCSCVZJFM-MDZRGWNJSA-N -1 0 418.522 4.309 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccc4ncccc4c3)on2)ccc1Cl ZINC000481856101 897222122 /nfs/dbraw/zinc/22/21/22/897222122.db2.gz NGFZGOLRYNCEGF-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM COc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)nc2)cc1Cl ZINC000481859050 897225961 /nfs/dbraw/zinc/22/59/61/897225961.db2.gz NVNVYEQTWQOLLL-UHFFFAOYSA-N -1 0 413.886 4.392 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)cc1C#N ZINC000481870234 897240545 /nfs/dbraw/zinc/24/05/45/897240545.db2.gz SMGRFGGEMMHWQA-UHFFFAOYSA-N -1 0 407.499 4.251 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cccc(Br)c3)cn2)c1 ZINC000481874104 897245637 /nfs/dbraw/zinc/24/56/37/897245637.db2.gz XRYSGMWPGZLIDP-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM N#CC(=C([O-])c1cc(N2CCCC2=O)cc(C(F)(F)F)c1)c1nc2ccccc2o1 ZINC000481879272 897250659 /nfs/dbraw/zinc/25/06/59/897250659.db2.gz NSACCBRZIJVNLM-OAHLLOKOSA-N -1 0 413.355 4.463 20 30 HIEDRM Cc1cc2sc([N-]S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)nc2cc1F ZINC000481885349 897258711 /nfs/dbraw/zinc/25/87/11/897258711.db2.gz HCFBQJHCNPNKIO-UHFFFAOYSA-N -1 0 415.393 4.435 20 30 HIEDRM N#CC(=C([O-])c1occc1CN1C(=O)Cc2ccccc21)c1nccc2ccccc21 ZINC000483191074 898848963 /nfs/dbraw/zinc/84/89/63/898848963.db2.gz AJAWAQCZYUWZLK-FQEVSTJZSA-N -1 0 407.429 4.407 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2cnn(Cc3cccs3)c2n1 ZINC000483197431 898853531 /nfs/dbraw/zinc/85/35/31/898853531.db2.gz MEQJOKCKPCPEEI-QGZVFWFLSA-N -1 0 424.489 4.283 20 30 HIEDRM CN(C(=O)c1cccs1)c1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483215376 898863131 /nfs/dbraw/zinc/86/31/31/898863131.db2.gz HRWHPZWJCKBPAF-MRXNPFEDSA-N -1 0 412.474 4.458 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(-c3ccc(F)c(F)c3)s2)n1 ZINC000505722323 914404007 /nfs/dbraw/zinc/40/40/07/914404007.db2.gz DIUVAFRRSKFUGV-JTQLQIEISA-N -1 0 419.434 4.212 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)ccc1Cl ZINC000485396994 900694615 /nfs/dbraw/zinc/69/46/15/900694615.db2.gz PRFATMKQZNQSOA-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)sc1SCC#N ZINC000485432076 900727745 /nfs/dbraw/zinc/72/77/45/900727745.db2.gz BHQYRHWZBYXBRP-UHFFFAOYSA-N -1 0 407.464 4.028 20 30 HIEDRM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000487017046 902016137 /nfs/dbraw/zinc/01/61/37/902016137.db2.gz UJAZOCDUQBDQLK-LLVKDONJSA-N -1 0 414.181 4.065 20 30 HIEDRM COCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000490718960 904190721 /nfs/dbraw/zinc/19/07/21/904190721.db2.gz CZEIROLJWVMSQV-AWEZNQCLSA-N -1 0 413.480 4.433 20 30 HIEDRM COCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000490718963 904190843 /nfs/dbraw/zinc/19/08/43/904190843.db2.gz CZEIROLJWVMSQV-CQSZACIVSA-N -1 0 413.480 4.433 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2oc(C(F)(F)F)nc21 ZINC000494503037 905795528 /nfs/dbraw/zinc/79/55/28/905795528.db2.gz GCNUIBFNOHMQBK-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nc1C ZINC000512488742 921195466 /nfs/dbraw/zinc/19/54/66/921195466.db2.gz KTVGWGUQWXYTSJ-KRWDZBQOSA-N -1 0 416.462 4.052 20 30 HIEDRM N#C[C@H](C(=O)c1ccn(-c2ccc(Br)cc2)n1)c1nc2ccccc2[nH]1 ZINC000495236840 906327337 /nfs/dbraw/zinc/32/73/37/906327337.db2.gz LHBJGVBWVXVZAY-CQSZACIVSA-N -1 0 406.243 4.001 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1C#N ZINC000497873195 907350014 /nfs/dbraw/zinc/35/00/14/907350014.db2.gz KGIAOPAWUGVTIR-UHFFFAOYSA-N -1 0 416.915 4.334 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2Cl)cc1 ZINC000498008149 907498223 /nfs/dbraw/zinc/49/82/23/907498223.db2.gz RNPABQOPPMZIOL-UHFFFAOYSA-N -1 0 404.919 4.263 20 30 HIEDRM CCCN(Cc1ccccc1Br)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000499074127 908438902 /nfs/dbraw/zinc/43/89/02/908438902.db2.gz VPPLZYYOWXWNFJ-UHFFFAOYSA-N -1 0 420.332 4.196 20 30 HIEDRM Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000499493962 908816383 /nfs/dbraw/zinc/81/63/83/908816383.db2.gz JYLMWWUBXPWHMZ-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c(Cl)c1 ZINC000502776268 911799799 /nfs/dbraw/zinc/79/97/99/911799799.db2.gz YVPNBRWVPKGNMX-UHFFFAOYSA-N -1 0 410.842 4.071 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(COc2ccc(F)cc2)c1 ZINC000507644554 916402475 /nfs/dbraw/zinc/40/24/75/916402475.db2.gz MOJSBESBGKDYTI-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM CC1(C#N)CCN(C(=O)c2nn(-c3cc(Cl)c(Cl)cc3Cl)cc2[O-])CC1 ZINC000507826455 916625899 /nfs/dbraw/zinc/62/58/99/916625899.db2.gz PLYLDOQCRCNFEF-UHFFFAOYSA-N -1 0 413.692 4.304 20 30 HIEDRM O=S(=O)([N-][C@H](CC(F)(F)F)c1ccc(F)cc1)c1c(F)cc(F)cc1F ZINC000507918789 916798180 /nfs/dbraw/zinc/79/81/80/916798180.db2.gz HHZHQNJCRNMSFM-CYBMUJFWSA-N -1 0 401.303 4.215 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)nc2ccccc12 ZINC000508112993 916929825 /nfs/dbraw/zinc/92/98/25/916929825.db2.gz PGUKFVOUQTZNDC-UHFFFAOYSA-N -1 0 409.801 4.162 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1Br ZINC000508136012 916955628 /nfs/dbraw/zinc/95/56/28/916955628.db2.gz YOOZGJRELPBXHK-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)c1Cl ZINC000508208225 917026998 /nfs/dbraw/zinc/02/69/98/917026998.db2.gz UQTYLAWPRGWBPG-UHFFFAOYSA-N -1 0 409.254 4.024 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000509376577 918042668 /nfs/dbraw/zinc/04/26/68/918042668.db2.gz BMTTUEYXFOHGFH-UHFFFAOYSA-N -1 0 402.291 4.368 20 30 HIEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1nc(-c2c(F)cccc2F)cs1 ZINC000509893106 918494553 /nfs/dbraw/zinc/49/45/53/918494553.db2.gz ISTDBHLGWJFJDV-ZDUSSCGKSA-N -1 0 407.405 4.159 20 30 HIEDRM Cn1nnc2cc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)ccc21 ZINC000511721892 920388272 /nfs/dbraw/zinc/38/82/72/920388272.db2.gz IZHKIRGYJPWKEG-XYUGOERHSA-N -1 0 417.538 4.383 20 30 HIEDRM COc1ccc(-n2nnc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)c2C)cc1 ZINC000515542505 923166242 /nfs/dbraw/zinc/16/62/42/923166242.db2.gz XXFWPUOHYYJSCY-SFHVURJKSA-N -1 0 415.478 4.198 20 30 HIEDRM N#CC(=C([O-])c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc2ccccc2o1 ZINC000515597228 923206541 /nfs/dbraw/zinc/20/65/41/923206541.db2.gz BQWLUIOECDYAHY-LJQANCHMSA-N -1 0 421.412 4.114 20 30 HIEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)nn2)cc1 ZINC000516714142 923858614 /nfs/dbraw/zinc/85/86/14/923858614.db2.gz QUEVEYOVUGDWSB-GOSISDBHSA-N -1 0 410.462 4.061 20 30 HIEDRM COCCOc1ccccc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000517800686 926842106 /nfs/dbraw/zinc/84/21/06/926842106.db2.gz BCTKRJPAVLJALB-GOSISDBHSA-N -1 0 408.479 4.334 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)nc1C ZINC000517801061 926842446 /nfs/dbraw/zinc/84/24/46/926842446.db2.gz WPVAKHHUPNEIKA-QGZVFWFLSA-N -1 0 421.478 4.189 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)nnn1-c1cccc(Cl)c1 ZINC000518323062 927188299 /nfs/dbraw/zinc/18/82/99/927188299.db2.gz HGMQQXODQQSNKD-MRXNPFEDSA-N -1 0 418.888 4.250 20 30 HIEDRM COc1ccccc1Oc1ccc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000518456008 927287137 /nfs/dbraw/zinc/28/71/37/927287137.db2.gz VFPFGYGQVQRFLE-UHFFFAOYSA-N -1 0 421.478 4.112 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(-c3ccc(C)cc3)c2C(C)C)n1 ZINC000518661766 927412801 /nfs/dbraw/zinc/41/28/01/927412801.db2.gz VOXJQJGJGICBBO-INIZCTEOSA-N -1 0 422.510 4.427 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000524964814 929929110 /nfs/dbraw/zinc/92/91/10/929929110.db2.gz ZWBDOMXTXWOGDL-UHFFFAOYSA-N -1 0 411.464 4.418 20 30 HIEDRM Cn1ccnc1Sc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000525325331 930162430 /nfs/dbraw/zinc/16/24/30/930162430.db2.gz ISYDTUOTKNYFIM-UHFFFAOYSA-N -1 0 422.894 4.036 20 30 HIEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)n(Cc2ccccc2)n1 ZINC000525326936 930163509 /nfs/dbraw/zinc/16/35/09/930163509.db2.gz QXQKBFBVNIMRPX-UHFFFAOYSA-N -1 0 412.490 4.040 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)sc1Cc1ccccc1F ZINC000525435171 930238335 /nfs/dbraw/zinc/23/83/35/930238335.db2.gz OVQGDKCOUJHGNK-UHFFFAOYSA-N -1 0 401.488 4.162 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000525481475 930270096 /nfs/dbraw/zinc/27/00/96/930270096.db2.gz WCEGSZNYLXUVPS-UHFFFAOYSA-N -1 0 415.377 4.212 20 30 HIEDRM N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nc(=O)o[n-]4)cc3)cc2)cc1 ZINC000526956290 930557611 /nfs/dbraw/zinc/55/76/11/930557611.db2.gz KQYSOUXFWYPMNZ-UHFFFAOYSA-N -1 0 412.405 4.141 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000531040642 930894497 /nfs/dbraw/zinc/89/44/97/930894497.db2.gz TYXYZLLOHOSOCB-UHFFFAOYSA-N -1 0 401.875 4.372 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(F)(F)F)c(F)c1 ZINC000532327368 931397649 /nfs/dbraw/zinc/39/76/49/931397649.db2.gz OBVDRTUVDPPFJR-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM Cn1c(=O)oc2c1cccc2C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000533866848 932070302 /nfs/dbraw/zinc/07/03/02/932070302.db2.gz GNMCTNLUFYAIMU-CQSZACIVSA-N -1 0 409.854 4.398 20 30 HIEDRM CC[C@H](NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)c1ccc(Cl)cc1 ZINC000534633136 932610665 /nfs/dbraw/zinc/61/06/65/932610665.db2.gz DBPRYSNUWLSMKR-KRWDZBQOSA-N -1 0 402.926 4.263 20 30 HIEDRM Cn1c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)cc2nc1C(C)(C)C ZINC000534793613 932773767 /nfs/dbraw/zinc/77/37/67/932773767.db2.gz LYTOGLXHVWHJGC-UHFFFAOYSA-N -1 0 402.907 4.197 20 30 HIEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1C1CC1 ZINC000534974066 932870621 /nfs/dbraw/zinc/87/06/21/932870621.db2.gz KIDLMVGXSXRVRZ-NSHDSACASA-N -1 0 412.437 4.423 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2F)noc1-c1ccc(Cl)s1 ZINC000535235305 933032115 /nfs/dbraw/zinc/03/21/15/933032115.db2.gz YASVWHWJQYSDLE-UHFFFAOYSA-N -1 0 411.867 4.430 20 30 HIEDRM CC(C)(C)c1[n-]n(CC(=O)N[C@H](c2ccccc2)C2CCCC2)c(=O)c1CCC#N ZINC000535360548 933091709 /nfs/dbraw/zinc/09/17/09/933091709.db2.gz VJBHXGAFGCSRRA-OAQYLSRUSA-N -1 0 408.546 4.390 20 30 HIEDRM C=CCOc1c(Br)cc(/C=C/c2cc(C(=O)[O-])ncn2)cc1OCC ZINC000535593511 933259972 /nfs/dbraw/zinc/25/99/72/933259972.db2.gz GSZMKZDTUIEJTJ-AATRIKPKSA-N -1 0 405.248 4.071 20 30 HIEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1C1CC1 ZINC000535684751 933341082 /nfs/dbraw/zinc/34/10/82/933341082.db2.gz BPUMNAXXASADCA-NSHDSACASA-N -1 0 412.437 4.423 20 30 HIEDRM C=C[C@@H](CC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000761806889 939068829 /nfs/dbraw/zinc/06/88/29/939068829.db2.gz CHQSUKJKUKXNMU-VBKZILBWSA-N -1 0 402.288 4.225 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000541304904 939490345 /nfs/dbraw/zinc/49/03/45/939490345.db2.gz DBJLVHNVAYOSJU-UHFFFAOYSA-N -1 0 415.446 4.081 20 30 HIEDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000543167099 939983929 /nfs/dbraw/zinc/98/39/29/939983929.db2.gz ZEVBRIBVTDMZSF-UHFFFAOYSA-N -1 0 412.437 4.388 20 30 HIEDRM COCCn1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1 ZINC000543879087 940222418 /nfs/dbraw/zinc/22/24/18/940222418.db2.gz LKKGEAXXKFJEJF-HNNXBMFYSA-N -1 0 400.891 4.105 20 30 HIEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000545831976 940620420 /nfs/dbraw/zinc/62/04/20/940620420.db2.gz IOGHFRHFHSDBEF-UHFFFAOYSA-N -1 0 424.478 4.177 20 30 HIEDRM C=C(C)[C@H](Cc1nc(-c2c[n-]c3c(C)cc(Br)cc3c2=O)no1)OCC ZINC000547191321 941026393 /nfs/dbraw/zinc/02/63/93/941026393.db2.gz ZTUJJFVAMBYVRM-HNNXBMFYSA-N -1 0 418.291 4.173 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3coc(C4CCOCC4)n3)n2)cc1 ZINC000549412371 941187349 /nfs/dbraw/zinc/18/73/49/941187349.db2.gz UPPCRWSXMHDFDL-INIZCTEOSA-N -1 0 409.467 4.191 20 30 HIEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)c1 ZINC000551388103 941466778 /nfs/dbraw/zinc/46/67/78/941466778.db2.gz VKXVSHZEGLGZAC-UHFFFAOYSA-N -1 0 401.966 4.474 20 30 HIEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000555075316 942378162 /nfs/dbraw/zinc/37/81/62/942378162.db2.gz VVHOMWLDILMDFI-INIZCTEOSA-N -1 0 404.451 4.054 20 30 HIEDRM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000555135491 942399068 /nfs/dbraw/zinc/39/90/68/942399068.db2.gz ULDPTGDNSILWIU-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM N#CCCn1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000558593418 943612042 /nfs/dbraw/zinc/61/20/42/943612042.db2.gz WWCGFEFLRBUDNN-UHFFFAOYSA-N -1 0 402.863 4.043 20 30 HIEDRM N#CC(=C([O-])c1nccnc1-c1nc2ccccc2s1)c1cnc2ccccc2n1 ZINC000562317900 945058874 /nfs/dbraw/zinc/05/88/74/945058874.db2.gz ZMHZHKGLXUYCRR-CYBMUJFWSA-N -1 0 408.446 4.187 20 30 HIEDRM CCSc1cccc(Br)c1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000566355647 946008147 /nfs/dbraw/zinc/00/81/47/946008147.db2.gz IOCURLLRLSRQQD-UHFFFAOYSA-N -1 0 403.348 4.295 20 30 HIEDRM C=CCOc1ccccc1CNC(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000574628194 948494609 /nfs/dbraw/zinc/49/46/09/948494609.db2.gz GFIKXEWRWRANNT-UHFFFAOYSA-N -1 0 422.403 4.067 20 30 HIEDRM N#Cc1cccc(CN(CC(=O)[O-])C(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000725240846 559067658 /nfs/dbraw/zinc/06/76/58/559067658.db2.gz IIHCBQBPAURWNN-UHFFFAOYSA-N -1 0 412.445 4.394 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436006744 861296764 /nfs/dbraw/zinc/29/67/64/861296764.db2.gz LAYNMZVHSYNJIL-UHFFFAOYSA-N -1 0 402.369 4.328 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCc2ccc(-c3ccccc3F)o2)n1 ZINC000016320584 846152887 /nfs/dbraw/zinc/15/28/87/846152887.db2.gz KEIZCDHUJSWHBW-INIZCTEOSA-N -1 0 412.442 4.203 20 30 HIEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCc1cccc(C#N)c1 ZINC000026245313 847110928 /nfs/dbraw/zinc/11/09/28/847110928.db2.gz UOAYWESAKLKQFB-UHFFFAOYSA-N -1 0 424.453 4.164 20 30 HIEDRM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3cccc(C)c3C#N)cc2F)n1 ZINC000436476923 861818768 /nfs/dbraw/zinc/81/87/68/861818768.db2.gz KCJCCPXVWDRAEU-UHFFFAOYSA-N -1 0 403.460 4.364 20 30 HIEDRM CCOc1cc(-c2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)cc(Cl)c1[O-] ZINC000436520536 861833135 /nfs/dbraw/zinc/83/31/35/861833135.db2.gz HFRYPSNIPYXMQB-UHFFFAOYSA-N -1 0 410.739 4.447 20 30 HIEDRM N#C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CCN1Cc1ccccc1 ZINC000436538959 861842400 /nfs/dbraw/zinc/84/24/00/861842400.db2.gz MHSZCSBIXVKQAE-QGZVFWFLSA-N -1 0 405.885 4.049 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1C#N ZINC000031907293 847963822 /nfs/dbraw/zinc/96/38/22/847963822.db2.gz LVHDUVPCJHRMSH-LBPRGKRZSA-N -1 0 410.524 4.010 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1OCc1cscn1 ZINC000041540143 848228709 /nfs/dbraw/zinc/22/87/09/848228709.db2.gz RTSXYHDNIIOJNP-OAHLLOKOSA-N -1 0 405.435 4.362 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1 ZINC000041552544 848230454 /nfs/dbraw/zinc/23/04/54/848230454.db2.gz NPUJXSDWSVFOHU-HNNXBMFYSA-N -1 0 402.351 4.478 20 30 HIEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000041558167 848232760 /nfs/dbraw/zinc/23/27/60/848232760.db2.gz SFEUYKUXJJWMLM-CQSZACIVSA-N -1 0 407.380 4.116 20 30 HIEDRM Cc1cc(C(C#N)=C([O-])c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)nc(C)n1 ZINC000041561013 848233506 /nfs/dbraw/zinc/23/35/06/848233506.db2.gz BNYQYLFHSJNPMJ-MRXNPFEDSA-N -1 0 418.457 4.032 20 30 HIEDRM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000048829804 849272525 /nfs/dbraw/zinc/27/25/25/849272525.db2.gz URVJPGDJJATSLB-HNNXBMFYSA-N -1 0 407.355 4.300 20 30 HIEDRM N#CC(=C([O-])c1cc2cc(Cl)ccc2o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394662 849308757 /nfs/dbraw/zinc/30/87/57/849308757.db2.gz IRSHAYXRKWJXQU-AWEZNQCLSA-N -1 0 404.817 4.087 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc2ccccc2o1 ZINC000054736277 849916523 /nfs/dbraw/zinc/91/65/23/849916523.db2.gz COZGGOOTGJZIRN-OAHLLOKOSA-N -1 0 411.396 4.433 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)Cc2csc(Cc3ccc(F)cc3)n2)c1 ZINC000065484692 852156018 /nfs/dbraw/zinc/15/60/18/852156018.db2.gz PLIGPBTURXERCI-UHFFFAOYSA-N -1 0 404.488 4.069 20 30 HIEDRM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1 ZINC000065485170 852156142 /nfs/dbraw/zinc/15/61/42/852156142.db2.gz IBQXJARSRKWREY-AWEZNQCLSA-N -1 0 400.360 4.093 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3cccc(OCCCC)c3)cc2[n-]c1=S ZINC000071961693 852448300 /nfs/dbraw/zinc/44/83/00/852448300.db2.gz GEQKQDMMZCCHCA-UHFFFAOYSA-N -1 0 423.538 4.354 20 30 HIEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2Br)cc1 ZINC000097465354 852613917 /nfs/dbraw/zinc/61/39/17/852613917.db2.gz DZCWTGRFGBYYRU-UHFFFAOYSA-N -1 0 418.696 4.195 20 30 HIEDRM C[C@H](Sc1ccccc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000237552766 854053517 /nfs/dbraw/zinc/05/35/17/854053517.db2.gz ULVNYVVGURASKQ-ZDUSSCGKSA-N -1 0 407.413 4.052 20 30 HIEDRM COc1ccc(-n2c([N-]S(=O)(=O)c3cc(C#N)ccc3C)nc3ccccc32)cc1 ZINC000437301991 862557820 /nfs/dbraw/zinc/55/78/20/862557820.db2.gz BOCAJWREKVZLHO-UHFFFAOYSA-N -1 0 418.478 4.015 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cnccc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000437311435 862573057 /nfs/dbraw/zinc/57/30/57/862573057.db2.gz ZQVLIPBNOFDCKR-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM CCc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c3c2CCC3)cc1 ZINC000303273267 854845433 /nfs/dbraw/zinc/84/54/33/854845433.db2.gz IAVPSUPPGRUOLS-LJQANCHMSA-N -1 0 409.493 4.300 20 30 HIEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000437371937 862671780 /nfs/dbraw/zinc/67/17/80/862671780.db2.gz KKTMIERWNUZVBC-SNVBAGLBSA-N -1 0 406.250 4.299 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)ccc1Cl ZINC000409536717 855530450 /nfs/dbraw/zinc/53/04/50/855530450.db2.gz QYXIGWZBDSPOPT-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n(-c2ccccc2F)n1 ZINC000410338478 855937610 /nfs/dbraw/zinc/93/76/10/855937610.db2.gz DVIKXWAHKKHPBQ-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C#N ZINC000427124216 856653626 /nfs/dbraw/zinc/65/36/26/856653626.db2.gz PFVGUGFAOBOKRQ-HXUWFJFHSA-N -1 0 422.897 4.371 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1F ZINC000427346085 856785278 /nfs/dbraw/zinc/78/52/78/856785278.db2.gz HTUUYRXFBPIIMV-OAHLLOKOSA-N -1 0 424.881 4.099 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1Cc1ccc(F)cc1 ZINC000430592799 858230145 /nfs/dbraw/zinc/23/01/45/858230145.db2.gz HXPMAGAUDUIGOR-HNNXBMFYSA-N -1 0 411.506 4.272 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1-c1cccc2cnccc21 ZINC000430607517 858234666 /nfs/dbraw/zinc/23/46/66/858234666.db2.gz YWYRTJLHYSYVCY-MRXNPFEDSA-N -1 0 416.510 4.368 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)ccc1Cl ZINC000431322290 858564380 /nfs/dbraw/zinc/56/43/80/858564380.db2.gz IFOAZTCRXBFHAP-UHFFFAOYSA-N -1 0 422.944 4.156 20 30 HIEDRM Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)s2)c(C)c1 ZINC000431322464 858564463 /nfs/dbraw/zinc/56/44/63/858564463.db2.gz XDBDDWUYJWAGJB-UHFFFAOYSA-N -1 0 404.904 4.148 20 30 HIEDRM C=C[C@@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1)c1ccccc1 ZINC000431509952 858649899 /nfs/dbraw/zinc/64/98/99/858649899.db2.gz QSMBBCBQRJYXAL-UWJYYQICSA-N -1 0 406.482 4.064 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cnc([C@H]4CCCO4)s3)c2)c1 ZINC000431679588 858734969 /nfs/dbraw/zinc/73/49/69/858734969.db2.gz RFLRRJAABNVKNS-LJQANCHMSA-N -1 0 418.474 4.345 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1CC1CCCC1 ZINC000434622754 860436316 /nfs/dbraw/zinc/43/63/16/860436316.db2.gz AAQAPWKJOWPCEN-GOSISDBHSA-N -1 0 416.510 4.262 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000438798484 864289101 /nfs/dbraw/zinc/28/91/01/864289101.db2.gz SUXZJNNCAKHOCQ-UHFFFAOYSA-N -1 0 403.243 4.267 20 30 HIEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000439132328 864566935 /nfs/dbraw/zinc/56/69/35/864566935.db2.gz XQALSTBZKWMNCY-UHFFFAOYSA-N -1 0 400.482 4.401 20 30 HIEDRM N#CC(=C([O-])c1cccc(C(=O)NC2CC2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000439645944 864972464 /nfs/dbraw/zinc/97/24/64/864972464.db2.gz KEHHAMMYSDQLGP-HNNXBMFYSA-N -1 0 423.444 4.471 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c(F)cc1F ZINC000440281205 865533467 /nfs/dbraw/zinc/53/34/67/865533467.db2.gz JZMAHWQQRUAHIB-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000441325455 866396305 /nfs/dbraw/zinc/39/63/05/866396305.db2.gz PUURHNHDOXBTFM-UHFFFAOYSA-N -1 0 404.451 4.035 20 30 HIEDRM CNC(=O)c1cccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000442672509 867606998 /nfs/dbraw/zinc/60/69/98/867606998.db2.gz QNTCTMXBOWHAMG-WGERFFLFSA-N -1 0 419.550 4.461 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1[O-] ZINC000442729335 867652279 /nfs/dbraw/zinc/65/22/79/867652279.db2.gz JXEKCSABXHUQIZ-UHFFFAOYSA-N -1 0 414.284 4.326 20 30 HIEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C(C)C ZINC000443408868 867989946 /nfs/dbraw/zinc/98/99/46/867989946.db2.gz IYZBSXVSHWFHNY-UHFFFAOYSA-N -1 0 414.453 4.498 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)nn1-c1cccc(F)c1 ZINC000443410395 867992647 /nfs/dbraw/zinc/99/26/47/867992647.db2.gz ZQMXXTWAQLRCSM-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1Cl ZINC000443418811 868004128 /nfs/dbraw/zinc/00/41/28/868004128.db2.gz ZVLWUCUFXOPTMW-UHFFFAOYSA-N -1 0 420.796 4.048 20 30 HIEDRM Cn1cc(-c2nn(C)cc2C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000444455965 868835049 /nfs/dbraw/zinc/83/50/49/868835049.db2.gz BJLTXCKSPLUQFL-HNNXBMFYSA-N -1 0 422.901 4.088 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000446775565 870691188 /nfs/dbraw/zinc/69/11/88/870691188.db2.gz JXGFZWDPRWFSAB-UHFFFAOYSA-N -1 0 403.660 4.055 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncc4n3CCCC4)c2)c(Cl)c1 ZINC000446949947 870858222 /nfs/dbraw/zinc/85/82/22/870858222.db2.gz YGMQCSQMHIGXGA-UHFFFAOYSA-N -1 0 412.902 4.212 20 30 HIEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3nnc(-c4cccc(Cl)c4)s3)on2)c1 ZINC000447486048 871369554 /nfs/dbraw/zinc/36/95/54/871369554.db2.gz AOCMTAJDSFXPKS-UHFFFAOYSA-N -1 0 407.842 4.637 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1ccc(C#N)s1 ZINC000447630924 871543334 /nfs/dbraw/zinc/54/33/34/871543334.db2.gz STFMGJBHUFAMKX-UHFFFAOYSA-N -1 0 415.471 4.120 20 30 HIEDRM C=C(C)[C@H](CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)c(F)cc1C)OCC ZINC000447636215 871551943 /nfs/dbraw/zinc/55/19/43/871551943.db2.gz JIMSYKYSUTZDEQ-IBGZPJMESA-N -1 0 420.506 4.245 20 30 HIEDRM C[C@@H](NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)c1ccc2c(c1)CCCC2 ZINC000447793175 871728554 /nfs/dbraw/zinc/72/85/54/871728554.db2.gz DRFYBOWMCOGQIT-MRXNPFEDSA-N -1 0 408.546 4.099 20 30 HIEDRM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccc(OC(F)F)c(F)c1 ZINC000447893584 871805824 /nfs/dbraw/zinc/80/58/24/871805824.db2.gz OGTFYAINKRELNX-UHFFFAOYSA-N -1 0 403.275 4.386 20 30 HIEDRM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])ccc2C)c1 ZINC000460825368 873711358 /nfs/dbraw/zinc/71/13/58/873711358.db2.gz UCNGVMQSISQJRN-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)CC3(CC(=O)[O-])CCCCC3)ccc21 ZINC000468821602 882876738 /nfs/dbraw/zinc/87/67/38/882876738.db2.gz DWEWBUYXBNQAPT-UHFFFAOYSA-N -1 0 411.502 4.023 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000462101516 875209784 /nfs/dbraw/zinc/20/97/84/875209784.db2.gz LHCUNWGFSKUKSJ-UHFFFAOYSA-N -1 0 408.321 4.252 20 30 HIEDRM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1cc(C(F)(F)F)ccc1F ZINC000462106497 875213123 /nfs/dbraw/zinc/21/31/23/875213123.db2.gz XMVSQTVDRLHQCF-UHFFFAOYSA-N -1 0 403.275 4.370 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(COC2CCCCC2)c1 ZINC000463522817 876590243 /nfs/dbraw/zinc/59/02/43/876590243.db2.gz JOWUGZKFYJMZOF-UHFFFAOYSA-N -1 0 400.500 4.217 20 30 HIEDRM CSc1ccc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3C#N)n2)cc1Cl ZINC000463785158 876904936 /nfs/dbraw/zinc/90/49/36/876904936.db2.gz YUAPVHSIPXKYLS-UHFFFAOYSA-N -1 0 422.894 4.059 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cc(C(F)(F)F)ccn1 ZINC000464406015 877609363 /nfs/dbraw/zinc/60/93/63/877609363.db2.gz NEZXWJFBMYXNSD-INIZCTEOSA-N -1 0 414.362 4.404 20 30 HIEDRM CC(C)c1cnc(-c2ccc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)cc2)o1 ZINC000466292376 880037980 /nfs/dbraw/zinc/03/79/80/880037980.db2.gz ZTTINHQWXIYEDV-UHFFFAOYSA-N -1 0 403.410 4.416 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)c(Cl)c1 ZINC000503982801 912895661 /nfs/dbraw/zinc/89/56/61/912895661.db2.gz NQYKSICMVFUUCC-CQSZACIVSA-N -1 0 410.751 4.072 20 30 HIEDRM COc1cc2c(cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)oc1ccccc12 ZINC000471120277 885656126 /nfs/dbraw/zinc/65/61/26/885656126.db2.gz HITSTSAHJZSQEI-UHFFFAOYSA-N -1 0 423.406 4.175 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000472439428 887288408 /nfs/dbraw/zinc/28/84/08/887288408.db2.gz LUBKZJOPJYWXKO-UHFFFAOYSA-N -1 0 411.295 4.184 20 30 HIEDRM CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2)n[nH]1 ZINC000473486796 888208428 /nfs/dbraw/zinc/20/84/28/888208428.db2.gz FAFVVKXBGHDACL-MRXNPFEDSA-N -1 0 400.467 4.043 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(I)c2)n1 ZINC000474425371 889289532 /nfs/dbraw/zinc/28/95/32/889289532.db2.gz ICWFYGFQXFYRMK-VIFPVBQESA-N -1 0 402.282 4.423 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C3CCCC3)cc2)n1 ZINC000474451497 889318346 /nfs/dbraw/zinc/31/83/46/889318346.db2.gz YLOVCSXRAYKAGO-KRWDZBQOSA-N -1 0 402.541 4.473 20 30 HIEDRM CC[C@@](C)(C#N)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000504634107 913384278 /nfs/dbraw/zinc/38/42/78/913384278.db2.gz JSGJAWBRDICVQI-IBGZPJMESA-N -1 0 421.906 4.028 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)ccc1Cl ZINC000476240524 891163670 /nfs/dbraw/zinc/16/36/70/891163670.db2.gz VOPIQDGLWLYHNZ-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000476500458 891411631 /nfs/dbraw/zinc/41/16/31/891411631.db2.gz PCNONONLUKRUGC-AWEZNQCLSA-N -1 0 410.751 4.072 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)c1 ZINC000476500459 891412752 /nfs/dbraw/zinc/41/27/52/891412752.db2.gz PCNONONLUKRUGC-CQSZACIVSA-N -1 0 410.751 4.072 20 30 HIEDRM Cn1cc(/C=C(/CC(=O)[O-])c2nc3cc(Br)ccc3s2)cc1C#N ZINC000478917613 894199453 /nfs/dbraw/zinc/19/94/53/894199453.db2.gz NRNPNRWNSLDYDO-WCIBSUBMSA-N -1 0 402.273 4.284 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000479491226 894811708 /nfs/dbraw/zinc/81/17/08/894811708.db2.gz VMQGRTQFOUELTR-UHFFFAOYSA-N -1 0 415.309 4.395 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)c1 ZINC000479497180 894815806 /nfs/dbraw/zinc/81/58/06/894815806.db2.gz KLHGYJJGUHABRH-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000479502469 894819667 /nfs/dbraw/zinc/81/96/67/894819667.db2.gz MKGQAULINYGTBZ-UHFFFAOYSA-N -1 0 417.899 4.326 20 30 HIEDRM CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479505065 894820411 /nfs/dbraw/zinc/82/04/11/894820411.db2.gz RBNHNYHOTSXECJ-UHFFFAOYSA-N -1 0 415.298 4.081 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cnn1-c1ccc(Cl)cc1 ZINC000480233470 895641507 /nfs/dbraw/zinc/64/15/07/895641507.db2.gz YMAGYIPZVHEYRC-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000480239397 895648480 /nfs/dbraw/zinc/64/84/80/895648480.db2.gz FRIIHDVKVARVQX-UHFFFAOYSA-N -1 0 421.309 4.414 20 30 HIEDRM CCc1c(NC(=O)c2ccc(C#N)c([O-])c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000481871567 897242570 /nfs/dbraw/zinc/24/25/70/897242570.db2.gz VBWZBAOTKHIOIW-UHFFFAOYSA-N -1 0 400.360 4.283 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(C(F)(F)F)c1 ZINC000481953168 897342619 /nfs/dbraw/zinc/34/26/19/897342619.db2.gz WGGNTTPNVXCQEU-UHFFFAOYSA-N -1 0 406.332 4.022 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481980130 897374584 /nfs/dbraw/zinc/37/45/84/897374584.db2.gz LTYYHRDFNNAJRI-UHFFFAOYSA-N -1 0 422.462 4.087 20 30 HIEDRM CCc1c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cnn1-c1cccc(Cl)c1 ZINC000482713180 898313239 /nfs/dbraw/zinc/31/32/39/898313239.db2.gz MSOSVGYRMLDQLQ-UHFFFAOYSA-N -1 0 413.890 4.035 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2)c1C(F)(F)F)c1cnc2ccccc2n1 ZINC000483189139 898848125 /nfs/dbraw/zinc/84/81/25/898848125.db2.gz BLWKHJISJVTHBD-CQSZACIVSA-N -1 0 407.355 4.324 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1cnc2ccccc2n1 ZINC000483192117 898849845 /nfs/dbraw/zinc/84/98/45/898849845.db2.gz GGAHWHDCACGXRF-GOSISDBHSA-N -1 0 422.423 4.235 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c3c2CCC3)c(C)c1 ZINC000483194798 898850905 /nfs/dbraw/zinc/85/09/05/898850905.db2.gz ADVNMCMVGFBWDA-SFHVURJKSA-N -1 0 407.477 4.411 20 30 HIEDRM N#CC(=C([O-])c1c[nH]nc1-c1cccc(OC(F)F)c1)c1cnc2ccccc2n1 ZINC000483205995 898858436 /nfs/dbraw/zinc/85/84/36/898858436.db2.gz ZSHGEZACRNYOKI-AWEZNQCLSA-N -1 0 405.364 4.111 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)n[nH]2)cc1 ZINC000484107341 899733227 /nfs/dbraw/zinc/73/32/27/899733227.db2.gz GSLFKYQJKJMPMW-INIZCTEOSA-N -1 0 401.451 4.094 20 30 HIEDRM CCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(C(=O)OCC)cs1 ZINC000505723720 914403652 /nfs/dbraw/zinc/40/36/52/914403652.db2.gz UFCNONIYKGGWAT-CYBMUJFWSA-N -1 0 419.484 4.220 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000485427662 900725068 /nfs/dbraw/zinc/72/50/68/900725068.db2.gz KUSDJCVIKSKJRQ-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM C=CCSc1ccccc1C(=O)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000485501458 900791327 /nfs/dbraw/zinc/79/13/27/900791327.db2.gz WKFPEMIFZNLYJX-UHFFFAOYSA-N -1 0 403.479 4.359 20 30 HIEDRM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000486531803 901682028 /nfs/dbraw/zinc/68/20/28/901682028.db2.gz BPEKTYLRGNSDQV-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc(-c2ccccc2)cs1 ZINC000490742722 904202070 /nfs/dbraw/zinc/20/20/70/904202070.db2.gz FHGDOMHJFLPIOI-HNNXBMFYSA-N -1 0 415.434 4.394 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000506182644 914836619 /nfs/dbraw/zinc/83/66/19/914836619.db2.gz LLTBNWVOGSHBQQ-UHFFFAOYSA-N -1 0 405.366 4.225 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)cc1 ZINC000496567111 906711132 /nfs/dbraw/zinc/71/11/32/906711132.db2.gz CVDBBYIYSHUFOG-AWEZNQCLSA-N -1 0 407.407 4.246 20 30 HIEDRM C=CCN(CCc1ccco1)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000496691168 906738121 /nfs/dbraw/zinc/73/81/21/906738121.db2.gz UJEWQPGHFDCGKX-UHFFFAOYSA-N -1 0 416.524 4.013 20 30 HIEDRM C=CCSc1ccccc1NC(=O)CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000497432393 906903224 /nfs/dbraw/zinc/90/32/24/906903224.db2.gz CIUVXBPUVYLRRD-UHFFFAOYSA-N -1 0 417.556 4.073 20 30 HIEDRM CCc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1S(C)(=O)=O ZINC000498680363 908109299 /nfs/dbraw/zinc/10/92/99/908109299.db2.gz IQIXFLNVSFIBMO-KRWDZBQOSA-N -1 0 410.520 4.266 20 30 HIEDRM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cnc21 ZINC000512952088 921434528 /nfs/dbraw/zinc/43/45/28/921434528.db2.gz AWWCYHLLCMWOGV-QGZVFWFLSA-N -1 0 402.483 4.096 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c(Cl)c1 ZINC000502415373 911396061 /nfs/dbraw/zinc/39/60/61/911396061.db2.gz NFWKVTWMNLTAJG-UHFFFAOYSA-N -1 0 417.899 4.326 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2OC(F)F)c(Cl)c1 ZINC000502777058 911801677 /nfs/dbraw/zinc/80/16/77/911801677.db2.gz LGRXHXIFDUIEEZ-UHFFFAOYSA-N -1 0 424.759 4.215 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c(Cl)c1 ZINC000502782449 911806537 /nfs/dbraw/zinc/80/65/37/911806537.db2.gz SABVJKZDEJMBJO-UHFFFAOYSA-N -1 0 408.917 4.015 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c(Cl)c1 ZINC000502822489 911838280 /nfs/dbraw/zinc/83/82/80/911838280.db2.gz DGOJZCPEFIUNJQ-UHFFFAOYSA-N -1 0 417.899 4.326 20 30 HIEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC000506711194 915389460 /nfs/dbraw/zinc/38/94/60/915389460.db2.gz OIGPXDLMZBKLQE-UHFFFAOYSA-N -1 0 424.478 4.306 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000507020900 915826551 /nfs/dbraw/zinc/82/65/51/915826551.db2.gz YMWPQRRPHPZHPY-KRWDZBQOSA-N -1 0 424.489 4.373 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509075140 917820113 /nfs/dbraw/zinc/82/01/13/917820113.db2.gz OJVRBHKZTKJEBF-UHFFFAOYSA-N -1 0 402.697 4.468 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000509396557 918063168 /nfs/dbraw/zinc/06/31/68/918063168.db2.gz LXYZAYJVCJLQNG-UHFFFAOYSA-N -1 0 409.311 4.100 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000509757711 918374048 /nfs/dbraw/zinc/37/40/48/918374048.db2.gz ZPGGRLCBQFBEFX-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM N#CC(=C([O-])c1cccc2c1OCC(=O)N2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000511757533 920439757 /nfs/dbraw/zinc/43/97/57/920439757.db2.gz PGEHODPRLBOFCE-CQSZACIVSA-N -1 0 409.854 4.284 20 30 HIEDRM Cc1c(Br)cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000511914685 920656618 /nfs/dbraw/zinc/65/66/18/920656618.db2.gz PIAVNGYLHTWUOB-LLVKDONJSA-N -1 0 400.188 4.297 20 30 HIEDRM N#CC(=C([O-])c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1nc2ccccc2o1 ZINC000515597701 923206815 /nfs/dbraw/zinc/20/68/15/923206815.db2.gz YSVFQVAOXBNAMR-IBGZPJMESA-N -1 0 420.428 4.076 20 30 HIEDRM CC(=O)N(c1nc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cs1)c1ccc(F)cc1 ZINC000515598831 923207489 /nfs/dbraw/zinc/20/74/89/923207489.db2.gz DIWDCOVMLZQPMM-WEVVVXLNSA-N -1 0 408.414 4.102 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(OC)c(OC)cc3OC)n2)cc1 ZINC000516270392 923638465 /nfs/dbraw/zinc/63/84/65/923638465.db2.gz VZCZIVAAEDJFQU-INIZCTEOSA-N -1 0 424.478 4.335 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(-c3ccc(C)o3)nc2C)n1 ZINC000516796172 923889890 /nfs/dbraw/zinc/88/98/90/923889890.db2.gz OUPMLIITIXUUJL-LLVKDONJSA-N -1 0 401.469 4.143 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C)nc4c3c(C)nn4C)n2)cc1 ZINC000517801075 926842401 /nfs/dbraw/zinc/84/24/01/926842401.db2.gz WZPWANQDPRLJLK-QGZVFWFLSA-N -1 0 417.494 4.207 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2COc2ccccc2)n1 ZINC000517926701 926893203 /nfs/dbraw/zinc/89/32/03/926893203.db2.gz YJCJEEAHEJMKTO-SFHVURJKSA-N -1 0 406.463 4.389 20 30 HIEDRM COCCOc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 ZINC000518516719 927320580 /nfs/dbraw/zinc/32/05/80/927320580.db2.gz UXOJQFJUCSUIHZ-LJQANCHMSA-N -1 0 408.479 4.334 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(-c3ccc(C)cc3)c2C(C)C)n1 ZINC000518661767 927413244 /nfs/dbraw/zinc/41/32/44/927413244.db2.gz VOXJQJGJGICBBO-MRXNPFEDSA-N -1 0 422.510 4.427 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)cc1C#N ZINC000519567123 928019348 /nfs/dbraw/zinc/01/93/48/928019348.db2.gz YNVIWTGNRNFLOT-UHFFFAOYSA-N -1 0 414.849 4.488 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2n1C(F)F ZINC000520921243 928875577 /nfs/dbraw/zinc/87/55/77/928875577.db2.gz VJAIOVPGZAVZEA-CQSZACIVSA-N -1 0 422.351 4.015 20 30 HIEDRM CCc1cccc(Cc2cnc([N-]S(=O)(=O)c3ccc(C#N)cc3F)s2)c1 ZINC000524809925 929838630 /nfs/dbraw/zinc/83/86/30/929838630.db2.gz HVGZTMZHFFSVSZ-UHFFFAOYSA-N -1 0 401.488 4.108 20 30 HIEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)nn1 ZINC000524932188 929896907 /nfs/dbraw/zinc/89/69/07/929896907.db2.gz SFZPXHLMMNROKV-GFCCVEGCSA-N -1 0 401.442 4.216 20 30 HIEDRM N#CCCSc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000525372194 930203088 /nfs/dbraw/zinc/20/30/88/930203088.db2.gz UPONDBCKAXLMAH-CYBMUJFWSA-N -1 0 408.467 4.022 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)cc1Cl ZINC000530969211 930871806 /nfs/dbraw/zinc/87/18/06/930871806.db2.gz GYOKRAQBBAEXJM-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)c(F)c1 ZINC000531106399 930921925 /nfs/dbraw/zinc/92/19/25/930921925.db2.gz UUPHMLXAKXLSBV-UHFFFAOYSA-N -1 0 418.837 4.079 20 30 HIEDRM C[C@H](C#N)CN(C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])C1CC1 ZINC000533610172 931923153 /nfs/dbraw/zinc/92/31/53/931923153.db2.gz VIVGUXANXXDOLB-SECBINFHSA-N -1 0 413.692 4.302 20 30 HIEDRM CC[C@@H](NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)c1ccc(Cl)cc1 ZINC000534633137 932611294 /nfs/dbraw/zinc/61/12/94/932611294.db2.gz DBPRYSNUWLSMKR-QGZVFWFLSA-N -1 0 402.926 4.263 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(OCC(F)F)c3)n2)cc1 ZINC000534690906 932662710 /nfs/dbraw/zinc/66/27/10/932662710.db2.gz JASBYPNUGMFRTF-OAHLLOKOSA-N -1 0 415.421 4.348 20 30 HIEDRM CC(C)(C)c1[n-]n(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)c(=O)c1CCC#N ZINC000535360547 933092055 /nfs/dbraw/zinc/09/20/55/933092055.db2.gz VJBHXGAFGCSRRA-NRFANRHFSA-N -1 0 408.546 4.390 20 30 HIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cs2)n1C ZINC000535407040 933120188 /nfs/dbraw/zinc/12/01/88/933120188.db2.gz XMXACXXXOGJKQK-AWEZNQCLSA-N -1 0 405.508 4.466 20 30 HIEDRM COCCOc1ncccc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000538768184 938705792 /nfs/dbraw/zinc/70/57/92/938705792.db2.gz UQHPIIAMULJRGN-MRXNPFEDSA-N -1 0 413.886 4.374 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)cc1C#N ZINC000539093865 938802023 /nfs/dbraw/zinc/80/20/23/938802023.db2.gz QVYCMFZNJNDRAN-SECBINFHSA-N -1 0 408.310 4.447 20 30 HIEDRM C=C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000761806891 939068907 /nfs/dbraw/zinc/06/89/07/939068907.db2.gz CHQSUKJKUKXNMU-XOBRGWDASA-N -1 0 402.288 4.225 20 30 HIEDRM Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C([O-])=C(C#N)c1nc2c(nccc2C)[nH]1 ZINC000540098510 939070848 /nfs/dbraw/zinc/07/08/48/939070848.db2.gz FZDABUIXZGSDHK-CQSZACIVSA-N -1 0 424.386 4.474 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c2cnn(Cc3cccs3)c2n1 ZINC000540777573 939368665 /nfs/dbraw/zinc/36/86/65/939368665.db2.gz UYWATNTTXAHLAM-INIZCTEOSA-N -1 0 413.462 4.481 20 30 HIEDRM O=S(=O)([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)C1CC1 ZINC000541189143 939484934 /nfs/dbraw/zinc/48/49/34/939484934.db2.gz BQXOSDFONNFWJW-JTQLQIEISA-N -1 0 415.277 4.409 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(F)c2F)C(F)(F)F)c(Cl)c1 ZINC000541311989 939490489 /nfs/dbraw/zinc/49/04/89/939490489.db2.gz NSWIOSRUJRZIEF-CQSZACIVSA-N -1 0 410.751 4.072 20 30 HIEDRM COc1ccc(C(=O)c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000542130119 939723823 /nfs/dbraw/zinc/72/38/23/939723823.db2.gz YSRQJHIQSIKAAE-HXUWFJFHSA-N -1 0 409.445 4.303 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000545381835 940567365 /nfs/dbraw/zinc/56/73/65/940567365.db2.gz GBNZRLLAEHPUIA-UHFFFAOYSA-N -1 0 421.194 4.020 20 30 HIEDRM C=CCCO[C@@H](C)c1nc(-c2c[n-]c3c(C)cc(Br)cc3c2=O)no1 ZINC000545782564 940590258 /nfs/dbraw/zinc/59/02/58/940590258.db2.gz XGVMIPPCLSLDMB-NSHDSACASA-N -1 0 404.264 4.303 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc4n3CCCC4)cc2)c(Cl)c1 ZINC000545856683 940639502 /nfs/dbraw/zinc/63/95/02/940639502.db2.gz GCLDJEDTOLYFJZ-UHFFFAOYSA-N -1 0 412.902 4.212 20 30 HIEDRM COc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000545860005 940640292 /nfs/dbraw/zinc/64/02/92/940640292.db2.gz LTCGYTWFMRTQAO-UHFFFAOYSA-N -1 0 414.874 4.160 20 30 HIEDRM Cc1ccc(-c2nn(Cc3ccccc3)cc2C([O-])=C(C#N)c2ccncn2)cc1C ZINC000546152483 940714624 /nfs/dbraw/zinc/71/46/24/940714624.db2.gz BKTAGJBIOKFYMF-OAQYLSRUSA-N -1 0 407.477 4.495 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3ccncn3)c3ccccc3n2)cc1OC ZINC000546153428 940715810 /nfs/dbraw/zinc/71/58/10/940715810.db2.gz SXDGTVCDMDWMGD-SFHVURJKSA-N -1 0 410.433 4.199 20 30 HIEDRM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Br)c3C#N)cc2s1 ZINC000550110622 941285719 /nfs/dbraw/zinc/28/57/19/941285719.db2.gz PAURBPNPSQWECM-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CN4CCc5ccc(C#N)cc54)nc(=O)c3s2)cc1 ZINC000550572917 941340751 /nfs/dbraw/zinc/34/07/51/941340751.db2.gz NJMPEOQOPWNHRM-UHFFFAOYSA-N -1 0 414.490 4.095 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(Cl)ccc2F)cnn1-c1cccc(C#N)c1 ZINC000551107740 941410959 /nfs/dbraw/zinc/41/09/59/941410959.db2.gz BJIOVWFRFMFSQH-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM O=S(=O)(CCC(F)(F)F)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000551214199 941428912 /nfs/dbraw/zinc/42/89/12/941428912.db2.gz DHPFBWZPOMWCAB-VIFPVBQESA-N -1 0 403.266 4.181 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cc1F ZINC000555135970 942398938 /nfs/dbraw/zinc/39/89/38/942398938.db2.gz VDROGTBCGNYFHK-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1s[n-]c(=O)c1Cl ZINC000555550564 942639080 /nfs/dbraw/zinc/63/90/80/942639080.db2.gz UBIJWHBSMPCACW-UHFFFAOYSA-N -1 0 405.676 4.232 20 30 HIEDRM C[C@@H](c1cccc(Br)c1)N(CC(=O)[O-])C(=O)Nc1ccc(C#N)cc1 ZINC000559413066 943940547 /nfs/dbraw/zinc/94/05/47/943940547.db2.gz FGNPMJSYDNTOFL-LBPRGKRZSA-N -1 0 402.248 4.000 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccc(Cl)cc2Cl)o1 ZINC000561698720 944752687 /nfs/dbraw/zinc/75/26/87/944752687.db2.gz YKOFQNKTKPULDA-UHFFFAOYSA-N -1 0 410.238 4.446 20 30 HIEDRM O=S(=O)([N-]c1ncc(C(F)(F)F)s1)c1c(F)cccc1OC(F)(F)F ZINC000561767592 944788201 /nfs/dbraw/zinc/78/82/01/944788201.db2.gz SEAMKOPSNWDSID-UHFFFAOYSA-N -1 0 410.292 4.000 20 30 HIEDRM N#C[C@@H](C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)c1cnc2ccccc2n1 ZINC000561984107 944885878 /nfs/dbraw/zinc/88/58/78/944885878.db2.gz HQXSSBDTEDAZSN-CYBMUJFWSA-N -1 0 409.327 4.189 20 30 HIEDRM CC(C)N(C(=O)Nc1cccc(C#N)c1)[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000565399981 945826561 /nfs/dbraw/zinc/82/65/61/945826561.db2.gz PVABXXDYKFYIDH-KRWDZBQOSA-N -1 0 416.275 4.389 20 30 HIEDRM O=S(=O)(CCC(F)(F)F)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000567185315 946262555 /nfs/dbraw/zinc/26/25/55/946262555.db2.gz RLDFCCDLWICYFG-SECBINFHSA-N -1 0 403.266 4.181 20 30 HIEDRM CC(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cc2)n1 ZINC000569241645 946839094 /nfs/dbraw/zinc/83/90/94/946839094.db2.gz DBUJGIASSYGEDG-UHFFFAOYSA-N -1 0 416.890 4.110 20 30 HIEDRM C=CCN(C(=O)Nc1cccc(-c2nc(C)co2)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000574592356 948485226 /nfs/dbraw/zinc/48/52/26/948485226.db2.gz ZLIPVNKJUVVDID-FQEVSTJZSA-N -1 0 405.454 4.366 20 30 HIEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000574613461 948492935 /nfs/dbraw/zinc/49/29/35/948492935.db2.gz MFDKLKZENWUJNL-UHFFFAOYSA-N -1 0 416.462 4.403 20 30 HIEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 ZINC000436009789 861300393 /nfs/dbraw/zinc/30/03/93/861300393.db2.gz VUDAJLGBJWRQIB-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM CN(CCC#N)c1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000013058505 845904187 /nfs/dbraw/zinc/90/41/87/845904187.db2.gz OOUBXBCZKAGKFM-PDGQHHTCSA-N -1 0 423.519 4.140 20 30 HIEDRM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3cccs3)cc2)cc1 ZINC000013366830 845915485 /nfs/dbraw/zinc/91/54/85/845915485.db2.gz ZXQSNPKJEQTRFU-FMIVXFBMSA-N -1 0 413.476 4.143 20 30 HIEDRM O=C(c1ccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1)N1CCCCC1 ZINC000016937107 846221267 /nfs/dbraw/zinc/22/12/67/846221267.db2.gz RSWJGULTBPQICA-LPYMAVHISA-N -1 0 401.850 4.199 20 30 HIEDRM C=CCN(Cc1ccccc1)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000024497263 846832364 /nfs/dbraw/zinc/83/23/64/846832364.db2.gz GPGZOSXCBJAZJX-UHFFFAOYSA-N -1 0 412.536 4.377 20 30 HIEDRM CSc1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1-c1ccccc1 ZINC000041553647 848230350 /nfs/dbraw/zinc/23/03/50/848230350.db2.gz LRKYZCMGIHNVMF-CQSZACIVSA-N -1 0 402.401 4.498 20 30 HIEDRM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000048829806 849272839 /nfs/dbraw/zinc/27/28/39/849272839.db2.gz URVJPGDJJATSLB-OAHLLOKOSA-N -1 0 407.355 4.300 20 30 HIEDRM CC(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000051534231 849481753 /nfs/dbraw/zinc/48/17/53/849481753.db2.gz VSQMWWOEYCUHCB-SFHVURJKSA-N -1 0 410.520 4.482 20 30 HIEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12 ZINC000051656680 849498734 /nfs/dbraw/zinc/49/87/34/849498734.db2.gz GSUWSSRGVCUGJD-ZDUSSCGKSA-N -1 0 415.400 4.395 20 30 HIEDRM N#CC(=C([O-])c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc2ccccc2o1 ZINC000054734493 849915032 /nfs/dbraw/zinc/91/50/32/849915032.db2.gz DTDJRQPXFWDVON-GOSISDBHSA-N -1 0 413.433 4.247 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(C(F)(F)F)c1 ZINC000055637853 850086396 /nfs/dbraw/zinc/08/63/96/850086396.db2.gz USYWZUBGAKXXFN-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1 ZINC000055652355 850098164 /nfs/dbraw/zinc/09/81/64/850098164.db2.gz JBYJOKPVYGNNEX-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM N#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)s3)c2)c1 ZINC000055652360 850098228 /nfs/dbraw/zinc/09/82/28/850098228.db2.gz FSACLYLKSAWKIK-UHFFFAOYSA-N -1 0 417.899 4.326 20 30 HIEDRM C=CCN(Cc1ccccc1)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000056916453 850515965 /nfs/dbraw/zinc/51/59/65/850515965.db2.gz SVJGGSDBSSLSHR-UHFFFAOYSA-N -1 0 412.536 4.377 20 30 HIEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 ZINC000060765374 851208443 /nfs/dbraw/zinc/20/84/43/851208443.db2.gz HCXMTJGYPMVRMS-UHFFFAOYSA-N -1 0 403.500 4.251 20 30 HIEDRM O=C(CSCc1cc(-c2cccs2)on1)[N-]S(=O)(=O)C1CCCCC1 ZINC000061080664 851291138 /nfs/dbraw/zinc/29/11/38/851291138.db2.gz YRDYBLYZITXYIT-UHFFFAOYSA-N -1 0 400.547 4.255 20 30 HIEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C(F)(F)F)c1 ZINC000064375118 851881638 /nfs/dbraw/zinc/88/16/38/851881638.db2.gz DMWHGOMSKKFKLG-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM Cc1nn(C(F)F)c(C)c1CC(=O)[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000065484481 852155263 /nfs/dbraw/zinc/15/52/63/852155263.db2.gz JUGXDRUHXDUOTC-UHFFFAOYSA-N -1 0 413.490 4.389 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000098067334 852652035 /nfs/dbraw/zinc/65/20/35/852652035.db2.gz BPTYUEYWLKAYGM-UHFFFAOYSA-N -1 0 408.882 4.094 20 30 HIEDRM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000195662674 853744170 /nfs/dbraw/zinc/74/41/70/853744170.db2.gz GVZJHFSFNOBVRQ-HNNXBMFYSA-N -1 0 421.507 4.314 20 30 HIEDRM COc1ccc(C(=O)/C=C\c2ccccc2OCc2ccccn2)cc1CC(=O)[O-] ZINC000210115836 853813572 /nfs/dbraw/zinc/81/35/72/853813572.db2.gz RYJSHXTWCLDOCO-LUAWRHEFSA-N -1 0 403.434 4.192 20 30 HIEDRM COc1cc(/C=C\C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)cc2c1OCCO2 ZINC000213624311 853826217 /nfs/dbraw/zinc/82/62/17/853826217.db2.gz AJMXADIMFJTKBR-UQCOIBPSSA-N -1 0 406.390 4.321 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000216006350 853842048 /nfs/dbraw/zinc/84/20/48/853842048.db2.gz NTDINWXSXRQUGW-AWEZNQCLSA-N -1 0 403.423 4.095 20 30 HIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000237580017 854058135 /nfs/dbraw/zinc/05/81/35/854058135.db2.gz DJXPXCHJAUHMLI-JTQLQIEISA-N -1 0 414.405 4.224 20 30 HIEDRM Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237675873 854073305 /nfs/dbraw/zinc/07/33/05/854073305.db2.gz ZKSHBEFYIWODAG-UHFFFAOYSA-N -1 0 423.419 4.174 20 30 HIEDRM Cc1noc(-c2ccccc2C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000237745166 854087929 /nfs/dbraw/zinc/08/79/29/854087929.db2.gz APAJTUVMFRNKNX-UHFFFAOYSA-N -1 0 423.428 4.395 20 30 HIEDRM Cc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)n2c3ccccc3nc2c1C#N ZINC000302220523 854552845 /nfs/dbraw/zinc/55/28/45/854552845.db2.gz RUIUBLVDNGIPPX-UHFFFAOYSA-N -1 0 400.467 4.014 20 30 HIEDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1Cl ZINC000303312648 854866959 /nfs/dbraw/zinc/86/69/59/854866959.db2.gz SNMWGFXWXSQQAQ-UHFFFAOYSA-N -1 0 415.298 4.485 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nc(-c4cnn(C)c4)oc3C)n2)cc1 ZINC000437354569 862634823 /nfs/dbraw/zinc/63/48/23/862634823.db2.gz MCXVITONVBJLCX-INIZCTEOSA-N -1 0 419.466 4.006 20 30 HIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)cc1 ZINC000320425359 855388460 /nfs/dbraw/zinc/38/84/60/855388460.db2.gz AQRRFLCVYPGKQC-UHFFFAOYSA-N -1 0 414.712 4.099 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000437381569 862692868 /nfs/dbraw/zinc/69/28/68/862692868.db2.gz RPVAHXFIDKHWMJ-VIFPVBQESA-N -1 0 402.781 4.482 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)c1 ZINC000410355107 855945732 /nfs/dbraw/zinc/94/57/32/855945732.db2.gz RSHYSZOFDDQDFM-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1 ZINC000410363539 855951778 /nfs/dbraw/zinc/95/17/78/855951778.db2.gz JNDYCWVCJSNUAN-UHFFFAOYSA-N -1 0 419.222 4.335 20 30 HIEDRM N#Cc1ccc(Oc2cccc(C(=O)N=c3nc(Cc4ccccc4)[n-]s3)c2)cc1 ZINC000410365517 855953666 /nfs/dbraw/zinc/95/36/66/855953666.db2.gz LFYOZZWBAVVQLW-UHFFFAOYSA-N -1 0 412.474 4.467 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(Cc3nc4ccccc4s3)cc2)cc1C#N ZINC000427125765 856655351 /nfs/dbraw/zinc/65/53/51/856655351.db2.gz HDDZEIKBVGMFPH-UHFFFAOYSA-N -1 0 420.519 4.263 20 30 HIEDRM Cc1csc(Sc2ccc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)c(C)c2)n1 ZINC000427193841 856704642 /nfs/dbraw/zinc/70/46/42/856704642.db2.gz VVTYCBYHJVTCMY-UHFFFAOYSA-N -1 0 416.553 4.287 20 30 HIEDRM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c1 ZINC000427210973 856714697 /nfs/dbraw/zinc/71/46/97/856714697.db2.gz JOTWRAWLHMXNOP-UHFFFAOYSA-N -1 0 424.931 4.323 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(Sc3ccccc3)cc2)cc1C#N ZINC000437471027 862833097 /nfs/dbraw/zinc/83/30/97/862833097.db2.gz KLNCCZBLACQCTH-UHFFFAOYSA-N -1 0 407.520 4.462 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2cccc(-c3ccc4ccccc4c3)n2)cc1C#N ZINC000427770614 856947413 /nfs/dbraw/zinc/94/74/13/856947413.db2.gz YTHUTZQCIDQTQK-UHFFFAOYSA-N -1 0 400.463 4.278 20 30 HIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2cc(C)n(C[C@@H]3CCCO3)c2C)cs1 ZINC000427794276 856957980 /nfs/dbraw/zinc/95/79/80/856957980.db2.gz SLXIPFJDCUOJBC-INIZCTEOSA-N -1 0 409.577 4.115 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1C#N ZINC000428360204 857172388 /nfs/dbraw/zinc/17/23/88/857172388.db2.gz IQTSCBWEFXDPHX-UHFFFAOYSA-N -1 0 402.435 4.297 20 30 HIEDRM Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)nc21 ZINC000429586610 857770526 /nfs/dbraw/zinc/77/05/26/857770526.db2.gz BREQSXWMRAKPSK-MRXNPFEDSA-N -1 0 412.409 4.408 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2c(F)cccc2F)n1)c1nc(-c2ccncc2)cs1 ZINC000429733054 857856002 /nfs/dbraw/zinc/85/60/02/857856002.db2.gz AUVLCFRQVRZQGK-CYBMUJFWSA-N -1 0 407.405 4.159 20 30 HIEDRM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000430374064 858138507 /nfs/dbraw/zinc/13/85/07/858138507.db2.gz AUPHGKHGRNDBTF-UHFFFAOYSA-N -1 0 401.488 4.162 20 30 HIEDRM COCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430601494 858233512 /nfs/dbraw/zinc/23/35/12/858233512.db2.gz UOLRTRQSFNDYHD-MRXNPFEDSA-N -1 0 424.526 4.142 20 30 HIEDRM Cn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000430610413 858236275 /nfs/dbraw/zinc/23/62/75/858236275.db2.gz KSBRQHBAONLWEB-CQSZACIVSA-N -1 0 409.471 4.239 20 30 HIEDRM N#CC(=C([O-])c1ccc(Br)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000432231119 859058953 /nfs/dbraw/zinc/05/89/53/859058953.db2.gz JWVWCZRRXIHXDZ-LLVKDONJSA-N -1 0 402.229 4.457 20 30 HIEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1C1CC1 ZINC000432773491 859354068 /nfs/dbraw/zinc/35/40/68/859354068.db2.gz GWCHQFBKATYSRI-LLVKDONJSA-N -1 0 423.336 4.166 20 30 HIEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432775961 859354596 /nfs/dbraw/zinc/35/45/96/859354596.db2.gz KZIHQOUYKGXXLS-UHFFFAOYSA-N -1 0 418.272 4.085 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2cccc(OCc3ccccc3)c2)cc1C#N ZINC000434311650 860273658 /nfs/dbraw/zinc/27/36/58/860273658.db2.gz HURDMDNHKLHQNL-OAHLLOKOSA-N -1 0 419.506 4.451 20 30 HIEDRM COc1ccc(Cl)cc1-c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n[nH]1 ZINC000434963167 860576918 /nfs/dbraw/zinc/57/69/18/860576918.db2.gz PNFOZPMWDONCII-UHFFFAOYSA-N -1 0 423.281 4.065 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)s1 ZINC000435473512 860811130 /nfs/dbraw/zinc/81/11/30/860811130.db2.gz IXWAEUPKEKMHAU-UHFFFAOYSA-N -1 0 423.947 4.136 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)s1 ZINC000435482612 860814823 /nfs/dbraw/zinc/81/48/23/860814823.db2.gz ODILPOFJGOWUMO-UHFFFAOYSA-N -1 0 407.492 4.078 20 30 HIEDRM CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)ccc2n1 ZINC000438751924 864242191 /nfs/dbraw/zinc/24/21/91/864242191.db2.gz DQSUMMDHDVFSJB-UHFFFAOYSA-N -1 0 408.405 4.308 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1Br ZINC000438808093 864299185 /nfs/dbraw/zinc/29/91/85/864299185.db2.gz IXRXHUOPPBSASY-UHFFFAOYSA-N -1 0 409.305 4.217 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc3ncccc3c2)cnn1-c1cccc(C#N)c1 ZINC000438840193 864332982 /nfs/dbraw/zinc/33/29/82/864332982.db2.gz HTNRBIQCBAWWCH-UHFFFAOYSA-N -1 0 417.494 4.045 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000439564304 864888834 /nfs/dbraw/zinc/88/88/34/864888834.db2.gz CHTJHKKOVSHDMN-UHFFFAOYSA-N -1 0 408.464 4.156 20 30 HIEDRM Cc1nnc(Sc2ccc([N-]S(=O)(=O)c3cccc(C)c3C#N)c(C)c2)s1 ZINC000440830280 865945100 /nfs/dbraw/zinc/94/51/00/865945100.db2.gz KQYGEEULLAEUKO-UHFFFAOYSA-N -1 0 416.553 4.287 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C(=O)N4CCCC4)n3)n2)cc1 ZINC000442684649 867618059 /nfs/dbraw/zinc/61/80/59/867618059.db2.gz XXODXUOPRXCIQI-QGZVFWFLSA-N -1 0 416.506 4.240 20 30 HIEDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443365553 867930767 /nfs/dbraw/zinc/93/07/67/867930767.db2.gz DLYRLWFQDHYCJE-UHFFFAOYSA-N -1 0 417.231 4.031 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)ccc1C(F)(F)F ZINC000443407655 867987952 /nfs/dbraw/zinc/98/79/52/867987952.db2.gz QKBCXUAWKGNRHB-UHFFFAOYSA-N -1 0 424.322 4.161 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(Cc3cccc4ccccc43)o2)c(Cl)c1 ZINC000446773366 870687776 /nfs/dbraw/zinc/68/77/76/870687776.db2.gz QFZOESHUEWXVOJ-UHFFFAOYSA-N -1 0 424.869 4.139 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(Cc3cccc4ccccc43)o2)cc1Cl ZINC000446785765 870702478 /nfs/dbraw/zinc/70/24/78/870702478.db2.gz MQVPDPLMWFKWHU-UHFFFAOYSA-N -1 0 424.869 4.139 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Oc2cccc(F)c2F)nc1 ZINC000447271615 871158498 /nfs/dbraw/zinc/15/84/98/871158498.db2.gz RXNPLUBZRBHDEE-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3n[nH]c(-c4cccc(C(F)(F)F)c4)n3)on2)c1 ZINC000448102873 871947942 /nfs/dbraw/zinc/94/79/42/871947942.db2.gz YDMLRLFPHBQLRF-UHFFFAOYSA-N -1 0 424.342 4.269 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c(Cl)c1Cl ZINC000460838009 873727022 /nfs/dbraw/zinc/72/70/22/873727022.db2.gz QNADSRUNITUGPK-UHFFFAOYSA-N -1 0 423.224 4.276 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c1Br ZINC000463375124 876429898 /nfs/dbraw/zinc/42/98/98/876429898.db2.gz JZTHCZCEWJWZOX-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM O=S(=O)([N-]c1cnn(C(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000463782082 876902124 /nfs/dbraw/zinc/90/21/24/876902124.db2.gz NPBQHIKKKKUTCU-UHFFFAOYSA-N -1 0 409.258 4.117 20 30 HIEDRM C[C@@H]1CCCN(c2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)ccn2)C1 ZINC000464179293 877348410 /nfs/dbraw/zinc/34/84/10/877348410.db2.gz ATOABTBMYBOWDP-CRAIPNDOSA-N -1 0 403.511 4.326 20 30 HIEDRM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464478087 877697939 /nfs/dbraw/zinc/69/79/39/877697939.db2.gz UGJHGYKSOKHGFC-HNNXBMFYSA-N -1 0 407.355 4.300 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)c(F)c1 ZINC000466347447 880104428 /nfs/dbraw/zinc/10/44/28/880104428.db2.gz RDPGREJVRIJPGN-UHFFFAOYSA-N -1 0 400.406 4.216 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1Oc1cccnc1 ZINC000466351840 880109303 /nfs/dbraw/zinc/10/93/03/880109303.db2.gz HLQFQQKGAQHTEP-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cn2)c1C ZINC000471114987 885650197 /nfs/dbraw/zinc/65/01/97/885650197.db2.gz XOUFSTXAAHIJGD-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM Cc1cccc(Oc2ncccc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1C ZINC000471132648 885672886 /nfs/dbraw/zinc/67/28/86/885672886.db2.gz GBZPWGYCEHTYSJ-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM Cc1cc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)cc(C(=O)[O-])c1C ZINC000471133854 885675286 /nfs/dbraw/zinc/67/52/86/885675286.db2.gz RKGSVSGYMHWDBA-CYBMUJFWSA-N -1 0 404.513 4.197 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000474389711 889262003 /nfs/dbraw/zinc/26/20/03/889262003.db2.gz NRRJDEZFIRAIQS-UHFFFAOYSA-N -1 0 406.332 4.022 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000475789864 890729530 /nfs/dbraw/zinc/72/95/30/890729530.db2.gz NRHGTXUQMUEULN-UHFFFAOYSA-N -1 0 407.282 4.046 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)sc1SCC#N ZINC000476241420 891165501 /nfs/dbraw/zinc/16/55/01/891165501.db2.gz ZEGNMJRIWPRHHO-UHFFFAOYSA-N -1 0 408.357 4.316 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000476425024 891337775 /nfs/dbraw/zinc/33/77/75/891337775.db2.gz AUJOGVOOAVVSDR-UHFFFAOYSA-N -1 0 418.837 4.079 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](COc2ccccc2F)c2ccccc2)cc1C#N ZINC000476820360 891805112 /nfs/dbraw/zinc/80/51/12/891805112.db2.gz GQSCWWINZBKBLV-SFHVURJKSA-N -1 0 423.469 4.070 20 30 HIEDRM N#CC(=C([O-])c1ccc(F)c(I)c1)c1nc2ccccc2o1 ZINC000477867699 892927929 /nfs/dbraw/zinc/92/79/29/892927929.db2.gz ZCANKEPACBHSIK-JTQLQIEISA-N -1 0 406.154 4.062 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cn(CC(F)(F)F)nc3C)n2)cc1 ZINC000477876539 892938552 /nfs/dbraw/zinc/93/85/52/892938552.db2.gz MIDYNWINWXUACB-AWEZNQCLSA-N -1 0 420.416 4.376 20 30 HIEDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000479126322 894394388 /nfs/dbraw/zinc/39/43/88/894394388.db2.gz FWUATFQLMFFCMI-UHFFFAOYSA-N -1 0 400.891 4.123 20 30 HIEDRM CCCCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479518478 894829654 /nfs/dbraw/zinc/82/96/54/894829654.db2.gz QKOFGUWLVOKKDP-UHFFFAOYSA-N -1 0 422.934 4.346 20 30 HIEDRM Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479520223 894830382 /nfs/dbraw/zinc/83/03/82/894830382.db2.gz WEVDVJLDOPGGFV-UHFFFAOYSA-N -1 0 416.915 4.262 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)nn1-c1cccc(Cl)c1 ZINC000479522076 894831762 /nfs/dbraw/zinc/83/17/62/894831762.db2.gz MDVDHWJKMSOCFP-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1C(F)(F)F ZINC000480102315 895470486 /nfs/dbraw/zinc/47/04/86/895470486.db2.gz CCXYYWOSTNXDSO-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000480218039 895622759 /nfs/dbraw/zinc/62/27/59/895622759.db2.gz CEIYSTSIWWYEPF-UHFFFAOYSA-N -1 0 421.309 4.414 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c(F)c1 ZINC000480220420 895624796 /nfs/dbraw/zinc/62/47/96/895624796.db2.gz GMNMYVICKXZVPA-UHFFFAOYSA-N -1 0 413.430 4.003 20 30 HIEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1C(C)C ZINC000480223719 895626660 /nfs/dbraw/zinc/62/66/60/895626660.db2.gz IXXUSHCNYARZKT-UHFFFAOYSA-N -1 0 414.453 4.498 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cnn1-c1ccccc1Cl ZINC000480224956 895630141 /nfs/dbraw/zinc/63/01/41/895630141.db2.gz MKRLLHRCJRQCQY-UHFFFAOYSA-N -1 0 421.309 4.414 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000480228088 895631386 /nfs/dbraw/zinc/63/13/86/895631386.db2.gz RBNPOIFPPDCBFH-UHFFFAOYSA-N -1 0 420.416 4.126 20 30 HIEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)cn2)C[C@H](C)O1 ZINC000505426643 914090827 /nfs/dbraw/zinc/09/08/27/914090827.db2.gz BOTDKWCSCVZJFM-FCEWJHQRSA-N -1 0 418.522 4.309 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000481580865 896961541 /nfs/dbraw/zinc/96/15/41/896961541.db2.gz MCBUUPPIJFACFI-UHFFFAOYSA-N -1 0 405.526 4.251 20 30 HIEDRM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)nc2)cc1Cl ZINC000481859029 897225752 /nfs/dbraw/zinc/22/57/52/897225752.db2.gz DUVYPKZJBAPIDT-UHFFFAOYSA-N -1 0 413.886 4.392 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)cc1Cl ZINC000481962364 897351399 /nfs/dbraw/zinc/35/13/99/897351399.db2.gz PJEVHMXRKRZYKB-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM CCCc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1-c1ccccc1Cl ZINC000483205381 898858517 /nfs/dbraw/zinc/85/85/17/898858517.db2.gz SPNURIGZKLHPAM-AWEZNQCLSA-N -1 0 416.872 4.306 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nccc3ccccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000483219499 898864805 /nfs/dbraw/zinc/86/48/05/898864805.db2.gz UBIWANRFXXWAFW-AWEZNQCLSA-N -1 0 413.336 4.243 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)nnn1-c1cccc(Cl)c1 ZINC000483231740 898876123 /nfs/dbraw/zinc/87/61/23/898876123.db2.gz FWPLWBWDMFEIMC-INIZCTEOSA-N -1 0 416.872 4.306 20 30 HIEDRM CCc1ccc(-n2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c3c2CCC3)cc1 ZINC000483234914 898878813 /nfs/dbraw/zinc/87/88/13/898878813.db2.gz WMAMTLXHTCHGKY-LJQANCHMSA-N -1 0 407.477 4.357 20 30 HIEDRM Cn1cc(-c2ncc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cn1 ZINC000483283073 898920409 /nfs/dbraw/zinc/92/04/09/898920409.db2.gz LESRVVCRVMAEOU-HNNXBMFYSA-N -1 0 416.491 4.029 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc([N+](=O)[O-])c3OC)n2)cc1 ZINC000483479550 899125397 /nfs/dbraw/zinc/12/53/97/899125397.db2.gz VEJQVRJVAQAJQT-OAHLLOKOSA-N -1 0 409.423 4.226 20 30 HIEDRM Cn1ncc(Cl)c1S(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000485401558 900698894 /nfs/dbraw/zinc/69/88/94/900698894.db2.gz GTZRRZLADGFYEN-HNNXBMFYSA-N -1 0 421.309 4.183 20 30 HIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000485905600 901134010 /nfs/dbraw/zinc/13/40/10/901134010.db2.gz HXBLZGAJMWKXRG-UHFFFAOYSA-N -1 0 409.360 4.294 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)(C)C)c2-c2ccccc2)n1 ZINC000488065562 902579045 /nfs/dbraw/zinc/57/90/45/902579045.db2.gz CCQVPWQZPSJAHR-HNNXBMFYSA-N -1 0 422.510 4.428 20 30 HIEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1[N+](=O)[O-] ZINC000491601398 904669522 /nfs/dbraw/zinc/66/95/22/904669522.db2.gz LLCHZWLUJXPQRP-CQSZACIVSA-N -1 0 405.501 4.407 20 30 HIEDRM O=S(=O)([N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cccc(F)c1F ZINC000512422487 921150263 /nfs/dbraw/zinc/15/02/63/921150263.db2.gz SXQWKJKSPJUZDK-ZDUSSCGKSA-N -1 0 417.302 4.148 20 30 HIEDRM COc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000495240516 906328423 /nfs/dbraw/zinc/32/84/23/906328423.db2.gz DEJISTAQXLQDJJ-LBPRGKRZSA-N -1 0 415.377 4.495 20 30 HIEDRM CC(C)Oc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000495250208 906336587 /nfs/dbraw/zinc/33/65/87/906336587.db2.gz PXGWQQKRFMTMIB-ZDUSSCGKSA-N -1 0 400.360 4.321 20 30 HIEDRM C=CCn1c(SCc2nnn[n-]2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000497229942 906822499 /nfs/dbraw/zinc/82/24/99/906822499.db2.gz OSXTXNXOOPPEKQ-ZDUSSCGKSA-N -1 0 415.592 4.149 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)c(C)c1C(=O)[O-] ZINC000512752937 921301817 /nfs/dbraw/zinc/30/18/17/921301817.db2.gz SXAVJWINQJNJLF-CYBMUJFWSA-N -1 0 404.513 4.197 20 30 HIEDRM CCc1ccc(-c2csc(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)n2)s1 ZINC000497883414 907357189 /nfs/dbraw/zinc/35/71/89/907357189.db2.gz NAJFVOWJKWVNTN-UHFFFAOYSA-N -1 0 402.526 4.380 20 30 HIEDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000512964789 921441008 /nfs/dbraw/zinc/44/10/08/921441008.db2.gz VFWIXEAFZFWWJU-BVGQSLNGSA-N -1 0 402.479 4.290 20 30 HIEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000506644135 915313226 /nfs/dbraw/zinc/31/32/26/915313226.db2.gz AQOCRCZDZCQDDH-CQSZACIVSA-N -1 0 406.529 4.037 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)(F)F ZINC000513412760 921780461 /nfs/dbraw/zinc/78/04/61/921780461.db2.gz CIUZVIXDMQMJCQ-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000513417290 921784572 /nfs/dbraw/zinc/78/45/72/921784572.db2.gz YQDCANQMEIXRLF-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2cnn(-c3ccccc3)c2)n1)c1nc2ccccc2[nH]1 ZINC000507024410 915828863 /nfs/dbraw/zinc/82/88/63/915828863.db2.gz PFRLOSWBXABGPM-INIZCTEOSA-N -1 0 410.462 4.362 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(Cn2cnc3ccccc32)cc1 ZINC000507270363 916033166 /nfs/dbraw/zinc/03/31/66/916033166.db2.gz PILFPIFAOPENRK-UHFFFAOYSA-N -1 0 422.897 4.410 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)cc1C#N ZINC000507819560 916613980 /nfs/dbraw/zinc/61/39/80/916613980.db2.gz UZWLGSZGKFQADP-GOSISDBHSA-N -1 0 424.913 4.143 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)nc2ccccc12 ZINC000508125801 916942843 /nfs/dbraw/zinc/94/28/43/916942843.db2.gz QRVOEHUKNHSGDN-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2c[nH]c3ccccc32)C(F)(F)F)c(Cl)c1 ZINC000508127902 916946653 /nfs/dbraw/zinc/94/66/53/916946653.db2.gz LLMMLMLTRDDIBU-MRXNPFEDSA-N -1 0 413.808 4.275 20 30 HIEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000509386220 918051592 /nfs/dbraw/zinc/05/15/92/918051592.db2.gz QPARGSWIRFHXML-UHFFFAOYSA-N -1 0 419.222 4.335 20 30 HIEDRM CC[C@H]([N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)c1nc(C(F)(F)F)cs1 ZINC000510309954 918822238 /nfs/dbraw/zinc/82/22/38/918822238.db2.gz WYRLIPBPNHTPOI-ZETCQYMHSA-N -1 0 422.347 4.148 20 30 HIEDRM N#Cc1cccc(COc2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2F)c1 ZINC000510846547 919332700 /nfs/dbraw/zinc/33/27/00/919332700.db2.gz RPWXKLBOHDGGTN-UHFFFAOYSA-N -1 0 407.357 4.142 20 30 HIEDRM CC(C)(C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)c1cc(F)cc(C#N)c1 ZINC000511794949 920489163 /nfs/dbraw/zinc/48/91/63/920489163.db2.gz GPXAJHSLUMLKOS-UHFFFAOYSA-N -1 0 400.866 4.207 20 30 HIEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)c1 ZINC000515452478 923111233 /nfs/dbraw/zinc/11/12/33/923111233.db2.gz HTVVUHBPFLXXSR-UHFFFAOYSA-N -1 0 416.568 4.438 20 30 HIEDRM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000515542459 923165943 /nfs/dbraw/zinc/16/59/43/923165943.db2.gz PEXRSBQVBFKPJA-KQZSUJQPSA-N -1 0 410.499 4.348 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(COc3ccc(F)cc3)o2)n1 ZINC000516352032 923682453 /nfs/dbraw/zinc/68/24/53/923682453.db2.gz IWUPDXAYMKFYKS-OAHLLOKOSA-N -1 0 414.414 4.121 20 30 HIEDRM N#CC(=C([O-])c1cccc(S(=O)(=O)Cc2ccccc2)c1)c1nc2ccccc2o1 ZINC000517426029 924175506 /nfs/dbraw/zinc/17/55/06/924175506.db2.gz HLBOJIIBDQVCCJ-IBGZPJMESA-N -1 0 416.458 4.292 20 30 HIEDRM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2S[C@H](C)CC#N)cc1C(=O)[O-] ZINC000517519760 924242992 /nfs/dbraw/zinc/24/29/92/924242992.db2.gz OGNXUKLAOFJRDN-CQSZACIVSA-N -1 0 404.513 4.197 20 30 HIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)cs2)cc1OC ZINC000517801831 926842027 /nfs/dbraw/zinc/84/20/27/926842027.db2.gz MTZUBSQXBQZKNO-AWEZNQCLSA-N -1 0 416.462 4.261 20 30 HIEDRM CCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] ZINC000517800991 926842317 /nfs/dbraw/zinc/84/23/17/926842317.db2.gz VRXJFPVJXPEBMY-INIZCTEOSA-N -1 0 418.434 4.479 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nnn(-c4ccccc4)c3C)n2)cc1 ZINC000517801165 926842352 /nfs/dbraw/zinc/84/23/52/926842352.db2.gz YUYJPEXDNSCECP-GOSISDBHSA-N -1 0 415.478 4.198 20 30 HIEDRM COCCOc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 ZINC000518516718 927321387 /nfs/dbraw/zinc/32/13/87/927321387.db2.gz UXOJQFJUCSUIHZ-IBGZPJMESA-N -1 0 408.479 4.334 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(OCc3cccs3)c2)n1 ZINC000518662434 927414449 /nfs/dbraw/zinc/41/44/49/927414449.db2.gz DGNCDLSWJSZWQQ-INIZCTEOSA-N -1 0 412.492 4.450 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000520286813 928450066 /nfs/dbraw/zinc/45/00/66/928450066.db2.gz YZKPNLVKIWQXFI-UHFFFAOYSA-N -1 0 419.812 4.237 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000521895990 929543455 /nfs/dbraw/zinc/54/34/55/929543455.db2.gz VNCPVFDZAULPDN-UHFFFAOYSA-N -1 0 405.479 4.136 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000524632874 929742128 /nfs/dbraw/zinc/74/21/28/929742128.db2.gz PSHMSKZQAATTIM-UHFFFAOYSA-N -1 0 419.812 4.237 20 30 HIEDRM Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccc(C#N)cc3F)s2)cc1C ZINC000524810250 929839033 /nfs/dbraw/zinc/83/90/33/929839033.db2.gz RUZPVZSCSQXJJU-UHFFFAOYSA-N -1 0 401.488 4.162 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000524852221 929858540 /nfs/dbraw/zinc/85/85/40/929858540.db2.gz MALQHHQBYVQSHC-UHFFFAOYSA-N -1 0 415.858 4.166 20 30 HIEDRM Cc1nc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])sc1SCC#N ZINC000525503913 930289042 /nfs/dbraw/zinc/28/90/42/930289042.db2.gz MFMPHYMBGKCPAC-UHFFFAOYSA-N -1 0 413.528 4.334 20 30 HIEDRM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000532833326 931647674 /nfs/dbraw/zinc/64/76/74/931647674.db2.gz YUZKLUZCGKQNOE-OAHLLOKOSA-N -1 0 409.902 4.344 20 30 HIEDRM C[C@@H](C#N)CN(C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])C1CC1 ZINC000533610173 931922511 /nfs/dbraw/zinc/92/25/11/931922511.db2.gz VIVGUXANXXDOLB-VIFPVBQESA-N -1 0 413.692 4.302 20 30 HIEDRM N#CC(=C([O-])c1cncc(N2CCOCC2)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000534582951 932577866 /nfs/dbraw/zinc/57/78/66/932577866.db2.gz MUAPWICCPZWKMN-SFHVURJKSA-N -1 0 424.913 4.185 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(Br)cc2-n2cncn2)n1 ZINC000534718143 932685467 /nfs/dbraw/zinc/68/54/67/932685467.db2.gz PARPGFFXTIYWJI-ZDUSSCGKSA-N -1 0 416.304 4.100 20 30 HIEDRM COCCOc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nc2ccccc21 ZINC000535385263 933107055 /nfs/dbraw/zinc/10/70/55/933107055.db2.gz YTNWJZYISSCWAS-HNNXBMFYSA-N -1 0 403.463 4.360 20 30 HIEDRM COc1ccc(-n2nc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc2C)cc1 ZINC000537814067 938382997 /nfs/dbraw/zinc/38/29/97/938382997.db2.gz BTQOIRUYXAQLFW-INIZCTEOSA-N -1 0 400.360 4.093 20 30 HIEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC ZINC000776688446 939105480 /nfs/dbraw/zinc/10/54/80/939105480.db2.gz ODOCWGMEFCBQPM-MRSBXDGLSA-N -1 0 419.836 4.008 20 30 HIEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000541306277 939490304 /nfs/dbraw/zinc/49/03/04/939490304.db2.gz KCMVNVGECATFPR-CQSZACIVSA-N -1 0 406.577 4.351 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(CCC(F)(F)F)c3)n2)cc1 ZINC000542287074 939784908 /nfs/dbraw/zinc/78/49/08/939784908.db2.gz NIPUQMFHJNKNDG-OAHLLOKOSA-N -1 0 420.416 4.458 20 30 HIEDRM Cc1cc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)oc2c(Br)c1 ZINC000542518697 939836304 /nfs/dbraw/zinc/83/63/04/939836304.db2.gz RQAKUIFDBTZPAZ-CYBMUJFWSA-N -1 0 413.275 4.312 20 30 HIEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)c1 ZINC000543384513 940047885 /nfs/dbraw/zinc/04/78/85/940047885.db2.gz UHYGWMPSSHZEQS-UHFFFAOYSA-N -1 0 400.482 4.378 20 30 HIEDRM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1F ZINC000543911859 940239880 /nfs/dbraw/zinc/23/98/80/940239880.db2.gz JQTGUPVIJWMVES-UHFFFAOYSA-N -1 0 400.834 4.468 20 30 HIEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000545381147 940567446 /nfs/dbraw/zinc/56/74/46/940567446.db2.gz VLDWZTZZZLUVHG-UHFFFAOYSA-N -1 0 407.623 4.053 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2Cl)ccc1Cl ZINC000551114199 941412745 /nfs/dbraw/zinc/41/27/45/941412745.db2.gz PORGXJSLGNFDPR-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM O=S(=O)(CCC(F)(F)F)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000551213941 941428892 /nfs/dbraw/zinc/42/88/92/941428892.db2.gz DHPFBWZPOMWCAB-SECBINFHSA-N -1 0 403.266 4.181 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-c4nc[nH]n4)cc3)n2)cc1 ZINC000551760456 941540485 /nfs/dbraw/zinc/54/04/85/941540485.db2.gz AWYQFBZOKRLBGQ-KRWDZBQOSA-N -1 0 401.451 4.094 20 30 HIEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc(-c2c(F)cccc2F)cs1 ZINC000555074299 942377153 /nfs/dbraw/zinc/37/71/53/942377153.db2.gz OLVDELOVKFSERY-GFCCVEGCSA-N -1 0 415.421 4.460 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000555139655 942400207 /nfs/dbraw/zinc/40/02/07/942400207.db2.gz HNUUEEPUTVTNBJ-UHFFFAOYSA-N -1 0 419.306 4.268 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000557408461 943109454 /nfs/dbraw/zinc/10/94/54/943109454.db2.gz MGJPIXPLIXEAHT-ZDUSSCGKSA-N -1 0 421.444 4.419 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncnc2scc(-c3ccccc3)c21 ZINC000558630061 943621408 /nfs/dbraw/zinc/62/14/08/943621408.db2.gz NTLYCQGXBUUTST-UHFFFAOYSA-N -1 0 406.492 4.339 20 30 HIEDRM C=CCN(C(=O)Nc1cccc(OC(F)(F)F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000559586983 944013975 /nfs/dbraw/zinc/01/39/75/944013975.db2.gz XKAJVQZQTMXRHI-KRWDZBQOSA-N -1 0 408.376 4.301 20 30 HIEDRM Cc1c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c2ccccc2n1C ZINC000560007863 944127574 /nfs/dbraw/zinc/12/75/74/944127574.db2.gz VARFWIOJPZKJCA-UHFFFAOYSA-N -1 0 423.416 4.100 20 30 HIEDRM N#CC(=C([O-])c1cnc(OCC2CC2)cn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000560217953 944198958 /nfs/dbraw/zinc/19/89/58/944198958.db2.gz QZBFFMVQUVSKFE-GFCCVEGCSA-N -1 0 412.421 4.157 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)nn1C1CCCCC1 ZINC000564557884 945678052 /nfs/dbraw/zinc/67/80/52/945678052.db2.gz GELHKAODEAKRGX-UHFFFAOYSA-N -1 0 412.437 4.388 20 30 HIEDRM C=CCN(C(=O)Nc1ccc2ccn(CCOC)c2c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000564771178 945755554 /nfs/dbraw/zinc/75/55/54/945755554.db2.gz BBBISRHLHGUHNX-JOCHJYFZSA-N -1 0 421.497 4.004 20 30 HIEDRM N#Cc1cc(Oc2ccc(NC(=O)c3nn(-c4ccc(F)cc4)cc3[O-])cc2)ccn1 ZINC000569634009 946908511 /nfs/dbraw/zinc/90/85/11/946908511.db2.gz NVYGFYUVXBGOCF-UHFFFAOYSA-N -1 0 415.384 4.028 20 30 HIEDRM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3F)nc2)cc1Cl ZINC000573179269 948102987 /nfs/dbraw/zinc/10/29/87/948102987.db2.gz ZFLNLBAIWPDPMP-UHFFFAOYSA-N -1 0 417.849 4.222 20 30 HIEDRM C=C(C)CN(CC)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000023242677 846675575 /nfs/dbraw/zinc/67/55/75/846675575.db2.gz NKRPUDCZBRBCGY-UHFFFAOYSA-N -1 0 422.934 4.188 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CN(C)Cc4cccc(C#N)c4)nc(=O)c3s2)cc1 ZINC000026328409 847126018 /nfs/dbraw/zinc/12/60/18/847126018.db2.gz ZKUSXCMAWFKPSL-UHFFFAOYSA-N -1 0 416.506 4.164 20 30 HIEDRM C=CCn1c(COc2ccccc2F)nnc1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436474228 861817773 /nfs/dbraw/zinc/81/77/73/861817773.db2.gz KBUVQCYQTXMXTC-UHFFFAOYSA-N -1 0 416.434 4.088 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(Br)cc3)c2C)n1 ZINC000041516424 848225746 /nfs/dbraw/zinc/22/57/46/848225746.db2.gz MJIPDTVEESMXNU-CQSZACIVSA-N -1 0 401.289 4.198 20 30 HIEDRM C=CCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000436666791 861888162 /nfs/dbraw/zinc/88/81/62/861888162.db2.gz RWALHQLJAWIVNV-UHFFFAOYSA-N -1 0 415.298 4.269 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436675050 861890504 /nfs/dbraw/zinc/89/05/04/861890504.db2.gz XJNBXWVDZWFOMG-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM C=C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000436731047 861917893 /nfs/dbraw/zinc/91/78/93/861917893.db2.gz ZPOXPSOVVHCOFU-CQSZACIVSA-N -1 0 420.918 4.027 20 30 HIEDRM C=CCN(Cc1cccs1)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000044913167 848614045 /nfs/dbraw/zinc/61/40/45/848614045.db2.gz DSXZYSULSCMVEZ-UHFFFAOYSA-N -1 0 418.565 4.439 20 30 HIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000046929368 848962455 /nfs/dbraw/zinc/96/24/55/848962455.db2.gz SAVYRWUMVCXZBN-ZDUSSCGKSA-N -1 0 412.305 4.179 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000048853140 849274513 /nfs/dbraw/zinc/27/45/13/849274513.db2.gz FYNAKFILHVJYKS-SFHVURJKSA-N -1 0 403.507 4.342 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000436869611 862045502 /nfs/dbraw/zinc/04/55/02/862045502.db2.gz MZUOAYVCJYUGGA-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM CC1(C)CCCN(C(=O)c2cc(Br)c([O-])c(Br)c2)[C@H]1C#N ZINC000436910296 862087474 /nfs/dbraw/zinc/08/74/74/862087474.db2.gz PPFTXMWRSYCSGZ-LBPRGKRZSA-N -1 0 416.113 4.072 20 30 HIEDRM COc1ccccc1S(=O)(=O)[N-]c1cccc(COc2ccc(CC#N)cc2)c1 ZINC000055629976 850081506 /nfs/dbraw/zinc/08/15/06/850081506.db2.gz DFJRCWPZQBJIFF-UHFFFAOYSA-N -1 0 408.479 4.141 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000055639981 850087644 /nfs/dbraw/zinc/08/76/44/850087644.db2.gz KHSQGDUWLSXACB-UHFFFAOYSA-N -1 0 400.378 4.069 20 30 HIEDRM CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000063180981 851628315 /nfs/dbraw/zinc/62/83/15/851628315.db2.gz FDPUEHNKEKVAFQ-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(COCCc3ccccc3)c2)cc1C#N ZINC000065220521 852089627 /nfs/dbraw/zinc/08/96/27/852089627.db2.gz TXBGBXCBQPQMRN-UHFFFAOYSA-N -1 0 419.506 4.392 20 30 HIEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1cc(Cl)ccc1Br ZINC000097465390 852613735 /nfs/dbraw/zinc/61/37/35/852613735.db2.gz YSKMGYGGVTYJAL-UHFFFAOYSA-N -1 0 409.088 4.449 20 30 HIEDRM COC(=O)c1ccc(COc2ccc(/C=C\C(=O)c3ccc(O)cc3)cc2OC)o1 ZINC000211366496 853815904 /nfs/dbraw/zinc/81/59/04/853815904.db2.gz SOVSBLILRATSML-KMKOMSMNSA-N -1 0 408.406 4.256 20 30 HIEDRM COc1ccc2cc(C=CC(=O)OCC([O-])=C(C#N)c3nc(C)cs3)ccc2c1 ZINC000213990590 853828119 /nfs/dbraw/zinc/82/81/19/853828119.db2.gz ALFMREDRDGCYMO-LKJUBWIJSA-N -1 0 406.463 4.046 20 30 HIEDRM C[C@H](Sc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000237552801 854053101 /nfs/dbraw/zinc/05/31/01/854053101.db2.gz CQXPZFCOXWGRLK-ZDUSSCGKSA-N -1 0 407.413 4.052 20 30 HIEDRM N#CC(=C([O-])c1ccc(C(N)=O)o1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000437371933 862671688 /nfs/dbraw/zinc/67/16/88/862671688.db2.gz KKTMIERWNUZVBC-JTQLQIEISA-N -1 0 406.250 4.299 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3F)on2)ccc1C(F)(F)F ZINC000410335735 855935217 /nfs/dbraw/zinc/93/52/17/855935217.db2.gz WPYDWCLGPQIUOI-UHFFFAOYSA-N -1 0 411.336 4.172 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n(-c2ccccc2)nc1C(C)(C)C ZINC000427758832 856941932 /nfs/dbraw/zinc/94/19/32/856941932.db2.gz LSICNWWHDRFBSL-UHFFFAOYSA-N -1 0 412.490 4.290 20 30 HIEDRM O=S(=O)([N-]c1ncc(C(F)(F)F)s1)c1cccc(OC(F)(F)F)c1F ZINC000427764168 856944482 /nfs/dbraw/zinc/94/44/82/856944482.db2.gz LDKXWPWUQQXUJS-UHFFFAOYSA-N -1 0 410.292 4.000 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(Cl)c3)s2)cc1F ZINC000427791057 856955441 /nfs/dbraw/zinc/95/54/41/856955441.db2.gz CGTNYEOZCBXRDK-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2cc(C)n(C[C@H]3CCCO3)c2C)cs1 ZINC000427794277 856958189 /nfs/dbraw/zinc/95/81/89/856958189.db2.gz SLXIPFJDCUOJBC-MRXNPFEDSA-N -1 0 409.577 4.115 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)cc1F ZINC000427795501 856959106 /nfs/dbraw/zinc/95/91/06/856959106.db2.gz ZOXLZIUYTPOZKL-UHFFFAOYSA-N -1 0 413.396 4.117 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1Cc1ccc(F)cc1F ZINC000430603671 858233656 /nfs/dbraw/zinc/23/36/56/858233656.db2.gz ZJGRSSBMXWXOBV-AWEZNQCLSA-N -1 0 415.469 4.157 20 30 HIEDRM O=S(=O)([N-]c1ccccc1NCC(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000430987653 858393639 /nfs/dbraw/zinc/39/36/39/858393639.db2.gz LRBGKSYHPLJEQR-UHFFFAOYSA-N -1 0 402.291 4.018 20 30 HIEDRM N#Cc1ccc(CSc2nnc([N-]S(=O)(=O)c3cccc(Cl)c3)s2)cc1 ZINC000431326445 858567045 /nfs/dbraw/zinc/56/70/45/858567045.db2.gz MRCAWOSYBGGETK-UHFFFAOYSA-N -1 0 422.944 4.156 20 30 HIEDRM C=CCOc1cc(OC)ccc1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000431515149 858652003 /nfs/dbraw/zinc/65/20/03/858652003.db2.gz XLDLIJORIJKNBN-UHFFFAOYSA-N -1 0 403.481 4.164 20 30 HIEDRM N#CC(=C([O-])c1ccc(Br)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000432229494 859057908 /nfs/dbraw/zinc/05/79/08/859057908.db2.gz RCNHNOVCPYOJFU-NSHDSACASA-N -1 0 414.137 4.261 20 30 HIEDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1Cl ZINC000435142324 860662585 /nfs/dbraw/zinc/66/25/85/860662585.db2.gz VESBCBJBSMXDFV-UHFFFAOYSA-N -1 0 415.298 4.462 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)cc1C(F)(F)F ZINC000435198985 860692618 /nfs/dbraw/zinc/69/26/18/860692618.db2.gz SPPMWEOGJGKUAQ-UHFFFAOYSA-N -1 0 423.441 4.425 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)s2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000435472464 860810988 /nfs/dbraw/zinc/81/09/88/860810988.db2.gz KXQVHBOCRDZTTP-UHFFFAOYSA-N -1 0 413.311 4.222 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cc(F)ccc4F)nc3c2)s1 ZINC000435498468 860822944 /nfs/dbraw/zinc/82/29/44/860822944.db2.gz XESOHBLKTSVBCE-UHFFFAOYSA-N -1 0 416.434 4.242 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)s1 ZINC000435503415 860825426 /nfs/dbraw/zinc/82/54/26/860825426.db2.gz VHUYKAGSSHEKPW-RUZDIDTESA-N -1 0 408.570 4.002 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000438753321 864245505 /nfs/dbraw/zinc/24/55/05/864245505.db2.gz IJOOEWQHGJNJHM-UHFFFAOYSA-N -1 0 408.405 4.071 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000438755429 864247932 /nfs/dbraw/zinc/24/79/32/864247932.db2.gz GAWHIQNORUBRQA-UHFFFAOYSA-N -1 0 412.284 4.083 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000439878537 865189688 /nfs/dbraw/zinc/18/96/88/865189688.db2.gz CFXRXNKWEAUILW-UHFFFAOYSA-N -1 0 401.875 4.372 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1C#N ZINC000439948051 865242553 /nfs/dbraw/zinc/24/25/53/865242553.db2.gz GJVVWRYQFRQVLA-LBPRGKRZSA-N -1 0 401.797 4.068 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cc1C#N ZINC000440187919 865414536 /nfs/dbraw/zinc/41/45/36/865414536.db2.gz FRMNYSVUCSQNFK-UHFFFAOYSA-N -1 0 421.444 4.251 20 30 HIEDRM CCc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C(=O)[O-] ZINC000440807058 865926013 /nfs/dbraw/zinc/92/60/13/865926013.db2.gz MWIKTBPXHVRJII-UHFFFAOYSA-N -1 0 422.462 4.412 20 30 HIEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1Cl ZINC000440830372 865944897 /nfs/dbraw/zinc/94/48/97/865944897.db2.gz XWUUSGNGONIJDD-LBPRGKRZSA-N -1 0 424.931 4.322 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)cc1[O-] ZINC000442730685 867652729 /nfs/dbraw/zinc/65/27/29/867652729.db2.gz RALQSLFAKKDXKS-UHFFFAOYSA-N -1 0 423.831 4.239 20 30 HIEDRM CC(C)C(=O)N(C)Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000442861854 867702621 /nfs/dbraw/zinc/70/26/21/867702621.db2.gz YYBCGYASQIVCEJ-IBGZPJMESA-N -1 0 418.522 4.310 20 30 HIEDRM COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c(OC)cc1Cl ZINC000443400772 867959440 /nfs/dbraw/zinc/95/94/40/867959440.db2.gz AKMCAKIWIRPYBK-UHFFFAOYSA-N -1 0 420.796 4.048 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cnn1-c1ccccc1 ZINC000443409894 867992373 /nfs/dbraw/zinc/99/23/73/867992373.db2.gz PFGPHYQUUAPSIQ-UHFFFAOYSA-N -1 0 420.416 4.126 20 30 HIEDRM Cc1cc2c(o1)c(C([O-])=C(C#N)c1nnc3n1CCCCC3)ccc2Br ZINC000443520253 868080246 /nfs/dbraw/zinc/08/02/46/868080246.db2.gz KBVNTQDQSKHJRI-CQSZACIVSA-N -1 0 413.275 4.312 20 30 HIEDRM COc1c(F)ccc(F)c1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000445677049 869746360 /nfs/dbraw/zinc/74/63/60/869746360.db2.gz UYBIHPRSCUWPBG-UHFFFAOYSA-N -1 0 418.450 4.241 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cnn1-c1cccc(C)c1 ZINC000446622422 870524908 /nfs/dbraw/zinc/52/49/08/870524908.db2.gz DFVIAAJDWPICKZ-UHFFFAOYSA-N -1 0 416.453 4.084 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000446760489 870675330 /nfs/dbraw/zinc/67/53/30/870675330.db2.gz UDXCJOKWUTXARL-UHFFFAOYSA-N -1 0 403.660 4.055 20 30 HIEDRM CCN(C(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)ccc1Cl)C(C)C ZINC000447267129 871151740 /nfs/dbraw/zinc/15/17/40/871151740.db2.gz ZLKBKQZBUOYZHS-UHFFFAOYSA-N -1 0 419.934 4.191 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)ccc1Cl ZINC000447276190 871168233 /nfs/dbraw/zinc/16/82/33/871168233.db2.gz YNHBQGDCQQFZGP-UHFFFAOYSA-N -1 0 421.812 4.478 20 30 HIEDRM CCOc1ccc([C@H]2CCCN2C(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1 ZINC000447793317 871730030 /nfs/dbraw/zinc/73/00/30/871730030.db2.gz FIVKOYOPOMZSJU-HXUWFJFHSA-N -1 0 424.545 4.105 20 30 HIEDRM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000468541514 882579759 /nfs/dbraw/zinc/57/97/59/882579759.db2.gz LITCLDASCNDFOC-LLVKDONJSA-N -1 0 415.298 4.080 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1noc(-c2ccccc2)c1Br ZINC000448538310 872537880 /nfs/dbraw/zinc/53/78/80/872537880.db2.gz ONZJZKPZIVPOIM-UHFFFAOYSA-N -1 0 418.272 4.085 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000468611477 882720114 /nfs/dbraw/zinc/72/01/14/882720114.db2.gz VTFXHYQAJGZEIN-UHFFFAOYSA-N -1 0 424.460 4.475 20 30 HIEDRM CCc1ncc(S(=O)(=O)[N-]c2cccc(COc3ccc(CC#N)cc3)c2)s1 ZINC000460785362 873644820 /nfs/dbraw/zinc/64/48/20/873644820.db2.gz WUVCJVSQZUSZPS-UHFFFAOYSA-N -1 0 413.524 4.151 20 30 HIEDRM N#CCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000461778942 874903536 /nfs/dbraw/zinc/90/35/36/874903536.db2.gz UDINFTUDOPMNTJ-UHFFFAOYSA-N -1 0 412.298 4.427 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(C(C)(C)C)sc2c1 ZINC000463782337 876902017 /nfs/dbraw/zinc/90/20/17/876902017.db2.gz OSCHTNLFGPEZEP-UHFFFAOYSA-N -1 0 401.513 4.275 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc2cccnc21 ZINC000464419518 877628194 /nfs/dbraw/zinc/62/81/94/877628194.db2.gz NCRNIOZBHVCVLR-OAHLLOKOSA-N -1 0 422.370 4.028 20 30 HIEDRM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000464419747 877628371 /nfs/dbraw/zinc/62/83/71/877628371.db2.gz FLHMJXBTVRFYQO-AWEZNQCLSA-N -1 0 400.360 4.093 20 30 HIEDRM C=C(C)C[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000464570519 877791110 /nfs/dbraw/zinc/79/11/10/877791110.db2.gz OSVSYYCHFJQGTC-INIZCTEOSA-N -1 0 402.516 4.345 20 30 HIEDRM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000503402805 912383060 /nfs/dbraw/zinc/38/30/60/912383060.db2.gz USCNDLFPXMDCPJ-LJQANCHMSA-N -1 0 414.490 4.310 20 30 HIEDRM Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cn2)c(C)c1 ZINC000466410556 880177170 /nfs/dbraw/zinc/17/71/70/880177170.db2.gz RXWBZDBAIQPGJI-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cnn1-c1ccccc1 ZINC000466477760 880260191 /nfs/dbraw/zinc/26/01/91/880260191.db2.gz QUVLREBSHMEJOW-UHFFFAOYSA-N -1 0 420.416 4.126 20 30 HIEDRM N#CC(=C([O-])c1cnc(-c2ccc3c(c2)OCO3)s1)c1ccc(C(F)(F)F)cn1 ZINC000503551690 912619603 /nfs/dbraw/zinc/61/96/03/912619603.db2.gz RFUJOSKQSIYBMV-LBPRGKRZSA-N -1 0 417.368 4.443 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)n1 ZINC000503566154 912644919 /nfs/dbraw/zinc/64/49/19/912644919.db2.gz DNZOUVICJKSNFF-OAHLLOKOSA-N -1 0 408.483 4.083 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000469132991 883227745 /nfs/dbraw/zinc/22/77/45/883227745.db2.gz ZRUILPWUAYDYDN-UHFFFAOYSA-N -1 0 400.287 4.106 20 30 HIEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(Oc4ccc(C#N)cc4)c3)cc2=O)cc1 ZINC000469191472 883290653 /nfs/dbraw/zinc/29/06/53/883290653.db2.gz VODRSUJUPOOABL-UHFFFAOYSA-N -1 0 410.433 4.390 20 30 HIEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469659150 883854133 /nfs/dbraw/zinc/85/41/33/883854133.db2.gz RJZRUHMOHYDQKP-UHFFFAOYSA-N -1 0 403.394 4.312 20 30 HIEDRM CC(C)(C)c1nnc2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cn21 ZINC000469693411 883873948 /nfs/dbraw/zinc/87/39/48/883873948.db2.gz BZHIDXVFUPJDGI-OAHLLOKOSA-N -1 0 402.483 4.035 20 30 HIEDRM COc1ccsc1S(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000471107644 885642627 /nfs/dbraw/zinc/64/26/27/885642627.db2.gz ISHQCKJWBVZCLW-UHFFFAOYSA-N -1 0 400.481 4.008 20 30 HIEDRM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000471135674 885675244 /nfs/dbraw/zinc/67/52/44/885675244.db2.gz FHSAOOWJYNBEFN-ZDUSSCGKSA-N -1 0 405.501 4.466 20 30 HIEDRM CC[C@H](c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1)c1ccccc1 ZINC000471515363 886217930 /nfs/dbraw/zinc/21/79/30/886217930.db2.gz JNKRHMWPNFKCKO-ZDUSSCGKSA-N -1 0 418.931 4.406 20 30 HIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471601494 886315856 /nfs/dbraw/zinc/31/58/56/886315856.db2.gz JJGBFYAGOGJNAT-UHFFFAOYSA-N -1 0 403.660 4.223 20 30 HIEDRM Cc1sc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1CS(C)(=O)=O ZINC000472375634 887216169 /nfs/dbraw/zinc/21/61/69/887216169.db2.gz MTXBVVQTUJPBLV-LBPRGKRZSA-N -1 0 424.956 4.354 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s[n-]1 ZINC000473830140 888663298 /nfs/dbraw/zinc/66/32/98/888663298.db2.gz QHALOANSVMTQSP-JKSUJKDBSA-N -1 0 409.540 4.301 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c([N+](=O)[O-])cc1OC(F)F ZINC000474439214 889302836 /nfs/dbraw/zinc/30/28/36/889302836.db2.gz TXKPRFTUYJLXBH-SNVBAGLBSA-N -1 0 411.386 4.275 20 30 HIEDRM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1cnccc1C(F)(F)F ZINC000475795464 890733052 /nfs/dbraw/zinc/73/30/52/890733052.db2.gz VYPQCWNPJBLSQK-UHFFFAOYSA-N -1 0 417.306 4.015 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nc(C2CC2)no1 ZINC000475821292 890754809 /nfs/dbraw/zinc/75/48/09/890754809.db2.gz PEWGUADUMXSIGH-UHFFFAOYSA-N -1 0 414.874 4.134 20 30 HIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000476285129 891202804 /nfs/dbraw/zinc/20/28/04/891202804.db2.gz DANOLBDAIHLOAB-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)ncn2)ccc1Cl ZINC000476423655 891334953 /nfs/dbraw/zinc/33/49/53/891334953.db2.gz NZTDHLLULAQADU-UHFFFAOYSA-N -1 0 405.266 4.123 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)c(Cl)c1 ZINC000479565771 894862081 /nfs/dbraw/zinc/86/20/81/894862081.db2.gz AZYYZHJCGVTHLV-UHFFFAOYSA-N -1 0 409.801 4.162 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cnn1-c1ccccc1Cl ZINC000480226781 895630952 /nfs/dbraw/zinc/63/09/52/895630952.db2.gz PCTQKIHSRZKBPJ-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1-c1cccc(C#N)c1 ZINC000505428928 914094284 /nfs/dbraw/zinc/09/42/84/914094284.db2.gz OUZHXYIUPQMUQA-INIZCTEOSA-N -1 0 416.391 4.287 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ncccc2Cl)c1C(F)F)c1cnc2ccccc2n1 ZINC000483191059 898849294 /nfs/dbraw/zinc/84/92/94/898849294.db2.gz AGICGJBNJXZFJI-LLVKDONJSA-N -1 0 424.798 4.292 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc(Br)cc2)c1)c1cnc2ccccc2n1 ZINC000483199471 898854444 /nfs/dbraw/zinc/85/44/44/898854444.db2.gz JLMKACQGSYJAGN-MRXNPFEDSA-N -1 0 418.254 4.068 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ccc3c(c2)OCCO3)n1)c1cnc2ccccc2n1 ZINC000483230205 898873397 /nfs/dbraw/zinc/87/33/97/898873397.db2.gz CAGFOVMHQIOJEC-CQSZACIVSA-N -1 0 414.446 4.015 20 30 HIEDRM Cc1nc(COc2ccccc2C([O-])=C(C#N)c2cnc3ccccc3n2)cs1 ZINC000483247545 898889611 /nfs/dbraw/zinc/88/96/11/898889611.db2.gz XODIXSNDWQJAFS-KRWDZBQOSA-N -1 0 400.463 4.464 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2ccc3cc(I)ccc3n2)n1 ZINC000483428619 899059004 /nfs/dbraw/zinc/05/90/04/899059004.db2.gz DDDLDQYVAWYQRB-LBPRGKRZSA-N -1 0 419.247 4.094 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n[nH]2)cc1 ZINC000483437653 899071905 /nfs/dbraw/zinc/07/19/05/899071905.db2.gz LLQZGLHDLBBIDR-CQSZACIVSA-N -1 0 407.380 4.320 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)onc2-c2cccc(Cl)c2)n1 ZINC000483521603 899183481 /nfs/dbraw/zinc/18/34/81/899183481.db2.gz CJXXVKYSYRDCOW-ZDUSSCGKSA-N -1 0 415.858 4.427 20 30 HIEDRM COc1c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cccc1[N+](=O)[O-] ZINC000483525946 899187048 /nfs/dbraw/zinc/18/70/48/899187048.db2.gz QNYCQKWESRNIBJ-NSHDSACASA-N -1 0 415.377 4.495 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000485437269 900733869 /nfs/dbraw/zinc/73/38/69/900733869.db2.gz JAUMOGRIJCCMIC-UHFFFAOYSA-N -1 0 419.222 4.281 20 30 HIEDRM CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1cc(F)cc(Br)c1 ZINC000485672280 900922989 /nfs/dbraw/zinc/92/29/89/900922989.db2.gz VFEKUOZOSYBBPX-CQSZACIVSA-N -1 0 424.295 4.163 20 30 HIEDRM N#CCc1cccc(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)c1 ZINC000485762873 901019571 /nfs/dbraw/zinc/01/95/71/901019571.db2.gz RXWXFIVBONCORU-UHFFFAOYSA-N -1 0 415.471 4.006 20 30 HIEDRM C=CCOc1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)cc1OC ZINC000486408279 901568964 /nfs/dbraw/zinc/56/89/64/901568964.db2.gz VQEXLZUWSSRWSC-UHFFFAOYSA-N -1 0 403.481 4.164 20 30 HIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000488236434 902712402 /nfs/dbraw/zinc/71/24/02/902712402.db2.gz QEMOMWYBKGAMMQ-UHFFFAOYSA-N -1 0 406.891 4.200 20 30 HIEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)cc1 ZINC000488295980 902757441 /nfs/dbraw/zinc/75/74/41/902757441.db2.gz MKWWNSSQESDQSE-GOSISDBHSA-N -1 0 420.918 4.155 20 30 HIEDRM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1C ZINC000489772370 903592716 /nfs/dbraw/zinc/59/27/16/903592716.db2.gz QYDNYBLQLGSKSN-GFCCVEGCSA-N -1 0 421.544 4.003 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)ccc1Cl ZINC000491593706 904666400 /nfs/dbraw/zinc/66/64/00/904666400.db2.gz ISEZYEYZAUWYGI-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@@H](c2cccc3ccccc32)C(F)(F)F)c1 ZINC000512440176 921163299 /nfs/dbraw/zinc/16/32/99/921163299.db2.gz BNEAFOKVMDETCZ-IBGZPJMESA-N -1 0 404.413 4.434 20 30 HIEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc4ccccc4s3)cn2)cc1OC ZINC000494878940 906058160 /nfs/dbraw/zinc/05/81/60/906058160.db2.gz QARFVKCDRBIRAG-MRXNPFEDSA-N -1 0 418.478 4.048 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc([N+](=O)[O-])cc3OC)n2)cc1 ZINC000495185783 906296250 /nfs/dbraw/zinc/29/62/50/906296250.db2.gz APSHUSSMKQEANS-MRXNPFEDSA-N -1 0 409.423 4.226 20 30 HIEDRM C=CCOc1ccccc1CNc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000512662909 921279785 /nfs/dbraw/zinc/27/97/85/921279785.db2.gz CMJFBHGOTITVLC-UHFFFAOYSA-N -1 0 401.513 4.121 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cnn1C1CCOCC1 ZINC000500451476 909868693 /nfs/dbraw/zinc/86/86/93/909868693.db2.gz MXUITKDMTPOWEZ-CQSZACIVSA-N -1 0 400.891 4.296 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2nnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)n1 ZINC000501299660 910453892 /nfs/dbraw/zinc/45/38/92/910453892.db2.gz JZDPRLYRBWWTPE-AWEZNQCLSA-N -1 0 417.416 4.419 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000501860549 910890738 /nfs/dbraw/zinc/89/07/38/910890738.db2.gz CIISQDJUOFDVRF-MNOVXSKESA-N -1 0 409.433 4.322 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000502771550 911795132 /nfs/dbraw/zinc/79/51/32/911795132.db2.gz BYFRAAODGWFKOQ-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000506784240 915509111 /nfs/dbraw/zinc/50/91/11/915509111.db2.gz ZYHVPMJSSUTCOE-INIZCTEOSA-N -1 0 417.687 4.008 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000513418745 921786410 /nfs/dbraw/zinc/78/64/10/921786410.db2.gz CGPVCLKGVHHNRY-QGZVFWFLSA-N -1 0 419.506 4.159 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1OC(F)F ZINC000513433766 921802271 /nfs/dbraw/zinc/80/22/71/921802271.db2.gz YVWDVSYYGAXLDJ-UHFFFAOYSA-N -1 0 406.332 4.288 20 30 HIEDRM C=CCOc1ccc(C(=O)N[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cc1OC ZINC000507318855 916080862 /nfs/dbraw/zinc/08/08/62/916080862.db2.gz MZNWSGTVJFOIHB-OAQYLSRUSA-N -1 0 403.862 4.033 20 30 HIEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)c1 ZINC000507924002 916801807 /nfs/dbraw/zinc/80/18/07/916801807.db2.gz ZPKLEVUYVGJDQP-UHFFFAOYSA-N -1 0 424.478 4.306 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cscc1C#N ZINC000509033201 917789153 /nfs/dbraw/zinc/78/91/53/917789153.db2.gz PFOSTMCEGOXYMJ-UHFFFAOYSA-N -1 0 415.471 4.120 20 30 HIEDRM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2F)n1 ZINC000509385269 918050544 /nfs/dbraw/zinc/05/05/44/918050544.db2.gz HTCLQRHWXGNOAM-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2ncccc2F)n1)c1nc(-c2ccncc2)cs1 ZINC000509869300 918470232 /nfs/dbraw/zinc/47/02/32/918470232.db2.gz YLCSKGYQIHXRQQ-LBPRGKRZSA-N -1 0 407.455 4.353 20 30 HIEDRM Cc1nnc2ccc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cn12 ZINC000509878655 918480312 /nfs/dbraw/zinc/48/03/12/918480312.db2.gz OEUDRSUOTRZXTM-NGOBRMJYSA-N -1 0 417.538 4.452 20 30 HIEDRM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccccc1)c1c(F)c(F)cc(F)c1F ZINC000510003474 918586314 /nfs/dbraw/zinc/58/63/14/918586314.db2.gz BSQAIEJGNPSUPF-NSHDSACASA-N -1 0 401.303 4.215 20 30 HIEDRM CO[C@@H](C)c1nc(=NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)s[n-]1 ZINC000511084863 919686925 /nfs/dbraw/zinc/68/69/25/919686925.db2.gz GYSKRQWYUHNNJK-NSHDSACASA-N -1 0 414.874 4.237 20 30 HIEDRM CO[C@H](C)c1nc(=NC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)s[n-]1 ZINC000511143688 919764207 /nfs/dbraw/zinc/76/42/07/919764207.db2.gz ZUDDODKTZMCZSL-LLVKDONJSA-N -1 0 414.874 4.237 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(=O)N(C)C)nc3C)n2)cc1 ZINC000511754864 920434818 /nfs/dbraw/zinc/43/48/18/920434818.db2.gz JWBRWNSDQANQNZ-KRWDZBQOSA-N -1 0 404.495 4.014 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(NC(=O)C4CC4)c3)n2)cc1 ZINC000513612396 921942402 /nfs/dbraw/zinc/94/24/02/921942402.db2.gz ZBISFFZAUDZBRM-QGZVFWFLSA-N -1 0 402.479 4.352 20 30 HIEDRM N#CC(=C([O-])c1cc(C(N)=O)cs1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000516269976 923637518 /nfs/dbraw/zinc/63/75/18/923637518.db2.gz HZQHAIJHSPNXDJ-FMTZPWTASA-N -1 0 411.552 4.261 20 30 HIEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000519202836 927825396 /nfs/dbraw/zinc/82/53/96/927825396.db2.gz QMVVDROTOXOFIF-UHFFFAOYSA-N -1 0 424.438 4.017 20 30 HIEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)cc1 ZINC000519992982 928221034 /nfs/dbraw/zinc/22/10/34/928221034.db2.gz FOBGQQHKSRYVBY-UHFFFAOYSA-N -1 0 416.462 4.337 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1cccc2ncccc21 ZINC000520199621 928384256 /nfs/dbraw/zinc/38/42/56/928384256.db2.gz BWYCRRPSGUPNAW-HNNXBMFYSA-N -1 0 422.370 4.028 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1C#N ZINC000520691625 928738305 /nfs/dbraw/zinc/73/83/05/928738305.db2.gz XKYIPEAYSNSSNU-UHFFFAOYSA-N -1 0 419.441 4.315 20 30 HIEDRM CCOc1ccccc1[C@H](CC)NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000533911610 932095497 /nfs/dbraw/zinc/09/54/97/932095497.db2.gz DEJODNDNNMJXJD-SFHVURJKSA-N -1 0 412.534 4.009 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000538623046 938664257 /nfs/dbraw/zinc/66/42/57/938664257.db2.gz DUSFMWMOFIJYKD-ZBFHGGJFSA-N -1 0 421.444 4.466 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc3cccc(Br)c3n2)ccc1Cl ZINC000540654167 939331798 /nfs/dbraw/zinc/33/17/98/939331798.db2.gz FXAGFFRVFZKNDL-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000541123967 939469283 /nfs/dbraw/zinc/46/92/83/939469283.db2.gz MSNCFFKRPAWDRF-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000542234251 939768252 /nfs/dbraw/zinc/76/82/52/939768252.db2.gz UCTAVQZCYVVULE-UHFFFAOYSA-N -1 0 417.487 4.428 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000543163708 939982274 /nfs/dbraw/zinc/98/22/74/939982274.db2.gz DSRXTTCTHRKDJS-UHFFFAOYSA-N -1 0 416.886 4.191 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000543165065 939983060 /nfs/dbraw/zinc/98/30/60/939983060.db2.gz MVUCSPDFHJALAV-UHFFFAOYSA-N -1 0 408.479 4.051 20 30 HIEDRM CC(C)(C)c1[n-]n(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c(=O)c1CCC#N ZINC000543852086 940208858 /nfs/dbraw/zinc/20/88/58/940208858.db2.gz IRGJYGLKLAUKQB-UHFFFAOYSA-N -1 0 419.316 4.278 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543865094 940216185 /nfs/dbraw/zinc/21/61/85/940216185.db2.gz RMBXODOJHOKPFZ-NSHDSACASA-N -1 0 401.435 4.295 20 30 HIEDRM N#CC(=C([O-])c1cc2cc(Br)cc(Br)c2o1)c1ccncn1 ZINC000544814892 940516828 /nfs/dbraw/zinc/51/68/28/940516828.db2.gz NSWRVJRUSKQSSK-SNVBAGLBSA-N -1 0 421.048 4.238 20 30 HIEDRM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C([O-])=C(C#N)c1ccncn1 ZINC000546152444 940715036 /nfs/dbraw/zinc/71/50/36/940715036.db2.gz ZNPWIVHCONDUCX-CYBMUJFWSA-N -1 0 414.849 4.381 20 30 HIEDRM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C(F)(F)F)c1 ZINC000546566227 940855120 /nfs/dbraw/zinc/85/51/20/940855120.db2.gz HVAYBSBREJJHSE-UHFFFAOYSA-N -1 0 403.813 4.097 20 30 HIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3ccncn3)c3cnn(C(C)C)c3n2)s1 ZINC000546858745 940896896 /nfs/dbraw/zinc/89/68/96/940896896.db2.gz GFJWZIYJJTZQMT-OAHLLOKOSA-N -1 0 402.483 4.329 20 30 HIEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)c1 ZINC000564060990 945366393 /nfs/dbraw/zinc/36/63/93/945366393.db2.gz DIRYHEYJGQRFRM-UHFFFAOYSA-N -1 0 424.906 4.063 20 30 HIEDRM O=C(NCC(F)(F)C(F)F)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000549238889 941173302 /nfs/dbraw/zinc/17/33/02/941173302.db2.gz YUTRTTNWFXDINJ-QMMMGPOBSA-N -1 0 416.215 4.388 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000551468197 941485874 /nfs/dbraw/zinc/48/58/74/941485874.db2.gz XSRQQHKGECXJRP-UHFFFAOYSA-N -1 0 408.907 4.161 20 30 HIEDRM CCOc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000555077691 942379568 /nfs/dbraw/zinc/37/95/68/942379568.db2.gz DGGQVPLEMVXTLU-CYBMUJFWSA-N -1 0 400.341 4.228 20 30 HIEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2SCC(F)F)c1 ZINC000555124268 942392003 /nfs/dbraw/zinc/39/20/03/942392003.db2.gz UFJMQCYJAJJLCN-UHFFFAOYSA-N -1 0 423.388 4.130 20 30 HIEDRM C=C(C)Cn1c(-c2ccc(C)s2)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000555237551 942440395 /nfs/dbraw/zinc/44/03/95/942440395.db2.gz DQXUKOYKFCHTIX-UHFFFAOYSA-N -1 0 412.544 4.238 20 30 HIEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)s2)cc1OC ZINC000556067574 942800963 /nfs/dbraw/zinc/80/09/63/942800963.db2.gz SZHHCMAAUCWUOT-CYBMUJFWSA-N -1 0 405.435 4.459 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2C)n(-c2ccccc2)nc1C(C)(C)C ZINC000557891376 943322274 /nfs/dbraw/zinc/32/22/74/943322274.db2.gz JUWYWWACBVJHHH-UHFFFAOYSA-N -1 0 408.527 4.459 20 30 HIEDRM N#CCc1ccnc([N-]S(=O)(=O)c2cc(Br)c(Cl)cc2Cl)c1 ZINC000559195501 943868705 /nfs/dbraw/zinc/86/87/05/943868705.db2.gz WMOJJKANQBLGIA-UHFFFAOYSA-N -1 0 421.103 4.018 20 30 HIEDRM C=CCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000561178970 944500802 /nfs/dbraw/zinc/50/08/02/944500802.db2.gz XRIBEDKOGBGFSU-AWEZNQCLSA-N -1 0 408.907 4.061 20 30 HIEDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)s1 ZINC000570469044 947256119 /nfs/dbraw/zinc/25/61/19/947256119.db2.gz UTDODJPPSSOWCS-UHFFFAOYSA-N -1 0 414.350 4.085 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000436012289 861303127 /nfs/dbraw/zinc/30/31/27/861303127.db2.gz UVCQJGSKSXUCHC-UHFFFAOYSA-N -1 0 402.541 4.024 20 30 HIEDRM O=C([O-])C(=O)/C(=C\c1cc(Cl)c2c(c1)OCCCO2)c1ccc2ccccc2n1 ZINC000007367117 845317037 /nfs/dbraw/zinc/31/70/37/845317037.db2.gz SWFDITRZPMJPAL-GDNBJRDFSA-N -1 0 409.825 4.244 20 30 HIEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)cc1 ZINC000011295752 845776723 /nfs/dbraw/zinc/77/67/23/845776723.db2.gz IJQWJGVSEIZQNB-IZZDOVSWSA-N -1 0 421.371 4.327 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C#N ZINC000027605855 847326973 /nfs/dbraw/zinc/32/69/73/847326973.db2.gz VIFBOSPDFYQQBQ-UHFFFAOYSA-N -1 0 410.524 4.010 20 30 HIEDRM O=C([N-]S(=O)(=O)c1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000028394477 847415770 /nfs/dbraw/zinc/41/57/70/847415770.db2.gz NTPDQTIWAODSAB-UHFFFAOYSA-N -1 0 409.088 4.449 20 30 HIEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccccc1CC(F)(F)F ZINC000436476641 861818905 /nfs/dbraw/zinc/81/89/05/861818905.db2.gz JTVWDXSURCJFII-UHFFFAOYSA-N -1 0 419.222 4.226 20 30 HIEDRM C=CCn1c(SCc2cc([O-])ccc2[N+](=O)[O-])nc2sc(C)c(C)c2c1=O ZINC000436475688 861819317 /nfs/dbraw/zinc/81/93/17/861819317.db2.gz PARXUFFPSWZWPO-UHFFFAOYSA-N -1 0 403.485 4.167 20 30 HIEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000041534215 848227447 /nfs/dbraw/zinc/22/74/47/848227447.db2.gz CNNLZCBFDRQKOX-KRWDZBQOSA-N -1 0 400.463 4.494 20 30 HIEDRM N#Cc1ccc(CN2CCCN(C(=O)c3cc(Cl)c4ccccc4c3[O-])CC2)cc1 ZINC000436754242 861937234 /nfs/dbraw/zinc/93/72/34/861937234.db2.gz HRJMNWDWCULPFD-UHFFFAOYSA-N -1 0 419.912 4.419 20 30 HIEDRM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000436754392 861939312 /nfs/dbraw/zinc/93/93/12/861939312.db2.gz IMLPRIMVBUBJOD-NRFANRHFSA-N -1 0 405.885 4.221 20 30 HIEDRM N#CC(=C([O-])c1occc1CS(=O)(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000048855448 849274599 /nfs/dbraw/zinc/27/45/99/849274599.db2.gz FPGVZNWCYDZWEI-LJQANCHMSA-N -1 0 416.458 4.292 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2ccc(F)cc2)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393076 849309358 /nfs/dbraw/zinc/30/93/58/849309358.db2.gz NQFSZFSVIZXJIR-MRXNPFEDSA-N -1 0 414.400 4.087 20 30 HIEDRM CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000051655579 849498682 /nfs/dbraw/zinc/49/86/82/849498682.db2.gz KOBJWVHTCAXCMX-LBPRGKRZSA-N -1 0 400.341 4.228 20 30 HIEDRM O=C(CCCOCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000051897288 849526827 /nfs/dbraw/zinc/52/68/27/849526827.db2.gz WDQBYOUMPJYQPI-UHFFFAOYSA-N -1 0 401.406 4.348 20 30 HIEDRM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c2)n1 ZINC000055585778 850064529 /nfs/dbraw/zinc/06/45/29/850064529.db2.gz DTRVSHGTQYGBCK-UHFFFAOYSA-N -1 0 418.400 4.143 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000055588330 850066045 /nfs/dbraw/zinc/06/60/45/850066045.db2.gz AUCGJBYQHPFYDK-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000055588329 850066146 /nfs/dbraw/zinc/06/61/46/850066146.db2.gz PLCKCQFMLCFSID-UHFFFAOYSA-N -1 0 419.384 4.272 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000055639959 850086983 /nfs/dbraw/zinc/08/69/83/850086983.db2.gz DTHVLPYAZIYANB-UHFFFAOYSA-N -1 0 413.268 4.072 20 30 HIEDRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCCOc2cc(C)ccc2C)cc1 ZINC000063234176 851637294 /nfs/dbraw/zinc/63/72/94/851637294.db2.gz OFIPEWGNPYRLGU-UHFFFAOYSA-N -1 0 403.500 4.401 20 30 HIEDRM Cc1nn(C)c2nc(C)cc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)c12 ZINC000064714854 851964720 /nfs/dbraw/zinc/96/47/20/851964720.db2.gz KTYBVOUJARXGAA-ZDUSSCGKSA-N -1 0 423.448 4.477 20 30 HIEDRM COCCn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000195662812 853744199 /nfs/dbraw/zinc/74/41/99/853744199.db2.gz JFQOHRBZNPFXAJ-KRWDZBQOSA-N -1 0 402.479 4.296 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)CSCc3cccnc3)c2)c1 ZINC000238199978 854152386 /nfs/dbraw/zinc/15/23/86/854152386.db2.gz LWWABSBGONXMGX-UHFFFAOYSA-N -1 0 402.475 4.052 20 30 HIEDRM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1)c1ccc(C#N)cc1 ZINC000301495986 854408012 /nfs/dbraw/zinc/40/80/12/854408012.db2.gz BTMIFIMFYNNFGA-ZDUSSCGKSA-N -1 0 414.437 4.205 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000320000920 855386900 /nfs/dbraw/zinc/38/69/00/855386900.db2.gz ZJWYYVPDVQIVLM-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000322698684 855393356 /nfs/dbraw/zinc/39/33/56/855393356.db2.gz MNUQAHYUDDRGOV-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000391253676 855459016 /nfs/dbraw/zinc/45/90/16/855459016.db2.gz AVRKTGRSTIPORM-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1nc(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)ccc1C(F)(F)F ZINC000409713072 855615903 /nfs/dbraw/zinc/61/59/03/855615903.db2.gz CFQGQCGSNKSSAW-UHFFFAOYSA-N -1 0 424.810 4.186 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)ccc1C(F)(F)F ZINC000410326221 855930119 /nfs/dbraw/zinc/93/01/19/855930119.db2.gz MUWKRLDPOMTOOC-UHFFFAOYSA-N -1 0 423.441 4.425 20 30 HIEDRM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1C ZINC000426184466 856162317 /nfs/dbraw/zinc/16/23/17/856162317.db2.gz UVOUYRBOTUCLHY-NSHDSACASA-N -1 0 415.421 4.310 20 30 HIEDRM Cc1ccc(NC(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427098559 856634094 /nfs/dbraw/zinc/63/40/94/856634094.db2.gz BLFUMFUKCQENSH-UHFFFAOYSA-N -1 0 421.482 4.015 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427134984 856661353 /nfs/dbraw/zinc/66/13/53/856661353.db2.gz GPXCSYPJZSDCSH-UHFFFAOYSA-N -1 0 418.368 4.208 20 30 HIEDRM COCCc1ccc(Oc2ccc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)cc2)cc1 ZINC000427212963 856715749 /nfs/dbraw/zinc/71/57/49/856715749.db2.gz SESCBEMWGWPVLY-UHFFFAOYSA-N -1 0 423.494 4.044 20 30 HIEDRM Cc1cc(Br)c2ccccc2c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427245139 856732612 /nfs/dbraw/zinc/73/26/12/856732612.db2.gz FWZAVTUNKCAOPW-UHFFFAOYSA-N -1 0 416.300 4.287 20 30 HIEDRM C=CC[C@H](C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccccc1 ZINC000427260039 856741699 /nfs/dbraw/zinc/74/16/99/856741699.db2.gz ZPDUXKTUMFOBLK-SFHVURJKSA-N -1 0 413.524 4.242 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cnn1-c1ccc(Cl)cc1 ZINC000427333171 856777014 /nfs/dbraw/zinc/77/70/14/856777014.db2.gz ZOJHIXGXEPWITI-UHFFFAOYSA-N -1 0 418.881 4.461 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)c2cnn(CCC#N)c2-c2ccccc2)s[n-]1 ZINC000429088654 857504502 /nfs/dbraw/zinc/50/45/02/857504502.db2.gz BNKOAMREKQNXPI-UHFFFAOYSA-N -1 0 420.523 4.026 20 30 HIEDRM CCSc1nccnc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000430524725 858207117 /nfs/dbraw/zinc/20/71/17/858207117.db2.gz MQYMCAQODADVCJ-SNVBAGLBSA-N -1 0 402.451 4.480 20 30 HIEDRM CCOc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000430612545 858236201 /nfs/dbraw/zinc/23/62/01/858236201.db2.gz RRBQUYGWXTWAJP-LBPRGKRZSA-N -1 0 403.460 4.246 20 30 HIEDRM N#CC(=C([O-])c1cc(Br)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000431259315 858536494 /nfs/dbraw/zinc/53/64/94/858536494.db2.gz OGLSNWCCYSRAKM-GFCCVEGCSA-N -1 0 402.229 4.457 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c(C)c1 ZINC000431331382 858569543 /nfs/dbraw/zinc/56/95/43/858569543.db2.gz GJLLDHZRNYIXOI-UHFFFAOYSA-N -1 0 416.553 4.120 20 30 HIEDRM C=C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1)c1ccccc1 ZINC000431455084 858625904 /nfs/dbraw/zinc/62/59/04/858625904.db2.gz GYEOILVIEPUQGR-KDOFPFPSSA-N -1 0 402.288 4.441 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3csc([C@H]4CCCO4)n3)c2)c1 ZINC000431679497 858734492 /nfs/dbraw/zinc/73/44/92/858734492.db2.gz QGRSFQYBXJIYDR-HXUWFJFHSA-N -1 0 418.474 4.345 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1ccc(F)cc1 ZINC000432063854 858962461 /nfs/dbraw/zinc/96/24/61/858962461.db2.gz PBVQAVUUVXPYNN-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)cc1 ZINC000432198788 859042907 /nfs/dbraw/zinc/04/29/07/859042907.db2.gz QKEMHJSVMAJRIG-UHFFFAOYSA-N -1 0 406.916 4.271 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccc(Br)cc3)n2)n1 ZINC000432212019 859049769 /nfs/dbraw/zinc/04/97/69/859049769.db2.gz DDAUZJNRBAYKOR-AWEZNQCLSA-N -1 0 401.289 4.198 20 30 HIEDRM O=S(=O)([N-]CC[C@H](c1ccccc1)C(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000432275470 859079324 /nfs/dbraw/zinc/07/93/24/859079324.db2.gz CDXJJJGNJLETCN-SNVBAGLBSA-N -1 0 415.330 4.258 20 30 HIEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1C(C)C ZINC000432956756 859447536 /nfs/dbraw/zinc/44/75/36/859447536.db2.gz AQLZNKQWZIQSTK-UHFFFAOYSA-N -1 0 403.504 4.005 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)c(F)c1 ZINC000435145932 860664638 /nfs/dbraw/zinc/66/46/38/860664638.db2.gz HYGUNICDQXCEFF-UHFFFAOYSA-N -1 0 403.435 4.183 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)cc1C(F)(F)F ZINC000435202430 860694123 /nfs/dbraw/zinc/69/41/23/860694123.db2.gz LKWWNRPPAYXBAW-UHFFFAOYSA-N -1 0 419.356 4.266 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3ccc(F)cc32)n1 ZINC000435454746 860804778 /nfs/dbraw/zinc/80/47/78/860804778.db2.gz AXYOMYVUQJPANC-HNNXBMFYSA-N -1 0 409.442 4.375 20 30 HIEDRM Cc1cc(OCc2cccc(F)c2)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435471722 860809966 /nfs/dbraw/zinc/80/99/66/860809966.db2.gz CJKJQXMETQNHLD-UHFFFAOYSA-N -1 0 402.472 4.447 20 30 HIEDRM Cc1ccc(NC(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435481011 860814152 /nfs/dbraw/zinc/81/41/52/860814152.db2.gz RCKCWDHABIEWBY-UHFFFAOYSA-N -1 0 412.496 4.373 20 30 HIEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000438227133 863663730 /nfs/dbraw/zinc/66/37/30/863663730.db2.gz QGEOFXKLTZUEML-UHFFFAOYSA-N -1 0 402.863 4.021 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000438760924 864256001 /nfs/dbraw/zinc/25/60/01/864256001.db2.gz YZCGGUKSIGJJLN-UHFFFAOYSA-N -1 0 414.350 4.313 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(CC)s2)cnn1-c1cccc(C#N)c1 ZINC000438833105 864327520 /nfs/dbraw/zinc/32/75/20/864327520.db2.gz WIEKLEDYPSDCJA-UHFFFAOYSA-N -1 0 400.529 4.121 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cccc3ncccc32)cnn1-c1cccc(C#N)c1 ZINC000438841877 864335165 /nfs/dbraw/zinc/33/51/65/864335165.db2.gz QFOSHZCAVXRZLE-UHFFFAOYSA-N -1 0 417.494 4.045 20 30 HIEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])cc1 ZINC000438948822 864420592 /nfs/dbraw/zinc/42/05/92/864420592.db2.gz NMHZHAOTQHKIHV-UHFFFAOYSA-N -1 0 419.485 4.261 20 30 HIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000438990334 864450127 /nfs/dbraw/zinc/45/01/27/864450127.db2.gz IPIDXOODOCGASG-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM N#CC(=C([O-])c1cccc(C(=O)NC2CC2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000439645946 864972391 /nfs/dbraw/zinc/97/23/91/864972391.db2.gz KEHHAMMYSDQLGP-OAHLLOKOSA-N -1 0 423.444 4.471 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1C#N ZINC000439864820 865171171 /nfs/dbraw/zinc/17/11/71/865171171.db2.gz GYQILWYBYDNESS-UHFFFAOYSA-N -1 0 405.479 4.350 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc1C#N ZINC000439948050 865242188 /nfs/dbraw/zinc/24/21/88/865242188.db2.gz GJVVWRYQFRQVLA-GFCCVEGCSA-N -1 0 401.797 4.068 20 30 HIEDRM CCc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)cc1C(=O)[O-] ZINC000440821699 865937176 /nfs/dbraw/zinc/93/71/76/865937176.db2.gz BJIFAXJFAPXLQB-UHFFFAOYSA-N -1 0 422.462 4.412 20 30 HIEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000442357869 867344928 /nfs/dbraw/zinc/34/49/28/867344928.db2.gz IGUPUTXMFDKGMB-UHFFFAOYSA-N -1 0 422.462 4.328 20 30 HIEDRM N#Cc1cc(NC(=O)c2ccc(Br)c([O-])c2)ccc1OC(F)(F)F ZINC000442949055 867759501 /nfs/dbraw/zinc/75/95/01/867759501.db2.gz YQFVKVJLIVTBKC-UHFFFAOYSA-N -1 0 401.138 4.177 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2sc3ccc(Cl)cc3c2C)cc1C#N ZINC000442977217 867774272 /nfs/dbraw/zinc/77/42/72/867774272.db2.gz ZCJFXFQBRWYIMO-UHFFFAOYSA-N -1 0 403.916 4.487 20 30 HIEDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443412751 867998290 /nfs/dbraw/zinc/99/82/90/867998290.db2.gz KLHCNOGKJQKPGT-UHFFFAOYSA-N -1 0 406.332 4.288 20 30 HIEDRM Cn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000444460141 868836889 /nfs/dbraw/zinc/83/68/89/868836889.db2.gz YENUISDUCZCTKI-AWEZNQCLSA-N -1 0 408.874 4.077 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2cccc(Cl)c2)nn1)c1nc2ccccc2n1C(F)F ZINC000444463340 868839043 /nfs/dbraw/zinc/83/90/43/868839043.db2.gz AZCYWMPZIQCPPT-CYBMUJFWSA-N -1 0 412.787 4.156 20 30 HIEDRM N#CCCn1cc(C([O-])=CS(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000468404132 882345815 /nfs/dbraw/zinc/34/58/15/882345815.db2.gz UPHRMMXMDYYWSD-UHFFFAOYSA-N -1 0 420.412 4.230 20 30 HIEDRM N#CCCn1cc(C([O-])=CS(=O)(=O)c2ccccc2C(F)(F)F)c2ccccc21 ZINC000468484367 882453663 /nfs/dbraw/zinc/45/36/63/882453663.db2.gz SDLPTINAKRGHQF-UHFFFAOYSA-N -1 0 420.412 4.230 20 30 HIEDRM O=S(=O)(Nc1cc(F)c(OC(F)F)cc1F)c1cccc(C(F)(F)F)c1 ZINC000447262638 871140728 /nfs/dbraw/zinc/14/07/28/871140728.db2.gz FOLLEWSVQIPYFX-UHFFFAOYSA-N -1 0 403.275 4.386 20 30 HIEDRM Cc1ccc(-c2nnc([N-]C(=O)c3cc(-c4cccc(C#N)c4)no3)s2)c(C)c1 ZINC000447502114 871378293 /nfs/dbraw/zinc/37/82/93/871378293.db2.gz ZOPSLGPLDDBOKM-UHFFFAOYSA-N -1 0 401.451 4.601 20 30 HIEDRM Cc1c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cnn1-c1ccc(Cl)cc1 ZINC000460414856 873071139 /nfs/dbraw/zinc/07/11/39/873071139.db2.gz YDZIICMSJNMBTE-UHFFFAOYSA-N -1 0 414.918 4.436 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000460838732 873727652 /nfs/dbraw/zinc/72/76/52/873727652.db2.gz SWYDIUUWLQSWIJ-UHFFFAOYSA-N -1 0 403.891 4.200 20 30 HIEDRM N#Cc1ccccc1Cn1cccc1CN=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000461187288 874180259 /nfs/dbraw/zinc/18/02/59/874180259.db2.gz QKFHRWDHYZFGIW-UHFFFAOYSA-N -1 0 421.476 4.163 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(Cl)c1 ZINC000463517573 876582750 /nfs/dbraw/zinc/58/27/50/876582750.db2.gz VQLCIRUEJSLIAD-UHFFFAOYSA-N -1 0 406.891 4.342 20 30 HIEDRM COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC)oc1ccccc12 ZINC000463529000 876603174 /nfs/dbraw/zinc/60/31/74/876603174.db2.gz ZVJGGYMINFPTFM-UHFFFAOYSA-N -1 0 408.435 4.276 20 30 HIEDRM CC(C)(C)n1cnc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 ZINC000464180552 877351308 /nfs/dbraw/zinc/35/13/08/877351308.db2.gz FYFWMPSWDLGTGM-LBMSDSGBSA-N -1 0 409.559 4.447 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C)c(Cc2cccc(C)c2)s1 ZINC000464407054 877611499 /nfs/dbraw/zinc/61/14/99/877611499.db2.gz FNHCHRBAXFPVNZ-UHFFFAOYSA-N -1 0 413.524 4.032 20 30 HIEDRM N#CC(=C([O-])c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464418292 877625323 /nfs/dbraw/zinc/62/53/23/877625323.db2.gz AYJGNJYBARMQBK-NSHDSACASA-N -1 0 401.247 4.100 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000503531453 912585009 /nfs/dbraw/zinc/58/50/09/912585009.db2.gz ZETOFWOYTBJDSX-SFHVURJKSA-N -1 0 417.446 4.474 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)c1 ZINC000467420390 881209204 /nfs/dbraw/zinc/20/92/04/881209204.db2.gz UVJATBHYFCIURY-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)n1 ZINC000469348367 883466935 /nfs/dbraw/zinc/46/69/35/883466935.db2.gz UWQMMMLGDZECTM-UHFFFAOYSA-N -1 0 403.533 4.044 20 30 HIEDRM Cc1nc(-c2ccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)cc(=O)[nH]1 ZINC000503641214 912745094 /nfs/dbraw/zinc/74/50/94/912745094.db2.gz DCUGUSARRHFKTC-UHFFFAOYSA-N -1 0 411.465 4.351 20 30 HIEDRM COc1ccsc1S(=O)(=O)[N-]c1cccc(COc2ccc(CC#N)cc2)c1 ZINC000471130063 885668894 /nfs/dbraw/zinc/66/88/94/885668894.db2.gz GVXGZUQPDYBFLI-UHFFFAOYSA-N -1 0 414.508 4.203 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000473763352 888558831 /nfs/dbraw/zinc/55/88/31/888558831.db2.gz TYFRJGVDRLONAV-UHFFFAOYSA-N -1 0 404.532 4.461 20 30 HIEDRM C=CCCCCNC(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000474099681 888922055 /nfs/dbraw/zinc/92/20/55/888922055.db2.gz VKZGXMFEGMQUGA-OAHLLOKOSA-N -1 0 407.561 4.265 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)C(F)F)nc2)n1 ZINC000474435695 889301213 /nfs/dbraw/zinc/30/12/13/889301213.db2.gz CLKXLJZJSHXSAI-NSHDSACASA-N -1 0 401.385 4.431 20 30 HIEDRM COc1cccc(-c2nc(=NC(=O)c3ccccc3-c3ccccc3C#N)s[n-]2)c1 ZINC000476288019 891205929 /nfs/dbraw/zinc/20/59/29/891205929.db2.gz PBHNKMIQBYJGJB-UHFFFAOYSA-N -1 0 412.474 4.427 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nc(C3CC3)no2)cc1Cl ZINC000476375824 891289596 /nfs/dbraw/zinc/28/95/96/891289596.db2.gz INNFVMCVQIEQDR-UHFFFAOYSA-N -1 0 418.837 4.079 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)cc1C#N ZINC000476459833 891373014 /nfs/dbraw/zinc/37/30/14/891373014.db2.gz OJRQGFIFFQQNRW-UHFFFAOYSA-N -1 0 407.417 4.209 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccc4ncsc4c3)s2)cc1 ZINC000479090044 894357678 /nfs/dbraw/zinc/35/76/78/894357678.db2.gz NEUMLQAFRMTLOD-UHFFFAOYSA-N -1 0 412.521 4.016 20 30 HIEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccccc1C(F)(F)F ZINC000479273456 894549045 /nfs/dbraw/zinc/54/90/45/894549045.db2.gz DCHHNKAIWDIKCH-UHFFFAOYSA-N -1 0 402.397 4.301 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000479504928 894820841 /nfs/dbraw/zinc/82/08/41/894820841.db2.gz RGRIZHYWMYJVNB-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM Cc1ccc(-n2ncc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)c2C(C)C)cc1 ZINC000480196488 895595550 /nfs/dbraw/zinc/59/55/50/895595550.db2.gz JLFMHNSOJFYVNL-UHFFFAOYSA-N -1 0 416.453 4.255 20 30 HIEDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1C(C)C ZINC000480228648 895634166 /nfs/dbraw/zinc/63/41/66/895634166.db2.gz OTHFPOILZCKVJK-UHFFFAOYSA-N -1 0 414.453 4.498 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cnn1-c1ccc(Cl)cc1 ZINC000480238251 895646818 /nfs/dbraw/zinc/64/68/18/895646818.db2.gz CONCAYJNEKRFLE-UHFFFAOYSA-N -1 0 422.844 4.039 20 30 HIEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c1C ZINC000480646252 896015400 /nfs/dbraw/zinc/01/54/00/896015400.db2.gz LULVWAZGHOGOJE-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM N#Cc1cc(NC(=O)c2ccc(Br)c([O-])c2)ccc1OCC(F)(F)F ZINC000480711478 896073037 /nfs/dbraw/zinc/07/30/37/896073037.db2.gz ZSEJISFJNUJPQW-UHFFFAOYSA-N -1 0 415.165 4.220 20 30 HIEDRM CCc1c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cnn1-c1ccccc1Cl ZINC000482795621 898404389 /nfs/dbraw/zinc/40/43/89/898404389.db2.gz JLVWUPKSIZQHMB-UHFFFAOYSA-N -1 0 413.890 4.035 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2cccc(Br)c2)c1)c1cnc2ccccc2n1 ZINC000483188315 898847978 /nfs/dbraw/zinc/84/79/78/898847978.db2.gz AZZCFXHXCRFNDO-MRXNPFEDSA-N -1 0 418.254 4.068 20 30 HIEDRM N#CC(=C([O-])c1occc1CN1C(=O)Cc2ccccc21)c1nccc2ccccc21 ZINC000483191076 898849235 /nfs/dbraw/zinc/84/92/35/898849235.db2.gz AJAWAQCZYUWZLK-HXUWFJFHSA-N -1 0 407.429 4.407 20 30 HIEDRM Cc1nn(C)c2nc(-c3cccs3)cc(C([O-])=C(C#N)c3cnc4ccccc4n3)c12 ZINC000483202228 898856550 /nfs/dbraw/zinc/85/65/50/898856550.db2.gz STHDIPXKOIRZEB-OAHLLOKOSA-N -1 0 424.489 4.439 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483232882 898877093 /nfs/dbraw/zinc/87/70/93/898877093.db2.gz HYDKHKUSZNGCOD-LJQANCHMSA-N -1 0 403.507 4.342 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1ccc(OC(C)C)cc1 ZINC000483244201 898887069 /nfs/dbraw/zinc/88/70/69/898887069.db2.gz ZQJWMGWAMKUYNO-NRFANRHFSA-N -1 0 411.465 4.401 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1C#N ZINC000484443656 899947757 /nfs/dbraw/zinc/94/77/57/899947757.db2.gz UTLSSJSGZIXQBQ-NSHDSACASA-N -1 0 402.545 4.241 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(-c3ccc(F)c(F)c3)s2)n1 ZINC000505722324 914403914 /nfs/dbraw/zinc/40/39/14/914403914.db2.gz DIUVAFRRSKFUGV-SNVBAGLBSA-N -1 0 419.434 4.212 20 30 HIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000485151418 900451775 /nfs/dbraw/zinc/45/17/75/900451775.db2.gz UROCEUZPVSSBAR-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM C=CCc1ccc(OCC(=O)NCc2c(C(=O)[O-])sc3ccsc32)c(OC)c1 ZINC000486383345 901547578 /nfs/dbraw/zinc/54/75/78/901547578.db2.gz SPBKTEWIBKMATC-UHFFFAOYSA-N -1 0 417.508 4.093 20 30 HIEDRM O=S(=O)([N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cccc(F)c1F ZINC000486618925 901755131 /nfs/dbraw/zinc/75/51/31/901755131.db2.gz MBSYIFXMDHGTHZ-ZDUSSCGKSA-N -1 0 417.302 4.148 20 30 HIEDRM CC[C@@H](CSc1ccc(C)c(C)c1)NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000505967145 914628997 /nfs/dbraw/zinc/62/89/97/914628997.db2.gz AONQWGCAORJYFT-HNNXBMFYSA-N -1 0 401.557 4.298 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)ccc1F ZINC000488250944 902724555 /nfs/dbraw/zinc/72/45/55/902724555.db2.gz OORRFHLHTQNXRE-INIZCTEOSA-N -1 0 424.881 4.099 20 30 HIEDRM COCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000492246400 904823042 /nfs/dbraw/zinc/82/30/42/904823042.db2.gz RRDJDZMYGSYUCW-CQSZACIVSA-N -1 0 405.501 4.403 20 30 HIEDRM N#Cc1cc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])cnc1C(F)(F)F ZINC000493025617 904991200 /nfs/dbraw/zinc/99/12/00/904991200.db2.gz HFIVNFFLVROQMV-UHFFFAOYSA-N -1 0 420.572 4.346 20 30 HIEDRM CCOC(=O)c1cc2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)ccc2[nH]1 ZINC000512937936 921425642 /nfs/dbraw/zinc/42/56/42/921425642.db2.gz VKTJLPJERPVCIJ-INIZCTEOSA-N -1 0 416.462 4.353 20 30 HIEDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000512964935 921441342 /nfs/dbraw/zinc/44/13/42/921441342.db2.gz XBHKUMNJQZQVMU-XWIAVFTESA-N -1 0 402.479 4.290 20 30 HIEDRM CCCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1-c1ccccc1Cl ZINC000501316626 910467909 /nfs/dbraw/zinc/46/79/09/910467909.db2.gz WQIUFYXVGGEREG-AWEZNQCLSA-N -1 0 418.888 4.250 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)cc1 ZINC000502920837 911906634 /nfs/dbraw/zinc/90/66/34/911906634.db2.gz SPBJLTQROYCXMV-UHFFFAOYSA-N -1 0 420.313 4.245 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnn1Cc1cccc2ccccc21 ZINC000513377472 921751826 /nfs/dbraw/zinc/75/18/26/921751826.db2.gz LODGQKLYVIBOJF-UHFFFAOYSA-N -1 0 402.479 4.066 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cn1 ZINC000506553520 915199111 /nfs/dbraw/zinc/19/91/11/915199111.db2.gz BGJVMYNXQMLTFS-GOSISDBHSA-N -1 0 413.886 4.200 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000506646414 915316470 /nfs/dbraw/zinc/31/64/70/915316470.db2.gz PFQMGZQKVWWUAE-SECBINFHSA-N -1 0 404.410 4.438 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506732848 915418983 /nfs/dbraw/zinc/41/89/83/915418983.db2.gz YNPXEDYRYJEIOU-UHFFFAOYSA-N -1 0 422.462 4.466 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccoc3)s2)c(C(F)(F)F)c1 ZINC000506849509 915631882 /nfs/dbraw/zinc/63/18/82/915631882.db2.gz RTWOHTSBBHFNCI-UHFFFAOYSA-N -1 0 413.402 4.018 20 30 HIEDRM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3cncc(Cl)c3)c2)cc1 ZINC000506996007 915809455 /nfs/dbraw/zinc/80/94/55/915809455.db2.gz YIKMNCVZPRTGAW-UHFFFAOYSA-N -1 0 413.886 4.181 20 30 HIEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)CCc3cccc(Cl)c3)n2)c(Cl)c1 ZINC000507939560 916808516 /nfs/dbraw/zinc/80/85/16/916808516.db2.gz ZLQGDKVZMXLBAQ-UHFFFAOYSA-N -1 0 421.309 4.035 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1Br ZINC000508104716 916920696 /nfs/dbraw/zinc/92/06/96/916920696.db2.gz UBKLYQNANNIVCR-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000508126204 916943419 /nfs/dbraw/zinc/94/34/19/916943419.db2.gz CNNQHHAQKKAXOV-UHFFFAOYSA-N -1 0 420.263 4.117 20 30 HIEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000508204136 917023811 /nfs/dbraw/zinc/02/38/11/917023811.db2.gz KBYIPELNSOWZGQ-UHFFFAOYSA-N -1 0 402.863 4.015 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508234945 917052308 /nfs/dbraw/zinc/05/23/08/917052308.db2.gz IVNNDFRBUYOQFV-UHFFFAOYSA-N -1 0 418.828 4.343 20 30 HIEDRM C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000508461681 917246698 /nfs/dbraw/zinc/24/66/98/917246698.db2.gz ONSFXGQGMUIOGI-UHFFFAOYSA-N -1 0 412.906 4.131 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000509385606 918052832 /nfs/dbraw/zinc/05/28/32/918052832.db2.gz OXZUCWXXDIAORB-UHFFFAOYSA-N -1 0 402.291 4.368 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000509569022 918218860 /nfs/dbraw/zinc/21/88/60/918218860.db2.gz MJARZMYXHSMAGL-UHFFFAOYSA-N -1 0 414.433 4.411 20 30 HIEDRM C=CCOc1c(Br)cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1OC ZINC000509693389 918324919 /nfs/dbraw/zinc/32/49/19/918324919.db2.gz XUWLIHZYBGBRNH-GQCTYLIASA-N -1 0 415.243 4.158 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1C#N ZINC000509992830 918579607 /nfs/dbraw/zinc/57/96/07/918579607.db2.gz PZTIGARLOTXOQF-CJNGLKHVSA-N -1 0 421.444 4.466 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)ccc1Br ZINC000511275919 919873493 /nfs/dbraw/zinc/87/34/93/919873493.db2.gz IMYRWLBFPXUCFE-UHFFFAOYSA-N -1 0 409.305 4.217 20 30 HIEDRM C=CCOc1cccc(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)c1 ZINC000511323603 919914864 /nfs/dbraw/zinc/91/48/64/919914864.db2.gz NJQKNVPGKKYXMI-UHFFFAOYSA-N -1 0 419.481 4.323 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000511729468 920396847 /nfs/dbraw/zinc/39/68/47/920396847.db2.gz MKNUPUJGRLOLJI-UHFFFAOYSA-N -1 0 409.423 4.368 20 30 HIEDRM N#CC(=C([O-])c1ccc2c(c1)nc1n(c2=O)CCCCC1)c1nc2ccccc2s1 ZINC000513681394 922001745 /nfs/dbraw/zinc/00/17/45/922001745.db2.gz BBVLEDMQLZDNSU-MRXNPFEDSA-N -1 0 414.490 4.223 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc([N+](=O)[O-])ccc3OC)n2)cc1 ZINC000516269972 923638146 /nfs/dbraw/zinc/63/81/46/923638146.db2.gz HPRQPLKXRZGFDZ-MRXNPFEDSA-N -1 0 409.423 4.226 20 30 HIEDRM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)s2)cc1 ZINC000516837591 923914293 /nfs/dbraw/zinc/91/42/93/923914293.db2.gz CRFVTQXTTAPQST-HNNXBMFYSA-N -1 0 403.467 4.197 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)cc1C#N ZINC000517105394 924000394 /nfs/dbraw/zinc/00/03/94/924000394.db2.gz PGVGWQUAUHEISY-UHFFFAOYSA-N -1 0 410.524 4.297 20 30 HIEDRM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000517519438 924243083 /nfs/dbraw/zinc/24/30/83/924243083.db2.gz DYDWVAUFZIJICN-CQSZACIVSA-N -1 0 404.513 4.058 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccccc2Oc2ccccc2C)cc1C#N ZINC000518050850 926988197 /nfs/dbraw/zinc/98/81/97/926988197.db2.gz KEKUQZKKGBGUMP-UHFFFAOYSA-N -1 0 405.479 4.412 20 30 HIEDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000518241812 927101603 /nfs/dbraw/zinc/10/16/03/927101603.db2.gz IAKZTDXMQYWNBR-ZDUSSCGKSA-N -1 0 405.501 4.352 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)cc1C#N ZINC000518456108 927289064 /nfs/dbraw/zinc/28/90/64/927289064.db2.gz YADMTMIXVUHEJA-UHFFFAOYSA-N -1 0 410.474 4.021 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(-c4ccccc4)c3)n2)cc1 ZINC000518516600 927320648 /nfs/dbraw/zinc/32/06/48/927320648.db2.gz MUGGWDFQUXTDTK-LJQANCHMSA-N -1 0 400.463 4.494 20 30 HIEDRM CNc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] ZINC000518516419 927320872 /nfs/dbraw/zinc/32/08/72/927320872.db2.gz BIAUADCGQFPUKP-OAHLLOKOSA-N -1 0 403.423 4.122 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(-c4ccccc4)c3)n2)cc1 ZINC000518516599 927320989 /nfs/dbraw/zinc/32/09/89/927320989.db2.gz MUGGWDFQUXTDTK-IBGZPJMESA-N -1 0 400.463 4.494 20 30 HIEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000519021395 927698223 /nfs/dbraw/zinc/69/82/23/927698223.db2.gz MWHIYDTVOMTCCQ-INIZCTEOSA-N -1 0 416.481 4.273 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)s1 ZINC000521264934 929089678 /nfs/dbraw/zinc/08/96/78/929089678.db2.gz RSEZUGVUNUGLBS-SECBINFHSA-N -1 0 404.419 4.426 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCC2)c(F)c1 ZINC000524810648 929839082 /nfs/dbraw/zinc/83/90/82/929839082.db2.gz AOFLAQKJWYJOOJ-UHFFFAOYSA-N -1 0 413.396 4.117 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)sc1Br ZINC000534668650 932637657 /nfs/dbraw/zinc/63/76/57/932637657.db2.gz CQCPMXRNEQTSDI-MRVPVSSYSA-N -1 0 405.195 4.423 20 30 HIEDRM Cc1cc(S(C)(=O)=O)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1C ZINC000534693240 932663304 /nfs/dbraw/zinc/66/33/04/932663304.db2.gz WFJGWRGABOIHNY-SFHVURJKSA-N -1 0 410.520 4.321 20 30 HIEDRM CCS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000535684745 933341035 /nfs/dbraw/zinc/34/10/35/933341035.db2.gz AJCYFQNQJWVGTO-SFHVURJKSA-N -1 0 410.520 4.402 20 30 HIEDRM C=CCN(C(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000562418989 945072027 /nfs/dbraw/zinc/07/20/27/945072027.db2.gz NWGIQOKEJDEMFP-KRWDZBQOSA-N -1 0 418.877 4.073 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)c(F)c2)c(C)o1 ZINC000538448635 938624735 /nfs/dbraw/zinc/62/47/35/938624735.db2.gz XKNQFFMZXFPVTK-UHFFFAOYSA-N -1 0 400.431 4.287 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccnc3OCC(F)F)n2)cc1 ZINC000538767096 938705759 /nfs/dbraw/zinc/70/57/59/938705759.db2.gz WOAKEKNTTPLNDE-OAHLLOKOSA-N -1 0 415.421 4.348 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)cc1C#N ZINC000539093867 938801903 /nfs/dbraw/zinc/80/19/03/938801903.db2.gz QVYCMFZNJNDRAN-VIFPVBQESA-N -1 0 408.310 4.447 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc(-c3ccccc3Cl)n2)n1 ZINC000539584315 938883625 /nfs/dbraw/zinc/88/36/25/938883625.db2.gz NUMRCSMBOMMKRB-NSHDSACASA-N -1 0 401.831 4.118 20 30 HIEDRM N#CCC1CCN(C(=O)c2nn(-c3cc(Cl)c(Cl)cc3Cl)cc2[O-])CC1 ZINC000541049105 939441778 /nfs/dbraw/zinc/44/17/78/939441778.db2.gz IGIUOXDKPHJUBS-UHFFFAOYSA-N -1 0 413.692 4.304 20 30 HIEDRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542009235 939683732 /nfs/dbraw/zinc/68/37/32/939683732.db2.gz OIIDGRKCRAYGKG-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1Cl ZINC000542094799 939710961 /nfs/dbraw/zinc/71/09/61/939710961.db2.gz UBSLEHUOVNYRLF-UHFFFAOYSA-N -1 0 402.781 4.234 20 30 HIEDRM N#Cc1ccc(CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)C2CC2)cc1 ZINC000542727091 939857227 /nfs/dbraw/zinc/85/72/27/939857227.db2.gz FDYVYBKWHLCZCP-UHFFFAOYSA-N -1 0 409.902 4.349 20 30 HIEDRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccn(-c4ccc(Cl)cc4C#N)n3)c2n1 ZINC000542985166 939891547 /nfs/dbraw/zinc/89/15/47/939891547.db2.gz YHOASSOBQTZNHD-UHFFFAOYSA-N -1 0 423.885 4.055 20 30 HIEDRM N#Cc1cc(Cl)ccc1-n1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000543912306 940239948 /nfs/dbraw/zinc/23/99/48/940239948.db2.gz XITAIDLBOLXIAH-UHFFFAOYSA-N -1 0 408.870 4.351 20 30 HIEDRM N#CC(=C([O-])c1cnc2nccnc2c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000544817235 940517017 /nfs/dbraw/zinc/51/70/17/940517017.db2.gz HCJRXMIYPMNUJF-XYUGOERHSA-N -1 0 415.522 4.439 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)CCC3CC3)s2)c(C(F)(F)F)c1 ZINC000545150168 940551538 /nfs/dbraw/zinc/55/15/38/940551538.db2.gz LOWNHPPPWSDDDR-UHFFFAOYSA-N -1 0 415.462 4.166 20 30 HIEDRM N#CC(=C([O-])c1coc(C(N)=O)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000545449321 940570479 /nfs/dbraw/zinc/57/04/79/940570479.db2.gz RIDRDRCDORQUCU-LLVKDONJSA-N -1 0 406.250 4.299 20 30 HIEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000546155773 940716122 /nfs/dbraw/zinc/71/61/22/940716122.db2.gz VSANMKGTFQCNIL-SFHVURJKSA-N -1 0 416.462 4.052 20 30 HIEDRM COC(=O)c1coc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000546864001 940897501 /nfs/dbraw/zinc/89/75/01/940897501.db2.gz QACUTCOGKOGUHV-CPUAJEGOSA-N -1 0 410.495 4.481 20 30 HIEDRM C=CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000548278726 941093372 /nfs/dbraw/zinc/09/33/72/941093372.db2.gz PIDXEBWKCBOQHA-SFHVURJKSA-N -1 0 413.524 4.242 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1C#N ZINC000549215336 941171586 /nfs/dbraw/zinc/17/15/86/941171586.db2.gz WQBFLHWHYLYUAC-OAHLLOKOSA-N -1 0 407.417 4.281 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1ccc(Cl)cc1 ZINC000554694400 942201932 /nfs/dbraw/zinc/20/19/32/942201932.db2.gz ZRPGZCWRXKHGJB-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM COc1ccc(-c2ccc(C)c(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)c2)cn1 ZINC000558730033 943633717 /nfs/dbraw/zinc/63/37/17/943633717.db2.gz MJOYAIAHUAAZLF-UHFFFAOYSA-N -1 0 406.467 4.012 20 30 HIEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)c1 ZINC000559962411 944101066 /nfs/dbraw/zinc/10/10/66/944101066.db2.gz TVLIHSNUEJHURI-UHFFFAOYSA-N -1 0 421.103 4.018 20 30 HIEDRM N#CC(=C([O-])c1cc(Br)cnc1OCC1CC1)c1nc2ccccc2o1 ZINC000560552412 944252435 /nfs/dbraw/zinc/25/24/35/944252435.db2.gz COVDBKARLNNNGH-CQSZACIVSA-N -1 0 412.243 4.264 20 30 HIEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000560784765 944329747 /nfs/dbraw/zinc/32/97/47/944329747.db2.gz ILQKWWSRJAFFGU-UHFFFAOYSA-N -1 0 402.426 4.394 20 30 HIEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000561178971 944501397 /nfs/dbraw/zinc/50/13/97/944501397.db2.gz XRIBEDKOGBGFSU-CQSZACIVSA-N -1 0 408.907 4.061 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nnn1-c1ccc(F)c(Cl)c1 ZINC000566034358 945984212 /nfs/dbraw/zinc/98/42/12/945984212.db2.gz HYGBOQZHAWVRTB-ZDUSSCGKSA-N -1 0 408.824 4.043 20 30 HIEDRM N#Cc1cc(Oc2ccc(NC(=O)c3nn(-c4ccccc4F)cc3[O-])cc2)ccn1 ZINC000567803722 946417335 /nfs/dbraw/zinc/41/73/35/946417335.db2.gz RTYKUXNSKGDAIC-UHFFFAOYSA-N -1 0 415.384 4.028 20 30 HIEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)cc1 ZINC000568674325 946647904 /nfs/dbraw/zinc/64/79/04/946647904.db2.gz UWGVCCDKDOGHBD-HNNXBMFYSA-N -1 0 422.350 4.300 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2ccc(C#N)cc2)ccc1F ZINC000011333432 845781833 /nfs/dbraw/zinc/78/18/33/845781833.db2.gz ZJMAORKIBHORBA-UHFFFAOYSA-N -1 0 424.453 4.164 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000436478072 861819190 /nfs/dbraw/zinc/81/91/90/861819190.db2.gz OJFDRFOREOZJHK-UHFFFAOYSA-N -1 0 402.419 4.218 20 30 HIEDRM C=CCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000436552771 861848917 /nfs/dbraw/zinc/84/89/17/861848917.db2.gz CWAPBPXCJPXNRG-GFCCVEGCSA-N -1 0 418.284 4.064 20 30 HIEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000038322438 848177424 /nfs/dbraw/zinc/17/74/24/848177424.db2.gz FXHMDHNFXLBOBX-ORCRQEGFSA-N -1 0 401.268 4.399 20 30 HIEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436640338 861879119 /nfs/dbraw/zinc/87/91/19/861879119.db2.gz VNHLBYKKWAXTEA-UHFFFAOYSA-N -1 0 405.385 4.154 20 30 HIEDRM CS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000041515109 848224395 /nfs/dbraw/zinc/22/43/95/848224395.db2.gz OZEBBUAGYUKTRY-MRXNPFEDSA-N -1 0 416.911 4.357 20 30 HIEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cs1 ZINC000041514150 848224919 /nfs/dbraw/zinc/22/49/19/848224919.db2.gz PEBGKUPSOUDHPV-GFCCVEGCSA-N -1 0 402.888 4.368 20 30 HIEDRM Cc1nc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1-c1ccc(F)cc1 ZINC000041533429 848227700 /nfs/dbraw/zinc/22/77/00/848227700.db2.gz RQWAPQCSBAFMLV-QGZVFWFLSA-N -1 0 403.442 4.328 20 30 HIEDRM CC(=O)Nc1cc(NC(C)=O)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000041537426 848228484 /nfs/dbraw/zinc/22/84/84/848228484.db2.gz OYRKWIASJWRNLJ-LJQANCHMSA-N -1 0 418.478 4.217 20 30 HIEDRM N#C[C@@H](NC(=O)c1cc(Br)c([O-])c(Br)c1)C1CCCCC1 ZINC000436663410 861886726 /nfs/dbraw/zinc/88/67/26/861886726.db2.gz LRRCZSNQYSXQQE-CYBMUJFWSA-N -1 0 416.113 4.119 20 30 HIEDRM CC(C)(C)CN(CCC#N)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436665658 861887432 /nfs/dbraw/zinc/88/74/32/861887432.db2.gz RQOSJFVGVIIIKR-UHFFFAOYSA-N -1 0 418.129 4.319 20 30 HIEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000436670558 861889132 /nfs/dbraw/zinc/88/91/32/861889132.db2.gz FQEUGZMRNWKSAE-UHFFFAOYSA-N -1 0 405.385 4.154 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)c1-n1cccc1)c1nc2ccccc2o1 ZINC000054734030 849915007 /nfs/dbraw/zinc/91/50/07/849915007.db2.gz AXNDOZUOSZAQJN-QGZVFWFLSA-N -1 0 411.396 4.433 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000055591866 850067450 /nfs/dbraw/zinc/06/74/50/850067450.db2.gz VLKWUQFJJUANFJ-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000056102349 850244870 /nfs/dbraw/zinc/24/48/70/850244870.db2.gz ONIUZXQQHSLUDN-UHFFFAOYSA-N -1 0 409.445 4.425 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000057122683 850554013 /nfs/dbraw/zinc/55/40/13/850554013.db2.gz NSFXWCKTDGPLQC-UHFFFAOYSA-N -1 0 400.378 4.045 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CSCc2cc(-c3cccs3)on2)cc1 ZINC000061066975 851286114 /nfs/dbraw/zinc/28/61/14/851286114.db2.gz YYBZFBVZPTUXCQ-UHFFFAOYSA-N -1 0 408.526 4.290 20 30 HIEDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cnc(-c3ccc(C)cc3C)s2)c1 ZINC000061067305 851286191 /nfs/dbraw/zinc/28/61/91/851286191.db2.gz FNXSMMRNFWYOLL-UHFFFAOYSA-N -1 0 414.508 4.323 20 30 HIEDRM O=C(CSCc1cc(-c2cccs2)on1)[N-]S(=O)(=O)c1cccs1 ZINC000061067009 851286620 /nfs/dbraw/zinc/28/66/20/851286620.db2.gz LOMBIUTYSMXKEC-UHFFFAOYSA-N -1 0 400.528 4.043 20 30 HIEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(CC#N)cc1 ZINC000061110458 851295295 /nfs/dbraw/zinc/29/52/95/851295295.db2.gz GUAQYEFXNKNBKB-UHFFFAOYSA-N -1 0 423.469 4.253 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000065322933 852105301 /nfs/dbraw/zinc/10/53/01/852105301.db2.gz BJTDKTCIFCXWDB-UHFFFAOYSA-N -1 0 410.326 4.395 20 30 HIEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCc2cc(F)ccc2F)cc1OCC ZINC000065764313 852247980 /nfs/dbraw/zinc/24/79/80/852247980.db2.gz ZRAICAXPYCOMEX-UHFFFAOYSA-N -1 0 413.442 4.040 20 30 HIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000066003260 852352658 /nfs/dbraw/zinc/35/26/58/852352658.db2.gz CRBCBWCCRYURHC-UHFFFAOYSA-N -1 0 405.491 4.172 20 30 HIEDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1(c2cccc(F)c2)CCCC1 ZINC000097465411 852613690 /nfs/dbraw/zinc/61/36/90/852613690.db2.gz ZKBLTFZLTXNGPW-UHFFFAOYSA-N -1 0 406.435 4.032 20 30 HIEDRM COCCn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000195662810 853744703 /nfs/dbraw/zinc/74/47/03/853744703.db2.gz JFQOHRBZNPFXAJ-QGZVFWFLSA-N -1 0 402.479 4.296 20 30 HIEDRM COc1cccc(NC(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)c2ccccc2)c1 ZINC000213728592 853827014 /nfs/dbraw/zinc/82/70/14/853827014.db2.gz CGAGLELEJRHBEG-STZFKDTASA-N -1 0 401.418 4.298 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000225282373 853879310 /nfs/dbraw/zinc/87/93/10/853879310.db2.gz KJJSMIVAMNVBGE-UHFFFAOYSA-N -1 0 412.117 4.490 20 30 HIEDRM CC(=O)Nc1cc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)ccc1F ZINC000236585744 853900359 /nfs/dbraw/zinc/90/03/59/853900359.db2.gz KGWQMHJURIRRPA-UHFFFAOYSA-N -1 0 416.408 4.134 20 30 HIEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)c1 ZINC000261374626 854238199 /nfs/dbraw/zinc/23/81/99/854238199.db2.gz KEUJFNFFRCZROW-UHFFFAOYSA-N -1 0 423.519 4.166 20 30 HIEDRM CCCOc1ccc(-c2nc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cs2)cc1 ZINC000303145949 854784355 /nfs/dbraw/zinc/78/43/55/854784355.db2.gz VADXCNMNJJAHHD-KRWDZBQOSA-N -1 0 421.526 4.407 20 30 HIEDRM COc1cccc(-n2c([N-]S(=O)(=O)c3ccc(C#N)cc3C)nc3ccccc32)c1 ZINC000437342026 862616560 /nfs/dbraw/zinc/61/65/60/862616560.db2.gz NJWHQJSGHNDSIZ-UHFFFAOYSA-N -1 0 418.478 4.015 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)(F)F ZINC000303840672 855237950 /nfs/dbraw/zinc/23/79/50/855237950.db2.gz MXHICMOACOPKDA-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Br)cc1Cl ZINC000314384974 855376039 /nfs/dbraw/zinc/37/60/39/855376039.db2.gz UEXXELKHYWYFHM-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000318031552 855381750 /nfs/dbraw/zinc/38/17/50/855381750.db2.gz ZZAKIELLYGXOQY-UHFFFAOYSA-N -1 0 403.660 4.223 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000410370386 855956433 /nfs/dbraw/zinc/95/64/33/855956433.db2.gz CRYPJQDCSRBFFR-UHFFFAOYSA-N -1 0 415.696 4.174 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410383220 855964312 /nfs/dbraw/zinc/96/43/12/855964312.db2.gz NZBCXVYXNQWEEL-UHFFFAOYSA-N -1 0 415.309 4.395 20 30 HIEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cn2)cc1OC ZINC000426876923 856523079 /nfs/dbraw/zinc/52/30/79/856523079.db2.gz WYSAVSQLVJSRAA-MRXNPFEDSA-N -1 0 410.499 4.019 20 30 HIEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cn2)cc1OC ZINC000426876922 856523364 /nfs/dbraw/zinc/52/33/64/856523364.db2.gz WYSAVSQLVJSRAA-INIZCTEOSA-N -1 0 410.499 4.019 20 30 HIEDRM N#CCCn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1-c1ccccc1 ZINC000429114722 857516987 /nfs/dbraw/zinc/51/69/87/857516987.db2.gz MPJWWKOFCMUWEP-INIZCTEOSA-N -1 0 409.371 4.368 20 30 HIEDRM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430629740 858241342 /nfs/dbraw/zinc/24/13/42/858241342.db2.gz QTWGRQMMAHGRLT-NSHDSACASA-N -1 0 408.321 4.405 20 30 HIEDRM C=CCC(C)(C)C(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000431263167 858538260 /nfs/dbraw/zinc/53/82/60/858538260.db2.gz JRKLZDFLMKSYBG-UHFFFAOYSA-N -1 0 418.515 4.045 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000432467520 859177276 /nfs/dbraw/zinc/17/72/76/859177276.db2.gz ZMFZTZIFNFBTLH-UHFFFAOYSA-N -1 0 421.265 4.248 20 30 HIEDRM N#CC(=C([O-])c1cc2n(n1)CCCO2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000433126173 859531056 /nfs/dbraw/zinc/53/10/56/859531056.db2.gz NIOZCNGYTODHSK-IGMNZBQBSA-N -1 0 408.527 4.080 20 30 HIEDRM N#CC(=C([O-])c1cc2n(n1)CCCO2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000433126178 859531190 /nfs/dbraw/zinc/53/11/90/859531190.db2.gz NIOZCNGYTODHSK-LBMSDSGBSA-N -1 0 408.527 4.080 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1 ZINC000433499694 859736838 /nfs/dbraw/zinc/73/68/38/859736838.db2.gz DGELEQMYQAXIFD-UHFFFAOYSA-N -1 0 415.496 4.233 20 30 HIEDRM CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(C)C ZINC000433611695 859809220 /nfs/dbraw/zinc/80/92/20/859809220.db2.gz DSHXJCBCIIQGKZ-UHFFFAOYSA-N -1 0 419.934 4.273 20 30 HIEDRM COc1ccc(Cl)cc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000434977959 860584272 /nfs/dbraw/zinc/58/42/72/860584272.db2.gz KWSPIRZJKSYFCX-UHFFFAOYSA-N -1 0 423.281 4.065 20 30 HIEDRM CCCOc1c(Br)cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OC ZINC000435338466 860748296 /nfs/dbraw/zinc/74/82/96/860748296.db2.gz FCEBLLHNINLFDD-XFFZJAGNSA-N -1 0 418.291 4.070 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)c(F)c2)s1 ZINC000435475269 860811946 /nfs/dbraw/zinc/81/19/46/860811946.db2.gz ROJACZDKUFSKIR-UHFFFAOYSA-N -1 0 413.455 4.010 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C)sc2C)cnn1-c1cccc(C#N)c1 ZINC000438815553 864306850 /nfs/dbraw/zinc/30/68/50/864306850.db2.gz VTMZQNOHRJMXRY-UHFFFAOYSA-N -1 0 400.529 4.176 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cccc(Cl)c2F)cnn1-c1cccc(C#N)c1 ZINC000438828216 864322944 /nfs/dbraw/zinc/32/29/44/864322944.db2.gz FVEYDIRITWPDIO-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM N#CCC[C@H](NC(=O)N=c1nc(SCc2ccccc2)[n-]s1)c1ccccc1 ZINC000439478137 864845627 /nfs/dbraw/zinc/84/56/27/864845627.db2.gz LUDUFMCHPHOIEZ-KRWDZBQOSA-N -1 0 409.540 4.419 20 30 HIEDRM COCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(-c2ccccc2)s1 ZINC000442032461 867075331 /nfs/dbraw/zinc/07/53/31/867075331.db2.gz OCZXYKRFIFYKOK-HNNXBMFYSA-N -1 0 402.479 4.333 20 30 HIEDRM COCc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(-c2ccccc2)s1 ZINC000442510907 867489920 /nfs/dbraw/zinc/48/99/20/867489920.db2.gz CXKDVZIBFNXHEV-HNNXBMFYSA-N -1 0 400.463 4.390 20 30 HIEDRM N#CC(=C([O-])c1ncoc1-c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000442620403 867563888 /nfs/dbraw/zinc/56/38/88/867563888.db2.gz WGGWUBJHWGBSKD-ZDUSSCGKSA-N -1 0 403.419 4.213 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cnn1CCC(C)C ZINC000443405757 867987354 /nfs/dbraw/zinc/98/73/54/867987354.db2.gz CBDCCIKXYGNAIR-UHFFFAOYSA-N -1 0 414.453 4.183 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cnn1-c1ccccc1F ZINC000443408428 867990563 /nfs/dbraw/zinc/99/05/63/867990563.db2.gz HKNMBAQAMPEBQQ-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443407804 867990666 /nfs/dbraw/zinc/99/06/66/867990666.db2.gz IUUMNIIYWZBYCO-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM O=S(=O)([N-]c1ccc(F)cc1OCCC(F)(F)F)c1cc(F)c(F)cc1F ZINC000443534246 868091593 /nfs/dbraw/zinc/09/15/93/868091593.db2.gz YTSGMJMQOMZNCC-UHFFFAOYSA-N -1 0 417.302 4.375 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)c(Cl)c1 ZINC000443535889 868093697 /nfs/dbraw/zinc/09/36/97/868093697.db2.gz VNUGBEUSOUXUHU-UHFFFAOYSA-N -1 0 422.787 4.483 20 30 HIEDRM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000468516334 882525401 /nfs/dbraw/zinc/52/54/01/882525401.db2.gz LSLHIXLXNLSRQX-CQSZACIVSA-N -1 0 422.934 4.356 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1ccc(C#N)cc1 ZINC000447633772 871546815 /nfs/dbraw/zinc/54/68/15/871546815.db2.gz GBZIJKQRSMRQHG-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2noc3ccc(C(F)(F)F)cc32)ccc1Cl ZINC000460587128 873324940 /nfs/dbraw/zinc/32/49/40/873324940.db2.gz SPQCCYYZDLDVDJ-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM N#Cc1ccc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)c(C(F)(F)F)c1 ZINC000461196597 874195753 /nfs/dbraw/zinc/19/57/53/874195753.db2.gz LTXCWAWFBSFLJH-UHFFFAOYSA-N -1 0 410.371 4.332 20 30 HIEDRM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000463516603 876581547 /nfs/dbraw/zinc/58/15/47/876581547.db2.gz HSAPOMZJYSEQFE-UHFFFAOYSA-N -1 0 414.405 4.175 20 30 HIEDRM CSc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1Cl ZINC000463519101 876585560 /nfs/dbraw/zinc/58/55/60/876585560.db2.gz AMSVSEDYXCMBGQ-UHFFFAOYSA-N -1 0 404.847 4.336 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)cc1 ZINC000463527313 876598689 /nfs/dbraw/zinc/59/86/89/876598689.db2.gz KBXMWYHDHBGVLB-UHFFFAOYSA-N -1 0 405.435 4.032 20 30 HIEDRM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000464300157 877488784 /nfs/dbraw/zinc/48/87/84/877488784.db2.gz YMJLIRBMASCOFV-ZDUSSCGKSA-N -1 0 421.316 4.480 20 30 HIEDRM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000464409509 877613247 /nfs/dbraw/zinc/61/32/47/877613247.db2.gz KLJADODRTZDAMA-UHFFFAOYSA-N -1 0 410.499 4.031 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000464411772 877616727 /nfs/dbraw/zinc/61/67/27/877616727.db2.gz QQYGOTBUUGRKHH-UHFFFAOYSA-N -1 0 410.499 4.292 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1c(F)cccc1F ZINC000464412329 877618541 /nfs/dbraw/zinc/61/85/41/877618541.db2.gz RNMQYQWXWFVNIV-GFCCVEGCSA-N -1 0 406.314 4.363 20 30 HIEDRM CSc1ccc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)cc1Cl ZINC000464418711 877626373 /nfs/dbraw/zinc/62/63/73/877626373.db2.gz BLVQGBYQWNMWTE-UHFFFAOYSA-N -1 0 405.979 4.243 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc(Cl)c1 ZINC000464463285 877684840 /nfs/dbraw/zinc/68/48/40/877684840.db2.gz FJURCBVSMGSJIO-AWEZNQCLSA-N -1 0 419.794 4.387 20 30 HIEDRM N#CC(=C([O-])c1ccc2nncn2c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000503434664 912439714 /nfs/dbraw/zinc/43/97/14/912439714.db2.gz URPMBSLGVSPNMW-DCJJRUGTSA-N -1 0 403.511 4.144 20 30 HIEDRM C=C(C)C[C@H](C)C(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000466763359 880542769 /nfs/dbraw/zinc/54/27/69/880542769.db2.gz YMSFTHCZAMFZKG-AWEZNQCLSA-N -1 0 406.479 4.176 20 30 HIEDRM CC(C)(C#N)CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000469513675 883773822 /nfs/dbraw/zinc/77/38/22/883773822.db2.gz LAAUHUSESCBETR-UHFFFAOYSA-N -1 0 409.870 4.158 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-c4n[nH]c(C)n4)cc3)n2)cc1 ZINC000470568709 884987233 /nfs/dbraw/zinc/98/72/33/884987233.db2.gz FGHSAPGZRDWVGP-SFHVURJKSA-N -1 0 415.478 4.402 20 30 HIEDRM CCc1cccc(Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cn2)c1 ZINC000471119252 885654247 /nfs/dbraw/zinc/65/42/47/885654247.db2.gz QKBUAODULWLQSR-UHFFFAOYSA-N -1 0 424.438 4.017 20 30 HIEDRM Cc1cn([C@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000471580114 886291335 /nfs/dbraw/zinc/29/13/35/886291335.db2.gz FIBMCRSPXFOUTJ-CQSZACIVSA-N -1 0 400.891 4.127 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2occc2CS(=O)(=O)c2ccccc2)n1 ZINC000474431706 889297623 /nfs/dbraw/zinc/29/76/23/889297623.db2.gz FHBZTMUCDADPLE-MRXNPFEDSA-N -1 0 414.508 4.323 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1ccc(F)cc1F ZINC000504589173 913349480 /nfs/dbraw/zinc/34/94/80/913349480.db2.gz IFRPABKRNLAITQ-OAHLLOKOSA-N -1 0 421.432 4.468 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)nn1-c1ccc(Cl)c(Cl)c1 ZINC000475816501 890752171 /nfs/dbraw/zinc/75/21/71/890752171.db2.gz UYLKZMOJFBYIDW-UHFFFAOYSA-N -1 0 421.309 4.354 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2N(C)Cc2ccccc2)cc1C#N ZINC000476878406 891838293 /nfs/dbraw/zinc/83/82/93/891838293.db2.gz HNXYAMIOVYUWFP-UHFFFAOYSA-N -1 0 404.495 4.269 20 30 HIEDRM Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000477372357 892333765 /nfs/dbraw/zinc/33/37/65/892333765.db2.gz JPDDUIHIUMGXKZ-UHFFFAOYSA-N -1 0 412.437 4.159 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000479124696 894392869 /nfs/dbraw/zinc/39/28/69/894392869.db2.gz SGEDUGBMHDXNII-UHFFFAOYSA-N -1 0 419.222 4.226 20 30 HIEDRM COc1ccc(Cl)cc1-c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000479160016 894429090 /nfs/dbraw/zinc/42/90/90/894429090.db2.gz PWPAIUUZDSLLGG-UHFFFAOYSA-N -1 0 423.281 4.065 20 30 HIEDRM N#Cc1cccc(COc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cc2)c1 ZINC000479487692 894809875 /nfs/dbraw/zinc/80/98/75/894809875.db2.gz INLQJRNJBGDXGT-UHFFFAOYSA-N -1 0 423.881 4.463 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cc1Cl ZINC000505298533 913957785 /nfs/dbraw/zinc/95/77/85/913957785.db2.gz AWEOVSVIQKYJJV-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2cccc(C#N)c2)cnn1-c1ccc(Cl)cc1 ZINC000480199091 895597301 /nfs/dbraw/zinc/59/73/01/895597301.db2.gz KALOPIBXKQCDJI-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1C ZINC000481586547 896965946 /nfs/dbraw/zinc/96/59/46/896965946.db2.gz LTMYXEIOWOGYLF-ZDUSSCGKSA-N -1 0 405.501 4.407 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000481621102 897004605 /nfs/dbraw/zinc/00/46/05/897004605.db2.gz NGQYDCZHDHREBT-LLVKDONJSA-N -1 0 401.435 4.153 20 30 HIEDRM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3cnc4ccccc4n3)c12 ZINC000483192662 898849695 /nfs/dbraw/zinc/84/96/95/898849695.db2.gz DOLCPYMQSQFAQD-GOSISDBHSA-N -1 0 418.460 4.377 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnc2ccccc2n1 ZINC000483200145 898855321 /nfs/dbraw/zinc/85/53/21/898855321.db2.gz NJEMFUIAGXMQGQ-LJQANCHMSA-N -1 0 416.444 4.368 20 30 HIEDRM CN(C(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1)c1ccccc1 ZINC000483203421 898856977 /nfs/dbraw/zinc/85/69/77/898856977.db2.gz RUCHAKVOXSXNPO-HXUWFJFHSA-N -1 0 406.445 4.396 20 30 HIEDRM COc1ccc(C(=O)c2ccccc2C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000483212214 898862014 /nfs/dbraw/zinc/86/20/14/898862014.db2.gz IUNAAWINACLOSY-FQEVSTJZSA-N -1 0 407.429 4.359 20 30 HIEDRM N#CC(=C([O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cnc2ccccc2n1 ZINC000483233659 898877516 /nfs/dbraw/zinc/87/75/16/898877516.db2.gz PYQDSUDWDAKPBW-CQSZACIVSA-N -1 0 401.407 4.152 20 30 HIEDRM CCc1ccc(-n2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c3c2CCC3)cc1 ZINC000483234909 898878727 /nfs/dbraw/zinc/87/87/27/898878727.db2.gz WMAMTLXHTCHGKY-IBGZPJMESA-N -1 0 407.477 4.357 20 30 HIEDRM Cc1cc(C)nc(-n2cc(C([O-])=C(C#N)c3nccc4ccccc43)c(C(C)C)n2)n1 ZINC000483244250 898887178 /nfs/dbraw/zinc/88/71/78/898887178.db2.gz WTGAONCJLDZOLO-LJQANCHMSA-N -1 0 410.481 4.441 20 30 HIEDRM N#CC(=C([O-])c1cnnn1-c1c(Cl)cccc1Cl)c1cnc2ccccc2n1 ZINC000483993785 899633588 /nfs/dbraw/zinc/63/35/88/899633588.db2.gz LVHFTZICPJQSQS-LLVKDONJSA-N -1 0 409.236 4.007 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)n[nH]2)cc1 ZINC000484107344 899733074 /nfs/dbraw/zinc/73/30/74/899733074.db2.gz GSLFKYQJKJMPMW-MRXNPFEDSA-N -1 0 401.451 4.094 20 30 HIEDRM C[C@@H](C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccc(C#N)c1 ZINC000486008572 901220430 /nfs/dbraw/zinc/22/04/30/901220430.db2.gz RXRYNEBKJWDLRN-MRXNPFEDSA-N -1 0 405.479 4.101 20 30 HIEDRM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1C#N ZINC000488441238 902827418 /nfs/dbraw/zinc/82/74/18/902827418.db2.gz RKRSKXOEDHPSSH-INIZCTEOSA-N -1 0 420.918 4.269 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3s2)nnn1Cc1ccc(F)cc1 ZINC000489833316 903618642 /nfs/dbraw/zinc/61/86/42/903618642.db2.gz AARRZXNITYIITC-HNNXBMFYSA-N -1 0 405.458 4.128 20 30 HIEDRM C=CCC(C)(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1C ZINC000489862745 903636141 /nfs/dbraw/zinc/63/61/41/903636141.db2.gz WSKYKVXBACOAMG-UHFFFAOYSA-N -1 0 416.543 4.137 20 30 HIEDRM N#Cc1ccc(Cn2cnc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)n2)cc1 ZINC000490311343 903893174 /nfs/dbraw/zinc/89/31/74/903893174.db2.gz SIYRAKDJOCTDEZ-UHFFFAOYSA-N -1 0 421.526 4.047 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nc2ccccc2n1C(F)F ZINC000490721267 904192758 /nfs/dbraw/zinc/19/27/58/904192758.db2.gz RRJDCGAVKDPMIX-GFCCVEGCSA-N -1 0 422.351 4.015 20 30 HIEDRM COc1ccc(-c2cc3[n-]c(CN(C)Cc4ccc(C#N)cc4)nc(=O)c3s2)cc1 ZINC000506131855 914816623 /nfs/dbraw/zinc/81/66/23/914816623.db2.gz QKWOFSQHQCVUAR-UHFFFAOYSA-N -1 0 416.506 4.164 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000491601146 904669236 /nfs/dbraw/zinc/66/92/36/904669236.db2.gz JBWGVJBSIXRLKE-UHFFFAOYSA-N -1 0 414.712 4.207 20 30 HIEDRM CCn1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)n1 ZINC000495189769 906297976 /nfs/dbraw/zinc/29/79/76/906297976.db2.gz HLZDHRUEXIEXTG-GFCCVEGCSA-N -1 0 401.835 4.078 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc4c(c([N+](=O)[O-])c3)OCO4)n2)cc1 ZINC000496567141 906710579 /nfs/dbraw/zinc/71/05/79/906710579.db2.gz CVDBBYIYSHUFOG-CQSZACIVSA-N -1 0 407.407 4.246 20 30 HIEDRM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1 ZINC000497366602 906856834 /nfs/dbraw/zinc/85/68/34/906856834.db2.gz UCQQEDODEQCERH-KRWDZBQOSA-N -1 0 415.478 4.161 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2ccccc2OCc2ccccc2)cc1C#N ZINC000498832659 908240974 /nfs/dbraw/zinc/24/09/74/908240974.db2.gz UWWNBDWWFUQTTD-OAHLLOKOSA-N -1 0 419.506 4.451 20 30 HIEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1-c1ccccc1Cl ZINC000499159300 908514639 /nfs/dbraw/zinc/51/46/39/908514639.db2.gz VLJCNOCZEQLCJC-AWEZNQCLSA-N -1 0 418.888 4.421 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000512959047 921438061 /nfs/dbraw/zinc/43/80/61/921438061.db2.gz SFYBUVNDZFYLPW-CYBMUJFWSA-N -1 0 415.471 4.381 20 30 HIEDRM Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000499505311 908821105 /nfs/dbraw/zinc/82/11/05/908821105.db2.gz MNEHKGOMHSGHKJ-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)c2)c1 ZINC000502822192 911837173 /nfs/dbraw/zinc/83/71/73/911837173.db2.gz CAFHGJAORWWNLS-UHFFFAOYSA-N -1 0 423.881 4.463 20 30 HIEDRM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502838971 911851294 /nfs/dbraw/zinc/85/12/94/911851294.db2.gz MLTHETINMZHGRD-VWLOTQADSA-N -1 0 410.948 4.060 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c(Cl)c1 ZINC000502842904 911852884 /nfs/dbraw/zinc/85/28/84/911852884.db2.gz UQYOKTKJQRIEGR-UHFFFAOYSA-N -1 0 405.888 4.048 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccccc2Sc2ccccc2)cc1C#N ZINC000503073563 912041016 /nfs/dbraw/zinc/04/10/16/912041016.db2.gz MOCRHDRSLZPIRW-UHFFFAOYSA-N -1 0 407.520 4.462 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1C#N ZINC000506606477 915259900 /nfs/dbraw/zinc/25/99/00/915259900.db2.gz GWZXVAFSHPJYJO-UHFFFAOYSA-N -1 0 415.368 4.103 20 30 HIEDRM N#Cc1cc(Cl)ccc1-n1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)n1 ZINC000507932777 916805937 /nfs/dbraw/zinc/80/59/37/916805937.db2.gz ACRVOJPNJNQYPN-UHFFFAOYSA-N -1 0 421.309 4.035 20 30 HIEDRM Cc1c(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)cnn1-c1ccc(Cl)cc1 ZINC000508110405 916926123 /nfs/dbraw/zinc/92/61/23/916926123.db2.gz DHDHIZHCXQDOLW-UHFFFAOYSA-N -1 0 423.885 4.055 20 30 HIEDRM C=C(C)CCc1noc(-c2ccc(F)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)n1 ZINC000508613310 917382559 /nfs/dbraw/zinc/38/25/59/917382559.db2.gz DCRNNQFWZZGMQX-UHFFFAOYSA-N -1 0 417.462 4.194 20 30 HIEDRM CSc1cccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000509213050 917914107 /nfs/dbraw/zinc/91/41/07/917914107.db2.gz TVLCBDWQIVGXMZ-UHFFFAOYSA-N -1 0 401.538 4.128 20 30 HIEDRM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000509242386 917937090 /nfs/dbraw/zinc/93/70/90/917937090.db2.gz WJMJVIPZIPLDSA-UHFFFAOYSA-N -1 0 423.336 4.050 20 30 HIEDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc21 ZINC000509603345 918253883 /nfs/dbraw/zinc/25/38/83/918253883.db2.gz QMMBTAWVVQNRSP-UHFFFAOYSA-N -1 0 408.405 4.308 20 30 HIEDRM N#Cc1ccc(Cl)c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000509854341 918456458 /nfs/dbraw/zinc/45/64/58/918456458.db2.gz NIBUBBDJZCLERS-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM N#Cc1c(F)cccc1-n1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000510097779 918663373 /nfs/dbraw/zinc/66/33/73/918663373.db2.gz FORSKJWZGLMARP-UHFFFAOYSA-N -1 0 417.274 4.052 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3C#N)n2)cc1C(F)(F)F ZINC000510119577 918679649 /nfs/dbraw/zinc/67/96/49/918679649.db2.gz PSXGQNUXRPFUOQ-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000511274943 919871870 /nfs/dbraw/zinc/87/18/70/919871870.db2.gz DCASRFZZPOPBOQ-UHFFFAOYSA-N -1 0 409.851 4.016 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000511731094 920396667 /nfs/dbraw/zinc/39/66/67/920396667.db2.gz WKSSXVBNLBHUBL-UHFFFAOYSA-N -1 0 404.797 4.430 20 30 HIEDRM N#Cc1ccccc1COc1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1 ZINC000515706077 923288190 /nfs/dbraw/zinc/28/81/90/923288190.db2.gz ZYDQUJDCQZYFAC-UHFFFAOYSA-N -1 0 412.474 4.330 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nnn1-c1ccc(C)cc1 ZINC000517305651 924091829 /nfs/dbraw/zinc/09/18/29/924091829.db2.gz DGRVKDBJARLFNR-HNNXBMFYSA-N -1 0 406.396 4.119 20 30 HIEDRM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000517800657 926841981 /nfs/dbraw/zinc/84/19/81/926841981.db2.gz AGGNYILNSJCMGP-JMQGSBJISA-N -1 0 405.504 4.050 20 30 HIEDRM COCCOc1ccccc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000517800687 926842306 /nfs/dbraw/zinc/84/23/06/926842306.db2.gz BCTKRJPAVLJALB-SFHVURJKSA-N -1 0 408.479 4.334 20 30 HIEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000517800658 926842408 /nfs/dbraw/zinc/84/24/08/926842408.db2.gz AGGNYILNSJCMGP-KWMCUTETSA-N -1 0 405.504 4.050 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000517919038 926890610 /nfs/dbraw/zinc/89/06/10/926890610.db2.gz YRCLYRPYXBOREW-LBPRGKRZSA-N -1 0 401.444 4.016 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2NC(=O)c2ccccc2)n1 ZINC000517925204 926891900 /nfs/dbraw/zinc/89/19/00/926891900.db2.gz GKCXPOZCQMUEEU-MRXNPFEDSA-N -1 0 419.462 4.062 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518241322 927102660 /nfs/dbraw/zinc/10/26/60/927102660.db2.gz CXKARLAOCGSMAL-NSHDSACASA-N -1 0 411.892 4.443 20 30 HIEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c(Cl)c1 ZINC000518741498 927468916 /nfs/dbraw/zinc/46/89/16/927468916.db2.gz FLAIUGZWKKZZKR-GFCCVEGCSA-N -1 0 424.931 4.322 20 30 HIEDRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1Cl ZINC000519217363 927832239 /nfs/dbraw/zinc/83/22/39/927832239.db2.gz DFMRCHQZNDTFJN-UHFFFAOYSA-N -1 0 409.870 4.039 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Sc3ccccn3)cc2)n1 ZINC000521553709 929292186 /nfs/dbraw/zinc/29/21/86/929292186.db2.gz ZXRROMPADZGLKD-OAHLLOKOSA-N -1 0 409.492 4.356 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Sc3ccccn3)cc2)n1 ZINC000521553704 929292458 /nfs/dbraw/zinc/29/24/58/929292458.db2.gz ZXRROMPADZGLKD-HNNXBMFYSA-N -1 0 409.492 4.356 20 30 HIEDRM Cc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])c2)c1 ZINC000524966257 929930328 /nfs/dbraw/zinc/93/03/28/929930328.db2.gz IHIVFRIPYPJSLS-UHFFFAOYSA-N -1 0 423.450 4.155 20 30 HIEDRM Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000525471371 930261889 /nfs/dbraw/zinc/26/18/89/930261889.db2.gz IWFYBXDUVPAUHN-UHFFFAOYSA-N -1 0 420.469 4.360 20 30 HIEDRM N#CC(=C([O-])c1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1nc2ccccc2o1 ZINC000525514051 930294744 /nfs/dbraw/zinc/29/47/44/930294744.db2.gz DFQNVTYUJSBXEZ-LJQANCHMSA-N -1 0 416.458 4.292 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc3ccccc3o2)cnn1-c1cccc(C#N)c1 ZINC000526125344 930540024 /nfs/dbraw/zinc/54/00/24/930540024.db2.gz VOFJISSRKWKDCO-UHFFFAOYSA-N -1 0 406.467 4.243 20 30 HIEDRM Cn1ncc2cc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cnc21 ZINC000530863980 930842944 /nfs/dbraw/zinc/84/29/44/930842944.db2.gz UXCNWDOOYVJEII-KGASDJBWSA-N -1 0 417.538 4.383 20 30 HIEDRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(OCC(F)(F)F)c(C#N)c3)c2n1 ZINC000531248024 930981888 /nfs/dbraw/zinc/98/18/88/930981888.db2.gz IMIDSOIJWOBSDK-UHFFFAOYSA-N -1 0 421.400 4.157 20 30 HIEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000532622381 931557473 /nfs/dbraw/zinc/55/74/73/931557473.db2.gz JQACAKJIJPKJHM-UHFFFAOYSA-N -1 0 409.667 4.476 20 30 HIEDRM C[C@@H](C#N)CN(C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])C1CC1 ZINC000533150533 931787410 /nfs/dbraw/zinc/78/74/10/931787410.db2.gz HBZSVWLDDUHDNF-JTQLQIEISA-N -1 0 412.799 4.014 20 30 HIEDRM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1C1CC1 ZINC000534974065 932870725 /nfs/dbraw/zinc/87/07/25/932870725.db2.gz KIDLMVGXSXRVRZ-LLVKDONJSA-N -1 0 412.437 4.423 20 30 HIEDRM CCc1csc(-n2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cn2)n1 ZINC000535691192 933346101 /nfs/dbraw/zinc/34/61/01/933346101.db2.gz UUAIQVWEMNPIOU-ZDUSSCGKSA-N -1 0 412.425 4.126 20 30 HIEDRM N#CC(=C([O-])c1cnn2cc(Br)cnc12)c1nc(-c2ccccc2)cs1 ZINC000537667093 938350159 /nfs/dbraw/zinc/35/01/59/938350159.db2.gz XIUXHSWJZMOLDY-ZDUSSCGKSA-N -1 0 424.283 4.105 20 30 HIEDRM C=C[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000761806890 939068642 /nfs/dbraw/zinc/06/86/42/939068642.db2.gz CHQSUKJKUKXNMU-VLIAUNLRSA-N -1 0 402.288 4.225 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c2cnn(C(C)C)c2n1 ZINC000540779009 939369682 /nfs/dbraw/zinc/36/96/82/939369682.db2.gz CRLVHAOQUYPPPE-MRXNPFEDSA-N -1 0 402.483 4.329 20 30 HIEDRM COc1c2cnn(C)c2ncc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000541353922 939496067 /nfs/dbraw/zinc/49/60/67/939496067.db2.gz CWKTYQCORFYYBN-ZDUSSCGKSA-N -1 0 423.885 4.244 20 30 HIEDRM Cc1cc(-c2nc(C3CC3)no2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000542236797 939770451 /nfs/dbraw/zinc/77/04/51/939770451.db2.gz PENILBNFDSTWRM-UHFFFAOYSA-N -1 0 414.874 4.248 20 30 HIEDRM N#Cc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])o2)cc1 ZINC000542763133 939859578 /nfs/dbraw/zinc/85/95/78/939859578.db2.gz KQKGSOYUIWZBRW-UHFFFAOYSA-N -1 0 413.773 4.250 20 30 HIEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000543913258 940241533 /nfs/dbraw/zinc/24/15/33/940241533.db2.gz IJPGDAWBUQLMTC-UHFFFAOYSA-N -1 0 423.885 4.055 20 30 HIEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000543985841 940284247 /nfs/dbraw/zinc/28/42/47/940284247.db2.gz KDJFGDQKBUHSFV-MRXNPFEDSA-N -1 0 403.442 4.328 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1cc(F)c(OC)cc1F ZINC000544146010 940337886 /nfs/dbraw/zinc/33/78/86/940337886.db2.gz DLQJLOBKLJKVTC-GFCCVEGCSA-N -1 0 416.453 4.367 20 30 HIEDRM N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)c(F)c([O-])c3F)s2)cc1 ZINC000544519936 940470208 /nfs/dbraw/zinc/47/02/08/940470208.db2.gz OUDGUKJMEXIARW-UHFFFAOYSA-N -1 0 422.413 4.077 20 30 HIEDRM Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C([O-])=C(C#N)c1ccncn1 ZINC000546152445 940714903 /nfs/dbraw/zinc/71/49/03/940714903.db2.gz ZNPWIVHCONDUCX-ZDUSSCGKSA-N -1 0 414.849 4.381 20 30 HIEDRM COCCOc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)cc1 ZINC000546540417 940847487 /nfs/dbraw/zinc/84/74/87/940847487.db2.gz OWWHCIGXYZHHAW-UHFFFAOYSA-N -1 0 424.478 4.177 20 30 HIEDRM Cc1c(C2CC2)nc2ccc(Br)cc2c1C([O-])=C(C#N)c1ccncn1 ZINC000546859701 940896777 /nfs/dbraw/zinc/89/67/77/940896777.db2.gz PKYIOOVMQUXBFF-HNNXBMFYSA-N -1 0 407.271 4.463 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C)nn(CC(F)F)c3C)n2)cc1 ZINC000546929363 940916373 /nfs/dbraw/zinc/91/63/73/940916373.db2.gz DAZYOMYLXIGHSY-HNNXBMFYSA-N -1 0 416.453 4.387 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnc1N1CCCC[C@@H]1C ZINC000547271879 941049569 /nfs/dbraw/zinc/04/95/69/941049569.db2.gz BERBNENYESRXJP-AWEZNQCLSA-N -1 0 404.923 4.095 20 30 HIEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)CCc3cccc(Cl)c3)n2)cc1 ZINC000551940551 941562367 /nfs/dbraw/zinc/56/23/67/941562367.db2.gz SIWJEUIXBIULBV-UHFFFAOYSA-N -1 0 403.916 4.320 20 30 HIEDRM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1 ZINC000558084122 943375778 /nfs/dbraw/zinc/37/57/78/943375778.db2.gz IRBNNVFGOWIEKK-HNNXBMFYSA-N -1 0 422.350 4.300 20 30 HIEDRM N#Cc1cc(Oc2ccc([N-]S(=O)(=O)c3c[nH]c4cccc(F)c43)cc2)ccn1 ZINC000558593491 943612102 /nfs/dbraw/zinc/61/21/02/943612102.db2.gz VARFLWAUMDZBSB-UHFFFAOYSA-N -1 0 408.414 4.167 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)sc1C(F)(F)F ZINC000559775041 944048514 /nfs/dbraw/zinc/04/85/14/944048514.db2.gz CWXKMPNCLIGCOE-UHFFFAOYSA-N -1 0 408.320 4.429 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(Br)c1OC ZINC000560227835 944201543 /nfs/dbraw/zinc/20/15/43/944201543.db2.gz AOPNCABWAUITJM-LLVKDONJSA-N -1 0 401.216 4.098 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)ccc1Cl ZINC000565796074 945885378 /nfs/dbraw/zinc/88/53/78/945885378.db2.gz WRELADOSTCHMCD-UHFFFAOYSA-N -1 0 407.225 4.310 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cc4c(s3)CCCC4)o2)cc1Cl ZINC000567213030 946273985 /nfs/dbraw/zinc/27/39/85/946273985.db2.gz KKCSELXFUQVPHV-UHFFFAOYSA-N -1 0 420.903 4.003 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)cc1C#N ZINC000567358172 946315227 /nfs/dbraw/zinc/31/52/27/946315227.db2.gz DYMAOGLCKLOPTC-OAHLLOKOSA-N -1 0 423.416 4.160 20 30 HIEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000572176121 947857283 /nfs/dbraw/zinc/85/72/83/947857283.db2.gz KVCYYABXULWOQN-UHFFFAOYSA-N -1 0 402.863 4.021 20 30 HIEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1C1CC1 ZINC000574841371 948540332 /nfs/dbraw/zinc/54/03/32/948540332.db2.gz WSXUJJFPJQRHPL-UHFFFAOYSA-N -1 0 412.437 4.108 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CSc2ccc(C(C)(C)C)cc2)n1 ZINC000012961361 845900142 /nfs/dbraw/zinc/90/01/42/845900142.db2.gz LXAICSFQUJAIAG-INIZCTEOSA-N -1 0 402.541 4.261 20 30 HIEDRM COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)o1 ZINC000013066872 845903700 /nfs/dbraw/zinc/90/37/00/845903700.db2.gz QZRWSRJBBZAWLD-CSKARUKUSA-N -1 0 420.417 4.265 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)COc2ccc(Cl)c3ccccc23)n1 ZINC000019486268 846366002 /nfs/dbraw/zinc/36/60/02/846366002.db2.gz YZDJMHTURPZJIT-OAHLLOKOSA-N -1 0 414.870 4.057 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3OCC(=O)N(C)C)n2)cc1 ZINC000041512133 848223485 /nfs/dbraw/zinc/22/34/85/848223485.db2.gz YBGWDABNRRHNNG-SFHVURJKSA-N -1 0 419.506 4.076 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000041548081 848230006 /nfs/dbraw/zinc/23/00/06/848230006.db2.gz JZRUTLOYNMKFJD-ZDUSSCGKSA-N -1 0 418.478 4.124 20 30 HIEDRM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc2NC1=O ZINC000041559647 848233217 /nfs/dbraw/zinc/23/32/17/848233217.db2.gz CZZKPXXZOMQEEV-JQWIXIFHSA-N -1 0 412.421 4.354 20 30 HIEDRM N#Cc1cc(NC(=O)c2cc(Br)c([O-])c(Br)c2)ccc1F ZINC000436770633 861959246 /nfs/dbraw/zinc/95/92/46/861959246.db2.gz PSZVYOQFLVARJR-UHFFFAOYSA-N -1 0 414.028 4.180 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000048853143 849274811 /nfs/dbraw/zinc/27/48/11/849274811.db2.gz FYNAKFILHVJYKS-GOSISDBHSA-N -1 0 403.507 4.342 20 30 HIEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393222 849308683 /nfs/dbraw/zinc/30/86/83/849308683.db2.gz PPYGMWUANRYONE-OAHLLOKOSA-N -1 0 418.844 4.396 20 30 HIEDRM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000049616420 849314497 /nfs/dbraw/zinc/31/44/97/849314497.db2.gz JJYTWYATFWVJPD-UHFFFAOYSA-N -1 0 414.321 4.284 20 30 HIEDRM Cc1nn(-c2ccc(F)cc2)c2sc(/C([O-])=N/c3nc(-c4ccccn4)n[nH]3)cc12 ZINC000053524799 849726913 /nfs/dbraw/zinc/72/69/13/849726913.db2.gz DJPUSVBSPQNFMC-UHFFFAOYSA-N -1 0 419.445 4.351 20 30 HIEDRM N#CC(=C([O-])c1ccc(CNC(=O)c2cccs2)cc1)c1nc2ccccc2o1 ZINC000054736073 849915634 /nfs/dbraw/zinc/91/56/34/849915634.db2.gz UZWYAYBQEVXAMU-MRXNPFEDSA-N -1 0 401.447 4.309 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1-n1cccc1)c1nc2ccccc2o1 ZINC000054736276 849916873 /nfs/dbraw/zinc/91/68/73/849916873.db2.gz COZGGOOTGJZIRN-HNNXBMFYSA-N -1 0 411.396 4.433 20 30 HIEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c1 ZINC000055591878 850067322 /nfs/dbraw/zinc/06/73/22/850067322.db2.gz XMJVODZEOWQDHY-UHFFFAOYSA-N -1 0 416.462 4.403 20 30 HIEDRM N#CCc1ccc(OCc2cccc([N-]S(=O)(=O)c3ccccc3C#N)c2)cc1 ZINC000055629987 850081928 /nfs/dbraw/zinc/08/19/28/850081928.db2.gz JSLFNTIXNOSMMI-UHFFFAOYSA-N -1 0 403.463 4.004 20 30 HIEDRM N#Cc1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)c1 ZINC000055652359 850097604 /nfs/dbraw/zinc/09/76/04/850097604.db2.gz ICTQTNQIUAWVIZ-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000055664256 850103002 /nfs/dbraw/zinc/10/30/02/850103002.db2.gz LRYPXPAXZDYUTH-UHFFFAOYSA-N -1 0 414.433 4.411 20 30 HIEDRM N#CCc1ccc(OCc2ccccc2[N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000055664281 850104503 /nfs/dbraw/zinc/10/45/03/850104503.db2.gz BQNURSOLDMEFKF-UHFFFAOYSA-N -1 0 414.433 4.411 20 30 HIEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)c1 ZINC000057123174 850553569 /nfs/dbraw/zinc/55/35/69/850553569.db2.gz OYISNKNWIUVKCG-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)cc1C#N ZINC000060691301 851192293 /nfs/dbraw/zinc/19/22/93/851192293.db2.gz VPMMYNMWQAGQID-UHFFFAOYSA-N -1 0 420.494 4.115 20 30 HIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCOc2ccc(CCC(C)=O)cc2)cc1 ZINC000060766194 851208339 /nfs/dbraw/zinc/20/83/39/851208339.db2.gz FMBMNLPNFPQEPI-UHFFFAOYSA-N -1 0 417.527 4.275 20 30 HIEDRM CC(=O)c1cccc(OCCCC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000060783143 851212188 /nfs/dbraw/zinc/21/21/88/851212188.db2.gz VLHMQDXFDQVAST-UHFFFAOYSA-N -1 0 413.495 4.322 20 30 HIEDRM O=C(CSCc1cc(-c2cccs2)on1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000061067406 851287143 /nfs/dbraw/zinc/28/71/43/851287143.db2.gz GRXGSVGNBIVOGG-UHFFFAOYSA-N -1 0 408.526 4.123 20 30 HIEDRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000066002757 852351166 /nfs/dbraw/zinc/35/11/66/852351166.db2.gz QFXWQGKOUKCDSX-UHFFFAOYSA-N -1 0 401.406 4.382 20 30 HIEDRM CC(C)NC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000195662681 853744653 /nfs/dbraw/zinc/74/46/53/853744653.db2.gz ZJQQZNAUJNQFMT-QGZVFWFLSA-N -1 0 405.483 4.225 20 30 HIEDRM N#CC(=C([O-])c1csc(I)c1)c1nc2ccccc2s1 ZINC000216998692 853859463 /nfs/dbraw/zinc/85/94/63/853859463.db2.gz XUMDUIHJERCZMO-SECBINFHSA-N -1 0 410.261 4.452 20 30 HIEDRM CCCc1noc(CCCC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000236978272 853946599 /nfs/dbraw/zinc/94/65/99/853946599.db2.gz AEQKQRKRJXLQBJ-UHFFFAOYSA-N -1 0 417.465 4.082 20 30 HIEDRM CCc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c3c2CCC3)cc1 ZINC000303273266 854845162 /nfs/dbraw/zinc/84/51/62/854845162.db2.gz IAVPSUPPGRUOLS-IBGZPJMESA-N -1 0 409.493 4.300 20 30 HIEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1C ZINC000303349757 854887265 /nfs/dbraw/zinc/88/72/65/854887265.db2.gz NHLWVCQVGBTGRA-CQSZACIVSA-N -1 0 405.501 4.407 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000322440277 855392521 /nfs/dbraw/zinc/39/25/21/855392521.db2.gz BBRZSKRGJFPQHO-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000409562295 855542689 /nfs/dbraw/zinc/54/26/89/855542689.db2.gz QATHYQKEGVTHBA-UHFFFAOYSA-N -1 0 423.441 4.425 20 30 HIEDRM N#Cc1cccc(COc2cccc(CN[C@H](C(=O)[O-])c3c(F)cccc3F)c2)c1 ZINC000426735873 856443000 /nfs/dbraw/zinc/44/30/00/856443000.db2.gz HEMLSFJLPZNXKW-QFIPXVFZSA-N -1 0 408.404 4.331 20 30 HIEDRM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1cccc(OC(F)(F)F)c1F ZINC000427115266 856647484 /nfs/dbraw/zinc/64/74/84/856647484.db2.gz AVMWOSMMPCMANI-UHFFFAOYSA-N -1 0 419.274 4.266 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cc1C#N ZINC000427124215 856653327 /nfs/dbraw/zinc/65/33/27/856653327.db2.gz PFVGUGFAOBOKRQ-FQEVSTJZSA-N -1 0 422.897 4.371 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)(F)F)cc1F ZINC000427196047 856707024 /nfs/dbraw/zinc/70/70/24/856707024.db2.gz JACXDPSSHVKHIQ-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2cnccc2-c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000427788675 856954177 /nfs/dbraw/zinc/95/41/77/856954177.db2.gz KISXWBZJRMASBL-UHFFFAOYSA-N -1 0 418.400 4.143 20 30 HIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cnn1-c1ccccc1C ZINC000429114807 857516470 /nfs/dbraw/zinc/51/64/70/857516470.db2.gz MXDFNVMAMBYMAP-OAHLLOKOSA-N -1 0 422.510 4.257 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2sc(C)cc2C)cnn1-c1cccc(C#N)c1 ZINC000431139341 858466178 /nfs/dbraw/zinc/46/61/78/858466178.db2.gz OMSHBVNZIAVYHI-UHFFFAOYSA-N -1 0 400.529 4.176 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)o1 ZINC000431170432 858484694 /nfs/dbraw/zinc/48/46/94/858484694.db2.gz XQYOKQXZHSBJEV-DDBYQKKSSA-N -1 0 410.495 4.481 20 30 HIEDRM C=C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1)c1ccccc1 ZINC000431455086 858625655 /nfs/dbraw/zinc/62/56/55/858625655.db2.gz GYEOILVIEPUQGR-RDTXWAMCSA-N -1 0 402.288 4.441 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000432080555 858975057 /nfs/dbraw/zinc/97/50/57/858975057.db2.gz VQBYYWFWDNDBAE-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433600807 859804228 /nfs/dbraw/zinc/80/42/28/859804228.db2.gz VEWYXXGFTLISHB-UHFFFAOYSA-N -1 0 420.741 4.268 20 30 HIEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n[nH]1 ZINC000434973229 860582177 /nfs/dbraw/zinc/58/21/77/860582177.db2.gz SECPHSKHQHGRDD-UHFFFAOYSA-N -1 0 406.389 4.076 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1Br ZINC000435141461 860661777 /nfs/dbraw/zinc/66/17/77/860661777.db2.gz PAKFDOMDBYUJMW-UHFFFAOYSA-N -1 0 409.305 4.241 20 30 HIEDRM CC(=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339227 860749333 /nfs/dbraw/zinc/74/93/33/860749333.db2.gz QMBQXIGNXQWINV-RAXLEYEMSA-N -1 0 404.857 4.416 20 30 HIEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)c(OCc2ccccc2)c1 ZINC000435496176 860821882 /nfs/dbraw/zinc/82/18/82/860821882.db2.gz QVOXQELDAITOMP-UHFFFAOYSA-N -1 0 400.481 4.008 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(C#N)s2)cnn1-c1ccccc1Cl ZINC000435500603 860824079 /nfs/dbraw/zinc/82/40/79/860824079.db2.gz HWKHQSKXYOVADN-UHFFFAOYSA-N -1 0 406.920 4.383 20 30 HIEDRM COCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1 ZINC000467835451 881669045 /nfs/dbraw/zinc/66/90/45/881669045.db2.gz UBHMBNSQADSKQP-HNNXBMFYSA-N -1 0 421.407 4.254 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1Br ZINC000438759098 864252304 /nfs/dbraw/zinc/25/23/04/864252304.db2.gz QPANSJUHPLSZBE-UHFFFAOYSA-N -1 0 417.231 4.031 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cccc3cccnc32)cnn1-c1cccc(C#N)c1 ZINC000438832998 864327398 /nfs/dbraw/zinc/32/73/98/864327398.db2.gz DXEWBAIQYOOGPG-UHFFFAOYSA-N -1 0 417.494 4.045 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cnn1-c1cccc(C#N)c1 ZINC000438842347 864336962 /nfs/dbraw/zinc/33/69/62/864336962.db2.gz PBXIBYKWKTVWRU-UHFFFAOYSA-N -1 0 424.526 4.284 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(C)cc2Cl)cnn1-c1cccc(C#N)c1 ZINC000438846410 864341585 /nfs/dbraw/zinc/34/15/85/864341585.db2.gz JSWPJZMWLIMBIC-UHFFFAOYSA-N -1 0 414.918 4.459 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1-c1ccccc1F ZINC000442685074 867618507 /nfs/dbraw/zinc/61/85/07/867618507.db2.gz YDYKUJADJQCOCW-GFCCVEGCSA-N -1 0 424.386 4.204 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1[O-] ZINC000443062334 867807041 /nfs/dbraw/zinc/80/70/41/867807041.db2.gz WTPNZKYXMOGQTD-UHFFFAOYSA-N -1 0 400.257 4.402 20 30 HIEDRM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443439841 868024928 /nfs/dbraw/zinc/02/49/28/868024928.db2.gz CCFLWPSYJGKWNW-MRXNPFEDSA-N -1 0 413.808 4.275 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)cc1Cl ZINC000443525869 868084121 /nfs/dbraw/zinc/08/41/21/868084121.db2.gz BINATAKNGYSBFV-UHFFFAOYSA-N -1 0 422.787 4.483 20 30 HIEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000443966491 868497780 /nfs/dbraw/zinc/49/77/80/868497780.db2.gz BTWCALLCQXSOBO-OAHLLOKOSA-N -1 0 406.788 4.074 20 30 HIEDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1OC ZINC000447778769 871708189 /nfs/dbraw/zinc/70/81/89/871708189.db2.gz RDILKAKVRRAXGQ-UHFFFAOYSA-N -1 0 420.796 4.048 20 30 HIEDRM CCc1ncc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)cc2C)s1 ZINC000460770878 873620287 /nfs/dbraw/zinc/62/02/87/873620287.db2.gz UMTZLYDAGIZANW-UHFFFAOYSA-N -1 0 413.524 4.265 20 30 HIEDRM COc1ccc([C@H](Cc2ccccc2)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000461079107 873984556 /nfs/dbraw/zinc/98/45/56/873984556.db2.gz CQUJHAZOJVYANY-FQEVSTJZSA-N -1 0 419.506 4.103 20 30 HIEDRM N#CCCCOc1cccc(CN=c2nc(Cc3ccc(F)cc3F)[n-]s2)c1 ZINC000461212488 874214331 /nfs/dbraw/zinc/21/43/31/874214331.db2.gz LRQVCLWIKRKNTH-UHFFFAOYSA-N -1 0 400.454 4.124 20 30 HIEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)cc3)cc2=O)cc1 ZINC000468747517 882840440 /nfs/dbraw/zinc/84/04/40/882840440.db2.gz XKLNFLQEIHPUNS-UHFFFAOYSA-N -1 0 410.433 4.390 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1c(F)cccc1F ZINC000468886362 882928317 /nfs/dbraw/zinc/92/83/17/882928317.db2.gz IOCMRYVQXIRPRP-GFCCVEGCSA-N -1 0 406.314 4.363 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1cccc2ncccc21 ZINC000464469273 877690717 /nfs/dbraw/zinc/69/07/17/877690717.db2.gz SAYXEGKBQFXIAF-HNNXBMFYSA-N -1 0 422.370 4.028 20 30 HIEDRM Cc1cc(F)ccc1-n1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1 ZINC000503389640 912372558 /nfs/dbraw/zinc/37/25/58/912372558.db2.gz STFRAIAOLWPECH-CYBMUJFWSA-N -1 0 411.849 4.468 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(C(F)(F)F)c1 ZINC000466281300 880022092 /nfs/dbraw/zinc/02/20/92/880022092.db2.gz QHCKJQSFSVCYQE-UHFFFAOYSA-N -1 0 420.359 4.443 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2COCc2ccccc2)c(F)c1 ZINC000466345354 880101003 /nfs/dbraw/zinc/10/10/03/880101003.db2.gz YTNLGFOFYGYCMC-UHFFFAOYSA-N -1 0 414.433 4.354 20 30 HIEDRM C=CC[C@H](CC)NC(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000466378052 880138528 /nfs/dbraw/zinc/13/85/28/880138528.db2.gz XUNSYSLPKCJWKW-CABCVRRESA-N -1 0 407.561 4.264 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000467336663 881087761 /nfs/dbraw/zinc/08/77/61/881087761.db2.gz QRCJISXBOAHMEY-LBPRGKRZSA-N -1 0 413.528 4.313 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C(=O)OC(C)(C)C)n(-c3ccccc3)n2)n1 ZINC000503566153 912644593 /nfs/dbraw/zinc/64/45/93/912644593.db2.gz DNZOUVICJKSNFF-HNNXBMFYSA-N -1 0 408.483 4.083 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1C(F)(F)F ZINC000470445420 884842417 /nfs/dbraw/zinc/84/24/17/884842417.db2.gz JYTSJYLXESKVCT-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)cc1 ZINC000470449798 884846550 /nfs/dbraw/zinc/84/65/50/884846550.db2.gz NVWNXMREXOWZLL-UHFFFAOYSA-N -1 0 404.875 4.111 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-c4n[nH]c(C)n4)cc3)n2)cc1 ZINC000470568708 884985310 /nfs/dbraw/zinc/98/53/10/884985310.db2.gz FGHSAPGZRDWVGP-GOSISDBHSA-N -1 0 415.478 4.402 20 30 HIEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)n[nH]1 ZINC000470572524 884990078 /nfs/dbraw/zinc/99/00/78/884990078.db2.gz DOYBQCCVGDDYLT-GOSISDBHSA-N -1 0 410.462 4.265 20 30 HIEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cc2)n[nH]1 ZINC000470572525 884990474 /nfs/dbraw/zinc/99/04/74/884990474.db2.gz DOYBQCCVGDDYLT-SFHVURJKSA-N -1 0 410.462 4.265 20 30 HIEDRM CC[C@@H](c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1)c1ccccc1 ZINC000471508938 886210465 /nfs/dbraw/zinc/21/04/65/886210465.db2.gz YFYJPVWXVQYWFV-OAHLLOKOSA-N -1 0 418.931 4.406 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1c(OC)cc(OC)cc1OC ZINC000473773659 888573901 /nfs/dbraw/zinc/57/39/01/888573901.db2.gz CMSZAVVCCPJNKE-UHFFFAOYSA-N -1 0 405.516 4.365 20 30 HIEDRM C=C(C)COCCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000474792031 889648428 /nfs/dbraw/zinc/64/84/28/889648428.db2.gz QSAURCLRBGQENL-UHFFFAOYSA-N -1 0 419.503 4.017 20 30 HIEDRM N#Cc1ccc(CSc2nnc([N-]C(=O)c3c(F)ccc(F)c3F)s2)cc1 ZINC000475599713 890526423 /nfs/dbraw/zinc/52/64/23/890526423.db2.gz ITLCBXUNMUDRHZ-UHFFFAOYSA-N -1 0 406.414 4.372 20 30 HIEDRM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000475798771 890734077 /nfs/dbraw/zinc/73/40/77/890734077.db2.gz RAGULDSGLLGTJT-UHFFFAOYSA-N -1 0 419.934 4.125 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2Oc2ccc(Cl)cc2Cl)cn1 ZINC000475836572 890769748 /nfs/dbraw/zinc/76/97/48/890769748.db2.gz UZTTYCWKMFHTNP-UHFFFAOYSA-N -1 0 421.265 4.248 20 30 HIEDRM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000476405267 891319872 /nfs/dbraw/zinc/31/98/72/891319872.db2.gz BEFNEGBNMVOHSJ-ZDUSSCGKSA-N -1 0 418.540 4.143 20 30 HIEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000476489560 891397643 /nfs/dbraw/zinc/39/76/43/891397643.db2.gz NDYAIGYSWLDVSQ-UHFFFAOYSA-N -1 0 416.462 4.403 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Br)c(Cl)c2)n1 ZINC000477841596 892899737 /nfs/dbraw/zinc/89/97/37/892899737.db2.gz NHRLRHJVRKYASY-VIFPVBQESA-N -1 0 413.680 4.226 20 30 HIEDRM Cc1ccc(I)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000477855148 892915265 /nfs/dbraw/zinc/91/52/65/892915265.db2.gz CIXPXZNXLMRTJJ-ZDUSSCGKSA-N -1 0 402.191 4.231 20 30 HIEDRM C[C@H]1CCN(c2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccn2)C1 ZINC000478536245 893837041 /nfs/dbraw/zinc/83/70/41/893837041.db2.gz JINRIVPDMLNAFQ-HNAYVOBHSA-N -1 0 413.506 4.413 20 30 HIEDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000479136010 894403979 /nfs/dbraw/zinc/40/39/79/894403979.db2.gz QJQZFOALKGGTBD-UHFFFAOYSA-N -1 0 421.309 4.468 20 30 HIEDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C ZINC000479141335 894411060 /nfs/dbraw/zinc/41/10/60/894411060.db2.gz ZTOZXRSMJBSBOA-UHFFFAOYSA-N -1 0 421.309 4.468 20 30 HIEDRM C=CCCCC(=O)Nc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000479544188 894845865 /nfs/dbraw/zinc/84/58/65/894845865.db2.gz MMZGEVTXWRSFED-UHFFFAOYSA-N -1 0 418.515 4.190 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1cccc(Cl)c1 ZINC000480225925 895630924 /nfs/dbraw/zinc/63/09/24/895630924.db2.gz NPMWWTZRIAICEN-UHFFFAOYSA-N -1 0 421.309 4.414 20 30 HIEDRM Cc1nc(-c2ccc(F)c(F)c2)sc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000480944033 896289193 /nfs/dbraw/zinc/28/91/93/896289193.db2.gz XVRVORLXKRZZFJ-GFCCVEGCSA-N -1 0 409.421 4.467 20 30 HIEDRM Cn1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000505414214 914078737 /nfs/dbraw/zinc/07/87/37/914078737.db2.gz JKJOUTYDDXZFBZ-JTQLQIEISA-N -1 0 422.253 4.249 20 30 HIEDRM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000481982042 897375812 /nfs/dbraw/zinc/37/58/12/897375812.db2.gz GAVKQZSKZUQUHM-UHFFFAOYSA-N -1 0 406.872 4.014 20 30 HIEDRM COC(=O)c1ccc(COc2ccc(/C=C\c3nc(C(=O)[O-])ccc3C#N)cc2)cc1 ZINC000505480793 914162591 /nfs/dbraw/zinc/16/25/91/914162591.db2.gz PNKGSEAMYABXAM-SDQBBNPISA-N -1 0 414.417 4.187 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3C)c2C(C)C)n1 ZINC000482577632 898173829 /nfs/dbraw/zinc/17/38/29/898173829.db2.gz MREWKIIMCFEFGW-HNNXBMFYSA-N -1 0 422.510 4.427 20 30 HIEDRM Cc1nn(C)c2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3cnc4ccccc4n3)c12 ZINC000483192665 898849813 /nfs/dbraw/zinc/84/98/13/898849813.db2.gz DOLCPYMQSQFAQD-SFHVURJKSA-N -1 0 418.460 4.377 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2cnn(Cc3cccs3)c2n1 ZINC000483197427 898853701 /nfs/dbraw/zinc/85/37/01/898853701.db2.gz MEQJOKCKPCPEEI-KRWDZBQOSA-N -1 0 424.489 4.283 20 30 HIEDRM COc1c(Br)c(C)sc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483202421 898857025 /nfs/dbraw/zinc/85/70/25/898857025.db2.gz PAECXWUDJXYXTE-SNVBAGLBSA-N -1 0 402.273 4.261 20 30 HIEDRM COc1cccc(C(=O)c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2)c1 ZINC000483213855 898862802 /nfs/dbraw/zinc/86/28/02/898862802.db2.gz WFYOMGINUIBDLA-HXUWFJFHSA-N -1 0 407.429 4.359 20 30 HIEDRM Cc1nn(-c2ccccc2)c2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)ccc12 ZINC000483217518 898864115 /nfs/dbraw/zinc/86/41/15/898864115.db2.gz NLRPLNNCAPSALT-GOSISDBHSA-N -1 0 404.433 4.162 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c3c2CCCC3)cc1 ZINC000483219337 898865109 /nfs/dbraw/zinc/86/51/09/898865109.db2.gz KPVNJGGXVVSYHW-IBGZPJMESA-N -1 0 407.477 4.493 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(-c4cnn(C)c4)s3)n2)cc1 ZINC000483284434 898920580 /nfs/dbraw/zinc/92/05/80/898920580.db2.gz PDAKWMGRBLOXFN-OAHLLOKOSA-N -1 0 421.507 4.166 20 30 HIEDRM N#CC(=C([O-])c1cc2sc(N3CCCC3)nc2s1)c1cnc2ccccc2n1 ZINC000483996066 899635390 /nfs/dbraw/zinc/63/53/90/899635390.db2.gz SUIZZGGPOVLQPY-GFCCVEGCSA-N -1 0 405.508 4.391 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3onc(C(C)C)c32)n1 ZINC000505723006 914403897 /nfs/dbraw/zinc/40/38/97/914403897.db2.gz MCCKPSHSQFIABM-CYBMUJFWSA-N -1 0 424.482 4.347 20 30 HIEDRM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000484570140 900038916 /nfs/dbraw/zinc/03/89/16/900038916.db2.gz QPHXRMHRBLPJDL-CYBMUJFWSA-N -1 0 422.503 4.197 20 30 HIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000485386106 900681901 /nfs/dbraw/zinc/68/19/01/900681901.db2.gz WFIVGKIEPSHFIF-UHFFFAOYSA-N -1 0 415.259 4.329 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)ccc1OCC(F)(F)F ZINC000485434488 900731356 /nfs/dbraw/zinc/73/13/56/900731356.db2.gz FHJZKLUZTDVNHV-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)C2CCC2)cc1 ZINC000486104677 901292211 /nfs/dbraw/zinc/29/22/11/901292211.db2.gz XISMJWPXANRVFK-UHFFFAOYSA-N -1 0 408.401 4.361 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(OCCc3ccccc3)c2)cc1C#N ZINC000506191189 914839923 /nfs/dbraw/zinc/83/99/23/914839923.db2.gz OOJDUNWXPPYNMO-UHFFFAOYSA-N -1 0 405.479 4.255 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCOc3c(-c4ccccc4)cccc32)cc1C#N ZINC000512464066 921178487 /nfs/dbraw/zinc/17/84/87/921178487.db2.gz SULFDLOAFKRQQK-IBGZPJMESA-N -1 0 417.490 4.301 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1-c1ccc(C)cc1 ZINC000512500032 921201501 /nfs/dbraw/zinc/20/15/01/921201501.db2.gz SVOUONHUWWGWNT-LJQANCHMSA-N -1 0 424.489 4.369 20 30 HIEDRM COCCOc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000512504647 921204598 /nfs/dbraw/zinc/20/45/98/921204598.db2.gz SOHGAEYIGOTDIA-IBGZPJMESA-N -1 0 403.463 4.197 20 30 HIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1C ZINC000496224835 906632035 /nfs/dbraw/zinc/63/20/35/906632035.db2.gz IJJUPXVBGPUJJR-MXZREZBESA-N -1 0 423.538 4.226 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccccc1Cl ZINC000499194341 908549041 /nfs/dbraw/zinc/54/90/41/908549041.db2.gz RKRSPECOLDFFPH-LBPRGKRZSA-N -1 0 419.794 4.387 20 30 HIEDRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000512964932 921441240 /nfs/dbraw/zinc/44/12/40/921441240.db2.gz XBHKUMNJQZQVMU-BVGQSLNGSA-N -1 0 402.479 4.290 20 30 HIEDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000512964791 921441264 /nfs/dbraw/zinc/44/12/64/921441264.db2.gz VFWIXEAFZFWWJU-JEBQAFNWSA-N -1 0 402.479 4.290 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4o3)c3c2CCC3)c(F)c1 ZINC000499588885 908849362 /nfs/dbraw/zinc/84/93/62/908849362.db2.gz IADMXRUCNFOMIW-OAHLLOKOSA-N -1 0 400.413 4.440 20 30 HIEDRM N#C[C@H](NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1cccc(Cl)c1Cl ZINC000499864355 908997768 /nfs/dbraw/zinc/99/77/68/908997768.db2.gz SHRLWTICQYWDLG-AWEZNQCLSA-N -1 0 405.216 4.018 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000501315280 910466579 /nfs/dbraw/zinc/46/65/79/910466579.db2.gz VBSUACIXSINJQK-CQSZACIVSA-N -1 0 416.872 4.175 20 30 HIEDRM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc2)n1 ZINC000502800643 911820998 /nfs/dbraw/zinc/82/09/98/911820998.db2.gz ZIEGJNWYBXHMDD-UHFFFAOYSA-N -1 0 402.863 4.186 20 30 HIEDRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000507314691 916074287 /nfs/dbraw/zinc/07/42/87/916074287.db2.gz PPKVSNKLZPDFKP-UHFFFAOYSA-N -1 0 400.891 4.457 20 30 HIEDRM C=CCOc1ccc(C(=O)N[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)cc1OC ZINC000507318854 916079908 /nfs/dbraw/zinc/07/99/08/916079908.db2.gz MZNWSGTVJFOIHB-NRFANRHFSA-N -1 0 403.862 4.033 20 30 HIEDRM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000508126358 916945234 /nfs/dbraw/zinc/94/52/34/916945234.db2.gz SYPYBPKDSZBRSD-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(Cl)cccc3n2)cc1Br ZINC000508142800 916962974 /nfs/dbraw/zinc/96/29/74/916962974.db2.gz MNGXOAYQSNOOBH-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)ncc1Br ZINC000508223055 917041294 /nfs/dbraw/zinc/04/12/94/917041294.db2.gz PAFQQMDPLMPSKQ-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)cnn1-c1cccc(C#N)c1 ZINC000509396497 918061183 /nfs/dbraw/zinc/06/11/83/918061183.db2.gz KXPWJZQSLQNAGS-UHFFFAOYSA-N -1 0 424.526 4.123 20 30 HIEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3C#N)n2)s1 ZINC000510136339 918694024 /nfs/dbraw/zinc/69/40/24/918694024.db2.gz QZGZPMMCABDXHA-UHFFFAOYSA-N -1 0 404.492 4.043 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000511118210 919728675 /nfs/dbraw/zinc/72/86/75/919728675.db2.gz ASVWULVFVKWJDA-UHFFFAOYSA-N -1 0 410.295 4.276 20 30 HIEDRM N#CC(=C([O-])c1occc1CS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000513687046 922008956 /nfs/dbraw/zinc/00/89/56/922008956.db2.gz KUCTWJAKYNYCKH-MRXNPFEDSA-N -1 0 422.487 4.353 20 30 HIEDRM COc1ccc(-n2nnc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)c2C)cc1 ZINC000515542502 923166080 /nfs/dbraw/zinc/16/60/80/923166080.db2.gz XXFWPUOHYYJSCY-GOSISDBHSA-N -1 0 415.478 4.198 20 30 HIEDRM N#CC(=C([O-])c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1nc2ccccc2o1 ZINC000515597227 923207072 /nfs/dbraw/zinc/20/70/72/923207072.db2.gz BQWLUIOECDYAHY-IBGZPJMESA-N -1 0 421.412 4.114 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1Cl ZINC000515631063 923232957 /nfs/dbraw/zinc/23/29/57/923232957.db2.gz LRLCMBHJBDEEGF-UHFFFAOYSA-N -1 0 410.842 4.071 20 30 HIEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(SCc3ccccc3Cl)cn2)c1 ZINC000516221717 923610172 /nfs/dbraw/zinc/61/01/72/923610172.db2.gz SKKFQARLNOSXGF-UHFFFAOYSA-N -1 0 416.915 4.095 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(F)cc4nccnc43)n2)cc1 ZINC000516714067 923858733 /nfs/dbraw/zinc/85/87/33/923858733.db2.gz OPKBEHGNZXFQAN-INIZCTEOSA-N -1 0 404.426 4.391 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc(Br)c2)n1)c1nc2ccccc2o1 ZINC000517386727 924150544 /nfs/dbraw/zinc/15/05/44/924150544.db2.gz UTVJTSPNVGWQAP-AWEZNQCLSA-N -1 0 407.227 4.266 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c3c2CCC3)c(C)c1 ZINC000517386423 924150616 /nfs/dbraw/zinc/15/06/16/924150616.db2.gz ORQBFWDHCPOERI-GOSISDBHSA-N -1 0 409.493 4.355 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3cccc(Br)c3)c2C)n1 ZINC000519289018 927864773 /nfs/dbraw/zinc/86/47/73/927864773.db2.gz ONBRUJNUGQWNMB-AWEZNQCLSA-N -1 0 401.289 4.198 20 30 HIEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)cc12 ZINC000520431901 928561087 /nfs/dbraw/zinc/56/10/87/928561087.db2.gz BIVCVAAYSQMUOW-CYBMUJFWSA-N -1 0 409.421 4.169 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cc1C#N ZINC000520519325 928615591 /nfs/dbraw/zinc/61/55/91/928615591.db2.gz MIRFBWWCTOZOFQ-GFCCVEGCSA-N -1 0 405.882 4.021 20 30 HIEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1 ZINC000520925996 928877746 /nfs/dbraw/zinc/87/77/46/928877746.db2.gz IJTHGCPMTOSNIR-AWEZNQCLSA-N -1 0 404.513 4.058 20 30 HIEDRM N#Cc1ccccc1COc1cccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1 ZINC000520966310 928893118 /nfs/dbraw/zinc/89/31/18/928893118.db2.gz DERWOHONLBICDJ-UHFFFAOYSA-N -1 0 418.503 4.391 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000521711521 929380737 /nfs/dbraw/zinc/38/07/37/929380737.db2.gz DFPQXCRVNIDMKJ-UHFFFAOYSA-N -1 0 415.309 4.395 20 30 HIEDRM Cc1cccn2cc(-c3ccc([N-]S(=O)(=O)c4ccc(C#N)cc4F)cc3)nc12 ZINC000524809778 929838527 /nfs/dbraw/zinc/83/85/27/929838527.db2.gz CBIUWSYMDYTBNB-UHFFFAOYSA-N -1 0 406.442 4.121 20 30 HIEDRM CC(C)Sc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000524965653 929930860 /nfs/dbraw/zinc/93/08/60/929930860.db2.gz PKICEVXBPGGPPH-UHFFFAOYSA-N -1 0 411.892 4.421 20 30 HIEDRM Cc1cnn([C@@H]2CCCc3ccccc32)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000525435056 930238050 /nfs/dbraw/zinc/23/80/50/930238050.db2.gz ISYVPBRQIBAZQN-HXUWFJFHSA-N -1 0 406.511 4.098 20 30 HIEDRM N#CCc1ccnc(NC(=O)c2nn(-c3cc(Cl)c(Cl)cc3Cl)cc2[O-])c1 ZINC000531928585 931249289 /nfs/dbraw/zinc/24/92/89/931249289.db2.gz QYISLUSLIRBTQJ-UHFFFAOYSA-N -1 0 422.659 4.251 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c3c(sc2-n2cccc2)CCC3)n1 ZINC000533930093 932105974 /nfs/dbraw/zinc/10/59/74/932105974.db2.gz UKKQBSLJPWWVLA-CYBMUJFWSA-N -1 0 411.508 4.151 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ncccc2Cl)c1C(F)F)c1nc2ccccc2o1 ZINC000535377440 933102050 /nfs/dbraw/zinc/10/20/50/933102050.db2.gz JTRAHGVDIJJWEQ-SNVBAGLBSA-N -1 0 413.771 4.490 20 30 HIEDRM C=CCCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1C ZINC000538332566 938595316 /nfs/dbraw/zinc/59/53/16/938595316.db2.gz HNGSLPANINQGOP-QGZVFWFLSA-N -1 0 416.543 4.279 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)c1Cl ZINC000538363112 938604289 /nfs/dbraw/zinc/60/42/89/938604289.db2.gz ZWKRIBZNNBWTOH-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM COc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc2C)cc1 ZINC000538919913 938737927 /nfs/dbraw/zinc/73/79/27/938737927.db2.gz VYOGPZGHUIRWMP-MRXNPFEDSA-N -1 0 421.407 4.424 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3c2c(C)nn3-c2ccccn2)n1 ZINC000540744171 939356380 /nfs/dbraw/zinc/35/63/80/939356380.db2.gz BETYJXMEKHTWHN-INIZCTEOSA-N -1 0 414.494 4.256 20 30 HIEDRM O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)c1cc(F)c(F)c([O-])c1F ZINC000541681973 939599931 /nfs/dbraw/zinc/59/99/31/939599931.db2.gz MPRNFPSINUBJBN-UHFFFAOYSA-N -1 0 411.273 4.479 20 30 HIEDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1Cl ZINC000542094843 939710753 /nfs/dbraw/zinc/71/07/53/939710753.db2.gz WECRJYAENKOAOY-UHFFFAOYSA-N -1 0 402.781 4.234 20 30 HIEDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000543166236 939983298 /nfs/dbraw/zinc/98/32/98/939983298.db2.gz MCHYOMOTDKKKCL-UHFFFAOYSA-N -1 0 423.336 4.132 20 30 HIEDRM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000543949601 940263029 /nfs/dbraw/zinc/26/30/29/940263029.db2.gz QMVRICYGYLTASJ-UHFFFAOYSA-N -1 0 417.650 4.118 20 30 HIEDRM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000544095939 940325298 /nfs/dbraw/zinc/32/52/98/940325298.db2.gz HVBWSZKDKCKPRO-UHFFFAOYSA-N -1 0 408.373 4.378 20 30 HIEDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000544096998 940325406 /nfs/dbraw/zinc/32/54/06/940325406.db2.gz WETVJHCBEOLYFQ-UHFFFAOYSA-N -1 0 412.437 4.388 20 30 HIEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000544635771 940495818 /nfs/dbraw/zinc/49/58/18/940495818.db2.gz DIZYFBCLORPPHJ-UHFFFAOYSA-N -1 0 409.902 4.372 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000545382426 940567467 /nfs/dbraw/zinc/56/74/67/940567467.db2.gz XSDXHRZLUPAVNP-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cnc4ccccc43)cc2)c(Cl)c1 ZINC000546566532 940855084 /nfs/dbraw/zinc/85/50/84/940855084.db2.gz MGQARWPIWYJDFV-UHFFFAOYSA-N -1 0 422.897 4.410 20 30 HIEDRM CC(C)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000546740929 940874941 /nfs/dbraw/zinc/87/49/41/940874941.db2.gz ONVDUFVKSMTFMJ-SFHVURJKSA-N -1 0 410.520 4.482 20 30 HIEDRM N#CC1(CS(=O)(=O)N(CCC2=CCCCC2)c2ccccc2C(=O)[O-])CCCC1 ZINC000548534459 941113087 /nfs/dbraw/zinc/11/30/87/941113087.db2.gz GFTDRFUIZPCUJP-UHFFFAOYSA-N -1 0 416.543 4.495 20 30 HIEDRM Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000551402929 941470479 /nfs/dbraw/zinc/47/04/79/941470479.db2.gz DTLYWARRVYKBSC-UHFFFAOYSA-N -1 0 403.451 4.341 20 30 HIEDRM C=CCC(C)(C)c1noc(-c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)n1 ZINC000551496626 941490289 /nfs/dbraw/zinc/49/02/89/941490289.db2.gz NMVWNAJCGQNVRS-UHFFFAOYSA-N -1 0 413.499 4.400 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-c4nc[nH]n4)cc3)n2)cc1 ZINC000551760457 941540359 /nfs/dbraw/zinc/54/03/59/941540359.db2.gz AWYQFBZOKRLBGQ-QGZVFWFLSA-N -1 0 401.451 4.094 20 30 HIEDRM N#CC(=C([O-])c1cc(Br)cnc1OCC1CC1)c1cnc2ccccc2n1 ZINC000552112821 941587426 /nfs/dbraw/zinc/58/74/26/941587426.db2.gz WGAVOHSIHNCNGW-HNNXBMFYSA-N -1 0 423.270 4.066 20 30 HIEDRM N#CC(=C([O-])c1cc2n(n1)CCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000555065042 942374932 /nfs/dbraw/zinc/37/49/32/942374932.db2.gz CKKVRTXUKBFBSS-LLVKDONJSA-N -1 0 405.266 4.196 20 30 HIEDRM O=C(Nc1cc(F)cc(F)c1F)c1nnn(-c2ccccc2F)c1C(F)(F)F ZINC000558240843 943453010 /nfs/dbraw/zinc/45/30/10/943453010.db2.gz QJVSDZFHWFXWOT-UHFFFAOYSA-N -1 0 404.245 4.095 20 30 HIEDRM COc1cc(C(=O)[O-])cc(NCc2cccc(OCc3cccc(C#N)c3)c2)c1OC ZINC000559980385 944109298 /nfs/dbraw/zinc/10/92/98/944109298.db2.gz LRIXXTQBYUANAZ-UHFFFAOYSA-N -1 0 418.449 4.465 20 30 HIEDRM N#CC(=C([O-])c1cnnn1Cc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000560545137 944248777 /nfs/dbraw/zinc/24/87/77/944248777.db2.gz UPQISXYFYCKNDY-AWEZNQCLSA-N -1 0 421.432 4.218 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000565981965 945961941 /nfs/dbraw/zinc/96/19/41/945961941.db2.gz YUJBNEQAPRIYOS-SFHVURJKSA-N -1 0 406.463 4.485 20 30 HIEDRM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1cccnc1C(F)(F)F ZINC000566759547 946089632 /nfs/dbraw/zinc/08/96/32/946089632.db2.gz MQBKWRHFKPPCHA-UHFFFAOYSA-N -1 0 417.306 4.015 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2N2CCCCC2)c(Cl)c1 ZINC000573146381 948089835 /nfs/dbraw/zinc/08/98/35/948089835.db2.gz AYIIQAWMBKYPEZ-UHFFFAOYSA-N -1 0 411.861 4.281 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nnn1Cc1ccc(F)cc1 ZINC000574516092 948463549 /nfs/dbraw/zinc/46/35/49/948463549.db2.gz YLDJNZAREBHWHK-OAHLLOKOSA-N -1 0 424.386 4.009 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000575795446 948720383 /nfs/dbraw/zinc/72/03/83/948720383.db2.gz KOLISVAWPHMBCB-UHFFFAOYSA-N -1 0 417.368 4.097 20 30 HIEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 ZINC000007700970 845392927 /nfs/dbraw/zinc/39/29/27/845392927.db2.gz GSLJMQIVMXJKRS-OVCLIPMQSA-N -1 0 401.418 4.298 20 30 HIEDRM COc1cc(/C=C2\CCOc3cc(Br)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000023702381 846742434 /nfs/dbraw/zinc/74/24/34/846742434.db2.gz ODHJTZAUQDURFC-IZZDOVSWSA-N -1 0 420.215 4.120 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(Br)cc3)c2C)n1 ZINC000041516422 848225126 /nfs/dbraw/zinc/22/51/26/848225126.db2.gz MJIPDTVEESMXNU-AWEZNQCLSA-N -1 0 401.289 4.198 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)n1 ZINC000041516847 848225906 /nfs/dbraw/zinc/22/59/06/848225906.db2.gz WOTPKNWQQDWEAC-CQSZACIVSA-N -1 0 409.471 4.390 20 30 HIEDRM N#Cc1ccc(CSc2nnc(NC(=O)c3ccc([O-])c(Cl)c3)s2)cc1 ZINC000436674334 861890741 /nfs/dbraw/zinc/89/07/41/861890741.db2.gz RLFODPKAWDHJBU-UHFFFAOYSA-N -1 0 402.888 4.313 20 30 HIEDRM N#Cc1ccc2c(c1)N(C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-])CC2 ZINC000436690010 861895384 /nfs/dbraw/zinc/89/53/84/861895384.db2.gz PTYFORBAVYYXIH-UHFFFAOYSA-N -1 0 423.881 4.434 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccc(Br)cc1 ZINC000048788934 849268906 /nfs/dbraw/zinc/26/89/06/849268906.db2.gz VOEHRSNCHJUAQZ-CQSZACIVSA-N -1 0 415.316 4.452 20 30 HIEDRM CC(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000051534230 849481384 /nfs/dbraw/zinc/48/13/84/849481384.db2.gz VSQMWWOEYCUHCB-GOSISDBHSA-N -1 0 410.520 4.482 20 30 HIEDRM O=C(CCCOCc1ccccc1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000051897217 849526455 /nfs/dbraw/zinc/52/64/55/849526455.db2.gz NUCPSTSBYDRVPM-UHFFFAOYSA-N -1 0 401.406 4.348 20 30 HIEDRM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cc(-c4ccco4)on3)s2)cc1 ZINC000054449726 849870421 /nfs/dbraw/zinc/87/04/21/849870421.db2.gz WRXUVGBDKQGFFF-UHFFFAOYSA-N -1 0 409.452 4.202 20 30 HIEDRM COc1ccc(COc2cccc(F)c2)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000063634782 851730612 /nfs/dbraw/zinc/73/06/12/851730612.db2.gz IWGRDFJSNZJNAL-UHFFFAOYSA-N -1 0 412.442 4.086 20 30 HIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)Cc2csc(Cc3ccc(F)cc3)n2)c1 ZINC000065484491 852155014 /nfs/dbraw/zinc/15/50/14/852155014.db2.gz IABUKFHIPIGXCP-UHFFFAOYSA-N -1 0 418.515 4.378 20 30 HIEDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)C1(c2cccc(F)c2)CCOCC1 ZINC000065762934 852247376 /nfs/dbraw/zinc/24/73/76/852247376.db2.gz NKNFBMWHIAQGOW-UHFFFAOYSA-N -1 0 413.470 4.373 20 30 HIEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)C1(c2cccc(F)c2)CCOCC1 ZINC000066004120 852352802 /nfs/dbraw/zinc/35/28/02/852352802.db2.gz FQHXCQFLAMTPAH-UHFFFAOYSA-N -1 0 417.502 4.098 20 30 HIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000105262041 852695071 /nfs/dbraw/zinc/69/50/71/852695071.db2.gz FVFRZMJJECCJBZ-IBGZPJMESA-N -1 0 404.514 4.048 20 30 HIEDRM CC(=O)c1cccc(OCCCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000138542569 853390959 /nfs/dbraw/zinc/39/09/59/853390959.db2.gz FCWFCCGGLQGRLJ-HXUWFJFHSA-N -1 0 402.450 4.430 20 30 HIEDRM C=CCN(Cc1ccccc1)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000237656590 854069999 /nfs/dbraw/zinc/06/99/99/854069999.db2.gz VEEMFWYJVYGIPF-UHFFFAOYSA-N -1 0 417.509 4.335 20 30 HIEDRM COc1ccc(-c2n[n-]c(=S)n2N=CC=Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000254615228 854212448 /nfs/dbraw/zinc/21/24/48/854212448.db2.gz BNDDPQPWKISGFC-TZLAGTBTSA-N -1 0 411.443 4.080 20 30 HIEDRM C[C@H](Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1)c1cccc(C#N)c1 ZINC000301542950 854417065 /nfs/dbraw/zinc/41/70/65/854417065.db2.gz KIVDTTDXCPPONJ-ZDUSSCGKSA-N -1 0 414.437 4.205 20 30 HIEDRM Cc1cc(F)ccc1-c1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1F ZINC000303704906 855142966 /nfs/dbraw/zinc/14/29/66/855142966.db2.gz SICXACCQUIGXCL-HXUWFJFHSA-N -1 0 414.452 4.194 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000321858589 855391185 /nfs/dbraw/zinc/39/11/85/855391185.db2.gz LVEDLBNTJMMHDN-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000391200386 855458897 /nfs/dbraw/zinc/45/88/97/855458897.db2.gz QIXKZERTLNMUCG-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)ccc1C(F)(F)F ZINC000410339671 855937573 /nfs/dbraw/zinc/93/75/73/855937573.db2.gz ZLUSWUIGMRBIRR-UHFFFAOYSA-N -1 0 403.385 4.440 20 30 HIEDRM COc1cncc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)c1 ZINC000410350539 855943940 /nfs/dbraw/zinc/94/39/40/855943940.db2.gz BHSORMAETHYUSC-LJQANCHMSA-N -1 0 413.886 4.200 20 30 HIEDRM CCn1cc(-c2nn(C)cc2C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000426545655 856342472 /nfs/dbraw/zinc/34/24/72/856342472.db2.gz QUIJBHGQMPJKAE-CYBMUJFWSA-N -1 0 410.890 4.057 20 30 HIEDRM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000427119382 856650463 /nfs/dbraw/zinc/65/04/63/856650463.db2.gz IMJCPYKMHQFXPO-UHFFFAOYSA-N -1 0 423.897 4.070 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000427207457 856712766 /nfs/dbraw/zinc/71/27/66/856712766.db2.gz XSFQFNBRNYNDKG-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1F ZINC000427346084 856784641 /nfs/dbraw/zinc/78/46/41/856784641.db2.gz HTUUYRXFBPIIMV-HNNXBMFYSA-N -1 0 424.881 4.099 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(OC(F)(F)F)cc3s2)cc1F ZINC000427789357 856955382 /nfs/dbraw/zinc/95/53/82/856955382.db2.gz LZVNEEQODWLYQG-UHFFFAOYSA-N -1 0 417.365 4.006 20 30 HIEDRM CCOc1ccc(-c2nc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cs2)cc1 ZINC000429596967 857779741 /nfs/dbraw/zinc/77/97/41/857779741.db2.gz LJTMPAUWRVQJER-HNNXBMFYSA-N -1 0 403.467 4.279 20 30 HIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-c4ccc5c(c4)OCCO5)s3)nc1-2 ZINC000429599108 857781003 /nfs/dbraw/zinc/78/10/03/857781003.db2.gz RKCVMLWLBGYHLB-CQSZACIVSA-N -1 0 416.462 4.256 20 30 HIEDRM Cc1nc(C)c(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)s1 ZINC000433493588 859732326 /nfs/dbraw/zinc/73/23/26/859732326.db2.gz LGTQNYMBYXIFMV-UHFFFAOYSA-N -1 0 413.524 4.206 20 30 HIEDRM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)nn2)c1 ZINC000434620523 860434270 /nfs/dbraw/zinc/43/42/70/860434270.db2.gz KTNLCBNZCYZXAK-AWEZNQCLSA-N -1 0 411.849 4.468 20 30 HIEDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)s1 ZINC000435136288 860658363 /nfs/dbraw/zinc/65/83/63/860658363.db2.gz ABAQXLFBBXWUNK-UHFFFAOYSA-N -1 0 415.334 4.279 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1Br ZINC000435143529 860663566 /nfs/dbraw/zinc/66/35/66/860663566.db2.gz ROIJBRZFNGFFAI-UHFFFAOYSA-N -1 0 409.305 4.217 20 30 HIEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(OC)cc1Cl ZINC000435171158 860676220 /nfs/dbraw/zinc/67/62/20/860676220.db2.gz NFMYKCPCYVAOKO-UHFFFAOYSA-N -1 0 420.796 4.048 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435170823 860676671 /nfs/dbraw/zinc/67/66/71/860676671.db2.gz JVGSDKNMOGNFFE-UHFFFAOYSA-N -1 0 409.389 4.037 20 30 HIEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OCc1ccc(F)cc1 ZINC000435337219 860747181 /nfs/dbraw/zinc/74/71/81/860747181.db2.gz UPJRJCPUHRUTRY-UVTDQMKNSA-N -1 0 405.429 4.237 20 30 HIEDRM COc1cccc(COc2cccc([N-]S(=O)(=O)c3ccc(C#N)s3)c2C)c1 ZINC000435496149 860821911 /nfs/dbraw/zinc/82/19/11/860821911.db2.gz QLGVPTGWQGMPKW-UHFFFAOYSA-N -1 0 414.508 4.317 20 30 HIEDRM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1Cl ZINC000435499123 860823377 /nfs/dbraw/zinc/82/33/77/860823377.db2.gz CMSISZVDHRIBSL-GFCCVEGCSA-N -1 0 423.947 4.089 20 30 HIEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000437941353 863316530 /nfs/dbraw/zinc/31/65/30/863316530.db2.gz JLDFGNZCTNGRSA-UHFFFAOYSA-N -1 0 404.297 4.100 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438756890 864250550 /nfs/dbraw/zinc/25/05/50/864250550.db2.gz RCLLQVNWYBOTFP-LLVKDONJSA-N -1 0 410.904 4.233 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc3ncsc3c2)cnn1-c1cccc(C#N)c1 ZINC000438808234 864298965 /nfs/dbraw/zinc/29/89/65/864298965.db2.gz FYRBGYKVHVEDKV-UHFFFAOYSA-N -1 0 423.523 4.107 20 30 HIEDRM CCN(C[C@@H](C)C#N)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000438995142 864453611 /nfs/dbraw/zinc/45/36/11/864453611.db2.gz MUJRKSVZZQZNOU-VIFPVBQESA-N -1 0 401.681 4.160 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)cc1C#N ZINC000440662334 865859352 /nfs/dbraw/zinc/85/93/52/865859352.db2.gz LDYQEKJNQVWNMZ-UHFFFAOYSA-N -1 0 420.425 4.436 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)Cc3ccccc3)c2)c1C#N ZINC000440822253 865938071 /nfs/dbraw/zinc/93/80/71/865938071.db2.gz OZLWZCJAGDRPFP-MUUNZHRXSA-N -1 0 424.547 4.116 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)c(Cl)c2)c1C#N ZINC000440835070 865948674 /nfs/dbraw/zinc/94/86/74/865948674.db2.gz TYCXWLDOUHDEEM-UHFFFAOYSA-N -1 0 422.944 4.324 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)c1C#N ZINC000441321447 866392719 /nfs/dbraw/zinc/39/27/19/866392719.db2.gz GERCHTHGECYNEN-UHFFFAOYSA-N -1 0 405.479 4.228 20 30 HIEDRM CCn1ncc2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)c(C)nc21 ZINC000442503495 867486317 /nfs/dbraw/zinc/48/63/17/867486317.db2.gz CXDONRLBGRIEPC-SFHVURJKSA-N -1 0 412.478 4.245 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c1OC ZINC000442672544 867606495 /nfs/dbraw/zinc/60/64/95/867606495.db2.gz QVCAYPCCUBUIHZ-LLVKDONJSA-N -1 0 417.830 4.365 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc([N+](=O)[O-])c1OC ZINC000442672545 867607411 /nfs/dbraw/zinc/60/74/11/867607411.db2.gz QVCAYPCCUBUIHZ-NSHDSACASA-N -1 0 417.830 4.365 20 30 HIEDRM CC(C)(C)CNC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000442857191 867700920 /nfs/dbraw/zinc/70/09/20/867700920.db2.gz PICDAVXMKDPBMV-SFHVURJKSA-N -1 0 418.522 4.471 20 30 HIEDRM C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000442898605 867728093 /nfs/dbraw/zinc/72/80/93/867728093.db2.gz JJVQGVYELCDFOC-FQEVSTJZSA-N -1 0 406.479 4.176 20 30 HIEDRM Cc1ccc2oc(-c3nnc([N-]S(=O)(=O)c4ccc(C#N)cc4Cl)o3)cc2c1 ZINC000443160257 867849766 /nfs/dbraw/zinc/84/97/66/867849766.db2.gz OEZCPBHANFPMNF-UHFFFAOYSA-N -1 0 414.830 4.117 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cc1[O-] ZINC000443295049 867893335 /nfs/dbraw/zinc/89/33/35/867893335.db2.gz JFMZXOUTNJAYTC-UHFFFAOYSA-N -1 0 420.856 4.491 20 30 HIEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccccc3Oc3ncccc3C#N)c2O1 ZINC000443400415 867959280 /nfs/dbraw/zinc/95/92/80/867959280.db2.gz QZENSYRJRQXKFG-UHFFFAOYSA-N -1 0 421.478 4.260 20 30 HIEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1C(C)C ZINC000443411705 867995324 /nfs/dbraw/zinc/99/53/24/867995324.db2.gz GKHYWKOWHCCPLC-UHFFFAOYSA-N -1 0 414.453 4.354 20 30 HIEDRM COc1ccc(-c2nc3ccccc3[nH]2)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000443422435 868005422 /nfs/dbraw/zinc/00/54/22/868005422.db2.gz JQNUXUXPYQNZBY-UHFFFAOYSA-N -1 0 418.478 4.105 20 30 HIEDRM O=S(=O)([N-]c1ccc(F)cc1OCCC(F)(F)F)c1c(F)cc(F)cc1F ZINC000443526392 868083540 /nfs/dbraw/zinc/08/35/40/868083540.db2.gz DLBPJISIYMFSIN-UHFFFAOYSA-N -1 0 417.302 4.375 20 30 HIEDRM O=S(=O)([N-]c1ccc(F)cc1OCCC(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000443526804 868083720 /nfs/dbraw/zinc/08/37/20/868083720.db2.gz DORHMXDSRXZTBT-UHFFFAOYSA-N -1 0 417.302 4.375 20 30 HIEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)c(F)c1 ZINC000445790989 869826260 /nfs/dbraw/zinc/82/62/60/869826260.db2.gz SFISBACJXHAXSV-UHFFFAOYSA-N -1 0 421.226 4.370 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(OC)c3[N+](=O)[O-])n2)cc1 ZINC000447524095 871388990 /nfs/dbraw/zinc/38/89/90/871388990.db2.gz YKXHMWVDAWWZBY-OAHLLOKOSA-N -1 0 409.423 4.226 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)C1(C#N)CCCCC1 ZINC000447632627 871547147 /nfs/dbraw/zinc/54/71/47/871547147.db2.gz MLDBWQLJGJLHPU-UHFFFAOYSA-N -1 0 415.490 4.348 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1ccc(C#N)cc1C ZINC000447637797 871554404 /nfs/dbraw/zinc/55/44/04/871554404.db2.gz SSBPIGDQDIAHID-UHFFFAOYSA-N -1 0 423.469 4.367 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cc1[O-] ZINC000447692263 871627877 /nfs/dbraw/zinc/62/78/77/871627877.db2.gz ZXQCPHRDEZYKDT-UHFFFAOYSA-N -1 0 401.209 4.405 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000447776065 871706225 /nfs/dbraw/zinc/70/62/25/871706225.db2.gz ACXWOXPYHHQREE-LLVKDONJSA-N -1 0 416.446 4.480 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000448317230 872253008 /nfs/dbraw/zinc/25/30/08/872253008.db2.gz FQEZJIHIQCOFTR-UHFFFAOYSA-N -1 0 424.444 4.320 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(C(F)(F)F)cc32)c(Cl)c1 ZINC000460577046 873313056 /nfs/dbraw/zinc/31/30/56/873313056.db2.gz DBKDXCWLALQCBK-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c(C(F)(F)F)c1 ZINC000460832992 873721181 /nfs/dbraw/zinc/72/11/81/873721181.db2.gz WPPFAINOQAJPIQ-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000463524295 876592050 /nfs/dbraw/zinc/59/20/50/876592050.db2.gz HJQWECFMMNUOKF-UHFFFAOYSA-N -1 0 405.435 4.032 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000463526336 876597525 /nfs/dbraw/zinc/59/75/25/876597525.db2.gz FVCJPXFXWNPBQK-UHFFFAOYSA-N -1 0 423.425 4.315 20 30 HIEDRM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464402408 877603246 /nfs/dbraw/zinc/60/32/46/877603246.db2.gz DTLCESINCPMLEM-NSHDSACASA-N -1 0 414.181 4.065 20 30 HIEDRM COc1ccc(-n2nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2C)cc1 ZINC000464411949 877615914 /nfs/dbraw/zinc/61/59/14/877615914.db2.gz PIDFFEFQIJQFCA-MRXNPFEDSA-N -1 0 400.360 4.093 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)sc1Br ZINC000464468231 877690810 /nfs/dbraw/zinc/69/08/10/877690810.db2.gz MVPGCMFRNAKNEJ-QMMMGPOBSA-N -1 0 405.195 4.423 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cn(-c3ccccc3)nc2C(C)(C)C)n1 ZINC000467432116 881228911 /nfs/dbraw/zinc/22/89/11/881228911.db2.gz IODYSHFPILWDAP-HNNXBMFYSA-N -1 0 422.510 4.293 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)c(Cl)c1 ZINC000503982799 912895912 /nfs/dbraw/zinc/89/59/12/912895912.db2.gz NQYKSICMVFUUCC-AWEZNQCLSA-N -1 0 410.751 4.072 20 30 HIEDRM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1C ZINC000471116058 885652847 /nfs/dbraw/zinc/65/28/47/885652847.db2.gz KZYBADYPSIOPAX-UHFFFAOYSA-N -1 0 417.487 4.281 20 30 HIEDRM CC[C@@H](c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1)c1ccccc1 ZINC000471515362 886217016 /nfs/dbraw/zinc/21/70/16/886217016.db2.gz JNKRHMWPNFKCKO-CYBMUJFWSA-N -1 0 418.931 4.406 20 30 HIEDRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000471569491 886279456 /nfs/dbraw/zinc/27/94/56/886279456.db2.gz HMHKIBBVDDQDNK-AWEZNQCLSA-N -1 0 400.891 4.127 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000471906759 886689919 /nfs/dbraw/zinc/68/99/19/886689919.db2.gz RQPQFORVSYZJCF-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM Cc1cc(Br)cc2c(C([O-])=C(C#N)c3nnc4n3CCCCC4)coc21 ZINC000473488302 888210716 /nfs/dbraw/zinc/21/07/16/888210716.db2.gz IQCYZSWFSPOAID-AWEZNQCLSA-N -1 0 413.275 4.312 20 30 HIEDRM COCCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(Cl)c1 ZINC000473490976 888211887 /nfs/dbraw/zinc/21/18/87/888211887.db2.gz PPPTXTMRUWXENX-INIZCTEOSA-N -1 0 413.886 4.374 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 ZINC000474440283 889305826 /nfs/dbraw/zinc/30/58/26/889305826.db2.gz XVOCJDJXKHDJQH-KRWDZBQOSA-N -1 0 419.462 4.146 20 30 HIEDRM COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(OCc2ccccc2)c1 ZINC000475811412 890746134 /nfs/dbraw/zinc/74/61/34/890746134.db2.gz IABOZARMBANBPR-UHFFFAOYSA-N -1 0 408.479 4.141 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1C#N ZINC000476536133 891448877 /nfs/dbraw/zinc/44/88/77/891448877.db2.gz MWCYLRLFMGQPRC-UHFFFAOYSA-N -1 0 417.796 4.228 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477413750 892366374 /nfs/dbraw/zinc/36/63/74/892366374.db2.gz ONQWKGQFLRZTBJ-UHFFFAOYSA-N -1 0 422.462 4.466 20 30 HIEDRM CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)cc2)n1 ZINC000479480379 894803038 /nfs/dbraw/zinc/80/30/38/894803038.db2.gz MFHWFBIUFMBHBJ-UHFFFAOYSA-N -1 0 402.863 4.186 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1OCC(F)(F)F ZINC000479479922 894803477 /nfs/dbraw/zinc/80/34/77/894803477.db2.gz KRCMBJMVFCNBBR-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)cc1 ZINC000479483372 894805968 /nfs/dbraw/zinc/80/59/68/894805968.db2.gz WHUBFWLZWXYLDF-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)c1 ZINC000479488212 894809557 /nfs/dbraw/zinc/80/95/57/894809557.db2.gz ILUOLYOQLOOVLB-UHFFFAOYSA-N -1 0 418.931 4.222 20 30 HIEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000479522849 894832682 /nfs/dbraw/zinc/83/26/82/894832682.db2.gz CZJNQUNISHRWQU-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)ccc1Cl ZINC000479984183 895337722 /nfs/dbraw/zinc/33/77/22/895337722.db2.gz BSKQPEQSDOTNJO-UHFFFAOYSA-N -1 0 411.295 4.184 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1Cl ZINC000481978253 897373124 /nfs/dbraw/zinc/37/31/24/897373124.db2.gz CNFPGQIFKAAFRH-GFCCVEGCSA-N -1 0 423.947 4.493 20 30 HIEDRM CC(C)COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483222063 898867010 /nfs/dbraw/zinc/86/70/10/898867010.db2.gz SQULFLRUVLKEKE-GOSISDBHSA-N -1 0 411.465 4.340 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2-c2nc(C(C)(C)C)no2)n1 ZINC000505722450 914403864 /nfs/dbraw/zinc/40/38/64/914403864.db2.gz FSOGHQFKAAZQRL-AWEZNQCLSA-N -1 0 424.482 4.157 20 30 HIEDRM O=S(=O)([N-]c1ccc(OC(F)F)c(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000485014404 900362575 /nfs/dbraw/zinc/36/25/75/900362575.db2.gz PJIYNWLTDJSARE-UHFFFAOYSA-N -1 0 403.275 4.386 20 30 HIEDRM N#CCc1ccc(OCc2cccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c2)cc1 ZINC000505775617 914443366 /nfs/dbraw/zinc/44/33/66/914443366.db2.gz FAAMYRLIQUTPTH-UHFFFAOYSA-N -1 0 403.394 4.198 20 30 HIEDRM Cc1ccc(Cl)cc1NC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000487493806 902224286 /nfs/dbraw/zinc/22/42/86/902224286.db2.gz BSYCZHFAWLFJKT-CYBMUJFWSA-N -1 0 412.902 4.483 20 30 HIEDRM CCc1ccccc1S(=O)(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000488443608 902828826 /nfs/dbraw/zinc/82/88/26/902828826.db2.gz WARMMXMDQIPTLR-UHFFFAOYSA-N -1 0 416.553 4.065 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000489911761 903668939 /nfs/dbraw/zinc/66/89/39/903668939.db2.gz OIETZUKLGHSPTC-HNNXBMFYSA-N -1 0 424.386 4.020 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3ccc(Br)cc3)nc2C)n1 ZINC000490697838 904179240 /nfs/dbraw/zinc/17/92/40/904179240.db2.gz UPDHZBJIJJXLKU-AWEZNQCLSA-N -1 0 401.289 4.198 20 30 HIEDRM N#Cc1cc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cnc1C(F)(F)F ZINC000490844319 904282503 /nfs/dbraw/zinc/28/25/03/904282503.db2.gz OUIMSHZQEQRXEE-UHFFFAOYSA-N -1 0 420.572 4.346 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCOc3c(-c4ccccc4)cccc32)cc1C#N ZINC000512464067 921179109 /nfs/dbraw/zinc/17/91/09/921179109.db2.gz SULFDLOAFKRQQK-LJQANCHMSA-N -1 0 417.490 4.301 20 30 HIEDRM CC(C)Oc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000495232394 906323922 /nfs/dbraw/zinc/32/39/22/906323922.db2.gz XOXAKJKWZKARBG-CYBMUJFWSA-N -1 0 402.376 4.264 20 30 HIEDRM CC(C)Oc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000495250203 906337315 /nfs/dbraw/zinc/33/73/15/906337315.db2.gz PXGWQQKRFMTMIB-CYBMUJFWSA-N -1 0 400.360 4.321 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2coc(-c3ccc(Br)cc3F)n2)n1 ZINC000496187378 906622626 /nfs/dbraw/zinc/62/26/26/906622626.db2.gz LBLCBWLJWRUUQO-NSHDSACASA-N -1 0 406.236 4.498 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc(Br)cc2)n1)c1nc2ccccc2o1 ZINC000496770507 906753470 /nfs/dbraw/zinc/75/34/70/906753470.db2.gz OQTGGRALPKXJET-CQSZACIVSA-N -1 0 407.227 4.266 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(NC(=O)C(C)C)c3)n2)cc1 ZINC000497363512 906853534 /nfs/dbraw/zinc/85/35/34/906853534.db2.gz LFRGYGYJCYJNRY-KRWDZBQOSA-N -1 0 420.494 4.298 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)nc1 ZINC000497444012 906918034 /nfs/dbraw/zinc/91/80/34/906918034.db2.gz PQDOPUIHQFVBOG-LBPRGKRZSA-N -1 0 413.405 4.150 20 30 HIEDRM CCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000512964315 921440643 /nfs/dbraw/zinc/44/06/43/921440643.db2.gz OODPKCQVOUVMDW-GOSISDBHSA-N -1 0 404.495 4.177 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500340627 909801393 /nfs/dbraw/zinc/80/13/93/909801393.db2.gz LMKFJFLZAWHFRJ-UHFFFAOYSA-N -1 0 413.268 4.072 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C4CCOCC4)c3C)n2)cc1 ZINC000500459838 909871902 /nfs/dbraw/zinc/87/19/02/909871902.db2.gz DRCVWYSDMXDTNW-GOSISDBHSA-N -1 0 422.510 4.165 20 30 HIEDRM N#CC(=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2ccccc2o1 ZINC000501308599 910461321 /nfs/dbraw/zinc/46/13/21/910461321.db2.gz UUTGEVPWYZQMRM-ZDUSSCGKSA-N -1 0 403.829 4.429 20 30 HIEDRM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000502777574 911801495 /nfs/dbraw/zinc/80/14/95/911801495.db2.gz MUQFZTIPXOSLFK-CQSZACIVSA-N -1 0 417.918 4.027 20 30 HIEDRM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502811547 911828114 /nfs/dbraw/zinc/82/81/14/911828114.db2.gz JPLYCKLHWSZUEJ-UHFFFAOYSA-N -1 0 415.298 4.081 20 30 HIEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000506601674 915254753 /nfs/dbraw/zinc/25/47/53/915254753.db2.gz MCPHWUDQMQPBET-UHFFFAOYSA-N -1 0 424.478 4.306 20 30 HIEDRM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)c1 ZINC000506638271 915307919 /nfs/dbraw/zinc/30/79/19/915307919.db2.gz BXIUIBKFWXXFDZ-UHFFFAOYSA-N -1 0 424.478 4.306 20 30 HIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000506646617 915316169 /nfs/dbraw/zinc/31/61/69/915316169.db2.gz QTQQSVBWYFOLKE-NSHDSACASA-N -1 0 412.334 4.039 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000506718977 915396184 /nfs/dbraw/zinc/39/61/84/915396184.db2.gz KYAUJQVROQAWFZ-UHFFFAOYSA-N -1 0 423.347 4.103 20 30 HIEDRM COc1cc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)ccc1C(F)(F)F ZINC000507963844 916818543 /nfs/dbraw/zinc/81/85/43/916818543.db2.gz IFFXAYNUNVHWKQ-UHFFFAOYSA-N -1 0 403.275 4.071 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Br)nc2ccccc12 ZINC000508109594 916926296 /nfs/dbraw/zinc/92/62/96/916926296.db2.gz ABCLXCNPMWOTFW-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3cc4cc(Cl)ccc4s3)o2)c1 ZINC000508229795 917048229 /nfs/dbraw/zinc/04/82/29/917048229.db2.gz GENRQCXGPXHPJM-UHFFFAOYSA-N -1 0 416.871 4.277 20 30 HIEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1c(C#N)cnn1C1CCCC1 ZINC000509253665 917947513 /nfs/dbraw/zinc/94/75/13/917947513.db2.gz IRFICRYVFHHFLC-UHFFFAOYSA-N -1 0 404.879 4.379 20 30 HIEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000509382629 918048902 /nfs/dbraw/zinc/04/89/02/918048902.db2.gz DGNFBBZKWJUIDU-UHFFFAOYSA-N -1 0 419.222 4.335 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000509612948 918261737 /nfs/dbraw/zinc/26/17/37/918261737.db2.gz GVWYEELBZGXJAV-UHFFFAOYSA-N -1 0 416.405 4.438 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1C#N ZINC000509992831 918579118 /nfs/dbraw/zinc/57/91/18/918579118.db2.gz PZTIGARLOTXOQF-CZUORRHYSA-N -1 0 421.444 4.466 20 30 HIEDRM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000511726859 920392235 /nfs/dbraw/zinc/39/22/35/920392235.db2.gz LCYIYWQBULMZGQ-UHFFFAOYSA-N -1 0 422.462 4.246 20 30 HIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(Br)c(C)c([N+](=O)[O-])c3)nc21 ZINC000511930371 920679522 /nfs/dbraw/zinc/67/95/22/920679522.db2.gz OSSSBFVMLRKVFV-LBPRGKRZSA-N -1 0 413.231 4.341 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000513670890 921994095 /nfs/dbraw/zinc/99/40/95/921994095.db2.gz CUOCYKZOYJKPNR-LJQANCHMSA-N -1 0 418.460 4.311 20 30 HIEDRM N#C[C@H](C(=O)c1cc2ccccc2[nH]c1=O)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000513682059 922003552 /nfs/dbraw/zinc/00/35/52/922003552.db2.gz NZOUYIJGEXYWCK-CQSZACIVSA-N -1 0 416.462 4.020 20 30 HIEDRM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000513812446 922135793 /nfs/dbraw/zinc/13/57/93/922135793.db2.gz LBTIOLIQSNDLRY-UHFFFAOYSA-N -1 0 422.462 4.246 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000515633965 923233781 /nfs/dbraw/zinc/23/37/81/923233781.db2.gz NGJMLSAVNZOYKE-UHFFFAOYSA-N -1 0 405.479 4.425 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)onc2-c2ccccc2Cl)n1 ZINC000516788040 923887216 /nfs/dbraw/zinc/88/72/16/923887216.db2.gz ROWUVSDRLYVKRV-LBPRGKRZSA-N -1 0 415.858 4.427 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c(C)onc2-c2ccccc2Cl)n1 ZINC000516788039 923887327 /nfs/dbraw/zinc/88/73/27/923887327.db2.gz ROWUVSDRLYVKRV-GFCCVEGCSA-N -1 0 415.858 4.427 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3)c2C(C)C)n1 ZINC000516788325 923887584 /nfs/dbraw/zinc/88/75/84/923887584.db2.gz OJSSSBRWLNXRJU-OAHLLOKOSA-N -1 0 408.483 4.119 20 30 HIEDRM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000517800659 926842279 /nfs/dbraw/zinc/84/22/79/926842279.db2.gz AGGNYILNSJCMGP-WRHNGFHOSA-N -1 0 405.504 4.050 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n(CCC#N)n1 ZINC000518740093 927467790 /nfs/dbraw/zinc/46/77/90/927467790.db2.gz HWRXEDGPOMQFNJ-UHFFFAOYSA-N -1 0 416.890 4.352 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1-n1cccc1 ZINC000518870671 927580276 /nfs/dbraw/zinc/58/02/76/927580276.db2.gz DHIRYWTZPWBMIL-GFCCVEGCSA-N -1 0 409.421 4.103 20 30 HIEDRM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000519945195 928178653 /nfs/dbraw/zinc/17/86/53/928178653.db2.gz KQIBVQHDHSZUPL-AWEZNQCLSA-N -1 0 421.407 4.424 20 30 HIEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] ZINC000520429167 928559071 /nfs/dbraw/zinc/55/90/71/928559071.db2.gz IVQBXOKPHSNUPK-LLVKDONJSA-N -1 0 415.377 4.495 20 30 HIEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000521261407 929087312 /nfs/dbraw/zinc/08/73/12/929087312.db2.gz RQRJZQGIFLSNCK-HJFSHJIFSA-N -1 0 416.474 4.457 20 30 HIEDRM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000521261408 929088013 /nfs/dbraw/zinc/08/80/13/929088013.db2.gz RQRJZQGIFLSNCK-POXGOYDTSA-N -1 0 416.474 4.457 20 30 HIEDRM C=CCN(C(=O)Nc1ccc(C)c(OC(F)F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000521529329 929277325 /nfs/dbraw/zinc/27/73/25/929277325.db2.gz LBBGCDGVFJGDKZ-KRWDZBQOSA-N -1 0 404.413 4.312 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(N4CCCCC4)n3)n2)cc1 ZINC000524810019 929838454 /nfs/dbraw/zinc/83/84/54/929838454.db2.gz LKTFRAJCJXCTEQ-KRWDZBQOSA-N -1 0 403.511 4.389 20 30 HIEDRM COc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cn2)cc1 ZINC000525020074 929980899 /nfs/dbraw/zinc/98/08/99/929980899.db2.gz NEMAZOCABDGKJI-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2F)sc1Cc1ccc(C)cc1 ZINC000525327488 930165189 /nfs/dbraw/zinc/16/51/89/930165189.db2.gz RNVLMYWUMDLDGU-UHFFFAOYSA-N -1 0 401.488 4.162 20 30 HIEDRM N#CC(=C([O-])c1cnc2n[nH]nc2c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000527351643 930644013 /nfs/dbraw/zinc/64/40/13/930644013.db2.gz RZMTVQMBLKPCFO-LLVKDONJSA-N -1 0 415.265 4.273 20 30 HIEDRM C[C@H](C#N)CN(C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-])C1CC1 ZINC000533150534 931787285 /nfs/dbraw/zinc/78/72/85/931787285.db2.gz HBZSVWLDDUHDNF-SNVBAGLBSA-N -1 0 412.799 4.014 20 30 HIEDRM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(C(F)F)n1 ZINC000534168825 932313377 /nfs/dbraw/zinc/31/33/77/932313377.db2.gz OPDIFCOEUKFCQP-UHFFFAOYSA-N -1 0 422.379 4.168 20 30 HIEDRM COCCOc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nc2ccccc21 ZINC000534668695 932637613 /nfs/dbraw/zinc/63/76/13/932637613.db2.gz FOJOQFAEGZLRLO-OAHLLOKOSA-N -1 0 415.371 4.164 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)sc1Br ZINC000534668651 932638155 /nfs/dbraw/zinc/63/81/55/932638155.db2.gz CQCPMXRNEQTSDI-QMMMGPOBSA-N -1 0 405.195 4.423 20 30 HIEDRM COCCOc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nc2ccccc21 ZINC000535385264 933107139 /nfs/dbraw/zinc/10/71/39/933107139.db2.gz YTNWJZYISSCWAS-OAHLLOKOSA-N -1 0 403.463 4.360 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c2cnn(Cc3cccs3)c2n1 ZINC000540777574 939368658 /nfs/dbraw/zinc/36/86/58/939368658.db2.gz UYWATNTTXAHLAM-MRXNPFEDSA-N -1 0 413.462 4.481 20 30 HIEDRM COc1cccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1[N+](=O)[O-] ZINC000563679448 945250788 /nfs/dbraw/zinc/25/07/88/945250788.db2.gz NLCRRDVGQWQAEU-LLVKDONJSA-N -1 0 415.377 4.495 20 30 HIEDRM O=C(N[C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000541748402 939619535 /nfs/dbraw/zinc/61/95/35/939619535.db2.gz LDCUFMNJUIBJME-ZDUSSCGKSA-N -1 0 415.236 4.444 20 30 HIEDRM Cc1cc(Br)cc2c1[n-]cc(-c1noc(Cc3ccc(C#N)cc3)n1)c2=O ZINC000545778429 940586942 /nfs/dbraw/zinc/58/69/42/940586942.db2.gz SBGSKNMNIFFRLG-UHFFFAOYSA-N -1 0 421.254 4.112 20 30 HIEDRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000545860965 940641197 /nfs/dbraw/zinc/64/11/97/940641197.db2.gz XUMYZXVGRSEFSZ-UHFFFAOYSA-N -1 0 400.891 4.457 20 30 HIEDRM Cc1c(Br)cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000551508466 941491672 /nfs/dbraw/zinc/49/16/72/941491672.db2.gz ILDPALMYKGNGNJ-CYBMUJFWSA-N -1 0 413.231 4.043 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000553205120 941848983 /nfs/dbraw/zinc/84/89/83/941848983.db2.gz VQOQEMMKBISQRY-HOCLYGCPSA-N -1 0 421.444 4.466 20 30 HIEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(-c2ccccc2)cc1F ZINC000553322426 941867300 /nfs/dbraw/zinc/86/73/00/941867300.db2.gz LUEJVWIIQJFWTD-UHFFFAOYSA-N -1 0 403.457 4.331 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)cc1C#N ZINC000553781974 941967114 /nfs/dbraw/zinc/96/71/14/941967114.db2.gz IHXQWPPLDPCUOS-LLVKDONJSA-N -1 0 409.433 4.103 20 30 HIEDRM C=CCN(Cc1cccs1)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000555190736 942424290 /nfs/dbraw/zinc/42/42/90/942424290.db2.gz QQKBOKLYJQISAU-UHFFFAOYSA-N -1 0 407.417 4.487 20 30 HIEDRM Cc1c(Br)cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000556566626 942900231 /nfs/dbraw/zinc/90/02/31/942900231.db2.gz LKLNHGTZQLNZAU-GFCCVEGCSA-N -1 0 400.188 4.297 20 30 HIEDRM CC(C)(C#N)CCS(=O)(=O)[N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000558431996 943557685 /nfs/dbraw/zinc/55/76/85/943557685.db2.gz IWMRADBTSQYEPH-LBPRGKRZSA-N -1 0 418.359 4.048 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)c2cccnc12 ZINC000558450355 943562185 /nfs/dbraw/zinc/56/21/85/943562185.db2.gz NPFNLMBIMHRXRV-UHFFFAOYSA-N -1 0 420.519 4.263 20 30 HIEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(Oc3ccnc4ccccc43)cc2)c1 ZINC000568690523 946658067 /nfs/dbraw/zinc/65/80/67/946658067.db2.gz DWEVVLYJMHDFMB-UHFFFAOYSA-N -1 0 402.435 4.095 20 30 HIEDRM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC000574825416 948536395 /nfs/dbraw/zinc/53/63/95/948536395.db2.gz LDJYJFYYMUPEGM-UHFFFAOYSA-N -1 0 422.488 4.166 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)cc1 ZINC000436026604 861319377 /nfs/dbraw/zinc/31/93/77/861319377.db2.gz JOWLHQZRADUZAY-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2CCCC2)c(C)c1 ZINC000006316971 845190434 /nfs/dbraw/zinc/19/04/34/845190434.db2.gz QOLKVQFEKILVJB-UHFFFAOYSA-N -1 0 402.476 4.354 20 30 HIEDRM Cc1cccc2c1NC(=O)C2=N[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006672123 845218418 /nfs/dbraw/zinc/21/84/18/845218418.db2.gz KLVSRIJKXAONHS-UHFFFAOYSA-N -1 0 409.280 4.248 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NCCSc3ccc(C)cc3)cc2[n-]c1=S ZINC000009889008 845599595 /nfs/dbraw/zinc/59/95/95/845599595.db2.gz SSKONEZMYUTION-UHFFFAOYSA-N -1 0 411.552 4.076 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2sc(-c3ccc(F)cc3)nc2C)n1 ZINC000018017651 846284973 /nfs/dbraw/zinc/28/49/73/846284973.db2.gz BVHOOGBHCJRAGG-AWEZNQCLSA-N -1 0 415.471 4.056 20 30 HIEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000029329673 847546809 /nfs/dbraw/zinc/54/68/09/847546809.db2.gz WZDPIIVMTRSRRB-UHFFFAOYSA-N -1 0 400.287 4.102 20 30 HIEDRM C=CCN(C(=O)c1ccc(Cl)c(Cl)c1[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436552773 861848538 /nfs/dbraw/zinc/84/85/38/861848538.db2.gz CWAPBPXCJPXNRG-LBPRGKRZSA-N -1 0 418.284 4.064 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)n1 ZINC000041516951 848225547 /nfs/dbraw/zinc/22/55/47/848225547.db2.gz BRLIZMDLSPVFMB-AWEZNQCLSA-N -1 0 409.471 4.390 20 30 HIEDRM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)o1 ZINC000041552694 848231150 /nfs/dbraw/zinc/23/11/50/848231150.db2.gz XUZIFAMBHRIGCU-CYBMUJFWSA-N -1 0 406.389 4.209 20 30 HIEDRM CN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436659827 861884867 /nfs/dbraw/zinc/88/48/67/861884867.db2.gz ACVFQGVXNFZBPK-UHFFFAOYSA-N -1 0 424.092 4.061 20 30 HIEDRM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000436754399 861937543 /nfs/dbraw/zinc/93/75/43/861937543.db2.gz IMLPRIMVBUBJOD-OAQYLSRUSA-N -1 0 405.885 4.221 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000047991981 849148588 /nfs/dbraw/zinc/14/85/88/849148588.db2.gz GNHNSTSEGLGCLO-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM N#CC(=C([O-])c1ccc(CNC(=O)c2cccs2)cc1)c1nc2ccccc2o1 ZINC000054736071 849915237 /nfs/dbraw/zinc/91/52/37/849915237.db2.gz UZWYAYBQEVXAMU-INIZCTEOSA-N -1 0 401.447 4.309 20 30 HIEDRM CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055638438 850086860 /nfs/dbraw/zinc/08/68/60/850086860.db2.gz AQWCBADEWVERDN-UHFFFAOYSA-N -1 0 411.405 4.116 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)s1 ZINC000055652352 850098266 /nfs/dbraw/zinc/09/82/66/850098266.db2.gz PAEHMMDSWNNTLW-UHFFFAOYSA-N -1 0 411.508 4.290 20 30 HIEDRM C=CCc1cc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(OC)c1O ZINC000436941382 862119520 /nfs/dbraw/zinc/11/95/20/862119520.db2.gz PPNWZIGNEAFVNW-BOPFTXTBSA-N -1 0 416.477 4.362 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000058707713 850897378 /nfs/dbraw/zinc/89/73/78/850897378.db2.gz QUSCAMOXYQYQPE-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] ZINC000064714295 851964421 /nfs/dbraw/zinc/96/44/21/851964421.db2.gz IVQBXOKPHSNUPK-NSHDSACASA-N -1 0 415.377 4.495 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2csc(Cc3ccc(F)cc3)n2)s1 ZINC000065484726 852156392 /nfs/dbraw/zinc/15/63/92/852156392.db2.gz KZLOSFCPUVYBMU-UHFFFAOYSA-N -1 0 410.517 4.131 20 30 HIEDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000437178191 862370643 /nfs/dbraw/zinc/37/06/43/862370643.db2.gz CNCHUPAVFGNMCS-UHFFFAOYSA-N -1 0 404.439 4.133 20 30 HIEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2sccc2Br)c1C ZINC000097465441 852614801 /nfs/dbraw/zinc/61/48/01/852614801.db2.gz WDCAXWJLSYIKDH-UHFFFAOYSA-N -1 0 402.335 4.438 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000132558203 853372119 /nfs/dbraw/zinc/37/21/19/853372119.db2.gz WJVKAAIIFOZJPX-UHFFFAOYSA-N -1 0 412.117 4.490 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)c1 ZINC000160712638 853646407 /nfs/dbraw/zinc/64/64/07/853646407.db2.gz RQDBRIXUWNVFQI-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c3c2CCCC3)cc1 ZINC000303289243 854854430 /nfs/dbraw/zinc/85/44/30/854854430.db2.gz ALRBZRCLJUGZCD-IBGZPJMESA-N -1 0 409.493 4.436 20 30 HIEDRM N#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl)c1ccccc1 ZINC000314745760 855377309 /nfs/dbraw/zinc/37/73/09/855377309.db2.gz CUEMMBSREYXDSH-CYBMUJFWSA-N -1 0 420.115 4.299 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Br)ccc1Cl ZINC000385771727 855441430 /nfs/dbraw/zinc/44/14/30/855441430.db2.gz KNHPQRMGYQTPLF-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM CCn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cn1 ZINC000426564553 856350731 /nfs/dbraw/zinc/35/07/31/856350731.db2.gz GFURUMWJKOSWDV-LBPRGKRZSA-N -1 0 424.436 4.185 20 30 HIEDRM Cn1ccnc1Sc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427203129 856710649 /nfs/dbraw/zinc/71/06/49/856710649.db2.gz IJDHGTNZEQYYNG-UHFFFAOYSA-N -1 0 422.894 4.036 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(F)cc3Cl)n2)cc1F ZINC000427641470 856894898 /nfs/dbraw/zinc/89/48/98/856894898.db2.gz HOXKPQLWVMWHFA-UHFFFAOYSA-N -1 0 405.813 4.353 20 30 HIEDRM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3C#N)cc2s1 ZINC000427751313 856937390 /nfs/dbraw/zinc/93/73/90/856937390.db2.gz CAEAPSOHZOZDTH-UHFFFAOYSA-N -1 0 408.302 4.040 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(F)(F)F)cc1F ZINC000427789702 856955660 /nfs/dbraw/zinc/95/56/60/856955660.db2.gz NYRGYGBJCVYCOF-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000430071819 858019822 /nfs/dbraw/zinc/01/98/22/858019822.db2.gz PGBHNEZQCPRWCL-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM CCOC(=O)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc([N+](=O)[O-])c1 ZINC000430613207 858237473 /nfs/dbraw/zinc/23/74/73/858237473.db2.gz VQMNVMMFWNNABP-CQSZACIVSA-N -1 0 401.444 4.016 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1-c1cccc2ncccc21 ZINC000430634908 858241954 /nfs/dbraw/zinc/24/19/54/858241954.db2.gz TUVBLTYFOQYOHW-HNNXBMFYSA-N -1 0 416.510 4.368 20 30 HIEDRM CC(C)(c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1)C(F)(F)F ZINC000432058552 858957513 /nfs/dbraw/zinc/95/75/13/858957513.db2.gz AXCUAAXMEYBJMM-UHFFFAOYSA-N -1 0 413.377 4.107 20 30 HIEDRM N#CCCn1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)c(-c2ccncc2)n1 ZINC000432701597 859304369 /nfs/dbraw/zinc/30/43/69/859304369.db2.gz ABBGFCAPAFIDTO-VBKFSLOCSA-N -1 0 415.478 4.484 20 30 HIEDRM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000432966837 859452958 /nfs/dbraw/zinc/45/29/58/859452958.db2.gz MUPKZDDCXRWQEZ-CQSZACIVSA-N -1 0 415.330 4.409 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cc1Br ZINC000432968691 859454075 /nfs/dbraw/zinc/45/40/75/859454075.db2.gz BIZXIGYHKUXJQO-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM Cc1cc(F)cc(-n2cc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)nn2)c1 ZINC000434620524 860434220 /nfs/dbraw/zinc/43/42/20/860434220.db2.gz KTNLCBNZCYZXAK-CQSZACIVSA-N -1 0 411.849 4.468 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cn(C)nc3-c3ccoc3)n2)cc1 ZINC000434626461 860438299 /nfs/dbraw/zinc/43/82/99/860438299.db2.gz YQFKCPHWFLSBOT-INIZCTEOSA-N -1 0 404.451 4.302 20 30 HIEDRM COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OCc1ccc(F)cc1 ZINC000435337218 860747474 /nfs/dbraw/zinc/74/74/74/860747474.db2.gz UPJRJCPUHRUTRY-GXDHUFHOSA-N -1 0 405.429 4.237 20 30 HIEDRM COc1ccccc1COc1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1C ZINC000435495503 860821927 /nfs/dbraw/zinc/82/19/27/860821927.db2.gz GRDLZQVYEAQTLJ-UHFFFAOYSA-N -1 0 414.508 4.317 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)s1 ZINC000435501929 860825383 /nfs/dbraw/zinc/82/53/83/860825383.db2.gz OJBAJBRUBGSHOD-UHFFFAOYSA-N -1 0 405.888 4.048 20 30 HIEDRM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)c1C ZINC000438719172 864202092 /nfs/dbraw/zinc/20/20/92/864202092.db2.gz RXTRWZXNRDJUBF-UHFFFAOYSA-N -1 0 414.462 4.124 20 30 HIEDRM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1ccc(F)cc1C(F)(F)F ZINC000438760333 864254389 /nfs/dbraw/zinc/25/43/89/864254389.db2.gz KSRHRRYLCDFJCJ-UHFFFAOYSA-N -1 0 403.275 4.370 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)CC)c2)cnn1-c1cccc(C#N)c1 ZINC000438810444 864302644 /nfs/dbraw/zinc/30/26/44/864302644.db2.gz KJQWVASQJOFJFD-UHFFFAOYSA-N -1 0 422.510 4.090 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cccc(C)c2Cl)cnn1-c1cccc(C#N)c1 ZINC000438838927 864333097 /nfs/dbraw/zinc/33/30/97/864333097.db2.gz VRHOFXFWKGIOKM-UHFFFAOYSA-N -1 0 414.918 4.459 20 30 HIEDRM CCN(C[C@H](C)C#N)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000438995141 864453850 /nfs/dbraw/zinc/45/38/50/864453850.db2.gz MUJRKSVZZQZNOU-SECBINFHSA-N -1 0 401.681 4.160 20 30 HIEDRM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)cc1F ZINC000440670821 865861632 /nfs/dbraw/zinc/86/16/32/865861632.db2.gz NZGGPTXTTKZGAT-UHFFFAOYSA-N -1 0 416.368 4.085 20 30 HIEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)cc2=O)cc1 ZINC000468109443 881927773 /nfs/dbraw/zinc/92/77/73/881927773.db2.gz QKYVQNNMXIGHMW-UHFFFAOYSA-N -1 0 410.433 4.390 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cn1 ZINC000441335233 866407214 /nfs/dbraw/zinc/40/72/14/866407214.db2.gz YUCDRBYMCPTBLN-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM CC(C)c1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccccc1F ZINC000442614088 867559322 /nfs/dbraw/zinc/55/93/22/867559322.db2.gz GMQNCYCLFYPWOK-ZDUSSCGKSA-N -1 0 417.366 4.434 20 30 HIEDRM Cc1cc(=O)c(C([O-])=C(C#N)c2nc3ccccc3s2)nn1-c1cccc(Cl)c1 ZINC000442618639 867563035 /nfs/dbraw/zinc/56/30/35/867563035.db2.gz RHHLLKUCCGNIFK-HNNXBMFYSA-N -1 0 420.881 4.294 20 30 HIEDRM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000443418369 868001962 /nfs/dbraw/zinc/00/19/62/868001962.db2.gz ORMKQFFEYSTGCW-UHFFFAOYSA-N -1 0 408.936 4.487 20 30 HIEDRM CC(=O)Nc1ccc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000444461242 868836952 /nfs/dbraw/zinc/83/69/52/868836952.db2.gz QNYFBGIYNBCTRU-LJQANCHMSA-N -1 0 400.463 4.439 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)s2)cc1 ZINC000446825023 870741214 /nfs/dbraw/zinc/74/12/14/870741214.db2.gz HUBXFDLPIYITHC-UHFFFAOYSA-N -1 0 421.906 4.340 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3F)nc2)ccc1Cl ZINC000447257884 871135017 /nfs/dbraw/zinc/13/50/17/871135017.db2.gz BWEGGBYUOZXBGS-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM CCc1ncc(S(=O)(=O)[N-]c2ccccc2COc2ccc(CC#N)cc2)s1 ZINC000460752164 873588498 /nfs/dbraw/zinc/58/84/98/873588498.db2.gz CYOBJHDQQMJHPK-UHFFFAOYSA-N -1 0 413.524 4.151 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460824858 873708939 /nfs/dbraw/zinc/70/89/39/873708939.db2.gz TTXRPZIRMLQRJR-CQSZACIVSA-N -1 0 416.503 4.064 20 30 HIEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(OCc4cccc(C#N)c4)cc3)cc2=O)cc1 ZINC000468754937 882844413 /nfs/dbraw/zinc/84/44/13/882844413.db2.gz AEOTZNUXQAWKPQ-UHFFFAOYSA-N -1 0 424.460 4.177 20 30 HIEDRM N#Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)[n-]c1C#N ZINC000468773620 882853782 /nfs/dbraw/zinc/85/37/82/882853782.db2.gz APVLEWTWCZJCCL-UHFFFAOYSA-N -1 0 424.829 4.118 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)cc1Cl ZINC000468799400 882865068 /nfs/dbraw/zinc/86/50/68/882865068.db2.gz CJOBOJQGYVWUKR-UHFFFAOYSA-N -1 0 416.871 4.277 20 30 HIEDRM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000462359176 875473505 /nfs/dbraw/zinc/47/35/05/875473505.db2.gz NIUKVKVWTTUEGX-UHFFFAOYSA-N -1 0 401.831 4.382 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000463526507 876596148 /nfs/dbraw/zinc/59/61/48/876596148.db2.gz PIEXVESBUWMLNW-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(COCc2ccccc2)cc1 ZINC000463792201 876910514 /nfs/dbraw/zinc/91/05/14/876910514.db2.gz VXJVDUFHXZMLSJ-UHFFFAOYSA-N -1 0 408.479 4.084 20 30 HIEDRM COc1ccc(-n2nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc2C)cc1 ZINC000464411948 877616792 /nfs/dbraw/zinc/61/67/92/877616792.db2.gz PIDFFEFQIJQFCA-INIZCTEOSA-N -1 0 400.360 4.093 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000464413291 877618570 /nfs/dbraw/zinc/61/85/70/877618570.db2.gz YRZHVVCTQOGGTQ-UHFFFAOYSA-N -1 0 413.524 4.032 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccccc2F)c2c1CCC2)c1cc(C(F)(F)F)ccn1 ZINC000464463278 877684874 /nfs/dbraw/zinc/68/48/74/877684874.db2.gz FJAKYULJAJRXHC-CQSZACIVSA-N -1 0 414.362 4.404 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(OC)cc1 ZINC000464471012 877692694 /nfs/dbraw/zinc/69/26/94/877692694.db2.gz XDVOJANVCFJMGH-INIZCTEOSA-N -1 0 414.387 4.347 20 30 HIEDRM CS(=O)(=O)c1csc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000503385784 912368104 /nfs/dbraw/zinc/36/81/04/912368104.db2.gz KWDLTSQJNFYEAU-CYBMUJFWSA-N -1 0 422.940 4.419 20 30 HIEDRM Cc1cc(NC(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)ccc1Br ZINC000465452998 878883920 /nfs/dbraw/zinc/88/39/20/878883920.db2.gz OAYLUJMQJZCTBS-UHFFFAOYSA-N -1 0 419.323 4.052 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)c(F)c1 ZINC000466259298 879986105 /nfs/dbraw/zinc/98/61/05/879986105.db2.gz MMCSHOOWTAZCCQ-UHFFFAOYSA-N -1 0 408.373 4.134 20 30 HIEDRM C=CC[C@@H](CC)NC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000466366222 880124676 /nfs/dbraw/zinc/12/46/76/880124676.db2.gz DUWAVMDUFIDNHL-MRXNPFEDSA-N -1 0 417.531 4.281 20 30 HIEDRM C=CC[C@H](CC)NC(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000466378053 880137872 /nfs/dbraw/zinc/13/78/72/880137872.db2.gz XUNSYSLPKCJWKW-GJZGRUSLSA-N -1 0 407.561 4.264 20 30 HIEDRM C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000466378055 880138433 /nfs/dbraw/zinc/13/84/33/880138433.db2.gz XUNSYSLPKCJWKW-LSDHHAIUSA-N -1 0 407.561 4.264 20 30 HIEDRM CC#CCCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000466785781 880565092 /nfs/dbraw/zinc/56/50/92/880565092.db2.gz JBXZHVMOUFBVQQ-UHFFFAOYSA-N -1 0 420.918 4.282 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(C)cc2O[C@H](C)CC(C)C)cc1C#N ZINC000469157188 883253399 /nfs/dbraw/zinc/25/33/99/883253399.db2.gz WLAFMWDUANRKFU-OAHLLOKOSA-N -1 0 413.543 4.433 20 30 HIEDRM Cc1ccnc(Oc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)ccc2C)c1 ZINC000471108099 885643028 /nfs/dbraw/zinc/64/30/28/885643028.db2.gz LYABGZMRTCLASA-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nn1-c1cccc(Cl)c1 ZINC000504054833 912959791 /nfs/dbraw/zinc/95/97/91/912959791.db2.gz BPNLBRYSJGILRV-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM COc1ccsc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1C ZINC000471129755 885669127 /nfs/dbraw/zinc/66/91/27/885669127.db2.gz FAAXCRUAKWGSDC-UHFFFAOYSA-N -1 0 414.508 4.317 20 30 HIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471605794 886320486 /nfs/dbraw/zinc/32/04/86/886320486.db2.gz JSXVTGDTJHRKRP-UHFFFAOYSA-N -1 0 403.660 4.223 20 30 HIEDRM CCn1nccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000471931357 886724796 /nfs/dbraw/zinc/72/47/96/886724796.db2.gz CIKZUCHXTNIWHL-UHFFFAOYSA-N -1 0 402.863 4.021 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(OC)cc1 ZINC000473486374 888208079 /nfs/dbraw/zinc/20/80/79/888208079.db2.gz CSNGCUCWHWZNDQ-MRXNPFEDSA-N -1 0 414.387 4.347 20 30 HIEDRM N#CC(=C([O-])c1ccc2nc(C(F)(F)F)cn2c1)c1nc(-c2ccncc2)cs1 ZINC000473490354 888212132 /nfs/dbraw/zinc/21/21/32/888212132.db2.gz OLLAYYMMTZABJO-ZDUSSCGKSA-N -1 0 413.384 4.362 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1OC ZINC000473767766 888565464 /nfs/dbraw/zinc/56/54/64/888565464.db2.gz UNRAKDYSRZKWKP-UHFFFAOYSA-N -1 0 402.516 4.306 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)nc2n(c3=O)CCCCC2)n1 ZINC000474437882 889303241 /nfs/dbraw/zinc/30/32/41/889303241.db2.gz ILJDCLZCEOYAHO-MRXNPFEDSA-N -1 0 406.511 4.193 20 30 HIEDRM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1cc(F)c(F)c(F)c1 ZINC000475784664 890726937 /nfs/dbraw/zinc/72/69/37/890726937.db2.gz CPCUVKBCAMDEPA-UHFFFAOYSA-N -1 0 402.291 4.018 20 30 HIEDRM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1ccc(C(F)(F)F)nc1 ZINC000475808860 890743490 /nfs/dbraw/zinc/74/34/90/890743490.db2.gz KCOLRFWDNRQHOV-UHFFFAOYSA-N -1 0 417.306 4.015 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Br)c(Cl)c2)n1 ZINC000477841595 892899903 /nfs/dbraw/zinc/89/99/03/892899903.db2.gz NHRLRHJVRKYASY-SECBINFHSA-N -1 0 413.680 4.226 20 30 HIEDRM C[C@H]1CCN(c2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccn2)C1 ZINC000478536247 893837564 /nfs/dbraw/zinc/83/75/64/893837564.db2.gz JINRIVPDMLNAFQ-KXBFYZLASA-N -1 0 413.506 4.413 20 30 HIEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccccc1Br ZINC000479323833 894613025 /nfs/dbraw/zinc/61/30/25/894613025.db2.gz ZBNOXGPADPXXRU-UHFFFAOYSA-N -1 0 413.296 4.045 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c1 ZINC000479481046 894802942 /nfs/dbraw/zinc/80/29/42/894802942.db2.gz GFJPVKCQZQUAPG-UHFFFAOYSA-N -1 0 408.917 4.015 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000479521209 894831946 /nfs/dbraw/zinc/83/19/46/894831946.db2.gz AZKWZLQSQOLDDZ-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c3cccnc23)ccc1Cl ZINC000479576397 894868641 /nfs/dbraw/zinc/86/86/41/894868641.db2.gz UEJRABWAIVLENK-UHFFFAOYSA-N -1 0 409.801 4.162 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2Oc2ccccc2C#N)n1 ZINC000480914919 896273589 /nfs/dbraw/zinc/27/35/89/896273589.db2.gz QGTRSLCECZZCKW-INIZCTEOSA-N -1 0 417.446 4.474 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cccc(Br)c3)cn2)cc1 ZINC000481868801 897238833 /nfs/dbraw/zinc/23/88/33/897238833.db2.gz DBMQPNQPIOHTCV-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM N#CCCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000505560488 914264852 /nfs/dbraw/zinc/26/48/52/914264852.db2.gz SQXIFTNSQIMPKL-UHFFFAOYSA-N -1 0 415.906 4.190 20 30 HIEDRM COCc1nc2sc(C([O-])=C(C#N)c3nccc4ccccc43)c(C)c2c(OC)n1 ZINC000483220446 898865961 /nfs/dbraw/zinc/86/59/61/898865961.db2.gz XCZLBPGWZYREIY-OAHLLOKOSA-N -1 0 418.478 4.193 20 30 HIEDRM N#CC(=C([O-])c1cc2sc(N3CCCC3)nc2s1)c1cnc2ccccc2n1 ZINC000483996067 899635631 /nfs/dbraw/zinc/63/56/31/899635631.db2.gz SUIZZGGPOVLQPY-LBPRGKRZSA-N -1 0 405.508 4.391 20 30 HIEDRM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 ZINC000505699564 914386923 /nfs/dbraw/zinc/38/69/23/914386923.db2.gz CXKLFTQFFNYJHB-CQSZACIVSA-N -1 0 421.432 4.374 20 30 HIEDRM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000484570141 900039285 /nfs/dbraw/zinc/03/92/85/900039285.db2.gz QPHXRMHRBLPJDL-ZDUSSCGKSA-N -1 0 422.503 4.197 20 30 HIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485072108 900393857 /nfs/dbraw/zinc/39/38/57/900393857.db2.gz JHJQXARKMYXUME-UHFFFAOYSA-N -1 0 402.369 4.328 20 30 HIEDRM C=CCCCCCN(C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000485385577 900681703 /nfs/dbraw/zinc/68/17/03/900681703.db2.gz RTJMFKYSXVOYDJ-UHFFFAOYSA-N -1 0 408.549 4.154 20 30 HIEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000485387602 900683313 /nfs/dbraw/zinc/68/33/13/900683313.db2.gz LWNKVEGTEJZWOS-UHFFFAOYSA-N -1 0 400.287 4.102 20 30 HIEDRM Cn1nc(-c2ccc(Cl)s2)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000486574428 901718085 /nfs/dbraw/zinc/71/80/85/901718085.db2.gz LJHRIOXFCAPCAV-UHFFFAOYSA-N -1 0 413.311 4.128 20 30 HIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000488221974 902701369 /nfs/dbraw/zinc/70/13/69/902701369.db2.gz QEGSORLXYAYFEY-OAHLLOKOSA-N -1 0 423.918 4.121 20 30 HIEDRM CCn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cn1 ZINC000495133207 906262648 /nfs/dbraw/zinc/26/26/48/906262648.db2.gz QOXOIBFPUKSLDF-MRXNPFEDSA-N -1 0 402.483 4.215 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(CSc3ccccn3)c2)cc1C#N ZINC000512568035 921241504 /nfs/dbraw/zinc/24/15/04/921241504.db2.gz DFPTZDIXJCOGKT-UHFFFAOYSA-N -1 0 408.508 4.320 20 30 HIEDRM CC1(C)C(=O)Nc2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc21 ZINC000497368669 906858316 /nfs/dbraw/zinc/85/83/16/906858316.db2.gz XUNZQLFFTZKWNE-MRXNPFEDSA-N -1 0 412.474 4.402 20 30 HIEDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000512964933 921440977 /nfs/dbraw/zinc/44/09/77/921440977.db2.gz XBHKUMNJQZQVMU-FSPWUOQZSA-N -1 0 402.479 4.290 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1c(Cl)cccc1Cl ZINC000501331349 910473162 /nfs/dbraw/zinc/47/31/62/910473162.db2.gz UOTYLGBAWZEKLG-LBPRGKRZSA-N -1 0 415.284 4.033 20 30 HIEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000506784241 915509731 /nfs/dbraw/zinc/50/97/31/915509731.db2.gz ZYHVPMJSSUTCOE-MRXNPFEDSA-N -1 0 417.687 4.008 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(-c2ccc3c(c2)CCO3)n1 ZINC000507270206 916033999 /nfs/dbraw/zinc/03/39/99/916033999.db2.gz NWJOWKNQAWFBJF-UHFFFAOYSA-N -1 0 411.870 4.009 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2ncc3n2CCCC3)cc1 ZINC000507271896 916034553 /nfs/dbraw/zinc/03/45/53/916034553.db2.gz XNFQBFXVUSJJGN-UHFFFAOYSA-N -1 0 412.902 4.212 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1C#N ZINC000507282435 916047831 /nfs/dbraw/zinc/04/78/31/916047831.db2.gz MEQQAMSWCZUOMM-SFHVURJKSA-N -1 0 419.510 4.138 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)cc1C#N ZINC000507282434 916048856 /nfs/dbraw/zinc/04/88/56/916048856.db2.gz MEQQAMSWCZUOMM-GOSISDBHSA-N -1 0 419.510 4.138 20 30 HIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(F)c(Br)c(Cl)c1 ZINC000507632841 916392390 /nfs/dbraw/zinc/39/23/90/916392390.db2.gz BSQHGCBAJZZZFR-UHFFFAOYSA-N -1 0 403.660 4.108 20 30 HIEDRM CC1(C#N)CCN(C(=O)c2nn(-c3ccc(Cl)cc3C(F)(F)F)cc2[O-])CC1 ZINC000507825239 916626247 /nfs/dbraw/zinc/62/62/47/916626247.db2.gz MADGHWWPEUHPDU-UHFFFAOYSA-N -1 0 412.799 4.016 20 30 HIEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000507987312 916830677 /nfs/dbraw/zinc/83/06/77/916830677.db2.gz XOLYVJKNLHISEB-UHFFFAOYSA-N -1 0 405.907 4.233 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)c1 ZINC000508130905 916950190 /nfs/dbraw/zinc/95/01/90/916950190.db2.gz IMDQOPVLPHMJOO-INIZCTEOSA-N -1 0 413.808 4.275 20 30 HIEDRM C=C(C)CCc1noc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)n1 ZINC000508643484 917408964 /nfs/dbraw/zinc/40/89/64/917408964.db2.gz JYIBQYSBFIZIFR-UHFFFAOYSA-N -1 0 413.499 4.363 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1C#N ZINC000509136575 917864092 /nfs/dbraw/zinc/86/40/92/917864092.db2.gz HXYIMOAXCYHLFZ-UHFFFAOYSA-N -1 0 402.888 4.410 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cccc(SC)c2)cnn1-c1cccc(C#N)c1 ZINC000509397174 918063202 /nfs/dbraw/zinc/06/32/02/918063202.db2.gz QYOHZCOTJWXGSI-UHFFFAOYSA-N -1 0 412.540 4.219 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000509553538 918203414 /nfs/dbraw/zinc/20/34/14/918203414.db2.gz HSHDWWBHSNYEAE-UHFFFAOYSA-N -1 0 417.393 4.148 20 30 HIEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2C)c1 ZINC000511729700 920396599 /nfs/dbraw/zinc/39/65/99/920396599.db2.gz MWWIDCBUNCCTSL-UHFFFAOYSA-N -1 0 424.478 4.477 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c(C(F)(F)F)c1 ZINC000515692855 923276916 /nfs/dbraw/zinc/27/69/16/923276916.db2.gz NYXLDNAMYZWCIF-UHFFFAOYSA-N -1 0 410.295 4.276 20 30 HIEDRM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000515695245 923279307 /nfs/dbraw/zinc/27/93/07/923279307.db2.gz CLCIJDWSHXPPSB-UHFFFAOYSA-N -1 0 402.863 4.145 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2cccs2)n1 ZINC000516794765 923889970 /nfs/dbraw/zinc/88/99/70/923889970.db2.gz LFMDHOXXUKGGRR-CQSZACIVSA-N -1 0 410.476 4.102 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cc3ccccc3)c2)o1 ZINC000516888934 923926850 /nfs/dbraw/zinc/92/68/50/923926850.db2.gz NPEWUDXLIUXAFY-UHFFFAOYSA-N -1 0 404.394 4.144 20 30 HIEDRM Cc1cc(C)c(S(=O)(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1C(=O)[O-] ZINC000517519759 924242724 /nfs/dbraw/zinc/24/27/24/924242724.db2.gz OGNXUKLAOFJRDN-AWEZNQCLSA-N -1 0 404.513 4.197 20 30 HIEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n1 ZINC000517800831 926842009 /nfs/dbraw/zinc/84/20/09/926842009.db2.gz LEUAQOAKZVIKPC-LBPRGKRZSA-N -1 0 411.899 4.337 20 30 HIEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)c1 ZINC000518241847 927101857 /nfs/dbraw/zinc/10/18/57/927101857.db2.gz IWKIEBPXFKMUEE-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)N(C)CCCC)c1 ZINC000518281003 927139259 /nfs/dbraw/zinc/13/92/59/927139259.db2.gz YINLLRBWBQMMNL-UHFFFAOYSA-N -1 0 416.543 4.314 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(NCCc3ccccc3)cc2)cc1C#N ZINC000520272801 928437599 /nfs/dbraw/zinc/43/75/99/928437599.db2.gz HQWOXAOOJXVPPR-UHFFFAOYSA-N -1 0 404.495 4.288 20 30 HIEDRM COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1Cl ZINC000520637989 928693555 /nfs/dbraw/zinc/69/35/55/928693555.db2.gz TWFFYTRUAWNBII-UHFFFAOYSA-N -1 0 415.298 4.462 20 30 HIEDRM CC(C)Cc1nc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[nH]2)CCCC4)cs1 ZINC000521178181 929045514 /nfs/dbraw/zinc/04/55/14/929045514.db2.gz NEPSLHWHQMJFNH-LBPRGKRZSA-N -1 0 412.540 4.421 20 30 HIEDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000525021261 929981640 /nfs/dbraw/zinc/98/16/40/929981640.db2.gz WFEHWEMKBLPIMU-GFCCVEGCSA-N -1 0 424.931 4.322 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3Cl)s2)c(F)c1 ZINC000525325436 930162802 /nfs/dbraw/zinc/16/28/02/930162802.db2.gz OJDYFULFKPATMO-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM CN(C)C(=O)Nc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000525327547 930165071 /nfs/dbraw/zinc/16/50/71/930165071.db2.gz VLGCBNHWPAHEGI-SFHVURJKSA-N -1 0 415.478 4.265 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1[O-] ZINC000527204056 930611929 /nfs/dbraw/zinc/61/19/29/930611929.db2.gz CADZBSSIGLTRBY-UHFFFAOYSA-N -1 0 402.888 4.313 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccc(Br)cc2)cn1)c1nc2ccccc2o1 ZINC000533756062 932012553 /nfs/dbraw/zinc/01/25/53/932012553.db2.gz MHDPIYHHIRUHLQ-AWEZNQCLSA-N -1 0 407.227 4.266 20 30 HIEDRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000533912114 932095431 /nfs/dbraw/zinc/09/54/31/932095431.db2.gz OGGZANQHVAWUIR-UHFFFAOYSA-N -1 0 423.344 4.308 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(Br)cc2-n2cncn2)n1 ZINC000534718139 932685631 /nfs/dbraw/zinc/68/56/31/932685631.db2.gz PARPGFFXTIYWJI-CYBMUJFWSA-N -1 0 416.304 4.100 20 30 HIEDRM C=C[C@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccccc1 ZINC000535376871 933101298 /nfs/dbraw/zinc/10/12/98/933101298.db2.gz JBNHNJAQOZLZMC-OAHLLOKOSA-N -1 0 413.524 4.242 20 30 HIEDRM C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1C ZINC000538332562 938595374 /nfs/dbraw/zinc/59/53/74/938595374.db2.gz HNGSLPANINQGOP-KRWDZBQOSA-N -1 0 416.543 4.279 20 30 HIEDRM N#C[C@@H](NC(=O)c1nn(-c2cccc(F)c2)cc1[O-])c1cccc(Cl)c1Cl ZINC000563520618 945210378 /nfs/dbraw/zinc/21/03/78/945210378.db2.gz SZQQZFMHQOROLF-CQSZACIVSA-N -1 0 405.216 4.018 20 30 HIEDRM Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C([O-])=C(C#N)c1nc2c(nccc2C)[nH]1 ZINC000540098508 939070649 /nfs/dbraw/zinc/07/06/49/939070649.db2.gz FZDABUIXZGSDHK-AWEZNQCLSA-N -1 0 424.386 4.474 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)c(Cl)c1 ZINC000541311988 939490457 /nfs/dbraw/zinc/49/04/57/939490457.db2.gz NSWIOSRUJRZIEF-AWEZNQCLSA-N -1 0 410.751 4.072 20 30 HIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543865629 940216311 /nfs/dbraw/zinc/21/63/11/940216311.db2.gz BXDHPENODYPUBF-NSHDSACASA-N -1 0 401.435 4.153 20 30 HIEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000544096883 940325076 /nfs/dbraw/zinc/32/50/76/940325076.db2.gz PGDDNJSMVUMMJO-CQSZACIVSA-N -1 0 406.577 4.209 20 30 HIEDRM CO[C@H](C)c1nc(=NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s[n-]1 ZINC000563878710 945319513 /nfs/dbraw/zinc/31/95/13/945319513.db2.gz UXAPGRISAQATHT-UONOGXRCSA-N -1 0 407.499 4.089 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(SCc3ccccc3Cl)cn2)cn1 ZINC000544842699 940518585 /nfs/dbraw/zinc/51/85/85/940518585.db2.gz KKPFQQRGZFAYGW-UHFFFAOYSA-N -1 0 416.915 4.095 20 30 HIEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 ZINC000545449392 940570456 /nfs/dbraw/zinc/57/04/56/940570456.db2.gz SLDDAQDXMDWKTL-SFHVURJKSA-N -1 0 421.478 4.189 20 30 HIEDRM C=CCCO[C@H](C)c1nc(-c2c[n-]c3c(C)cc(Br)cc3c2=O)no1 ZINC000545782562 940590077 /nfs/dbraw/zinc/59/00/77/940590077.db2.gz XGVMIPPCLSLDMB-LLVKDONJSA-N -1 0 404.264 4.303 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546072466 940691459 /nfs/dbraw/zinc/69/14/59/940691459.db2.gz XFXFYJJFJOMZAC-SNVBAGLBSA-N -1 0 401.307 4.237 20 30 HIEDRM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000546563694 940854409 /nfs/dbraw/zinc/85/44/09/940854409.db2.gz HHGMURTWCBJBIV-UHFFFAOYSA-N -1 0 414.918 4.381 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc4c(cc3OC)OCO4)n2)cc1 ZINC000546861836 940897382 /nfs/dbraw/zinc/89/73/82/940897382.db2.gz PTOBTDVQPGCLKP-OAHLLOKOSA-N -1 0 408.435 4.046 20 30 HIEDRM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000549732616 941205940 /nfs/dbraw/zinc/20/59/40/941205940.db2.gz OAARQZWPDXWOPX-UHFFFAOYSA-N -1 0 411.421 4.402 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000551107770 941411235 /nfs/dbraw/zinc/41/12/35/941411235.db2.gz CVVLNZSEECXKHF-UHFFFAOYSA-N -1 0 408.882 4.094 20 30 HIEDRM O=S(=O)(CCC(F)(F)F)[N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000551564135 941502595 /nfs/dbraw/zinc/50/25/95/941502595.db2.gz RVDXUPADIJOWEA-VIFPVBQESA-N -1 0 419.265 4.060 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC000553260653 941858083 /nfs/dbraw/zinc/85/80/83/941858083.db2.gz VRYVRFHEHGPIKP-CYBMUJFWSA-N -1 0 419.484 4.219 20 30 HIEDRM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000553856531 941984114 /nfs/dbraw/zinc/98/41/14/941984114.db2.gz CDEFJFZOFOZECI-UHFFFAOYSA-N -1 0 406.872 4.014 20 30 HIEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc(-c2c(F)cccc2F)cs1 ZINC000555074302 942377564 /nfs/dbraw/zinc/37/75/64/942377564.db2.gz OLVDELOVKFSERY-LBPRGKRZSA-N -1 0 415.421 4.460 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)cc1Cl ZINC000555950737 942777984 /nfs/dbraw/zinc/77/79/84/942777984.db2.gz JBZNRSFNIPJHDV-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM Cc1c(Br)cc([N+](=O)[O-])cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000556560572 942899485 /nfs/dbraw/zinc/89/94/85/942899485.db2.gz IMMFYVWQFCACIR-ZDUSSCGKSA-N -1 0 411.215 4.099 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000557703454 943262949 /nfs/dbraw/zinc/26/29/49/943262949.db2.gz UMHVGYCCJVWPLD-CYBMUJFWSA-N -1 0 416.524 4.069 20 30 HIEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc(Br)c2Cl)s1 ZINC000558630342 943621167 /nfs/dbraw/zinc/62/11/67/943621167.db2.gz MYUZJOQVBRRTIB-UHFFFAOYSA-N -1 0 405.726 4.399 20 30 HIEDRM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1c(F)cccc1OC(F)(F)F ZINC000561695837 944751503 /nfs/dbraw/zinc/75/15/03/944751503.db2.gz RVUZFRZNNGSKBL-UHFFFAOYSA-N -1 0 419.274 4.266 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2Br)nc2ccccc12 ZINC000562236951 945037214 /nfs/dbraw/zinc/03/72/14/945037214.db2.gz PGYJLHBSWSMIMD-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#CC(=C([O-])c1nccnc1-c1nc2ccccc2s1)c1cnc2ccccc2n1 ZINC000562317901 945058180 /nfs/dbraw/zinc/05/81/80/945058180.db2.gz ZMHZHKGLXUYCRR-ZDUSSCGKSA-N -1 0 408.446 4.187 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc3c(cccc3Br)s2)cc1C#N ZINC000564093692 945377526 /nfs/dbraw/zinc/37/75/26/945377526.db2.gz BWWADSXTCQTCCZ-UHFFFAOYSA-N -1 0 421.301 4.005 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nnn1-c1ccc(F)c(Cl)c1 ZINC000566034357 945983899 /nfs/dbraw/zinc/98/38/99/945983899.db2.gz HYGBOQZHAWVRTB-CYBMUJFWSA-N -1 0 408.824 4.043 20 30 HIEDRM N#Cc1csc(/C=C(\CC(=O)[O-])c2nc3cc(Br)ccc3s2)n1 ZINC000569866571 947025788 /nfs/dbraw/zinc/02/57/88/947025788.db2.gz MBPNGSAMCWHCOP-FPYGCLRLSA-N -1 0 406.286 4.402 20 30 HIEDRM CCN(C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)[C@@H](C)c1ccc(F)cc1 ZINC000569950457 947048658 /nfs/dbraw/zinc/04/86/58/947048658.db2.gz PNGPIGXWOBEBSO-HNNXBMFYSA-N -1 0 400.498 4.091 20 30 HIEDRM N#Cc1cc(Oc2ccc(NC(=O)c3nn(-c4cccc(F)c4)cc3[O-])cc2)ccn1 ZINC000572808361 948017648 /nfs/dbraw/zinc/01/76/48/948017648.db2.gz DNRWMVBTEDPVQT-UHFFFAOYSA-N -1 0 415.384 4.028 20 30 HIEDRM N#CC(=C([O-])c1cnn2c1OCCC2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000573047761 948070953 /nfs/dbraw/zinc/07/09/53/948070953.db2.gz GSMSDLJJNRHZCS-LBMSDSGBSA-N -1 0 408.527 4.080 20 30 HIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1 ZINC000575155259 948607676 /nfs/dbraw/zinc/60/76/76/948607676.db2.gz GCEYJJODZKREAZ-UHFFFAOYSA-N -1 0 402.369 4.326 20 30 HIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436005104 861292633 /nfs/dbraw/zinc/29/26/33/861292633.db2.gz QKTBSMSYQGXBLK-UHFFFAOYSA-N -1 0 410.295 4.118 20 30 HIEDRM COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000001004999 845000858 /nfs/dbraw/zinc/00/08/58/845000858.db2.gz BFLIQEDDCLGMFP-UHFFFAOYSA-N -1 0 423.450 4.330 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(SC(F)(F)F)cc2)n1 ZINC000007144817 845263070 /nfs/dbraw/zinc/26/30/70/845263070.db2.gz QCGIUDNDAWDHBW-GFCCVEGCSA-N -1 0 400.403 4.097 20 30 HIEDRM COc1ccc2cc(C=CC(=O)OCC([O-])=C(C#N)c3nc(C)cs3)ccc2c1 ZINC000007420746 845326736 /nfs/dbraw/zinc/32/67/36/845326736.db2.gz ALFMREDRDGCYMO-RRGNZLCHSA-N -1 0 406.463 4.046 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3F)cc2[n-]c1=S ZINC000018015212 846283062 /nfs/dbraw/zinc/28/30/62/846283062.db2.gz MAFMGWHIJWWANB-LLVKDONJSA-N -1 0 401.438 4.014 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3cc4ccccc4o3)cc2[n-]c1=S ZINC000018203660 846308487 /nfs/dbraw/zinc/30/84/87/846308487.db2.gz XPVFBZCGAVVONK-CYBMUJFWSA-N -1 0 405.479 4.482 20 30 HIEDRM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3c([O-])cc(Cl)cc3Cl)CC2)c1 ZINC000436547780 861845869 /nfs/dbraw/zinc/84/58/69/861845869.db2.gz YGWWHCRWPRYWNP-UHFFFAOYSA-N -1 0 418.280 4.062 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1C#N ZINC000031909567 847963624 /nfs/dbraw/zinc/96/36/24/847963624.db2.gz MGSFJASKBVDDND-UHFFFAOYSA-N -1 0 407.417 4.204 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3SCC(N)=O)n2)cc1 ZINC000041511796 848223671 /nfs/dbraw/zinc/22/36/71/848223671.db2.gz SWOQDYKNZSAGBM-MRXNPFEDSA-N -1 0 407.520 4.186 20 30 HIEDRM CS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000041515060 848224410 /nfs/dbraw/zinc/22/44/10/848224410.db2.gz JAFNBLWURUFYIY-MRXNPFEDSA-N -1 0 416.911 4.357 20 30 HIEDRM N#Cc1c[nH]c(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3[O-])c(Cl)c2)c1 ZINC000436661921 861886594 /nfs/dbraw/zinc/88/65/94/861886594.db2.gz XOUYJKNXXDYNCB-UHFFFAOYSA-N -1 0 415.236 4.403 20 30 HIEDRM N#CC(=C([O-])c1cnn2cccnc12)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000041538719 848228794 /nfs/dbraw/zinc/22/87/94/848228794.db2.gz JKIMZGVSNNGPKC-IGMNZBQBSA-N -1 0 403.511 4.144 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548308 848229954 /nfs/dbraw/zinc/22/99/54/848229954.db2.gz SHENJBJFTHJFGV-ZDUSSCGKSA-N -1 0 413.384 4.386 20 30 HIEDRM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc2NC1=O ZINC000041559641 848233542 /nfs/dbraw/zinc/23/35/42/848233542.db2.gz CZZKPXXZOMQEEV-ZYHUDNBSSA-N -1 0 412.421 4.354 20 30 HIEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(Br)cc(Cl)c2[O-])cc1 ZINC000436776586 861966157 /nfs/dbraw/zinc/96/61/57/861966157.db2.gz KWLGLEYGGHKBKR-UHFFFAOYSA-N -1 0 424.682 4.368 20 30 HIEDRM Cc1ccc(C#N)cc1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000436781623 861974158 /nfs/dbraw/zinc/97/41/58/861974158.db2.gz KMDMXMUCHKMRRN-UHFFFAOYSA-N -1 0 410.065 4.350 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccccc2)cs1 ZINC000051534362 849481164 /nfs/dbraw/zinc/48/11/64/849481164.db2.gz WCDPOPIDUHVJLE-SFHVURJKSA-N -1 0 415.434 4.394 20 30 HIEDRM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4cc(C(F)(F)F)ccc4s3)cc12 ZINC000051656679 849499094 /nfs/dbraw/zinc/49/90/94/849499094.db2.gz GSUWSSRGVCUGJD-CYBMUJFWSA-N -1 0 415.400 4.395 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nnn1-c1cccc(C)c1 ZINC000054466150 849871261 /nfs/dbraw/zinc/87/12/61/849871261.db2.gz KHUXUMCDTZFUJG-OAHLLOKOSA-N -1 0 406.396 4.119 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(Cl)c2)c1 ZINC000058707259 850897393 /nfs/dbraw/zinc/89/73/93/850897393.db2.gz RRKGFCILXRESIL-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000064101521 851827904 /nfs/dbraw/zinc/82/79/04/851827904.db2.gz IIANBTVRDGRHTQ-GOSISDBHSA-N -1 0 410.520 4.402 20 30 HIEDRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)oc2c1c(C)ccc2C ZINC000066003060 852351252 /nfs/dbraw/zinc/35/12/52/852351252.db2.gz OXRQCHUEDCYNTG-UHFFFAOYSA-N -1 0 402.428 4.101 20 30 HIEDRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000066003707 852353064 /nfs/dbraw/zinc/35/30/64/852353064.db2.gz QBSQTWGJEDAMEE-UHFFFAOYSA-N -1 0 401.406 4.382 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000072032267 852474372 /nfs/dbraw/zinc/47/43/72/852474372.db2.gz AJJFSQGHQSNHMY-OAHLLOKOSA-N -1 0 409.423 4.226 20 30 HIEDRM N#Cc1cc(NC(=O)c2ccc(NC(=O)c3cc(F)cc(F)c3)cc2[O-])ccc1F ZINC000079355192 852542755 /nfs/dbraw/zinc/54/27/55/852542755.db2.gz IQLXKCRQDIUJIS-UHFFFAOYSA-N -1 0 411.339 4.186 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1nc(-c2ccncc2)cs1 ZINC000195662382 853744273 /nfs/dbraw/zinc/74/42/73/853744273.db2.gz OTUOTRBQFXWGRU-SFHVURJKSA-N -1 0 411.490 4.370 20 30 HIEDRM C=CCn1c(-c2sc(NC(=O)c3cn(C)c4ccccc34)nc2C)n[nH]c1=S ZINC000195688400 853758755 /nfs/dbraw/zinc/75/87/55/853758755.db2.gz XYQFHMHWTDXDDV-UHFFFAOYSA-N -1 0 410.528 4.303 20 30 HIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000216006391 853842301 /nfs/dbraw/zinc/84/23/01/853842301.db2.gz NTDINWXSXRQUGW-CQSZACIVSA-N -1 0 403.423 4.095 20 30 HIEDRM C#Cc1cccc(N(CC)C(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)c1 ZINC000236800678 853924731 /nfs/dbraw/zinc/92/47/31/853924731.db2.gz CQFBTTORRVGOOE-UHFFFAOYSA-N -1 0 415.493 4.154 20 30 HIEDRM Cc1cc(Br)c(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)s1 ZINC000437307994 862569100 /nfs/dbraw/zinc/56/91/00/862569100.db2.gz OPSCDQGOCCEPTN-UHFFFAOYSA-N -1 0 424.392 4.000 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000437381566 862692348 /nfs/dbraw/zinc/69/23/48/862692348.db2.gz RPVAHXFIDKHWMJ-SECBINFHSA-N -1 0 402.781 4.482 20 30 HIEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000409868369 855696616 /nfs/dbraw/zinc/69/66/16/855696616.db2.gz DHXGIVWJMJVMGK-UHFFFAOYSA-N -1 0 408.435 4.158 20 30 HIEDRM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000437392432 862723758 /nfs/dbraw/zinc/72/37/58/862723758.db2.gz YSVFTOWYYROEQR-INIZCTEOSA-N -1 0 403.467 4.306 20 30 HIEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)nc1-c1ccccc1 ZINC000410334994 855935283 /nfs/dbraw/zinc/93/52/83/855935283.db2.gz JVRBPMUGOPRYFO-UHFFFAOYSA-N -1 0 418.400 4.143 20 30 HIEDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3nc(C)c(SCC#N)s3)c2)n1 ZINC000410339227 855937362 /nfs/dbraw/zinc/93/73/62/855937362.db2.gz IRDIRPRFRASHAW-UHFFFAOYSA-N -1 0 422.582 4.300 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)cc1C#N ZINC000410381507 855963127 /nfs/dbraw/zinc/96/31/27/855963127.db2.gz LYNMFNHTGLXILF-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2cccc(Oc3ccnc4ccccc43)c2)cc1C#N ZINC000427210916 856715056 /nfs/dbraw/zinc/71/50/56/856715056.db2.gz FJOODSWKOMSYAW-UHFFFAOYSA-N -1 0 416.462 4.403 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2SCC(F)F)cc1C#N ZINC000427267283 856744451 /nfs/dbraw/zinc/74/44/51/856744451.db2.gz XYKBQDJIWNORRD-UHFFFAOYSA-N -1 0 403.863 4.073 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3cccc(C(F)(F)F)c3)cn2)cc1C#N ZINC000427791988 856956806 /nfs/dbraw/zinc/95/68/06/856956806.db2.gz YRGWKEUNVBIAOW-UHFFFAOYSA-N -1 0 418.400 4.143 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2c(F)cccc2F)n1)c1nc2ccccc2n1C(F)F ZINC000429727173 857852603 /nfs/dbraw/zinc/85/26/03/857852603.db2.gz UMIHRHONMYLFEE-LLVKDONJSA-N -1 0 413.334 4.385 20 30 HIEDRM CCOc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC ZINC000430612544 858235726 /nfs/dbraw/zinc/23/57/26/858235726.db2.gz RRBQUYGWXTWAJP-GFCCVEGCSA-N -1 0 403.460 4.246 20 30 HIEDRM COc1ccccc1CSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000431177589 858488457 /nfs/dbraw/zinc/48/84/57/858488457.db2.gz ASSKOINYCZEHGF-UHFFFAOYSA-N -1 0 411.508 4.055 20 30 HIEDRM CCc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)cc1 ZINC000431326705 858566943 /nfs/dbraw/zinc/56/69/43/858566943.db2.gz NUDKITJJCQPXTG-UHFFFAOYSA-N -1 0 416.553 4.065 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)ccc1Cl ZINC000431331217 858569410 /nfs/dbraw/zinc/56/94/10/858569410.db2.gz HAQMPCDWIVGZDT-UHFFFAOYSA-N -1 0 411.295 4.184 20 30 HIEDRM C=C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000431436280 858613221 /nfs/dbraw/zinc/61/32/21/858613221.db2.gz UGWFPTCODBYKMM-KDOFPFPSSA-N -1 0 402.288 4.441 20 30 HIEDRM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1C1CC1 ZINC000432773492 859353842 /nfs/dbraw/zinc/35/38/42/859353842.db2.gz GWCHQFBKATYSRI-NSHDSACASA-N -1 0 423.336 4.166 20 30 HIEDRM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)nc1-c1ccccc1 ZINC000433135068 859534227 /nfs/dbraw/zinc/53/42/27/859534227.db2.gz SQMUUBXEZVVVEX-UHFFFAOYSA-N -1 0 418.400 4.143 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC[C@@H]2CCCCO2)s1 ZINC000435489351 860818751 /nfs/dbraw/zinc/81/87/51/860818751.db2.gz BEXYPGCENRPYNS-ZDUSSCGKSA-N -1 0 412.920 4.022 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cn1 ZINC000435762205 861040158 /nfs/dbraw/zinc/04/01/58/861040158.db2.gz SDJGBIADXMLGII-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000439575091 864896570 /nfs/dbraw/zinc/89/65/70/864896570.db2.gz RXBNAALDUZOINT-UHFFFAOYSA-N -1 0 422.491 4.465 20 30 HIEDRM COCCn1ccc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000439651113 864978249 /nfs/dbraw/zinc/97/82/49/864978249.db2.gz VECLUYYNYQQDFF-CYBMUJFWSA-N -1 0 421.309 4.450 20 30 HIEDRM N#CC(=C([O-])c1ncoc1-c1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cn1 ZINC000442609371 867556732 /nfs/dbraw/zinc/55/67/32/867556732.db2.gz LSHAKASVBHRXAG-CYBMUJFWSA-N -1 0 415.327 4.017 20 30 HIEDRM Cc1cc(=O)c(C([O-])=C(C#N)c2nc3ccccc3s2)nn1-c1cccc(Cl)c1 ZINC000442618644 867563004 /nfs/dbraw/zinc/56/30/04/867563004.db2.gz RHHLLKUCCGNIFK-OAHLLOKOSA-N -1 0 420.881 4.294 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(CN3C(=O)Cc4ccc(Cl)cc43)cc2)cc1[O-] ZINC000442945211 867757648 /nfs/dbraw/zinc/75/76/48/867757648.db2.gz QGLVPKZGBLBKMB-UHFFFAOYSA-N -1 0 417.852 4.259 20 30 HIEDRM CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443281502 867888967 /nfs/dbraw/zinc/88/89/67/867888967.db2.gz FYFOKIPQCIQOQM-UHFFFAOYSA-N -1 0 422.462 4.102 20 30 HIEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443406386 867987846 /nfs/dbraw/zinc/98/78/46/867987846.db2.gz DQTYDKXIDQXOOH-UHFFFAOYSA-N -1 0 402.419 4.108 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)ccc1Cl ZINC000443535197 868093726 /nfs/dbraw/zinc/09/37/26/868093726.db2.gz ZTRJCUJRJLHQCV-UHFFFAOYSA-N -1 0 422.787 4.483 20 30 HIEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n[nH]1 ZINC000444423876 868823272 /nfs/dbraw/zinc/82/32/72/868823272.db2.gz UCHKSMONFWQFIV-UHFFFAOYSA-N -1 0 406.389 4.076 20 30 HIEDRM N#Cc1cc(F)c(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c(F)c1 ZINC000445632502 869700049 /nfs/dbraw/zinc/70/00/49/869700049.db2.gz LQZQBBUPOFSXJJ-UHFFFAOYSA-N -1 0 400.454 4.408 20 30 HIEDRM COc1ccc(Sc2nsc([N-]C(=O)c3c(F)cc(C#N)cc3F)n2)cc1 ZINC000446108746 870056739 /nfs/dbraw/zinc/05/67/39/870056739.db2.gz OASZPMYKXACUGM-UHFFFAOYSA-N -1 0 404.423 4.100 20 30 HIEDRM COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000446620108 870523604 /nfs/dbraw/zinc/52/36/04/870523604.db2.gz MNOMMNRETLBCSG-UHFFFAOYSA-N -1 0 402.419 4.108 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NC2(c3c(Cl)cccc3Cl)CCC2)cc1C#N ZINC000446716727 870633602 /nfs/dbraw/zinc/63/36/02/870633602.db2.gz LOQWDYCMZPIBLP-UHFFFAOYSA-N -1 0 408.310 4.497 20 30 HIEDRM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cc(-c4cccc(C#N)c4)no3)s2)c1 ZINC000447512276 871383800 /nfs/dbraw/zinc/38/38/00/871383800.db2.gz XTFOWKUNHGBWEJ-UHFFFAOYSA-N -1 0 401.451 4.601 20 30 HIEDRM CC(C)(OCC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000447542918 871408358 /nfs/dbraw/zinc/40/83/58/871408358.db2.gz KLZRTQOGJSRVFT-LLVKDONJSA-N -1 0 409.273 4.365 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cc(C#N)cs1 ZINC000447636335 871550038 /nfs/dbraw/zinc/55/00/38/871550038.db2.gz IEPVSXRIEBLLNK-UHFFFAOYSA-N -1 0 415.471 4.120 20 30 HIEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000468666076 882800385 /nfs/dbraw/zinc/80/03/85/882800385.db2.gz GJJLOBPXGVBNJH-UHFFFAOYSA-N -1 0 406.461 4.196 20 30 HIEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000462082600 875191943 /nfs/dbraw/zinc/19/19/43/875191943.db2.gz HNKUXNSCQYJIMI-INIZCTEOSA-N -1 0 411.405 4.002 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1c(F)cccc1F ZINC000468886468 882926772 /nfs/dbraw/zinc/92/67/72/882926772.db2.gz IOCMRYVQXIRPRP-LBPRGKRZSA-N -1 0 406.314 4.363 20 30 HIEDRM CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)c2C1 ZINC000462380865 875493134 /nfs/dbraw/zinc/49/31/34/875493134.db2.gz NGFHIEKLCZWXHA-AWEZNQCLSA-N -1 0 403.935 4.373 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000463526476 876596706 /nfs/dbraw/zinc/59/67/06/876596706.db2.gz OULGQZRHJHHRIN-UHFFFAOYSA-N -1 0 419.462 4.340 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000463792391 876910336 /nfs/dbraw/zinc/91/03/36/876910336.db2.gz XFUIASRMDPMRHY-UHFFFAOYSA-N -1 0 423.425 4.171 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccc(F)cc1F ZINC000464413683 877619895 /nfs/dbraw/zinc/61/98/95/877619895.db2.gz DLGUDTUXKQSLKD-CYBMUJFWSA-N -1 0 406.314 4.363 20 30 HIEDRM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464423725 877632739 /nfs/dbraw/zinc/63/27/39/877632739.db2.gz DWAXMHGEIJVOSH-AWEZNQCLSA-N -1 0 400.360 4.093 20 30 HIEDRM CN(C(=O)c1ccco1)c1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464472083 877694634 /nfs/dbraw/zinc/69/46/34/877694634.db2.gz CSPXBXJCQLRKLZ-HNNXBMFYSA-N -1 0 413.355 4.460 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)c(F)c1 ZINC000466278588 880017721 /nfs/dbraw/zinc/01/77/21/880017721.db2.gz DPSWCWKFTCSAKW-UHFFFAOYSA-N -1 0 414.433 4.354 20 30 HIEDRM COc1ccc(C(=O)Nc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)s2)cc1 ZINC000467083929 880854063 /nfs/dbraw/zinc/85/40/63/880854063.db2.gz IIIFHOYAZASYBS-OAHLLOKOSA-N -1 0 416.462 4.375 20 30 HIEDRM COc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1SC ZINC000503554999 912625539 /nfs/dbraw/zinc/62/55/39/912625539.db2.gz DTQUJXNSKIHECN-NSHDSACASA-N -1 0 411.361 4.229 20 30 HIEDRM N#CC(=C([O-])c1occc1CN1C(=O)Cc2ccccc21)c1nc2ccccc2s1 ZINC000503577805 912659626 /nfs/dbraw/zinc/65/96/26/912659626.db2.gz BFQATUVXOZKAPP-MRXNPFEDSA-N -1 0 413.458 4.469 20 30 HIEDRM N#CC(=C([O-])c1occc1CN1C(=O)Cc2ccccc21)c1nc2ccccc2s1 ZINC000503577667 912660301 /nfs/dbraw/zinc/66/03/01/912660301.db2.gz BFQATUVXOZKAPP-INIZCTEOSA-N -1 0 413.458 4.469 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000503819823 912830892 /nfs/dbraw/zinc/83/08/92/912830892.db2.gz BLZZJCMMBVMCPP-CQSZACIVSA-N -1 0 408.323 4.159 20 30 HIEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)cc1 ZINC000471611004 886326067 /nfs/dbraw/zinc/32/60/67/886326067.db2.gz PGPAIXCFUZVVHR-UHFFFAOYSA-N -1 0 403.660 4.108 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000471904656 886688305 /nfs/dbraw/zinc/68/83/05/886688305.db2.gz FYJFEIWTLSLAKA-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000471944506 886747033 /nfs/dbraw/zinc/74/70/33/886747033.db2.gz SDHLGZFFUOQIMC-LBPRGKRZSA-N -1 0 422.503 4.116 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cc1Cl ZINC000472435344 887282823 /nfs/dbraw/zinc/28/28/23/887282823.db2.gz GAUCPUDUQDOMEO-UHFFFAOYSA-N -1 0 411.295 4.184 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1nc(-c2ccncc2)cs1 ZINC000473493488 888215038 /nfs/dbraw/zinc/21/50/38/888215038.db2.gz VYZYXUUMKJOEDH-QGZVFWFLSA-N -1 0 412.478 4.358 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n1 ZINC000474435008 889299509 /nfs/dbraw/zinc/29/95/09/889299509.db2.gz AOIALABCGBNBSZ-GFCCVEGCSA-N -1 0 423.395 4.495 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3ccc(OC)cc32)n1 ZINC000504561878 913333223 /nfs/dbraw/zinc/33/32/23/913333223.db2.gz WHDPWTQAFUYCIU-INIZCTEOSA-N -1 0 421.478 4.244 20 30 HIEDRM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000476279733 891198621 /nfs/dbraw/zinc/19/86/21/891198621.db2.gz UWJXFLFVAVBHEX-UHFFFAOYSA-N -1 0 423.332 4.368 20 30 HIEDRM C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)cc1 ZINC000476286553 891204647 /nfs/dbraw/zinc/20/46/47/891204647.db2.gz UZEDCFCYHJUHIE-UHFFFAOYSA-N -1 0 413.421 4.122 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(-c2ccoc2)nn1-c1ccccc1 ZINC000505287414 913946268 /nfs/dbraw/zinc/94/62/68/913946268.db2.gz KZTZQZOYXSHBTL-UHFFFAOYSA-N -1 0 424.869 4.458 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccccc2C#N)cnn1-c1cccc(C(F)(F)F)c1 ZINC000480226682 895631645 /nfs/dbraw/zinc/63/16/45/895631645.db2.gz OLIBUKZXPIBOBU-UHFFFAOYSA-N -1 0 420.416 4.126 20 30 HIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c1[N+](=O)[O-] ZINC000480244946 895654318 /nfs/dbraw/zinc/65/43/18/895654318.db2.gz HXMLNFBDGHIGDQ-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000481983527 897377692 /nfs/dbraw/zinc/37/76/92/897377692.db2.gz LGAXZLRJRLRVCI-UHFFFAOYSA-N -1 0 415.696 4.092 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)cc2OC2CCCC2)n1 ZINC000482575724 898170128 /nfs/dbraw/zinc/17/01/28/898170128.db2.gz KCAYYFDCXHBKAP-INIZCTEOSA-N -1 0 414.483 4.140 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1ccc(F)c(Cl)c1 ZINC000483189546 898848926 /nfs/dbraw/zinc/84/89/26/898848926.db2.gz CBEYIIPMUNIZNQ-MRXNPFEDSA-N -1 0 405.820 4.407 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1cnc2ccccc2n1 ZINC000483209590 898860599 /nfs/dbraw/zinc/86/05/99/898860599.db2.gz JZWOVCGHHYFOCK-HNNXBMFYSA-N -1 0 415.403 4.072 20 30 HIEDRM Cn1cc(-c2ncc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)s2)cn1 ZINC000483283081 898920078 /nfs/dbraw/zinc/92/00/78/898920078.db2.gz LESRVVCRVMAEOU-OAHLLOKOSA-N -1 0 416.491 4.029 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n[nH]2)cc1 ZINC000483437652 899071476 /nfs/dbraw/zinc/07/14/76/899071476.db2.gz LLQZGLHDLBBIDR-AWEZNQCLSA-N -1 0 407.380 4.320 20 30 HIEDRM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)cc2)n1 ZINC000505699563 914386518 /nfs/dbraw/zinc/38/65/18/914386518.db2.gz CXKLFTQFFNYJHB-AWEZNQCLSA-N -1 0 421.432 4.374 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(-c3ccc(F)c(F)c3)n2)n1 ZINC000505723980 914405841 /nfs/dbraw/zinc/40/58/41/914405841.db2.gz WNZAHEMABGIAMK-SNVBAGLBSA-N -1 0 419.434 4.212 20 30 HIEDRM N#Cc1ccc2ncc(/C=C\c3cc(C(=O)[O-])nc(-c4ccc(Cl)cc4)n3)n2c1 ZINC000486197196 901381934 /nfs/dbraw/zinc/38/19/34/901381934.db2.gz PYYRTCTZWBDXCX-SREVYHEPSA-N -1 0 401.813 4.185 20 30 HIEDRM C=CCOc1ccc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1OC ZINC000486411896 901570097 /nfs/dbraw/zinc/57/00/97/901570097.db2.gz VRQLJUQLZSKKBR-FQEVSTJZSA-N -1 0 419.477 4.087 20 30 HIEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(O)c(Br)c1 ZINC000486654390 901775758 /nfs/dbraw/zinc/77/57/58/901775758.db2.gz ROEIEZKWHFRLGL-UHFFFAOYSA-N -1 0 416.319 4.394 20 30 HIEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488367968 902781966 /nfs/dbraw/zinc/78/19/66/902781966.db2.gz BLYHEXMAARZWNM-UHFFFAOYSA-N -1 0 410.451 4.169 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(Br)cc(OC(C)C)c2)cc1C#N ZINC000489048898 903155172 /nfs/dbraw/zinc/15/51/72/903155172.db2.gz JHKUHDIWRAVAQI-UHFFFAOYSA-N -1 0 422.304 4.183 20 30 HIEDRM C=CCN(CCc1ccco1)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000491293617 904522487 /nfs/dbraw/zinc/52/24/87/904522487.db2.gz HZVWISYUEIQLJM-UHFFFAOYSA-N -1 0 421.522 4.484 20 30 HIEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@H](c2cccc3ccccc32)C(F)(F)F)c1 ZINC000512440177 921162691 /nfs/dbraw/zinc/16/26/91/921162691.db2.gz BNEAFOKVMDETCZ-LJQANCHMSA-N -1 0 404.413 4.434 20 30 HIEDRM COCCc1nnc(-c2cccc(C([O-])=C(C#N)c3nc4ccccc4s3)c2)o1 ZINC000496129410 906612589 /nfs/dbraw/zinc/61/25/89/906612589.db2.gz MMCSQSKUNLYOQT-OAHLLOKOSA-N -1 0 404.451 4.025 20 30 HIEDRM C=CCN(CCc1ccco1)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000496692633 906737858 /nfs/dbraw/zinc/73/78/58/906737858.db2.gz YRGIJBJJMMJGIW-UHFFFAOYSA-N -1 0 416.524 4.013 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc(Br)cc2)n1)c1cnc2ccccc2n1 ZINC000498973077 908363538 /nfs/dbraw/zinc/36/35/38/908363538.db2.gz GKSMLVKASGNVIH-OAHLLOKOSA-N -1 0 418.254 4.068 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nnn1-c1ccccc1Cl ZINC000512963192 921440690 /nfs/dbraw/zinc/44/06/90/921440690.db2.gz ATCIFBWJEFYVHL-CQSZACIVSA-N -1 0 420.885 4.238 20 30 HIEDRM CCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000512964316 921441055 /nfs/dbraw/zinc/44/10/55/921441055.db2.gz OODPKCQVOUVMDW-SFHVURJKSA-N -1 0 404.495 4.177 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)c(Cl)c1 ZINC000502437908 911422577 /nfs/dbraw/zinc/42/25/77/911422577.db2.gz CANFWBMAODHRFG-UHFFFAOYSA-N -1 0 418.931 4.222 20 30 HIEDRM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502838968 911851361 /nfs/dbraw/zinc/85/13/61/911851361.db2.gz MLTHETINMZHGRD-RUZDIDTESA-N -1 0 410.948 4.060 20 30 HIEDRM C=CCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000507150295 915893009 /nfs/dbraw/zinc/89/30/09/915893009.db2.gz QGBGPAIMBXCIPO-UHFFFAOYSA-N -1 0 411.483 4.155 20 30 HIEDRM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cc(Cl)ccc1C#N ZINC000508238380 917055646 /nfs/dbraw/zinc/05/56/46/917055646.db2.gz WQURXVFJVWFGIP-UHFFFAOYSA-N -1 0 419.673 4.106 20 30 HIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000509076050 917821588 /nfs/dbraw/zinc/82/15/88/917821588.db2.gz UJBSJZQQSRLAKD-UHFFFAOYSA-N -1 0 408.435 4.189 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000509104910 917844993 /nfs/dbraw/zinc/84/49/93/917844993.db2.gz YOTLYRDJEQKFAN-UHFFFAOYSA-N -1 0 402.435 4.095 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2ccc(Cl)s2)nc1 ZINC000509232317 917928554 /nfs/dbraw/zinc/92/85/54/917928554.db2.gz HZRFWAPLXWCHLH-UHFFFAOYSA-N -1 0 405.888 4.145 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)c([N+](=O)[O-])c1 ZINC000509575017 918224638 /nfs/dbraw/zinc/22/46/38/918224638.db2.gz USDGIKQHAGRRBN-UHFFFAOYSA-N -1 0 409.423 4.368 20 30 HIEDRM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)c2)n1 ZINC000511119407 919730837 /nfs/dbraw/zinc/73/08/37/919730837.db2.gz HMUOYLZXQVEZMN-UHFFFAOYSA-N -1 0 420.416 4.180 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1Cl ZINC000511129211 919743646 /nfs/dbraw/zinc/74/36/46/919743646.db2.gz DCLUXPAWZBTMEN-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM COCc1nc2sc(C([O-])=C(C#N)c3nc4ccccc4s3)c(C)c2c(OC)n1 ZINC000513686887 922008872 /nfs/dbraw/zinc/00/88/72/922008872.db2.gz HVPMKOWXEZNSNJ-NSHDSACASA-N -1 0 424.507 4.255 20 30 HIEDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC ZINC000515336189 923058689 /nfs/dbraw/zinc/05/86/89/923058689.db2.gz ONTGGLKMVVNNHS-LLVKDONJSA-N -1 0 415.471 4.312 20 30 HIEDRM N#CC(=C([O-])c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc2cc(Cl)ccc2s1 ZINC000515539561 923164595 /nfs/dbraw/zinc/16/45/95/923164595.db2.gz XNYSCRJXUMYANZ-JTQLQIEISA-N -1 0 401.787 4.077 20 30 HIEDRM CCOc1ccc(-c2csc(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)n2)cc1 ZINC000515557949 923175303 /nfs/dbraw/zinc/17/53/03/923175303.db2.gz PLNDYVIKGFBSRR-UHFFFAOYSA-N -1 0 412.496 4.155 20 30 HIEDRM CC(=O)N(c1nc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cs1)c1ccc(F)cc1 ZINC000515598830 923206498 /nfs/dbraw/zinc/20/64/98/923206498.db2.gz DIWDCOVMLZQPMM-UITAMQMPSA-N -1 0 408.414 4.102 20 30 HIEDRM N#CC(=C([O-])c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1)c1nc2ccccc2o1 ZINC000515597715 923206600 /nfs/dbraw/zinc/20/66/00/923206600.db2.gz ZIRYRKWVIFTHLB-XMSQKQJNSA-N -1 0 423.428 4.260 20 30 HIEDRM CC(C)CCN(CCC#N)C(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC000515966546 923465960 /nfs/dbraw/zinc/46/59/60/923465960.db2.gz KOEIEPZBRKKSGR-UHFFFAOYSA-N -1 0 416.525 4.424 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)cc1C#N ZINC000516007780 923498172 /nfs/dbraw/zinc/49/81/72/923498172.db2.gz OZNSPYCDPFPHIK-UHFFFAOYSA-N -1 0 414.487 4.128 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000517433817 924183376 /nfs/dbraw/zinc/18/33/76/924183376.db2.gz DYAFKFCMYYZRJY-UHFFFAOYSA-N -1 0 415.309 4.395 20 30 HIEDRM CCOC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C ZINC000517731773 926818123 /nfs/dbraw/zinc/81/81/23/926818123.db2.gz QLFDDFWCWDLQDD-INIZCTEOSA-N -1 0 423.494 4.430 20 30 HIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)cs2)cc1OC ZINC000517801832 926842163 /nfs/dbraw/zinc/84/21/63/926842163.db2.gz MTZUBSQXBQZKNO-CQSZACIVSA-N -1 0 416.462 4.261 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nnn1-c1ccc2ncccc2c1 ZINC000518260569 927118485 /nfs/dbraw/zinc/11/84/85/927118485.db2.gz NAWJMDOTGHJMMD-INIZCTEOSA-N -1 0 422.370 4.028 20 30 HIEDRM COc1ccc(-n2ccc(C([O-])=C(C#N)c3nc(-c4ccccc4)cs3)n2)cc1 ZINC000518516555 927320842 /nfs/dbraw/zinc/32/08/42/927320842.db2.gz KIRTXOICZNSYJO-GOSISDBHSA-N -1 0 400.463 4.494 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3ccc(C(C)=O)cc3)o2)n1 ZINC000518671086 927419431 /nfs/dbraw/zinc/41/94/31/927419431.db2.gz USAAQAAFJZIOLZ-OAHLLOKOSA-N -1 0 408.435 4.272 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3ccc(C(C)=O)cc3)o2)n1 ZINC000518671085 927419727 /nfs/dbraw/zinc/41/97/27/927419727.db2.gz USAAQAAFJZIOLZ-HNNXBMFYSA-N -1 0 408.435 4.272 20 30 HIEDRM COc1ccc(C)cc1-n1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000519945196 928179143 /nfs/dbraw/zinc/17/91/43/928179143.db2.gz KQIBVQHDHSZUPL-CQSZACIVSA-N -1 0 421.407 4.424 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2C)sc1Cc1cccc(F)c1 ZINC000524918404 929889218 /nfs/dbraw/zinc/88/92/18/929889218.db2.gz HJRQTNMYALNGNW-UHFFFAOYSA-N -1 0 401.488 4.162 20 30 HIEDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000525021262 929981745 /nfs/dbraw/zinc/98/17/45/929981745.db2.gz WFEHWEMKBLPIMU-LBPRGKRZSA-N -1 0 424.931 4.322 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2SCC(F)(F)F)cn1 ZINC000525372124 930202890 /nfs/dbraw/zinc/20/28/90/930202890.db2.gz OGHPJHCAOKRNCE-UHFFFAOYSA-N -1 0 407.826 4.062 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)cc1C#N ZINC000525495429 930281635 /nfs/dbraw/zinc/28/16/35/930281635.db2.gz XGCLBLKQJHQUOX-UHFFFAOYSA-N -1 0 416.572 4.155 20 30 HIEDRM N#Cc1ccccc1OC1CCC(NC(=O)N=c2nc(-c3ccccc3)[n-]s2)CC1 ZINC000531342014 931024298 /nfs/dbraw/zinc/02/42/98/931024298.db2.gz IJIARGDALNMWJE-UHFFFAOYSA-N -1 0 419.510 4.010 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000534659419 932629572 /nfs/dbraw/zinc/62/95/72/932629572.db2.gz UXXZDDOYGVBNOM-QGZVFWFLSA-N -1 0 419.462 4.062 20 30 HIEDRM C=C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1ccccc1 ZINC000535376870 933101794 /nfs/dbraw/zinc/10/17/94/933101794.db2.gz JBNHNJAQOZLZMC-HNNXBMFYSA-N -1 0 413.524 4.242 20 30 HIEDRM O=C(Nc1cc(F)cc(F)c1F)c1nnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000562877654 945136983 /nfs/dbraw/zinc/13/69/83/945136983.db2.gz XSEYITFDEKRATG-UHFFFAOYSA-N -1 0 404.245 4.095 20 30 HIEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)c1 ZINC000538282489 938582818 /nfs/dbraw/zinc/58/28/18/938582818.db2.gz KNCBQLKGJYHSBD-OAHLLOKOSA-N -1 0 422.350 4.300 20 30 HIEDRM COc1ccc(O)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)c1 ZINC000538296140 938586078 /nfs/dbraw/zinc/58/60/78/938586078.db2.gz ILNNYUHTCANKQO-UHFFFAOYSA-N -1 0 414.414 4.005 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000538623041 938664269 /nfs/dbraw/zinc/66/42/69/938664269.db2.gz DUSFMWMOFIJYKD-HOCLYGCPSA-N -1 0 421.444 4.466 20 30 HIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000539472745 938865761 /nfs/dbraw/zinc/86/57/61/938865761.db2.gz KCHGVFLFMBOWTR-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3C#N)n2)c(Cl)c1 ZINC000541126361 939470100 /nfs/dbraw/zinc/47/01/00/939470100.db2.gz MSGIEOHPTQMWIQ-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000542232399 939767610 /nfs/dbraw/zinc/76/76/10/939767610.db2.gz MZTXMOUYHMVEMY-UHFFFAOYSA-N -1 0 412.437 4.388 20 30 HIEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000543985840 940284091 /nfs/dbraw/zinc/28/40/91/940284091.db2.gz KDJFGDQKBUHSFV-INIZCTEOSA-N -1 0 403.442 4.328 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)ncc1Br ZINC000544621211 940492114 /nfs/dbraw/zinc/49/21/14/940492114.db2.gz PNWSNYAZCHZTAB-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM Cc1ccc(Cn2cc(C([O-])=C(C#N)c3ccncn3)c(-c3ccc(C)cc3)n2)cc1 ZINC000544814810 940516866 /nfs/dbraw/zinc/51/68/66/940516866.db2.gz JKGMJJKGCBYAEW-NRFANRHFSA-N -1 0 407.477 4.495 20 30 HIEDRM CC(C)(c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1)c1ccccc1 ZINC000545150584 940551519 /nfs/dbraw/zinc/55/15/19/940551519.db2.gz JFEYQJSCJXXIMY-UHFFFAOYSA-N -1 0 418.931 4.190 20 30 HIEDRM C[C@](C#N)(NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C1CCCCC1 ZINC000563975618 945334336 /nfs/dbraw/zinc/33/43/36/945334336.db2.gz WERAWMDASLXXQP-HXUWFJFHSA-N -1 0 417.556 4.141 20 30 HIEDRM N#Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000546088812 940696842 /nfs/dbraw/zinc/69/68/42/940696842.db2.gz SAMYFUCYYDMUDW-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000546864151 940897606 /nfs/dbraw/zinc/89/76/06/940897606.db2.gz XNXLKJCGFMTDRY-GOSISDBHSA-N -1 0 405.479 4.489 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000547975798 941081767 /nfs/dbraw/zinc/08/17/67/941081767.db2.gz UCMOJQJYKZZXFO-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM COCCOc1cncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000549085639 941155200 /nfs/dbraw/zinc/15/52/00/941155200.db2.gz DQOQWIPSHSNMFF-QGZVFWFLSA-N -1 0 413.886 4.374 20 30 HIEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000549719161 941205646 /nfs/dbraw/zinc/20/56/46/941205646.db2.gz RVNXLSBCNBAAFN-UHFFFAOYSA-N -1 0 418.272 4.140 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c(C(F)(F)F)c1 ZINC000554934437 942324159 /nfs/dbraw/zinc/32/41/59/942324159.db2.gz OHVZOAHYIUEPSB-UHFFFAOYSA-N -1 0 411.188 4.390 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000558593765 943612121 /nfs/dbraw/zinc/61/21/21/943612121.db2.gz YXJNQTBGKFOWNV-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)nc2ccccc12 ZINC000564145361 945400070 /nfs/dbraw/zinc/40/00/70/945400070.db2.gz UMKYIAOZQDKGFI-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Oc2cccnc2)c(F)c1 ZINC000564378721 945544095 /nfs/dbraw/zinc/54/40/95/945544095.db2.gz KUSYYNAMJXRSEN-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM C=CCN(C(=O)Nc1ccc2ccn(CCOC)c2c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000564771192 945756004 /nfs/dbraw/zinc/75/60/04/945756004.db2.gz BBBISRHLHGUHNX-QFIPXVFZSA-N -1 0 421.497 4.004 20 30 HIEDRM CC(C)N(C(=O)Nc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000565399985 945826310 /nfs/dbraw/zinc/82/63/10/945826310.db2.gz PVABXXDYKFYIDH-QGZVFWFLSA-N -1 0 416.275 4.389 20 30 HIEDRM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)cc1OCC ZINC000566534737 946036385 /nfs/dbraw/zinc/03/63/85/946036385.db2.gz KQXKCDWUPLCXQA-UHFFFAOYSA-N -1 0 414.405 4.175 20 30 HIEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000566634960 946057881 /nfs/dbraw/zinc/05/78/81/946057881.db2.gz JORNBVAGTCBMSL-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1OC(F)(F)F ZINC000568373857 946524718 /nfs/dbraw/zinc/52/47/18/946524718.db2.gz LKKCBMWOEPDLNL-UHFFFAOYSA-N -1 0 412.723 4.189 20 30 HIEDRM CCN(C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)[C@H](C)c1ccc(F)cc1 ZINC000569950459 947049319 /nfs/dbraw/zinc/04/93/19/947049319.db2.gz PNGPIGXWOBEBSO-OAHLLOKOSA-N -1 0 400.498 4.091 20 30 HIEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Oc3ccnc(C#N)c3)cc2)c1 ZINC000571459051 947658873 /nfs/dbraw/zinc/65/88/73/947658873.db2.gz LNQKJASRDQWBBW-UHFFFAOYSA-N -1 0 415.858 4.208 20 30 HIEDRM Cc1nccn1-c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000572899422 948033715 /nfs/dbraw/zinc/03/37/15/948033715.db2.gz NBIRPJBGOWONMS-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM N#CC(=C([O-])c1cnn2c1OCCC2)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000573047760 948071162 /nfs/dbraw/zinc/07/11/62/948071162.db2.gz GSMSDLJJNRHZCS-IGMNZBQBSA-N -1 0 408.527 4.080 20 30 HIEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000574022891 948350585 /nfs/dbraw/zinc/35/05/85/948350585.db2.gz JOLHVHRZEMMRDI-KRWDZBQOSA-N -1 0 419.275 4.351 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)N(CCC2=CCCCC2)c2ccccc2C(=O)[O-])s1 ZINC000574867374 948547271 /nfs/dbraw/zinc/54/72/71/948547271.db2.gz UAOJMJYSURWZRU-UHFFFAOYSA-N -1 0 416.524 4.404 20 30 HIEDRM Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)n[nH]2)c1 ZINC000436198522 861499347 /nfs/dbraw/zinc/49/93/47/861499347.db2.gz NTILCGGCFMJHTB-UHFFFAOYSA-N -1 0 424.379 4.216 20 30 HIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000007056074 845243528 /nfs/dbraw/zinc/24/35/28/845243528.db2.gz NDHQTCWYOVWDKT-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)NCCCc3ccc(C)cc3C)cc2[n-]c1=S ZINC000009891670 845599680 /nfs/dbraw/zinc/59/96/80/845599680.db2.gz XSOQXMBUGJPGFW-UHFFFAOYSA-N -1 0 407.539 4.225 20 30 HIEDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cc(C#N)ccc1C ZINC000436519680 861832999 /nfs/dbraw/zinc/83/29/99/861832999.db2.gz RMMKRPVTQKLHAN-HXUWFJFHSA-N -1 0 417.513 4.111 20 30 HIEDRM CSc1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1-c1ccccc1 ZINC000041553645 848231087 /nfs/dbraw/zinc/23/10/87/848231087.db2.gz LRKYZCMGIHNVMF-AWEZNQCLSA-N -1 0 402.401 4.498 20 30 HIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCc2nnc(-c3ccsc3)o2)cc1 ZINC000048562903 849243126 /nfs/dbraw/zinc/24/31/26/849243126.db2.gz ISOBSVIGSOFJBI-UHFFFAOYSA-N -1 0 405.501 4.029 20 30 HIEDRM N#CC(=C([O-])c1cc2cc(Cl)ccc2o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394665 849308981 /nfs/dbraw/zinc/30/89/81/849308981.db2.gz IRSHAYXRKWJXQU-CQSZACIVSA-N -1 0 404.817 4.087 20 30 HIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051897023 849527008 /nfs/dbraw/zinc/52/70/08/849527008.db2.gz FRTZGFGAMLFICV-ZHACJKMWSA-N -1 0 415.452 4.024 20 30 HIEDRM N#CC(=C([O-])c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1nc2ccccc2o1 ZINC000054734491 849915843 /nfs/dbraw/zinc/91/58/43/849915843.db2.gz DTDJRQPXFWDVON-SFHVURJKSA-N -1 0 413.433 4.247 20 30 HIEDRM Cc1nc(NC(=O)c2cc(Br)cc(Cl)c2[O-])sc1SCC#N ZINC000436910379 862086784 /nfs/dbraw/zinc/08/67/84/862086784.db2.gz NPENVKNDDCKBBT-UHFFFAOYSA-N -1 0 418.725 4.441 20 30 HIEDRM N#Cc1cccc(COc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2F)c1 ZINC000436963380 862143228 /nfs/dbraw/zinc/14/32/28/862143228.db2.gz PPRMVKFPSAYRNE-UHFFFAOYSA-N -1 0 407.357 4.142 20 30 HIEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000058190990 850779864 /nfs/dbraw/zinc/77/98/64/850779864.db2.gz RSXLYWKKHARDGU-UHFFFAOYSA-N -1 0 419.717 4.363 20 30 HIEDRM O=C(CSCc1cc(-c2cccs2)on1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000061067033 851286124 /nfs/dbraw/zinc/28/61/24/851286124.db2.gz XJTMGTHPXKDARD-UHFFFAOYSA-N -1 0 412.489 4.121 20 30 HIEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000110984509 853179818 /nfs/dbraw/zinc/17/98/18/853179818.db2.gz GHCOHGGUCRKKMP-UHFFFAOYSA-N -1 0 404.470 4.198 20 30 HIEDRM C=C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000111074154 853197637 /nfs/dbraw/zinc/19/76/37/853197637.db2.gz OAMWYACYIHNVJO-UHFFFAOYSA-N -1 0 424.444 4.298 20 30 HIEDRM C=CCn1c(-c2sc(NC(=O)[C@@H](C)c3cccc(OC)c3)nc2C)n[nH]c1=S ZINC000195609131 853711808 /nfs/dbraw/zinc/71/18/08/853711808.db2.gz PYAXUMSUJYGGQL-NSHDSACASA-N -1 0 415.544 4.309 20 30 HIEDRM O=C(C=Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccccc1Br ZINC000207139749 853801502 /nfs/dbraw/zinc/80/15/02/853801502.db2.gz SDWYZOVZVGBTKM-YFHOEESVSA-N -1 0 400.681 4.461 20 30 HIEDRM N#CC(=C([O-])c1csc(I)c1)c1nc2ccccc2s1 ZINC000216998677 853859353 /nfs/dbraw/zinc/85/93/53/853859353.db2.gz XUMDUIHJERCZMO-VIFPVBQESA-N -1 0 410.261 4.452 20 30 HIEDRM CC(C)(C)c1noc(CCC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000236747293 853918721 /nfs/dbraw/zinc/91/87/21/853918721.db2.gz BYYZQDXILGQZMC-UHFFFAOYSA-N -1 0 417.465 4.036 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)CCCc3nc(C4CC4)no3)c2)c1 ZINC000238060359 854138434 /nfs/dbraw/zinc/13/84/34/854138434.db2.gz WFRGLEKZFCHYJN-UHFFFAOYSA-N -1 0 415.449 4.006 20 30 HIEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1C ZINC000303349756 854886976 /nfs/dbraw/zinc/88/69/76/854886976.db2.gz NHLWVCQVGBTGRA-AWEZNQCLSA-N -1 0 405.501 4.407 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nc(-c4cnn(C)c4)oc3C)n2)cc1 ZINC000437354572 862634667 /nfs/dbraw/zinc/63/46/67/862634667.db2.gz MCXVITONVBJLCX-MRXNPFEDSA-N -1 0 419.466 4.006 20 30 HIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000314278974 855374777 /nfs/dbraw/zinc/37/47/77/855374777.db2.gz FTUQGWSITQPNBP-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c1 ZINC000410355083 855945328 /nfs/dbraw/zinc/94/53/28/855945328.db2.gz PZNGJMDTHYELKA-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1 ZINC000410360373 855949752 /nfs/dbraw/zinc/94/97/52/855949752.db2.gz RLIUZLHXWITVSY-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410373068 855958790 /nfs/dbraw/zinc/95/87/90/855958790.db2.gz JLTJEBCRMCHENP-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1C ZINC000425983551 856031168 /nfs/dbraw/zinc/03/11/68/856031168.db2.gz VNZBQGMRBFNUED-UHFFFAOYSA-N -1 0 417.487 4.281 20 30 HIEDRM Cc1nc2ccc(S(=O)(=O)[N-]c3ccccc3Oc3ncccc3C#N)cc2s1 ZINC000427124879 856653231 /nfs/dbraw/zinc/65/32/31/856653231.db2.gz XBNBHWYIFMUHLN-UHFFFAOYSA-N -1 0 422.491 4.465 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cccc1-c1ncco1 ZINC000427318763 856768363 /nfs/dbraw/zinc/76/83/63/856768363.db2.gz FJOQVBUMGHRDMJ-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1C#N ZINC000427330035 856774825 /nfs/dbraw/zinc/77/48/25/856774825.db2.gz JHOLBZWTSCLHQS-UHFFFAOYSA-N -1 0 415.906 4.025 20 30 HIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000427707007 856917278 /nfs/dbraw/zinc/91/72/78/856917278.db2.gz OWSKJAJZHXVFBA-UHFFFAOYSA-N -1 0 409.360 4.367 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)cc1C#N ZINC000428039411 857052041 /nfs/dbraw/zinc/05/20/41/857052041.db2.gz DOQLWVMNYMDZSC-UHFFFAOYSA-N -1 0 419.909 4.415 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NC(C)(C)c2ccc(Br)c(C)c2)cc1C#N ZINC000428126173 857082372 /nfs/dbraw/zinc/08/23/72/857082372.db2.gz AUVTZMLIWQTEGW-UHFFFAOYSA-N -1 0 420.332 4.117 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2c(F)cccc2F)n1)c1nc2ccccc2n1C(F)F ZINC000429727178 857852274 /nfs/dbraw/zinc/85/22/74/857852274.db2.gz UMIHRHONMYLFEE-NSHDSACASA-N -1 0 413.334 4.385 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnc3c(Cl)cc(Br)cc23)cc1 ZINC000430077036 858021620 /nfs/dbraw/zinc/02/16/20/858021620.db2.gz FVCDXJATNJVSRI-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM CCCc1c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cnn1-c1ccccc1C ZINC000430177603 858067511 /nfs/dbraw/zinc/06/75/11/858067511.db2.gz KCEDJEVEQKAPGC-UHFFFAOYSA-N -1 0 407.499 4.080 20 30 HIEDRM COc1nc(C)c(Br)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430629739 858241111 /nfs/dbraw/zinc/24/11/11/858241111.db2.gz QTWGRQMMAHGRLT-LLVKDONJSA-N -1 0 408.321 4.405 20 30 HIEDRM COc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1Cl ZINC000431187587 858495145 /nfs/dbraw/zinc/49/51/45/858495145.db2.gz PXCHVNAEJXWPJH-UHFFFAOYSA-N -1 0 415.696 4.092 20 30 HIEDRM CCc1cccc(S(=O)(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC000431339878 858571742 /nfs/dbraw/zinc/57/17/42/858571742.db2.gz ZMZGMGZYEVXDJQ-UHFFFAOYSA-N -1 0 416.553 4.065 20 30 HIEDRM C=C[C@H](CC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1)c1ccccc1 ZINC000431509945 858649830 /nfs/dbraw/zinc/64/98/30/858649830.db2.gz QSMBBCBQRJYXAL-DYESRHJHSA-N -1 0 406.482 4.064 20 30 HIEDRM O=S(=O)([N-]CC[C@@H](c1ccccc1)C(F)(F)F)c1c(F)c(F)cc(F)c1F ZINC000432275469 859079359 /nfs/dbraw/zinc/07/93/59/859079359.db2.gz CDXJJJGNJLETCN-JTQLQIEISA-N -1 0 415.330 4.258 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1C#N ZINC000435137259 860659229 /nfs/dbraw/zinc/65/92/29/860659229.db2.gz KMNNGUSZNYXLSK-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n(-c2ccccc2F)n1 ZINC000435158155 860669835 /nfs/dbraw/zinc/66/98/35/860669835.db2.gz IIXOCZLSXFAEMH-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM CC(=Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435334985 860745375 /nfs/dbraw/zinc/74/53/75/860745375.db2.gz DOFGUVRHFHIGFC-RAXLEYEMSA-N -1 0 404.857 4.416 20 30 HIEDRM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1Cl ZINC000435499124 860823240 /nfs/dbraw/zinc/82/32/40/860823240.db2.gz CMSISZVDHRIBSL-LBPRGKRZSA-N -1 0 423.947 4.089 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(OCC)cc2C)cnn1-c1cccc(C#N)c1 ZINC000438817762 864310466 /nfs/dbraw/zinc/31/04/66/864310466.db2.gz GGLCPBDDUDGAJJ-UHFFFAOYSA-N -1 0 424.526 4.204 20 30 HIEDRM CCN(C[C@H](C)C#N)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000438997080 864453725 /nfs/dbraw/zinc/45/37/25/864453725.db2.gz QKMJSSTYSCYRRC-SECBINFHSA-N -1 0 401.681 4.160 20 30 HIEDRM CC(C)c1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccccc1F ZINC000442614087 867559066 /nfs/dbraw/zinc/55/90/66/867559066.db2.gz GMQNCYCLFYPWOK-CYBMUJFWSA-N -1 0 417.366 4.434 20 30 HIEDRM N#CC(=C([O-])c1cccc(C(=O)N2CCCC2)n1)c1nc2cc(Cl)ccc2s1 ZINC000442673871 867609336 /nfs/dbraw/zinc/60/93/36/867609336.db2.gz WFCPIKZSTYDLEL-ZDUSSCGKSA-N -1 0 410.886 4.071 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cccc1N1CCNC1=O ZINC000442696092 867631295 /nfs/dbraw/zinc/63/12/95/867631295.db2.gz XVZZQICQHMMWLJ-AWEZNQCLSA-N -1 0 410.886 4.278 20 30 HIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3nc(C(C)C)n(-c4ccccc4F)n3)nc21 ZINC000442739574 867657525 /nfs/dbraw/zinc/65/75/25/867657525.db2.gz QJQLYRUDMFNWQZ-AWEZNQCLSA-N -1 0 402.433 4.205 20 30 HIEDRM Cc1c(NC(=O)c2ccc(C#N)c([O-])c2)cccc1C(=O)N1CCc2sccc2C1 ZINC000442827747 867689619 /nfs/dbraw/zinc/68/96/19/867689619.db2.gz LTJMLOSPKNYGDP-UHFFFAOYSA-N -1 0 417.490 4.085 20 30 HIEDRM CC(C)(C)C(=O)NCc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000442858913 867700826 /nfs/dbraw/zinc/70/08/26/867700826.db2.gz TYUKBSIZBZXGHF-SFHVURJKSA-N -1 0 418.522 4.357 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000443355112 867922731 /nfs/dbraw/zinc/92/27/31/867922731.db2.gz AVAOZKVZUPLUIP-UHFFFAOYSA-N -1 0 418.272 4.140 20 30 HIEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443404759 867984683 /nfs/dbraw/zinc/98/46/83/867984683.db2.gz HJWGGRCDTNJSOE-UHFFFAOYSA-N -1 0 407.373 4.341 20 30 HIEDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C#N)ccc3OC(F)F)c2)n1 ZINC000443411110 867995491 /nfs/dbraw/zinc/99/54/91/867995491.db2.gz CPQSNTXVJJTIQE-UHFFFAOYSA-N -1 0 421.450 4.392 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000443414810 868000867 /nfs/dbraw/zinc/00/08/67/868000867.db2.gz JIQNMQOCGZOUIX-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM N#CC1(CS(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CCCCC1 ZINC000443968317 868499070 /nfs/dbraw/zinc/49/90/70/868499070.db2.gz OBSQPOGTHAPTJP-AWEZNQCLSA-N -1 0 412.836 4.476 20 30 HIEDRM CSc1ccccc1S(=O)(=O)[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000444043988 868582177 /nfs/dbraw/zinc/58/21/77/868582177.db2.gz IDSMBIZJTKSPSP-UHFFFAOYSA-N -1 0 401.538 4.128 20 30 HIEDRM C=CC[C@@H]1N(C(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CCCC1(C)C ZINC000444635621 868923767 /nfs/dbraw/zinc/92/37/67/868923767.db2.gz LEVQDJUHEDSESG-KRWDZBQOSA-N -1 0 419.572 4.151 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCCC#N)c(Cl)c1 ZINC000468347803 882283954 /nfs/dbraw/zinc/28/39/54/882283954.db2.gz UGZGLFTZRYITCY-UHFFFAOYSA-N -1 0 417.918 4.032 20 30 HIEDRM N#Cc1ccc(NC(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1C(F)(F)F ZINC000446858278 870780336 /nfs/dbraw/zinc/78/03/36/870780336.db2.gz ZEZKDOIACBUKEJ-UHFFFAOYSA-N -1 0 418.158 4.167 20 30 HIEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3cnc4ccccc4n3)s2)cc1OC ZINC000447629794 871538166 /nfs/dbraw/zinc/53/81/66/871538166.db2.gz PYEFPJQFXKJEAX-CQSZACIVSA-N -1 0 416.462 4.261 20 30 HIEDRM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000468834139 882882004 /nfs/dbraw/zinc/88/20/04/882882004.db2.gz FNOQYCSOHBWVIX-LBPRGKRZSA-N -1 0 406.314 4.363 20 30 HIEDRM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3C#N)cc2F)c1 ZINC000463374567 876430061 /nfs/dbraw/zinc/43/00/61/876430061.db2.gz IHINNHFUBYYKHJ-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM Cc1nn(C)c(C)c1[C@H]([N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F)C(F)(F)F ZINC000464098629 877255303 /nfs/dbraw/zinc/25/53/03/877255303.db2.gz BSLDBMZXXYLLCH-ZDUSSCGKSA-N -1 0 415.284 4.367 20 30 HIEDRM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000464191191 877362443 /nfs/dbraw/zinc/36/24/43/877362443.db2.gz ZKUFRBFFPBPITD-ZDUSSCGKSA-N -1 0 407.289 4.306 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)nn1-c1ccccc1 ZINC000464426516 877636956 /nfs/dbraw/zinc/63/69/56/877636956.db2.gz NAVCTBYYBBTYMP-UHFFFAOYSA-N -1 0 422.510 4.211 20 30 HIEDRM N#CC(=C([O-])c1ccc(Br)cc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 ZINC000464471940 877694501 /nfs/dbraw/zinc/69/45/01/877694501.db2.gz NOHMPTSRGSIXRJ-NSHDSACASA-N -1 0 414.137 4.261 20 30 HIEDRM N#CCCn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1-c1ccccc1 ZINC000464472389 877694823 /nfs/dbraw/zinc/69/48/23/877694823.db2.gz DVDNBUNDHFWLFN-MRXNPFEDSA-N -1 0 409.371 4.368 20 30 HIEDRM Cc1nn(C)c(Sc2ccccc2)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000464518303 877739914 /nfs/dbraw/zinc/73/99/14/877739914.db2.gz ZBAMTYSOUOWMAV-INIZCTEOSA-N -1 0 401.495 4.257 20 30 HIEDRM COc1ccccc1-n1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000467199288 880928016 /nfs/dbraw/zinc/92/80/16/880928016.db2.gz ZBKXRVNVTCYWOQ-INIZCTEOSA-N -1 0 415.478 4.198 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000467336662 881088365 /nfs/dbraw/zinc/08/83/65/881088365.db2.gz QRCJISXBOAHMEY-GFCCVEGCSA-N -1 0 413.528 4.313 20 30 HIEDRM N#CC(=C([O-])c1ccc(S(=O)(=O)c2ccccc2)s1)c1nc2ccccc2o1 ZINC000467427780 881218317 /nfs/dbraw/zinc/21/83/17/881218317.db2.gz HRWVMQGBTWYFQY-AWEZNQCLSA-N -1 0 408.460 4.212 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)ccc2OCC2CCC2)cc1C#N ZINC000469894017 884085824 /nfs/dbraw/zinc/08/58/24/884085824.db2.gz SSTFNPKSEFESGV-UHFFFAOYSA-N -1 0 403.891 4.465 20 30 HIEDRM N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(F)c(F)c3F)s2)cc1 ZINC000470890707 885384937 /nfs/dbraw/zinc/38/49/37/885384937.db2.gz JNULEEFRURMTID-UHFFFAOYSA-N -1 0 406.414 4.372 20 30 HIEDRM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000471135673 885675377 /nfs/dbraw/zinc/67/53/77/885675377.db2.gz FHSAOOWJYNBEFN-CYBMUJFWSA-N -1 0 405.501 4.466 20 30 HIEDRM CC(C)(c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1)c1ccccc1 ZINC000471520307 886222362 /nfs/dbraw/zinc/22/23/62/886222362.db2.gz CXUCPMOMOKJYSS-UHFFFAOYSA-N -1 0 418.931 4.190 20 30 HIEDRM Cc1cn([C@@H](C)c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000471580113 886291004 /nfs/dbraw/zinc/29/10/04/886291004.db2.gz FIBMCRSPXFOUTJ-AWEZNQCLSA-N -1 0 400.891 4.127 20 30 HIEDRM CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2)n[nH]1 ZINC000473486795 888207875 /nfs/dbraw/zinc/20/78/75/888207875.db2.gz FAFVVKXBGHDACL-INIZCTEOSA-N -1 0 400.467 4.043 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c(C(F)(F)F)c1 ZINC000474389163 889261319 /nfs/dbraw/zinc/26/13/19/889261319.db2.gz MKPDZVPOAFBCPD-UHFFFAOYSA-N -1 0 406.332 4.022 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(-c3ccccc3C(F)(F)F)nn2)n1 ZINC000474430611 889295663 /nfs/dbraw/zinc/29/56/63/889295663.db2.gz GJKSMFKMZXTEPT-NSHDSACASA-N -1 0 405.405 4.356 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(-c3cccc(C(F)(F)F)c3)nn2)n1 ZINC000474444327 889310812 /nfs/dbraw/zinc/31/08/12/889310812.db2.gz HGAWEYULSMWFTM-CYBMUJFWSA-N -1 0 405.405 4.356 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2SCC(=O)N2CCCC2)n1 ZINC000474451348 889317393 /nfs/dbraw/zinc/31/73/93/889317393.db2.gz XLMJIKVTBICBAO-MRXNPFEDSA-N -1 0 413.568 4.471 20 30 HIEDRM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N)c1ccccc1 ZINC000475807173 890741816 /nfs/dbraw/zinc/74/18/16/890741816.db2.gz CNEWPNAPVAYACX-KRWDZBQOSA-N -1 0 419.506 4.044 20 30 HIEDRM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1ccc(F)c(F)c1F ZINC000475817160 890752006 /nfs/dbraw/zinc/75/20/06/890752006.db2.gz VFKPHBWGGRKDPP-UHFFFAOYSA-N -1 0 402.291 4.018 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)cc1C#N ZINC000476534801 891447883 /nfs/dbraw/zinc/44/78/83/891447883.db2.gz LBFLWMLCNMAEII-KRWDZBQOSA-N -1 0 409.511 4.039 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2CN2CCc3ccccc32)cc1C#N ZINC000476788709 891770129 /nfs/dbraw/zinc/77/01/29/891770129.db2.gz IBIJRQSLQNCGFO-UHFFFAOYSA-N -1 0 416.506 4.196 20 30 HIEDRM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccn2)C1 ZINC000478536237 893837496 /nfs/dbraw/zinc/83/74/96/893837496.db2.gz JINRIVPDMLNAFQ-BEFAXECRSA-N -1 0 413.506 4.413 20 30 HIEDRM Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)cc1C(=O)[O-] ZINC000479236542 894499122 /nfs/dbraw/zinc/49/91/22/894499122.db2.gz AJIRKMLYWJUSLB-LLVKDONJSA-N -1 0 424.931 4.399 20 30 HIEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000479483073 894805429 /nfs/dbraw/zinc/80/54/29/894805429.db2.gz LCLCWWVRNURETQ-UHFFFAOYSA-N -1 0 416.890 4.155 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000479507672 894821612 /nfs/dbraw/zinc/82/16/12/894821612.db2.gz ABBUZQXQGIZVCY-UHFFFAOYSA-N -1 0 417.918 4.029 20 30 HIEDRM COc1ccc(CN(Cc2ccccc2)C(=O)c2cc(C#N)c(SC)[n-]c2=O)cc1 ZINC000479763909 895065687 /nfs/dbraw/zinc/06/56/87/895065687.db2.gz DAFYFOQNJAHDMH-UHFFFAOYSA-N -1 0 419.506 4.232 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1C(F)(F)F ZINC000480106204 895477060 /nfs/dbraw/zinc/47/70/60/895477060.db2.gz USOSRBIQUDUGTB-UHFFFAOYSA-N -1 0 410.295 4.276 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1ccccc1C ZINC000480201781 895600458 /nfs/dbraw/zinc/60/04/58/895600458.db2.gz VYTGUTOEYMAKHW-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccccc2C#N)cnn1-c1ccc(Cl)cc1 ZINC000480256530 895666960 /nfs/dbraw/zinc/66/69/60/895666960.db2.gz ZXMMEOBAPJFWJI-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000481587537 896966131 /nfs/dbraw/zinc/96/61/31/896966131.db2.gz PVKGVBATAUUNQB-LLVKDONJSA-N -1 0 401.435 4.295 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)ccc1Cl ZINC000481883598 897255628 /nfs/dbraw/zinc/25/56/28/897255628.db2.gz RBPZYHRJALSZGI-UHFFFAOYSA-N -1 0 400.268 4.382 20 30 HIEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nn1 ZINC000482592585 898192670 /nfs/dbraw/zinc/19/26/70/898192670.db2.gz NZWSFCXGCYYTJQ-IGMNZBQBSA-N -1 0 409.559 4.447 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ncccc2Cl)c1C(F)F)c1cnc2ccccc2n1 ZINC000483191062 898849129 /nfs/dbraw/zinc/84/91/29/898849129.db2.gz AGICGJBNJXZFJI-NSHDSACASA-N -1 0 424.798 4.292 20 30 HIEDRM COc1cccc(C(=O)c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2)c1 ZINC000483213854 898863093 /nfs/dbraw/zinc/86/30/93/898863093.db2.gz WFYOMGINUIBDLA-FQEVSTJZSA-N -1 0 407.429 4.359 20 30 HIEDRM Cc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1-c1c(Cl)cccc1Cl ZINC000483222764 898867255 /nfs/dbraw/zinc/86/72/55/898867255.db2.gz APWYOURNEKGOFF-GFCCVEGCSA-N -1 0 423.263 4.316 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1-n1cccc1)c1cnc2ccccc2n1 ZINC000483224596 898869290 /nfs/dbraw/zinc/86/92/90/898869290.db2.gz FIQUGFRWDYGBCX-INIZCTEOSA-N -1 0 422.423 4.235 20 30 HIEDRM Cc1nc(COc2ccccc2C([O-])=C(C#N)c2cnc3ccccc3n2)cs1 ZINC000483247547 898890050 /nfs/dbraw/zinc/89/00/50/898890050.db2.gz XODIXSNDWQJAFS-QGZVFWFLSA-N -1 0 400.463 4.464 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C#N ZINC000483487102 899139707 /nfs/dbraw/zinc/13/97/07/899139707.db2.gz QTNQVSSRJAZSGO-NSHDSACASA-N -1 0 402.266 4.212 20 30 HIEDRM COc1c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cccc1[N+](=O)[O-] ZINC000483525944 899188007 /nfs/dbraw/zinc/18/80/07/899188007.db2.gz QNYCQKWESRNIBJ-LLVKDONJSA-N -1 0 415.377 4.495 20 30 HIEDRM N#Cc1ccc(SCC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000486092665 901281353 /nfs/dbraw/zinc/28/13/53/901281353.db2.gz GDRPVEQDPBPTES-UHFFFAOYSA-N -1 0 423.519 4.090 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2-c2ccccc2)n1 ZINC000488081349 902587100 /nfs/dbraw/zinc/58/71/00/902587100.db2.gz WVKCMJRQIIEKIP-OAHLLOKOSA-N -1 0 408.483 4.254 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)ccc1F ZINC000488250946 902724058 /nfs/dbraw/zinc/72/40/58/902724058.db2.gz OORRFHLHTQNXRE-MRXNPFEDSA-N -1 0 424.881 4.099 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2cn(-c3ccc(Br)cc3)nc2C)n1 ZINC000490697853 904179363 /nfs/dbraw/zinc/17/93/63/904179363.db2.gz UPDHZBJIJJXLKU-CQSZACIVSA-N -1 0 401.289 4.198 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000494302222 905621455 /nfs/dbraw/zinc/62/14/55/905621455.db2.gz XBWFGVHKUMQKRB-UHFFFAOYSA-N -1 0 400.287 4.013 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1-c1ccc(C)cc1 ZINC000512500031 921201760 /nfs/dbraw/zinc/20/17/60/921201760.db2.gz SVOUONHUWWGWNT-IBGZPJMESA-N -1 0 424.489 4.369 20 30 HIEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cn1C ZINC000496228474 906633881 /nfs/dbraw/zinc/63/38/81/906633881.db2.gz ZFJHDPXNGWJVIP-ULYJJNKVSA-N -1 0 423.538 4.226 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc(Br)cc2)n1)c1nc2ccccc2o1 ZINC000496770504 906753827 /nfs/dbraw/zinc/75/38/27/906753827.db2.gz OQTGGRALPKXJET-AWEZNQCLSA-N -1 0 407.227 4.266 20 30 HIEDRM Cc1ccc(S(=O)(=O)Nc2ccccc2SC[C@@H](C)C#N)c(C)c1C(=O)[O-] ZINC000512743700 921300668 /nfs/dbraw/zinc/30/06/68/921300668.db2.gz ZEKIMWJLZCPUID-LBPRGKRZSA-N -1 0 404.513 4.054 20 30 HIEDRM CCc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1S(C)(=O)=O ZINC000498680364 908108984 /nfs/dbraw/zinc/10/89/84/908108984.db2.gz IQIXFLNVSFIBMO-QGZVFWFLSA-N -1 0 410.520 4.266 20 30 HIEDRM CN(C)c1cc(Br)cc(C(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000499457452 908805747 /nfs/dbraw/zinc/80/57/47/908805747.db2.gz STXCCMXEVMNYLV-CQSZACIVSA-N -1 0 412.209 4.419 20 30 HIEDRM N#CC(=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1)c1nc2ccccc2[nH]1 ZINC000501311042 910463961 /nfs/dbraw/zinc/46/39/61/910463961.db2.gz ONQIKOICVGXOIM-CYBMUJFWSA-N -1 0 402.845 4.164 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cccc1OCC(F)(F)F ZINC000502781058 911805161 /nfs/dbraw/zinc/80/51/61/911805161.db2.gz JSXFYNQUAPCRRR-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000506635616 915303256 /nfs/dbraw/zinc/30/32/56/915303256.db2.gz YLGYBHKZCYZZCI-SECBINFHSA-N -1 0 404.410 4.296 20 30 HIEDRM O=S(=O)([N-]c1cc(F)cc(NCC(F)(F)F)c1)c1c(F)c(F)cc(F)c1F ZINC000507916479 916796259 /nfs/dbraw/zinc/79/62/59/916796259.db2.gz ARWKMRGRIXYFIX-UHFFFAOYSA-N -1 0 420.281 4.157 20 30 HIEDRM O=S(=O)([N-][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1c(F)cc(F)cc1F ZINC000507918790 916798014 /nfs/dbraw/zinc/79/80/14/916798014.db2.gz HHZHQNJCRNMSFM-ZDUSSCGKSA-N -1 0 401.303 4.215 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508069179 916891927 /nfs/dbraw/zinc/89/19/27/916891927.db2.gz PXTWFKCITQJBLE-MRXNPFEDSA-N -1 0 413.808 4.275 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)nc2ccccc12 ZINC000508115107 916932546 /nfs/dbraw/zinc/93/25/46/916932546.db2.gz HNYAYEBVIDDGJV-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000509613871 918263335 /nfs/dbraw/zinc/26/33/35/918263335.db2.gz PWXGXTMJSJJXFS-UHFFFAOYSA-N -1 0 416.405 4.438 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000511734368 920402513 /nfs/dbraw/zinc/40/25/13/920402513.db2.gz MFQMXMBUCBOPNK-UHFFFAOYSA-N -1 0 424.444 4.320 20 30 HIEDRM C=CCOc1cccc(NC(=O)N(CC(=O)[O-])Cc2cccc(Br)c2)c1 ZINC000515118212 922930274 /nfs/dbraw/zinc/93/02/74/922930274.db2.gz RKBDEPHPANGSND-UHFFFAOYSA-N -1 0 419.275 4.133 20 30 HIEDRM CCc1cccc(Cc2cnc(NC(=O)c3cc(C#N)c(SC)[n-]c3=O)s2)c1 ZINC000515425281 923095569 /nfs/dbraw/zinc/09/55/69/923095569.db2.gz YMEYWDZEIPDMSQ-UHFFFAOYSA-N -1 0 410.524 4.243 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(COc3ccc(F)cc3)c2)cc1C#N ZINC000516101802 923542939 /nfs/dbraw/zinc/54/29/39/923542939.db2.gz BUJQUGRZIBRDCW-UHFFFAOYSA-N -1 0 409.442 4.351 20 30 HIEDRM N#CC(=C([O-])c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2ccccc2o1 ZINC000516264127 923634089 /nfs/dbraw/zinc/63/40/89/923634089.db2.gz FUVZCVQBLRIXRD-LJQANCHMSA-N -1 0 416.458 4.292 20 30 HIEDRM CNc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1[N+](=O)[O-] ZINC000516713605 923858638 /nfs/dbraw/zinc/85/86/38/923858638.db2.gz BEUWMSAGFSPZDZ-HNNXBMFYSA-N -1 0 408.439 4.259 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(OC)c(OC)c3OC)n2)cc1 ZINC000516714241 923860152 /nfs/dbraw/zinc/86/01/52/923860152.db2.gz WURFNLQRNBXPRW-INIZCTEOSA-N -1 0 424.478 4.335 20 30 HIEDRM C[C@](CC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)(C(=O)[O-])c1ccccc1 ZINC000516860164 923919913 /nfs/dbraw/zinc/91/99/13/923919913.db2.gz HUTBOWYPCYSOAA-HSZRJFAPSA-N -1 0 401.422 4.117 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)c3c2CCC3)c(C)c1 ZINC000517386424 924150562 /nfs/dbraw/zinc/15/05/62/924150562.db2.gz ORQBFWDHCPOERI-SFHVURJKSA-N -1 0 409.493 4.355 20 30 HIEDRM C=CC1CCN(C(=O)c2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000517701702 926802971 /nfs/dbraw/zinc/80/29/71/926802971.db2.gz YGJQDCNJZPSBEZ-UHFFFAOYSA-N -1 0 404.919 4.179 20 30 HIEDRM CSc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1NC(C)=O ZINC000517891217 926878136 /nfs/dbraw/zinc/87/81/36/926878136.db2.gz MFFSAYGPJDRDQS-HNNXBMFYSA-N -1 0 408.508 4.375 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C)nn4c3nc(C)cc4C)n2)cc1 ZINC000518515508 927319539 /nfs/dbraw/zinc/31/95/39/927319539.db2.gz VDAPOGMKUIXGDJ-QGZVFWFLSA-N -1 0 417.494 4.277 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1-c1cccc(C)c1 ZINC000518515434 927319979 /nfs/dbraw/zinc/31/99/79/927319979.db2.gz GEZCZRBRXPSPPY-IBGZPJMESA-N -1 0 424.489 4.369 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)nnn1-c1cccc2cnccc21 ZINC000518721360 927454037 /nfs/dbraw/zinc/45/40/37/927454037.db2.gz PGDQZYNTOODTLP-MRXNPFEDSA-N -1 0 410.462 4.224 20 30 HIEDRM N#CC(=C([O-])c1ccc(C(N)=O)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000519481224 927979762 /nfs/dbraw/zinc/97/97/62/927979762.db2.gz LVVCZCQKMYKCEQ-GFCCVEGCSA-N -1 0 417.277 4.101 20 30 HIEDRM Cc1c2ccc(C(F)(F)F)nc2sc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000520164787 928356815 /nfs/dbraw/zinc/35/68/15/928356815.db2.gz NRPJYLJTDVUNTM-LBPRGKRZSA-N -1 0 419.432 4.432 20 30 HIEDRM Cc1cc2ncc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)c(C)n2n1 ZINC000520427533 928559461 /nfs/dbraw/zinc/55/94/61/928559461.db2.gz NHDOWMKXDNAJGU-GFCCVEGCSA-N -1 0 409.421 4.238 20 30 HIEDRM CCN(C(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1Cl)C(C)C ZINC000520719196 928768353 /nfs/dbraw/zinc/76/83/53/928768353.db2.gz RQUWLEHTANAVAS-UHFFFAOYSA-N -1 0 423.897 4.022 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc(-c3ccc4c(c3)CCO4)n2)ccc1Cl ZINC000521025345 928941664 /nfs/dbraw/zinc/94/16/64/928941664.db2.gz DGRMXTZZOJYQIE-UHFFFAOYSA-N -1 0 411.870 4.009 20 30 HIEDRM C=CCN(C(=O)Nc1ccc(C)c(OC(F)F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000521529330 929277270 /nfs/dbraw/zinc/27/72/70/929277270.db2.gz LBBGCDGVFJGDKZ-QGZVFWFLSA-N -1 0 404.413 4.312 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(Cc2cccc(Cl)c2)s1 ZINC000524919938 929889518 /nfs/dbraw/zinc/88/95/18/929889518.db2.gz WKIVSTFVDOEWGO-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cn1 ZINC000525366505 930199028 /nfs/dbraw/zinc/19/90/28/930199028.db2.gz DCWDATOSDOCWRO-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000525482088 930271480 /nfs/dbraw/zinc/27/14/80/930271480.db2.gz ZZQZUQUPRUAXST-UHFFFAOYSA-N -1 0 423.450 4.155 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccn1 ZINC000533956172 932130964 /nfs/dbraw/zinc/13/09/64/932130964.db2.gz HTPWRPBXAMTHOK-ZDUSSCGKSA-N -1 0 406.396 4.065 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccn3)c2C(F)(F)F)n1 ZINC000533981037 932157588 /nfs/dbraw/zinc/15/75/88/932157588.db2.gz GGGKDCZKKKBCDZ-NSHDSACASA-N -1 0 405.405 4.356 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000535780691 933385051 /nfs/dbraw/zinc/38/50/51/933385051.db2.gz DDOQWXNFXBOLEE-UHFFFAOYSA-N -1 0 420.313 4.245 20 30 HIEDRM COc1ccc(-n2nc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc2C)cc1 ZINC000538919912 938737837 /nfs/dbraw/zinc/73/78/37/938737837.db2.gz VYOGPZGHUIRWMP-INIZCTEOSA-N -1 0 421.407 4.424 20 30 HIEDRM C=CCOc1cccc(NC(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000797739467 939201767 /nfs/dbraw/zinc/20/17/67/939201767.db2.gz KHPHTCJLMURXMP-IBGZPJMESA-N -1 0 419.275 4.135 20 30 HIEDRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccn(-c4ccc(C#N)cc4Cl)n3)c2n1 ZINC000541125957 939469968 /nfs/dbraw/zinc/46/99/68/939469968.db2.gz QIIFWSCGEONGLY-UHFFFAOYSA-N -1 0 423.885 4.055 20 30 HIEDRM O=C(N[C@@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000541747351 939619846 /nfs/dbraw/zinc/61/98/46/939619846.db2.gz GZUDXELAAROIKA-ZDUSSCGKSA-N -1 0 415.236 4.444 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cnn1-c1ccccc1 ZINC000543022393 939897030 /nfs/dbraw/zinc/89/70/30/939897030.db2.gz GWRMJSAOGHGFAB-UHFFFAOYSA-N -1 0 400.891 4.151 20 30 HIEDRM COc1cccc(-c2nc(=NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)s[n-]2)c1 ZINC000543616349 940134248 /nfs/dbraw/zinc/13/42/48/940134248.db2.gz HYDSUDSJHUHUDB-UHFFFAOYSA-N -1 0 421.526 4.197 20 30 HIEDRM CC1CCN(c2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cn2)CC1 ZINC000544816891 940516971 /nfs/dbraw/zinc/51/69/71/940516971.db2.gz AZJZORXEAHFKMX-SFHVURJKSA-N -1 0 403.511 4.326 20 30 HIEDRM CC(C)S(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000546033605 940678282 /nfs/dbraw/zinc/67/82/82/940678282.db2.gz XMYJTLLJCADELL-HNNXBMFYSA-N -1 0 417.437 4.104 20 30 HIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000546088568 940696390 /nfs/dbraw/zinc/69/63/90/940696390.db2.gz VBEFCINMQBRASA-UHFFFAOYSA-N -1 0 407.623 4.053 20 30 HIEDRM N#Cc1ccccc1S(=O)(=O)N(CCC1=CCCCC1)c1ccccc1C(=O)[O-] ZINC000548538861 941113103 /nfs/dbraw/zinc/11/31/03/941113103.db2.gz YCVZXOUBYQKTQB-UHFFFAOYSA-N -1 0 410.495 4.342 20 30 HIEDRM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)nc1C ZINC000548926429 941129730 /nfs/dbraw/zinc/12/97/30/941129730.db2.gz QUCFNXKPMHODOX-KRWDZBQOSA-N -1 0 405.479 4.489 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cnc3c(C)cc(F)cc3c2O)cc1 ZINC000553205834 941848961 /nfs/dbraw/zinc/84/89/61/941848961.db2.gz FCQRGQUPZTVVQE-UHFFFAOYSA-N -1 0 419.456 4.042 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)cc1C#N ZINC000553781975 941967646 /nfs/dbraw/zinc/96/76/46/941967646.db2.gz IHXQWPPLDPCUOS-NSHDSACASA-N -1 0 409.433 4.103 20 30 HIEDRM CC(C)(C)OC(=O)c1cnc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000555076375 942378890 /nfs/dbraw/zinc/37/88/90/942378890.db2.gz JGDBXGODPLQHCF-CQSZACIVSA-N -1 0 406.467 4.045 20 30 HIEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000557604802 943228317 /nfs/dbraw/zinc/22/83/17/943228317.db2.gz XJWKXCVZSXXRRA-UHFFFAOYSA-N -1 0 413.909 4.227 20 30 HIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000558135515 943392588 /nfs/dbraw/zinc/39/25/88/943392588.db2.gz OINROCTWDKTKQY-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM N#CC(=C([O-])c1cnnn1Cc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000560545143 944248448 /nfs/dbraw/zinc/24/84/48/944248448.db2.gz UPQISXYFYCKNDY-CQSZACIVSA-N -1 0 421.432 4.218 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)sc1SCC#N ZINC000565629929 945859332 /nfs/dbraw/zinc/85/93/32/945859332.db2.gz AIPAIQBWHFRPIR-UHFFFAOYSA-N -1 0 407.464 4.195 20 30 HIEDRM C=CCN(C(=O)Nc1cccc(OCC(F)(F)F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000568010259 946441809 /nfs/dbraw/zinc/44/18/09/946441809.db2.gz ULFHCKOSJKSWNT-GOSISDBHSA-N -1 0 422.403 4.344 20 30 HIEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)c1 ZINC000572702949 947990477 /nfs/dbraw/zinc/99/04/77/947990477.db2.gz NKTHVCKGUNCYFZ-GOSISDBHSA-N -1 0 404.850 4.251 20 30 HIEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000574022892 948350838 /nfs/dbraw/zinc/35/08/38/948350838.db2.gz JOLHVHRZEMMRDI-QGZVFWFLSA-N -1 0 419.275 4.351 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000008522799 845532561 /nfs/dbraw/zinc/53/25/61/845532561.db2.gz ZXMIZEXJHXMOAW-GOSISDBHSA-N -1 0 410.426 4.416 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3C)cc2[n-]c1=S ZINC000011571982 845813614 /nfs/dbraw/zinc/81/36/14/845813614.db2.gz XAIQSMCZIYQXCZ-UHFFFAOYSA-N -1 0 420.538 4.406 20 30 HIEDRM C[C@@H](/N=C/c1cc(Br)cc(Br)c1[O-])c1nnc2ccccn21 ZINC000015149746 846013700 /nfs/dbraw/zinc/01/37/00/846013700.db2.gz INZRWSUQCYJYSP-SEYNJHBTSA-N -1 0 424.096 4.140 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000436475645 861818702 /nfs/dbraw/zinc/81/87/02/861818702.db2.gz HIKPTPDLSDPPBY-UHFFFAOYSA-N -1 0 422.329 4.127 20 30 HIEDRM N#CC(=C([O-])c1ccc(-n2cc(Br)cn2)cc1)c1nc2ccccc2o1 ZINC000041539684 848228953 /nfs/dbraw/zinc/22/89/53/848228953.db2.gz DGSIAGGIGQOCIT-OAHLLOKOSA-N -1 0 407.227 4.266 20 30 HIEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 ZINC000041548819 848229262 /nfs/dbraw/zinc/22/92/62/848229262.db2.gz XZNKPZYGYJHYQZ-HNNXBMFYSA-N -1 0 417.412 4.441 20 30 HIEDRM COc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000041558169 848232823 /nfs/dbraw/zinc/23/28/23/848232823.db2.gz SFEUYKUXJJWMLM-AWEZNQCLSA-N -1 0 407.380 4.116 20 30 HIEDRM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc2NC1=O ZINC000041559643 848233459 /nfs/dbraw/zinc/23/34/59/848233459.db2.gz CZZKPXXZOMQEEV-CMPLNLGQSA-N -1 0 412.421 4.354 20 30 HIEDRM Cc1cc(C(C#N)=C([O-])c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)nc(C)n1 ZINC000041561029 848233525 /nfs/dbraw/zinc/23/35/25/848233525.db2.gz JKOMBRXACWBTJM-MRXNPFEDSA-N -1 0 418.457 4.032 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccccc2F)c2c1CCC2)c1ccc(C(F)(F)F)cn1 ZINC000048829536 849273080 /nfs/dbraw/zinc/27/30/80/849273080.db2.gz TWCYMDKFMLLMJR-CQSZACIVSA-N -1 0 414.362 4.404 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2ccccc2F)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393017 849308909 /nfs/dbraw/zinc/30/89/09/849308909.db2.gz JFLRLWYMEZCIMB-HNNXBMFYSA-N -1 0 414.400 4.087 20 30 HIEDRM N#CC(=C([O-])c1cc2c(s1)CCCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392237 849309282 /nfs/dbraw/zinc/30/92/82/849309282.db2.gz BTRWIJLZRMCLKP-HNNXBMFYSA-N -1 0 404.499 4.018 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1-n1cccc1 ZINC000051677703 849502995 /nfs/dbraw/zinc/50/29/95/849502995.db2.gz RAGMDGUWEXMZCG-LBPRGKRZSA-N -1 0 415.400 4.329 20 30 HIEDRM O=C(CCCOCc1ccccc1)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000051897001 849526876 /nfs/dbraw/zinc/52/68/76/849526876.db2.gz GEKBKXVRYYWBAK-UHFFFAOYSA-N -1 0 401.406 4.348 20 30 HIEDRM N#CC(=C([O-])c1cc(-c2ccc(Br)cc2)[nH]n1)c1nc2ccccc2o1 ZINC000054734715 849915877 /nfs/dbraw/zinc/91/58/77/849915877.db2.gz VYDKFZGHYBBMBU-ZDUSSCGKSA-N -1 0 407.227 4.470 20 30 HIEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000057123569 850554110 /nfs/dbraw/zinc/55/41/10/850554110.db2.gz GZPBMUOSXQEMBG-UHFFFAOYSA-N -1 0 408.882 4.094 20 30 HIEDRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cnc(-c3ccc(C)cc3C)s2)cc1 ZINC000061067094 851286453 /nfs/dbraw/zinc/28/64/53/851286453.db2.gz PYKIUCWPCIEJKW-UHFFFAOYSA-N -1 0 414.508 4.323 20 30 HIEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000061067235 851286606 /nfs/dbraw/zinc/28/66/06/851286606.db2.gz SQWCVIRPHMTEQE-UHFFFAOYSA-N -1 0 401.406 4.382 20 30 HIEDRM Cc1nc(C(C)(C)C)sc1C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000061067379 851287345 /nfs/dbraw/zinc/28/73/45/851287345.db2.gz MBVZDFPWXMHICO-UHFFFAOYSA-N -1 0 406.451 4.461 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2csc(Cc3ccc(F)cc3)n2)cc1C ZINC000065484515 852155255 /nfs/dbraw/zinc/15/52/55/852155255.db2.gz JSYSAPSDFJMEAW-UHFFFAOYSA-N -1 0 418.515 4.378 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000072032266 852474842 /nfs/dbraw/zinc/47/48/42/852474842.db2.gz AJJFSQGHQSNHMY-HNNXBMFYSA-N -1 0 409.423 4.226 20 30 HIEDRM CCCn1nc(C)c(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c1C ZINC000237083142 853961907 /nfs/dbraw/zinc/96/19/07/853961907.db2.gz RRKAWATZRWPWQZ-UHFFFAOYSA-N -1 0 401.466 4.260 20 30 HIEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000301768198 854462418 /nfs/dbraw/zinc/46/24/18/854462418.db2.gz ZKNLGTRMVSZEIF-UHFFFAOYSA-N -1 0 406.342 4.013 20 30 HIEDRM N#Cc1cccc([N-]S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)c1 ZINC000303177748 854802794 /nfs/dbraw/zinc/80/27/94/854802794.db2.gz SWHBFTYSSHVJCG-UHFFFAOYSA-N -1 0 420.313 4.245 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1C(F)(F)F ZINC000316753451 855380932 /nfs/dbraw/zinc/38/09/32/855380932.db2.gz MIWKOEHFMBYJHC-UHFFFAOYSA-N -1 0 411.224 4.202 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1Br ZINC000380157348 855427824 /nfs/dbraw/zinc/42/78/24/855427824.db2.gz UXWVVEVNJGFRBW-UHFFFAOYSA-N -1 0 412.117 4.490 20 30 HIEDRM N#CC(=C([O-])c1ncccc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000437393831 862727836 /nfs/dbraw/zinc/72/78/36/862727836.db2.gz YWHVGAGFSWGFLU-JTQLQIEISA-N -1 0 410.302 4.258 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000437468423 862831178 /nfs/dbraw/zinc/83/11/78/862831178.db2.gz PFWXPYPFLNJBDG-YEORSEQZSA-N -1 0 407.417 4.076 20 30 HIEDRM Cc1c(Cl)cc(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)cc1Cl ZINC000430317572 858120422 /nfs/dbraw/zinc/12/04/22/858120422.db2.gz DKBDOAXYLCMHKF-UHFFFAOYSA-N -1 0 409.254 4.024 20 30 HIEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3ccc(Cl)c4ccccc43)o2)c1 ZINC000430332455 858124517 /nfs/dbraw/zinc/12/45/17/858124517.db2.gz OIYSAKOHRHIEKU-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(S(=O)(=O)CCCC#N)cc2)s1 ZINC000430583577 858226989 /nfs/dbraw/zinc/22/69/89/858226989.db2.gz NCKHOLSDLFAICO-MRXNPFEDSA-N -1 0 415.540 4.008 20 30 HIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ncoc2-c2ccc3c(c2)OCCO3)s1 ZINC000430603413 858233566 /nfs/dbraw/zinc/23/35/66/858233566.db2.gz NJNFOVQNRZSNPP-ZDUSSCGKSA-N -1 0 409.467 4.357 20 30 HIEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cn2)cc1OC ZINC000430622952 858239944 /nfs/dbraw/zinc/23/99/44/858239944.db2.gz GRVFMBXDBDSXFA-MRXNPFEDSA-N -1 0 424.526 4.193 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3cccnc3C(F)(F)F)c2)c1 ZINC000431662755 858721698 /nfs/dbraw/zinc/72/16/98/858721698.db2.gz RTDGACXMJHOWGQ-UHFFFAOYSA-N -1 0 410.351 4.451 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccc(Br)cc1 ZINC000432212852 859049744 /nfs/dbraw/zinc/04/97/44/859049744.db2.gz AVGSALLDNHEPEL-HNNXBMFYSA-N -1 0 420.270 4.310 20 30 HIEDRM N#CCCn1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)c(-c2ccncc2)n1 ZINC000432694502 859299483 /nfs/dbraw/zinc/29/94/83/859299483.db2.gz HRGJWEAJULLBPU-HYXAFXHYSA-N -1 0 401.451 4.337 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1CC1CCCC1 ZINC000434622755 860436088 /nfs/dbraw/zinc/43/60/88/860436088.db2.gz AAQAPWKJOWPCEN-SFHVURJKSA-N -1 0 416.510 4.262 20 30 HIEDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435200089 860692344 /nfs/dbraw/zinc/69/23/44/860692344.db2.gz FGMVXXJOPXMRMI-GFCCVEGCSA-N -1 0 400.426 4.181 20 30 HIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435475729 860811944 /nfs/dbraw/zinc/81/19/44/860811944.db2.gz WYXPWPBIPCZCCY-UHFFFAOYSA-N -1 0 411.188 4.406 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCCCC2)s1 ZINC000435475363 860812024 /nfs/dbraw/zinc/81/20/24/860812024.db2.gz SPCXJZGHGDJGMF-UHFFFAOYSA-N -1 0 415.462 4.430 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C(C)C)n(-c3ccccc3)n2)n1 ZINC000435742321 861023753 /nfs/dbraw/zinc/02/37/53/861023753.db2.gz NFRLHPVOKDOPRY-HNNXBMFYSA-N -1 0 408.483 4.119 20 30 HIEDRM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4C#N)c(F)c3)cc12 ZINC000438713195 864192791 /nfs/dbraw/zinc/19/27/91/864192791.db2.gz GBDRBUINBGASRX-UHFFFAOYSA-N -1 0 424.413 4.135 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000438723404 864204222 /nfs/dbraw/zinc/20/42/22/864204222.db2.gz MZWMJMSXUCJWLR-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(Cl)cc2F)cnn1-c1cccc(C#N)c1 ZINC000438838259 864330976 /nfs/dbraw/zinc/33/09/76/864330976.db2.gz SIKDTXRPFLDRLT-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cnn1-c1cccc(C#N)c1 ZINC000438843717 864339009 /nfs/dbraw/zinc/33/90/09/864339009.db2.gz WIOADKBQBMGSBW-UHFFFAOYSA-N -1 0 400.891 4.151 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c(F)cc1F ZINC000440307583 865569907 /nfs/dbraw/zinc/56/99/07/865569907.db2.gz UUKOKIFACKQNCZ-UHFFFAOYSA-N -1 0 415.421 4.441 20 30 HIEDRM CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)cc1 ZINC000442348345 867339850 /nfs/dbraw/zinc/33/98/50/867339850.db2.gz JEKKQNRIZJVCAZ-UHFFFAOYSA-N -1 0 422.462 4.328 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c1OC ZINC000442669640 867604627 /nfs/dbraw/zinc/60/46/27/867604627.db2.gz HNMJPFZRFYBFKS-CQSZACIVSA-N -1 0 409.423 4.226 20 30 HIEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1[O-] ZINC000442976615 867773072 /nfs/dbraw/zinc/77/30/72/867773072.db2.gz MPDWLCKVVQHOJF-JOCHJYFZSA-N -1 0 411.461 4.493 20 30 HIEDRM Cc1cc2c(o1)c(C([O-])=C(C#N)c1nnc3n1CCCCC3)ccc2Br ZINC000443520250 868080568 /nfs/dbraw/zinc/08/05/68/868080568.db2.gz KBVNTQDQSKHJRI-AWEZNQCLSA-N -1 0 413.275 4.312 20 30 HIEDRM N#Cc1cccc(CS(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000443966490 868498045 /nfs/dbraw/zinc/49/80/45/868498045.db2.gz BTWCALLCQXSOBO-HNNXBMFYSA-N -1 0 406.788 4.074 20 30 HIEDRM COc1cccc(-c2nc(=NC(=O)c3cn(CCCC#N)c4ccccc34)s[n-]2)c1 ZINC000444264222 868706356 /nfs/dbraw/zinc/70/63/56/868706356.db2.gz CBWKQBZNPPNKHE-UHFFFAOYSA-N -1 0 417.494 4.146 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)cc1C#N ZINC000444464518 868838653 /nfs/dbraw/zinc/83/86/53/868838653.db2.gz MQXXILQKRLEASJ-UHFFFAOYSA-N -1 0 405.479 4.236 20 30 HIEDRM CC(C)(c1nnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1)c1ccccc1 ZINC000447461866 871353643 /nfs/dbraw/zinc/35/36/43/871353643.db2.gz PBXNXJDKUDRLSF-UHFFFAOYSA-N -1 0 415.478 4.643 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)sc1SCC#N ZINC000447894682 871806490 /nfs/dbraw/zinc/80/64/90/871806490.db2.gz DZXPJYBZDHCWRF-UHFFFAOYSA-N -1 0 411.427 4.026 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3ccc(C(F)(F)F)cc32)cc1Cl ZINC000460580728 873316152 /nfs/dbraw/zinc/31/61/52/873316152.db2.gz KFNRBMZQPXPFFK-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCc2ccc(OCc3ccccc3F)cc2)cc1C#N ZINC000468644985 882779306 /nfs/dbraw/zinc/77/93/06/882779306.db2.gz IYVRTAYWKVJOMB-UHFFFAOYSA-N -1 0 423.469 4.029 20 30 HIEDRM CC(C)[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)c2C1 ZINC000462380867 875493040 /nfs/dbraw/zinc/49/30/40/875493040.db2.gz NGFHIEKLCZWXHA-CQSZACIVSA-N -1 0 403.935 4.373 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1c(F)cccc1F ZINC000468960741 883026960 /nfs/dbraw/zinc/02/69/60/883026960.db2.gz MEBACESLOBXMFF-CQSZACIVSA-N -1 0 421.432 4.468 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)noc1-c1ccc(Cl)s1 ZINC000464405437 877609013 /nfs/dbraw/zinc/60/90/13/877609013.db2.gz LBTVUZVOHXNVSB-UHFFFAOYSA-N -1 0 423.903 4.300 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(F)cc1 ZINC000464413984 877620463 /nfs/dbraw/zinc/62/04/63/877620463.db2.gz YRCGSFRKGCEGNN-OAHLLOKOSA-N -1 0 402.351 4.478 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccccc1OC ZINC000464421112 877630496 /nfs/dbraw/zinc/63/04/96/877630496.db2.gz RVZZVUZRRQWZHN-CQSZACIVSA-N -1 0 414.387 4.347 20 30 HIEDRM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464422191 877632728 /nfs/dbraw/zinc/63/27/28/877632728.db2.gz XQHXOVJXRWDPCK-GFCCVEGCSA-N -1 0 406.314 4.363 20 30 HIEDRM CCc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccccc1Cl ZINC000464423893 877634706 /nfs/dbraw/zinc/63/47/06/877634706.db2.gz FNPDJIGGIFRETB-LBPRGKRZSA-N -1 0 419.794 4.387 20 30 HIEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000467106734 880866591 /nfs/dbraw/zinc/86/65/91/880866591.db2.gz LNASXTAXJUENAU-UHFFFAOYSA-N -1 0 414.490 4.461 20 30 HIEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000467390753 881174455 /nfs/dbraw/zinc/17/44/55/881174455.db2.gz YDRSBGQJUBZTHS-UHFFFAOYSA-N -1 0 414.490 4.461 20 30 HIEDRM N#CC(=C([O-])c1ccc(S(=O)(=O)c2ccccc2)s1)c1nc2ccccc2o1 ZINC000467427781 881218801 /nfs/dbraw/zinc/21/88/01/881218801.db2.gz HRWVMQGBTWYFQY-CQSZACIVSA-N -1 0 408.460 4.212 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(-c2nc(C3CC3)no2)c1 ZINC000504026625 912928921 /nfs/dbraw/zinc/92/89/21/912928921.db2.gz UCISDDZFEUHPFK-UHFFFAOYSA-N -1 0 414.874 4.248 20 30 HIEDRM CC(C)(c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1)c1ccccc1 ZINC000471500178 886202897 /nfs/dbraw/zinc/20/28/97/886202897.db2.gz QBMFTHAIUUQLLQ-UHFFFAOYSA-N -1 0 418.931 4.190 20 30 HIEDRM CCn1nccc1S(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000471932027 886726327 /nfs/dbraw/zinc/72/63/27/886726327.db2.gz VMUOETJZJDFRAJ-KRWDZBQOSA-N -1 0 400.891 4.013 20 30 HIEDRM CCn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)nc1C ZINC000504251880 913117694 /nfs/dbraw/zinc/11/76/94/913117694.db2.gz GJIJNPKMOVFAFZ-UHFFFAOYSA-N -1 0 418.466 4.037 20 30 HIEDRM Cc1sc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1CS(C)(=O)=O ZINC000472399926 887246989 /nfs/dbraw/zinc/24/69/89/887246989.db2.gz YKLCMUAMXSBHKP-OAHLLOKOSA-N -1 0 416.549 4.215 20 30 HIEDRM C=CCCC1(C(=O)Nc2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000474209981 889048874 /nfs/dbraw/zinc/04/88/74/889048874.db2.gz KJVPCCAEIWUYSL-UHFFFAOYSA-N -1 0 418.490 4.320 20 30 HIEDRM CCN(CC)S(=O)(=O)c1ccc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000474421941 889286104 /nfs/dbraw/zinc/28/61/04/889286104.db2.gz NUEHJHVHFRPUBS-KRWDZBQOSA-N -1 0 419.572 4.096 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 ZINC000474440284 889305855 /nfs/dbraw/zinc/30/58/55/889305855.db2.gz XVOCJDJXKHDJQH-QGZVFWFLSA-N -1 0 419.462 4.146 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(S(=O)(=O)C3CCCC3)cc2)n1 ZINC000474451500 889318079 /nfs/dbraw/zinc/31/80/79/889318079.db2.gz YLOVCSXRAYKAGO-QGZVFWFLSA-N -1 0 402.541 4.473 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3oc(C(F)(F)F)nc32)c(Cl)c1 ZINC000476240244 891164020 /nfs/dbraw/zinc/16/40/20/891164020.db2.gz TZCFDZSUVWWFBT-UHFFFAOYSA-N -1 0 401.753 4.172 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1C#N ZINC000476406159 891322245 /nfs/dbraw/zinc/32/22/45/891322245.db2.gz MJKBOCMZMQUMNU-UHFFFAOYSA-N -1 0 412.858 4.474 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)cc3)ncn2)c(Cl)c1 ZINC000476456149 891367545 /nfs/dbraw/zinc/36/75/45/891367545.db2.gz XXETZOQNYAKPCQ-UHFFFAOYSA-N -1 0 405.266 4.123 20 30 HIEDRM COC(=O)c1cc(F)cc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1F ZINC000478056838 893212197 /nfs/dbraw/zinc/21/21/97/893212197.db2.gz GXAMOHQDIXRCOX-UHFFFAOYSA-N -1 0 412.348 4.047 20 30 HIEDRM N#Cc1cccc(COc2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)c2)c1 ZINC000479484998 894807200 /nfs/dbraw/zinc/80/72/00/894807200.db2.gz TVJRCKPNISZTKI-UHFFFAOYSA-N -1 0 423.881 4.463 20 30 HIEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000479900834 895247877 /nfs/dbraw/zinc/24/78/77/895247877.db2.gz LNZIYRIAQQAXAQ-UHFFFAOYSA-N -1 0 413.417 4.171 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1ccccc1C ZINC000480244067 895653621 /nfs/dbraw/zinc/65/36/21/895653621.db2.gz URUTZIDKTLIEDA-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM CC(C)c1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cnn1-c1ccccc1Cl ZINC000480252526 895662738 /nfs/dbraw/zinc/66/27/38/895662738.db2.gz UTKWNIOXUNOACL-UHFFFAOYSA-N -1 0 400.891 4.322 20 30 HIEDRM Cc1c(Br)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000483189768 898849169 /nfs/dbraw/zinc/84/91/69/898849169.db2.gz CKXXOLIAHCHUOH-GFCCVEGCSA-N -1 0 411.215 4.099 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c3c2CCC3)c(C)c1 ZINC000483194797 898851452 /nfs/dbraw/zinc/85/14/52/898851452.db2.gz ADVNMCMVGFBWDA-GOSISDBHSA-N -1 0 407.477 4.411 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)nnn1-c1ccc(OC(F)F)cc1 ZINC000483235078 898878599 /nfs/dbraw/zinc/87/85/99/898878599.db2.gz WNHVYJIVLUCLNR-SFHVURJKSA-N -1 0 419.391 4.215 20 30 HIEDRM N#CC(=C([O-])c1occc1CS(=O)(=O)c1ccccc1)c1nccc2ccccc21 ZINC000483239513 898882689 /nfs/dbraw/zinc/88/26/89/898882689.db2.gz XZJFUIAOIWNTID-FQEVSTJZSA-N -1 0 416.458 4.292 20 30 HIEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000505611484 914316190 /nfs/dbraw/zinc/31/61/90/914316190.db2.gz VAYSVQWRSQJODV-UHFFFAOYSA-N -1 0 409.211 4.030 20 30 HIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4sc(N5CCCC5)nc4s3)nc1-2 ZINC000483623400 899275131 /nfs/dbraw/zinc/27/51/31/899275131.db2.gz LIDAESIKWFHICN-LLVKDONJSA-N -1 0 408.512 4.028 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)ccc1Cl ZINC000485352581 900646020 /nfs/dbraw/zinc/64/60/20/900646020.db2.gz OIBCECYORPRRBF-UHFFFAOYSA-N -1 0 407.623 4.053 20 30 HIEDRM N#Cc1ccc2ncc(/C=C/c3cc(C(=O)[O-])nc(-c4ccc(Cl)cc4)n3)n2c1 ZINC000486197200 901382314 /nfs/dbraw/zinc/38/23/14/901382314.db2.gz PYYRTCTZWBDXCX-VOTSOKGWSA-N -1 0 401.813 4.185 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2cccc(C(F)(F)F)c2)nn1C ZINC000486589221 901729234 /nfs/dbraw/zinc/72/92/34/901729234.db2.gz ZQUBBFMPYDQZSO-UHFFFAOYSA-N -1 0 420.416 4.087 20 30 HIEDRM O=S(=O)([N-][C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cccc(F)c1F ZINC000486618923 901754688 /nfs/dbraw/zinc/75/46/88/901754688.db2.gz MBSYIFXMDHGTHZ-CYBMUJFWSA-N -1 0 417.302 4.148 20 30 HIEDRM CC[C@H](CSc1ccc(C)c(C)c1)NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000505967146 914628532 /nfs/dbraw/zinc/62/85/32/914628532.db2.gz AONQWGCAORJYFT-OAHLLOKOSA-N -1 0 401.557 4.298 20 30 HIEDRM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1Br ZINC000488340695 902775350 /nfs/dbraw/zinc/77/53/50/902775350.db2.gz SQXWWLKFSCOVLE-UHFFFAOYSA-N -1 0 415.696 4.174 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488390848 902801586 /nfs/dbraw/zinc/80/15/86/902801586.db2.gz XQGWJFNQQTXJEF-UHFFFAOYSA-N -1 0 405.435 4.032 20 30 HIEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488559109 902883260 /nfs/dbraw/zinc/88/32/60/902883260.db2.gz HZHCXUFHYNNZQD-UHFFFAOYSA-N -1 0 419.812 4.237 20 30 HIEDRM O=S(=O)([N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cccc(F)c1F ZINC000512422486 921149627 /nfs/dbraw/zinc/14/96/27/921149627.db2.gz SXQWKJKSPJUZDK-CYBMUJFWSA-N -1 0 417.302 4.148 20 30 HIEDRM CC(C)Oc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000495232395 906323487 /nfs/dbraw/zinc/32/34/87/906323487.db2.gz XOXAKJKWZKARBG-ZDUSSCGKSA-N -1 0 402.376 4.264 20 30 HIEDRM Cc1cc(C(C#N)=C([O-])c2coc(-c3ccc(Br)cc3F)n2)nc(C)n1 ZINC000496129250 906612924 /nfs/dbraw/zinc/61/29/24/906612924.db2.gz LPJWPHTZMYFKMI-ZDUSSCGKSA-N -1 0 415.222 4.140 20 30 HIEDRM COc1cc(C#N)ccc1OCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000496915038 906778924 /nfs/dbraw/zinc/77/89/24/906778924.db2.gz LTHLRKOAHNRVQY-UHFFFAOYSA-N -1 0 401.633 4.250 20 30 HIEDRM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2NC1=O ZINC000512946780 921431921 /nfs/dbraw/zinc/43/19/21/921431921.db2.gz CYBXETJXOSRGLC-FZMZJTMJSA-N -1 0 406.492 4.128 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cnn1-c1ccccc1F ZINC000512958819 921437662 /nfs/dbraw/zinc/43/76/62/921437662.db2.gz PBSJCOUHKRWGHS-HNNXBMFYSA-N -1 0 403.442 4.328 20 30 HIEDRM CN(C)c1cc(Br)cc(C(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000499457451 908805656 /nfs/dbraw/zinc/80/56/56/908805656.db2.gz STXCCMXEVMNYLV-AWEZNQCLSA-N -1 0 412.209 4.419 20 30 HIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3csc(S(C)(=O)=O)c3)n2)cc1 ZINC000500452737 909868763 /nfs/dbraw/zinc/86/87/63/909868763.db2.gz SJNPPXMOIHXXQW-CQSZACIVSA-N -1 0 402.522 4.074 20 30 HIEDRM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000513157041 921589357 /nfs/dbraw/zinc/58/93/57/921589357.db2.gz XTSIFUHTHDFGCA-OAHLLOKOSA-N -1 0 421.444 4.207 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000501860550 910890723 /nfs/dbraw/zinc/89/07/23/910890723.db2.gz CIISQDJUOFDVRF-QWRGUYRKSA-N -1 0 409.433 4.322 20 30 HIEDRM COc1ccc(Nc2ncccc2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000502394094 911378001 /nfs/dbraw/zinc/37/80/01/911378001.db2.gz SBUMBMWHAKEPGB-UHFFFAOYSA-N -1 0 414.874 4.160 20 30 HIEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000507081657 915858475 /nfs/dbraw/zinc/85/84/75/915858475.db2.gz AFHZCYIIYJDYCB-INIZCTEOSA-N -1 0 417.687 4.008 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncc(Cc2cccc(F)c2)s1 ZINC000507269346 916033696 /nfs/dbraw/zinc/03/36/96/916033696.db2.gz HRMIFJAXADKBBQ-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c2ccccc12 ZINC000508124762 916941788 /nfs/dbraw/zinc/94/17/88/916941788.db2.gz JYYCUQRXPIDSFZ-UHFFFAOYSA-N -1 0 416.462 4.019 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)cc1C#N ZINC000508308803 917117149 /nfs/dbraw/zinc/11/71/49/917117149.db2.gz FZGZUFSSSYYREX-UHFFFAOYSA-N -1 0 415.478 4.187 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000509258423 917948662 /nfs/dbraw/zinc/94/86/62/917948662.db2.gz ZPJPPLGRPAJDQI-UHFFFAOYSA-N -1 0 400.891 4.477 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000509384652 918049981 /nfs/dbraw/zinc/04/99/81/918049981.db2.gz GHOCYZBSLSKCTG-UHFFFAOYSA-N -1 0 409.311 4.100 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2)OCCO3)cc1 ZINC000509576063 918224481 /nfs/dbraw/zinc/22/44/81/918224481.db2.gz CPDNTFWYFMKSGS-UHFFFAOYSA-N -1 0 424.503 4.281 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000509613914 918262871 /nfs/dbraw/zinc/26/28/71/918262871.db2.gz QHINFPPBOFBFOS-UHFFFAOYSA-N -1 0 416.405 4.438 20 30 HIEDRM COc1cc(C)ccc1Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000509615424 918264489 /nfs/dbraw/zinc/26/44/89/918264489.db2.gz UYOLQSZIUGHPJW-UHFFFAOYSA-N -1 0 413.430 4.003 20 30 HIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCc2cn3cccc(C)c3n2)n1 ZINC000513673260 921995747 /nfs/dbraw/zinc/99/57/47/921995747.db2.gz ZIQDJBXOBMYNCH-SFHVURJKSA-N -1 0 402.479 4.477 20 30 HIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)c1cccc(C#N)c1C ZINC000513790143 922118565 /nfs/dbraw/zinc/11/85/65/922118565.db2.gz SNUKECIEBZASSV-UHFFFAOYSA-N -1 0 423.469 4.367 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c1C ZINC000515619786 923221891 /nfs/dbraw/zinc/22/18/91/923221891.db2.gz NXEMDBODPIYLMX-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000516240440 923623827 /nfs/dbraw/zinc/62/38/27/923623827.db2.gz QINCECFSCDAQDZ-UHFFFAOYSA-N -1 0 400.378 4.045 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(Br)ccc3o2)n1 ZINC000516795738 923889762 /nfs/dbraw/zinc/88/97/62/923889762.db2.gz XGFTUQOJECPDKE-NSHDSACASA-N -1 0 419.256 4.319 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2sc(-c3ccc(C)o3)nc2C)n1 ZINC000516796173 923890210 /nfs/dbraw/zinc/89/02/10/923890210.db2.gz OUPMLIITIXUUJL-NSHDSACASA-N -1 0 401.469 4.143 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)cc1C#N ZINC000517105536 924001062 /nfs/dbraw/zinc/00/10/62/924001062.db2.gz YOKDQXGPLCKFGS-UHFFFAOYSA-N -1 0 414.487 4.128 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cn(-c4ccc(C)cc4)nn3)n2)cc1 ZINC000517800919 926842250 /nfs/dbraw/zinc/84/22/50/926842250.db2.gz PDDSCYPTKUOXMC-SFHVURJKSA-N -1 0 415.478 4.198 20 30 HIEDRM CNc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] ZINC000518516418 927321636 /nfs/dbraw/zinc/32/16/36/927321636.db2.gz BIAUADCGQFPUKP-HNNXBMFYSA-N -1 0 403.423 4.122 20 30 HIEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cn2)cc1 ZINC000518852649 927557747 /nfs/dbraw/zinc/55/77/47/927557747.db2.gz HKXRCBXYLLBOJT-KRWDZBQOSA-N -1 0 421.407 4.175 20 30 HIEDRM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000520186845 928375240 /nfs/dbraw/zinc/37/52/40/928375240.db2.gz ZIFPKVNAFUDXJO-CYBMUJFWSA-N -1 0 404.513 4.142 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cc1C#N ZINC000520519326 928615777 /nfs/dbraw/zinc/61/57/77/928615777.db2.gz MIRFBWWCTOZOFQ-LBPRGKRZSA-N -1 0 405.882 4.021 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1nc(-c2ccccc2)cs1 ZINC000520911978 928870218 /nfs/dbraw/zinc/87/02/18/928870218.db2.gz UQEJJFDZMJZJOR-KRWDZBQOSA-N -1 0 415.434 4.394 20 30 HIEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1OC ZINC000521328357 929143147 /nfs/dbraw/zinc/14/31/47/929143147.db2.gz OLFCJAARWKWPRM-GFCCVEGCSA-N -1 0 410.492 4.038 20 30 HIEDRM Cc1nnc(SCc2c3ccccc3oc2C([O-])=C(C#N)c2ccncn2)s1 ZINC000525858313 930469436 /nfs/dbraw/zinc/46/94/36/930469436.db2.gz YIBCZDWHRDOUHL-ZDUSSCGKSA-N -1 0 407.480 4.165 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCCc3ccccc32)ccc1Cl ZINC000527503384 930670726 /nfs/dbraw/zinc/67/07/26/930670726.db2.gz AKWBMNJCXDQCJK-LJQANCHMSA-N -1 0 412.902 4.135 20 30 HIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(OCc3cccc(C#N)c3)c(Cl)c2)s1 ZINC000532843149 931653988 /nfs/dbraw/zinc/65/39/88/931653988.db2.gz COMVCWPAMXLOKE-UHFFFAOYSA-N -1 0 419.915 4.356 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2c3c(sc2-n2cccc2)CCC3)n1 ZINC000533930094 932106065 /nfs/dbraw/zinc/10/60/65/932106065.db2.gz UKKQBSLJPWWVLA-ZDUSSCGKSA-N -1 0 411.508 4.151 20 30 HIEDRM CC(C)(C)c1[n-]n(CC(=O)NCC2(c3ccccc3)CCCCC2)c(=O)c1CCC#N ZINC000534632639 932610482 /nfs/dbraw/zinc/61/04/82/932610482.db2.gz IEMNXENORKQLRK-UHFFFAOYSA-N -1 0 422.573 4.361 20 30 HIEDRM CCS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000535684737 933340732 /nfs/dbraw/zinc/34/07/32/933340732.db2.gz AJCYFQNQJWVGTO-GOSISDBHSA-N -1 0 410.520 4.402 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000535737623 933371296 /nfs/dbraw/zinc/37/12/96/933371296.db2.gz MHESEKOAMPBBCF-UHFFFAOYSA-N -1 0 400.460 4.012 20 30 HIEDRM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1C#N ZINC000538367666 938604874 /nfs/dbraw/zinc/60/48/74/938604874.db2.gz MNFSNIZUMINHLB-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM C=CCCC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000540540315 939297007 /nfs/dbraw/zinc/29/70/07/939297007.db2.gz XKLYLIRGJZQFTE-QGZVFWFLSA-N -1 0 416.543 4.279 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000540778064 939368992 /nfs/dbraw/zinc/36/89/92/939368992.db2.gz BEJVSKGXOQMXNG-CQSZACIVSA-N -1 0 400.269 4.384 20 30 HIEDRM N#CC1(c2ccc(C(=O)Nc3ccccc3[N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000540783072 939370887 /nfs/dbraw/zinc/37/08/87/939370887.db2.gz PXKBKNFSUAHWKJ-UHFFFAOYSA-N -1 0 417.490 4.295 20 30 HIEDRM N#CC(=C([O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000541026653 939434311 /nfs/dbraw/zinc/43/43/11/939434311.db2.gz WCZUDOMYYMFLTC-LBPRGKRZSA-N -1 0 416.365 4.205 20 30 HIEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)n2)c(Cl)c1 ZINC000541124319 939469296 /nfs/dbraw/zinc/46/92/96/939469296.db2.gz SBWWBXGNFVWBKY-UHFFFAOYSA-N -1 0 408.870 4.351 20 30 HIEDRM CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC000541124924 939470026 /nfs/dbraw/zinc/47/00/26/939470026.db2.gz PGRFTIPQYXZBJI-UHFFFAOYSA-N -1 0 402.369 4.093 20 30 HIEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000541306276 939490278 /nfs/dbraw/zinc/49/02/78/939490278.db2.gz KCMVNVGECATFPR-AWEZNQCLSA-N -1 0 406.577 4.351 20 30 HIEDRM O=C(N[C@H](c1ccccc1OC(F)F)C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000541747350 939619750 /nfs/dbraw/zinc/61/97/50/939619750.db2.gz GZUDXELAAROIKA-CYBMUJFWSA-N -1 0 415.236 4.444 20 30 HIEDRM N#C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(OCc2ccccc2)cc1 ZINC000542595680 939847290 /nfs/dbraw/zinc/84/72/90/939847290.db2.gz MRTZIZKKRUUGGX-SFHVURJKSA-N -1 0 412.367 4.383 20 30 HIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)nc1 ZINC000542951625 939884433 /nfs/dbraw/zinc/88/44/33/939884433.db2.gz HTUOXWJYXIRUGL-NGOBRMJYSA-N -1 0 420.538 4.454 20 30 HIEDRM CCCCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)cc1 ZINC000544619531 940491783 /nfs/dbraw/zinc/49/17/83/940491783.db2.gz MZEGLUKBOXYWGH-UHFFFAOYSA-N -1 0 424.320 4.086 20 30 HIEDRM C[C@@](C#N)(NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C1CCCCC1 ZINC000563975611 945334144 /nfs/dbraw/zinc/33/41/44/945334144.db2.gz WERAWMDASLXXQP-FQEVSTJZSA-N -1 0 417.556 4.141 20 30 HIEDRM COC(=O)c1cncc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000546155666 940716519 /nfs/dbraw/zinc/71/65/19/940716519.db2.gz PCIQOCHNGFNESY-MRJKMQNQSA-N -1 0 421.522 4.283 20 30 HIEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000548282987 941093563 /nfs/dbraw/zinc/09/35/63/941093563.db2.gz KVUCJXIHJHLHAF-UHFFFAOYSA-N -1 0 416.462 4.403 20 30 HIEDRM CCOc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nnc4n3CCCCC4)s2)cc1 ZINC000550859070 941375575 /nfs/dbraw/zinc/37/55/75/941375575.db2.gz JFDWFLTVVJEBEF-QGZVFWFLSA-N -1 0 421.526 4.325 20 30 HIEDRM N#CC(=C([O-])c1coc(C2CCOCC2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000555075317 942378003 /nfs/dbraw/zinc/37/80/03/942378003.db2.gz VVHOMWLDILMDFI-MRXNPFEDSA-N -1 0 404.451 4.054 20 30 HIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000556303152 942836640 /nfs/dbraw/zinc/83/66/40/942836640.db2.gz CRLTYMKVMCTPNS-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)cc1C#N ZINC000557405878 943107997 /nfs/dbraw/zinc/10/79/97/943107997.db2.gz PCXYRNJZJKWTOK-QGZVFWFLSA-N -1 0 403.454 4.083 20 30 HIEDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000557938325 943334755 /nfs/dbraw/zinc/33/47/55/943334755.db2.gz IPQRFKPAKFPTEA-UHFFFAOYSA-N -1 0 424.478 4.368 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1Cc1ccccc1 ZINC000559989873 944115490 /nfs/dbraw/zinc/11/54/90/944115490.db2.gz VKXZPDADOMKYRU-HNNXBMFYSA-N -1 0 405.408 4.246 20 30 HIEDRM Cc1nn(C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)c12 ZINC000561902390 944847338 /nfs/dbraw/zinc/84/73/38/944847338.db2.gz QFVFZSZQEMOHCN-INIZCTEOSA-N -1 0 414.494 4.163 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccc(F)cc1F ZINC000562292241 945053909 /nfs/dbraw/zinc/05/39/09/945053909.db2.gz MVJLSGHDVKESRH-CYBMUJFWSA-N -1 0 406.314 4.363 20 30 HIEDRM Cc1nn(-c2ccc(Cl)c(Cl)c2)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1C ZINC000571749882 947775682 /nfs/dbraw/zinc/77/56/82/947775682.db2.gz UCYBTQNZYYNPGV-UHFFFAOYSA-N -1 0 411.270 4.061 20 30 HIEDRM COc1ccc(C(=O)CSc2ccc(C#N)c(C(F)(F)F)c2)c2occ([O-])c21 ZINC000574724781 948514385 /nfs/dbraw/zinc/51/43/85/948514385.db2.gz GAMPCINLQZKWRI-UHFFFAOYSA-N -1 0 407.369 4.136 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(OCC)cc3)cc2[n-]c1=S ZINC000010978142 845735958 /nfs/dbraw/zinc/73/59/58/845735958.db2.gz AFKLHPHWMGGAGN-CQSZACIVSA-N -1 0 409.511 4.135 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(OCC)cc3)cc2[n-]c1=S ZINC000010978144 845736256 /nfs/dbraw/zinc/73/62/56/845736256.db2.gz AFKLHPHWMGGAGN-AWEZNQCLSA-N -1 0 409.511 4.135 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000016128697 846127877 /nfs/dbraw/zinc/12/78/77/846127877.db2.gz ORALZWDAJVHNIG-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCSc4ccccc43)cc2[n-]c1=S ZINC000018134168 846300554 /nfs/dbraw/zinc/30/05/54/846300554.db2.gz SXSWKNSUYIKKRO-INIZCTEOSA-N -1 0 409.536 4.212 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2)nn1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548306 848229914 /nfs/dbraw/zinc/22/99/14/848229914.db2.gz SHENJBJFTHJFGV-CYBMUJFWSA-N -1 0 413.384 4.386 20 30 HIEDRM CC(=O)Nc1nc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1 ZINC000041548403 848229940 /nfs/dbraw/zinc/22/99/40/848229940.db2.gz NJKHQZPTZISGML-VIFPVBQESA-N -1 0 410.402 4.220 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(C(F)(F)F)cn1 ZINC000041553494 848230898 /nfs/dbraw/zinc/23/08/98/848230898.db2.gz GJEUODPGRRZRKK-INIZCTEOSA-N -1 0 414.362 4.404 20 30 HIEDRM N#CCSCC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000436666842 861888122 /nfs/dbraw/zinc/88/81/22/861888122.db2.gz RKOORNHKLLNRGG-UHFFFAOYSA-N -1 0 410.282 4.147 20 30 HIEDRM CC(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000051656203 849499227 /nfs/dbraw/zinc/49/92/27/849499227.db2.gz DOBFPFASZVHYLZ-OAHLLOKOSA-N -1 0 417.437 4.104 20 30 HIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1-n1cccc1 ZINC000051677701 849503311 /nfs/dbraw/zinc/50/33/11/849503311.db2.gz RAGMDGUWEXMZCG-GFCCVEGCSA-N -1 0 415.400 4.329 20 30 HIEDRM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c(C)c1 ZINC000055591858 850066900 /nfs/dbraw/zinc/06/69/00/850066900.db2.gz KKUOACRKACJBJO-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000055648350 850093844 /nfs/dbraw/zinc/09/38/44/850093844.db2.gz WVSKREBLEGRHDJ-AWEZNQCLSA-N -1 0 417.918 4.027 20 30 HIEDRM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000064715097 851964803 /nfs/dbraw/zinc/96/48/03/851964803.db2.gz RQRJZQGIFLSNCK-SUMNFNSASA-N -1 0 416.474 4.457 20 30 HIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2oc3c(c2C)c(C)ccc3C)cc1 ZINC000065763116 852247506 /nfs/dbraw/zinc/24/75/06/852247506.db2.gz WPLNOQTVPYWHNH-UHFFFAOYSA-N -1 0 400.456 4.010 20 30 HIEDRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2oc3c(c2C)c(C)ccc3C)c1 ZINC000065764278 852247514 /nfs/dbraw/zinc/24/75/14/852247514.db2.gz CKONGOBEQUUODN-UHFFFAOYSA-N -1 0 403.456 4.069 20 30 HIEDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Oc2ncccc2C#N)cc1C ZINC000108360524 852843003 /nfs/dbraw/zinc/84/30/03/852843003.db2.gz HYQUNIJOJKXNEQ-UHFFFAOYSA-N -1 0 424.438 4.071 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)oc2c1c(C)ccc2C ZINC000149438925 853625532 /nfs/dbraw/zinc/62/55/32/853625532.db2.gz RLKCUIXTDNFVII-INIZCTEOSA-N -1 0 412.453 4.359 20 30 HIEDRM CC(=O)Nc1cc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)ccc1C ZINC000236585707 853900674 /nfs/dbraw/zinc/90/06/74/853900674.db2.gz WOYQZFCTCXDYHM-UHFFFAOYSA-N -1 0 412.445 4.304 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)sc1Br ZINC000322254529 855392244 /nfs/dbraw/zinc/39/22/44/855392244.db2.gz LRHGQLYNQROSJI-UHFFFAOYSA-N -1 0 415.334 4.302 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)cc2)sc1Cc1cccc(Cl)c1 ZINC000409514792 855518310 /nfs/dbraw/zinc/51/83/10/855518310.db2.gz BYPGEMUIVZWZDC-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1C#N ZINC000437392818 862723239 /nfs/dbraw/zinc/72/32/39/862723239.db2.gz PBIOKSILRMCYCJ-YEORSEQZSA-N -1 0 407.417 4.076 20 30 HIEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c(C(F)(F)F)c1 ZINC000410337788 855936152 /nfs/dbraw/zinc/93/61/52/855936152.db2.gz PURSKULXAIXABD-UHFFFAOYSA-N -1 0 424.322 4.405 20 30 HIEDRM CCn1cc(-c2nn(C)cc2C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000426545656 856342733 /nfs/dbraw/zinc/34/27/33/856342733.db2.gz QUIJBHGQMPJKAE-ZDUSSCGKSA-N -1 0 410.890 4.057 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)cc1F ZINC000427248941 856735436 /nfs/dbraw/zinc/73/54/36/856735436.db2.gz ITAUVNHXZOUCKQ-UHFFFAOYSA-N -1 0 418.837 4.079 20 30 HIEDRM Cc1ccc(SCC(F)(F)F)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427261781 856742185 /nfs/dbraw/zinc/74/21/85/856742185.db2.gz AVWNIWWADJTOJS-UHFFFAOYSA-N -1 0 401.435 4.025 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)cn2)cc1F ZINC000427772095 856948655 /nfs/dbraw/zinc/94/86/55/856948655.db2.gz TUCTTWRECPGFIY-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)cc1C#N ZINC000427791811 856956999 /nfs/dbraw/zinc/95/69/99/856956999.db2.gz YCOYVGSKXPCWFB-UHFFFAOYSA-N -1 0 414.393 4.099 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)cc1C#N ZINC000428629764 857283090 /nfs/dbraw/zinc/28/30/90/857283090.db2.gz OFQQUZJKXCCQQG-UHFFFAOYSA-N -1 0 412.858 4.474 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c(C)s1 ZINC000431339355 858571817 /nfs/dbraw/zinc/57/18/17/858571817.db2.gz SPKZTWGTHQODCK-UHFFFAOYSA-N -1 0 422.582 4.181 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cnn1-c1ccc(C)cc1 ZINC000431892693 858859520 /nfs/dbraw/zinc/85/95/20/858859520.db2.gz WZFQTUMLNQYAFD-UHFFFAOYSA-N -1 0 416.453 4.084 20 30 HIEDRM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n[nH]1 ZINC000434971421 860581512 /nfs/dbraw/zinc/58/15/12/860581512.db2.gz JNXNUAUHDWDQRB-UHFFFAOYSA-N -1 0 406.389 4.076 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc1C#N ZINC000435139652 860660988 /nfs/dbraw/zinc/66/09/88/860660988.db2.gz PKWWWBZXPVDZKA-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435144883 860663294 /nfs/dbraw/zinc/66/32/94/860663294.db2.gz BCZCBMYKLVPRDO-UHFFFAOYSA-N -1 0 412.284 4.083 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n(-c2ccc(F)cc2)n1 ZINC000435195362 860690919 /nfs/dbraw/zinc/69/09/19/860690919.db2.gz FVCIYNKMELUGSG-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3ccc(F)cc32)n1 ZINC000435454749 860804871 /nfs/dbraw/zinc/80/48/71/860804871.db2.gz AXYOMYVUQJPANC-OAHLLOKOSA-N -1 0 409.442 4.375 20 30 HIEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435503561 860825518 /nfs/dbraw/zinc/82/55/18/860825518.db2.gz DEUIQMILBGYZPI-UHFFFAOYSA-N -1 0 409.492 4.180 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)c(C(F)(F)F)c2)s1 ZINC000435505908 860826531 /nfs/dbraw/zinc/82/65/31/860826531.db2.gz RDXPOBGWYSBLFM-UHFFFAOYSA-N -1 0 412.361 4.083 20 30 HIEDRM CC(C)(C)c1[n-]n(CCOc2cc(F)cc(Br)c2)c(=O)c1CCC#N ZINC000438327974 863805750 /nfs/dbraw/zinc/80/57/50/863805750.db2.gz YGMDRMYFBKZJES-UHFFFAOYSA-N -1 0 410.287 4.323 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000438766513 864260536 /nfs/dbraw/zinc/26/05/36/864260536.db2.gz XKLPFSBJVPSWFX-UHFFFAOYSA-N -1 0 412.284 4.083 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438808696 864299536 /nfs/dbraw/zinc/29/95/36/864299536.db2.gz KBVMIIIICARWHZ-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2cccc(Br)c2)c2c1CCC2)c1ccccn1 ZINC000442658551 867597469 /nfs/dbraw/zinc/59/74/69/867597469.db2.gz PFVMJFQMLODAFU-MRXNPFEDSA-N -1 0 407.271 4.009 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc([N+](=O)[O-])c1OC ZINC000442669636 867603981 /nfs/dbraw/zinc/60/39/81/867603981.db2.gz HNMJPFZRFYBFKS-AWEZNQCLSA-N -1 0 409.423 4.226 20 30 HIEDRM CC(C)(C)C(=O)NCc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000442858910 867700355 /nfs/dbraw/zinc/70/03/55/867700355.db2.gz TYUKBSIZBZXGHF-GOSISDBHSA-N -1 0 418.522 4.357 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3c(F)cccc3Cl)s2)cc1 ZINC000444043393 868580556 /nfs/dbraw/zinc/58/05/56/868580556.db2.gz FYUVJKYGDSAUQB-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM N#CCCCn1cc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)c2ccccc21 ZINC000444189104 868656856 /nfs/dbraw/zinc/65/68/56/868656856.db2.gz UUGVHXSFBBQJNX-UHFFFAOYSA-N -1 0 401.495 4.062 20 30 HIEDRM COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000468346839 882282908 /nfs/dbraw/zinc/28/29/08/882282908.db2.gz GBENSMJICMBFRM-LLVKDONJSA-N -1 0 415.298 4.080 20 30 HIEDRM COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000468346840 882283395 /nfs/dbraw/zinc/28/33/95/882283395.db2.gz GBENSMJICMBFRM-NSHDSACASA-N -1 0 415.298 4.080 20 30 HIEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3F)nc2)c(F)c1 ZINC000447266476 871147546 /nfs/dbraw/zinc/14/75/46/871147546.db2.gz WUVVDDFBSPCJJI-UHFFFAOYSA-N -1 0 423.347 4.103 20 30 HIEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447520559 871387928 /nfs/dbraw/zinc/38/79/28/871387928.db2.gz BRDPGZIDQKUVQZ-RBUKOAKNSA-N -1 0 406.873 4.143 20 30 HIEDRM CCOc1cc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c([N+](=O)[O-])cc1OCC ZINC000448134212 872008530 /nfs/dbraw/zinc/00/85/30/872008530.db2.gz HYRXQBYWGHORQM-UHFFFAOYSA-N -1 0 422.397 4.171 20 30 HIEDRM O=S(=O)([N-]c1ccc(F)cc1OC(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC000460829172 873714583 /nfs/dbraw/zinc/71/45/83/873714583.db2.gz MUZXTDVBIZRVFY-UHFFFAOYSA-N -1 0 403.275 4.386 20 30 HIEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)n1 ZINC000468919907 882980633 /nfs/dbraw/zinc/98/06/33/882980633.db2.gz ILPGZQCBUHSZJJ-UHFFFAOYSA-N -1 0 402.520 4.096 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCc2ccccc2)cc1C ZINC000463507901 876569112 /nfs/dbraw/zinc/56/91/12/876569112.db2.gz AYZDYMGMBZSXEK-UHFFFAOYSA-N -1 0 408.479 4.255 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000463522093 876590217 /nfs/dbraw/zinc/59/02/17/876590217.db2.gz HHEIXEOCKADINV-UHFFFAOYSA-N -1 0 422.466 4.012 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccnc1Oc1cccc(C)c1C ZINC000463526640 876596603 /nfs/dbraw/zinc/59/66/03/876596603.db2.gz GUAMHXQKXNFZQK-UHFFFAOYSA-N -1 0 409.467 4.172 20 30 HIEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)ccc1OC(C)C ZINC000463791393 876911024 /nfs/dbraw/zinc/91/10/24/876911024.db2.gz YCHRQFKKWGWMDN-UHFFFAOYSA-N -1 0 414.405 4.174 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(COc2ccccc2)c1C ZINC000463795108 876913493 /nfs/dbraw/zinc/91/34/93/876913493.db2.gz CHHAOKHWNQGRCH-UHFFFAOYSA-N -1 0 408.479 4.255 20 30 HIEDRM C[C@@H]1CCCN(c2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)ccn2)C1 ZINC000464179538 877349553 /nfs/dbraw/zinc/34/95/53/877349553.db2.gz ATOABTBMYBOWDP-QAPCUYQASA-N -1 0 403.511 4.326 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc2ccccc2n1C1CCCCC1 ZINC000464414192 877619931 /nfs/dbraw/zinc/61/99/31/877619931.db2.gz HRGSNKKGVGWOHJ-UHFFFAOYSA-N -1 0 410.499 4.223 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nnn1-c1ccccc1Cl ZINC000464463096 877685308 /nfs/dbraw/zinc/68/53/08/877685308.db2.gz BADARIOELODDSA-LBPRGKRZSA-N -1 0 405.767 4.133 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000467335197 881084630 /nfs/dbraw/zinc/08/46/30/881084630.db2.gz JWYHMOLXUOBWJS-GFCCVEGCSA-N -1 0 413.528 4.455 20 30 HIEDRM Cn1cnc2cc(C([O-])=C(C#N)c3nc(C45CC6CC(CC(C6)C4)C5)cs3)cnc21 ZINC000469139272 883235375 /nfs/dbraw/zinc/23/53/75/883235375.db2.gz KPWWBGRXVPKWDX-ULYJJNKVSA-N -1 0 417.538 4.383 20 30 HIEDRM Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000471113673 885648119 /nfs/dbraw/zinc/64/81/19/885648119.db2.gz BZAFCJPOAMUYNQ-UHFFFAOYSA-N -1 0 423.450 4.155 20 30 HIEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(COC2CCCCC2)c1 ZINC000471123818 885661315 /nfs/dbraw/zinc/66/13/15/885661315.db2.gz HUVSFWFLCKMJJB-UHFFFAOYSA-N -1 0 415.471 4.117 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCCC#N)sc1Cl ZINC000473486189 888208400 /nfs/dbraw/zinc/20/84/00/888208400.db2.gz BUKSSUQYRXTYIK-UHFFFAOYSA-N -1 0 423.947 4.094 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(I)c2)n1 ZINC000474425369 889288640 /nfs/dbraw/zinc/28/86/40/889288640.db2.gz ICWFYGFQXFYRMK-SECBINFHSA-N -1 0 402.282 4.423 20 30 HIEDRM CC(C)c1csc(C(C#N)=C([O-])c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n1 ZINC000474435009 889299911 /nfs/dbraw/zinc/29/99/11/889299911.db2.gz AOIALABCGBNBSZ-LBPRGKRZSA-N -1 0 423.395 4.495 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c([N+](=O)[O-])cc1OC(F)F ZINC000474439213 889302911 /nfs/dbraw/zinc/30/29/11/889302911.db2.gz TXKPRFTUYJLXBH-JTQLQIEISA-N -1 0 411.386 4.275 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1cccc2cccnc21 ZINC000474445177 889311366 /nfs/dbraw/zinc/31/13/66/889311366.db2.gz KUPCNTCSOWYAQD-OAHLLOKOSA-N -1 0 402.483 4.194 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)cc1C#N ZINC000475803764 890738975 /nfs/dbraw/zinc/73/89/75/890738975.db2.gz AYJHVOVLGBECCL-UHFFFAOYSA-N -1 0 421.444 4.419 20 30 HIEDRM CC(C)Oc1ccc(Br)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475805993 890741993 /nfs/dbraw/zinc/74/19/93/890741993.db2.gz AYFZTUYELWKIQO-UHFFFAOYSA-N -1 0 409.305 4.103 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000476189541 891120985 /nfs/dbraw/zinc/12/09/85/891120985.db2.gz JYTHREJDGDMWBU-AWEZNQCLSA-N -1 0 410.751 4.072 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1C#N ZINC000476738214 891705080 /nfs/dbraw/zinc/70/50/80/891705080.db2.gz UMDIVNPMMHLCAQ-UHFFFAOYSA-N -1 0 403.507 4.333 20 30 HIEDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1C ZINC000479138043 894408074 /nfs/dbraw/zinc/40/80/74/894408074.db2.gz SJFLFZXAVBINRT-UHFFFAOYSA-N -1 0 421.309 4.468 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000479522997 894833144 /nfs/dbraw/zinc/83/31/44/894833144.db2.gz OUCWHVMGMIHTCS-UHFFFAOYSA-N -1 0 410.842 4.216 20 30 HIEDRM Cc1nc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[n-]s2)ccc1C#N ZINC000505265593 913922892 /nfs/dbraw/zinc/92/28/92/913922892.db2.gz RFNFZOPWRMENHY-UHFFFAOYSA-N -1 0 413.462 4.247 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)ccc1Cl ZINC000505294408 913952781 /nfs/dbraw/zinc/95/27/81/913952781.db2.gz USDSKMZDZXYSRE-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000480205746 895606675 /nfs/dbraw/zinc/60/66/75/895606675.db2.gz KADNYFHBXUDZPV-UHFFFAOYSA-N -1 0 402.549 4.076 20 30 HIEDRM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000480969648 896308327 /nfs/dbraw/zinc/30/83/27/896308327.db2.gz IPGQIPJNIWTJLR-QGZVFWFLSA-N -1 0 402.483 4.329 20 30 HIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)c1 ZINC000481866702 897235613 /nfs/dbraw/zinc/23/56/13/897235613.db2.gz SSALDEUPKFUJQQ-UHFFFAOYSA-N -1 0 400.268 4.382 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c1C ZINC000482592937 898193062 /nfs/dbraw/zinc/19/30/62/898193062.db2.gz PMVOFSPCGIEJCL-LBPRGKRZSA-N -1 0 400.341 4.147 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc([N+](=O)[O-])c1C ZINC000482592469 898193192 /nfs/dbraw/zinc/19/31/92/898193192.db2.gz QXGRQGLVJOFLSM-INIZCTEOSA-N -1 0 418.434 4.397 20 30 HIEDRM N#CC(=C([O-])c1ccc(S(=O)(=O)c2ccccc2)s1)c1cnc2ccccc2n1 ZINC000483198297 898853570 /nfs/dbraw/zinc/85/35/70/898853570.db2.gz LIWHZGHIHXJSPJ-OAHLLOKOSA-N -1 0 419.487 4.014 20 30 HIEDRM N#CC(=C([O-])c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1cnc2ccccc2n1 ZINC000483209591 898860904 /nfs/dbraw/zinc/86/09/04/898860904.db2.gz JZWOVCGHHYFOCK-OAHLLOKOSA-N -1 0 415.403 4.072 20 30 HIEDRM CSc1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)n1-c1ccc(F)cc1 ZINC000483216223 898864055 /nfs/dbraw/zinc/86/40/55/898864055.db2.gz JXNKGDOWAYAERI-OAHLLOKOSA-N -1 0 403.442 4.167 20 30 HIEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)c3cnc4ccccc4n3)c3c2CCCC3)cc1 ZINC000483219338 898865201 /nfs/dbraw/zinc/86/52/01/898865201.db2.gz KPVNJGGXVVSYHW-LJQANCHMSA-N -1 0 407.477 4.493 20 30 HIEDRM N#CC(=C([O-])c1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cnc2ccccc2n1 ZINC000483229567 898873072 /nfs/dbraw/zinc/87/30/72/898873072.db2.gz BOQLLZSRYCNGIJ-OAHLLOKOSA-N -1 0 407.355 4.324 20 30 HIEDRM CC(C)c1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1-c1ccccc1Cl ZINC000483234251 898878885 /nfs/dbraw/zinc/87/88/85/898878885.db2.gz JUOOEOXNVFGDLQ-AWEZNQCLSA-N -1 0 416.872 4.477 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc([N+](=O)[O-])c3OC)n2)cc1 ZINC000483479549 899125513 /nfs/dbraw/zinc/12/55/13/899125513.db2.gz VEJQVRJVAQAJQT-HNNXBMFYSA-N -1 0 409.423 4.226 20 30 HIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4sc(N5CCCC5)nc4s3)nc1-2 ZINC000483623401 899274695 /nfs/dbraw/zinc/27/46/95/899274695.db2.gz LIDAESIKWFHICN-NSHDSACASA-N -1 0 408.512 4.028 20 30 HIEDRM CCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(C(=O)OCC)cs1 ZINC000505723721 914403995 /nfs/dbraw/zinc/40/39/95/914403995.db2.gz UFCNONIYKGGWAT-ZDUSSCGKSA-N -1 0 419.484 4.220 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)ccc1Cl ZINC000484603649 900063758 /nfs/dbraw/zinc/06/37/58/900063758.db2.gz UTPQWKPSJDPCLR-UHFFFAOYSA-N -1 0 422.087 4.134 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000485401432 900699117 /nfs/dbraw/zinc/69/91/17/900699117.db2.gz UGDXUHFEALMKSR-UHFFFAOYSA-N -1 0 415.696 4.174 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000489911764 903668763 /nfs/dbraw/zinc/66/87/63/903668763.db2.gz OIETZUKLGHSPTC-OAHLLOKOSA-N -1 0 424.386 4.020 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)cc1C#N ZINC000512581390 921248151 /nfs/dbraw/zinc/24/81/51/921248151.db2.gz HKBAVFDPBNVNDL-FQEVSTJZSA-N -1 0 401.491 4.169 20 30 HIEDRM COC(=O)c1cc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)cn1C ZINC000496228475 906634420 /nfs/dbraw/zinc/63/44/20/906634420.db2.gz ZFJHDPXNGWJVIP-XYUGOERHSA-N -1 0 423.538 4.226 20 30 HIEDRM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000512742128 921300244 /nfs/dbraw/zinc/30/02/44/921300244.db2.gz HNCIYYOQRFHCRM-LBPRGKRZSA-N -1 0 424.931 4.179 20 30 HIEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1C(C)C ZINC000499276253 908655866 /nfs/dbraw/zinc/65/58/66/908655866.db2.gz YDHFRTDOCHFVDN-UHFFFAOYSA-N -1 0 414.453 4.354 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500368948 909817195 /nfs/dbraw/zinc/81/71/95/909817195.db2.gz VZQUAYJYWPUMKK-UHFFFAOYSA-N -1 0 413.268 4.048 20 30 HIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000500482149 909884687 /nfs/dbraw/zinc/88/46/87/909884687.db2.gz KQHCEMNOZXGXFV-UHFFFAOYSA-N -1 0 405.195 4.140 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000501860551 910890497 /nfs/dbraw/zinc/89/04/97/910890497.db2.gz CIISQDJUOFDVRF-WDEREUQCSA-N -1 0 409.433 4.322 20 30 HIEDRM CC(C)Oc1ccc(-c2nc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cs2)cc1 ZINC000502752999 911775556 /nfs/dbraw/zinc/77/55/56/911775556.db2.gz IOHAYWOVVMDNHD-KRWDZBQOSA-N -1 0 421.526 4.405 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)c(Cl)c1 ZINC000502776218 911799838 /nfs/dbraw/zinc/79/98/38/911799838.db2.gz GAAATMKZGVKGIM-UHFFFAOYSA-N -1 0 417.918 4.029 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)c(Cl)c1 ZINC000502812492 911829556 /nfs/dbraw/zinc/82/95/56/911829556.db2.gz LSWMYEDAWGCLBW-UHFFFAOYSA-N -1 0 417.899 4.326 20 30 HIEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506562768 915210693 /nfs/dbraw/zinc/21/06/93/915210693.db2.gz PLZCWJFHZXKFQX-UHFFFAOYSA-N -1 0 418.824 4.075 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1F ZINC000513419993 921789425 /nfs/dbraw/zinc/78/94/25/921789425.db2.gz GZOPGBSXGGFJIK-UHFFFAOYSA-N -1 0 409.442 4.059 20 30 HIEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1F ZINC000507007245 915818897 /nfs/dbraw/zinc/81/88/97/915818897.db2.gz IXHWQLLAORKJMU-UHFFFAOYSA-N -1 0 403.822 4.339 20 30 HIEDRM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000507268503 916031731 /nfs/dbraw/zinc/03/17/31/916031731.db2.gz CWWWDFOXXNYQMF-UHFFFAOYSA-N -1 0 414.918 4.381 20 30 HIEDRM CC(C)n1nc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000507310861 916073205 /nfs/dbraw/zinc/07/32/05/916073205.db2.gz DMTOLAUJVSSFCT-UHFFFAOYSA-N -1 0 400.891 4.457 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1Br ZINC000508110764 916925581 /nfs/dbraw/zinc/92/55/81/916925581.db2.gz GHMIKWIPZIQKIT-UHFFFAOYSA-N -1 0 421.194 4.020 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509075335 917819835 /nfs/dbraw/zinc/81/98/35/917819835.db2.gz PRYJCKIUPQVPPQ-UHFFFAOYSA-N -1 0 415.696 4.174 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc(OCc2ccccc2)cc1 ZINC000509239229 917935021 /nfs/dbraw/zinc/93/50/21/917935021.db2.gz YCSBZGZOQHETCF-UHFFFAOYSA-N -1 0 422.510 4.250 20 30 HIEDRM N#Cc1cnn(C2CCCC2)c1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000509261605 917951543 /nfs/dbraw/zinc/95/15/43/917951543.db2.gz CJDMXMSUCGZEJM-UHFFFAOYSA-N -1 0 418.828 4.343 20 30 HIEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000509386769 918052092 /nfs/dbraw/zinc/05/20/92/918052092.db2.gz SDSWAXQOWMVQDF-UHFFFAOYSA-N -1 0 403.660 4.108 20 30 HIEDRM Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000509395430 918061668 /nfs/dbraw/zinc/06/16/68/918061668.db2.gz AZYRKZSYLBNYRX-UHFFFAOYSA-N -1 0 402.291 4.368 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c(Cl)c1 ZINC000509423899 918084310 /nfs/dbraw/zinc/08/43/10/918084310.db2.gz OUFYYXYQVPIFQK-UHFFFAOYSA-N -1 0 411.295 4.184 20 30 HIEDRM C=CCOc1c(Br)cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1OC ZINC000509693390 918324804 /nfs/dbraw/zinc/32/48/04/918324804.db2.gz XUWLIHZYBGBRNH-XQRVVYSFSA-N -1 0 415.243 4.158 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(Cc3ccc(C)cc3)n2)n1 ZINC000509851814 918454976 /nfs/dbraw/zinc/45/49/76/918454976.db2.gz IIESRSZBYMOPSS-AWEZNQCLSA-N -1 0 411.508 4.166 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1C#N ZINC000509992832 918579414 /nfs/dbraw/zinc/57/94/14/918579414.db2.gz PZTIGARLOTXOQF-XJKSGUPXSA-N -1 0 421.444 4.466 20 30 HIEDRM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccn(-c2cccc(F)c2C#N)n1 ZINC000510137366 918693805 /nfs/dbraw/zinc/69/38/05/918693805.db2.gz VEJFNCVRPXEUEQ-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM N#CC(=C([O-])c1ccc(OCC(F)(F)C(F)F)nc1)c1nc2ccccc2s1 ZINC000511720761 920386965 /nfs/dbraw/zinc/38/69/65/920386965.db2.gz CDNDCAYRZUMRHS-NSHDSACASA-N -1 0 409.364 4.461 20 30 HIEDRM N#CC(=C([O-])c1ccc(I)c(F)c1)c1nc2ccccc2o1 ZINC000511763214 920444734 /nfs/dbraw/zinc/44/47/34/920444734.db2.gz QOJWBPBUBNIWSO-SNVBAGLBSA-N -1 0 406.154 4.062 20 30 HIEDRM N#CC(=C([O-])c1cn(-c2ccccc2C(F)(F)F)nn1)c1nc2ccccc2s1 ZINC000513665302 921988181 /nfs/dbraw/zinc/98/81/81/921988181.db2.gz CXQHWWSJHOOTJI-NSHDSACASA-N -1 0 413.384 4.386 20 30 HIEDRM COCc1nc2sc(C([O-])=C(C#N)c3nc4ccccc4s3)c(C)c2c(OC)n1 ZINC000513686886 922008478 /nfs/dbraw/zinc/00/84/78/922008478.db2.gz HVPMKOWXEZNSNJ-LLVKDONJSA-N -1 0 424.507 4.255 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(Cl)c3Cl)s2)o1 ZINC000514627928 922731057 /nfs/dbraw/zinc/73/10/57/922731057.db2.gz HTJSLFGWEOQVQO-UHFFFAOYSA-N -1 0 414.295 4.306 20 30 HIEDRM CC(C)n1ncc2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cnc21 ZINC000516269894 923638595 /nfs/dbraw/zinc/63/85/95/923638595.db2.gz CHQGWKBOYHXGSE-SFHVURJKSA-N -1 0 412.478 4.497 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nnn1-c1cccc(Cl)c1 ZINC000516332315 923670016 /nfs/dbraw/zinc/67/00/16/923670016.db2.gz QFPVSVHPFUOOPD-INIZCTEOSA-N -1 0 420.885 4.238 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccn(-c4ccccc4)n3)n2)cc1 ZINC000516714002 923858595 /nfs/dbraw/zinc/85/85/95/923858595.db2.gz NBDNPNDRNJSBLA-SFHVURJKSA-N -1 0 400.463 4.494 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccn(-c4ccccc4)n3)n2)cc1 ZINC000516714000 923858627 /nfs/dbraw/zinc/85/86/27/923858627.db2.gz NBDNPNDRNJSBLA-GOSISDBHSA-N -1 0 400.463 4.494 20 30 HIEDRM CNc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1[N+](=O)[O-] ZINC000516713606 923858724 /nfs/dbraw/zinc/85/87/24/923858724.db2.gz BEUWMSAGFSPZDZ-OAHLLOKOSA-N -1 0 408.439 4.259 20 30 HIEDRM N#CC(=C([O-])c1cnn2c1nccc2-c1ccccc1)c1nc(-c2ccncc2)cs1 ZINC000517891165 926878470 /nfs/dbraw/zinc/87/84/70/926878470.db2.gz IFAFJMPIOXOIGG-QGZVFWFLSA-N -1 0 422.473 4.405 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)cc1C#N ZINC000518066339 927004275 /nfs/dbraw/zinc/00/42/75/927004275.db2.gz NKZDGBHKQUNIQU-UHFFFAOYSA-N -1 0 414.487 4.128 20 30 HIEDRM N#CC(=C([O-])c1ccccc1CS(=O)(=O)c1ccccc1)c1nc2ccccc2o1 ZINC000518720336 927454014 /nfs/dbraw/zinc/45/40/14/927454014.db2.gz XLYBQLBDWQCOOW-IBGZPJMESA-N -1 0 416.458 4.292 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1C ZINC000520801771 928824920 /nfs/dbraw/zinc/82/49/20/928824920.db2.gz KKLURWKPHPQAML-GFCCVEGCSA-N -1 0 405.501 4.264 20 30 HIEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000521013629 928930916 /nfs/dbraw/zinc/93/09/16/928930916.db2.gz UGDRBYCXMJQOPG-UHFFFAOYSA-N -1 0 413.386 4.199 20 30 HIEDRM Cc1ccc(-n2cc(C([O-])=C(C#N)c3nc(-c4c(F)cccc4F)cs3)nn2)cc1 ZINC000521260433 929087795 /nfs/dbraw/zinc/08/77/95/929087795.db2.gz CXFNBNXVSIKUNE-AWEZNQCLSA-N -1 0 421.432 4.468 20 30 HIEDRM N#Cc1ccccc1COc1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000524680860 929793591 /nfs/dbraw/zinc/79/35/91/929793591.db2.gz BIEUNAGFNQUSOP-UHFFFAOYSA-N -1 0 418.503 4.391 20 30 HIEDRM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])ccc21 ZINC000524966944 929932146 /nfs/dbraw/zinc/93/21/46/929932146.db2.gz ACGXMXCWIXRVCN-UHFFFAOYSA-N -1 0 420.450 4.395 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cc1C#N ZINC000531225238 930974116 /nfs/dbraw/zinc/97/41/16/930974116.db2.gz NRQMNSMQJKDBPD-OAHLLOKOSA-N -1 0 418.316 4.121 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(Br)cc(Cl)c2O)ccc1Cl ZINC000534169603 932313006 /nfs/dbraw/zinc/31/30/06/932313006.db2.gz UNYUQKDARCXUTG-UHFFFAOYSA-N -1 0 422.087 4.134 20 30 HIEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1-c1ccccc1 ZINC000535393990 933112049 /nfs/dbraw/zinc/11/20/49/933112049.db2.gz FPEGWTUOPZPJHK-UHFFFAOYSA-N -1 0 406.389 4.076 20 30 HIEDRM COc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1Cl ZINC000539467386 938864701 /nfs/dbraw/zinc/86/47/01/938864701.db2.gz PPUUCRWKXMDORJ-UHFFFAOYSA-N -1 0 415.696 4.092 20 30 HIEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1OC ZINC000776688445 939105572 /nfs/dbraw/zinc/10/55/72/939105572.db2.gz ODOCWGMEFCBQPM-JUIXODQZSA-N -1 0 419.836 4.008 20 30 HIEDRM Cc1nn(-c2ccccc2)c2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccc12 ZINC000541198545 939485299 /nfs/dbraw/zinc/48/52/99/939485299.db2.gz ODOCARVBUWESAD-GOSISDBHSA-N -1 0 406.449 4.106 20 30 HIEDRM COc1ccc(C(=O)c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000542130118 939723393 /nfs/dbraw/zinc/72/33/93/939723393.db2.gz YSRQJHIQSIKAAE-FQEVSTJZSA-N -1 0 409.445 4.303 20 30 HIEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000542237647 939770056 /nfs/dbraw/zinc/77/00/56/939770056.db2.gz MABMULONKFIKJB-UHFFFAOYSA-N -1 0 422.915 4.252 20 30 HIEDRM CN(C(=O)c1cc(Br)c([O-])c(Br)c1)c1cccc(C#N)c1 ZINC000542816377 939861395 /nfs/dbraw/zinc/86/13/95/939861395.db2.gz BBGMGOWRZMTWDL-UHFFFAOYSA-N -1 0 410.065 4.065 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1C#N ZINC000543918516 940245352 /nfs/dbraw/zinc/24/53/52/940245352.db2.gz CIMVMJTXJHXHPR-AWEZNQCLSA-N -1 0 414.490 4.410 20 30 HIEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 ZINC000545449391 940570431 /nfs/dbraw/zinc/57/04/31/940570431.db2.gz SLDDAQDXMDWKTL-GOSISDBHSA-N -1 0 421.478 4.189 20 30 HIEDRM Cc1cc(-c2cc(C([O-])=C(C#N)c3ccncn3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000546858876 940896804 /nfs/dbraw/zinc/89/68/04/940896804.db2.gz PBNXSPJQVLXXSW-KRWDZBQOSA-N -1 0 400.442 4.169 20 30 HIEDRM CCOC(=O)c1cnc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000546864152 940897643 /nfs/dbraw/zinc/89/76/43/940897643.db2.gz XNXLKJCGFMTDRY-SFHVURJKSA-N -1 0 405.479 4.489 20 30 HIEDRM C=CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1 ZINC000548278725 941093432 /nfs/dbraw/zinc/09/34/32/941093432.db2.gz PIDXEBWKCBOQHA-GOSISDBHSA-N -1 0 413.524 4.242 20 30 HIEDRM CC(C)c1noc(Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)cc2)n1 ZINC000549551150 941199056 /nfs/dbraw/zinc/19/90/56/941199056.db2.gz QYXDBMVRQCZMMB-UHFFFAOYSA-N -1 0 416.890 4.110 20 30 HIEDRM Cn1cnc2c1nccc2C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000558189999 943423524 /nfs/dbraw/zinc/42/35/24/943423524.db2.gz CBEHGPGPMPPTCN-ULYJJNKVSA-N -1 0 417.538 4.383 20 30 HIEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ncccc3OCCCC#N)n2)c1 ZINC000559464838 943965743 /nfs/dbraw/zinc/96/57/43/943965743.db2.gz GJWWFSKQYVWIDX-UHFFFAOYSA-N -1 0 405.458 4.031 20 30 HIEDRM N#CC(=C([O-])c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000560217902 944199026 /nfs/dbraw/zinc/19/90/26/944199026.db2.gz NHNFKUWMGOGYAB-CYBMUJFWSA-N -1 0 407.405 4.363 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)cc1Cl ZINC000573671478 948272115 /nfs/dbraw/zinc/27/21/15/948272115.db2.gz INFVBHKDNXNTPO-UHFFFAOYSA-N -1 0 407.225 4.310 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2C2CCCC2)c(Cl)c1 ZINC000575051913 948583084 /nfs/dbraw/zinc/58/30/84/948583084.db2.gz LPWQICPEEUVBTR-UHFFFAOYSA-N -1 0 400.891 4.477 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(F)(F)F)cc1Br ZINC000241810003 569312220 /nfs/dbraw/zinc/31/22/20/569312220.db2.gz SCJRGERZHJGBFC-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436013455 861304197 /nfs/dbraw/zinc/30/41/97/861304197.db2.gz BZRBAIWUICZHTB-OAHLLOKOSA-N -1 0 410.524 4.339 20 30 HIEDRM COc1cc(/C=C/C(=O)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)cc2c1OCCO2 ZINC000007910838 845446289 /nfs/dbraw/zinc/44/62/89/845446289.db2.gz AJMXADIMFJTKBR-FARCUNLSSA-N -1 0 406.390 4.321 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nc4ccccc4n3CCC)cc2[n-]c1=S ZINC000010652730 845686944 /nfs/dbraw/zinc/68/69/44/845686944.db2.gz IAMDHKTZRLWROG-UHFFFAOYSA-N -1 0 419.510 4.257 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nc4c(cccc4C)s3)cc2[n-]c1=S ZINC000024761923 846864072 /nfs/dbraw/zinc/86/40/72/846864072.db2.gz OZAMPIGQPCFOBB-UHFFFAOYSA-N -1 0 408.508 4.042 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(SC)cc3)cc2[n-]c1=S ZINC000031693840 847931700 /nfs/dbraw/zinc/93/17/00/847931700.db2.gz WIDXHFVPZYJYKF-ZDUSSCGKSA-N -1 0 411.552 4.084 20 30 HIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(SC)cc3)cc2[n-]c1=S ZINC000031693837 847931715 /nfs/dbraw/zinc/93/17/15/847931715.db2.gz WIDXHFVPZYJYKF-CYBMUJFWSA-N -1 0 411.552 4.084 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1C#N ZINC000031907291 847963829 /nfs/dbraw/zinc/96/38/29/847963829.db2.gz LVHDUVPCJHRMSH-GFCCVEGCSA-N -1 0 410.524 4.010 20 30 HIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1OCc1cscn1 ZINC000041540147 848228180 /nfs/dbraw/zinc/22/81/80/848228180.db2.gz RTSXYHDNIIOJNP-HNNXBMFYSA-N -1 0 405.435 4.362 20 30 HIEDRM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3cc(C)nc(C)n3)s2)cc1OC ZINC000041562086 848234670 /nfs/dbraw/zinc/23/46/70/848234670.db2.gz RPEJNKCTEHYDLO-HNNXBMFYSA-N -1 0 408.483 4.033 20 30 HIEDRM COc1ccc2cc([C@H](C)C(=O)[N-]S(=O)(=O)Cc3ccc(C#N)cc3)ccc2c1 ZINC000048508393 849236123 /nfs/dbraw/zinc/23/61/23/849236123.db2.gz OEVVMYKRDFEAJN-HNNXBMFYSA-N -1 0 408.479 4.310 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1F ZINC000048829115 849273035 /nfs/dbraw/zinc/27/30/35/849273035.db2.gz RRHSMNUUEOFJRM-ZDUSSCGKSA-N -1 0 406.314 4.363 20 30 HIEDRM CC(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1 ZINC000051656204 849499216 /nfs/dbraw/zinc/49/92/16/849499216.db2.gz DOBFPFASZVHYLZ-HNNXBMFYSA-N -1 0 417.437 4.104 20 30 HIEDRM N#CC(=C([O-])c1cnn(-c2ccc(Br)cc2)c1)c1nc2ccccc2o1 ZINC000054736267 849916851 /nfs/dbraw/zinc/91/68/51/849916851.db2.gz MCJVIQLOVIPPML-HNNXBMFYSA-N -1 0 407.227 4.266 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(C(F)(F)F)c1 ZINC000055586203 850064786 /nfs/dbraw/zinc/06/47/86/850064786.db2.gz QPTDXSRDAPAPOS-UHFFFAOYSA-N -1 0 407.373 4.396 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)ccc1OCC(F)(F)F ZINC000055595619 850071590 /nfs/dbraw/zinc/07/15/90/850071590.db2.gz DXTMQHWLDSNLAL-UHFFFAOYSA-N -1 0 408.760 4.093 20 30 HIEDRM Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055630140 850083509 /nfs/dbraw/zinc/08/35/09/850083509.db2.gz WPRHOAAJFMRSSX-UHFFFAOYSA-N -1 0 419.222 4.449 20 30 HIEDRM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000055648345 850093211 /nfs/dbraw/zinc/09/32/11/850093211.db2.gz URZXWHXDCSTSEX-CQSZACIVSA-N -1 0 417.918 4.027 20 30 HIEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000436913032 862091490 /nfs/dbraw/zinc/09/14/90/862091490.db2.gz YIXAADJUBSLGHS-UHFFFAOYSA-N -1 0 405.385 4.154 20 30 HIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000057122609 850553977 /nfs/dbraw/zinc/55/39/77/850553977.db2.gz WCZJGDJVVAIVNE-UHFFFAOYSA-N -1 0 409.389 4.037 20 30 HIEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436963954 862143545 /nfs/dbraw/zinc/14/35/45/862143545.db2.gz QDMJQRBWNOURSK-UHFFFAOYSA-N -1 0 403.394 4.312 20 30 HIEDRM COc1ccc(C2(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)CCCC2)cc1 ZINC000060768746 851209301 /nfs/dbraw/zinc/20/93/01/851209301.db2.gz JLFXXKDMVBIBSK-UHFFFAOYSA-N -1 0 418.471 4.069 20 30 HIEDRM Cc1ccc(-c2ncc(C(=O)[N-]S(=O)(=O)Cc3ccc(C#N)cc3)s2)c(C)c1 ZINC000061067202 851286179 /nfs/dbraw/zinc/28/61/79/851286179.db2.gz NHZFIUXIUUAAQH-UHFFFAOYSA-N -1 0 411.508 4.133 20 30 HIEDRM Cc1c2ccc(C(F)(F)F)nc2sc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000064102137 851827912 /nfs/dbraw/zinc/82/79/12/851827912.db2.gz NRPJYLJTDVUNTM-GFCCVEGCSA-N -1 0 419.432 4.432 20 30 HIEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCc3cc(OC)ccc32)cc1 ZINC000065763459 852248066 /nfs/dbraw/zinc/24/80/66/852248066.db2.gz HXXSLRBIEKNXSR-MRXNPFEDSA-N -1 0 403.500 4.249 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C=Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000072032264 852474130 /nfs/dbraw/zinc/47/41/30/852474130.db2.gz MLDSLMOQVYOLNW-FBFPYJBRSA-N -1 0 404.447 4.437 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3cnc4ccsc4c3)s2)cc1 ZINC000437168927 862363482 /nfs/dbraw/zinc/36/34/82/862363482.db2.gz FMDNSHKBLDITOH-UHFFFAOYSA-N -1 0 412.521 4.016 20 30 HIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1cc(Cl)ccc1Br ZINC000097465405 852613749 /nfs/dbraw/zinc/61/37/49/852613749.db2.gz YYHMVUMGMBMGOZ-CMDGGOBGSA-N -1 0 400.681 4.408 20 30 HIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C#N)ccc3[N+](=O)[O-])cc2)s1 ZINC000302219614 854552549 /nfs/dbraw/zinc/55/25/49/854552549.db2.gz RGUZYORIYSIPGY-UHFFFAOYSA-N -1 0 415.452 4.430 20 30 HIEDRM Cc1nc([N-]S(=O)(=O)c2cccc(C#N)c2)sc1Cc1ccccc1Cl ZINC000409513746 855516977 /nfs/dbraw/zinc/51/69/77/855516977.db2.gz OCFNTCPJGPSSNG-UHFFFAOYSA-N -1 0 403.916 4.368 20 30 HIEDRM N#CC(=C([O-])c1ncccc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000437393842 862728272 /nfs/dbraw/zinc/72/82/72/862728272.db2.gz YWHVGAGFSWGFLU-SNVBAGLBSA-N -1 0 410.302 4.258 20 30 HIEDRM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1C ZINC000426168443 856150744 /nfs/dbraw/zinc/15/07/44/856150744.db2.gz REYJTCYBBSNFFI-OAHLLOKOSA-N -1 0 409.467 4.040 20 30 HIEDRM N#CC(=C([O-])c1ccc(Sc2ccccc2Cl)nn1)c1nnc2n1CCCCC2 ZINC000426181664 856159781 /nfs/dbraw/zinc/15/97/81/856159781.db2.gz CQLRNHZDNVLVQP-ZDUSSCGKSA-N -1 0 424.917 4.089 20 30 HIEDRM N#Cc1ccccc1COc1cccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426748687 856452714 /nfs/dbraw/zinc/45/27/14/856452714.db2.gz ZHQFTGBPEWXYGN-QFIPXVFZSA-N -1 0 408.404 4.331 20 30 HIEDRM Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)s2)cc1Cl ZINC000427751079 856937254 /nfs/dbraw/zinc/93/72/54/856937254.db2.gz ZXRDHYOESVDELQ-UHFFFAOYSA-N -1 0 418.931 4.072 20 30 HIEDRM N#CCCn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1-c1ccccc1 ZINC000429114725 857516902 /nfs/dbraw/zinc/51/69/02/857516902.db2.gz MPJWWKOFCMUWEP-MRXNPFEDSA-N -1 0 409.371 4.368 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2ncc3n2CCCC3)ccc1Cl ZINC000430369271 858136802 /nfs/dbraw/zinc/13/68/02/858136802.db2.gz IPDMCFPUXOTNPU-UHFFFAOYSA-N -1 0 412.902 4.212 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nnn1-c1cccc2cccnc21 ZINC000430616464 858236830 /nfs/dbraw/zinc/23/68/30/858236830.db2.gz FNOLTWXFNYBJHL-OAHLLOKOSA-N -1 0 416.510 4.368 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)n[nH]2)cc1OC ZINC000430617027 858236985 /nfs/dbraw/zinc/23/69/85/858236985.db2.gz JLOCYMYYMKOQIT-CYBMUJFWSA-N -1 0 410.499 4.338 20 30 HIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ccncc3Br)c2)c1 ZINC000431668542 858725378 /nfs/dbraw/zinc/72/53/78/858725378.db2.gz ZCODTOMHCLGYSW-UHFFFAOYSA-N -1 0 421.250 4.194 20 30 HIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000432197914 859043325 /nfs/dbraw/zinc/04/33/25/859043325.db2.gz HFPAUNGJDBIXLL-UHFFFAOYSA-N -1 0 407.373 4.396 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccc(Br)cc1 ZINC000432212853 859049975 /nfs/dbraw/zinc/04/99/75/859049975.db2.gz AVGSALLDNHEPEL-OAHLLOKOSA-N -1 0 420.270 4.310 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)cc1Br ZINC000432950335 859443516 /nfs/dbraw/zinc/44/35/16/859443516.db2.gz SCFVVHJMJPDHJI-UHFFFAOYSA-N -1 0 420.313 4.245 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)cc1Br ZINC000432956501 859447465 /nfs/dbraw/zinc/44/74/65/859447465.db2.gz ZYDPYMINQKQMHM-UHFFFAOYSA-N -1 0 420.313 4.245 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2cccc(OCc3ccccc3)c2)cc1C#N ZINC000434382789 860325158 /nfs/dbraw/zinc/32/51/58/860325158.db2.gz HURDMDNHKLHQNL-HNNXBMFYSA-N -1 0 419.506 4.451 20 30 HIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1C#N ZINC000435128334 860653742 /nfs/dbraw/zinc/65/37/42/860653742.db2.gz CVQDZDQTCACDBL-UHFFFAOYSA-N -1 0 402.369 4.304 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1ccccc1F ZINC000435129334 860654172 /nfs/dbraw/zinc/65/41/72/860654172.db2.gz JHGUANQOUUWTLY-UHFFFAOYSA-N -1 0 424.379 4.011 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c1Br ZINC000435141575 860662812 /nfs/dbraw/zinc/66/28/12/860662812.db2.gz AFNATFDYNQEQSU-UHFFFAOYSA-N -1 0 417.231 4.031 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1Br ZINC000435145004 860664674 /nfs/dbraw/zinc/66/46/74/860664674.db2.gz BKKXWMXGKRQVIM-UHFFFAOYSA-N -1 0 408.321 4.252 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)s1 ZINC000435423028 860795668 /nfs/dbraw/zinc/79/56/68/860795668.db2.gz OMNMUTIELPGLQU-LBPRGKRZSA-N -1 0 414.352 4.220 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)s1 ZINC000435427090 860796515 /nfs/dbraw/zinc/79/65/15/860796515.db2.gz LBGSJWFKJZEBSS-GFCCVEGCSA-N -1 0 414.352 4.220 20 30 HIEDRM N#CCCSc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435487341 860817821 /nfs/dbraw/zinc/81/78/21/860817821.db2.gz QTAAZLJWSJZYPV-UHFFFAOYSA-N -1 0 417.459 4.445 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)s1 ZINC000435503416 860825510 /nfs/dbraw/zinc/82/55/10/860825510.db2.gz VHUYKAGSSHEKPW-VWLOTQADSA-N -1 0 408.570 4.002 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2cc(F)ccc2Cl)cnn1-c1cccc(C#N)c1 ZINC000438809518 864299983 /nfs/dbraw/zinc/29/99/83/864299983.db2.gz IDLNLJLJOWYPOR-UHFFFAOYSA-N -1 0 418.881 4.290 20 30 HIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)c1C#N ZINC000440827993 865943886 /nfs/dbraw/zinc/94/38/86/865943886.db2.gz RYFAZEAEUHQENI-UHFFFAOYSA-N -1 0 413.886 4.295 20 30 HIEDRM CCn1ncc2cc(C([O-])=C(C#N)c3nc(-c4ccc(OC)cc4)cs3)c(C)nc21 ZINC000442506231 867486132 /nfs/dbraw/zinc/48/61/32/867486132.db2.gz IIBHPJZRQUHIGP-GOSISDBHSA-N -1 0 417.494 4.382 20 30 HIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3nc(C(C)C)n(-c4ccccc4F)n3)nc21 ZINC000442739576 867658072 /nfs/dbraw/zinc/65/80/72/867658072.db2.gz QJQLYRUDMFNWQZ-CQSZACIVSA-N -1 0 402.433 4.205 20 30 HIEDRM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc2O1 ZINC000442834350 867691286 /nfs/dbraw/zinc/69/12/86/867691286.db2.gz JZWKVWWMSOMGMS-KRWDZBQOSA-N -1 0 412.389 4.275 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)ccc1C#N ZINC000443525973 868083906 /nfs/dbraw/zinc/08/39/06/868083906.db2.gz APNPJDIHZAZWKL-UHFFFAOYSA-N -1 0 402.369 4.138 20 30 HIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OCCC(F)(F)F ZINC000443534696 868093786 /nfs/dbraw/zinc/09/37/86/868093786.db2.gz ZPIZYHGMNUYVSS-UHFFFAOYSA-N -1 0 402.369 4.138 20 30 HIEDRM Cn1cc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000444460142 868837055 /nfs/dbraw/zinc/83/70/55/868837055.db2.gz YENUISDUCZCTKI-CQSZACIVSA-N -1 0 408.874 4.077 20 30 HIEDRM COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000468358093 882298904 /nfs/dbraw/zinc/29/89/04/882298904.db2.gz HWSMYJIZQRVCTL-LLVKDONJSA-N -1 0 415.298 4.080 20 30 HIEDRM N#CCCN(CC1CC1)C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000447102331 871003186 /nfs/dbraw/zinc/00/31/86/871003186.db2.gz RYKKKGMTJALNOU-UHFFFAOYSA-N -1 0 412.799 4.016 20 30 HIEDRM Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1Oc1ccncc1 ZINC000447254193 871131911 /nfs/dbraw/zinc/13/19/11/871131911.db2.gz AYDUDBSHRUDDQO-UHFFFAOYSA-N -1 0 401.394 4.133 20 30 HIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1OC(F)(F)F ZINC000461329524 874340391 /nfs/dbraw/zinc/34/03/91/874340391.db2.gz AVODSJDRJDVEKK-UHFFFAOYSA-N -1 0 416.324 4.338 20 30 HIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000462102630 875211238 /nfs/dbraw/zinc/21/12/38/875211238.db2.gz OJBXDOATKHXUMG-UHFFFAOYSA-N -1 0 401.385 4.339 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Sc2nc(C)cs2)cc1 ZINC000463533444 876612312 /nfs/dbraw/zinc/61/23/12/876612312.db2.gz QISCRJCDNVQIIJ-UHFFFAOYSA-N -1 0 417.537 4.284 20 30 HIEDRM CC(C)c1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccccc1F ZINC000464408728 877612856 /nfs/dbraw/zinc/61/28/56/877612856.db2.gz RTGBDNLZSCZXGJ-CYBMUJFWSA-N -1 0 417.366 4.434 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2cc(Cl)cc(Cl)c2)[nH]n1 ZINC000464411181 877616307 /nfs/dbraw/zinc/61/63/07/877616307.db2.gz LJQHLUQLMFSDTA-UHFFFAOYSA-N -1 0 423.281 4.065 20 30 HIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(SCc2ccccc2)cn1 ZINC000464413630 877620284 /nfs/dbraw/zinc/62/02/84/877620284.db2.gz ZOUJLODRIKEAFO-UHFFFAOYSA-N -1 0 411.508 4.055 20 30 HIEDRM CN(C(=O)c1ccco1)c1ccccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464472084 877694601 /nfs/dbraw/zinc/69/46/01/877694601.db2.gz CSPXBXJCQLRKLZ-OAHLLOKOSA-N -1 0 413.355 4.460 20 30 HIEDRM CS(=O)(=O)c1csc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000503387897 912369592 /nfs/dbraw/zinc/36/95/92/912369592.db2.gz PGMZMCPDTKXXIY-SNVBAGLBSA-N -1 0 424.475 4.043 20 30 HIEDRM N#CC(=C([O-])c1nnn(-c2cccc(F)c2)c1C(F)(F)F)c1nc2ccccc2o1 ZINC000503400342 912380828 /nfs/dbraw/zinc/38/08/28/912380828.db2.gz AQWKEYYSYCYQHQ-LBPRGKRZSA-N -1 0 415.306 4.056 20 30 HIEDRM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000503530211 912583478 /nfs/dbraw/zinc/58/34/78/912583478.db2.gz BWXSIPPEIQHXSC-CQSZACIVSA-N -1 0 411.433 4.280 20 30 HIEDRM C=CCCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000469893650 884085982 /nfs/dbraw/zinc/08/59/82/884085982.db2.gz QKUZEIOOUBQGIC-UHFFFAOYSA-N -1 0 413.326 4.442 20 30 HIEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000470455717 884851456 /nfs/dbraw/zinc/85/14/56/884851456.db2.gz NLXZJVFADMOVDY-UHFFFAOYSA-N -1 0 402.369 4.306 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000471926265 886716486 /nfs/dbraw/zinc/71/64/86/886716486.db2.gz BCFCIROFTADOGJ-UHFFFAOYSA-N -1 0 421.194 4.020 20 30 HIEDRM N#Cc1ccc(Br)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000471944321 886745235 /nfs/dbraw/zinc/74/52/35/886745235.db2.gz QXPAMZQHTFIEKX-UHFFFAOYSA-N -1 0 406.088 4.428 20 30 HIEDRM Cc1ccsc1-c1nc(=NC(=O)c2occc2COc2cccc(C#N)c2)s[n-]1 ZINC000472269237 887085239 /nfs/dbraw/zinc/08/52/39/887085239.db2.gz MWLZROBFSZFKCW-UHFFFAOYSA-N -1 0 422.491 4.293 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)sc1Cl ZINC000473405894 888123587 /nfs/dbraw/zinc/12/35/87/888123587.db2.gz KXYNSVURANKJIF-UHFFFAOYSA-N -1 0 410.826 4.324 20 30 HIEDRM CCc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(OC)cc1 ZINC000473486373 888207965 /nfs/dbraw/zinc/20/79/65/888207965.db2.gz CSNGCUCWHWZNDQ-INIZCTEOSA-N -1 0 414.387 4.347 20 30 HIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000473774279 888575301 /nfs/dbraw/zinc/57/53/01/888575301.db2.gz RVINKIGULFDLEM-UHFFFAOYSA-N -1 0 418.471 4.019 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)nnn1-c1cccc2cccnc21 ZINC000474445175 889310862 /nfs/dbraw/zinc/31/08/62/889310862.db2.gz KUPCNTCSOWYAQD-HNNXBMFYSA-N -1 0 402.483 4.194 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nn1-c1ccc(F)cc1F ZINC000504589172 913348848 /nfs/dbraw/zinc/34/88/48/913348848.db2.gz IFRPABKRNLAITQ-HNNXBMFYSA-N -1 0 421.432 4.468 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cn(CC(F)(F)F)nc3C)n2)cc1 ZINC000477876541 892938183 /nfs/dbraw/zinc/93/81/83/892938183.db2.gz MIDYNWINWXUACB-CQSZACIVSA-N -1 0 420.416 4.376 20 30 HIEDRM CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479088194 894355543 /nfs/dbraw/zinc/35/55/43/894355543.db2.gz CWTCLXCIZKPPAV-UHFFFAOYSA-N -1 0 403.813 4.097 20 30 HIEDRM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000479160028 894428436 /nfs/dbraw/zinc/42/84/36/894428436.db2.gz QYDKQZDBRDFYPK-UHFFFAOYSA-N -1 0 415.298 4.081 20 30 HIEDRM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(-c2nc(C3CC3)no2)c1 ZINC000479514633 894827585 /nfs/dbraw/zinc/82/75/85/894827585.db2.gz KPECXWQJYYZCCH-UHFFFAOYSA-N -1 0 414.874 4.248 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cccc1OCC(F)(F)F ZINC000479523814 894833833 /nfs/dbraw/zinc/83/38/33/894833833.db2.gz GKXOVMMMXVVIKT-UHFFFAOYSA-N -1 0 404.797 4.262 20 30 HIEDRM CC(C)c1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000505287944 913946114 /nfs/dbraw/zinc/94/61/14/913946114.db2.gz QSHZUOSWWKNQKU-UHFFFAOYSA-N -1 0 414.918 4.381 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cnn1-c1cccc(Cl)c1 ZINC000480219207 895623085 /nfs/dbraw/zinc/62/30/85/895623085.db2.gz CTSCGJWCUMDLHR-UHFFFAOYSA-N -1 0 422.844 4.039 20 30 HIEDRM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cnn1-c1cccc(Cl)c1 ZINC000480246033 895656146 /nfs/dbraw/zinc/65/61/46/895656146.db2.gz JYDUSRLESUDGIH-UHFFFAOYSA-N -1 0 400.891 4.069 20 30 HIEDRM CN(C)C(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)cc1 ZINC000481879520 897252752 /nfs/dbraw/zinc/25/27/52/897252752.db2.gz PJLMKSRLLKGPRG-CQSZACIVSA-N -1 0 411.433 4.280 20 30 HIEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000481981813 897375272 /nfs/dbraw/zinc/37/52/72/897375272.db2.gz PGQJRGTWFZYPOJ-GFCCVEGCSA-N -1 0 405.501 4.264 20 30 HIEDRM C=C(C)CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000482231497 897711526 /nfs/dbraw/zinc/71/15/26/897711526.db2.gz LLWUGTDTVSRHOK-UHFFFAOYSA-N -1 0 412.433 4.154 20 30 HIEDRM CCc1c(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)cnn1-c1ccc(Cl)cc1 ZINC000482711599 898311684 /nfs/dbraw/zinc/31/16/84/898311684.db2.gz UDOFRFNRGQOTBY-UHFFFAOYSA-N -1 0 413.890 4.035 20 30 HIEDRM N#CC(=C([O-])c1nc(-c2cccs2)n(-c2ccccc2)n1)c1cnc2ccccc2n1 ZINC000483195146 898851182 /nfs/dbraw/zinc/85/11/82/898851182.db2.gz JLBQJTVOAILONT-INIZCTEOSA-N -1 0 422.473 4.429 20 30 HIEDRM N#CC(=C([O-])c1cc(-c2ccc(Br)cc2)[nH]n1)c1cnc2ccccc2n1 ZINC000483230289 898873131 /nfs/dbraw/zinc/87/31/31/898873131.db2.gz PKSQYESSDVURPQ-AWEZNQCLSA-N -1 0 418.254 4.272 20 30 HIEDRM C=CCOc1c(Br)cc(CNc2ccc(F)c(C(=O)[O-])c2)cc1OC ZINC000485403888 900702443 /nfs/dbraw/zinc/70/24/43/900702443.db2.gz KEQJIWIZLQLASQ-UHFFFAOYSA-N -1 0 410.239 4.472 20 30 HIEDRM Cc1cc(C)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1Br ZINC000486130627 901317553 /nfs/dbraw/zinc/31/75/53/901317553.db2.gz RVRBRCJEFJPJER-UHFFFAOYSA-N -1 0 401.232 4.017 20 30 HIEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)n1 ZINC000488282410 902745088 /nfs/dbraw/zinc/74/50/88/902745088.db2.gz IKYKYFHOIWOWQZ-UHFFFAOYSA-N -1 0 422.938 4.143 20 30 HIEDRM Cc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c2cc(Br)ccc2n1 ZINC000505997001 914667092 /nfs/dbraw/zinc/66/70/92/914667092.db2.gz LOMLLMAIOHULJD-HNNXBMFYSA-N -1 0 420.270 4.376 20 30 HIEDRM CCn1cc(-c2nn(C)cc2C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cn1 ZINC000495138624 906265752 /nfs/dbraw/zinc/26/57/52/906265752.db2.gz NHOFUBDUCRZFRP-QGZVFWFLSA-N -1 0 416.510 4.226 20 30 HIEDRM N#CC(=C([O-])c1ccc2nccnc2n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000496227404 906634456 /nfs/dbraw/zinc/63/44/56/906634456.db2.gz UOGQXIBHCDNJBD-YUCKINEMSA-N -1 0 415.522 4.439 20 30 HIEDRM N#CC(=C([O-])c1ccc2nccnc2n1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000496227400 906634656 /nfs/dbraw/zinc/63/46/56/906634656.db2.gz UOGQXIBHCDNJBD-MXZREZBESA-N -1 0 415.522 4.439 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(NC(=O)C(C)C)c3)n2)cc1 ZINC000497363513 906854079 /nfs/dbraw/zinc/85/40/79/906854079.db2.gz LFRGYGYJCYJNRY-QGZVFWFLSA-N -1 0 420.494 4.298 20 30 HIEDRM CCc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1S(C)(=O)=O ZINC000498702858 908127079 /nfs/dbraw/zinc/12/70/79/908127079.db2.gz UKRJSDLEGANPKQ-AWEZNQCLSA-N -1 0 418.927 4.406 20 30 HIEDRM CCOC(=O)c1cc2cc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)ccc2[nH]1 ZINC000512937937 921426130 /nfs/dbraw/zinc/42/61/30/921426130.db2.gz VKTJLPJERPVCIJ-MRXNPFEDSA-N -1 0 416.462 4.353 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cnn1C1CCOCC1 ZINC000500451475 909868901 /nfs/dbraw/zinc/86/89/01/909868901.db2.gz MXUITKDMTPOWEZ-AWEZNQCLSA-N -1 0 400.891 4.296 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cnn1C1CCOCC1 ZINC000500464527 909873354 /nfs/dbraw/zinc/87/33/54/909873354.db2.gz OWQVMHBLZNLFLQ-SFHVURJKSA-N -1 0 417.494 4.028 20 30 HIEDRM Cc1c(C#N)cccc1C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000513286076 921684354 /nfs/dbraw/zinc/68/43/54/921684354.db2.gz AKKKZXOFLBYTBR-UHFFFAOYSA-N -1 0 415.471 4.120 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c(Cl)c1 ZINC000502806978 911824887 /nfs/dbraw/zinc/82/48/87/911824887.db2.gz BDZVNZPQMBTRKA-UHFFFAOYSA-N -1 0 411.870 4.265 20 30 HIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)c(Cl)c1 ZINC000502837669 911849752 /nfs/dbraw/zinc/84/97/52/911849752.db2.gz IZWZIFGYSLXBHL-UHFFFAOYSA-N -1 0 422.959 4.425 20 30 HIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC000513376341 921749558 /nfs/dbraw/zinc/74/95/58/921749558.db2.gz GYSRSKJRRHVMCB-UHFFFAOYSA-N -1 0 408.527 4.210 20 30 HIEDRM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)cn1 ZINC000506553521 915198421 /nfs/dbraw/zinc/19/84/21/915198421.db2.gz BGJVMYNXQMLTFS-SFHVURJKSA-N -1 0 413.886 4.200 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cccc1OCC(F)(F)F ZINC000506615870 915269595 /nfs/dbraw/zinc/26/95/95/915269595.db2.gz BZYOTVCZQHWLOA-UHFFFAOYSA-N -1 0 417.302 4.293 20 30 HIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000506646616 915317198 /nfs/dbraw/zinc/31/71/98/915317198.db2.gz QTQQSVBWYFOLKE-LLVKDONJSA-N -1 0 412.334 4.039 20 30 HIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncc(Cc2ccc(F)cc2)s1 ZINC000507271602 916036026 /nfs/dbraw/zinc/03/60/26/916036026.db2.gz WOQQLHMJBKDIGV-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(C#N)c4ccccc4n3)c2)n1 ZINC000508125536 916943175 /nfs/dbraw/zinc/94/31/75/916943175.db2.gz PCNGCHLIBIQZGH-UHFFFAOYSA-N -1 0 406.492 4.339 20 30 HIEDRM Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000509104585 917843915 /nfs/dbraw/zinc/84/39/15/917843915.db2.gz XJVGNCWSSVIIET-UHFFFAOYSA-N -1 0 416.462 4.403 20 30 HIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)ccc1Cl ZINC000509376563 918042895 /nfs/dbraw/zinc/04/28/95/918042895.db2.gz BIGCWNXDXDGDFE-UHFFFAOYSA-N -1 0 422.691 4.323 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000509586640 918235613 /nfs/dbraw/zinc/23/56/13/918235613.db2.gz IBKRHDCIBNUXLI-UHFFFAOYSA-N -1 0 416.405 4.438 20 30 HIEDRM COc1cc(C#N)ccc1Oc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc32)cc1 ZINC000509600945 918250300 /nfs/dbraw/zinc/25/03/00/918250300.db2.gz JZEXSCGVPNUMHF-UHFFFAOYSA-N -1 0 420.450 4.036 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1C#N ZINC000509992829 918579525 /nfs/dbraw/zinc/57/95/25/918579525.db2.gz PZTIGARLOTXOQF-BBRMVZONSA-N -1 0 421.444 4.466 20 30 HIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(Br)cc1C ZINC000511741895 920417240 /nfs/dbraw/zinc/41/72/40/920417240.db2.gz XMXCVCHDEZTKRK-UHFFFAOYSA-N -1 0 409.305 4.137 20 30 HIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(Br)c(C)c([N+](=O)[O-])c3)nc21 ZINC000511930370 920680257 /nfs/dbraw/zinc/68/02/57/920680257.db2.gz OSSSBFVMLRKVFV-GFCCVEGCSA-N -1 0 413.231 4.341 20 30 HIEDRM CSc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)n1-c1ccc(F)cc1 ZINC000513671003 921993570 /nfs/dbraw/zinc/99/35/70/921993570.db2.gz FMWOIGSJQYABHR-OAHLLOKOSA-N -1 0 405.458 4.110 20 30 HIEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)c1 ZINC000513815719 922139679 /nfs/dbraw/zinc/13/96/79/922139679.db2.gz ZTMXZTUYSMATIX-UHFFFAOYSA-N -1 0 418.466 4.289 20 30 HIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1F ZINC000515100521 922913565 /nfs/dbraw/zinc/91/35/65/922913565.db2.gz BYZCUKWJPVODJC-INIZCTEOSA-N -1 0 424.881 4.099 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2cccs2)n1 ZINC000516794764 923889788 /nfs/dbraw/zinc/88/97/88/923889788.db2.gz LFMDHOXXUKGGRR-AWEZNQCLSA-N -1 0 410.476 4.102 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc(-c3ccc(F)cc3)n2)n1 ZINC000516795407 923889852 /nfs/dbraw/zinc/88/98/52/923889852.db2.gz JIJKIULUWSXKAC-LBPRGKRZSA-N -1 0 401.444 4.072 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2-c2ccccc2C#N)n1 ZINC000516793364 923890075 /nfs/dbraw/zinc/89/00/75/923890075.db2.gz OVCOUXZNDYZKFZ-SFHVURJKSA-N -1 0 401.447 4.349 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3ccccc3c2COC(C)C)n1 ZINC000516795661 923890192 /nfs/dbraw/zinc/89/01/92/923890192.db2.gz SNYGZHKDNFDMLH-CQSZACIVSA-N -1 0 412.467 4.481 20 30 HIEDRM COc1ccc(-n2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)n2)cc1 ZINC000517800775 926842195 /nfs/dbraw/zinc/84/21/95/926842195.db2.gz HLDMADVFAZQTQO-HNNXBMFYSA-N -1 0 407.380 4.116 20 30 HIEDRM CCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] ZINC000517800992 926842411 /nfs/dbraw/zinc/84/24/11/926842411.db2.gz VRXJFPVJXPEBMY-MRXNPFEDSA-N -1 0 418.434 4.479 20 30 HIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(OC)ccc3[N+](=O)[O-])n2)cc1 ZINC000517921813 926891329 /nfs/dbraw/zinc/89/13/29/926891329.db2.gz LOZLFLLVBDRZIN-MRXNPFEDSA-N -1 0 409.423 4.226 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2NC(=O)c2ccccc2)n1 ZINC000517925203 926892068 /nfs/dbraw/zinc/89/20/68/926892068.db2.gz GKCXPOZCQMUEEU-INIZCTEOSA-N -1 0 419.462 4.062 20 30 HIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)nnn1-c1cccc(C)c1 ZINC000518515435 927320171 /nfs/dbraw/zinc/32/01/71/927320171.db2.gz GEZCZRBRXPSPPY-LJQANCHMSA-N -1 0 424.489 4.369 20 30 HIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000518645638 927400134 /nfs/dbraw/zinc/40/01/34/927400134.db2.gz OTTXCCIEQKZQOM-UHFFFAOYSA-N -1 0 403.348 4.317 20 30 HIEDRM N#CC(=C([O-])c1cn(Cc2ccccc2)nn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000518873300 927582971 /nfs/dbraw/zinc/58/29/71/927582971.db2.gz VWTFRSSODIZHRM-CQSZACIVSA-N -1 0 421.432 4.218 20 30 HIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519397340 927921620 /nfs/dbraw/zinc/92/16/20/927921620.db2.gz AZCKJFVTAZPQGZ-LLVKDONJSA-N -1 0 411.892 4.301 20 30 HIEDRM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000520927073 928877603 /nfs/dbraw/zinc/87/76/03/928877603.db2.gz LKTWUYIOSCKKNF-UHFFFAOYSA-N -1 0 414.464 4.220 20 30 HIEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000527287575 930627086 /nfs/dbraw/zinc/62/70/86/930627086.db2.gz RPIDUQBVNPZYDL-UHFFFAOYSA-N -1 0 406.891 4.200 20 30 HIEDRM C=C(C)[C@H](CC(=O)N[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccs1)OCC ZINC000534466770 932486518 /nfs/dbraw/zinc/48/65/18/932486518.db2.gz VKISRZAXMIXMSY-QAPCUYQASA-N -1 0 422.572 4.097 20 30 HIEDRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000536150564 933687091 /nfs/dbraw/zinc/68/70/91/933687091.db2.gz MTVIIBPEUNFATJ-UHFFFAOYSA-N -1 0 423.344 4.308 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)cc1C#N ZINC000537583019 938328964 /nfs/dbraw/zinc/32/89/64/938328964.db2.gz AFBKIEPXOGEZOQ-UHFFFAOYSA-N -1 0 422.441 4.024 20 30 HIEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c1 ZINC000538848231 938724781 /nfs/dbraw/zinc/72/47/81/938724781.db2.gz HQOPPWULPAFYGI-UHFFFAOYSA-N -1 0 414.284 4.184 20 30 HIEDRM COc1ccc(-n2nc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2C)cc1 ZINC000540019973 939041241 /nfs/dbraw/zinc/04/12/41/939041241.db2.gz FMLZOXIODXNLQM-SFHVURJKSA-N -1 0 415.478 4.198 20 30 HIEDRM C=CCCC[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000540540314 939296607 /nfs/dbraw/zinc/29/66/07/939296607.db2.gz XKLYLIRGJZQFTE-KRWDZBQOSA-N -1 0 416.543 4.279 20 30 HIEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)c1OC ZINC000540706368 939344605 /nfs/dbraw/zinc/34/46/05/939344605.db2.gz LTQUAZGKPQPZFK-UHFFFAOYSA-N -1 0 401.418 4.054 20 30 HIEDRM O=C(N[C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)c1cc(F)c(F)c([O-])c1F ZINC000541748401 939619686 /nfs/dbraw/zinc/61/96/86/939619686.db2.gz LDCUFMNJUIBJME-CYBMUJFWSA-N -1 0 415.236 4.444 20 30 HIEDRM CCCc1c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cnn1-c1ccccc1 ZINC000543024026 939897584 /nfs/dbraw/zinc/89/75/84/939897584.db2.gz WEHXFKYJABCBII-UHFFFAOYSA-N -1 0 400.891 4.151 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccccc2)n1 ZINC000543058859 939913746 /nfs/dbraw/zinc/91/37/46/939913746.db2.gz ZSDUOXJVEWZPQY-KRWDZBQOSA-N -1 0 404.447 4.041 20 30 HIEDRM COCCn1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1 ZINC000543879088 940222038 /nfs/dbraw/zinc/22/20/38/940222038.db2.gz LKKGEAXXKFJEJF-OAHLLOKOSA-N -1 0 400.891 4.105 20 30 HIEDRM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000544724813 940507964 /nfs/dbraw/zinc/50/79/64/940507964.db2.gz IWHMNFLPSNVBMQ-IMTBSYHQSA-N -1 0 419.265 4.059 20 30 HIEDRM Cc1ccc(Cn2cc(C([O-])=C(C#N)c3ccncn3)c(-c3ccc(C)cc3)n2)cc1 ZINC000544814811 940516790 /nfs/dbraw/zinc/51/67/90/940516790.db2.gz JKGMJJKGCBYAEW-OAQYLSRUSA-N -1 0 407.477 4.495 20 30 HIEDRM Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)s2)c1 ZINC000545860676 940641537 /nfs/dbraw/zinc/64/15/37/940641537.db2.gz QZQLPAPOOIMZET-UHFFFAOYSA-N -1 0 404.904 4.148 20 30 HIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3ccncn3)c3ccccc3n2)cc1OC ZINC000546153418 940715269 /nfs/dbraw/zinc/71/52/69/940715269.db2.gz SXDGTVCDMDWMGD-GOSISDBHSA-N -1 0 410.433 4.199 20 30 HIEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000546706998 940871398 /nfs/dbraw/zinc/87/13/98/940871398.db2.gz AGVBVFJNLUWQDU-UHFFFAOYSA-N -1 0 418.421 4.165 20 30 HIEDRM Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C([O-])=C(C#N)c3ccncn3)c12 ZINC000546858770 940896850 /nfs/dbraw/zinc/89/68/50/940896850.db2.gz HNEJNZPXYFOOKS-OAHLLOKOSA-N -1 0 423.354 4.497 20 30 HIEDRM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1-c1ccccc1 ZINC000548770752 941123208 /nfs/dbraw/zinc/12/32/08/941123208.db2.gz ABOYCHBRHGWQPN-UHFFFAOYSA-N -1 0 406.389 4.076 20 30 HIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc(C(=O)Nc3ccccc3)c2)n1 ZINC000552063745 941577231 /nfs/dbraw/zinc/57/72/31/941577231.db2.gz LAZZXYSQKQRNMU-KRWDZBQOSA-N -1 0 419.462 4.062 20 30 HIEDRM N#Cc1cc(F)cc(C2(C(=O)Nc3cc(Cl)cc(Br)c3[O-])CC2)c1 ZINC000552133456 941591237 /nfs/dbraw/zinc/59/12/37/941591237.db2.gz GWDJVNHSCJDIHX-UHFFFAOYSA-N -1 0 409.642 4.489 20 30 HIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@](C)(Cc2ccc(Cl)cc2)C(C)C)cc1C#N ZINC000554629917 942180054 /nfs/dbraw/zinc/18/00/54/942180054.db2.gz XPATVXXLNFOAEW-FQEVSTJZSA-N -1 0 403.935 4.421 20 30 HIEDRM C[C@@H](Sc1ccccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1)C(N)=O ZINC000555075925 942377989 /nfs/dbraw/zinc/37/79/89/942377989.db2.gz CPBMLGISCCLNHJ-ZWNOBZJWSA-N -1 0 415.927 4.406 20 30 HIEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3cc(Cl)ccc3F)s2)cc1 ZINC000556306005 942837361 /nfs/dbraw/zinc/83/73/61/942837361.db2.gz WLNSCYIVSYRGIR-UHFFFAOYSA-N -1 0 407.879 4.199 20 30 HIEDRM CC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557612478 943231115 /nfs/dbraw/zinc/23/11/15/943231115.db2.gz CEVINIOFXWZCIK-UHFFFAOYSA-N -1 0 414.849 4.071 20 30 HIEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000560147567 944178744 /nfs/dbraw/zinc/17/87/44/944178744.db2.gz ACCHTTQLVOYQPW-UHFFFAOYSA-N -1 0 406.312 4.130 20 30 HIEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2NC23CC4CC(CC(C4)C2)C3)c1 ZINC000565686009 945867495 /nfs/dbraw/zinc/86/74/95/945867495.db2.gz MBCAKFKQRSSMPP-UHFFFAOYSA-N -1 0 408.527 4.135 20 30 HIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccccn1)c1nc(-c2c(F)cccc2F)cs1 ZINC000567527737 946362037 /nfs/dbraw/zinc/36/20/37/946362037.db2.gz UWOFADCOALVTOS-LLVKDONJSA-N -1 0 407.405 4.363 20 30 HIEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(Oc3ccnc4ccccc43)c2)c1 ZINC000569400128 946867578 /nfs/dbraw/zinc/86/75/78/946867578.db2.gz SOZUHKBRTTVIRT-UHFFFAOYSA-N -1 0 402.435 4.095 20 30 HIEDRM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000569881455 947031935 /nfs/dbraw/zinc/03/19/35/947031935.db2.gz DHTHEBHZEPWQJF-SNVBAGLBSA-N -1 0 404.797 4.342 20 30 HIEDRM Cc1cc(S(=O)(=O)[N-]c2noc(-c3ccccc3)c2Br)ccc1C#N ZINC000572503180 947918090 /nfs/dbraw/zinc/91/80/90/947918090.db2.gz LPBJADZFRMQNBU-UHFFFAOYSA-N -1 0 418.272 4.085 20 30 HIEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000573298423 948151535 /nfs/dbraw/zinc/15/15/35/948151535.db2.gz JOYDYFXOWIWCLW-UHFFFAOYSA-N -1 0 423.185 4.279 20 30 HIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cnn1-c1ccc(Cl)cc1 ZINC000573716939 948281352 /nfs/dbraw/zinc/28/13/52/948281352.db2.gz MWAPYWLIVQOLJF-UHFFFAOYSA-N -1 0 407.282 4.160 20 30 HIEDRM