smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001593283369 1094264935 /nfs/dbraw/zinc/26/49/35/1094264935.db2.gz PIBUFEUJJHIAQD-SNAWJCMRSA-N -2 1 326.337 2.523 20 30 EFEDML O=C([O-])c1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001593283369 1094264942 /nfs/dbraw/zinc/26/49/42/1094264942.db2.gz PIBUFEUJJHIAQD-SNAWJCMRSA-N -2 1 326.337 2.523 20 30 EFEDML N#Cc1cc([O-])cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC001601089650 1095502841 /nfs/dbraw/zinc/50/28/41/1095502841.db2.gz URFAUCXQTPALKK-UHFFFAOYSA-N -2 1 338.363 2.771 20 30 EFEDML C[C@@H](Oc1cccc(CN=Nc2cccc(F)c2C(=O)[O-])c1)C(=O)[O-] ZINC001604441661 1096856288 /nfs/dbraw/zinc/85/62/88/1096856288.db2.gz QETZGGSMMUHBHL-SNVBAGLBSA-N -2 1 346.314 2.822 20 30 EFEDML N#Cc1ccnc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1Cl ZINC001167934436 1097338167 /nfs/dbraw/zinc/33/81/67/1097338167.db2.gz JCTGOJLBVHAOBQ-UHFFFAOYSA-N -2 1 349.714 2.691 20 30 EFEDML O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1ccc([O-])c(Cl)c1 ZINC001609519733 1098367305 /nfs/dbraw/zinc/36/73/05/1098367305.db2.gz JYSJZHHFAVMCFM-ARJAWSKDSA-N -2 1 333.760 2.578 20 30 EFEDML O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1ccc([O-])c(Cl)c1 ZINC001609519733 1098367310 /nfs/dbraw/zinc/36/73/10/1098367310.db2.gz JYSJZHHFAVMCFM-ARJAWSKDSA-N -2 1 333.760 2.578 20 30 EFEDML C[C@@](CC(=O)[O-])(NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC001609728618 1098440594 /nfs/dbraw/zinc/44/05/94/1098440594.db2.gz KMCNRSRXHUIMDJ-SFHVURJKSA-N -2 1 342.326 2.523 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1C ZINC001610432988 1098673988 /nfs/dbraw/zinc/67/39/88/1098673988.db2.gz RGZXWCGHIMRWBD-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML CC(=Cc1cc(O)ccc1Br)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193611883 240118762 /nfs/dbraw/zinc/11/87/62/240118762.db2.gz CKSCJOIGLFENAG-YVMONPNESA-N -2 1 346.184 2.979 20 30 EFEDML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355833296 242048980 /nfs/dbraw/zinc/04/89/80/242048980.db2.gz PPAYDCFJHRLTCK-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000356494820 147260639 /nfs/dbraw/zinc/26/06/39/147260639.db2.gz BJCUWZMZFANZJQ-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000320618374 311238009 /nfs/dbraw/zinc/23/80/09/311238009.db2.gz WERFOWSRBMAHLM-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000548534335 318118453 /nfs/dbraw/zinc/11/84/53/318118453.db2.gz FEYQQRIETQHMIW-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])ccc1C#N ZINC000569308216 319367106 /nfs/dbraw/zinc/36/71/06/319367106.db2.gz IIOCBVFQHUMDBO-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1Cl ZINC000010514789 471737565 /nfs/dbraw/zinc/73/75/65/471737565.db2.gz HUPFRDJHMVREEX-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000073353674 472801443 /nfs/dbraw/zinc/80/14/43/472801443.db2.gz OMVOJUYBCDIHRB-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1C ZINC000179029403 473615125 /nfs/dbraw/zinc/61/51/25/473615125.db2.gz WLDDZEZTNJNXIU-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])ccc1C#N ZINC000324044832 474960812 /nfs/dbraw/zinc/96/08/12/474960812.db2.gz FLJRRVVUUYOWOP-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC000324949151 474979724 /nfs/dbraw/zinc/97/97/24/474979724.db2.gz TUOHYVNPSOIXOP-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000336873367 476155098 /nfs/dbraw/zinc/15/50/98/476155098.db2.gz SLRMGUSSMXECTM-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccccc2CC#N)ccc1C(=O)[O-] ZINC000350870503 476308465 /nfs/dbraw/zinc/30/84/65/476308465.db2.gz NAOZAVOJBZNTRP-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML C=CCC1(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CCCC1 ZINC000456485079 477951964 /nfs/dbraw/zinc/95/19/64/477951964.db2.gz JYAHHSYROITIEE-UHFFFAOYSA-N -2 1 342.399 2.611 20 30 EFEDML CCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000152920037 524016544 /nfs/dbraw/zinc/01/65/44/524016544.db2.gz VINBZYOFVDFCAF-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccc(C(F)(F)F)nn1)O2 ZINC000754711120 575475687 /nfs/dbraw/zinc/47/56/87/575475687.db2.gz LUMGNRAGRLLCDD-UHFFFAOYSA-N -2 1 338.245 2.510 20 30 EFEDML N#Cc1ccc([C@H](OC(=O)c2c([O-])cc(F)cc2F)C(=O)[O-])cc1 ZINC000739113994 600615084 /nfs/dbraw/zinc/61/50/84/600615084.db2.gz DXSIZYKXCBXMPU-AWEZNQCLSA-N -2 1 333.246 2.525 20 30 EFEDML CCCc1cc(=O)[n-]c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000737044923 600935965 /nfs/dbraw/zinc/93/59/65/600935965.db2.gz KFYIMXDVAQUIFS-AWEZNQCLSA-N -2 1 329.381 2.924 20 30 EFEDML CCCc1cc(=O)[n-]c(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000737044924 600936089 /nfs/dbraw/zinc/93/60/89/600936089.db2.gz KFYIMXDVAQUIFS-CQSZACIVSA-N -2 1 329.381 2.924 20 30 EFEDML C[C@H](Oc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1)C(=O)[O-] ZINC000794888484 602071087 /nfs/dbraw/zinc/07/10/87/602071087.db2.gz QVEGKCRPGXJINV-NSHDSACASA-N -2 1 328.324 2.683 20 30 EFEDML C[C@@H](Oc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1)C(=O)[O-] ZINC000794702410 602112232 /nfs/dbraw/zinc/11/22/32/602112232.db2.gz QDJRHYQXDAICLK-LAUIRUGDSA-N -2 1 328.320 2.846 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1 ZINC000738252011 603181780 /nfs/dbraw/zinc/18/17/80/603181780.db2.gz ZNOLOINNPQYLNC-UHFFFAOYSA-N -2 1 331.353 2.757 20 30 EFEDML C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC000833367125 605187244 /nfs/dbraw/zinc/18/72/44/605187244.db2.gz PSUJNKBURLVSBF-UHFFFAOYSA-N -2 1 345.376 2.506 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1oc(C(C)(C)C)nc1C#N)O2 ZINC000746498136 1274305356 /nfs/dbraw/zinc/30/53/56/1274305356.db2.gz JXWCIXFSYCSTPP-UHFFFAOYSA-N -2 1 340.339 2.859 20 30 EFEDML Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)cc1C(=O)[O-] ZINC001184695754 1290494202 /nfs/dbraw/zinc/49/42/02/1290494202.db2.gz GZQRCTXXHAGMAW-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML COc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)ccc1OCC(=O)[O-] ZINC000780188148 1313932122 /nfs/dbraw/zinc/93/21/22/1313932122.db2.gz LLHYBVATQVOVKF-AWNIVKPZSA-N -2 1 340.331 2.687 20 30 EFEDML O=C([N-]CCNc1cc(/C=N/[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC001164246264 1312477312 /nfs/dbraw/zinc/47/73/12/1312477312.db2.gz WQTNNXJBMBDIDI-AERZKKPOSA-N -2 1 343.227 2.604 20 30 EFEDML C=CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000316576762 1315468148 /nfs/dbraw/zinc/46/81/48/1315468148.db2.gz GYIWZWGHDVSLTM-LURJTMIESA-N -2 1 344.241 2.753 20 30 EFEDML O=C([O-])c1cc(NN=Cc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000826461740 1425997801 /nfs/dbraw/zinc/99/78/01/1425997801.db2.gz FLIDAVDESOXWLS-UHFFFAOYSA-N -2 1 342.746 2.664 20 30 EFEDML COc1ccc(C=CC(=O)c2ccc([O-])c(F)c2)cc1-c1nnn[n-]1 ZINC000737081895 1441845295 /nfs/dbraw/zinc/84/52/95/1441845295.db2.gz RNOVFSRSGHDJPR-GORDUTHDSA-N -2 1 340.314 2.616 20 30 EFEDML O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1[O-] ZINC000822929422 1442232745 /nfs/dbraw/zinc/23/27/45/1442232745.db2.gz UEVSPRVFCUHOSR-PLNGDYQASA-N -2 1 328.278 2.747 20 30 EFEDML O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1[O-] ZINC000826401045 1442439770 /nfs/dbraw/zinc/43/97/70/1442439770.db2.gz NXAKRMVJZMSJTL-QHHAFSJGSA-N -2 1 328.278 2.747 20 30 EFEDML O=C([O-])c1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cs1 ZINC000826402291 1443236381 /nfs/dbraw/zinc/23/63/81/1443236381.db2.gz QIHUZNNJFCLSFD-WAYWQWQTSA-N -2 1 326.337 2.523 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821837367 1446232980 /nfs/dbraw/zinc/23/29/80/1446232980.db2.gz CUKJLXJSIBQCTN-HYXAFXHYSA-N -2 1 328.353 2.539 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821837367 1446232985 /nfs/dbraw/zinc/23/29/85/1446232985.db2.gz CUKJLXJSIBQCTN-HYXAFXHYSA-N -2 1 328.353 2.539 20 30 EFEDML CCc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC000326520656 971300385 /nfs/dbraw/zinc/30/03/85/971300385.db2.gz AHRZFUKPLGICJY-UHFFFAOYSA-N -2 1 344.392 2.814 20 30 EFEDML C=CCCC(C)(C)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001573353214 962999810 /nfs/dbraw/zinc/99/98/10/962999810.db2.gz RRPXKZSXMZAUPH-UHFFFAOYSA-N -2 1 347.383 2.934 20 30 EFEDML N#CC1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001601052539 1095481322 /nfs/dbraw/zinc/48/13/22/1095481322.db2.gz SAMBHYAVFVPXAU-UHFFFAOYSA-N -2 1 329.183 2.889 20 30 EFEDML N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC001601078046 1095493502 /nfs/dbraw/zinc/49/35/02/1095493502.db2.gz GHCVFLWMFCGLDP-UHFFFAOYSA-N -2 1 344.392 2.571 20 30 EFEDML N#Cc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1[O-] ZINC001601092502 1095504542 /nfs/dbraw/zinc/50/45/42/1095504542.db2.gz RTVLGJISHCHGBO-HNNXBMFYSA-N -2 1 330.384 2.665 20 30 EFEDML N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[O-] ZINC001601094369 1095506943 /nfs/dbraw/zinc/50/69/43/1095506943.db2.gz TZBXEVGMRDMTJN-SFHVURJKSA-N -2 1 346.342 2.973 20 30 EFEDML N#Cc1ccc([C@H](Sc2nc(C(F)F)cc(=O)[n-]2)C(=O)[O-])cc1 ZINC001601099646 1095511691 /nfs/dbraw/zinc/51/16/91/1095511691.db2.gz SLTZLVWOAVQBAU-NSHDSACASA-N -2 1 337.307 2.909 20 30 EFEDML C=CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CCCC1 ZINC001602851690 1096384019 /nfs/dbraw/zinc/38/40/19/1096384019.db2.gz USHPDDQQNYFXER-UHFFFAOYSA-N -2 1 333.793 2.798 20 30 EFEDML CC#Cc1cncc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1 ZINC001167938260 1097377146 /nfs/dbraw/zinc/37/71/46/1097377146.db2.gz HRGHNLNABZGRLL-UHFFFAOYSA-N -2 1 328.308 2.538 20 30 EFEDML Cc1c(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)cccc1C(=O)[O-] ZINC001607550026 1097659424 /nfs/dbraw/zinc/65/94/24/1097659424.db2.gz AXUNTYMPKJXOJX-UHFFFAOYSA-N -2 1 336.351 2.818 20 30 EFEDML CCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC000326520567 270026190 /nfs/dbraw/zinc/02/61/90/270026190.db2.gz AFLYQJQNBRNCAE-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C(=O)[O-])c1 ZINC000427212314 270028165 /nfs/dbraw/zinc/02/81/65/270028165.db2.gz KSTDTCLHERXGKX-UHFFFAOYSA-N -2 1 348.355 2.759 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC000547874124 318050532 /nfs/dbraw/zinc/05/05/32/318050532.db2.gz OTLZYGTZDZSAJA-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000548205365 318084357 /nfs/dbraw/zinc/08/43/57/318084357.db2.gz VKJANHHHBSUEIH-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000045945455 472489306 /nfs/dbraw/zinc/48/93/06/472489306.db2.gz AEZFKXFYANGPOS-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000071916514 472621069 /nfs/dbraw/zinc/62/10/69/472621069.db2.gz BUJHGRPHBFEAMW-UHFFFAOYSA-N -2 1 344.392 2.721 20 30 EFEDML CCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1C(=O)[O-] ZINC000178621499 473539001 /nfs/dbraw/zinc/53/90/01/473539001.db2.gz ZXVSUEAZAAZZEF-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML C=C(C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000290552318 474577350 /nfs/dbraw/zinc/57/73/50/474577350.db2.gz QONJNQOHUUFYFD-UHFFFAOYSA-N -2 1 339.291 2.601 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)ccc1C#N ZINC000323203459 474945106 /nfs/dbraw/zinc/94/51/06/474945106.db2.gz GTQFDVIXMNKCAM-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1C(=O)[O-] ZINC000323692941 474952398 /nfs/dbraw/zinc/95/23/98/474952398.db2.gz DJSQMGLIZDQLSR-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000324067527 474960009 /nfs/dbraw/zinc/96/00/09/474960009.db2.gz DMRVJOVUPFDWPA-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000336868462 476149434 /nfs/dbraw/zinc/14/94/34/476149434.db2.gz TVJXJXJBUXOWFQ-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000336866956 476149614 /nfs/dbraw/zinc/14/96/14/476149614.db2.gz JYZANXNHNHXIAS-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)ccc1C#N ZINC000336872345 476156567 /nfs/dbraw/zinc/15/65/67/476156567.db2.gz MCLZVRZKGJCACH-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461270 479800038 /nfs/dbraw/zinc/80/00/38/479800038.db2.gz FBMNFZAIURTLTG-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML O=C([O-])CCOc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1 ZINC000757467816 575839882 /nfs/dbraw/zinc/83/98/82/575839882.db2.gz MWHMUUNIROLSLP-XVNBXDOJSA-N -2 1 328.320 2.847 20 30 EFEDML O=C([O-])CCOc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1 ZINC000757468888 575840193 /nfs/dbraw/zinc/84/01/93/575840193.db2.gz YZQSYGWZDNVBGW-GQCTYLIASA-N -2 1 328.320 2.847 20 30 EFEDML C#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000730995362 599838339 /nfs/dbraw/zinc/83/83/39/599838339.db2.gz GFQIMQAVUWXWJK-UHFFFAOYSA-N -2 1 345.376 2.506 20 30 EFEDML Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1C(=O)[O-] ZINC000738744062 599850064 /nfs/dbraw/zinc/85/00/64/599850064.db2.gz HXRMKVDYJBCTOF-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738501417 600097977 /nfs/dbraw/zinc/09/79/77/600097977.db2.gz SLUOVWYTJLOOGV-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000738501411 600492992 /nfs/dbraw/zinc/49/29/92/600492992.db2.gz SASWNOZYVNDWBW-UHFFFAOYSA-N -2 1 349.343 2.897 20 30 EFEDML C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000730995828 600816141 /nfs/dbraw/zinc/81/61/41/600816141.db2.gz KNIBJUYMTJHJRF-UHFFFAOYSA-N -2 1 345.376 2.506 20 30 EFEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832849398 604399524 /nfs/dbraw/zinc/39/95/24/604399524.db2.gz GDYPZMQNUQNNNN-JXMROGBWSA-N -2 1 342.376 2.765 20 30 EFEDML CC(=NNc1ccccc1C(=O)[O-])c1cccc(OCC(=O)[O-])c1 ZINC000812445386 605101197 /nfs/dbraw/zinc/10/11/97/605101197.db2.gz WUPAJAONQHMBIF-UHFFFAOYSA-N -2 1 328.324 2.684 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(OCC(=O)[O-])cc1)O2 ZINC000833746681 605147609 /nfs/dbraw/zinc/14/76/09/605147609.db2.gz GHNNPNQXJYDADT-CHHVJCJISA-N -2 1 326.304 2.780 20 30 EFEDML CC(=NNc1ccccc1C(=O)[O-])c1ccccc1OCC(=O)[O-] ZINC000833386914 605326555 /nfs/dbraw/zinc/32/65/55/605326555.db2.gz BZBOXSIUVBNGED-UHFFFAOYSA-N -2 1 328.324 2.684 20 30 EFEDML Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186133286 1290869452 /nfs/dbraw/zinc/86/94/52/1290869452.db2.gz COMSGQKGOSKJLP-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML N#Cc1ccc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c([O-])c1 ZINC001189109249 1291571551 /nfs/dbraw/zinc/57/15/51/1291571551.db2.gz WYWLDPPVSWDBJZ-UHFFFAOYSA-N -2 1 336.800 2.902 20 30 EFEDML C#Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1F ZINC001192145907 1292793531 /nfs/dbraw/zinc/79/35/31/1292793531.db2.gz XZIPEMPGPUTAIG-UHFFFAOYSA-N -2 1 347.367 2.625 20 30 EFEDML N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198783259 1295228892 /nfs/dbraw/zinc/22/88/92/1295228892.db2.gz YGSUVGVXSHFGHC-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML C#C[C@H](C)Oc1cc2c(cc1O)oc1cc([O-])cc(OC)c1c2=O ZINC001234799797 1313193228 /nfs/dbraw/zinc/19/32/28/1313193228.db2.gz UYTXFOHYMIVSPU-VIFPVBQESA-N -2 1 326.304 2.767 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2F)ccc1[O-] ZINC001259458432 1316245925 /nfs/dbraw/zinc/24/59/25/1316245925.db2.gz NXCXKNGQNDKPNU-UHFFFAOYSA-N -2 1 326.736 2.857 20 30 EFEDML C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001260189730 1316321665 /nfs/dbraw/zinc/32/16/65/1316321665.db2.gz ZXKCUKZGOYPJJX-NSHDSACASA-N -2 1 330.365 2.813 20 30 EFEDML Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227505 1316324288 /nfs/dbraw/zinc/32/42/88/1316324288.db2.gz ATTCLKCHGVZCHS-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1[O-] ZINC000822921924 1428960130 /nfs/dbraw/zinc/96/01/30/1428960130.db2.gz AKDMJQROSWNXPT-UTCJRWHESA-N -2 1 328.278 2.747 20 30 EFEDML CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963058 1449744459 /nfs/dbraw/zinc/74/44/59/1449744459.db2.gz UNZLQSNOUQONDO-UHFFFAOYSA-N -2 1 340.318 2.540 20 30 EFEDML C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(C)(C)C ZINC001588376306 983350579 /nfs/dbraw/zinc/35/05/79/983350579.db2.gz SEXLGCOPWPKCPR-LLVKDONJSA-N -2 1 347.795 2.504 20 30 EFEDML N#Cc1c(CSc2nc(C(F)F)cc(=O)[n-]2)cccc1C(=O)[O-] ZINC001601080327 1095494933 /nfs/dbraw/zinc/49/49/33/1095494933.db2.gz JAKYNUCZKYGHIZ-UHFFFAOYSA-N -2 1 337.307 2.982 20 30 EFEDML N#Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1[O-] ZINC001601092503 1095503799 /nfs/dbraw/zinc/50/37/99/1095503799.db2.gz RTVLGJISHCHGBO-OAHLLOKOSA-N -2 1 330.384 2.665 20 30 EFEDML N#Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)cc1[O-] ZINC001601094510 1095507350 /nfs/dbraw/zinc/50/73/50/1095507350.db2.gz YRWXIUPHCMLFLL-SFHVURJKSA-N -2 1 346.342 2.973 20 30 EFEDML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001605827162 1097240890 /nfs/dbraw/zinc/24/08/90/1097240890.db2.gz NVZAQDHUPONZCP-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC000320471723 141492760 /nfs/dbraw/zinc/49/27/60/141492760.db2.gz QXIXIYACCXZSSG-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1C(=O)[O-] ZINC000350895317 146099460 /nfs/dbraw/zinc/09/94/60/146099460.db2.gz KMOGKPOCWHQDBL-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C(=O)[O-] ZINC000427197134 270028207 /nfs/dbraw/zinc/02/82/07/270028207.db2.gz BKCOSEAMPMYWPL-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1C(=O)[O-] ZINC000179029264 273042211 /nfs/dbraw/zinc/04/22/11/273042211.db2.gz QVHUMOQFNLPIEZ-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000547874369 318050607 /nfs/dbraw/zinc/05/06/07/318050607.db2.gz BBAARBWPTMTIJY-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000076937308 472426702 /nfs/dbraw/zinc/42/67/02/472426702.db2.gz RNSCRTVHVILJGB-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000071916512 472621004 /nfs/dbraw/zinc/62/10/04/472621004.db2.gz HYTOAHHZMHBFNV-UHFFFAOYSA-N -2 1 344.392 2.721 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000324100821 474960379 /nfs/dbraw/zinc/96/03/79/474960379.db2.gz JLBRHCBCQCDKNF-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1 ZINC000336852796 476143070 /nfs/dbraw/zinc/14/30/70/476143070.db2.gz YOFDSTXOUXEXPY-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)ccc1C#N ZINC000336872625 476154931 /nfs/dbraw/zinc/15/49/31/476154931.db2.gz OZSODNVHPHZROI-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1c([N-]S(=O)(=O)c2cccc(CC#N)c2)cccc1C(=O)[O-] ZINC000619462652 479800245 /nfs/dbraw/zinc/80/02/45/479800245.db2.gz XLUMHMIJRGSZFV-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000757472500 575840093 /nfs/dbraw/zinc/84/00/93/575840093.db2.gz JLOSSDZHCAZVKE-DJWKRKHSSA-N -2 1 329.264 2.600 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1 ZINC000738320509 600693516 /nfs/dbraw/zinc/69/35/16/600693516.db2.gz UBEXRJCWBARZLE-UHFFFAOYSA-N -2 1 331.353 2.757 20 30 EFEDML N#Cc1cccc([C@@H](OC(=O)c2c([O-])cc(F)cc2F)C(=O)[O-])c1 ZINC000833077603 601351550 /nfs/dbraw/zinc/35/15/50/601351550.db2.gz XHVFFAIFEJKQGQ-CQSZACIVSA-N -2 1 333.246 2.525 20 30 EFEDML [O-]c1ccc(Cl)c(F)c1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000790148631 1277288268 /nfs/dbraw/zinc/28/82/68/1277288268.db2.gz ZWWPEZOPZMHALO-UHFFFAOYSA-N -2 1 340.689 2.966 20 30 EFEDML N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808114459 1281541934 /nfs/dbraw/zinc/54/19/34/1281541934.db2.gz ZFWGWAOXDSCKNL-UHFFFAOYSA-N -2 1 326.736 2.857 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)ccc1[O-] ZINC001187969374 1291275026 /nfs/dbraw/zinc/27/50/26/1291275026.db2.gz ORYXYNOBSNVLCQ-UHFFFAOYSA-N -2 1 344.179 2.766 20 30 EFEDML C#Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1F ZINC001192139062 1292807259 /nfs/dbraw/zinc/80/72/59/1292807259.db2.gz AOIZKCMRVGZNKY-UHFFFAOYSA-N -2 1 347.367 2.625 20 30 EFEDML Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198778553 1295249445 /nfs/dbraw/zinc/24/94/45/1295249445.db2.gz GWAOMNVJJUNNFY-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML C#C[C@@H](CC)Oc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O ZINC001227993598 1311886160 /nfs/dbraw/zinc/88/61/60/1311886160.db2.gz CXCOFFMSNVTARS-LBPRGKRZSA-N -2 1 336.343 2.972 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)c(Cl)c1 ZINC001259112891 1316211245 /nfs/dbraw/zinc/21/12/45/1316211245.db2.gz QINQCPJNGGARAI-UHFFFAOYSA-N -2 1 333.756 2.590 20 30 EFEDML CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189639 1316321425 /nfs/dbraw/zinc/32/14/25/1316321425.db2.gz SMHZILBKFCRTOS-UHFFFAOYSA-N -2 1 344.392 2.987 20 30 EFEDML Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228492 1316324744 /nfs/dbraw/zinc/32/47/44/1316324744.db2.gz HGRWGKJTXLTNAV-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1[O-] ZINC000822929423 1425144092 /nfs/dbraw/zinc/14/40/92/1425144092.db2.gz UEVSPRVFCUHOSR-SNAWJCMRSA-N -2 1 328.278 2.747 20 30 EFEDML COc1ccc(C=CC(=O)c2cc(C)ccc2[O-])cc1-c1nn[n-]n1 ZINC000821786622 1425224977 /nfs/dbraw/zinc/22/49/77/1425224977.db2.gz GQWJXZCXUCDYOQ-QPJJXVBHSA-N -2 1 336.351 2.785 20 30 EFEDML COc1ccc(C=CC(=O)c2cc(C)ccc2[O-])cc1-c1nnn[n-]1 ZINC000821786622 1425224996 /nfs/dbraw/zinc/22/49/96/1425224996.db2.gz GQWJXZCXUCDYOQ-QPJJXVBHSA-N -2 1 336.351 2.785 20 30 EFEDML O=C([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826461862 1426769026 /nfs/dbraw/zinc/76/90/26/1426769026.db2.gz ITBMIZCRGGPUCT-UHFFFAOYSA-N -2 1 342.746 2.664 20 30 EFEDML O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1[O-] ZINC000822922023 1427443174 /nfs/dbraw/zinc/44/31/74/1427443174.db2.gz BWMJIDDPADTWNG-UTCJRWHESA-N -2 1 328.278 2.747 20 30 EFEDML O=C([O-])c1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737795755 1427859116 /nfs/dbraw/zinc/85/91/16/1427859116.db2.gz LNNOVVSIZFIVKC-ZZXKWVIFSA-N -2 1 326.337 2.523 20 30 EFEDML O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc(F)cc(F)c1[O-] ZINC000822922919 1443322677 /nfs/dbraw/zinc/32/26/77/1443322677.db2.gz KVRGKKQLXTVAHI-IWQZZHSRSA-N -2 1 334.307 2.808 20 30 EFEDML COc1ccc(C=CC(=O)c2ccc(F)cc2[O-])cc1-c1nnn[n-]1 ZINC000821787432 1449767279 /nfs/dbraw/zinc/76/72/79/1449767279.db2.gz TVZSZPRBIQAZQC-QHHAFSJGSA-N -2 1 340.314 2.616 20 30 EFEDML C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000320084923 723376858 /nfs/dbraw/zinc/37/68/58/723376858.db2.gz LBNSVCXGYFFONV-UHFFFAOYSA-N -2 1 333.356 2.544 20 30 EFEDML C=CCC[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000909717199 727368004 /nfs/dbraw/zinc/36/80/04/727368004.db2.gz DGZVFTXMRXYQRO-NSHDSACASA-N -2 1 327.764 2.594 20 30 EFEDML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000793411957 978808201 /nfs/dbraw/zinc/80/82/01/978808201.db2.gz MXQRGRMCTKNMQA-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001589599420 987422652 /nfs/dbraw/zinc/42/26/52/987422652.db2.gz WMWVGMQDUUJAIK-INIZCTEOSA-N -2 1 338.363 2.846 20 30 EFEDML COc1cc(/C=C\C(=O)c2ccc([O-])cc2)ccc1OCC(=O)[O-] ZINC000209989672 1094633263 /nfs/dbraw/zinc/63/32/63/1094633263.db2.gz MSQNPRFJRWUVBU-WAPJZHGLSA-N -2 1 328.320 2.760 20 30 EFEDML N#Cc1cc([O-])cc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c1 ZINC001601089572 1095500516 /nfs/dbraw/zinc/50/05/16/1095500516.db2.gz SEQWIEMIDHXRGB-UHFFFAOYSA-N -2 1 346.726 2.633 20 30 EFEDML N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)cc1[O-] ZINC001601094509 1095506411 /nfs/dbraw/zinc/50/64/11/1095506411.db2.gz YRWXIUPHCMLFLL-GOSISDBHSA-N -2 1 346.342 2.973 20 30 EFEDML N#Cc1ccc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1[O-] ZINC001601094265 1095506856 /nfs/dbraw/zinc/50/68/56/1095506856.db2.gz PYROLOJULUBUNB-HOTGVXAUSA-N -2 1 336.347 2.694 20 30 EFEDML N#Cc1nc(C(=O)[O-])ccc1NCc1cccc(Br)c1[O-] ZINC001601135014 1095535689 /nfs/dbraw/zinc/53/56/89/1095535689.db2.gz TYUUSBPCQXYPIP-UHFFFAOYSA-N -2 1 348.156 2.732 20 30 EFEDML C[C@H](Oc1cccc(CN=Nc2cccc(F)c2C(=O)[O-])c1)C(=O)[O-] ZINC001604441659 1096856424 /nfs/dbraw/zinc/85/64/24/1096856424.db2.gz QETZGGSMMUHBHL-JTQLQIEISA-N -2 1 346.314 2.822 20 30 EFEDML N#Cc1ccc(Cl)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1 ZINC001167939235 1097383788 /nfs/dbraw/zinc/38/37/88/1097383788.db2.gz RBCWMLKPNKOTHB-UHFFFAOYSA-N -2 1 349.714 2.691 20 30 EFEDML Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc(F)c1C(=O)[O-] ZINC001607551948 1097659307 /nfs/dbraw/zinc/65/93/07/1097659307.db2.gz BDJVPSAGNHFSCN-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000023371051 212371860 /nfs/dbraw/zinc/37/18/60/212371860.db2.gz CVMJOZUOHOFLTQ-UHFFFAOYSA-N -2 1 329.377 2.784 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C(=O)[O-])c1 ZINC000427205415 247328990 /nfs/dbraw/zinc/32/89/90/247328990.db2.gz SOBMVPGUUPPYIU-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1C#N ZINC000427286903 247334470 /nfs/dbraw/zinc/33/44/70/247334470.db2.gz COFZOJGCJPEAHH-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000431198694 247880090 /nfs/dbraw/zinc/88/00/90/247880090.db2.gz UYDXMXYKMBZQSC-UHFFFAOYSA-N -2 1 344.392 2.685 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000531125836 267248297 /nfs/dbraw/zinc/24/82/97/267248297.db2.gz OGZCLRMDCRRBRQ-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355851448 301172592 /nfs/dbraw/zinc/17/25/92/301172592.db2.gz YHOYMYYUPGDOHG-UHFFFAOYSA-N -2 1 344.392 2.869 20 30 EFEDML N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000013263479 471823604 /nfs/dbraw/zinc/82/36/04/471823604.db2.gz YZNBRJQYZCOURQ-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)c(C)c1C(=O)[O-] ZINC000156263633 472685094 /nfs/dbraw/zinc/68/50/94/472685094.db2.gz NRDKPNBALHFUOF-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML C=CCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000274976772 474027277 /nfs/dbraw/zinc/02/72/77/474027277.db2.gz AHJADMMRANDQLS-UHFFFAOYSA-N -2 1 339.291 2.601 20 30 EFEDML N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000318669424 474891490 /nfs/dbraw/zinc/89/14/90/474891490.db2.gz JGEDTRZUCICJEL-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000327145295 475017777 /nfs/dbraw/zinc/01/77/77/475017777.db2.gz WSAYJSWXGQAJNP-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C(=O)[O-] ZINC000336872796 476156091 /nfs/dbraw/zinc/15/60/91/476156091.db2.gz PVTHFZMHAUHAGM-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML CCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(C(=O)[O-])c1 ZINC000475810394 478018403 /nfs/dbraw/zinc/01/84/03/478018403.db2.gz OYMXGGHPHNLVFX-UHFFFAOYSA-N -2 1 344.392 2.814 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000582881681 478708470 /nfs/dbraw/zinc/70/84/70/478708470.db2.gz KQFLQGZFVBOWOI-UHFFFAOYSA-N -2 1 348.355 2.759 20 30 EFEDML CCCCCCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000755148093 575550963 /nfs/dbraw/zinc/55/09/63/575550963.db2.gz UUHSLLPTJJSLLN-UHFFFAOYSA-N -2 1 332.404 2.835 20 30 EFEDML O=C([O-])CCOc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1 ZINC000757468890 575840098 /nfs/dbraw/zinc/84/00/98/575840098.db2.gz YZQSYGWZDNVBGW-XQRVVYSFSA-N -2 1 328.320 2.847 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1cc(C#N)cc(Cl)n1)O2 ZINC000768382047 577270475 /nfs/dbraw/zinc/27/04/75/577270475.db2.gz PKZRABIXLVGLNE-UHFFFAOYSA-N -2 1 328.715 2.621 20 30 EFEDML Cc1nnc([S-])n(N=Cc2cc(Cl)c3ccccc3c2[O-])c1=O ZINC000774573989 581494453 /nfs/dbraw/zinc/49/44/53/581494453.db2.gz QSAFEKWIGMNKHZ-UHFFFAOYSA-N -2 1 346.799 2.630 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1 ZINC000738202933 600693610 /nfs/dbraw/zinc/69/36/10/600693610.db2.gz BVACBGXZHWJMRM-UHFFFAOYSA-N -2 1 345.380 2.782 20 30 EFEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000179029353 604398773 /nfs/dbraw/zinc/39/87/73/604398773.db2.gz QMRMZGHZKRMMCX-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML O=C([O-])CCOc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1 ZINC000746684016 1275783291 /nfs/dbraw/zinc/78/32/91/1275783291.db2.gz JDLOUMQYOPDIAG-CXUHLZMHSA-N -2 1 326.304 2.862 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(C#N)c1 ZINC001185905891 1290782061 /nfs/dbraw/zinc/78/20/61/1290782061.db2.gz AHUOYQZTPIWBRC-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(C#N)c2)c1 ZINC001189610721 1291782804 /nfs/dbraw/zinc/78/28/04/1291782804.db2.gz MIBOTKORQBJZMW-UHFFFAOYSA-N -2 1 338.772 2.727 20 30 EFEDML N#Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC001198730341 1295209798 /nfs/dbraw/zinc/20/97/98/1295209798.db2.gz LPDXMEMYIOFTRV-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198778186 1295248999 /nfs/dbraw/zinc/24/89/99/1295248999.db2.gz BZUYFQPYANTUKV-UHFFFAOYSA-N -2 1 344.392 2.987 20 30 EFEDML C#C[C@@H](C)Oc1cc2c(cc1O)oc1cc([O-])cc(OC)c1c2=O ZINC001234799796 1313193402 /nfs/dbraw/zinc/19/34/02/1313193402.db2.gz UYTXFOHYMIVSPU-SECBINFHSA-N -2 1 326.304 2.767 20 30 EFEDML Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(OC3CC(C#N)C3)c1C2=O ZINC001227993879 1311886175 /nfs/dbraw/zinc/88/61/75/1311886175.db2.gz GXCZXGSECOCYHV-UHFFFAOYSA-N -2 1 349.342 2.863 20 30 EFEDML Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189731 1316321853 /nfs/dbraw/zinc/32/18/53/1316321853.db2.gz ZXXQUQAMBMWAOQ-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821837365 1424683840 /nfs/dbraw/zinc/68/38/40/1424683840.db2.gz CUKJLXJSIBQCTN-HWKANZROSA-N -2 1 328.353 2.539 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821837365 1424683846 /nfs/dbraw/zinc/68/38/46/1424683846.db2.gz CUKJLXJSIBQCTN-HWKANZROSA-N -2 1 328.353 2.539 20 30 EFEDML O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826461627 1425524493 /nfs/dbraw/zinc/52/44/93/1425524493.db2.gz BISHRNGRMUVPPA-FPYGCLRLSA-N -2 1 338.298 2.600 20 30 EFEDML O=[N+]([O-])c1cc(Cl)cc(C=Nc2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000920944669 1426023781 /nfs/dbraw/zinc/02/37/81/1426023781.db2.gz RBDFBYFVZFABBN-UHFFFAOYSA-N -2 1 344.718 2.885 20 30 EFEDML CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1[O-] ZINC000819772880 1427516148 /nfs/dbraw/zinc/51/61/48/1427516148.db2.gz MDCYBZSKIVXPEO-UHFFFAOYSA-N -2 1 330.298 2.687 20 30 EFEDML CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1[O-] ZINC000819772880 1427516152 /nfs/dbraw/zinc/51/61/52/1427516152.db2.gz MDCYBZSKIVXPEO-UHFFFAOYSA-N -2 1 330.298 2.687 20 30 EFEDML O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000823387466 1429823437 /nfs/dbraw/zinc/82/34/37/1429823437.db2.gz KYAVCLGYHJPEMX-ONEGZZNKSA-N -2 1 344.327 2.662 20 30 EFEDML O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([O-])c(F)c1 ZINC000826400570 1443666404 /nfs/dbraw/zinc/66/64/04/1443666404.db2.gz BMJCPZJRMZHDCK-DJWKRKHSSA-N -2 1 328.278 2.747 20 30 EFEDML CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(=O)[O-])c(F)c1 ZINC000823958475 1443799308 /nfs/dbraw/zinc/79/93/08/1443799308.db2.gz ODRWABRGSCFKEU-UHFFFAOYSA-N -2 1 340.318 2.540 20 30 EFEDML O=C([O-])c1cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737797493 1450258553 /nfs/dbraw/zinc/25/85/53/1450258553.db2.gz IZFXGSHXNKAUFH-PLNGDYQASA-N -2 1 326.337 2.523 20 30 EFEDML C=CCCC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-] ZINC000910914235 727471674 /nfs/dbraw/zinc/47/16/74/727471674.db2.gz DUDSZYANPOTUAR-NSHDSACASA-N -2 1 327.764 2.594 20 30 EFEDML C=CCOc1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001588877527 984453887 /nfs/dbraw/zinc/45/38/87/984453887.db2.gz XUSQENPYVGSCJT-UHFFFAOYSA-N -2 1 333.365 2.750 20 30 EFEDML CC(C)(C)c1nc(NC(=O)c2cc([O-])cc(C#N)c2)sc1C(=O)[O-] ZINC001590544503 1093481260 /nfs/dbraw/zinc/48/12/60/1093481260.db2.gz GJQFXLXZDSVZOQ-UHFFFAOYSA-N -2 1 345.380 2.968 20 30 EFEDML CCCCCC[C@@](C)(CC)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001590590027 1093502257 /nfs/dbraw/zinc/50/22/57/1093502257.db2.gz MBIGMIDRKFBIRP-MRXNPFEDSA-N -2 1 344.423 2.787 20 30 EFEDML CCCCCCCCCC(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001590592864 1093506857 /nfs/dbraw/zinc/50/68/57/1093506857.db2.gz NEVHFMKFWBVELF-UHFFFAOYSA-N -2 1 330.396 2.541 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2C)ccc1C#N ZINC001600301252 1094952934 /nfs/dbraw/zinc/95/29/34/1094952934.db2.gz VPTCRCSNUPRFQR-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1C ZINC001600327912 1094976499 /nfs/dbraw/zinc/97/64/99/1094976499.db2.gz IEOSRXSQKCNLOZ-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML N#CCc1cccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC001601078460 1095494610 /nfs/dbraw/zinc/49/46/10/1095494610.db2.gz YBCLKHYSKVQPJH-UHFFFAOYSA-N -2 1 344.392 2.571 20 30 EFEDML N#Cc1cc([O-])cc(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC001601088821 1095501221 /nfs/dbraw/zinc/50/12/21/1095501221.db2.gz GIFLCNMYCDMVNT-IRXDYDNUSA-N -2 1 336.347 2.694 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)cc1 ZINC001601113246 1095518125 /nfs/dbraw/zinc/51/81/25/1095518125.db2.gz PPCLSRAIDUOJMH-UHFFFAOYSA-N -2 1 341.348 2.539 20 30 EFEDML C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001602856925 1096387844 /nfs/dbraw/zinc/38/78/44/1096387844.db2.gz KBDWNHNAJHFCKL-UHFFFAOYSA-N -2 1 333.356 2.686 20 30 EFEDML N#Cc1cc(C#N)cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1 ZINC001167936217 1097351741 /nfs/dbraw/zinc/35/17/41/1097351741.db2.gz JDKONZFGVOHTJK-UHFFFAOYSA-N -2 1 339.291 2.515 20 30 EFEDML N#Cc1c(F)cccc1C(=O)Nc1cc(CCC(=O)[O-])ccc1[O-] ZINC001608194367 1097857307 /nfs/dbraw/zinc/85/73/07/1097857307.db2.gz OFPUDGWHZCGPHE-UHFFFAOYSA-N -2 1 328.299 2.672 20 30 EFEDML CCCc1cc(=O)[n-]c(SCc2cccc(C(=O)[O-])c2C#N)n1 ZINC001609984986 1098513925 /nfs/dbraw/zinc/51/39/25/1098513925.db2.gz FEXMTANSQCBERY-UHFFFAOYSA-N -2 1 329.381 2.997 20 30 EFEDML N#Cc1c(COC(=O)c2c([O-])cc(F)cc2F)cccc1C(=O)[O-] ZINC001610624917 1098790573 /nfs/dbraw/zinc/79/05/73/1098790573.db2.gz IJAZYOCGRKCSOB-UHFFFAOYSA-N -2 1 333.246 2.597 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000075572937 202380818 /nfs/dbraw/zinc/38/08/18/202380818.db2.gz DPPPALPEDDKOLW-UHFFFAOYSA-N -2 1 348.355 2.759 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000530957198 267247156 /nfs/dbraw/zinc/24/71/56/267247156.db2.gz BGWPMZCYZYXEAJ-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000531364785 267248379 /nfs/dbraw/zinc/24/83/79/267248379.db2.gz AMLYJYUAQYVBPU-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000548200391 318084201 /nfs/dbraw/zinc/08/42/01/318084201.db2.gz MCBSXPVWTDSVAB-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000055548581 472202521 /nfs/dbraw/zinc/20/25/21/472202521.db2.gz PFERBVHDXROBDI-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1 ZINC000060360615 472646604 /nfs/dbraw/zinc/64/66/04/472646604.db2.gz RLAQTGLCRNMNSG-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc(C(=O)[O-])c1C ZINC000179028168 473615186 /nfs/dbraw/zinc/61/51/86/473615186.db2.gz HFNXJLUDBSMMAN-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000181770636 474061693 /nfs/dbraw/zinc/06/16/93/474061693.db2.gz GXGRTEBTYULBJT-LBPRGKRZSA-N -2 1 344.392 2.937 20 30 EFEDML C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000184653465 474576224 /nfs/dbraw/zinc/57/62/24/474576224.db2.gz GCLNZMAOKLSIHM-LBPRGKRZSA-N -2 1 344.392 2.622 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)ccc1C#N ZINC000324120058 474960090 /nfs/dbraw/zinc/96/00/90/474960090.db2.gz SLMZPFRRLUQVCH-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc(C(=O)[O-])c1C ZINC000348477008 475688750 /nfs/dbraw/zinc/68/87/50/475688750.db2.gz POZQLPSDDFNBBB-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000416957285 477386576 /nfs/dbraw/zinc/38/65/76/477386576.db2.gz NOQWAAZMWIXOBQ-ZETCQYMHSA-N -2 1 337.184 2.735 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619463248 479801202 /nfs/dbraw/zinc/80/12/02/479801202.db2.gz YLHWOLCGEFQPCU-UHFFFAOYSA-N -2 1 344.392 2.869 20 30 EFEDML O=C([O-])CCOc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1 ZINC000757467815 575839886 /nfs/dbraw/zinc/83/98/86/575839886.db2.gz MWHMUUNIROLSLP-CLTKARDFSA-N -2 1 328.320 2.847 20 30 EFEDML C[C@H](Oc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1)C(=O)[O-] ZINC000757467888 575839917 /nfs/dbraw/zinc/83/99/17/575839917.db2.gz NZHJHFVXUCQXOY-ZRQQLDRUSA-N -2 1 328.320 2.846 20 30 EFEDML COC(=O)c1ccc([O-])c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000726738114 577383026 /nfs/dbraw/zinc/38/30/26/577383026.db2.gz QYLBMVVWKDAKQP-UHFFFAOYSA-N -2 1 348.742 2.976 20 30 EFEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832849400 604399450 /nfs/dbraw/zinc/39/94/50/604399450.db2.gz GDYPZMQNUQNNNN-YFHOEESVSA-N -2 1 342.376 2.765 20 30 EFEDML C[C@@H](Oc1cccc(CN=Nc2ccccc2C(=O)[O-])c1)C(=O)[O-] ZINC000746682110 605097224 /nfs/dbraw/zinc/09/72/24/605097224.db2.gz KNRWTDRAJXYTHJ-LLVKDONJSA-N -2 1 328.324 2.683 20 30 EFEDML C[C@@H](Oc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1)C(=O)[O-] ZINC000746684383 1275783302 /nfs/dbraw/zinc/78/33/02/1275783302.db2.gz ONRDNQQYYRSRIK-LYQMGENXSA-N -2 1 326.304 2.860 20 30 EFEDML CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(OCCCC(=O)[O-])c1 ZINC000814681383 1286890579 /nfs/dbraw/zinc/89/05/79/1286890579.db2.gz JENDNTHRYHKFRD-UHFFFAOYSA-N -2 1 344.371 2.570 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc(C(=O)[O-])c1F ZINC000132994663 1293739968 /nfs/dbraw/zinc/73/99/68/1293739968.db2.gz YWCKLEJLCGNUHY-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc(C(=O)[O-])c1F ZINC000133030599 1293753234 /nfs/dbraw/zinc/75/32/34/1293753234.db2.gz TVVYOZKSNIFBIT-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(C(=O)[O-])ccc1OC(C)C ZINC000853254308 1300070156 /nfs/dbraw/zinc/07/01/56/1300070156.db2.gz QNMVRUWASSPSEC-UHFFFAOYSA-N -2 1 344.371 2.812 20 30 EFEDML CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc([O-])c(C#N)c1 ZINC001242565754 1314216080 /nfs/dbraw/zinc/21/60/80/1314216080.db2.gz BUZORZRCOGZHOD-UHFFFAOYSA-N -2 1 342.380 2.769 20 30 EFEDML N#Cc1nc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])[n-]c1C#N ZINC001163738578 1312375446 /nfs/dbraw/zinc/37/54/46/1312375446.db2.gz VCTDEWUUFJNHML-UHFFFAOYSA-N -2 1 343.346 2.702 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccc(C(C)(C)C)nn1)O2 ZINC001328716139 1330619840 /nfs/dbraw/zinc/61/98/40/1330619840.db2.gz QPSJKGUWVGYZLC-UHFFFAOYSA-N -2 1 326.356 2.789 20 30 EFEDML COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c([O-])c1 ZINC000821770509 1429199939 /nfs/dbraw/zinc/19/99/39/1429199939.db2.gz VPDZEZFGPSERPY-HYXAFXHYSA-N -2 1 328.353 2.539 20 30 EFEDML O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399674 1426029522 /nfs/dbraw/zinc/02/95/22/1426029522.db2.gz CAJAJOZYGZVGDF-RJRFIUFISA-N -2 1 346.268 2.886 20 30 EFEDML COc1ccc(C=CC(=O)c2cc(C)ccc2[O-])cc1-c1nn[n-]n1 ZINC000821786621 1426334531 /nfs/dbraw/zinc/33/45/31/1426334531.db2.gz GQWJXZCXUCDYOQ-DAXSKMNVSA-N -2 1 336.351 2.785 20 30 EFEDML COc1ccc(C=CC(=O)c2cc(C)ccc2[O-])cc1-c1nnn[n-]1 ZINC000821786621 1426334537 /nfs/dbraw/zinc/33/45/37/1426334537.db2.gz GQWJXZCXUCDYOQ-DAXSKMNVSA-N -2 1 336.351 2.785 20 30 EFEDML CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962608 1426529512 /nfs/dbraw/zinc/52/95/12/1426529512.db2.gz MOYADKMEMVFLIT-UHFFFAOYSA-N -2 1 340.318 2.540 20 30 EFEDML O=C([O-])c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000823386984 1446257009 /nfs/dbraw/zinc/25/70/09/1446257009.db2.gz ADVGSLXVRBZHDE-ZROIWOOFSA-N -2 1 346.346 2.777 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC000325558026 713766001 /nfs/dbraw/zinc/76/60/01/713766001.db2.gz JISQOIKPYAVTML-UHFFFAOYSA-N -2 1 341.388 2.585 20 30 EFEDML C=CCCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C(=O)[O-] ZINC000910914234 727471638 /nfs/dbraw/zinc/47/16/38/727471638.db2.gz DUDSZYANPOTUAR-LLVKDONJSA-N -2 1 327.764 2.594 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793351225 978802824 /nfs/dbraw/zinc/80/28/24/978802824.db2.gz AAEODTYMPZYOBU-UHFFFAOYSA-N -2 1 333.340 2.614 20 30 EFEDML CCCCCCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001595704829 982279976 /nfs/dbraw/zinc/27/99/76/982279976.db2.gz ZJZAPXWZADFTPQ-UHFFFAOYSA-N -2 1 335.372 2.912 20 30 EFEDML C=CCCC[C@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC001588793416 984218855 /nfs/dbraw/zinc/21/88/55/984218855.db2.gz XLDBLEKQQATUPW-NSHDSACASA-N -2 1 342.189 2.694 20 30 EFEDML CC(C)(C(=O)[O-])[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001589599423 987422801 /nfs/dbraw/zinc/42/28/01/987422801.db2.gz WMWVGMQDUUJAIK-MRXNPFEDSA-N -2 1 338.363 2.846 20 30 EFEDML O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001593281949 1094263838 /nfs/dbraw/zinc/26/38/38/1094263838.db2.gz OKACYJKQSROQBJ-UPHRSURJSA-N -2 1 332.366 2.584 20 30 EFEDML O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001593281949 1094263844 /nfs/dbraw/zinc/26/38/44/1094263844.db2.gz OKACYJKQSROQBJ-UPHRSURJSA-N -2 1 332.366 2.584 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001600328484 1094975728 /nfs/dbraw/zinc/97/57/28/1094975728.db2.gz JDPJJTAIHDCUCN-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML N#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC001601121673 1095527279 /nfs/dbraw/zinc/52/72/79/1095527279.db2.gz RBYCAMORLFESNG-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML C=CCC1([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CCCC1 ZINC001602851410 1096384449 /nfs/dbraw/zinc/38/44/49/1096384449.db2.gz KELDZCPMRZBZIU-UHFFFAOYSA-N -2 1 345.367 2.830 20 30 EFEDML C/C(=N\O)c1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc1 ZINC001167937640 1097369273 /nfs/dbraw/zinc/36/92/73/1097369273.db2.gz GHNYRYKBQRDQMP-XDHOZWIPSA-N -2 1 346.323 2.970 20 30 EFEDML O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1cc(Cl)ccc1[O-] ZINC001606487117 1097406587 /nfs/dbraw/zinc/40/65/87/1097406587.db2.gz GLNDWWRHBYPNIZ-ARJAWSKDSA-N -2 1 333.760 2.578 20 30 EFEDML O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1cc(Cl)ccc1[O-] ZINC001606487117 1097406592 /nfs/dbraw/zinc/40/65/92/1097406592.db2.gz GLNDWWRHBYPNIZ-ARJAWSKDSA-N -2 1 333.760 2.578 20 30 EFEDML C[C@](CC(=O)[O-])(NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(F)c1 ZINC001609728615 1098440278 /nfs/dbraw/zinc/44/02/78/1098440278.db2.gz KMCNRSRXHUIMDJ-GOSISDBHSA-N -2 1 342.326 2.523 20 30 EFEDML C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1)C(=O)[O-] ZINC001609742736 1098444543 /nfs/dbraw/zinc/44/45/43/1098444543.db2.gz ZWDVSMHSHOXAMX-CYBMUJFWSA-N -2 1 338.363 2.627 20 30 EFEDML CCOC(=O)Nc1ccc(NC(=O)c2c([O-])cccc2O)cc1C#N ZINC000494471015 267129217 /nfs/dbraw/zinc/12/92/17/267129217.db2.gz OQFVWMHWBYQMBR-UHFFFAOYSA-N -2 1 341.323 2.790 20 30 EFEDML C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000181770656 474061519 /nfs/dbraw/zinc/06/15/19/474061519.db2.gz GXGRTEBTYULBJT-GFCCVEGCSA-N -2 1 344.392 2.937 20 30 EFEDML C=CCCCS(=O)(=O)Nc1nc(SCc2ccccc2)n[nH]1 ZINC000291909177 474747653 /nfs/dbraw/zinc/74/76/53/474747653.db2.gz RYUPNYSWMDBWJJ-UHFFFAOYSA-N -2 1 338.458 2.805 20 30 EFEDML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000316722769 474881534 /nfs/dbraw/zinc/88/15/34/474881534.db2.gz UIDJNJGNXDTTFO-UHFFFAOYSA-N -2 1 336.394 2.622 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000320492051 474913131 /nfs/dbraw/zinc/91/31/31/474913131.db2.gz UZBRFMWTKHNJMO-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000320514177 474913762 /nfs/dbraw/zinc/91/37/62/474913762.db2.gz ZGORZHDHVFHHBN-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1F ZINC000324426439 474969280 /nfs/dbraw/zinc/96/92/80/474969280.db2.gz OUVSPHXIKLGGSP-UHFFFAOYSA-N -2 1 348.355 2.515 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000336864769 476147875 /nfs/dbraw/zinc/14/78/75/476147875.db2.gz ROXHDRUGZQYTSC-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000443421900 476715029 /nfs/dbraw/zinc/71/50/29/476715029.db2.gz YNUMYCUQPNWMIT-UHFFFAOYSA-N -2 1 334.397 2.643 20 30 EFEDML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461837 479799988 /nfs/dbraw/zinc/79/99/88/479799988.db2.gz RBCGFCQIPDIAST-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC000060360614 524307288 /nfs/dbraw/zinc/30/72/88/524307288.db2.gz KUGKBYMLMPXWGW-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML COc1ccc([O-])c(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c1 ZINC000757467374 575839830 /nfs/dbraw/zinc/83/98/30/575839830.db2.gz DRULZPDXCALCDL-ALCCZGGFSA-N -2 1 328.320 2.760 20 30 EFEDML C#CCOc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000736089421 599908155 /nfs/dbraw/zinc/90/81/55/599908155.db2.gz KVCUYXAWIAPLPI-UHFFFAOYSA-N -2 1 345.376 2.506 20 30 EFEDML N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000739139823 600101033 /nfs/dbraw/zinc/10/10/33/600101033.db2.gz KNPHHBLUJMUMIG-UHFFFAOYSA-N -2 1 335.316 2.588 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000738319524 600693788 /nfs/dbraw/zinc/69/37/88/600693788.db2.gz LTNLSZAXFJVIRA-UHFFFAOYSA-N -2 1 349.343 2.897 20 30 EFEDML C[C@@H](Oc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1)C(=O)[O-] ZINC000794697205 602108094 /nfs/dbraw/zinc/10/80/94/602108094.db2.gz KRZHZKAWTDDXDR-NUEDXCKTSA-N -2 1 326.304 2.860 20 30 EFEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832848481 604399397 /nfs/dbraw/zinc/39/93/97/604399397.db2.gz DZEGSXAJRSUHAY-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])c(F)c1 ZINC000833747563 605265608 /nfs/dbraw/zinc/26/56/08/605265608.db2.gz WGPXEMJNSDUODT-UHFFFAOYSA-N -2 1 349.343 2.897 20 30 EFEDML O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)s1 ZINC000823387554 606389665 /nfs/dbraw/zinc/38/96/65/606389665.db2.gz OOONJSBEUUTMGY-IWQZZHSRSA-N -2 1 332.366 2.584 20 30 EFEDML O=C([O-])c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c(O)c1 ZINC000806558546 1281094776 /nfs/dbraw/zinc/09/47/76/1281094776.db2.gz GBTOUSDOLJRSIY-KXFIGUGUSA-N -2 1 329.264 2.600 20 30 EFEDML CCCCCCC[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000806637891 1281119402 /nfs/dbraw/zinc/11/94/02/1281119402.db2.gz YXGVZZOFJUQANE-LBPRGKRZSA-N -2 1 342.417 2.633 20 30 EFEDML C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])c1ccccc1 ZINC001148935227 1281814462 /nfs/dbraw/zinc/81/44/62/1281814462.db2.gz ZKCYLKSEBBPQNG-OAHLLOKOSA-N -2 1 347.392 2.686 20 30 EFEDML Cc1cc(=O)[n-]c(NN=C2CCCCc3cc(C(=O)[O-])ccc32)n1 ZINC000811628668 1284443773 /nfs/dbraw/zinc/44/37/73/1284443773.db2.gz HXSWNEYGVUKMQO-UHFFFAOYSA-N -2 1 326.356 2.731 20 30 EFEDML Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192100105 1292773794 /nfs/dbraw/zinc/77/37/94/1292773794.db2.gz KOFVPUWJXNNODJ-UHFFFAOYSA-N -2 1 344.392 2.685 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C#N ZINC001192139574 1292807765 /nfs/dbraw/zinc/80/77/65/1292807765.db2.gz ZJWNCDVFYGGJQZ-UHFFFAOYSA-N -2 1 344.392 2.685 20 30 EFEDML N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001196679634 1294314572 /nfs/dbraw/zinc/31/45/72/1294314572.db2.gz DYOKPUGOWONZDM-UHFFFAOYSA-N -2 1 326.736 2.857 20 30 EFEDML C#C[C@@H](COc1cccc(Cl)c1)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226786360 1311723111 /nfs/dbraw/zinc/72/31/11/1311723111.db2.gz PZYPZEYUIJLDKZ-JTQLQIEISA-N -2 1 346.799 2.755 20 30 EFEDML C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260400410 1316337470 /nfs/dbraw/zinc/33/74/70/1316337470.db2.gz ZLXCCCNILHMRKZ-UHFFFAOYSA-N -2 1 333.365 2.924 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)O2 ZINC000822210917 1428112044 /nfs/dbraw/zinc/11/20/44/1428112044.db2.gz WKMPICMOLKITAV-LFYBBSHMSA-N -2 1 326.337 2.558 20 30 EFEDML O=C(C=Cc1cc(F)c([O-])c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822923084 1441477990 /nfs/dbraw/zinc/47/79/90/1441477990.db2.gz NRRNPAWXXNCBJT-SNAWJCMRSA-N -2 1 328.278 2.747 20 30 EFEDML COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c([O-])c1 ZINC000826187212 1441758456 /nfs/dbraw/zinc/75/84/56/1441758456.db2.gz GDZPLHSERJMMIX-XVNBXDOJSA-N -2 1 340.314 2.616 20 30 EFEDML O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400284 1442064089 /nfs/dbraw/zinc/06/40/89/1442064089.db2.gz UXAMNBUZOWAJRJ-OWOJBTEDSA-N -2 1 334.307 2.808 20 30 EFEDML COc1ccc(C=CC(=O)c2ccc(C)cc2[O-])cc1-c1nnn[n-]1 ZINC000821786590 1443345328 /nfs/dbraw/zinc/34/53/28/1443345328.db2.gz FXLSJOPPCBKHHK-QPJJXVBHSA-N -2 1 336.351 2.785 20 30 EFEDML O=C([O-])c1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000826400650 1446889119 /nfs/dbraw/zinc/88/91/19/1446889119.db2.gz DMNMBFBIEYITCQ-DUXPYHPUSA-N -2 1 344.327 2.662 20 30 EFEDML O=C([O-])c1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cs1 ZINC000822927836 1449684951 /nfs/dbraw/zinc/68/49/51/1449684951.db2.gz BKJHJHKDJFCXJL-IWQZZHSRSA-N -2 1 332.366 2.584 20 30 EFEDML COc1ccc(O)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826210469 1450512965 /nfs/dbraw/zinc/51/29/65/1450512965.db2.gz SQQXGXPRWUVRKF-ZZXKWVIFSA-N -2 1 340.314 2.616 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826210469 1450512968 /nfs/dbraw/zinc/51/29/68/1450512968.db2.gz SQQXGXPRWUVRKF-ZZXKWVIFSA-N -2 1 340.314 2.616 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826210469 1450512972 /nfs/dbraw/zinc/51/29/72/1450512972.db2.gz SQQXGXPRWUVRKF-ZZXKWVIFSA-N -2 1 340.314 2.616 20 30 EFEDML N#CCCN(CCC#N)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728194208 723841991 /nfs/dbraw/zinc/84/19/91/723841991.db2.gz JNYWHXJVIBZUHT-UHFFFAOYSA-N -2 1 349.390 2.958 20 30 EFEDML CC(N=Nc1ccc(C(=O)[O-])cc1)c1cccc(OCC(=O)[O-])c1 ZINC000916240727 727668599 /nfs/dbraw/zinc/66/85/99/727668599.db2.gz LOPGEOPTEFGTPL-UHFFFAOYSA-N -2 1 328.324 2.684 20 30 EFEDML N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000013262599 957001288 /nfs/dbraw/zinc/00/12/88/957001288.db2.gz MXHZZOBOALMAFM-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000013340774 957026122 /nfs/dbraw/zinc/02/61/22/957026122.db2.gz PKWQIELKHMZTJX-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000793348917 978802952 /nfs/dbraw/zinc/80/29/52/978802952.db2.gz GDYASRBLOQQJQJ-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001597593034 988425104 /nfs/dbraw/zinc/42/51/04/988425104.db2.gz LHIRDWHOZXRNMO-UHFFFAOYSA-N -2 1 348.355 2.759 20 30 EFEDML N#Cc1cc([O-])cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC001601088861 1095501157 /nfs/dbraw/zinc/50/11/57/1095501157.db2.gz HGBUCMJSDWBACZ-UHFFFAOYSA-N -2 1 342.376 2.834 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])ccc1C#N ZINC000324196131 267360320 /nfs/dbraw/zinc/36/03/20/267360320.db2.gz PNIQBHNZYPZCQI-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000047318047 472688793 /nfs/dbraw/zinc/68/87/93/472688793.db2.gz YZRBXKDYPSVLCM-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000181773202 474063259 /nfs/dbraw/zinc/06/32/59/474063259.db2.gz VJCKPWLLSBMUIW-GFCCVEGCSA-N -2 1 344.392 2.937 20 30 EFEDML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000337867537 475390059 /nfs/dbraw/zinc/39/00/59/475390059.db2.gz OVUPFWDEOZIHEH-UHFFFAOYSA-N -2 1 348.355 2.699 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc(C(=O)[O-])c1 ZINC000350512273 476223022 /nfs/dbraw/zinc/22/30/22/476223022.db2.gz HYPCIVBZILBYNP-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1 ZINC000619462276 479799964 /nfs/dbraw/zinc/79/99/64/479799964.db2.gz XKMOXRAGNZYBDH-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML CCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1 ZINC000619462676 479800479 /nfs/dbraw/zinc/80/04/79/479800479.db2.gz ANBAHGKRTDXMMT-UHFFFAOYSA-N -2 1 344.392 2.814 20 30 EFEDML CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1C(=O)[O-] ZINC000178765998 524015460 /nfs/dbraw/zinc/01/54/60/524015460.db2.gz KFGDSUQOKFJDDO-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML O=C([O-])c1ccc(N=NCc2cccc(Br)c2[O-])nc1 ZINC000763371477 576374603 /nfs/dbraw/zinc/37/46/03/576374603.db2.gz BMQABUOTHKFBGM-UHFFFAOYSA-N -2 1 336.145 2.694 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ncnc3ccsc31)O2 ZINC000764839311 576510123 /nfs/dbraw/zinc/51/01/23/576510123.db2.gz BBDIQYDQLLANBQ-UHFFFAOYSA-N -2 1 326.337 2.706 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1 ZINC000738251322 577360367 /nfs/dbraw/zinc/36/03/67/577360367.db2.gz LDKGDHBQLMQART-UHFFFAOYSA-N -2 1 345.380 2.782 20 30 EFEDML C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000736089246 600893078 /nfs/dbraw/zinc/89/30/78/600893078.db2.gz IRUHYSWTPQUYOT-UHFFFAOYSA-N -2 1 345.376 2.506 20 30 EFEDML COc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000103158853 1272790874 /nfs/dbraw/zinc/79/08/74/1272790874.db2.gz FYBJHNWSHGPXBI-NSIKDUERSA-N -2 1 329.264 2.631 20 30 EFEDML C=CCCCCCCNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000805220327 1280491648 /nfs/dbraw/zinc/49/16/48/1280491648.db2.gz MDIIFWSNJIWNRV-UHFFFAOYSA-N -2 1 330.388 2.611 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000133744514 1293991954 /nfs/dbraw/zinc/99/19/54/1293991954.db2.gz KFEAHGIRKAMCMN-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML C[C@@H](C#N)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198779708 1295248785 /nfs/dbraw/zinc/24/87/85/1295248785.db2.gz UWTJPSRMPPPSHC-NSHDSACASA-N -2 1 330.365 2.813 20 30 EFEDML C#C[C@H](CC)Oc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O ZINC001227993597 1311886020 /nfs/dbraw/zinc/88/60/20/1311886020.db2.gz CXCOFFMSNVTARS-GFCCVEGCSA-N -2 1 336.343 2.972 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1[O-] ZINC001251005906 1315309178 /nfs/dbraw/zinc/30/91/78/1315309178.db2.gz RBVSWHGEWNIZTN-UHFFFAOYSA-N -2 1 325.349 2.613 20 30 EFEDML C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000316576764 1315468193 /nfs/dbraw/zinc/46/81/93/1315468193.db2.gz GYIWZWGHDVSLTM-ZCFIWIBFSA-N -2 1 344.241 2.753 20 30 EFEDML CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260227598 1316324332 /nfs/dbraw/zinc/32/43/32/1316324332.db2.gz FICYWVZMFSYDLB-UHFFFAOYSA-N -2 1 344.392 2.987 20 30 EFEDML CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228207 1316324808 /nfs/dbraw/zinc/32/48/08/1316324808.db2.gz KRDXGBDMCFLWLK-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000823387465 1427970171 /nfs/dbraw/zinc/97/01/71/1427970171.db2.gz KYAVCLGYHJPEMX-ARJAWSKDSA-N -2 1 344.327 2.662 20 30 EFEDML O=C([O-])c1cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737797494 1428011672 /nfs/dbraw/zinc/01/16/72/1428011672.db2.gz IZFXGSHXNKAUFH-SNAWJCMRSA-N -2 1 326.337 2.523 20 30 EFEDML O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826461980 1441744850 /nfs/dbraw/zinc/74/48/50/1441744850.db2.gz LFHCCNWSHDVRET-UTCJRWHESA-N -2 1 326.337 2.523 20 30 EFEDML C=CCCC[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000910914787 727471788 /nfs/dbraw/zinc/47/17/88/727471788.db2.gz KFSDTFSSJLFVIZ-LBPRGKRZSA-N -2 1 341.791 2.984 20 30 EFEDML N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(CCC(=O)[O-])c1 ZINC001605601459 973903814 /nfs/dbraw/zinc/90/38/14/973903814.db2.gz KLLGNFSYRHOHCX-UHFFFAOYSA-N -2 1 344.392 2.571 20 30 EFEDML CC(C)c1sc(NC(=O)c2cc([O-])cc(C#N)c2)nc1C(=O)[O-] ZINC001592115065 976911968 /nfs/dbraw/zinc/91/19/68/976911968.db2.gz RTESALBJWXFZHX-UHFFFAOYSA-N -2 1 331.353 2.794 20 30 EFEDML C=C(CCC(=O)[O-])C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC001588629823 983739396 /nfs/dbraw/zinc/73/93/96/983739396.db2.gz VSLCPJIANBGEGT-UHFFFAOYSA-N -2 1 328.162 2.823 20 30 EFEDML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC001597594831 988434174 /nfs/dbraw/zinc/43/41/74/988434174.db2.gz WUFUPWIJLRWPRW-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML CCCCCC[C@](C)(CC)C(=O)Nc1nc(-c2nn[n-]n2)c(C#N)[n-]1 ZINC001590590026 1093503637 /nfs/dbraw/zinc/50/36/37/1093503637.db2.gz MBIGMIDRKFBIRP-INIZCTEOSA-N -2 1 344.423 2.787 20 30 EFEDML N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(C(=O)[O-])o1 ZINC001601047120 1095478100 /nfs/dbraw/zinc/47/81/00/1095478100.db2.gz JLUKGRDOOIDLLE-SNVBAGLBSA-N -2 1 332.699 2.592 20 30 EFEDML C#CC[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001602684631 1096350137 /nfs/dbraw/zinc/35/01/37/1096350137.db2.gz CFSSRDWKGZKALP-SNVBAGLBSA-N -2 1 336.121 2.678 20 30 EFEDML Cc1cccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1C#N ZINC001167935899 1097348996 /nfs/dbraw/zinc/34/89/96/1097348996.db2.gz FIAAFFBRQAHKCF-UHFFFAOYSA-N -2 1 328.308 2.951 20 30 EFEDML CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC001609648569 1098415526 /nfs/dbraw/zinc/41/55/26/1098415526.db2.gz LUHPOXOELJWAKP-INIZCTEOSA-N -2 1 338.363 2.846 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC001610449689 1098684031 /nfs/dbraw/zinc/68/40/31/1098684031.db2.gz KTLABRJEVSBRLU-UHFFFAOYSA-N -2 1 344.392 2.869 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1F ZINC001610631800 1098795897 /nfs/dbraw/zinc/79/58/97/1098795897.db2.gz XJAQGNHMEDJMBM-UHFFFAOYSA-N -2 1 348.355 2.515 20 30 EFEDML Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000320453828 241203995 /nfs/dbraw/zinc/20/39/95/241203995.db2.gz OEAIPQFWIQDGGS-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1C ZINC000005134365 210395922 /nfs/dbraw/zinc/39/59/22/210395922.db2.gz LFAGTKKKPUYTAX-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc(C(=O)[O-])c1 ZINC000507568873 268011978 /nfs/dbraw/zinc/01/19/78/268011978.db2.gz UONIJGZDXFCJDM-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935972 301957713 /nfs/dbraw/zinc/95/77/13/301957713.db2.gz AOWSMUOFNLBYPD-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000548534002 318118428 /nfs/dbraw/zinc/11/84/28/318118428.db2.gz QLKYHANHZZXLGV-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML CCc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1 ZINC000038928327 472021829 /nfs/dbraw/zinc/02/18/29/472021829.db2.gz SLSLZOOVZCCNCK-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000039670140 472025600 /nfs/dbraw/zinc/02/56/00/472025600.db2.gz IKLQOAGLUCMBQG-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000179025532 473613846 /nfs/dbraw/zinc/61/38/46/473613846.db2.gz DHCUOSUGCUFQGW-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc(C(=O)[O-])c1C ZINC000348453203 475675908 /nfs/dbraw/zinc/67/59/08/475675908.db2.gz JSMVFKIGQNJCPY-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000431182336 476992114 /nfs/dbraw/zinc/99/21/14/476992114.db2.gz OIFJKTVDZLRGFQ-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461589 479800101 /nfs/dbraw/zinc/80/01/01/479800101.db2.gz ZYPYLGJMGVGIDJ-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML C#CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000736090094 599838379 /nfs/dbraw/zinc/83/83/79/599838379.db2.gz UYPMQZJACZMTIL-UHFFFAOYSA-N -2 1 345.376 2.506 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000736095103 600888447 /nfs/dbraw/zinc/88/84/47/600888447.db2.gz IWTBBBBDYBJWEO-UHFFFAOYSA-N -2 1 335.768 2.820 20 30 EFEDML N#CCc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000324871116 601321606 /nfs/dbraw/zinc/32/16/06/601321606.db2.gz OKJAXTOICANUBF-YHYXMXQVSA-N -2 1 342.376 2.651 20 30 EFEDML C[C@@H](C#N)S(=O)(=O)[N-]c1c([O-])cc(C(F)(F)F)cc1Cl ZINC001193158872 1293188788 /nfs/dbraw/zinc/18/87/88/1293188788.db2.gz WACSZZNUAVXFQN-YFKPBYRVSA-N -2 1 328.699 2.718 20 30 EFEDML N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001196679817 1294314133 /nfs/dbraw/zinc/31/41/33/1294314133.db2.gz NIEYWNJQLSBMHR-UHFFFAOYSA-N -2 1 326.736 2.857 20 30 EFEDML N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001196690376 1294347408 /nfs/dbraw/zinc/34/74/08/1294347408.db2.gz NOSFLADISMFOEP-UHFFFAOYSA-N -2 1 344.726 2.996 20 30 EFEDML N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001260227328 1316324126 /nfs/dbraw/zinc/32/41/26/1316324126.db2.gz BVSXEJYRZVWSTB-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML N#Cc1cncc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260869003 1316374702 /nfs/dbraw/zinc/37/47/02/1316374702.db2.gz WDHADZDAAITNDC-UHFFFAOYSA-N -2 1 344.179 2.766 20 30 EFEDML O=C([O-])c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000823387761 1426525018 /nfs/dbraw/zinc/52/50/18/1426525018.db2.gz WVTFLPVNEYAKMU-UPHRSURJSA-N -2 1 332.366 2.584 20 30 EFEDML O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826461981 1427434848 /nfs/dbraw/zinc/43/48/48/1427434848.db2.gz LFHCCNWSHDVRET-ZZXKWVIFSA-N -2 1 326.337 2.523 20 30 EFEDML COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c([O-])c1 ZINC000821770508 1429976004 /nfs/dbraw/zinc/97/60/04/1429976004.db2.gz VPDZEZFGPSERPY-HWKANZROSA-N -2 1 328.353 2.539 20 30 EFEDML O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000738213825 1443828522 /nfs/dbraw/zinc/82/85/22/1443828522.db2.gz HWWZUGXPICHAEE-ZZXKWVIFSA-N -2 1 326.337 2.523 20 30 EFEDML C[C@H](CN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1)C(=O)[O-] ZINC001592604831 978547270 /nfs/dbraw/zinc/54/72/70/978547270.db2.gz DUKXIKKNEFXYAB-CYBMUJFWSA-N -2 1 338.363 2.627 20 30 EFEDML C#CC[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588398085 983410504 /nfs/dbraw/zinc/41/05/04/983410504.db2.gz CLHZGJGQSQGJON-VIFPVBQESA-N -2 1 336.121 2.678 20 30 EFEDML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001605827161 1097241326 /nfs/dbraw/zinc/24/13/26/1097241326.db2.gz NVNKIPXZWSLHPI-UHFFFAOYSA-N -2 1 344.392 2.814 20 30 EFEDML N#Cc1ncc(Cl)cc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167936076 1097349247 /nfs/dbraw/zinc/34/92/47/1097349247.db2.gz HGVOIHCYTDHHEN-UHFFFAOYSA-N -2 1 349.714 2.691 20 30 EFEDML Cc1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc(C)c1C#N ZINC001167936311 1097351002 /nfs/dbraw/zinc/35/10/02/1097351002.db2.gz ZLNPOOQDKIGJRZ-UHFFFAOYSA-N -2 1 343.323 2.655 20 30 EFEDML N#CCc1c(F)cccc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167939291 1097384635 /nfs/dbraw/zinc/38/46/35/1097384635.db2.gz SHJBNJOWMXZBCG-UHFFFAOYSA-N -2 1 346.298 2.976 20 30 EFEDML Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1C(=O)[O-] ZINC001607862912 1097758340 /nfs/dbraw/zinc/75/83/40/1097758340.db2.gz FRBSODHLPALGGP-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC001609648570 1098415365 /nfs/dbraw/zinc/41/53/65/1098415365.db2.gz LUHPOXOELJWAKP-MRXNPFEDSA-N -2 1 338.363 2.846 20 30 EFEDML N#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[O-] ZINC001610626832 1098792443 /nfs/dbraw/zinc/79/24/43/1098792443.db2.gz XDVAALLZLSCAKT-HOTGVXAUSA-N -2 1 342.395 2.759 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000071919653 202364812 /nfs/dbraw/zinc/36/48/12/202364812.db2.gz UNMOVWPCILVFLM-UHFFFAOYSA-N -2 1 344.392 2.814 20 30 EFEDML N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000055550842 201134466 /nfs/dbraw/zinc/13/44/66/201134466.db2.gz MWZGFGCMGNBFAO-UHFFFAOYSA-N -2 1 342.376 2.546 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000324411491 311241491 /nfs/dbraw/zinc/24/14/91/311241491.db2.gz QPDWRSDPVGUCEF-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000181773181 474062974 /nfs/dbraw/zinc/06/29/74/474062974.db2.gz VJCKPWLLSBMUIW-LBPRGKRZSA-N -2 1 344.392 2.937 20 30 EFEDML N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000318803257 474892987 /nfs/dbraw/zinc/89/29/87/474892987.db2.gz SLFWPVLIGQJFPQ-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000323704073 474953732 /nfs/dbraw/zinc/95/37/32/474953732.db2.gz GQKYUVYOQCLQMF-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C(=O)[O-] ZINC000324378325 474967902 /nfs/dbraw/zinc/96/79/02/474967902.db2.gz JVYZWVAFYFZSFP-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C(=O)[O-])c1 ZINC000326787184 475010620 /nfs/dbraw/zinc/01/06/20/475010620.db2.gz WGWNTKNYWXIFGB-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML Cc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C(=O)[O-] ZINC000619462908 479801510 /nfs/dbraw/zinc/80/15/10/479801510.db2.gz AUAURBABRJGNGT-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1C#N ZINC000137607385 524806825 /nfs/dbraw/zinc/80/68/25/524806825.db2.gz YQBWTNJHJRZEET-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1c(C(=O)[O-])oc2c1C(N=Nc1ccc(C(=O)[O-])cn1)CCC2 ZINC000763376820 576374870 /nfs/dbraw/zinc/37/48/70/576374870.db2.gz HBGXEFBYCZKRCV-UHFFFAOYSA-N -2 1 329.312 2.532 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1 ZINC000738504209 600493005 /nfs/dbraw/zinc/49/30/05/600493005.db2.gz UOELCPCCMJNCEZ-UHFFFAOYSA-N -2 1 331.353 2.757 20 30 EFEDML C[C@H](Oc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1)C(=O)[O-] ZINC000794697514 602107988 /nfs/dbraw/zinc/10/79/88/602107988.db2.gz KRZHZKAWTDDXDR-SYEOYNTFSA-N -2 1 326.304 2.860 20 30 EFEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000832850052 604399333 /nfs/dbraw/zinc/39/93/33/604399333.db2.gz ZHYUOOZUJWNZDU-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000318476767 604990076 /nfs/dbraw/zinc/99/00/76/604990076.db2.gz AVQQBOKFXAOPPX-UHFFFAOYSA-N -2 1 335.768 2.820 20 30 EFEDML N#C[C@@]1(F)CCN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000786104335 1275298073 /nfs/dbraw/zinc/29/80/73/1275298073.db2.gz BUPOHEVFYYMJBO-IBGZPJMESA-N -2 1 340.354 2.766 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(C#N)cc1C ZINC001185906431 1290783005 /nfs/dbraw/zinc/78/30/05/1290783005.db2.gz VFWZYKKGYZFLAD-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])cc2C#N)c1 ZINC001190972744 1292407652 /nfs/dbraw/zinc/40/76/52/1292407652.db2.gz HRECGSNAHRACKF-UHFFFAOYSA-N -2 1 333.756 2.590 20 30 EFEDML C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC001192648244 1292953652 /nfs/dbraw/zinc/95/36/52/1292953652.db2.gz KOVAETSUIPNJIJ-UHFFFAOYSA-N -2 1 345.376 2.566 20 30 EFEDML C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192726334 1293025937 /nfs/dbraw/zinc/02/59/37/1293025937.db2.gz SNRDZHNGFZDNEZ-UHFFFAOYSA-N -2 1 347.392 2.984 20 30 EFEDML N#Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])c([O-])c1 ZINC001195750955 1294029052 /nfs/dbraw/zinc/02/90/52/1294029052.db2.gz PKEKYTLLLQIQTC-UHFFFAOYSA-N -2 1 333.141 2.984 20 30 EFEDML Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782468 1295227992 /nfs/dbraw/zinc/22/79/92/1295227992.db2.gz JSTQBAZGVHLERY-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198780066 1295249506 /nfs/dbraw/zinc/24/95/06/1295249506.db2.gz ZUHIGTYMEQCISD-UHFFFAOYSA-N -2 1 344.392 2.987 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)ccc1[O-] ZINC001259996541 1316304466 /nfs/dbraw/zinc/30/44/66/1316304466.db2.gz ATVBVMNLEDILTC-UHFFFAOYSA-N -2 1 347.377 2.781 20 30 EFEDML N#Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260190053 1316321712 /nfs/dbraw/zinc/32/17/12/1316321712.db2.gz YEUSDGFBTBNECB-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML C#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001260871242 1316374882 /nfs/dbraw/zinc/37/48/82/1316374882.db2.gz LFGDPZWALNLANR-UHFFFAOYSA-N -2 1 343.191 2.876 20 30 EFEDML N#Cc1nc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])[n-]c1C#N ZINC001469559805 1397038087 /nfs/dbraw/zinc/03/80/87/1397038087.db2.gz CBGUNIGAMARKQX-UHFFFAOYSA-N -2 1 345.318 2.903 20 30 EFEDML O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1[O-] ZINC000826400698 1423455227 /nfs/dbraw/zinc/45/52/27/1423455227.db2.gz FMCJWUVBIFBVOA-DUXPYHPUSA-N -2 1 346.268 2.886 20 30 EFEDML CCCCCCCCOCC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000821056683 1427420561 /nfs/dbraw/zinc/42/05/61/1427420561.db2.gz VZAPXSDCVDYYKI-UHFFFAOYSA-N -2 1 347.419 2.888 20 30 EFEDML O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)cc(F)c1[O-] ZINC000826402122 1443080352 /nfs/dbraw/zinc/08/03/52/1443080352.db2.gz NLFDAGHCZZSELS-AATRIKPKSA-N -2 1 328.278 2.747 20 30 EFEDML O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000823387553 1443582236 /nfs/dbraw/zinc/58/22/36/1443582236.db2.gz OOONJSBEUUTMGY-HNQUOIGGSA-N -2 1 332.366 2.584 20 30 EFEDML COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c([O-])c1 ZINC000826187211 1446698022 /nfs/dbraw/zinc/69/80/22/1446698022.db2.gz GDZPLHSERJMMIX-CLTKARDFSA-N -2 1 340.314 2.616 20 30 EFEDML O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000738213824 1449243115 /nfs/dbraw/zinc/24/31/15/1449243115.db2.gz HWWZUGXPICHAEE-UTCJRWHESA-N -2 1 326.337 2.523 20 30 EFEDML C=CCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000909717198 727368062 /nfs/dbraw/zinc/36/80/62/727368062.db2.gz DGZVFTXMRXYQRO-LLVKDONJSA-N -2 1 327.764 2.594 20 30 EFEDML C=CCCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-] ZINC000910914786 727471791 /nfs/dbraw/zinc/47/17/91/727471791.db2.gz KFSDTFSSJLFVIZ-GFCCVEGCSA-N -2 1 341.791 2.984 20 30 EFEDML C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(C)(C)C ZINC001588376313 983351419 /nfs/dbraw/zinc/35/14/19/983351419.db2.gz SEXLGCOPWPKCPR-NSHDSACASA-N -2 1 347.795 2.504 20 30 EFEDML C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001588736742 984026615 /nfs/dbraw/zinc/02/66/15/984026615.db2.gz TXEIPNBPNUDHRZ-UHFFFAOYSA-N -2 1 333.356 2.544 20 30 EFEDML N#CCc1cccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1F ZINC001167936238 1097351967 /nfs/dbraw/zinc/35/19/67/1097351967.db2.gz JKXKNKDCWZQIBT-UHFFFAOYSA-N -2 1 346.298 2.976 20 30 EFEDML O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1ccc([O-])c(Cl)c1 ZINC001609519734 1098368518 /nfs/dbraw/zinc/36/85/18/1098368518.db2.gz JYSJZHHFAVMCFM-ONEGZZNKSA-N -2 1 333.760 2.578 20 30 EFEDML O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1ccc([O-])c(Cl)c1 ZINC001609519734 1098368525 /nfs/dbraw/zinc/36/85/25/1098368525.db2.gz JYSJZHHFAVMCFM-ONEGZZNKSA-N -2 1 333.760 2.578 20 30 EFEDML C[C@@H](CN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1)C(=O)[O-] ZINC001609742737 1098444644 /nfs/dbraw/zinc/44/46/44/1098444644.db2.gz ZWDVSMHSHOXAMX-ZDUSSCGKSA-N -2 1 338.363 2.627 20 30 EFEDML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC001610066572 1098536600 /nfs/dbraw/zinc/53/66/00/1098536600.db2.gz AWDAJPKWJAGERH-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML Cc1ccc(NN=Cc2n[nH]c3cc(C(=O)[O-])ccc23)cc1C(=O)[O-] ZINC001610509444 1098721953 /nfs/dbraw/zinc/72/19/53/1098721953.db2.gz JAIUHUVGGXVEDQ-UHFFFAOYSA-N -2 1 338.323 2.714 20 30 EFEDML N#Cc1ccc(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[O-] ZINC001610626834 1098792548 /nfs/dbraw/zinc/79/25/48/1098792548.db2.gz XDVAALLZLSCAKT-JKSUJKDBSA-N -2 1 342.395 2.759 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000073353687 216380593 /nfs/dbraw/zinc/38/05/93/216380593.db2.gz PHGNJMKCLBMECL-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML C=CCOc1cccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000357138301 242088952 /nfs/dbraw/zinc/08/89/52/242088952.db2.gz WOUFPXOBYJFSPX-UHFFFAOYSA-N -2 1 347.392 2.679 20 30 EFEDML Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cccc1C(=O)[O-] ZINC000427208691 247330192 /nfs/dbraw/zinc/33/01/92/247330192.db2.gz HVOLNKMIHLCALW-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc(C(=O)[O-])c1 ZINC000427305725 247336605 /nfs/dbraw/zinc/33/66/05/247336605.db2.gz WUQYHNJBKSTVGM-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000356474757 147254271 /nfs/dbraw/zinc/25/42/71/147254271.db2.gz HBFCDGNFHMNTQS-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000356495454 147260535 /nfs/dbraw/zinc/26/05/35/147260535.db2.gz FRJRLNRHQMGLIF-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)ccc1C#N ZINC000324213734 267360251 /nfs/dbraw/zinc/36/02/51/267360251.db2.gz AJICHOMWWGCJMI-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1C(=O)[O-] ZINC000427212244 268011875 /nfs/dbraw/zinc/01/18/75/268011875.db2.gz KBCAVUJWGXWRTF-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C(=O)[O-] ZINC000427247522 268040869 /nfs/dbraw/zinc/04/08/69/268040869.db2.gz AWUMTFGEUZGYAJ-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])cc1 ZINC000358638935 303199706 /nfs/dbraw/zinc/19/97/06/303199706.db2.gz YGXHGKSAEIPFED-UHFFFAOYSA-N -2 1 341.348 2.539 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1C(=O)[O-] ZINC000076019389 472242470 /nfs/dbraw/zinc/24/24/70/472242470.db2.gz ZLKHBXFIEBFLRC-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179028513 473615105 /nfs/dbraw/zinc/61/51/05/473615105.db2.gz ROWHIZWGZBBBBY-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000179028065 473615161 /nfs/dbraw/zinc/61/51/61/473615161.db2.gz PRTCXSWBCZBZJQ-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML N#Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000336852713 476143397 /nfs/dbraw/zinc/14/33/97/476143397.db2.gz WUYWCUZAEYBRNR-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000336865788 476148742 /nfs/dbraw/zinc/14/87/42/476148742.db2.gz GBTCLDHPNGNTPW-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362306429 476157437 /nfs/dbraw/zinc/15/74/37/476157437.db2.gz SCSXASGKWZFJGI-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])c1 ZINC000619462504 479800219 /nfs/dbraw/zinc/80/02/19/479800219.db2.gz CQGXRJSDYRWART-UHFFFAOYSA-N -2 1 344.392 2.869 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619470342 479804606 /nfs/dbraw/zinc/80/46/06/479804606.db2.gz JUWYCJQTGHXQMY-UHFFFAOYSA-N -2 1 344.392 2.869 20 30 EFEDML Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619470315 479804666 /nfs/dbraw/zinc/80/46/66/479804666.db2.gz IGRXGJIATIXPCE-UHFFFAOYSA-N -2 1 348.355 2.699 20 30 EFEDML CON=C(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000767490040 577210085 /nfs/dbraw/zinc/21/00/85/577210085.db2.gz IXXPIKYGOMPXFW-UHFFFAOYSA-N -2 1 348.380 2.556 20 30 EFEDML Cc1nnc(NN=Cc2cc(Cl)c3ccccc3c2[O-])[n-]c1=O ZINC000774574461 581494462 /nfs/dbraw/zinc/49/44/62/581494462.db2.gz VQTYDRCPUKGYPY-UHFFFAOYSA-N -2 1 329.747 2.844 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739129990 600101013 /nfs/dbraw/zinc/10/10/13/600101013.db2.gz IPGSBDAZRATVQJ-UHFFFAOYSA-N -2 1 335.316 2.588 20 30 EFEDML N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000739121864 600886522 /nfs/dbraw/zinc/88/65/22/600886522.db2.gz XWASCEKNVXKPMZ-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML N#Cc1cccc([C@H](OC(=O)c2c([O-])cc(F)cc2F)C(=O)[O-])c1 ZINC000833077602 601351451 /nfs/dbraw/zinc/35/14/51/601351451.db2.gz XHVFFAIFEJKQGQ-AWEZNQCLSA-N -2 1 333.246 2.525 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833747547 604745531 /nfs/dbraw/zinc/74/55/31/604745531.db2.gz VGKMXFMTZAFCPV-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000833368057 605166811 /nfs/dbraw/zinc/16/68/11/605166811.db2.gz ZWJNHWMDLCOAIN-UHFFFAOYSA-N -2 1 335.768 2.820 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1oc(C(C)C)nc1C#N)O2 ZINC000745611664 1271540438 /nfs/dbraw/zinc/54/04/38/1271540438.db2.gz BTTBYBOQBMTYDF-UHFFFAOYSA-N -2 1 326.312 2.684 20 30 EFEDML C=CCN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C1CCCCC1 ZINC001148926404 1281825538 /nfs/dbraw/zinc/82/55/38/1281825538.db2.gz MOHVAYUGRSDQBV-UHFFFAOYSA-N -2 1 339.413 2.600 20 30 EFEDML N#Cc1cc([N-]C(=O)c2nc(Cc3ccccc3)no2)c([O-])cc1F ZINC001192275953 1292853993 /nfs/dbraw/zinc/85/39/93/1292853993.db2.gz JEFUBSHZHHEHDP-UHFFFAOYSA-N -2 1 338.298 2.629 20 30 EFEDML N#Cc1ccc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c([O-])c1 ZINC001195303191 1293885161 /nfs/dbraw/zinc/88/51/61/1293885161.db2.gz SZZJQHLXTMSNPG-UHFFFAOYSA-N -2 1 326.205 2.778 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C#N ZINC001260192349 1316321745 /nfs/dbraw/zinc/32/17/45/1316321745.db2.gz KAADLPAEEMJKKD-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190451 1316321862 /nfs/dbraw/zinc/32/18/62/1316321862.db2.gz MAACTHXRMOOETC-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML O=C1c2ccc(O)cc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504735 1428989274 /nfs/dbraw/zinc/98/92/74/1428989274.db2.gz TWNSULDSHBDWQK-KPKJPENVSA-N -2 1 336.326 2.924 20 30 EFEDML C[C@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820307518 1429504642 /nfs/dbraw/zinc/50/46/42/1429504642.db2.gz MYIGMBDZTAVAMN-HLGUWXJESA-N -2 1 338.327 2.661 20 30 EFEDML COc1ccc(C=CC(=O)c2cc(F)ccc2[O-])cc1-c1nnn[n-]1 ZINC000821786250 1424580743 /nfs/dbraw/zinc/58/07/43/1424580743.db2.gz CCEUHNBXEOOFCM-DJWKRKHSSA-N -2 1 340.314 2.616 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)O2 ZINC000822210798 1425087742 /nfs/dbraw/zinc/08/77/42/1425087742.db2.gz RKKVUPQMWADBLD-WDZFZDKYSA-N -2 1 326.337 2.558 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)O2 ZINC000822210798 1425087748 /nfs/dbraw/zinc/08/77/48/1425087748.db2.gz RKKVUPQMWADBLD-WDZFZDKYSA-N -2 1 326.337 2.558 20 30 EFEDML O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826461814 1425361170 /nfs/dbraw/zinc/36/11/70/1425361170.db2.gz HHBXWZUSXVNNLW-BAQGIRSFSA-N -2 1 338.298 2.600 20 30 EFEDML O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1[O-] ZINC000822921925 1441498746 /nfs/dbraw/zinc/49/87/46/1441498746.db2.gz AKDMJQROSWNXPT-ZZXKWVIFSA-N -2 1 328.278 2.747 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821839543 1443686778 /nfs/dbraw/zinc/68/67/78/1443686778.db2.gz WDUNYASBTPNRQJ-ZZXKWVIFSA-N -2 1 328.353 2.539 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821839543 1443686781 /nfs/dbraw/zinc/68/67/81/1443686781.db2.gz WDUNYASBTPNRQJ-ZZXKWVIFSA-N -2 1 328.353 2.539 20 30 EFEDML COc1ccc(C=CC(=O)c2cc(F)ccc2[O-])cc1-c1nnn[n-]1 ZINC000821786253 1446092512 /nfs/dbraw/zinc/09/25/12/1446092512.db2.gz CCEUHNBXEOOFCM-GORDUTHDSA-N -2 1 340.314 2.616 20 30 EFEDML C[C@@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820307519 1446321061 /nfs/dbraw/zinc/32/10/61/1446321061.db2.gz MYIGMBDZTAVAMN-IYPWXLATSA-N -2 1 338.327 2.661 20 30 EFEDML O=C([O-])c1cc(NN=Cc2ccc(-c3nnn[n-]3)s2)ccc1Cl ZINC000823387623 1446535939 /nfs/dbraw/zinc/53/59/39/1446535939.db2.gz QYKRAJXFBQWJCB-UHFFFAOYSA-N -2 1 348.775 2.726 20 30 EFEDML O=C([O-])c1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cs1 ZINC000822927835 1449058307 /nfs/dbraw/zinc/05/83/07/1449058307.db2.gz BKJHJHKDJFCXJL-HNQUOIGGSA-N -2 1 332.366 2.584 20 30 EFEDML O=C([O-])c1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cs1 ZINC000822922258 1450063150 /nfs/dbraw/zinc/06/31/50/1450063150.db2.gz DZJOIPJKZPYSDZ-OWOJBTEDSA-N -2 1 332.366 2.584 20 30 EFEDML COc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000915988809 727645994 /nfs/dbraw/zinc/64/59/94/727645994.db2.gz IBEXKESRWFEAEW-MKMNVTDBSA-N -2 1 343.291 2.939 20 30 EFEDML N#CCc1cccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c1 ZINC001594611328 956214093 /nfs/dbraw/zinc/21/40/93/956214093.db2.gz RUTNVPXKSOCWNW-UHFFFAOYSA-N -2 1 344.392 2.571 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000013262600 957001363 /nfs/dbraw/zinc/00/13/63/957001363.db2.gz VNECVWLMKBTDSK-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML O=C([O-])Cn1cc(C=NNc2ccccc2C(=O)[O-])c2ccccc21 ZINC000799872680 978842781 /nfs/dbraw/zinc/84/27/81/978842781.db2.gz BYKAGASVXDCZGA-UHFFFAOYSA-N -2 1 337.335 2.870 20 30 EFEDML N#Cc1ccc([C@@H](Sc2nc(C(F)F)cc(=O)[n-]2)C(=O)[O-])cc1 ZINC001601099645 1095511137 /nfs/dbraw/zinc/51/11/37/1095511137.db2.gz SLTZLVWOAVQBAU-LLVKDONJSA-N -2 1 337.307 2.909 20 30 EFEDML C#CC[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001602684630 1096349529 /nfs/dbraw/zinc/34/95/29/1096349529.db2.gz CFSSRDWKGZKALP-JTQLQIEISA-N -2 1 336.121 2.678 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC001602743298 1096359223 /nfs/dbraw/zinc/35/92/23/1096359223.db2.gz MAZJTIJFPUFCAL-UHFFFAOYSA-N -2 1 335.768 2.820 20 30 EFEDML N#Cc1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)ncc1Cl ZINC001167931985 1097316408 /nfs/dbraw/zinc/31/64/08/1097316408.db2.gz LTAMEJNUFMTYOR-UHFFFAOYSA-N -2 1 349.714 2.691 20 30 EFEDML N#Cc1ccc(F)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1 ZINC001167934208 1097337839 /nfs/dbraw/zinc/33/78/39/1097337839.db2.gz GXEATXPTHZLNLG-UHFFFAOYSA-N -2 1 332.271 2.782 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1Cl ZINC000193708826 240121894 /nfs/dbraw/zinc/12/18/94/240121894.db2.gz CRGINASCHRALIH-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000324934837 241206320 /nfs/dbraw/zinc/20/63/20/241206320.db2.gz YNUBLUJSZNOHGN-UHFFFAOYSA-N -2 1 348.355 2.699 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1C(=O)[O-] ZINC000355851445 242049747 /nfs/dbraw/zinc/04/97/47/242049747.db2.gz YGHZRFGYUVPXFT-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013263480 264586833 /nfs/dbraw/zinc/58/68/33/264586833.db2.gz FBQLTWCXSWSVOT-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1C(=O)[O-] ZINC000073353689 301647232 /nfs/dbraw/zinc/64/72/32/301647232.db2.gz VDCDKWFZXXKTOD-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML N#Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])ccc1Cl ZINC000193708844 473803724 /nfs/dbraw/zinc/80/37/24/473803724.db2.gz YNLCFPMJOAQPMU-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000323456045 474948981 /nfs/dbraw/zinc/94/89/81/474948981.db2.gz AKSROIFTDURFLP-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000324104962 474960616 /nfs/dbraw/zinc/96/06/16/474960616.db2.gz KHTWNPYEOFKMAW-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)ccc1C#N ZINC000336871940 476153762 /nfs/dbraw/zinc/15/37/62/476153762.db2.gz JASGZPKKYHALLK-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000530284883 477880775 /nfs/dbraw/zinc/88/07/75/477880775.db2.gz GCYGKHVBQFYHFL-UHFFFAOYSA-N -2 1 344.392 2.814 20 30 EFEDML CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000152921906 524016693 /nfs/dbraw/zinc/01/66/93/524016693.db2.gz GGMLJOGXYSMFNX-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(Cl)c1 ZINC000225225408 526665118 /nfs/dbraw/zinc/66/51/18/526665118.db2.gz YGZNFZDAJAYMTC-UHFFFAOYSA-N -2 1 342.785 2.772 20 30 EFEDML C[C@@H](Oc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1)C(=O)[O-] ZINC000757467884 575839893 /nfs/dbraw/zinc/83/98/93/575839893.db2.gz NZHJHFVXUCQXOY-OKPNEXGHSA-N -2 1 328.320 2.846 20 30 EFEDML C[C@@H](Oc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1)C(=O)[O-] ZINC000757467882 575839921 /nfs/dbraw/zinc/83/99/21/575839921.db2.gz NZHJHFVXUCQXOY-JPVGGKMYSA-N -2 1 328.320 2.846 20 30 EFEDML C[C@@H](Oc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1)C(=O)[O-] ZINC000794702414 602112199 /nfs/dbraw/zinc/11/21/99/602112199.db2.gz QDJRHYQXDAICLK-SOZJPDODSA-N -2 1 328.320 2.846 20 30 EFEDML C[C@H](Oc1ccc(/C=C/C(=O)c2cc(O)ccc2[O-])cc1)C(=O)[O-] ZINC000794702416 602112223 /nfs/dbraw/zinc/11/22/23/602112223.db2.gz QDJRHYQXDAICLK-VUQUXZKVSA-N -2 1 328.320 2.846 20 30 EFEDML Cc1cccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1C(=O)[O-] ZINC000832972994 604399440 /nfs/dbraw/zinc/39/94/40/604399440.db2.gz SLXKUZWTYCBGOX-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML COc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000187229290 1272043411 /nfs/dbraw/zinc/04/34/11/1272043411.db2.gz ALRMRAJDYXYLQR-WCIBSUBMSA-N -2 1 327.292 2.837 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1cccc(F)c1[N+](=O)[O-])O2 ZINC000790306750 1277441259 /nfs/dbraw/zinc/44/12/59/1277441259.db2.gz OMLXKIJJZPWEAM-UHFFFAOYSA-N -2 1 331.259 2.749 20 30 EFEDML O=C([O-])c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c(O)c1 ZINC000806558547 1281094526 /nfs/dbraw/zinc/09/45/26/1281094526.db2.gz GBTOUSDOLJRSIY-QHHAFSJGSA-N -2 1 329.264 2.600 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1C#N ZINC001184696871 1290494599 /nfs/dbraw/zinc/49/45/99/1290494599.db2.gz JZWTZCIVYGVHRF-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001185906179 1290782730 /nfs/dbraw/zinc/78/27/30/1290782730.db2.gz MTSRTMLJAWHYQF-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)c(C)c1 ZINC001185914037 1290791003 /nfs/dbraw/zinc/79/10/03/1290791003.db2.gz LHFFGXOXEPSLBU-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML N#Cc1cccc([O-])c1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189108951 1291571800 /nfs/dbraw/zinc/57/18/00/1291571800.db2.gz OEGZMQOEEAGQCE-UHFFFAOYSA-N -2 1 336.800 2.902 20 30 EFEDML N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001190971311 1292406028 /nfs/dbraw/zinc/40/60/28/1292406028.db2.gz HBAWSYQFHJSILG-UHFFFAOYSA-N -2 1 326.736 2.857 20 30 EFEDML N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001196675753 1294329258 /nfs/dbraw/zinc/32/92/58/1294329258.db2.gz MFVCOFVWCDTWDB-UHFFFAOYSA-N -2 1 344.726 2.996 20 30 EFEDML N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])cc1C#N ZINC001196689774 1294347094 /nfs/dbraw/zinc/34/70/94/1294347094.db2.gz BKZUQZTVNAIFJK-UHFFFAOYSA-N -2 1 333.756 2.590 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1[O-] ZINC001259511654 1316254167 /nfs/dbraw/zinc/25/41/67/1316254167.db2.gz VLVVVISAIGFVPF-UHFFFAOYSA-N -2 1 326.736 2.857 20 30 EFEDML CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189133 1316321352 /nfs/dbraw/zinc/32/13/52/1316321352.db2.gz GXAXUVGQIXFILC-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc(F)cc(F)c1[O-] ZINC000822922916 1429244390 /nfs/dbraw/zinc/24/43/90/1429244390.db2.gz KVRGKKQLXTVAHI-HNQUOIGGSA-N -2 1 334.307 2.808 20 30 EFEDML Cc1cc(O)cc2c1C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)O2 ZINC000822210918 1427898656 /nfs/dbraw/zinc/89/86/56/1427898656.db2.gz WKMPICMOLKITAV-XGICHPGQSA-N -2 1 326.337 2.558 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)O2 ZINC000822210918 1427898658 /nfs/dbraw/zinc/89/86/58/1427898658.db2.gz WKMPICMOLKITAV-XGICHPGQSA-N -2 1 326.337 2.558 20 30 EFEDML O=C([O-])c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000823386983 1428005155 /nfs/dbraw/zinc/00/51/55/1428005155.db2.gz ADVGSLXVRBZHDE-NTEUORMPSA-N -2 1 346.346 2.777 20 30 EFEDML Cc1cc(O)cc2c1C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)O2 ZINC000826271958 1442437265 /nfs/dbraw/zinc/43/72/65/1442437265.db2.gz OZBDZXKBEOHGJY-MKMNVTDBSA-N -2 1 338.298 2.636 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)O2 ZINC000826271958 1442437267 /nfs/dbraw/zinc/43/72/67/1442437267.db2.gz OZBDZXKBEOHGJY-MKMNVTDBSA-N -2 1 338.298 2.636 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)O2 ZINC000826271958 1442437269 /nfs/dbraw/zinc/43/72/69/1442437269.db2.gz OZBDZXKBEOHGJY-MKMNVTDBSA-N -2 1 338.298 2.636 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc(C(=O)[O-])c1F ZINC000179024777 723820778 /nfs/dbraw/zinc/82/07/78/723820778.db2.gz PBVFQRNHXCRTTJ-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML C[C@@H](CN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1)C(=O)[O-] ZINC001592604832 978547752 /nfs/dbraw/zinc/54/77/52/978547752.db2.gz DUKXIKKNEFXYAB-ZDUSSCGKSA-N -2 1 338.363 2.627 20 30 EFEDML COc1cc(C(=O)[O-])ccc1N=NC(C)c1cc(C(=O)[O-])cs1 ZINC000814886721 978895992 /nfs/dbraw/zinc/89/59/92/978895992.db2.gz IBQMDDWFYYYCJF-UHFFFAOYSA-N -2 1 334.353 2.989 20 30 EFEDML C#CC[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588398084 983410485 /nfs/dbraw/zinc/41/04/85/983410485.db2.gz CLHZGJGQSQGJON-SECBINFHSA-N -2 1 336.121 2.678 20 30 EFEDML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001597578676 988375215 /nfs/dbraw/zinc/37/52/15/988375215.db2.gz JIQLQWMWZWBMEO-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001602860792 1096387107 /nfs/dbraw/zinc/38/71/07/1096387107.db2.gz QDQZIYTUIIXGHM-VIFPVBQESA-N -2 1 333.356 2.686 20 30 EFEDML N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000012521296 211397167 /nfs/dbraw/zinc/39/71/67/211397167.db2.gz IOIUFUNCHYHTTP-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427258894 270028032 /nfs/dbraw/zinc/02/80/32/270028032.db2.gz DQUSLTBXTWUNRR-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc(C(=O)[O-])c1 ZINC000507583995 268012427 /nfs/dbraw/zinc/01/24/27/268012427.db2.gz QJYICBWYKFFWQH-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000013278919 471824902 /nfs/dbraw/zinc/82/49/02/471824902.db2.gz LNSMEHMGAVGEEN-UHFFFAOYSA-N -2 1 348.405 2.779 20 30 EFEDML CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000026547731 472142103 /nfs/dbraw/zinc/14/21/03/472142103.db2.gz COWVRAIXAWUFHL-UHFFFAOYSA-N -2 1 344.392 2.987 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000322864249 474942477 /nfs/dbraw/zinc/94/24/77/474942477.db2.gz NPSDLQCKVHOLAE-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])ccc1C#N ZINC000324361593 474967932 /nfs/dbraw/zinc/96/79/32/474967932.db2.gz GMQGIXAYIJBTAU-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC000358621887 475816490 /nfs/dbraw/zinc/81/64/90/475816490.db2.gz CJVWIHPNRWNEDM-UHFFFAOYSA-N -2 1 341.348 2.539 20 30 EFEDML Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cccc1C(=O)[O-] ZINC000355840993 476065766 /nfs/dbraw/zinc/06/57/66/476065766.db2.gz IFDDBAKFQFAOAR-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C)cc(Br)c1[O-] ZINC000416945885 477380809 /nfs/dbraw/zinc/38/08/09/477380809.db2.gz FIQVNOLHJGOMJL-QMMMGPOBSA-N -2 1 333.207 2.507 20 30 EFEDML C=CCC1(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CCCCC1 ZINC000456374078 477895440 /nfs/dbraw/zinc/89/54/40/477895440.db2.gz WSYZJCPPCHVBTH-UHFFFAOYSA-N -2 1 342.399 2.753 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000575860899 479488215 /nfs/dbraw/zinc/48/82/15/479488215.db2.gz LZMMKPWFBFLUAC-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463175 479801379 /nfs/dbraw/zinc/80/13/79/479801379.db2.gz NXLZJFBPKNSSRX-UHFFFAOYSA-N -2 1 344.392 2.814 20 30 EFEDML COc1ccc([O-])c(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)c1 ZINC000757467736 575839927 /nfs/dbraw/zinc/83/99/27/575839927.db2.gz JCNJDXYJAPBOBP-YWEYNIOJSA-N -2 1 328.320 2.760 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1nc(-c3ccccc3)no1)O2 ZINC000726737672 577382017 /nfs/dbraw/zinc/38/20/17/577382017.db2.gz BJXNWQZVSCIHFO-UHFFFAOYSA-N -2 1 336.307 2.751 20 30 EFEDML O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000772803249 581370086 /nfs/dbraw/zinc/37/00/86/581370086.db2.gz SBSWVMPKGWOECO-ORCRQEGFSA-N -2 1 329.264 2.600 20 30 EFEDML N#Cc1ccc([C@@H](OC(=O)c2c([O-])cc(F)cc2F)C(=O)[O-])cc1 ZINC000739113995 600615113 /nfs/dbraw/zinc/61/51/13/600615113.db2.gz DXSIZYKXCBXMPU-CQSZACIVSA-N -2 1 333.246 2.525 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000024346771 601319857 /nfs/dbraw/zinc/31/98/57/601319857.db2.gz FCMDQDTYAOXNOB-DHZHZOJOSA-N -2 1 327.361 2.567 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1 ZINC000738203615 603260800 /nfs/dbraw/zinc/26/08/00/603260800.db2.gz XMSLTUSNJUXLTH-UHFFFAOYSA-N -2 1 331.353 2.757 20 30 EFEDML CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccccc1OCC(=O)[O-] ZINC000833386492 605323706 /nfs/dbraw/zinc/32/37/06/605323706.db2.gz KAWQFHLOHRDNMN-UHFFFAOYSA-N -2 1 328.324 2.684 20 30 EFEDML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000793349612 1279596280 /nfs/dbraw/zinc/59/62/80/1279596280.db2.gz SJLZZYZYRHQTON-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C#N ZINC001185917739 1290792534 /nfs/dbraw/zinc/79/25/34/1290792534.db2.gz IZGZTPJFBOROOC-UHFFFAOYSA-N -2 1 344.392 2.983 20 30 EFEDML CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(C#N)c1 ZINC001191827699 1292682910 /nfs/dbraw/zinc/68/29/10/1292682910.db2.gz FPYMFAJBSKBGKB-UHFFFAOYSA-N -2 1 332.381 2.772 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1C#N ZINC001192140816 1292807806 /nfs/dbraw/zinc/80/78/06/1292807806.db2.gz JIGVXFCVRPKZLZ-UHFFFAOYSA-N -2 1 344.392 2.685 20 30 EFEDML COC(=O)c1scc(C#N)c1NC(=O)c1cc(O)cc(F)c1F ZINC001192651450 1292955233 /nfs/dbraw/zinc/95/52/33/1292955233.db2.gz IXMGYIUIUJQVOD-UHFFFAOYSA-N -2 1 338.291 2.642 20 30 EFEDML C[C@H](C#N)S(=O)(=O)[N-]c1c([O-])cc(C(F)(F)F)cc1Cl ZINC001193158871 1293189023 /nfs/dbraw/zinc/18/90/23/1293189023.db2.gz WACSZZNUAVXFQN-RXMQYKEDSA-N -2 1 328.699 2.718 20 30 EFEDML C#CC[C@H](C)Oc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O ZINC001227993894 1311886131 /nfs/dbraw/zinc/88/61/31/1311886131.db2.gz HUMNKPYLDFRKRN-NSHDSACASA-N -2 1 336.343 2.972 20 30 EFEDML C#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001251397703 1315345875 /nfs/dbraw/zinc/34/58/75/1315345875.db2.gz BQPUJTXEHZRDLU-UHFFFAOYSA-N -2 1 343.191 2.876 20 30 EFEDML C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001260189729 1316321814 /nfs/dbraw/zinc/32/18/14/1316321814.db2.gz ZXKCUKZGOYPJJX-LLVKDONJSA-N -2 1 330.365 2.813 20 30 EFEDML CC(=NNc1ccccc1C(=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000823961866 1426676841 /nfs/dbraw/zinc/67/68/41/1426676841.db2.gz AMXNQJJVZFEQEC-UHFFFAOYSA-N -2 1 340.318 2.540 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826210468 1430205590 /nfs/dbraw/zinc/20/55/90/1430205590.db2.gz SQQXGXPRWUVRKF-UTCJRWHESA-N -2 1 340.314 2.616 20 30 EFEDML COc1ccc([O-])c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826210468 1430205593 /nfs/dbraw/zinc/20/55/93/1430205593.db2.gz SQQXGXPRWUVRKF-UTCJRWHESA-N -2 1 340.314 2.616 20 30 EFEDML O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc(F)c1[O-] ZINC000822922985 1446373673 /nfs/dbraw/zinc/37/36/73/1446373673.db2.gz LWIBECDEPJPIDM-ONEGZZNKSA-N -2 1 346.268 2.886 20 30 EFEDML O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc([O-])c(Cl)c1 ZINC000921258503 729281244 /nfs/dbraw/zinc/28/12/44/729281244.db2.gz ILGDBXAIKNGZHJ-UHFFFAOYSA-N -2 1 331.784 2.926 20 30 EFEDML Cc1cc(C(=O)[O-])cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC001594281377 957747671 /nfs/dbraw/zinc/74/76/71/957747671.db2.gz KUKDZWIPIZJPGJ-CYBMUJFWSA-N -2 1 334.335 2.763 20 30 EFEDML Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC001600482754 1095097745 /nfs/dbraw/zinc/09/77/45/1095097745.db2.gz HWNZFZUUBJMBQA-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML N#Cc1cccc(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001601121829 1095527526 /nfs/dbraw/zinc/52/75/26/1095527526.db2.gz YZFSNESTCLNBHF-UHFFFAOYSA-N -2 1 341.348 2.539 20 30 EFEDML Cc1cc(CN=Nc2ccccc2C(=O)[O-])cc(C)c1OCC(=O)[O-] ZINC001607633537 1097684410 /nfs/dbraw/zinc/68/44/10/1097684410.db2.gz PMOKVPCSYZUPCD-UHFFFAOYSA-N -2 1 342.351 2.911 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000055580029 214331951 /nfs/dbraw/zinc/33/19/51/214331951.db2.gz RSYPDDHHVIJMGB-UHFFFAOYSA-N -2 1 341.388 2.656 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(C(=O)[O-])c1 ZINC000355877635 242050666 /nfs/dbraw/zinc/05/06/66/242050666.db2.gz DARJUWMZOCFUHM-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427107949 247317396 /nfs/dbraw/zinc/31/73/96/247317396.db2.gz MGTNDMYQZYEOBD-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427136679 247322206 /nfs/dbraw/zinc/32/22/06/247322206.db2.gz LVZCKMYCEYPVLB-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C#N)c2)c1C ZINC000013078617 207280585 /nfs/dbraw/zinc/28/05/85/207280585.db2.gz LFZPCYZZVCVANQ-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C(=O)[O-])c1 ZINC000326775841 270026315 /nfs/dbraw/zinc/02/63/15/270026315.db2.gz SGPVBLLFBZXBBB-UHFFFAOYSA-N -2 1 344.392 2.928 20 30 EFEDML N#Cc1cccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c1 ZINC000134619980 472940762 /nfs/dbraw/zinc/94/07/62/472940762.db2.gz VIGAZPQQTHQATK-UHFFFAOYSA-N -2 1 344.392 2.766 20 30 EFEDML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000316738315 474881582 /nfs/dbraw/zinc/88/15/82/474881582.db2.gz WXGPEYJBJBZGRS-UHFFFAOYSA-N -2 1 340.357 2.566 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C(=O)[O-] ZINC000355841158 476065818 /nfs/dbraw/zinc/06/58/18/476065818.db2.gz ZQLRRQVKQDVKQH-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000336873386 476156592 /nfs/dbraw/zinc/15/65/92/476156592.db2.gz SPCQCEYVKKCOHV-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML N#CC1(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)CCCCC1 ZINC000589974531 479588770 /nfs/dbraw/zinc/58/87/70/479588770.db2.gz VZSJMDMVEJVDRA-UHFFFAOYSA-N -2 1 340.376 2.740 20 30 EFEDML O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000757472843 575840114 /nfs/dbraw/zinc/84/01/14/575840114.db2.gz LANULWUCJYQFBV-RJRFIUFISA-N -2 1 329.264 2.600 20 30 EFEDML O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000757472839 575840148 /nfs/dbraw/zinc/84/01/48/575840148.db2.gz LANULWUCJYQFBV-DAFODLJHSA-N -2 1 329.264 2.600 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1 ZINC000760339456 576007670 /nfs/dbraw/zinc/00/76/70/576007670.db2.gz SNAZIPGUBMIOTA-UHFFFAOYSA-N -2 1 329.377 2.784 20 30 EFEDML CC(=NNc1nnc(C)c(=O)[n-]1)c1cc(Cl)c(Cl)cc1[O-] ZINC000765995395 577096657 /nfs/dbraw/zinc/09/66/57/577096657.db2.gz SAZSMMOOHINTNG-UHFFFAOYSA-N -2 1 328.159 2.734 20 30 EFEDML O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000772803246 581370204 /nfs/dbraw/zinc/37/02/04/581370204.db2.gz SBSWVMPKGWOECO-KTAJNNJTSA-N -2 1 329.264 2.600 20 30 EFEDML N#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000739133633 600887792 /nfs/dbraw/zinc/88/77/92/600887792.db2.gz LQKNJVJWEYRPAK-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML C[C@H](Oc1cccc(CN=Nc2ccccc2C(=O)[O-])c1)C(=O)[O-] ZINC000746682111 605097632 /nfs/dbraw/zinc/09/76/32/605097632.db2.gz KNRWTDRAJXYTHJ-NSHDSACASA-N -2 1 328.324 2.683 20 30 EFEDML N#C[C@]1(F)CCN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000786104337 1275298215 /nfs/dbraw/zinc/29/82/15/1275298215.db2.gz BUPOHEVFYYMJBO-LJQANCHMSA-N -2 1 340.354 2.766 20 30 EFEDML N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(C#N)c2)c1 ZINC001190969844 1292403816 /nfs/dbraw/zinc/40/38/16/1292403816.db2.gz OIBVKIPXPJAYLL-UHFFFAOYSA-N -2 1 333.756 2.590 20 30 EFEDML C#C[C@H](COc1cccc(Cl)c1)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226786363 1311723026 /nfs/dbraw/zinc/72/30/26/1311723026.db2.gz PZYPZEYUIJLDKZ-SNVBAGLBSA-N -2 1 346.799 2.755 20 30 EFEDML C#CC[C@@H](C)Oc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O ZINC001227993893 1311885946 /nfs/dbraw/zinc/88/59/46/1311885946.db2.gz HUMNKPYLDFRKRN-LLVKDONJSA-N -2 1 336.343 2.972 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)ccc1[O-] ZINC001259469488 1316247134 /nfs/dbraw/zinc/24/71/34/1316247134.db2.gz MKATXNLKAGCUJG-UHFFFAOYSA-N -2 1 326.736 2.857 20 30 EFEDML C=C[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1 ZINC000823883286 1427467617 /nfs/dbraw/zinc/46/76/17/1427467617.db2.gz NGSQMNJBPSIGBH-GFCCVEGCSA-N -2 1 335.367 2.871 20 30 EFEDML O=C([O-])c1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000826400651 1430172796 /nfs/dbraw/zinc/17/27/96/1430172796.db2.gz DMNMBFBIEYITCQ-RQOWECAXSA-N -2 1 344.327 2.662 20 30 EFEDML COc1ccc(C=CC(=O)c2ccc([O-])c(F)c2)cc1-c1nnn[n-]1 ZINC000737081893 1443633777 /nfs/dbraw/zinc/63/37/77/1443633777.db2.gz RNOVFSRSGHDJPR-DJWKRKHSSA-N -2 1 340.314 2.616 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ncnc3sccc31)O2 ZINC000915956103 727642464 /nfs/dbraw/zinc/64/24/64/727642464.db2.gz ONUAGEYZBLOKLV-UHFFFAOYSA-N -2 1 326.337 2.706 20 30 EFEDML COc1cc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000915988810 727646062 /nfs/dbraw/zinc/64/60/62/727646062.db2.gz IBEXKESRWFEAEW-NSIKDUERSA-N -2 1 343.291 2.939 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1F ZINC001594627069 956320596 /nfs/dbraw/zinc/32/05/96/956320596.db2.gz LDIHNFPAHAJBQT-UHFFFAOYSA-N -2 1 348.355 2.515 20 30 EFEDML Cc1cc(C(=O)[O-])cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC001594281378 957748005 /nfs/dbraw/zinc/74/80/05/957748005.db2.gz KUKDZWIPIZJPGJ-ZDUSSCGKSA-N -2 1 334.335 2.763 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793384719 978806082 /nfs/dbraw/zinc/80/60/82/978806082.db2.gz LPOYNILQOPMDEY-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccc(C(=O)[O-])o1 ZINC001601047119 1095477387 /nfs/dbraw/zinc/47/73/87/1095477387.db2.gz JLUKGRDOOIDLLE-JTQLQIEISA-N -2 1 332.699 2.592 20 30 EFEDML N#Cc1cc([O-])cc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC001608197520 1097858798 /nfs/dbraw/zinc/85/87/98/1097858798.db2.gz DEFSUYSYFBJJOQ-UHFFFAOYSA-N -2 1 340.335 2.760 20 30 EFEDML Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)ccc(F)c1C(=O)[O-] ZINC001610426824 1098671855 /nfs/dbraw/zinc/67/18/55/1098671855.db2.gz FMRDYOMUEFHENX-UHFFFAOYSA-N -2 1 348.355 2.699 20 30 EFEDML Cc1cc(=O)[n-]c(NN=Cc2ccc(-c3ccccc3C(=O)[O-])o2)n1 ZINC001610475553 1098698849 /nfs/dbraw/zinc/69/88/49/1098698849.db2.gz BJCBXDRHOQJQTB-UHFFFAOYSA-N -2 1 338.323 2.895 20 30 EFEDML N#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cc1[O-] ZINC001610626831 1098792342 /nfs/dbraw/zinc/79/23/42/1098792342.db2.gz XDVAALLZLSCAKT-CVEARBPZSA-N -2 1 342.395 2.759 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000056668643 214383132 /nfs/dbraw/zinc/38/31/32/214383132.db2.gz FCMDQDTYAOXNOB-FLIBITNWSA-N -2 1 327.361 2.567 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C(=O)[O-])c1 ZINC000427136856 247321486 /nfs/dbraw/zinc/32/14/86/247321486.db2.gz MUOWRNQMPGQOAV-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc(C(=O)[O-])c1C ZINC000348455991 145950740 /nfs/dbraw/zinc/95/07/40/145950740.db2.gz PZBXMMDCQYXSSP-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)ccc1C(=O)[O-] ZINC000320593678 311238028 /nfs/dbraw/zinc/23/80/28/311238028.db2.gz WGDUVXSGGMHDAZ-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000184659483 474576907 /nfs/dbraw/zinc/57/69/07/474576907.db2.gz UXZSTNSEDJCCKT-LBPRGKRZSA-N -2 1 344.392 2.622 20 30 EFEDML Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000431195926 476994017 /nfs/dbraw/zinc/99/40/17/476994017.db2.gz ZXFPQCZKKIQHGB-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000416957276 477386640 /nfs/dbraw/zinc/38/66/40/477386640.db2.gz NOQWAAZMWIXOBQ-SSDOTTSWSA-N -2 1 337.184 2.735 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1C(=O)[O-] ZINC000619462574 479800127 /nfs/dbraw/zinc/80/01/27/479800127.db2.gz NRZUGYATHVGTNV-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000024346716 601826600 /nfs/dbraw/zinc/82/66/00/601826600.db2.gz DDJHYXIXFBLOKB-UHFFFAOYSA-N -2 1 335.768 2.820 20 30 EFEDML Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832910423 601861873 /nfs/dbraw/zinc/86/18/73/601861873.db2.gz ITMDJEYJZIIPCP-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML C[C@H](Oc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1)C(=O)[O-] ZINC000746684384 1275783237 /nfs/dbraw/zinc/78/32/37/1275783237.db2.gz ONRDNQQYYRSRIK-MDKXCRPYSA-N -2 1 326.304 2.860 20 30 EFEDML CCCCCCC[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000806637890 1281119388 /nfs/dbraw/zinc/11/93/88/1281119388.db2.gz YXGVZZOFJUQANE-GFCCVEGCSA-N -2 1 342.417 2.633 20 30 EFEDML C#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1F ZINC001185906417 1290782484 /nfs/dbraw/zinc/78/24/84/1290782484.db2.gz UCKKUNUTVWACLG-UHFFFAOYSA-N -2 1 333.340 2.614 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(C#N)cc1C ZINC001185914911 1290791428 /nfs/dbraw/zinc/79/14/28/1290791428.db2.gz YZYOPCXOEKJLRT-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML N#Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192131708 1292787479 /nfs/dbraw/zinc/78/74/79/1292787479.db2.gz IJFYRPUXNSOGJD-UHFFFAOYSA-N -2 1 348.355 2.515 20 30 EFEDML CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c(C#N)c2)c1 ZINC001192820621 1293062981 /nfs/dbraw/zinc/06/29/81/1293062981.db2.gz BOOQJRGCQIYLBS-UHFFFAOYSA-N -2 1 332.381 2.636 20 30 EFEDML C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195259496 1293865365 /nfs/dbraw/zinc/86/53/65/1293865365.db2.gz DVIWXDDBPQQEIO-UHFFFAOYSA-N -2 1 345.298 2.639 20 30 EFEDML N#Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1Cl ZINC001198780015 1295248772 /nfs/dbraw/zinc/24/87/72/1295248772.db2.gz XOOHCEBPOKYUIH-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001260868959 1316374945 /nfs/dbraw/zinc/37/49/45/1316374945.db2.gz UOGYBXBHXCIKQI-UHFFFAOYSA-N -2 1 344.179 2.766 20 30 EFEDML Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C#N)c2)c2ccncc12 ZINC001260094533 1316315444 /nfs/dbraw/zinc/31/54/44/1316315444.db2.gz XLZDEVQFPOLASQ-UHFFFAOYSA-N -2 1 339.376 2.921 20 30 EFEDML O=C([O-])c1cc(NN=Cc2cc(-c3nnn[n-]3)cs2)ccc1Cl ZINC000823387770 1429611676 /nfs/dbraw/zinc/61/16/76/1429611676.db2.gz XCUMYUXNXANIES-UHFFFAOYSA-N -2 1 348.775 2.726 20 30 EFEDML O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1[O-] ZINC000826400870 1443386625 /nfs/dbraw/zinc/38/66/25/1443386625.db2.gz KCSWTWVBQRWMIN-DJWKRKHSSA-N -2 1 328.278 2.747 20 30 EFEDML C[C@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820307521 1443855748 /nfs/dbraw/zinc/85/57/48/1443855748.db2.gz MYIGMBDZTAVAMN-VJCPFXPRSA-N -2 1 338.327 2.661 20 30 EFEDML O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826461815 1443987749 /nfs/dbraw/zinc/98/77/49/1443987749.db2.gz HHBXWZUSXVNNLW-FPYGCLRLSA-N -2 1 338.298 2.600 20 30 EFEDML CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958605 1446587957 /nfs/dbraw/zinc/58/79/57/1446587957.db2.gz SIIZRZXZUSUUMH-UHFFFAOYSA-N -2 1 340.318 2.540 20 30 EFEDML O=[N+]([O-])c1ccc([O-])c(C=Nc2cc(-c3nnn[n-]3)ccc2Cl)c1 ZINC000823645476 1447313580 /nfs/dbraw/zinc/31/35/80/1447313580.db2.gz QRVDWDVNIOUZOY-UHFFFAOYSA-N -2 1 344.718 2.885 20 30 EFEDML O=C([O-])CCOc1ccc(/C=C2\Oc3cc([O-])ccc3C2=O)cc1 ZINC000915987871 727645980 /nfs/dbraw/zinc/64/59/80/727645980.db2.gz LUBCRAJXSWNHHD-SXGWCWSVSA-N -2 1 326.304 2.862 20 30 EFEDML N#CCc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1 ZINC000325510004 951085910 /nfs/dbraw/zinc/08/59/10/951085910.db2.gz NRFNNIPAPHPQRA-UHFFFAOYSA-N -2 1 344.392 2.571 20 30 EFEDML C=C1CCC(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC001573344386 962918908 /nfs/dbraw/zinc/91/89/08/962918908.db2.gz VMVVOBCALUIZKV-UHFFFAOYSA-N -2 1 345.367 2.688 20 30 EFEDML C=CCCC[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(=O)[O-] ZINC001588793414 984219025 /nfs/dbraw/zinc/21/90/25/984219025.db2.gz XLDBLEKQQATUPW-LLVKDONJSA-N -2 1 342.189 2.694 20 30 EFEDML O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001593281948 1094264170 /nfs/dbraw/zinc/26/41/70/1094264170.db2.gz OKACYJKQSROQBJ-OWOJBTEDSA-N -2 1 332.366 2.584 20 30 EFEDML O=C([O-])c1csc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001593281948 1094264175 /nfs/dbraw/zinc/26/41/75/1094264175.db2.gz OKACYJKQSROQBJ-OWOJBTEDSA-N -2 1 332.366 2.584 20 30 EFEDML O=C([O-])c1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC001593283368 1094266008 /nfs/dbraw/zinc/26/60/08/1094266008.db2.gz PIBUFEUJJHIAQD-PLNGDYQASA-N -2 1 326.337 2.523 20 30 EFEDML O=C([O-])c1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC001593283368 1094266015 /nfs/dbraw/zinc/26/60/15/1094266015.db2.gz PIBUFEUJJHIAQD-PLNGDYQASA-N -2 1 326.337 2.523 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC001600360743 1095001335 /nfs/dbraw/zinc/00/13/35/1095001335.db2.gz ZSTXKZVBQOJWGT-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML O=C([O-])CC[C@@H]1CC[C@H](C(=O)N([O-])Cc2cccc3ccccc32)O1 ZINC001602033610 1096027929 /nfs/dbraw/zinc/02/79/29/1096027929.db2.gz AAZXRKRTEQJVAA-DOTOQJQBSA-N -2 1 343.379 2.970 20 30 EFEDML C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001602807679 1096374392 /nfs/dbraw/zinc/37/43/92/1096374392.db2.gz RWGFKJXYCHUWPG-UHFFFAOYSA-N -2 1 333.356 2.544 20 30 EFEDML C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001602860791 1096387760 /nfs/dbraw/zinc/38/77/60/1096387760.db2.gz QDQZIYTUIIXGHM-SECBINFHSA-N -2 1 333.356 2.686 20 30 EFEDML O=C(C=Cc1nc(-c2nnn[n-]2)cs1)c1cc(Cl)ccc1[O-] ZINC001606487118 1097406562 /nfs/dbraw/zinc/40/65/62/1097406562.db2.gz GLNDWWRHBYPNIZ-ONEGZZNKSA-N -2 1 333.760 2.578 20 30 EFEDML O=C(C=Cc1nc(-c2nn[n-]n2)cs1)c1cc(Cl)ccc1[O-] ZINC001606487118 1097406566 /nfs/dbraw/zinc/40/65/66/1097406566.db2.gz GLNDWWRHBYPNIZ-ONEGZZNKSA-N -2 1 333.760 2.578 20 30 EFEDML Cc1ccc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)cc1C(=O)[O-] ZINC001607808129 1097740411 /nfs/dbraw/zinc/74/04/11/1097740411.db2.gz DTMLOQNFMQGTGB-UHFFFAOYSA-N -2 1 336.351 2.818 20 30 EFEDML CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001609556662 1098379961 /nfs/dbraw/zinc/37/99/61/1098379961.db2.gz AUUADLKMXBUOCX-UHFFFAOYSA-N -2 1 328.324 2.684 20 30 EFEDML CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC001610068788 1098537161 /nfs/dbraw/zinc/53/71/61/1098537161.db2.gz ZLPIZZMSDCXBPA-UHFFFAOYSA-N -2 1 344.392 2.814 20 30 EFEDML Cc1cc(=O)[n-]c(NN=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)n1 ZINC001610475579 1098699001 /nfs/dbraw/zinc/69/90/01/1098699001.db2.gz CMQCFAHSJZVBJR-UHFFFAOYSA-N -2 1 338.323 2.895 20 30 EFEDML C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000360863104 242212388 /nfs/dbraw/zinc/21/23/88/242212388.db2.gz ZCIKJGLKLHWKMC-UHFFFAOYSA-N -2 1 347.392 2.679 20 30 EFEDML Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000078814101 217126876 /nfs/dbraw/zinc/12/68/76/217126876.db2.gz AQMULMWTBWYROS-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc(C(=O)[O-])c1C ZINC000079107647 217195328 /nfs/dbraw/zinc/19/53/28/217195328.db2.gz WTIVITMZYXVBKH-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000356491459 147259549 /nfs/dbraw/zinc/25/95/49/147259549.db2.gz SCJOFFKKJRQHDN-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc(C(=O)[O-])c1 ZINC000350482539 267349002 /nfs/dbraw/zinc/34/90/02/267349002.db2.gz SFSCIRQKCKCQOE-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML N#Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1Cl ZINC000055548560 292654577 /nfs/dbraw/zinc/65/45/77/292654577.db2.gz OVMVNBVJXKMMHA-UHFFFAOYSA-N -2 1 336.756 2.711 20 30 EFEDML N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000337796082 303157377 /nfs/dbraw/zinc/15/73/77/303157377.db2.gz DIQBRFJVLIBBRU-UHFFFAOYSA-N -2 1 344.392 2.571 20 30 EFEDML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000045945745 472488773 /nfs/dbraw/zinc/48/87/73/472488773.db2.gz JAWZOYJVNMSABX-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000060800308 472678149 /nfs/dbraw/zinc/67/81/49/472678149.db2.gz AQEGRYCYYSCCKR-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000184653483 474575972 /nfs/dbraw/zinc/57/59/72/474575972.db2.gz GCLNZMAOKLSIHM-GFCCVEGCSA-N -2 1 344.392 2.622 20 30 EFEDML C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000184659500 474576657 /nfs/dbraw/zinc/57/66/57/474576657.db2.gz UXZSTNSEDJCCKT-GFCCVEGCSA-N -2 1 344.392 2.622 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C(=O)[O-])c1 ZINC000324174296 474961751 /nfs/dbraw/zinc/96/17/51/474961751.db2.gz LECCUCJDZJOMRT-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])ccc1C#N ZINC000324165130 474962593 /nfs/dbraw/zinc/96/25/93/474962593.db2.gz RXXRTRZMVNWOKI-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML Cc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1C(=O)[O-] ZINC000355843807 476066664 /nfs/dbraw/zinc/06/66/64/476066664.db2.gz MYRGGPJFYQDSDE-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML C[C@H](Oc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1)C(=O)[O-] ZINC000375581727 476902711 /nfs/dbraw/zinc/90/27/11/476902711.db2.gz KRZHZKAWTDDXDR-MDKXCRPYSA-N -2 1 326.304 2.860 20 30 EFEDML CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C)cc(Br)c1[O-] ZINC000416945883 477381415 /nfs/dbraw/zinc/38/14/15/477381415.db2.gz FIQVNOLHJGOMJL-MRVPVSSYSA-N -2 1 333.207 2.507 20 30 EFEDML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000060800284 525795253 /nfs/dbraw/zinc/79/52/53/525795253.db2.gz KUYIBLUHVATOOL-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML C[C@H](Oc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1)C(=O)[O-] ZINC000757467886 575839796 /nfs/dbraw/zinc/83/97/96/575839796.db2.gz NZHJHFVXUCQXOY-XOIDGJRKSA-N -2 1 328.320 2.846 20 30 EFEDML COc1ccc([O-])c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c1 ZINC000757467735 575839896 /nfs/dbraw/zinc/83/98/96/575839896.db2.gz JCNJDXYJAPBOBP-XBXARRHUSA-N -2 1 328.320 2.760 20 30 EFEDML COc1ccc([O-])c(C(=O)/C=C/c2cccc(OCC(=O)[O-])c2)c1 ZINC000757467380 575839946 /nfs/dbraw/zinc/83/99/46/575839946.db2.gz DRULZPDXCALCDL-FNORWQNLSA-N -2 1 328.320 2.760 20 30 EFEDML O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000757472504 575840057 /nfs/dbraw/zinc/84/00/57/575840057.db2.gz JLOSSDZHCAZVKE-GORDUTHDSA-N -2 1 329.264 2.600 20 30 EFEDML O=c1c2ccccc2[n-]c(=S)n1N=Cc1cccc([O-])c1Cl ZINC000814780611 1287034433 /nfs/dbraw/zinc/03/44/33/1287034433.db2.gz ALPULPWRKYGKOR-UHFFFAOYSA-N -2 1 331.784 2.926 20 30 EFEDML Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)cc1C(=O)[O-] ZINC001184699180 1290496156 /nfs/dbraw/zinc/49/61/56/1290496156.db2.gz MRJQNBZEMFKPCK-UHFFFAOYSA-N -2 1 348.355 2.813 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C#N ZINC001185905936 1290783020 /nfs/dbraw/zinc/78/30/20/1290783020.db2.gz FIJJBVGUKPHOBZ-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc(C(=O)[O-])c1F ZINC000133309701 1293841298 /nfs/dbraw/zinc/84/12/98/1293841298.db2.gz BVTWGDRUWQGZOY-UHFFFAOYSA-N -2 1 348.355 2.699 20 30 EFEDML O=S(=O)([O-])CCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001224569573 1311408584 /nfs/dbraw/zinc/40/85/84/1311408584.db2.gz VPVIJAWHWGJULJ-CFBLSMTOSA-N -2 1 335.381 2.511 20 30 EFEDML O=S(=O)([O-])CCCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001224893204 1311447500 /nfs/dbraw/zinc/44/75/00/1311447500.db2.gz JEEKLXDXOLDMFF-FXBHHXAOSA-N -2 1 349.408 2.901 20 30 EFEDML N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3[O-])s2)cc1 ZINC001258026811 1316114073 /nfs/dbraw/zinc/11/40/73/1316114073.db2.gz LLFDMCBLZHXEJU-UHFFFAOYSA-N -2 1 331.378 2.674 20 30 EFEDML COc1ccc(C=CC(=O)c2ccc(F)cc2[O-])cc1-c1nnn[n-]1 ZINC000821787431 1425255757 /nfs/dbraw/zinc/25/57/57/1425255757.db2.gz TVZSZPRBIQAZQC-KXFIGUGUSA-N -2 1 340.314 2.616 20 30 EFEDML O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc([O-])c(F)c1 ZINC000822922476 1425317635 /nfs/dbraw/zinc/31/76/35/1425317635.db2.gz GMBQPQNWJAYMCZ-HWKANZROSA-N -2 1 328.278 2.747 20 30 EFEDML COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c([O-])c1 ZINC000821770925 1425455575 /nfs/dbraw/zinc/45/55/75/1425455575.db2.gz ZXBUZXIVFYAVHH-QPJJXVBHSA-N -2 1 340.314 2.616 20 30 EFEDML CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(Cl)c2[O-])o1 ZINC000820202403 1425983453 /nfs/dbraw/zinc/98/34/53/1425983453.db2.gz HPYQAUXLJPIKMD-UHFFFAOYSA-N -2 1 347.766 2.783 20 30 EFEDML CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc(Cl)c2[O-])o1 ZINC000820202403 1425983456 /nfs/dbraw/zinc/98/34/56/1425983456.db2.gz HPYQAUXLJPIKMD-UHFFFAOYSA-N -2 1 347.766 2.783 20 30 EFEDML COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c([O-])c1 ZINC000821769751 1429964754 /nfs/dbraw/zinc/96/47/54/1429964754.db2.gz KMTIQASMENDUON-UTCJRWHESA-N -2 1 328.353 2.539 20 30 EFEDML O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc(F)c1[O-] ZINC000822922984 1442056802 /nfs/dbraw/zinc/05/68/02/1442056802.db2.gz LWIBECDEPJPIDM-ARJAWSKDSA-N -2 1 346.268 2.886 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)O2 ZINC000826271959 1442352440 /nfs/dbraw/zinc/35/24/40/1442352440.db2.gz OZBDZXKBEOHGJY-NSIKDUERSA-N -2 1 338.298 2.636 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)O2 ZINC000826271959 1442352445 /nfs/dbraw/zinc/35/24/45/1442352445.db2.gz OZBDZXKBEOHGJY-NSIKDUERSA-N -2 1 338.298 2.636 20 30 EFEDML O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)ccc1[O-] ZINC000822923835 1443207062 /nfs/dbraw/zinc/20/70/62/1443207062.db2.gz VRDQDNBKOPEOKY-HWKANZROSA-N -2 1 328.278 2.747 20 30 EFEDML O=C([O-])c1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826461742 1443383167 /nfs/dbraw/zinc/38/31/67/1443383167.db2.gz FLIFEWGZANQFCW-WAYWQWQTSA-N -2 1 326.337 2.523 20 30 EFEDML O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823645592 1443857191 /nfs/dbraw/zinc/85/71/91/1443857191.db2.gz UNIDJOOOPRESJV-UHFFFAOYSA-N -2 1 344.718 2.885 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c1 ZINC000152933656 726294714 /nfs/dbraw/zinc/29/47/14/726294714.db2.gz RWNKVTTXXQVQBO-UHFFFAOYSA-N -2 1 329.377 2.729 20 30 EFEDML Cc1cc(CN=Nc2ccc(C(=O)[O-])cc2)cc(C)c1OCC(=O)[O-] ZINC001600185378 1094851893 /nfs/dbraw/zinc/85/18/93/1094851893.db2.gz OLUUZRBKRRVSPB-UHFFFAOYSA-N -2 1 342.351 2.911 20 30 EFEDML Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC001600483184 1095100498 /nfs/dbraw/zinc/10/04/98/1095100498.db2.gz LDEPXLZMZBDSGI-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML N#Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)cc1[O-] ZINC001601094367 1095507189 /nfs/dbraw/zinc/50/71/89/1095507189.db2.gz TZBXEVGMRDMTJN-GOSISDBHSA-N -2 1 346.342 2.973 20 30 EFEDML O=C([O-])CCOc1cccc(CN=Nc2cccc(F)c2C(=O)[O-])c1 ZINC001602027978 1096025290 /nfs/dbraw/zinc/02/52/90/1096025290.db2.gz KRPMZQRCBYGPIF-UHFFFAOYSA-N -2 1 346.314 2.823 20 30 EFEDML N#Cc1ccc(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cc1[O-] ZINC001610626833 1098792753 /nfs/dbraw/zinc/79/27/53/1098792753.db2.gz XDVAALLZLSCAKT-HZPDHXFCSA-N -2 1 342.395 2.759 20 30 EFEDML O=C([O-])COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC001610785648 1098885300 /nfs/dbraw/zinc/88/53/00/1098885300.db2.gz JGBFKXFGWAZUAL-XFSBKJJWSA-N -2 1 343.291 2.660 20 30 EFEDML Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000045945862 213767211 /nfs/dbraw/zinc/76/72/11/213767211.db2.gz TWOYPJKKMLPPLY-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355851481 242049570 /nfs/dbraw/zinc/04/95/70/242049570.db2.gz YNGCAEZCDCKBOO-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179027514 473614321 /nfs/dbraw/zinc/61/43/21/473614321.db2.gz FBYHFBACTPUYQF-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2CC#N)c(C(=O)[O-])c1 ZINC000355844306 476066376 /nfs/dbraw/zinc/06/63/76/476066376.db2.gz OIBURYOUSIPNJR-UHFFFAOYSA-N -2 1 344.392 2.869 20 30 EFEDML Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000336865496 476149062 /nfs/dbraw/zinc/14/90/62/476149062.db2.gz WGBQVKQBAPOQTA-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML O=C([O-])CCOc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1 ZINC000377426135 476393573 /nfs/dbraw/zinc/39/35/73/476393573.db2.gz LUBCRAJXSWNHHD-CXUHLZMHSA-N -2 1 326.304 2.862 20 30 EFEDML C[C@@H](Oc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1)C(=O)[O-] ZINC000375581726 476903383 /nfs/dbraw/zinc/90/33/83/476903383.db2.gz KRZHZKAWTDDXDR-LYQMGENXSA-N -2 1 326.304 2.860 20 30 EFEDML Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C(=O)[O-] ZINC000619463103 479801107 /nfs/dbraw/zinc/80/11/07/479801107.db2.gz CZHAQNCWMOBVGI-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000152967296 524017467 /nfs/dbraw/zinc/01/74/67/524017467.db2.gz YTMKQTYHCOWUSJ-UHFFFAOYSA-N -2 1 348.355 2.759 20 30 EFEDML Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1C#N ZINC000178596101 524805590 /nfs/dbraw/zinc/80/55/90/524805590.db2.gz NVMFUYFTXBXPNM-UHFFFAOYSA-N -2 1 334.328 2.505 20 30 EFEDML COc1cc(C(=O)[O-])ccc1NN=C(C)c1ccc(C(=O)[O-])cc1 ZINC000756899323 575798535 /nfs/dbraw/zinc/79/85/35/575798535.db2.gz WLWVSVQHRMZOAK-UHFFFAOYSA-N -2 1 328.324 2.928 20 30 EFEDML COc1cc(C(=O)[O-])ccc1N=NC(C)c1cccc(C(=O)[O-])c1 ZINC000756906087 575799673 /nfs/dbraw/zinc/79/96/73/575799673.db2.gz SXMIWEWDULJZKS-UHFFFAOYSA-N -2 1 328.324 2.928 20 30 EFEDML C#CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000736090207 599838653 /nfs/dbraw/zinc/83/86/53/599838653.db2.gz XMBQDTFOBYDDHT-UHFFFAOYSA-N -2 1 345.376 2.506 20 30 EFEDML C[C@@H](Oc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1)C(=O)[O-] ZINC000794888482 602071143 /nfs/dbraw/zinc/07/11/43/602071143.db2.gz QVEGKCRPGXJINV-LLVKDONJSA-N -2 1 328.324 2.683 20 30 EFEDML C[C@H](Oc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1)C(=O)[O-] ZINC000794702413 602112365 /nfs/dbraw/zinc/11/23/65/602112365.db2.gz QDJRHYQXDAICLK-OHYQPGSNSA-N -2 1 328.320 2.846 20 30 EFEDML Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(OCC(=O)[O-])cc1)O2 ZINC000833746682 605147618 /nfs/dbraw/zinc/14/76/18/605147618.db2.gz GHNNPNQXJYDADT-VIZOYTHASA-N -2 1 326.304 2.780 20 30 EFEDML N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)c1 ZINC001190651039 1292264598 /nfs/dbraw/zinc/26/45/98/1292264598.db2.gz USITUHYAGLPRRS-UHFFFAOYSA-N -2 1 326.736 2.857 20 30 EFEDML C#Cc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1 ZINC000133231616 1293802179 /nfs/dbraw/zinc/80/21/79/1293802179.db2.gz TYMOFSLWZZHANP-UHFFFAOYSA-N -2 1 333.340 2.614 20 30 EFEDML CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198770424 1295244011 /nfs/dbraw/zinc/24/40/11/1295244011.db2.gz DBYZROAZWOFMHS-UHFFFAOYSA-N -2 1 330.365 2.620 20 30 EFEDML C[C@H](C#N)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198779705 1295249105 /nfs/dbraw/zinc/24/91/05/1295249105.db2.gz UWTJPSRMPPPSHC-LLVKDONJSA-N -2 1 330.365 2.813 20 30 EFEDML Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C#N ZINC001198792861 1295261069 /nfs/dbraw/zinc/26/10/69/1295261069.db2.gz VOBOFANOOZCADH-UHFFFAOYSA-N -2 1 330.365 2.674 20 30 EFEDML Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc(C(=O)[O-])c1 ZINC000795365172 1300850449 /nfs/dbraw/zinc/85/04/49/1300850449.db2.gz HAHFEBDQKUEHNY-UHFFFAOYSA-N -2 1 330.365 2.560 20 30 EFEDML COc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)ccc1OCC(=O)[O-] ZINC000780188150 1313931932 /nfs/dbraw/zinc/93/19/32/1313931932.db2.gz LLHYBVATQVOVKF-MLPAPPSSSA-N -2 1 340.331 2.687 20 30 EFEDML N#Cc1ccccc1S(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001258185215 1316129030 /nfs/dbraw/zinc/12/90/30/1316129030.db2.gz NOPAPUWEEAUMDP-UHFFFAOYSA-N -2 1 331.378 2.674 20 30 EFEDML COc1ccc(C=CC(=O)c2ccc(C)cc2[O-])cc1-c1nnn[n-]1 ZINC000821786588 1428933917 /nfs/dbraw/zinc/93/39/17/1428933917.db2.gz FXLSJOPPCBKHHK-DAXSKMNVSA-N -2 1 336.351 2.785 20 30 EFEDML O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)cc(F)c1[O-] ZINC000826402123 1428923054 /nfs/dbraw/zinc/92/30/54/1428923054.db2.gz NLFDAGHCZZSELS-WAYWQWQTSA-N -2 1 328.278 2.747 20 30 EFEDML C=C[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccccc1 ZINC000823883287 1449236488 /nfs/dbraw/zinc/23/64/88/1449236488.db2.gz NGSQMNJBPSIGBH-LBPRGKRZSA-N -2 1 335.367 2.871 20 30 EFEDML