smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#Cc1cccc(N(C)Cc2cc(Cl)cc(-c3nnn[n-]3)c2)c1 ZINC001573290704 946911118 /nfs/dbraw/zinc/91/11/18/946911118.db2.gz OFVSVOLFBWOIQE-UHFFFAOYSA-N -1 3 323.787 3.138 20 30 DGEDHM C#Cc1cccc(N(C)Cc2cc(Cl)cc(-c3nn[n-]n3)c2)c1 ZINC001573290704 946911122 /nfs/dbraw/zinc/91/11/22/946911122.db2.gz OFVSVOLFBWOIQE-UHFFFAOYSA-N -1 3 323.787 3.138 20 30 DGEDHM C=C[C@H](OC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1 ZINC001573314908 947239458 /nfs/dbraw/zinc/23/94/58/947239458.db2.gz HUAVIWNLCUPKIU-ZDUSSCGKSA-N -1 3 312.354 3.012 20 30 DGEDHM C=C[C@H](OC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1 ZINC001573314908 947239464 /nfs/dbraw/zinc/23/94/64/947239464.db2.gz HUAVIWNLCUPKIU-ZDUSSCGKSA-N -1 3 312.354 3.012 20 30 DGEDHM C=CCCCCOc1c(C(=O)CC)cccc1-c1nnn[n-]1 ZINC001573334562 947459912 /nfs/dbraw/zinc/45/99/12/947459912.db2.gz FOCJIJJOGLIPOJ-UHFFFAOYSA-N -1 3 300.362 3.195 20 30 DGEDHM C=CCCCCOc1c(C(=O)CC)cccc1-c1nn[n-]n1 ZINC001573334562 947459918 /nfs/dbraw/zinc/45/99/18/947459918.db2.gz FOCJIJJOGLIPOJ-UHFFFAOYSA-N -1 3 300.362 3.195 20 30 DGEDHM CC(C)c1[nH]c(CN[C@H]2CCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001591916634 976369193 /nfs/dbraw/zinc/36/91/93/976369193.db2.gz PLGDCKZNOMYGNX-KRWDZBQOSA-N -1 3 323.396 3.485 20 30 DGEDHM CC[C@](C)(C(=O)[O-])N(CC#Cc1ccc(F)cc1)CC1CC1 ZINC001594778560 981778783 /nfs/dbraw/zinc/77/87/83/981778783.db2.gz VJYOWEFXGCQYRL-GOSISDBHSA-N -1 3 303.377 3.143 20 30 DGEDHM C#CC1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001588383161 983378173 /nfs/dbraw/zinc/37/81/73/983378173.db2.gz OQPGALLWTISFAX-UHFFFAOYSA-N -1 3 311.303 3.249 20 30 DGEDHM C#CC[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001588434290 983469457 /nfs/dbraw/zinc/46/94/57/983469457.db2.gz IUZXNKPHKXOIQR-QMTHXVAHSA-N -1 3 312.196 3.464 20 30 DGEDHM C=C(C)CCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588559176 983639881 /nfs/dbraw/zinc/63/98/81/983639881.db2.gz JXDXHZSDNJNCJV-INIZCTEOSA-N -1 3 322.836 3.050 20 30 DGEDHM CCN(Cc1cc(C(=O)[O-])c(C)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC001596354434 983818100 /nfs/dbraw/zinc/81/81/00/983818100.db2.gz QQJLUMNIBAUCRT-ZDUSSCGKSA-N -1 3 311.385 3.476 20 30 DGEDHM C=C[C@@H]1OCC[C@H]1NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001588919498 984572817 /nfs/dbraw/zinc/57/28/17/984572817.db2.gz BKJNFMWQTDXTOY-CVEARBPZSA-N -1 3 313.353 3.078 20 30 DGEDHM CC(C)(NCc1cc(C(=O)[O-])cs1)c1cccc(C#N)c1 ZINC001590871370 990777397 /nfs/dbraw/zinc/77/73/97/990777397.db2.gz OYSPDZIUWBARJI-UHFFFAOYSA-N -1 3 300.383 3.343 20 30 DGEDHM CCCCN([O-])C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC001184314580 1084147951 /nfs/dbraw/zinc/14/79/51/1084147951.db2.gz ASZQZSUEYKASIM-UHFFFAOYSA-N -1 3 320.370 3.170 20 30 DGEDHM Cc1ccc2nc(C(=O)N([O-])CCCCc3ccccc3)cn2c1 ZINC001184293257 1084155577 /nfs/dbraw/zinc/15/55/77/1084155577.db2.gz LUJIVPUWUGDXQN-UHFFFAOYSA-N -1 3 323.396 3.497 20 30 DGEDHM CCN(C)[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001184348776 1084165432 /nfs/dbraw/zinc/16/54/32/1084165432.db2.gz UQNMHFHTESUYLU-QGZVFWFLSA-N -1 3 316.376 3.237 20 30 DGEDHM O=C([C@H]1CCOc2c(F)cccc21)N([O-])Cc1ccc(F)cc1 ZINC001184348143 1084166001 /nfs/dbraw/zinc/16/60/01/1084166001.db2.gz LFIADJCREJZZSH-AWEZNQCLSA-N -1 3 319.307 3.249 20 30 DGEDHM Cc1nccc(C(F)(F)F)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001185053875 1084324010 /nfs/dbraw/zinc/32/40/10/1084324010.db2.gz CIJWYAYBOYHJPL-UHFFFAOYSA-N -1 3 321.258 3.238 20 30 DGEDHM CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001187328183 1084785718 /nfs/dbraw/zinc/78/57/18/1084785718.db2.gz MNMOPFGQRKJAMZ-UHFFFAOYSA-N -1 3 323.352 3.111 20 30 DGEDHM C[C@H](Oc1nccc(/C=N/[O-])n1)c1ccc(Br)cc1 ZINC001226253290 1086002883 /nfs/dbraw/zinc/00/28/83/1086002883.db2.gz GKKQFLYRVAGSAA-VKPPLCHCSA-N -1 3 322.162 3.187 20 30 DGEDHM N#Cc1cc(NC(=O)c2cccc3cc(O)ccc32)ccc1[O-] ZINC001152044293 1087882204 /nfs/dbraw/zinc/88/22/04/1087882204.db2.gz RRLHXHPIDJIGIZ-UHFFFAOYSA-N -1 3 304.305 3.375 20 30 DGEDHM CCOC(=O)[C@@H](C#N)[N-]c1c(Cl)ccc2ccc(Cl)nc21 ZINC001159326971 1088295860 /nfs/dbraw/zinc/29/58/60/1088295860.db2.gz SXVYMGJNLUYMQJ-SNVBAGLBSA-N -1 3 324.167 3.409 20 30 DGEDHM Cc1ncc(C#N)cc1NC(=O)c1c([O-])cc2ccccc2c1O ZINC001154023397 1088444949 /nfs/dbraw/zinc/44/49/49/1088444949.db2.gz UUYUZLRIWQZQRM-UHFFFAOYSA-N -1 3 319.320 3.078 20 30 DGEDHM N#C[C@H]1CC[C@H](NC(=O)c2c(O)cc3ccccc3c2[O-])CC1 ZINC001154030586 1088447675 /nfs/dbraw/zinc/44/76/75/1088447675.db2.gz GSUAYJSFPPKDCL-AULYBMBSSA-N -1 3 310.353 3.063 20 30 DGEDHM CCCCCCN([O-])C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC001161826507 1089426581 /nfs/dbraw/zinc/42/65/81/1089426581.db2.gz CSGUKZXPWPXFCD-OAHLLOKOSA-N -1 3 318.417 3.376 20 30 DGEDHM CCCCCCN([O-])C(=O)CCN(Cc1ccccc1)C(C)=O ZINC001161826899 1089426798 /nfs/dbraw/zinc/42/67/98/1089426798.db2.gz OTCKIVQBUWFYDM-UHFFFAOYSA-N -1 3 320.433 3.223 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 ZINC001161826844 1089427139 /nfs/dbraw/zinc/42/71/39/1089427139.db2.gz MXHDUJFJKGSBQX-QGZVFWFLSA-N -1 3 320.433 3.360 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 ZINC001161827119 1089427159 /nfs/dbraw/zinc/42/71/59/1089427159.db2.gz UZEFKWMRUSLEIP-CQSZACIVSA-N -1 3 307.390 3.455 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C ZINC001161827110 1089427506 /nfs/dbraw/zinc/42/75/06/1089427506.db2.gz UXTLHALSBMJHAP-CYBMUJFWSA-N -1 3 316.442 3.430 20 30 DGEDHM O=C(CCc1nc2ccccc2[nH]1)N([O-])Cc1ccc(F)cc1 ZINC001161842747 1089434715 /nfs/dbraw/zinc/43/47/15/1089434715.db2.gz NCZDQOXFLOBCLM-UHFFFAOYSA-N -1 3 313.332 3.053 20 30 DGEDHM [O-]/N=C/c1cccc(NCc2ccc(Br)nc2)c1 ZINC001162014698 1089526757 /nfs/dbraw/zinc/52/67/57/1089526757.db2.gz DLIFLZLQTIQQFL-RQZCQDPDSA-N -1 3 306.163 3.264 20 30 DGEDHM CC(C)C[C@](C)(C#N)NC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001162518351 1089769539 /nfs/dbraw/zinc/76/95/39/1089769539.db2.gz LAWDUWQDGUFNCQ-LLVKDONJSA-N -1 3 320.796 3.386 20 30 DGEDHM C=CCOc1cc(C)nc([N-][C@H](c2ccccn2)C(F)(F)F)n1 ZINC001157684498 1090072500 /nfs/dbraw/zinc/07/25/00/1090072500.db2.gz NYTKVOUUTPPVHN-CYBMUJFWSA-N -1 3 324.306 3.460 20 30 DGEDHM N#Cc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168528690 1090360954 /nfs/dbraw/zinc/36/09/54/1090360954.db2.gz ZIVDDIXYIUXXJE-UHFFFAOYSA-N -1 3 310.744 3.473 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(NC(C)=O)cc2)ccc1[O-] ZINC000213712140 1090548428 /nfs/dbraw/zinc/54/84/28/1090548428.db2.gz KQYKTXBSKXZCKP-UITAMQMPSA-N -1 3 311.337 3.255 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cn(-c2ccccc2Cl)nn1 ZINC001649057434 1090581442 /nfs/dbraw/zinc/58/14/42/1090581442.db2.gz YGMMVUNGPCBQPC-UHFFFAOYSA-N -1 3 322.796 3.332 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)ncc1C#N ZINC001649070325 1090588874 /nfs/dbraw/zinc/58/88/74/1090588874.db2.gz WSXQLLLCABUILV-UHFFFAOYSA-N -1 3 317.348 3.447 20 30 DGEDHM CP(C)(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001649075682 1090589321 /nfs/dbraw/zinc/58/93/21/1090589321.db2.gz BFHAYZVHILRSCH-UHFFFAOYSA-N -1 3 321.288 3.105 20 30 DGEDHM CCCCCCCC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC001295154762 1091516840 /nfs/dbraw/zinc/51/68/40/1091516840.db2.gz IZMYFYVKIKCRAN-CYBMUJFWSA-N -1 3 316.442 3.308 20 30 DGEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(CC)cc1[O-] ZINC000820449574 1091624751 /nfs/dbraw/zinc/62/47/51/1091624751.db2.gz YGCZFKIBZPULOY-HNNXBMFYSA-N -1 3 301.386 3.095 20 30 DGEDHM Cc1nc2ccccc2c(C(=O)N[C@@H](C#N)c2ccccc2)c1[O-] ZINC001149185197 1092667235 /nfs/dbraw/zinc/66/72/35/1092667235.db2.gz AOKWSVAMVJINMT-INIZCTEOSA-N -1 3 317.348 3.244 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc2ccsc21 ZINC001149518491 1092703953 /nfs/dbraw/zinc/70/39/53/1092703953.db2.gz XOZDTBLTPPVLDF-UHFFFAOYSA-N -1 3 311.366 3.340 20 30 DGEDHM Cc1cc2cc(C(=O)N([O-])C(=N)c3ccccc3N)ccc2o1 ZINC001150744755 1092816554 /nfs/dbraw/zinc/81/65/54/1092816554.db2.gz DDLJXIQNCKXVQO-UHFFFAOYSA-N -1 3 309.325 3.180 20 30 DGEDHM N#Cc1ccc(Nc2cc(Br)cc(F)c2[O-])cn1 ZINC001209646967 1092861506 /nfs/dbraw/zinc/86/15/06/1092861506.db2.gz PUBCPOHLKYPOSS-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM COC(=O)c1cc(F)c(Nc2ccc([O-])c(C#N)c2)c(C)c1F ZINC001210534524 1093199105 /nfs/dbraw/zinc/19/91/05/1093199105.db2.gz LLMBBFSVUBREAH-UHFFFAOYSA-N -1 3 318.279 3.381 20 30 DGEDHM CCOC(=O)c1c(C)oc(Nc2cc([O-])ccc2F)c1C#N ZINC001210799935 1093286050 /nfs/dbraw/zinc/28/60/50/1093286050.db2.gz MPSXRXGJHCEFRV-UHFFFAOYSA-N -1 3 304.277 3.225 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(C#N)c(C)c1 ZINC001210809432 1093288015 /nfs/dbraw/zinc/28/80/15/1093288015.db2.gz SQJCMAHRBCJFPR-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM COc1cccc(-c2nc(-c3ccc(C#N)c(C)c3)no2)c1[O-] ZINC001215143687 1093926201 /nfs/dbraw/zinc/92/62/01/1093926201.db2.gz LGVVAIAOHFXTSP-UHFFFAOYSA-N -1 3 307.309 3.298 20 30 DGEDHM Cc1nc([N-]c2c(F)ccc([N+](=O)[O-])c2F)c(C#N)cc1C#N ZINC001215286901 1093951722 /nfs/dbraw/zinc/95/17/22/1093951722.db2.gz ACXCJPBFPLWIEU-UHFFFAOYSA-N -1 3 315.239 3.063 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(COc2ccccc2)cs1 ZINC001219640522 1094998258 /nfs/dbraw/zinc/99/82/58/1094998258.db2.gz KDNNOAHUMBLUFM-LLVKDONJSA-N -1 3 319.386 3.350 20 30 DGEDHM CCOc1ncc(C([O-])=C(C#N)c2cccc(F)n2)cc1Cl ZINC001122713645 1095041471 /nfs/dbraw/zinc/04/14/71/1095041471.db2.gz CDSLELGJRXBVKG-JTQLQIEISA-N -1 3 319.723 3.158 20 30 DGEDHM N#CC1(NC(=O)c2cc3sccc3c([O-])c2)CCSCC1 ZINC001137574148 1095681767 /nfs/dbraw/zinc/68/17/67/1095681767.db2.gz VLDAPEYQJDDNPT-UHFFFAOYSA-N -1 3 318.423 3.126 20 30 DGEDHM N#Cc1oc2ccccc2c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144622704 1095739650 /nfs/dbraw/zinc/73/96/50/1095739650.db2.gz BWYQRSKAJMCARX-UHFFFAOYSA-N -1 3 310.284 3.330 20 30 DGEDHM C=C[C@@H](C)O[C@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223398381 1095958066 /nfs/dbraw/zinc/95/80/66/1095958066.db2.gz BJTKHMJVCRWDDH-CLAHSXSESA-N -1 3 312.728 3.259 20 30 DGEDHM C=C[C@@H](C)O[C@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223398381 1095958067 /nfs/dbraw/zinc/95/80/67/1095958067.db2.gz BJTKHMJVCRWDDH-CLAHSXSESA-N -1 3 312.728 3.259 20 30 DGEDHM COCOCCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001224820578 1096291868 /nfs/dbraw/zinc/29/18/68/1096291868.db2.gz RXMWUGOEJSXIPD-LYHOESIGSA-N -1 3 315.369 3.243 20 30 DGEDHM CCN(CC)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001148277753 1096346431 /nfs/dbraw/zinc/34/64/31/1096346431.db2.gz VISIPHHDOHENOE-UHFFFAOYSA-N -1 3 309.369 3.362 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CC[C@H](OCc3ccccc3)C2)[n-]1 ZINC001225469043 1096439787 /nfs/dbraw/zinc/43/97/87/1096439787.db2.gz XITADHYEIWCJSQ-JKSUJKDBSA-N -1 3 324.380 3.484 20 30 DGEDHM COc1ccc([C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)cc1OC ZINC001225469478 1096439916 /nfs/dbraw/zinc/43/99/16/1096439916.db2.gz KTXWSBSJALQGKT-LLVKDONJSA-N -1 3 314.341 3.125 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCc3c2nccc3Cl)[n-]1 ZINC001225467217 1096440056 /nfs/dbraw/zinc/44/00/56/1096440056.db2.gz NNGWJXIPXGDPCW-ZDUSSCGKSA-N -1 3 301.733 3.082 20 30 DGEDHM N#CC[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1 ZINC001225580283 1096473265 /nfs/dbraw/zinc/47/32/65/1096473265.db2.gz WICYJMLCMVVUCD-LLVKDONJSA-N -1 3 309.247 3.235 20 30 DGEDHM FC(F)(F)c1cc(O[C@@H]2CC(F)(F)C2(F)F)nc(=S)[n-]1 ZINC001225851199 1096545390 /nfs/dbraw/zinc/54/53/90/1096545390.db2.gz SJOSLIIJDWOLSJ-SCSAIBSYSA-N -1 3 322.205 3.206 20 30 DGEDHM N#C[C@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)c1ccccc1 ZINC001225853406 1096546523 /nfs/dbraw/zinc/54/65/23/1096546523.db2.gz PYLPSBNBEVKYKT-VIFPVBQESA-N -1 3 311.288 3.428 20 30 DGEDHM CCC[C@H](Oc1nccc(/C=N/[O-])n1)c1ccc(OC)cc1 ZINC001226256258 1096647528 /nfs/dbraw/zinc/64/75/28/1096647528.db2.gz PHABOWPPRSTROD-LZNAANCOSA-N -1 3 301.346 3.214 20 30 DGEDHM C[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)[C@H](C)S ZINC001227941490 1097017530 /nfs/dbraw/zinc/01/75/30/1097017530.db2.gz URHRHHMJNWIBDC-MNOVXSKESA-N -1 3 318.394 3.414 20 30 DGEDHM C#C[C@H](CCCC)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228080769 1097047062 /nfs/dbraw/zinc/04/70/62/1097047062.db2.gz YPNDURRXOFBEQT-GFCCVEGCSA-N -1 3 304.342 3.248 20 30 DGEDHM CC[C@@H](C#Cc1ccccc1)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688641 1097167914 /nfs/dbraw/zinc/16/79/14/1097167914.db2.gz LXUZUSPLRHRGHY-AWEZNQCLSA-N -1 3 312.325 3.213 20 30 DGEDHM CC[C@@H](C#CC(=O)OC)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228960077 1097227415 /nfs/dbraw/zinc/22/74/15/1097227415.db2.gz UITAABZFWBKMBM-ZDUSSCGKSA-N -1 3 318.369 3.052 20 30 DGEDHM CCOC(=O)[C@H]1CC[C@H](Oc2ccccc2/C(C)=N/[O-])CC1 ZINC001229737172 1097374446 /nfs/dbraw/zinc/37/44/46/1097374446.db2.gz QVEKOLSUZUWKDR-MCXIGMDXSA-N -1 3 305.374 3.386 20 30 DGEDHM CCN(CC)C(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001174065018 1097587981 /nfs/dbraw/zinc/58/79/81/1097587981.db2.gz SCRNAUGHSJJONT-UHFFFAOYSA-N -1 3 309.369 3.489 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2nc(=O)[n-]c3c2SCC3)O1 ZINC001230793309 1097588694 /nfs/dbraw/zinc/58/86/94/1097588694.db2.gz ZCAWHWVNWKJQBB-MEDUHNTESA-N -1 3 322.430 3.112 20 30 DGEDHM C#C[C@@H](Oc1ccccc1Oc1ccccc1[O-])C(=O)OCC ZINC001231222701 1097697044 /nfs/dbraw/zinc/69/70/44/1097697044.db2.gz INPOISDHPJMMQI-CQSZACIVSA-N -1 3 312.321 3.128 20 30 DGEDHM C#CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCc2ccccc21 ZINC001231452248 1097751605 /nfs/dbraw/zinc/75/16/05/1097751605.db2.gz INLORARHRFSTSY-GOSISDBHSA-N -1 3 321.376 3.213 20 30 DGEDHM C#CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCc2ccccc21 ZINC001231452248 1097751610 /nfs/dbraw/zinc/75/16/10/1097751610.db2.gz INLORARHRFSTSY-GOSISDBHSA-N -1 3 321.376 3.213 20 30 DGEDHM N#CC=C([O-])c1ccccc1OC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001233525307 1098364519 /nfs/dbraw/zinc/36/45/19/1098364519.db2.gz UJPZEQIKOHHVTQ-RDTXWAMCSA-N -1 3 315.369 3.238 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC(Oc2cc([O-])cc(C#N)c2)CC1 ZINC001234139644 1098503186 /nfs/dbraw/zinc/50/31/86/1098503186.db2.gz ISYVSHDIAZCSQM-UHFFFAOYSA-N -1 3 318.373 3.042 20 30 DGEDHM CCCCOC[C@H](C)OC[C@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234144209 1098503950 /nfs/dbraw/zinc/50/39/50/1098503950.db2.gz LDARVZWYSHKVNW-KBPBESRZSA-N -1 3 307.390 3.253 20 30 DGEDHM Cc1ccc(N2CCC[C@@H](Oc3cc([O-])cc(C#N)c3)C2)nc1 ZINC001234144399 1098503970 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3 324.265 3.062 20 30 DGEDHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169263606 296339228 /nfs/dbraw/zinc/33/92/28/296339228.db2.gz IQQJAGXLUYVFOQ-MFKMUULPSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1nn(C)c2sc(C(=O)[N-]c3sccc3C#N)cc12 ZINC000120216609 195121054 /nfs/dbraw/zinc/12/10/54/195121054.db2.gz YXRALCYDSWEQCF-UHFFFAOYSA-N -1 3 302.384 3.129 20 30 DGEDHM Cc1cc(C#N)nc([N-]c2cn(CC(C)C)nc2C(F)F)n1 ZINC000342754075 254043798 /nfs/dbraw/zinc/04/37/98/254043798.db2.gz NYAXLEWLHXOLCP-UHFFFAOYSA-N -1 3 306.320 3.190 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000344209532 254240115 /nfs/dbraw/zinc/24/01/15/254240115.db2.gz ANHPEDGMFGHEIA-UHFFFAOYSA-N -1 3 319.317 3.482 20 30 DGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000344235019 254242619 /nfs/dbraw/zinc/24/26/19/254242619.db2.gz PZVOVPRGENDISA-ZDUSSCGKSA-N -1 3 324.789 3.234 20 30 DGEDHM COC(=O)c1ccc(C(=O)[N-]c2scc(C)c2C#N)c(F)c1 ZINC000344907839 254315323 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O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000026252886 400255528 /nfs/dbraw/zinc/25/55/28/400255528.db2.gz RJXDQCXBCWCSLY-RKDXNWHRSA-N -1 3 314.242 3.354 20 30 DGEDHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610080929 400212403 /nfs/dbraw/zinc/21/24/03/400212403.db2.gz ZIVKNKZNIBLZTF-UHFFFAOYSA-N -1 3 312.410 3.190 20 30 DGEDHM COc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000610676090 400289368 /nfs/dbraw/zinc/28/93/68/400289368.db2.gz SOKUTISUHUAWSS-UHFFFAOYSA-N -1 3 322.773 3.021 20 30 DGEDHM Cc1nc(C(=O)[N-]c2nnc(-c3ccccc3)s2)ccc1C#N ZINC000028966309 400295451 /nfs/dbraw/zinc/29/54/51/400295451.db2.gz ZXDBJYCBPWZXAL-UHFFFAOYSA-N -1 3 321.365 3.033 20 30 DGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000611114286 400347155 /nfs/dbraw/zinc/34/71/55/400347155.db2.gz FEQOXERLSGCUBP-LLVKDONJSA-N -1 3 321.229 3.210 20 30 DGEDHM Cc1ncc(CO)c(/C=N/c2ccc3oc(C4CC4)nc3c2)c1[O-] ZINC000031854798 400355696 /nfs/dbraw/zinc/35/56/96/400355696.db2.gz 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400711121 /nfs/dbraw/zinc/71/11/21/400711121.db2.gz YSEFGBIQLDBXLF-KRWDZBQOSA-N -1 3 306.365 3.244 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccc(F)cc1 ZINC000179848844 400880567 /nfs/dbraw/zinc/88/05/67/400880567.db2.gz NWFCCUIXPODYOM-HNNXBMFYSA-N -1 3 320.327 3.205 20 30 DGEDHM CCCc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n[nH]1 ZINC000605362919 400855004 /nfs/dbraw/zinc/85/50/04/400855004.db2.gz ZMGYWAKVFBIDTJ-GFCCVEGCSA-N -1 3 307.357 3.037 20 30 DGEDHM CCCc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)n[nH]1 ZINC000605362919 400855008 /nfs/dbraw/zinc/85/50/08/400855008.db2.gz ZMGYWAKVFBIDTJ-GFCCVEGCSA-N -1 3 307.357 3.037 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C(C)(C)C)[nH]n3)nc21 ZINC000605363416 400855518 /nfs/dbraw/zinc/85/55/18/400855518.db2.gz YJCLPUOZMWEHDC-NSHDSACASA-N -1 3 321.384 3.382 20 30 DGEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055256675 400860916 /nfs/dbraw/zinc/86/09/16/400860916.db2.gz CDKUHUKKMKBNPD-SECBINFHSA-N -1 3 320.336 3.044 20 30 DGEDHM CC[C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594744776 401168866 /nfs/dbraw/zinc/16/88/66/401168866.db2.gz OYVPOLXXNHPSDX-VIFPVBQESA-N -1 3 308.428 3.158 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594752429 401170198 /nfs/dbraw/zinc/17/01/98/401170198.db2.gz BYEIJCFAUYNBSN-SNVBAGLBSA-N -1 3 320.439 3.324 20 30 DGEDHM COc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190895606 432198263 /nfs/dbraw/zinc/19/82/63/432198263.db2.gz VNYLFCHRBMNXEK-CQSZACIVSA-N -1 3 303.321 3.128 20 30 DGEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc([O-])c1 ZINC000182554265 228369385 /nfs/dbraw/zinc/36/93/85/228369385.db2.gz VECRVXYIIHRCCB-UHFFFAOYSA-N -1 3 319.282 3.193 20 30 DGEDHM Cn1ncc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c1C#N ZINC000331187361 229021298 /nfs/dbraw/zinc/02/12/98/229021298.db2.gz VFEHZMGAKNFUJS-UHFFFAOYSA-N -1 3 313.386 3.159 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2nccc3ccccc32)cc(C)n1 ZINC000337531231 229049605 /nfs/dbraw/zinc/04/96/05/229049605.db2.gz VFGFTZBWQSREQX-INIZCTEOSA-N -1 3 317.348 3.437 20 30 DGEDHM N#CC(=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3)c1ccncn1 ZINC000354459460 229295474 /nfs/dbraw/zinc/29/54/74/229295474.db2.gz DEQRXHNKIARZCB-OAHLLOKOSA-N -1 3 316.364 3.327 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C(C)C)n(C)n3)nc21 ZINC000353098291 229270663 /nfs/dbraw/zinc/27/06/63/229270663.db2.gz PQQZPWGLWFKUHS-LBPRGKRZSA-N -1 3 321.384 3.218 20 30 DGEDHM Cc1ncoc1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000354094369 229289953 /nfs/dbraw/zinc/28/99/53/229289953.db2.gz XOVMIFFOIJDMBP-JTQLQIEISA-N -1 3 301.371 3.487 20 30 DGEDHM N#CC(=C([O-])c1cncnc1-c1ccccc1)c1ccccn1 ZINC000355093434 229304169 /nfs/dbraw/zinc/30/41/69/229304169.db2.gz DXAKUFWEFFIHPA-CQSZACIVSA-N -1 3 300.321 3.029 20 30 DGEDHM COc1ccc([O-])c(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416107473 277917297 /nfs/dbraw/zinc/91/72/97/277917297.db2.gz ORCMWNSESJTCOR-KRWDZBQOSA-N -1 3 322.364 3.080 20 30 DGEDHM Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)c([O-])c1 ZINC000110309358 431186431 /nfs/dbraw/zinc/18/64/31/431186431.db2.gz FFYGAVBIJIOJOI-UHFFFAOYSA-N -1 3 311.341 3.031 20 30 DGEDHM Cc1ccc([O-])c(C(=O)Nc2ncccc2OCCCC#N)c1 ZINC000110309392 431188076 /nfs/dbraw/zinc/18/80/76/431188076.db2.gz KMPGJRXKMQGMMP-UHFFFAOYSA-N -1 3 311.341 3.031 20 30 DGEDHM CCOc1ncc(C([O-])=C(C#N)c2ccccn2)cc1Cl ZINC000112483813 431280122 /nfs/dbraw/zinc/28/01/22/431280122.db2.gz XBCOSMUFDIQRED-LLVKDONJSA-N -1 3 301.733 3.019 20 30 DGEDHM N#Cc1ccc(F)c(CSc2n[n-]c(-c3ccccn3)n2)c1 ZINC000117112378 431546528 /nfs/dbraw/zinc/54/65/28/431546528.db2.gz IBWADKVIDJOZOI-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(C(F)(F)F)c1 ZINC000088477614 431857663 /nfs/dbraw/zinc/85/76/63/431857663.db2.gz QXHKZBFAOLRPND-JTQLQIEISA-N -1 3 306.309 3.058 20 30 DGEDHM CCCOc1ccc(/C=N/[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000123241895 431859243 /nfs/dbraw/zinc/85/92/43/431859243.db2.gz AHQNMTWYAYFISF-PLEQNWNZSA-N -1 3 303.402 3.413 20 30 DGEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000041521017 431859562 /nfs/dbraw/zinc/85/95/62/431859562.db2.gz DYOIEWRZUFUBKF-GFCCVEGCSA-N -1 3 316.382 3.349 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1C(C)C ZINC000092693692 431910475 /nfs/dbraw/zinc/91/04/75/431910475.db2.gz MMXOQKBYEWDELM-ZDUSSCGKSA-N -1 3 321.384 3.149 20 30 DGEDHM CCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000192465457 432378447 /nfs/dbraw/zinc/37/84/47/432378447.db2.gz IAQOURJNFARAJZ-LBPRGKRZSA-N -1 3 310.353 3.193 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccc(Br)c(C)c1F ZINC000193470000 432476388 /nfs/dbraw/zinc/47/63/88/432476388.db2.gz PMMVGTCISFXTMC-UHFFFAOYSA-N -1 3 322.199 3.214 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(C#N)cc2F)c(F)c1 ZINC000194684096 432568690 /nfs/dbraw/zinc/56/86/90/432568690.db2.gz XRVXTOZPEGBUHD-UHFFFAOYSA-N -1 3 322.336 3.087 20 30 DGEDHM C=CCCO[C@H](C)C(=O)[N-]c1onc(C(F)(F)F)c1CC ZINC000274721468 432700993 /nfs/dbraw/zinc/70/09/93/432700993.db2.gz UTHXJTJSBMODBD-MRVPVSSYSA-N -1 3 306.284 3.176 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)ccc1C#N ZINC000235896077 432746132 /nfs/dbraw/zinc/74/61/32/432746132.db2.gz PXEMEUZUFGKSQX-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C#CCN(CC)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000267286395 432829837 /nfs/dbraw/zinc/82/98/37/432829837.db2.gz JACDJEPGQMTKIT-UHFFFAOYSA-N -1 3 313.382 3.112 20 30 DGEDHM Cn1ncc2c1CC/C(=C/c1cc([O-])cc(C(F)(F)F)c1)C2=O ZINC000290600904 433114260 /nfs/dbraw/zinc/11/42/60/433114260.db2.gz YXPZJJQZVRDKKY-WMZJFQQLSA-N -1 3 322.286 3.357 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000280637763 433119677 /nfs/dbraw/zinc/11/96/77/433119677.db2.gz CZCWEYQLUWAJAS-SNVBAGLBSA-N -1 3 315.822 3.176 20 30 DGEDHM CO[C@@](C)(C/N=C/c1cc(Br)ccc1[O-])C1CC1 ZINC000290951200 433210708 /nfs/dbraw/zinc/21/07/08/433210708.db2.gz MAGYRVCZZQDDDG-BRSWLGOBSA-N -1 3 312.207 3.389 20 30 DGEDHM Cc1cc(C(=O)N[C@H](C#N)c2ccccc2Cl)ccc1[O-] ZINC000354743866 433251754 /nfs/dbraw/zinc/25/17/54/433251754.db2.gz 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/nfs/dbraw/zinc/60/79/41/433607941.db2.gz HNMVDRQWUSJLFU-UHFFFAOYSA-N -1 3 310.163 3.338 20 30 DGEDHM C=CCCC1(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])CC1 ZINC000356544886 433613003 /nfs/dbraw/zinc/61/30/03/433613003.db2.gz FGVHZPFFYVKOES-UHFFFAOYSA-N -1 3 303.358 3.254 20 30 DGEDHM N#Cc1cccc(-c2cc(C(=O)Nc3ccccc3[O-])on2)c1 ZINC000436423305 433965829 /nfs/dbraw/zinc/96/58/29/433965829.db2.gz RSEOWPJRBHICSS-UHFFFAOYSA-N -1 3 305.293 3.171 20 30 DGEDHM C[C@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450419831 434165551 /nfs/dbraw/zinc/16/55/51/434165551.db2.gz PHQYIOAEANQAGR-DJJJIMSYSA-N -1 3 306.365 3.471 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000295012864 434158784 /nfs/dbraw/zinc/15/87/84/434158784.db2.gz PRXANMHDOGFRII-UHFFFAOYSA-N -1 3 304.680 3.076 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(OCCC(C)C)c1 ZINC000416952862 434259599 /nfs/dbraw/zinc/25/95/99/434259599.db2.gz JXNQCFIQZZIKCD-HNNXBMFYSA-N -1 3 324.446 3.464 20 30 DGEDHM COCCCO[N-]C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000286844757 434292477 /nfs/dbraw/zinc/29/24/77/434292477.db2.gz APNFZEMNWFMOFF-LBPRGKRZSA-N -1 3 323.418 3.170 20 30 DGEDHM C=CC[C@@H]1N(C(=O)c2cc(F)cc3[n-]nnc32)CCCC1(C)C ZINC000328659396 434297038 /nfs/dbraw/zinc/29/70/38/434297038.db2.gz SQYDZHDDVMJZTL-AWEZNQCLSA-N -1 3 316.380 3.304 20 30 DGEDHM C=CC[C@@H]1N(C(=O)c2cc(F)cc3nn[n-]c32)CCCC1(C)C ZINC000328659396 434297044 /nfs/dbraw/zinc/29/70/44/434297044.db2.gz SQYDZHDDVMJZTL-AWEZNQCLSA-N -1 3 316.380 3.304 20 30 DGEDHM C=CC[C@@H]1N(C(=O)c2cc(F)cc3n[n-]nc32)CCCC1(C)C ZINC000328659396 434297046 /nfs/dbraw/zinc/29/70/46/434297046.db2.gz SQYDZHDDVMJZTL-AWEZNQCLSA-N -1 3 316.380 3.304 20 30 DGEDHM O=C(NCC1CCC(F)(F)CC1)c1cc(F)cc2nn[n-]c21 ZINC000328733222 434306035 /nfs/dbraw/zinc/30/60/35/434306035.db2.gz XXDNZLLVGQSULG-UHFFFAOYSA-N -1 3 312.295 3.227 20 30 DGEDHM O=C(NCC1CCC(F)(F)CC1)c1cc(F)cc2[n-]nnc21 ZINC000328733222 434306046 /nfs/dbraw/zinc/30/60/46/434306046.db2.gz XXDNZLLVGQSULG-UHFFFAOYSA-N -1 3 312.295 3.227 20 30 DGEDHM O=C(NCC1CCC(F)(F)CC1)c1cc(F)cc2n[n-]nc21 ZINC000328733222 434306056 /nfs/dbraw/zinc/30/60/56/434306056.db2.gz XXDNZLLVGQSULG-UHFFFAOYSA-N -1 3 312.295 3.227 20 30 DGEDHM CC(C)c1cc(C(=O)[N-]c2ccc3c(c2F)CCNC3=O)no1 ZINC000328922389 434330458 /nfs/dbraw/zinc/33/04/58/434330458.db2.gz UJMYIXBAVCWLRS-UHFFFAOYSA-N -1 3 317.320 3.434 20 30 DGEDHM CCc1c(C)sc([N-]C(=O)c2scnc2COC)c1C#N ZINC000340738806 434331398 /nfs/dbraw/zinc/33/13/98/434331398.db2.gz JKTXBVIHTBNWRD-UHFFFAOYSA-N -1 3 321.427 3.346 20 30 DGEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000437517836 434277504 /nfs/dbraw/zinc/27/75/04/434277504.db2.gz VSHLIRHPINZWDB-WMLDXEAASA-N -1 3 303.402 3.227 20 30 DGEDHM COc1cc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1C#N ZINC000417569935 434445696 /nfs/dbraw/zinc/44/56/96/434445696.db2.gz VWZXXMIFAIVMBJ-UGSOOPFHSA-N -1 3 324.380 3.118 20 30 DGEDHM Cc1cc(C)cc([C@H](NCc2ccc(C#N)c(C)c2)C(=O)[O-])c1 ZINC000417561426 434440354 /nfs/dbraw/zinc/44/03/54/434440354.db2.gz LEROQHRWKXNDDM-SFHVURJKSA-N -1 3 308.381 3.399 20 30 DGEDHM CCOc1ccc(F)c([N-]C(=O)c2cc(C#N)oc2C)c1F ZINC000439080335 434563569 /nfs/dbraw/zinc/56/35/69/434563569.db2.gz RPOQXQXQYCHWBO-UHFFFAOYSA-N -1 3 306.268 3.389 20 30 DGEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000439647160 434635332 /nfs/dbraw/zinc/63/53/32/434635332.db2.gz LLLHFCZAOXDMBJ-CYBMUJFWSA-N -1 3 322.393 3.342 20 30 DGEDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443022580 434775542 /nfs/dbraw/zinc/77/55/42/434775542.db2.gz WKUIGBNBWPQEOR-MFKMUULPSA-N -1 3 312.822 3.069 20 30 DGEDHM C=C(C)C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000491854836 434871580 /nfs/dbraw/zinc/87/15/80/434871580.db2.gz ULOGRZSOSVPJCH-UHFFFAOYSA-N -1 3 301.820 3.409 20 30 DGEDHM C[C@@H]1CCCN(c2cc(C([O-])=C(C#N)c3ccccn3)ccn2)C1 ZINC000577796714 435061676 /nfs/dbraw/zinc/06/16/76/435061676.db2.gz WSHDUOVRAHDGJP-ZBFHGGJFSA-N -1 3 320.396 3.203 20 30 DGEDHM N#CCCn1cc(/C=C/C(=O)[N-]OCCC2CC2)c2ccccc21 ZINC000492940228 435077998 /nfs/dbraw/zinc/07/79/98/435077998.db2.gz ILKGVJAZHDNAAQ-CMDGGOBGSA-N -1 3 323.396 3.416 20 30 DGEDHM N#CCCn1cc(/C=C\C(=O)[N-]OCC2CC2)c2ccccc21 ZINC000492941499 435078134 /nfs/dbraw/zinc/07/81/34/435078134.db2.gz QEXLHXTWBZYESQ-HJWRWDBZSA-N -1 3 309.369 3.026 20 30 DGEDHM CCc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000474651511 435156369 /nfs/dbraw/zinc/15/63/69/435156369.db2.gz XFBKIHSSSORUBW-FQEVSTJZSA-N -1 3 320.392 3.136 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc([C@H]3CCOC3)c2)nc(C)n1 ZINC000535650689 435340781 /nfs/dbraw/zinc/34/07/81/435340781.db2.gz LAYYEZULZCVOHO-DLBZAZTESA-N -1 3 321.380 3.087 20 30 DGEDHM C=C[C@](C)(CC)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000484876535 435556843 /nfs/dbraw/zinc/55/68/43/435556843.db2.gz QTLRYLGVALWCEY-MRXNPFEDSA-N -1 3 318.808 3.098 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(C4CC4)c3)nc1-2 ZINC000541187587 435641710 /nfs/dbraw/zinc/64/17/10/435641710.db2.gz CONGOAXOXIQXKA-CYBMUJFWSA-N -1 3 317.352 3.029 20 30 DGEDHM C=CCOc1ccccc1CN1CCC(CCC(=O)[O-])CC1 ZINC000665341703 435951035 /nfs/dbraw/zinc/95/10/35/435951035.db2.gz BDYGNXAOQPJGED-UHFFFAOYSA-N -1 3 303.402 3.328 20 30 DGEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1OC ZINC000657036499 436076522 /nfs/dbraw/zinc/07/65/22/436076522.db2.gz IRWHPQBMBTYLSN-VXGBXAGGSA-N -1 3 315.460 3.170 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2cnc3n2[C@H](C)CCC3)n1 ZINC000651259221 436155425 /nfs/dbraw/zinc/15/54/25/436155425.db2.gz JPXYNIQZCIHQPG-GHMZBOCLSA-N -1 3 300.387 3.035 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2cnc3n2[C@@H](C)CCC3)n1 ZINC000651259224 436155795 /nfs/dbraw/zinc/15/57/95/436155795.db2.gz JPXYNIQZCIHQPG-WDEREUQCSA-N -1 3 300.387 3.035 20 30 DGEDHM Cc1ccc([O-])c(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)n1 ZINC000329751817 301652773 /nfs/dbraw/zinc/65/27/73/301652773.db2.gz JECWGLCORDNYEE-SCLBCKFNSA-N -1 3 310.353 3.424 20 30 DGEDHM Cc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1Cl ZINC000174052434 312759863 /nfs/dbraw/zinc/75/98/63/312759863.db2.gz ZDPYHDWFSWFJOV-UHFFFAOYSA-N -1 3 306.774 3.321 20 30 DGEDHM N#Cc1ccc(SCc2cc(=O)[n-]c(C3CC3)n2)c(F)c1 ZINC000571051515 315693519 /nfs/dbraw/zinc/69/35/19/315693519.db2.gz BSIVJIVMPVXBGF-UHFFFAOYSA-N -1 3 301.346 3.363 20 30 DGEDHM Cc1cc(Cl)cc(NC(=O)c2ncc(C#N)cc2C)c1[O-] ZINC000577422584 316234741 /nfs/dbraw/zinc/23/47/41/316234741.db2.gz AMWHXRLDSNZCLH-UHFFFAOYSA-N -1 3 301.733 3.181 20 30 DGEDHM Cc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1 ZINC000179546750 331526923 /nfs/dbraw/zinc/52/69/23/331526923.db2.gz UITDUJKLUPUYCK-AWEZNQCLSA-N -1 3 300.745 3.349 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](COC)c1cccc(Cl)c1 ZINC000293558293 335108743 /nfs/dbraw/zinc/10/87/43/335108743.db2.gz CLHFCHKWUWWXBK-LBPRGKRZSA-N -1 3 303.736 3.355 20 30 DGEDHM CC#CCCCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000185178761 335119432 /nfs/dbraw/zinc/11/94/32/335119432.db2.gz UWMKTMCSCVZNHH-UHFFFAOYSA-N -1 3 323.396 3.131 20 30 DGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(OC)cc1[O-] ZINC000130201129 341006297 /nfs/dbraw/zinc/00/62/97/341006297.db2.gz XCAOVJNXYDYVJM-UHFFFAOYSA-N -1 3 322.364 3.101 20 30 DGEDHM CC(C)Cn1ncc(C([O-])=C(C#N)c2ccccn2)c1C(F)F ZINC000136535076 341261456 /nfs/dbraw/zinc/26/14/56/341261456.db2.gz AIVZNWOIXMYZKO-LLVKDONJSA-N -1 3 318.327 3.362 20 30 DGEDHM CC[C@@](C)(C#N)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548689699 341269468 /nfs/dbraw/zinc/26/94/68/341269468.db2.gz SYCNTTKRWZMIFO-IBGZPJMESA-N -1 3 322.364 3.045 20 30 DGEDHM C=CCC1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCCCC1 ZINC000576649048 341857124 /nfs/dbraw/zinc/85/71/24/341857124.db2.gz TYYGZVBCIIXFJU-UHFFFAOYSA-N -1 3 301.390 3.068 20 30 DGEDHM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000338629584 534491861 /nfs/dbraw/zinc/49/18/61/534491861.db2.gz ZPQKPQLLBLPHQL-OAHLLOKOSA-N -1 3 320.327 3.205 20 30 DGEDHM N#CC1(F)CCN(Cc2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000356310007 534566783 /nfs/dbraw/zinc/56/67/83/534566783.db2.gz WKXVIGQDCSTOBI-UHFFFAOYSA-N -1 3 302.271 3.239 20 30 DGEDHM O=C1N/C(=N\C2CCCC2)S/C1=C\c1cc([O-])cc(F)c1 ZINC000184752490 534781474 /nfs/dbraw/zinc/78/14/74/534781474.db2.gz XFNKTVHDNXUNAE-QPEQYQDCSA-N -1 3 306.362 3.034 20 30 DGEDHM CC(=O)c1cccc(NC(=O)C=Cc2ccc(C#N)cc2)c1[O-] ZINC000493815009 534889515 /nfs/dbraw/zinc/88/95/15/534889515.db2.gz FGZVOMCNJCVWQY-KTKRTIGZSA-N -1 3 306.321 3.118 20 30 DGEDHM C=CCOCC(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000359374617 526718886 /nfs/dbraw/zinc/71/88/86/526718886.db2.gz CCOXAVPQOAJZGR-UHFFFAOYSA-N -1 3 324.283 3.084 20 30 DGEDHM CC(=O)c1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1[O-] ZINC000331331105 527220958 /nfs/dbraw/zinc/22/09/58/527220958.db2.gz HLZYBQLXAAIVEL-UHFFFAOYSA-N -1 3 318.417 3.164 20 30 DGEDHM CCOc1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000357666646 528633372 /nfs/dbraw/zinc/63/33/72/528633372.db2.gz ZLLXXEWLGDCAIE-AWEZNQCLSA-N -1 3 320.352 3.155 20 30 DGEDHM CCN(c1ccc(C([O-])=C(C#N)c2ccccn2)cn1)C(C)C ZINC000358001454 528932474 /nfs/dbraw/zinc/93/24/74/528932474.db2.gz RMKMNADVCAFOOD-OAHLLOKOSA-N -1 3 308.385 3.201 20 30 DGEDHM CCOC(=O)N1CC[C@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000184533878 529010048 /nfs/dbraw/zinc/01/00/48/529010048.db2.gz RPMZAWLQIORVRM-YRIIZNAFSA-N -1 3 312.369 3.195 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000416946550 529271168 /nfs/dbraw/zinc/27/11/68/529271168.db2.gz FVVAQOPOWFZBQW-VIFPVBQESA-N -1 3 306.309 3.058 20 30 DGEDHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160828323 529335117 /nfs/dbraw/zinc/33/51/17/529335117.db2.gz KQJQMDZZKAZQID-GHMZBOCLSA-N -1 3 314.838 3.315 20 30 DGEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NNC2CCCC2)s1 ZINC000496459179 534918759 /nfs/dbraw/zinc/91/87/59/534918759.db2.gz HYZDNMXREJPQAB-UHFFFAOYSA-N -1 3 310.423 3.356 20 30 DGEDHM Cc1ccc(OCC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1C ZINC000073973568 545720659 /nfs/dbraw/zinc/72/06/59/545720659.db2.gz DEWCKUHOAKTKOD-UHFFFAOYSA-N -1 3 312.329 3.349 20 30 DGEDHM Cc1ccc(OCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1C ZINC000073973568 545720664 /nfs/dbraw/zinc/72/06/64/545720664.db2.gz DEWCKUHOAKTKOD-UHFFFAOYSA-N -1 3 312.329 3.349 20 30 DGEDHM Cc1ccc(OCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1C ZINC000073973568 545720667 /nfs/dbraw/zinc/72/06/67/545720667.db2.gz DEWCKUHOAKTKOD-UHFFFAOYSA-N -1 3 312.329 3.349 20 30 DGEDHM C=C(C[N-]S(=O)(=O)c1cccc(C)c1F)c1ccccc1 ZINC000672423778 547880343 /nfs/dbraw/zinc/88/03/43/547880343.db2.gz UPBMJSGFSKPXFR-UHFFFAOYSA-N -1 3 305.374 3.126 20 30 DGEDHM N#CC(=C([O-])c1cnn2c1CCCC2)c1ccc2ccccc2n1 ZINC000676771034 548412387 /nfs/dbraw/zinc/41/23/87/548412387.db2.gz KBWTWSMJEPHJHT-AWEZNQCLSA-N -1 3 316.364 3.258 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@H](O)c1c(F)cccc1Cl ZINC000741165017 574531213 /nfs/dbraw/zinc/53/12/13/574531213.db2.gz DGJZOSCEWKMDKN-VDIXJHOCSA-N -1 3 323.751 3.346 20 30 DGEDHM CCC(CC)NN=Cc1cc(Br)c([O-])c(OC)c1 ZINC000734364798 574657920 /nfs/dbraw/zinc/65/79/20/574657920.db2.gz GCBRVUWCANRGSE-UHFFFAOYSA-N -1 3 315.211 3.275 20 30 DGEDHM CCc1ccc2c(c1)C(=N[N-]c1c(F)cccc1F)C(=O)N2 ZINC000735615622 574709853 /nfs/dbraw/zinc/70/98/53/574709853.db2.gz VDHAVWKTTHLXFR-UHFFFAOYSA-N -1 3 301.296 3.296 20 30 DGEDHM CC(CSC(C)(C)C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736046096 574729447 /nfs/dbraw/zinc/72/94/47/574729447.db2.gz FZECIYJFKKAUPJ-UHFFFAOYSA-N -1 3 304.423 3.186 20 30 DGEDHM CC(CSC(C)(C)C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736046096 574729450 /nfs/dbraw/zinc/72/94/50/574729450.db2.gz FZECIYJFKKAUPJ-UHFFFAOYSA-N -1 3 304.423 3.186 20 30 DGEDHM C#CCOc1ccccc1CNCCc1ccc(NC(=O)[O-])cc1 ZINC000736088608 574731170 /nfs/dbraw/zinc/73/11/70/574731170.db2.gz WZZQMIOROKPTPC-UHFFFAOYSA-N -1 3 324.380 3.121 20 30 DGEDHM CC1(c2ccccc2)CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736222657 574735828 /nfs/dbraw/zinc/73/58/28/574735828.db2.gz JDNQEQKULGMAPR-UHFFFAOYSA-N -1 3 318.384 3.386 20 30 DGEDHM CC1(c2ccccc2)CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736222657 574735830 /nfs/dbraw/zinc/73/58/30/574735830.db2.gz JDNQEQKULGMAPR-UHFFFAOYSA-N -1 3 318.384 3.386 20 30 DGEDHM Cc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000737391557 574841528 /nfs/dbraw/zinc/84/15/28/574841528.db2.gz FBJAPMIMYKEUEL-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000737391557 574841529 /nfs/dbraw/zinc/84/15/29/574841529.db2.gz FBJAPMIMYKEUEL-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM O=C1c2cccc(Cl)c2OC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738288666 574864688 /nfs/dbraw/zinc/86/46/88/574864688.db2.gz DKOKRXWZGPDTIV-JYRVWZFOSA-N -1 3 324.727 3.136 20 30 DGEDHM O=C1c2cccc(Cl)c2OC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738288666 574864689 /nfs/dbraw/zinc/86/46/89/574864689.db2.gz DKOKRXWZGPDTIV-JYRVWZFOSA-N -1 3 324.727 3.136 20 30 DGEDHM Cc1cccc2c1CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC000738746977 574880929 /nfs/dbraw/zinc/88/09/29/574880929.db2.gz BAIDQOSLGMOJIA-SFHVURJKSA-N -1 3 306.365 3.051 20 30 DGEDHM N#Cc1ccc([C@H](NCc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000739106532 574892268 /nfs/dbraw/zinc/89/22/68/574892268.db2.gz NHHSCCRUOCRZJK-HNNXBMFYSA-N -1 3 300.745 3.127 20 30 DGEDHM N#Cc1ccc([C@@H](N[C@@H]2CCc3ccc(F)cc32)C(=O)[O-])cc1 ZINC000739108807 574892512 /nfs/dbraw/zinc/89/25/12/574892512.db2.gz XEONJYVZWPQVOM-IAGOWNOFSA-N -1 3 310.328 3.100 20 30 DGEDHM COc1cccc([O-])c1C=Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000739426516 574902987 /nfs/dbraw/zinc/90/29/87/574902987.db2.gz MUROWVHBEWEZHP-HNNXBMFYSA-N -1 3 313.353 3.319 20 30 DGEDHM COc1ccc2c(c1)OCC[C@@H]2/N=C/c1c([O-])cccc1OC ZINC000741755340 574968816 /nfs/dbraw/zinc/96/88/16/574968816.db2.gz CZDRNYHTLQVSHU-BKQORJHRSA-N -1 3 313.353 3.352 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/CCN1Cc2ccccc2C1 ZINC000743537945 575056129 /nfs/dbraw/zinc/05/61/29/575056129.db2.gz DWZFTTPGBLZAMR-VXLYETTFSA-N -1 3 300.789 3.480 20 30 DGEDHM CC(=O)Nc1ccc([O-])c(C(C)=NNc2cccc(F)c2F)c1 ZINC000743443406 575052041 /nfs/dbraw/zinc/05/20/41/575052041.db2.gz FRPQVDMAIPODRW-UHFFFAOYSA-N -1 3 319.311 3.465 20 30 DGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc2ccsc2c1 ZINC000744028407 575069166 /nfs/dbraw/zinc/06/91/66/575069166.db2.gz HZIUJEDMWOWGDH-CYBMUJFWSA-N -1 3 321.361 3.257 20 30 DGEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744028899 575069239 /nfs/dbraw/zinc/06/92/39/575069239.db2.gz OCNIOERFRNNCCP-BLIJAFNYSA-N -1 3 310.397 3.425 20 30 DGEDHM N#Cc1cc(F)ccc1CO[N-]C(=O)c1c(F)cccc1Cl ZINC000728911707 575193568 /nfs/dbraw/zinc/19/35/68/575193568.db2.gz FQWXGYJTGGGLNQ-UHFFFAOYSA-N -1 3 322.698 3.351 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C2CC(C)(c3ccccc3)C2)c1[O-] ZINC000729937611 575267357 /nfs/dbraw/zinc/26/73/57/575267357.db2.gz XHMMZSZZUWZISM-SRZZPIQSSA-N -1 3 310.397 3.127 20 30 DGEDHM N#C[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000729987118 575269220 /nfs/dbraw/zinc/26/92/20/575269220.db2.gz SKQRKGIPXYPVGQ-CYBMUJFWSA-N -1 3 308.337 3.016 20 30 DGEDHM Cc1ccc(F)c(NC(=S)NN=Cc2ccccc2[O-])c1 ZINC000745005982 575369149 /nfs/dbraw/zinc/36/91/49/575369149.db2.gz NPFVQYPJYCGETQ-UHFFFAOYSA-N -1 3 303.362 3.160 20 30 DGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000746370328 575449065 /nfs/dbraw/zinc/44/90/65/575449065.db2.gz LLUBXXWWPLFYGL-AWEZNQCLSA-N -1 3 316.426 3.286 20 30 DGEDHM Cc1ccc(N=Cc2cccc([O-])c2O)cc1N1CCOC1=O ZINC000746393353 575450276 /nfs/dbraw/zinc/45/02/76/575450276.db2.gz KASMXOPQUBULQF-UHFFFAOYSA-N -1 3 312.325 3.113 20 30 DGEDHM COc1cccc([O-])c1/C=N\Cc1ccc2c(c1)CCCN2C ZINC000746683809 575470224 /nfs/dbraw/zinc/47/02/24/575470224.db2.gz PPZSIZILAKXIFQ-MOSHPQCFSA-N -1 3 310.397 3.402 20 30 DGEDHM COc1cccc([O-])c1/C=N\Cc1ncc(C)c(OC)c1C ZINC000747614484 575527380 /nfs/dbraw/zinc/52/73/80/575527380.db2.gz KVTPXJPNFHWDEF-NVMNQCDNSA-N -1 3 300.358 3.040 20 30 DGEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1ncccn1 ZINC000748794964 575607254 /nfs/dbraw/zinc/60/72/54/575607254.db2.gz NJYNEKZRUWSIGF-UHFFFAOYSA-N -1 3 306.350 3.329 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCCSC1 ZINC000749007149 575620690 /nfs/dbraw/zinc/62/06/90/575620690.db2.gz BWVMSYMZMKFBRI-LLUUXILJSA-N -1 3 300.221 3.469 20 30 DGEDHM CC1N=NC(=S)N1N=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000749443317 575656360 /nfs/dbraw/zinc/65/63/60/575656360.db2.gz LCKJGPHDHUIICG-UHFFFAOYSA-N -1 3 310.382 3.130 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2ccccc2F)c1[O-] ZINC000749748354 575674952 /nfs/dbraw/zinc/67/49/52/575674952.db2.gz CDFYQZJMTYMUSK-UKWGHVSLSA-N -1 3 316.376 3.124 20 30 DGEDHM CCc1cccc2c1OCC[C@@H]2/N=C\c1ccc(O)c([O-])c1O ZINC000750950455 575764176 /nfs/dbraw/zinc/76/41/76/575764176.db2.gz VSBZWLPJNRNFTD-VAODSVERSA-N -1 3 313.353 3.309 20 30 DGEDHM C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccccc1C(=O)[O-] ZINC000751520205 575788471 /nfs/dbraw/zinc/78/84/71/575788471.db2.gz FBZPHIBEPJFKOH-AWEZNQCLSA-N -1 3 323.396 3.305 20 30 DGEDHM CCOC(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])o1 ZINC000751890568 575809764 /nfs/dbraw/zinc/80/97/64/575809764.db2.gz OREJOURJSXZIEA-CAOOACKPSA-N -1 3 307.733 3.434 20 30 DGEDHM COc1cccc([O-])c1C=NNc1ccc([N+](=O)[O-])cc1Cl ZINC000727649427 576136275 /nfs/dbraw/zinc/13/62/75/576136275.db2.gz HPTXKDYTNBNCNT-UHFFFAOYSA-N -1 3 321.720 3.408 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2ccccc2-n2cncn2)ccc1[O-] ZINC000728231721 576170833 /nfs/dbraw/zinc/17/08/33/576170833.db2.gz NYXVHSRNHXZUKZ-TWGQIWQCSA-N -1 3 305.337 3.177 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)ccc1[O-] ZINC000728231148 576170894 /nfs/dbraw/zinc/17/08/94/576170894.db2.gz INXYQEROIQORFK-WEVVVXLNSA-N -1 3 316.378 3.000 20 30 DGEDHM Cc1cc(C)c(CC/N=C/c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000917556642 620675715 /nfs/dbraw/zinc/67/57/15/620675715.db2.gz GVPAKPTVRDHSFO-KEBDBYFISA-N -1 3 312.413 3.175 20 30 DGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(C)sc1C ZINC000920384292 620798647 /nfs/dbraw/zinc/79/86/47/620798647.db2.gz YIMYBQJLODRFND-UHFFFAOYSA-N -1 3 322.455 3.209 20 30 DGEDHM N#Cc1ccc(CNCc2cc(Cl)cc(F)c2[O-])c(F)c1 ZINC000776174578 618521900 /nfs/dbraw/zinc/52/19/00/618521900.db2.gz OJDZGAJRSGAKSX-UHFFFAOYSA-N -1 3 308.715 3.485 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(C(C)(F)F)cc2)c1[O-] ZINC000840706681 618975452 /nfs/dbraw/zinc/97/54/52/618975452.db2.gz NOPMGIRCTMPIIE-AWQFTUOYSA-N -1 3 320.339 3.319 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CC12CCOCC2 ZINC000840708377 618982056 /nfs/dbraw/zinc/98/20/56/618982056.db2.gz FWIXZSRYJCPXSC-LWLPBDFMSA-N -1 3 310.191 3.143 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(Cl)cc2)c1[O-] ZINC000840710473 619000385 /nfs/dbraw/zinc/00/03/85/619000385.db2.gz KAFWBQSKYFWDJA-AFWYBORESA-N -1 3 304.777 3.421 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1nc2c(s1)COCC2 ZINC000899227579 619320038 /nfs/dbraw/zinc/32/00/38/619320038.db2.gz NVQGSVKRNYHVLC-SOFYXZRVSA-N -1 3 308.790 3.194 20 30 DGEDHM COc1ccc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1C ZINC000899230503 619320218 /nfs/dbraw/zinc/32/02/18/619320218.db2.gz IXDZQSDFCNLLCX-XGCXUPMPSA-N -1 3 314.385 3.085 20 30 DGEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(C)c1Br ZINC000900037802 619394489 /nfs/dbraw/zinc/39/44/89/619394489.db2.gz LVUJIRICUSWXQK-GFCCVEGCSA-N -1 3 312.207 3.267 20 30 DGEDHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1csc(C#N)c1 ZINC000900043608 619396253 /nfs/dbraw/zinc/39/62/53/619396253.db2.gz WICPUBYKXQPYIT-INIZCTEOSA-N -1 3 314.410 3.488 20 30 DGEDHM Cc1csc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)n1 ZINC000900536769 619436444 /nfs/dbraw/zinc/43/64/44/619436444.db2.gz CAUKTTYADQQBJO-SNVBAGLBSA-N -1 3 321.352 3.292 20 30 DGEDHM O=C(N([O-])Cc1ccccc1Cl)[C@@]12CCO[C@@H]1CCCC2 ZINC000900678073 619445036 /nfs/dbraw/zinc/44/50/36/619445036.db2.gz GGMCGRWYPSIKHB-ZBFHGGJFSA-N -1 3 309.793 3.407 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H]1CC(=O)Nc2ccccc21 ZINC000900677718 619445095 /nfs/dbraw/zinc/44/50/95/619445095.db2.gz CODISPZEEWXLDU-ZDUSSCGKSA-N -1 3 304.390 3.301 20 30 DGEDHM Cc1ccc([N+](=O)[O-])c(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC000901372009 619490642 /nfs/dbraw/zinc/49/06/42/619490642.db2.gz MPESWYDAPLJFBF-UHFFFAOYSA-N -1 3 318.304 3.382 20 30 DGEDHM CCOc1ncc(C(=O)N([O-])Cc2ccc(F)cc2)cc1Cl ZINC000901371664 619490785 /nfs/dbraw/zinc/49/07/85/619490785.db2.gz GWPZSLKUBPPDKW-UHFFFAOYSA-N -1 3 324.739 3.304 20 30 DGEDHM O=C(c1csc([C@@H]2CCCO2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901372999 619491505 /nfs/dbraw/zinc/49/15/05/619491505.db2.gz QYKAVWKQRWOKOS-ZDUSSCGKSA-N -1 3 322.361 3.165 20 30 DGEDHM O=C(c1cnn(-c2ccccc2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901376242 619491917 /nfs/dbraw/zinc/49/19/17/619491917.db2.gz QUPRGZGAJKQMDB-UHFFFAOYSA-N -1 3 311.316 3.043 20 30 DGEDHM C=CCCCN(CC)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000902669654 619662925 /nfs/dbraw/zinc/66/29/25/619662925.db2.gz PAYHJCQLWVDPNL-UHFFFAOYSA-N -1 3 303.435 3.248 20 30 DGEDHM C[C@@H](NCC1(C#N)CC1)c1cc(Br)c(F)cc1[O-] ZINC000903106012 619717454 /nfs/dbraw/zinc/71/74/54/619717454.db2.gz KVDLTEXLDYAKSH-MRVPVSSYSA-N -1 3 313.170 3.248 20 30 DGEDHM N#Cc1cc(Cl)cc(CN2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000903409627 619772038 /nfs/dbraw/zinc/77/20/38/619772038.db2.gz ZZIJQSBRLNBPLS-HNNXBMFYSA-N -1 3 306.793 3.431 20 30 DGEDHM C#CCCc1noc(-c2c[n-]c(=NC(=O)OC(C)(C)C)s2)n1 ZINC000903649954 619794193 /nfs/dbraw/zinc/79/41/93/619794193.db2.gz HQIAWQCQELSKTA-UHFFFAOYSA-N -1 3 320.374 3.106 20 30 DGEDHM C#CCCOc1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000903992046 619853273 /nfs/dbraw/zinc/85/32/73/619853273.db2.gz YJDNCXDWUREUNS-UHFFFAOYSA-N -1 3 323.392 3.006 20 30 DGEDHM CC#CC[C@H](NCc1cc(Cl)ccc1OCC1CC1)C(=O)[O-] ZINC000904057388 619867255 /nfs/dbraw/zinc/86/72/55/619867255.db2.gz PJZJGDLYKUJMEA-HNNXBMFYSA-N -1 3 321.804 3.085 20 30 DGEDHM C[C@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000904179953 619888600 /nfs/dbraw/zinc/88/86/00/619888600.db2.gz FDKJYZHKBJSJTC-ZDUSSCGKSA-N -1 3 304.173 3.138 20 30 DGEDHM CCCn1ncc(C(=O)N([O-])Cc2ccc(F)cc2)c1C1CC1 ZINC000904174117 619891871 /nfs/dbraw/zinc/89/18/71/619891871.db2.gz SXQINOYKFIFGEA-UHFFFAOYSA-N -1 3 317.364 3.341 20 30 DGEDHM Cc1csc(CCC(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000904190146 619895159 /nfs/dbraw/zinc/89/51/59/619895159.db2.gz IHGGWDDXIIVEJF-UHFFFAOYSA-N -1 3 310.806 3.456 20 30 DGEDHM CC[C@@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CCO1 ZINC000904197594 619896683 /nfs/dbraw/zinc/89/66/83/619896683.db2.gz IGUYQTTXYZIDFI-IAGOWNOFSA-N -1 3 305.418 3.432 20 30 DGEDHM Cc1nc(CC(=O)N([O-])CCCCc2ccccc2)cs1 ZINC000904201937 619897814 /nfs/dbraw/zinc/89/78/14/619897814.db2.gz MYEFYSXHFJUYDT-UHFFFAOYSA-N -1 3 304.415 3.235 20 30 DGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc(Cl)c(Cl)c1 ZINC000915933847 620608842 /nfs/dbraw/zinc/60/88/42/620608842.db2.gz LCBFJEINGIOIJC-UHFFFAOYSA-N -1 3 322.151 3.467 20 30 DGEDHM O=C1NCCN1c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000915979433 620610621 /nfs/dbraw/zinc/61/06/21/620610621.db2.gz PISXJXVMUNWOAD-UHFFFAOYSA-N -1 3 315.760 3.326 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)Cc2ccccc2Cl)c1[O-] ZINC000915980023 620610870 /nfs/dbraw/zinc/61/08/70/620610870.db2.gz WRESAKVOVBFHSO-YXZFXQPTSA-N -1 3 318.804 3.291 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccccc1F)c1nnc2n1CCCCC2 ZINC000920967406 620830578 /nfs/dbraw/zinc/83/05/78/620830578.db2.gz APYDBQSFXBIDMJ-CFYYFVFUSA-N -1 3 324.359 3.033 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000888434314 621012431 /nfs/dbraw/zinc/01/24/31/621012431.db2.gz PGDIEZSFICZHNS-UHFFFAOYSA-N -1 3 311.385 3.286 20 30 DGEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2c(C)cccc2[O-])c1 ZINC000859389093 621274230 /nfs/dbraw/zinc/27/42/30/621274230.db2.gz BVHUKDKTEYLDCY-OAHLLOKOSA-N -1 3 324.380 3.312 20 30 DGEDHM CCCCC1N=NC(=S)N1N=Cc1c([O-])cccc1Cl ZINC000755511679 621577210 /nfs/dbraw/zinc/57/72/10/621577210.db2.gz ZPZUNJINIPPYEL-UHFFFAOYSA-N -1 3 310.810 3.151 20 30 DGEDHM [O-]c1cccc(Cl)c1CN=Nc1c(F)c(F)nc(F)c1F ZINC000755541964 621578035 /nfs/dbraw/zinc/57/80/35/621578035.db2.gz BTDJYSSMZWIDFA-UHFFFAOYSA-N -1 3 319.645 3.443 20 30 DGEDHM [O-]c1cccc(Cl)c1CN=Nc1ncnc2sccc21 ZINC000755588773 621579292 /nfs/dbraw/zinc/57/92/92/621579292.db2.gz HXIPUIGAPWCPKB-UHFFFAOYSA-N -1 3 304.762 3.496 20 30 DGEDHM CC(=NNc1nc2ccccc2[n-]c1=S)c1cc2n(n1)CCC2 ZINC000863124841 621641025 /nfs/dbraw/zinc/64/10/25/621641025.db2.gz FPMWRAKETVKYGI-UHFFFAOYSA-N -1 3 324.413 3.271 20 30 DGEDHM O=c1[nH]c(NN=Cc2cc(Cl)ccc2[O-])nc2ccccc12 ZINC000757591716 621727089 /nfs/dbraw/zinc/72/70/89/621727089.db2.gz XLUWYTLNVAIZHR-UHFFFAOYSA-N -1 3 314.732 3.140 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC2(C(F)(F)F)CCCC2)c1[O-] ZINC000864346459 621758923 /nfs/dbraw/zinc/75/89/23/621758923.db2.gz WZCJSWOIZVRCGH-FBCYGCLPSA-N -1 3 316.323 3.130 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCCn2nccc21 ZINC000864348215 621759398 /nfs/dbraw/zinc/75/93/98/621759398.db2.gz HFJDGFQVCIUWPI-GFQQVXNGSA-N -1 3 320.190 3.305 20 30 DGEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1OC ZINC000864349492 621759905 /nfs/dbraw/zinc/75/99/05/621759905.db2.gz ZKAQRJMLRMVCRK-UWSDUSPXSA-N -1 3 314.385 3.167 20 30 DGEDHM N#C[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)c1ccc(F)cc1 ZINC000864686393 621800640 /nfs/dbraw/zinc/80/06/40/621800640.db2.gz ZVHZZFGIQYBTNE-VIFPVBQESA-N -1 3 310.197 3.094 20 30 DGEDHM CCO[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@]12CCCO2 ZINC000758813609 621802498 /nfs/dbraw/zinc/80/24/98/621802498.db2.gz AHZSIOKPQWRJCN-QCECDVIYSA-N -1 3 309.793 3.191 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=CSCc2ccco2)nc(C)n1 ZINC000759821003 621893514 /nfs/dbraw/zinc/89/35/14/621893514.db2.gz GCAWEASSDBGUMY-HZRUHFOJSA-N -1 3 313.382 3.310 20 30 DGEDHM C=CCCCCCCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000805218716 621980616 /nfs/dbraw/zinc/98/06/16/621980616.db2.gz KXJNPWZREMAIBW-UHFFFAOYSA-N -1 3 304.390 3.217 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc3c(c2)ncn3C)ccc1[O-] ZINC000761199174 621993919 /nfs/dbraw/zinc/99/39/19/621993919.db2.gz DNZXUSJLBWSPOH-DAXSKMNVSA-N -1 3 308.337 3.184 20 30 DGEDHM C[C@@H](NCc1ccn(C2CCCC2)n1)c1cccc(C#N)c1[O-] ZINC000866308040 622090149 /nfs/dbraw/zinc/09/01/49/622090149.db2.gz OYYPQJCUKUPRLK-CYBMUJFWSA-N -1 3 310.401 3.426 20 30 DGEDHM CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cccc(C#N)c2[O-])[nH]1 ZINC000866347445 622099653 /nfs/dbraw/zinc/09/96/53/622099653.db2.gz UQCBBYNTMYWPQW-QJPTWQEYSA-N -1 3 313.405 3.307 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cnn(CC(F)(F)F)c1 ZINC000763097065 622122910 /nfs/dbraw/zinc/12/29/10/622122910.db2.gz OILITNMVYOSUDG-NGYBGAFCSA-N -1 3 317.698 3.424 20 30 DGEDHM CCCCCCCCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000765204050 622252053 /nfs/dbraw/zinc/25/20/53/622252053.db2.gz PDEVZPWWBSDWDW-UHFFFAOYSA-N -1 3 309.406 3.500 20 30 DGEDHM O=C([N-]CC#Cc1ccccc1)C(F)(F)c1ccccc1F ZINC000765573711 622274601 /nfs/dbraw/zinc/27/46/01/622274601.db2.gz PIFQLTRSAQSZBA-UHFFFAOYSA-N -1 3 303.283 3.085 20 30 DGEDHM C=CCCO[N-]C(=O)/C(C)=C/c1ccc(Br)o1 ZINC000869283015 622338153 /nfs/dbraw/zinc/33/81/53/622338153.db2.gz XMUQWBCJUHRJRH-CMDGGOBGSA-N -1 3 300.152 3.069 20 30 DGEDHM Cc1cc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)ns1 ZINC000766832038 622355588 /nfs/dbraw/zinc/35/55/88/622355588.db2.gz ZQMFPZAPQPGNHJ-UHFFFAOYSA-N -1 3 322.733 3.137 20 30 DGEDHM C=CCNc1ncc(C(=O)[N-]c2nc(C(C)(C)C)ns2)s1 ZINC000771015609 622704171 /nfs/dbraw/zinc/70/41/71/622704171.db2.gz MZCMRLQXRXOKKQ-UHFFFAOYSA-N -1 3 323.447 3.142 20 30 DGEDHM C#C[C@H]1CC[C@H](NC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000874859761 623377007 /nfs/dbraw/zinc/37/70/07/623377007.db2.gz CRWONASYTJHYBJ-MJHDQNEOSA-N -1 3 322.202 3.077 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2coc(-c3ccccc3)n2)c1 ZINC000776275317 623405129 /nfs/dbraw/zinc/40/51/29/623405129.db2.gz RNMUUKJMWLVKCI-UHFFFAOYSA-N -1 3 320.304 3.276 20 30 DGEDHM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776275394 623405402 /nfs/dbraw/zinc/40/54/02/623405402.db2.gz RSHCUJKKKYHIAW-GFCCVEGCSA-N -1 3 323.348 3.254 20 30 DGEDHM CO[C@H]1CCOc2c(N=Cc3ccc(O)c([O-])c3O)cccc21 ZINC000790597420 625674674 /nfs/dbraw/zinc/67/46/74/625674674.db2.gz CDWDAXNSJJOBCU-AWEZNQCLSA-N -1 3 315.325 3.024 20 30 DGEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])[C@@H]1CCCOC1 ZINC000779707377 623788302 /nfs/dbraw/zinc/78/83/02/623788302.db2.gz MUSNZOYIECKOHJ-LQCIKDSQSA-N -1 3 312.207 3.389 20 30 DGEDHM COC(=O)c1cccc(NN=C(C)c2ccc([O-])c(F)c2)c1 ZINC000779826786 623816496 /nfs/dbraw/zinc/81/64/96/623816496.db2.gz DGDUCBJIWYGAIO-UHFFFAOYSA-N -1 3 302.305 3.154 20 30 DGEDHM CCc1cccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1[O-] ZINC000781034658 624012189 /nfs/dbraw/zinc/01/21/89/624012189.db2.gz MSGKUQGORZFSJI-LBPRGKRZSA-N -1 3 310.353 3.498 20 30 DGEDHM N#Cc1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1C1CC1 ZINC000882309806 625694949 /nfs/dbraw/zinc/69/49/49/625694949.db2.gz OLGUXMRITKVRSE-UHFFFAOYSA-N -1 3 320.352 3.061 20 30 DGEDHM Cc1cc(Br)c([O-])c(CN=Nc2cc(C)ncn2)c1 ZINC000781594425 624100372 /nfs/dbraw/zinc/10/03/72/624100372.db2.gz LUBCTVWKYQEVQN-UHFFFAOYSA-N -1 3 321.178 3.008 20 30 DGEDHM Cc1cc(Br)c([O-])c(C=NNc2cc(C)ncn2)c1 ZINC000781594425 624100374 /nfs/dbraw/zinc/10/03/74/624100374.db2.gz LUBCTVWKYQEVQN-UHFFFAOYSA-N -1 3 321.178 3.008 20 30 DGEDHM C=C(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)c(F)c1 ZINC000790937391 625718720 /nfs/dbraw/zinc/71/87/20/625718720.db2.gz MEAYTYHSIUNQJR-HNNXBMFYSA-N -1 3 319.307 3.423 20 30 DGEDHM CCOc1cc(C=CC(=O)c2cc[nH]c(=O)c2)cc(Cl)c1[O-] ZINC000791434254 625801041 /nfs/dbraw/zinc/80/10/41/625801041.db2.gz WSHNUVQNWALZRL-ONEGZZNKSA-N -1 3 319.744 3.441 20 30 DGEDHM N#CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000130610024 625879884 /nfs/dbraw/zinc/87/98/84/625879884.db2.gz WDQMRUOCUNCEMZ-MRXNPFEDSA-N -1 3 311.341 3.435 20 30 DGEDHM C#CCN(Cc1ccccc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000796639354 626069171 /nfs/dbraw/zinc/06/91/71/626069171.db2.gz AWGCUBCYCBPJKA-UHFFFAOYSA-N -1 3 311.356 3.369 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3occ4c3CCOC4)nc21 ZINC000797047182 626107855 /nfs/dbraw/zinc/10/78/55/626107855.db2.gz ZRGFIGDBNKUYCP-CYBMUJFWSA-N -1 3 321.336 3.027 20 30 DGEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000797548782 626152041 /nfs/dbraw/zinc/15/20/41/626152041.db2.gz OQKJUFWHUSFLSI-HNNXBMFYSA-N -1 3 310.353 3.366 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2c2cccc(Cl)c2)c1[O-] ZINC000797784201 626168305 /nfs/dbraw/zinc/16/83/05/626168305.db2.gz VKYKMXDREQCUMO-OLGKDWKGSA-N -1 3 316.788 3.216 20 30 DGEDHM Cc1nsc([N-]C(=O)c2nc(Cl)ccc2Cl)c1C#N ZINC000798240081 626204766 /nfs/dbraw/zinc/20/47/66/626204766.db2.gz BHCTXYKAZMNDOL-UHFFFAOYSA-N -1 3 313.169 3.277 20 30 DGEDHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OCC#N ZINC000806563852 626721651 /nfs/dbraw/zinc/72/16/51/626721651.db2.gz BGNRDEBTXKWKQK-QHHAFSJGSA-N -1 3 323.352 3.141 20 30 DGEDHM CC(C)(C#N)c1ccccc1COC(=O)c1cccc2nn[n-]c21 ZINC000800209593 626826256 /nfs/dbraw/zinc/82/62/56/626826256.db2.gz XLCBLIQVCDMVJL-UHFFFAOYSA-N -1 3 320.352 3.116 20 30 DGEDHM CC(C)(C#N)c1ccccc1COC(=O)c1cccc2[n-]nnc21 ZINC000800209593 626826259 /nfs/dbraw/zinc/82/62/59/626826259.db2.gz XLCBLIQVCDMVJL-UHFFFAOYSA-N -1 3 320.352 3.116 20 30 DGEDHM CC(C)(C#N)c1ccccc1COC(=O)c1cccc2n[n-]nc21 ZINC000800209593 626826261 /nfs/dbraw/zinc/82/62/61/626826261.db2.gz XLCBLIQVCDMVJL-UHFFFAOYSA-N -1 3 320.352 3.116 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CC[C@@H](C#N)CC3)n[n-]2)o1 ZINC000809088243 626880817 /nfs/dbraw/zinc/88/08/17/626880817.db2.gz WQWMINCUWHYUQE-BETUJISGSA-N -1 3 313.357 3.465 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OC[C@H]3CC[C@@H](C#N)CC3)[n-]n2)o1 ZINC000809088243 626880820 /nfs/dbraw/zinc/88/08/20/626880820.db2.gz WQWMINCUWHYUQE-BETUJISGSA-N -1 3 313.357 3.465 20 30 DGEDHM N#CC1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CCOCC1 ZINC000810659767 627032932 /nfs/dbraw/zinc/03/29/32/627032932.db2.gz BYHLSNNRGZPEHC-UHFFFAOYSA-N -1 3 324.789 3.360 20 30 DGEDHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000219499548 627148819 /nfs/dbraw/zinc/14/88/19/627148819.db2.gz ZZLKPNANPUFMFK-UHFFFAOYSA-N -1 3 321.789 3.024 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ncc(Cl)cc2Cl)c1 ZINC000811184201 627254456 /nfs/dbraw/zinc/25/44/56/627254456.db2.gz IPLLYXKEHORTGY-UHFFFAOYSA-N -1 3 323.135 3.323 20 30 DGEDHM CC(=NN[C@@H](C)COc1ccccc1)c1cc(F)ccc1[O-] ZINC000811666170 627303783 /nfs/dbraw/zinc/30/37/83/627303783.db2.gz ZKHIDDRZMICFCI-LBPRGKRZSA-N -1 3 302.349 3.312 20 30 DGEDHM CCOc1ccc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000812415027 627382412 /nfs/dbraw/zinc/38/24/12/627382412.db2.gz WUSMOTRKHFYICF-SVKBEJCWSA-N -1 3 314.385 3.167 20 30 DGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C(F)=CC1CCCCC1 ZINC000815915303 627712694 /nfs/dbraw/zinc/71/26/94/627712694.db2.gz KKODFHFUZAFCKS-JFBXQDQPSA-N -1 3 315.348 3.163 20 30 DGEDHM CC[C@@H](N[C@H](CCO)c1ccco1)c1cccc(C#N)c1[O-] ZINC000926195895 627859219 /nfs/dbraw/zinc/85/92/19/627859219.db2.gz GOEHDMGTFOSTFE-HUUCEWRRSA-N -1 3 300.358 3.021 20 30 DGEDHM C=CC1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CC1 ZINC000819729752 628184300 /nfs/dbraw/zinc/18/43/00/628184300.db2.gz MEKGZTJOFAFURA-UHFFFAOYSA-N -1 3 320.400 3.126 20 30 DGEDHM C=CC1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)CC1 ZINC000819729752 628184304 /nfs/dbraw/zinc/18/43/04/628184304.db2.gz MEKGZTJOFAFURA-UHFFFAOYSA-N -1 3 320.400 3.126 20 30 DGEDHM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(OCC#N)cc1 ZINC000820147846 628229407 /nfs/dbraw/zinc/22/94/07/628229407.db2.gz IMAXNSWCPGFDBF-ZDUSSCGKSA-N -1 3 310.353 3.138 20 30 DGEDHM C[C@H]1C(N=Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1c1ccccc1 ZINC000820641078 628281145 /nfs/dbraw/zinc/28/11/45/628281145.db2.gz ABYQFTWKGCFUCD-MLGOLLRUSA-N -1 3 318.384 3.458 20 30 DGEDHM C[C@H]1C(N=Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1c1ccccc1 ZINC000820641078 628281147 /nfs/dbraw/zinc/28/11/47/628281147.db2.gz ABYQFTWKGCFUCD-MLGOLLRUSA-N -1 3 318.384 3.458 20 30 DGEDHM C[C@@H]1C(N=Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1c1ccccc1 ZINC000820641050 628281155 /nfs/dbraw/zinc/28/11/55/628281155.db2.gz ABYQFTWKGCFUCD-BLLLJJGKSA-N -1 3 318.384 3.458 20 30 DGEDHM C[C@@H]1C(N=Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1c1ccccc1 ZINC000820641050 628281158 /nfs/dbraw/zinc/28/11/58/628281158.db2.gz ABYQFTWKGCFUCD-BLLLJJGKSA-N -1 3 318.384 3.458 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822196527 628428892 /nfs/dbraw/zinc/42/88/92/628428892.db2.gz MNAPTEOAFQDVDT-ARJAWSKDSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822196527 628428895 /nfs/dbraw/zinc/42/88/95/628428895.db2.gz MNAPTEOAFQDVDT-ARJAWSKDSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822378537 628445781 /nfs/dbraw/zinc/44/57/81/628445781.db2.gz BFNUNXILHZIYJT-DUXPYHPUSA-N -1 3 302.384 3.194 20 30 DGEDHM Clc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822578340 628466653 /nfs/dbraw/zinc/46/66/53/628466653.db2.gz HKEQYXKEJOIZIK-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822578340 628466656 /nfs/dbraw/zinc/46/66/56/628466656.db2.gz HKEQYXKEJOIZIK-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1c[nH]c2ccccc12 ZINC000822922304 628509601 /nfs/dbraw/zinc/50/96/01/628509601.db2.gz FKIZFIBWGYOIHD-AATRIKPKSA-N -1 3 321.365 3.306 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1c[nH]c2ccccc12 ZINC000822922304 628509604 /nfs/dbraw/zinc/50/96/04/628509604.db2.gz FKIZFIBWGYOIHD-AATRIKPKSA-N -1 3 321.365 3.306 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1 ZINC000822928528 628510148 /nfs/dbraw/zinc/51/01/48/628510148.db2.gz JFZWICJFJALHBJ-PLNGDYQASA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1 ZINC000822928528 628510152 /nfs/dbraw/zinc/51/01/52/628510152.db2.gz JFZWICJFJALHBJ-PLNGDYQASA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823504012 628570375 /nfs/dbraw/zinc/57/03/75/628570375.db2.gz LEYDFZRHODYDEC-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823504012 628570377 /nfs/dbraw/zinc/57/03/77/628570377.db2.gz LEYDFZRHODYDEC-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM C=CCC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)C1CC1 ZINC000823894448 628607675 /nfs/dbraw/zinc/60/76/75/628607675.db2.gz QLESXNQVWHMEOE-OAHLLOKOSA-N -1 3 312.373 3.077 20 30 DGEDHM C=CCC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)C1CC1 ZINC000823894448 628607679 /nfs/dbraw/zinc/60/76/79/628607679.db2.gz QLESXNQVWHMEOE-OAHLLOKOSA-N -1 3 312.373 3.077 20 30 DGEDHM C=CCCC[C@H](C)Sc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000823894228 628608116 /nfs/dbraw/zinc/60/81/16/628608116.db2.gz LCDZLZAIZDOIAQ-VIFPVBQESA-N -1 3 304.423 3.110 20 30 DGEDHM C=CCCC[C@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000823894228 628608117 /nfs/dbraw/zinc/60/81/17/628608117.db2.gz LCDZLZAIZDOIAQ-VIFPVBQESA-N -1 3 304.423 3.110 20 30 DGEDHM C=CCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823932300 628610773 /nfs/dbraw/zinc/61/07/73/628610773.db2.gz TVVPTEBAHZZLOY-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CCCCC1 ZINC000823953506 628613009 /nfs/dbraw/zinc/61/30/09/628613009.db2.gz CWPXIQZKAQKMEK-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CCCCC1 ZINC000823953506 628613010 /nfs/dbraw/zinc/61/30/10/628613010.db2.gz CWPXIQZKAQKMEK-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(C)ccc1F ZINC000823958517 628614199 /nfs/dbraw/zinc/61/41/99/628614199.db2.gz PLQNNQOTIGXANI-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(C)ccc1F ZINC000823958517 628614202 /nfs/dbraw/zinc/61/42/02/628614202.db2.gz PLQNNQOTIGXANI-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825271837 628745696 /nfs/dbraw/zinc/74/56/96/628745696.db2.gz OWLMJKUGDZAKPN-UHFFFAOYSA-N -1 3 307.423 3.019 20 30 DGEDHM CCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825271837 628745698 /nfs/dbraw/zinc/74/56/98/628745698.db2.gz OWLMJKUGDZAKPN-UHFFFAOYSA-N -1 3 307.423 3.019 20 30 DGEDHM C[C@@H](NC(=O)[O-])c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000825402846 628757891 /nfs/dbraw/zinc/75/78/91/628757891.db2.gz QRTXSMCZOGPWDD-LLVKDONJSA-N -1 3 315.398 3.238 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000826285781 628839295 /nfs/dbraw/zinc/83/92/95/628839295.db2.gz JPPBFGRSMUCPTP-FNORWQNLSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000826285781 628839296 /nfs/dbraw/zinc/83/92/96/628839296.db2.gz JPPBFGRSMUCPTP-FNORWQNLSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826285613 628839308 /nfs/dbraw/zinc/83/93/08/628839308.db2.gz DWYBOFMXXZTXRE-UHFFFAOYSA-N -1 3 318.793 3.336 20 30 DGEDHM Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826285613 628839310 /nfs/dbraw/zinc/83/93/10/628839310.db2.gz DWYBOFMXXZTXRE-UHFFFAOYSA-N -1 3 318.793 3.336 20 30 DGEDHM Cc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826306975 628843246 /nfs/dbraw/zinc/84/32/46/628843246.db2.gz RXHAWWLALSPAPR-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826306975 628843247 /nfs/dbraw/zinc/84/32/47/628843247.db2.gz RXHAWWLALSPAPR-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000826402247 628851614 /nfs/dbraw/zinc/85/16/14/628851614.db2.gz POSNCNWBIBKWIW-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000826402247 628851615 /nfs/dbraw/zinc/85/16/15/628851615.db2.gz POSNCNWBIBKWIW-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM CCOc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830099320 629225107 /nfs/dbraw/zinc/22/51/07/629225107.db2.gz CJEXDHQEINBLIR-SCLBCKFNSA-N -1 3 324.380 3.433 20 30 DGEDHM COc1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccc1C#N ZINC000832288887 629460073 /nfs/dbraw/zinc/46/00/73/629460073.db2.gz BBCVMJOHNNREBG-GFCCVEGCSA-N -1 3 322.364 3.426 20 30 DGEDHM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832921054 629532892 /nfs/dbraw/zinc/53/28/92/629532892.db2.gz JWUMUHZVJFCDLL-SJKOYZFVSA-N -1 3 312.344 3.482 20 30 DGEDHM N#Cc1cccc([C@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000833075035 629555323 /nfs/dbraw/zinc/55/53/23/629555323.db2.gz GXOYNFQJDYAUAZ-HNNXBMFYSA-N -1 3 318.735 3.266 20 30 DGEDHM C[C@@H](Oc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000833541774 629618094 /nfs/dbraw/zinc/61/80/94/629618094.db2.gz SXIBGRKISBSDMU-UONOGXRCSA-N -1 3 324.380 3.261 20 30 DGEDHM C[C@@]1(c2ccccc2)CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833577550 629624171 /nfs/dbraw/zinc/62/41/71/629624171.db2.gz KJZDBOLUVZNDMM-HXUWFJFHSA-N -1 3 320.392 3.420 20 30 DGEDHM C=C[C@@H](CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000837601909 630283879 /nfs/dbraw/zinc/28/38/79/630283879.db2.gz HPTMWKZABNXHOC-ZDUSSCGKSA-N -1 3 324.380 3.463 20 30 DGEDHM C[C@@]1(COC(=O)c2cc([O-])cc(C#N)c2)CC1(Cl)Cl ZINC000837647342 630292178 /nfs/dbraw/zinc/29/21/78/630292178.db2.gz ZNJIWUTZQWTKMK-LBPRGKRZSA-N -1 3 300.141 3.005 20 30 DGEDHM CSC=CC([O-])=C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000845839603 631198329 /nfs/dbraw/zinc/19/83/29/631198329.db2.gz YSFDXECXASHLPZ-XUIVZRPNSA-N -1 3 305.424 3.395 20 30 DGEDHM N#CC(C(=O)[C@@H]1CC1(Cl)Cl)=C([O-])C1(c2ccccc2)CC1 ZINC000845839456 631198482 /nfs/dbraw/zinc/19/84/82/631198482.db2.gz HNNKSJJPICGPPN-RYUDHWBXSA-N -1 3 322.191 3.190 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1CC1(Cl)Cl ZINC000845839456 631198483 /nfs/dbraw/zinc/19/84/83/631198483.db2.gz HNNKSJJPICGPPN-RYUDHWBXSA-N -1 3 322.191 3.190 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1cc(Br)cs1 ZINC000846543970 631258200 /nfs/dbraw/zinc/25/82/00/631258200.db2.gz DJNYZPQCSGMGQL-QMMMGPOBSA-N -1 3 304.209 3.066 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1 ZINC000846551151 631259352 /nfs/dbraw/zinc/25/93/52/631259352.db2.gz XFUFTLSXLQKHBI-CYBMUJFWSA-N -1 3 319.401 3.307 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1 ZINC000846551153 631259863 /nfs/dbraw/zinc/25/98/63/631259863.db2.gz XFUFTLSXLQKHBI-ZDUSSCGKSA-N -1 3 319.401 3.307 20 30 DGEDHM Cc1c(N=NC2CCCN3CCCC[C@@H]23)cccc1C(=O)[O-] ZINC000848415744 631657491 /nfs/dbraw/zinc/65/74/91/631657491.db2.gz XNRGZCPBWAZKHX-INIZCTEOSA-N -1 3 301.390 3.109 20 30 DGEDHM Cc1c(N=NC2CCCN3CCCC[C@H]23)cccc1C(=O)[O-] ZINC000848415747 631657693 /nfs/dbraw/zinc/65/76/93/631657693.db2.gz XNRGZCPBWAZKHX-MRXNPFEDSA-N -1 3 301.390 3.109 20 30 DGEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cnsn1 ZINC000108240062 631828842 /nfs/dbraw/zinc/82/88/42/631828842.db2.gz WVVXIYBYYABUBF-SECBINFHSA-N -1 3 304.400 3.042 20 30 DGEDHM Cc1cc(F)ccc1C[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000849171190 631852660 /nfs/dbraw/zinc/85/26/60/631852660.db2.gz ZMFGFKXSTACEHN-AHURVMIPSA-N -1 3 316.376 3.086 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C2CCC2)nn1 ZINC000849243886 631862542 /nfs/dbraw/zinc/86/25/42/631862542.db2.gz OTUQBWQWADNUEC-PPLKPFPSSA-N -1 3 313.332 3.231 20 30 DGEDHM C#CC[C@@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000849344099 631897308 /nfs/dbraw/zinc/89/73/08/631897308.db2.gz BPNYNUKDWCMNRW-CYBMUJFWSA-N -1 3 321.804 3.152 20 30 DGEDHM CC(C)(C)OC(=O)N1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000110129467 632469148 /nfs/dbraw/zinc/46/91/48/632469148.db2.gz GMDJNXPWUHGAPV-VVSAQIQQSA-N -1 3 324.808 3.474 20 30 DGEDHM N#CCCN(Cc1cccc(Br)c1[O-])CC1CC1 ZINC000093091455 660534072 /nfs/dbraw/zinc/53/40/72/660534072.db2.gz UPCPTYGBWARACW-UHFFFAOYSA-N -1 3 309.207 3.280 20 30 DGEDHM O=c1[n-]c(N=NC2CCC[C@@H]2c2ccccn2)nc2ccccc21 ZINC000794918763 661113349 /nfs/dbraw/zinc/11/33/49/661113349.db2.gz KLNUTWVPXWMAAT-GFCCVEGCSA-N -1 3 319.368 3.466 20 30 DGEDHM COc1cc(/C=C\C(=O)c2cncc(F)c2)cc(Cl)c1[O-] ZINC000255159926 655617321 /nfs/dbraw/zinc/61/73/21/655617321.db2.gz BYELPUQLOHLWMD-IHWYPQMZSA-N -1 3 307.708 3.484 20 30 DGEDHM COc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)cc(Cl)c1[O-] ZINC000064926050 655634839 /nfs/dbraw/zinc/63/48/39/655634839.db2.gz AGMUTKCDJXOFPN-AATRIKPKSA-N -1 3 320.776 3.301 20 30 DGEDHM CCOc1cc(/C=C\C(=O)c2cnccn2)cc(Cl)c1[O-] ZINC000255384929 655723687 /nfs/dbraw/zinc/72/36/87/655723687.db2.gz JLUWFDNIYNRSNY-ARJAWSKDSA-N -1 3 304.733 3.130 20 30 DGEDHM CS(=O)(=O)Nc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255470696 655757458 /nfs/dbraw/zinc/75/74/58/655757458.db2.gz JHUDECDWSOBYLS-UHFFFAOYSA-N -1 3 324.789 3.168 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCN(c2ccccn2)C1 ZINC000255626866 655879274 /nfs/dbraw/zinc/87/92/74/655879274.db2.gz KIEFDPJKOSYMCU-VAODSVERSA-N -1 3 301.777 3.138 20 30 DGEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCN1c1ccccc1 ZINC000255843968 655911189 /nfs/dbraw/zinc/91/11/89/655911189.db2.gz KPRPRIYSQJPHQW-VUQQOUJSSA-N -1 3 314.772 3.270 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(F)cc2)c(OC)cc1[O-] ZINC000255886636 655949579 /nfs/dbraw/zinc/94/95/79/655949579.db2.gz FJCWMGFEYBMECI-YVMONPNESA-N -1 3 302.301 3.445 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Cl)cc2F)c1 ZINC000811186011 661231122 /nfs/dbraw/zinc/23/11/22/661231122.db2.gz ZIAUTUSAKSHGNB-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cccc3cccnc32)c1 ZINC000811188197 661231203 /nfs/dbraw/zinc/23/12/03/661231203.db2.gz CPIOCMTXTPYKSQ-UHFFFAOYSA-N -1 3 304.305 3.169 20 30 DGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000811187580 661231322 /nfs/dbraw/zinc/23/13/22/661231322.db2.gz UJGDPCXRIAHSCQ-JTQLQIEISA-N -1 3 312.281 3.090 20 30 DGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2o1 ZINC000811187128 661231330 /nfs/dbraw/zinc/23/13/30/661231330.db2.gz KPVHGYXAHGJMIT-SNVBAGLBSA-N -1 3 308.293 3.323 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cccc(-n3cccn3)c2)ccc1[O-] ZINC000157221829 659029933 /nfs/dbraw/zinc/02/99/33/659029933.db2.gz GUYMCNYFYKNHSS-SOFGYWHQSA-N -1 3 320.348 3.483 20 30 DGEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130165560 659530678 /nfs/dbraw/zinc/53/06/78/659530678.db2.gz DLWQKPATZZVFSL-LLVKDONJSA-N -1 3 320.707 3.342 20 30 DGEDHM CCCCCCC[C@@H](C)CNc1ncncc1-c1nnn[n-]1 ZINC001577505943 1191905820 /nfs/dbraw/zinc/90/58/20/1191905820.db2.gz PHXKTQJLXZMGOJ-GFCCVEGCSA-N -1 3 303.414 3.065 20 30 DGEDHM CCCCCCC[C@@H](C)CNc1nnccc1-c1nnn[n-]1 ZINC001577505197 1191906200 /nfs/dbraw/zinc/90/62/00/1191906200.db2.gz HRJIAKAYUMZCES-GFCCVEGCSA-N -1 3 303.414 3.065 20 30 DGEDHM CCCCCCC[C@@H](C)CNc1nnccc1-c1nn[n-]n1 ZINC001577505197 1191906204 /nfs/dbraw/zinc/90/62/04/1191906204.db2.gz HRJIAKAYUMZCES-GFCCVEGCSA-N -1 3 303.414 3.065 20 30 DGEDHM Cc1ccc(C(=O)Nc2nc3cc(C#N)ccc3[nH]2)c([O-])c1C ZINC001586346126 1192323731 /nfs/dbraw/zinc/32/37/31/1192323731.db2.gz LIBBEIJFFKTWTC-UHFFFAOYSA-N -1 3 306.325 3.009 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588345201 1192445444 /nfs/dbraw/zinc/44/54/44/1192445444.db2.gz VCFMQUNNRBZNTA-UHFFFAOYSA-N -1 3 323.400 3.266 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588345201 1192445449 /nfs/dbraw/zinc/44/54/49/1192445449.db2.gz VCFMQUNNRBZNTA-UHFFFAOYSA-N -1 3 323.400 3.266 20 30 DGEDHM C#CCCCCCCNc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588345703 1192445618 /nfs/dbraw/zinc/44/56/18/1192445618.db2.gz JBQBKNLSQJPTFK-UHFFFAOYSA-N -1 3 313.405 3.261 20 30 DGEDHM C#CCCCCCCNc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588345703 1192445620 /nfs/dbraw/zinc/44/56/20/1192445620.db2.gz JBQBKNLSQJPTFK-UHFFFAOYSA-N -1 3 313.405 3.261 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588425918 1192447944 /nfs/dbraw/zinc/44/79/44/1192447944.db2.gz AUEUDYZDFCBZNY-UHFFFAOYSA-N -1 3 320.400 3.153 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588425918 1192447945 /nfs/dbraw/zinc/44/79/45/1192447945.db2.gz AUEUDYZDFCBZNY-UHFFFAOYSA-N -1 3 320.400 3.153 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)c1nccc(C)c1-c1nnn[n-]1 ZINC001588425965 1192447964 /nfs/dbraw/zinc/44/79/64/1192447964.db2.gz DNDZYLTZFMZKIX-UHFFFAOYSA-N -1 3 320.400 3.153 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)c1nccc(C)c1-c1nn[n-]n1 ZINC001588425965 1192447965 /nfs/dbraw/zinc/44/79/65/1192447965.db2.gz DNDZYLTZFMZKIX-UHFFFAOYSA-N -1 3 320.400 3.153 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588406835 1192446499 /nfs/dbraw/zinc/44/64/99/1192446499.db2.gz XTKOUKMPHAWLRJ-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588406835 1192446503 /nfs/dbraw/zinc/44/65/03/1192446503.db2.gz XTKOUKMPHAWLRJ-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2cscc2-c2nnn[n-]2)c1 ZINC001588443226 1192447498 /nfs/dbraw/zinc/44/74/98/1192447498.db2.gz WMHVXBRHVJYBEV-UHFFFAOYSA-N -1 3 311.370 3.214 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2cscc2-c2nn[n-]n2)c1 ZINC001588443226 1192447501 /nfs/dbraw/zinc/44/75/01/1192447501.db2.gz WMHVXBRHVJYBEV-UHFFFAOYSA-N -1 3 311.370 3.214 20 30 DGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588525918 1192448551 /nfs/dbraw/zinc/44/85/51/1192448551.db2.gz NJTMARISPJFGSW-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588525918 1192448555 /nfs/dbraw/zinc/44/85/55/1192448555.db2.gz NJTMARISPJFGSW-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=CCC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCCC1 ZINC001588556971 1192449808 /nfs/dbraw/zinc/44/98/08/1192449808.db2.gz WHBNZPOSYPGJIK-UHFFFAOYSA-N -1 3 311.389 3.250 20 30 DGEDHM C=CCC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCCC1 ZINC001588556971 1192449811 /nfs/dbraw/zinc/44/98/11/1192449811.db2.gz WHBNZPOSYPGJIK-UHFFFAOYSA-N -1 3 311.389 3.250 20 30 DGEDHM C=CCN(C(=O)c1ccc(C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588625784 1192451954 /nfs/dbraw/zinc/45/19/54/1192451954.db2.gz QHKYPKMERXYOFM-UHFFFAOYSA-N -1 3 319.368 3.008 20 30 DGEDHM C=CCN(C(=O)c1ccc(C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588625784 1192451956 /nfs/dbraw/zinc/45/19/56/1192451956.db2.gz QHKYPKMERXYOFM-UHFFFAOYSA-N -1 3 319.368 3.008 20 30 DGEDHM C[C@@H](Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589981846 1192480872 /nfs/dbraw/zinc/48/08/72/1192480872.db2.gz QRZRFEOMJMDGAJ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589981846 1192480875 /nfs/dbraw/zinc/48/08/75/1192480875.db2.gz QRZRFEOMJMDGAJ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM CC1(C)CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC001590081435 1192485854 /nfs/dbraw/zinc/48/58/54/1192485854.db2.gz YMEMBMBHOQFCDF-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC1(C)CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001590081435 1192485856 /nfs/dbraw/zinc/48/58/56/1192485856.db2.gz YMEMBMBHOQFCDF-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC1(C)CC(=NNc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001590080767 1192486004 /nfs/dbraw/zinc/48/60/04/1192486004.db2.gz PLZLRIZOQWEZLN-UHFFFAOYSA-N -1 3 318.384 3.364 20 30 DGEDHM CC1(C)CC(=NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001590080767 1192486008 /nfs/dbraw/zinc/48/60/08/1192486008.db2.gz PLZLRIZOQWEZLN-UHFFFAOYSA-N -1 3 318.384 3.364 20 30 DGEDHM CC1(C)CCCC(=Cc2cnc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC001590093474 1192487082 /nfs/dbraw/zinc/48/70/82/1192487082.db2.gz RMVAJFKPCMMAAU-UXBLZVDNSA-N -1 3 317.780 3.078 20 30 DGEDHM CC1(C)CCCC(=Cc2cnc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC001590093474 1192487085 /nfs/dbraw/zinc/48/70/85/1192487085.db2.gz RMVAJFKPCMMAAU-UXBLZVDNSA-N -1 3 317.780 3.078 20 30 DGEDHM C[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001590247193 1192497334 /nfs/dbraw/zinc/49/73/34/1192497334.db2.gz IDWAIGWUNYIKHF-QMMMGPOBSA-N -1 3 324.310 3.473 20 30 DGEDHM C[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001590247193 1192497339 /nfs/dbraw/zinc/49/73/39/1192497339.db2.gz IDWAIGWUNYIKHF-QMMMGPOBSA-N -1 3 324.310 3.473 20 30 DGEDHM CCC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001590488182 1192513181 /nfs/dbraw/zinc/51/31/81/1192513181.db2.gz FSEVQUXSXNDHQT-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CCC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001590488182 1192513183 /nfs/dbraw/zinc/51/31/83/1192513183.db2.gz FSEVQUXSXNDHQT-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)o1 ZINC001590884854 1192554131 /nfs/dbraw/zinc/55/41/31/1192554131.db2.gz ZTDGKSVLDXFEQY-YVMONPNESA-N -1 3 308.341 3.227 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)o1 ZINC001590884854 1192554133 /nfs/dbraw/zinc/55/41/33/1192554133.db2.gz ZTDGKSVLDXFEQY-YVMONPNESA-N -1 3 308.341 3.227 20 30 DGEDHM CSc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591707528 1192571021 /nfs/dbraw/zinc/57/10/21/1192571021.db2.gz QJPDXPAAQDGJHO-UHFFFAOYSA-N -1 3 324.413 3.425 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1COc1cccc(F)c1C#N ZINC001591849562 1192575259 /nfs/dbraw/zinc/57/52/59/1192575259.db2.gz VZUAKFROCDJSKF-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1COc1cccc(F)c1C#N ZINC001591849562 1192575260 /nfs/dbraw/zinc/57/52/60/1192575260.db2.gz VZUAKFROCDJSKF-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(C)cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001591951256 1192580983 /nfs/dbraw/zinc/58/09/83/1192580983.db2.gz CQIFTNBGTHRAIV-VOTSOKGWSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C)cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591951256 1192580988 /nfs/dbraw/zinc/58/09/88/1192580988.db2.gz CQIFTNBGTHRAIV-VOTSOKGWSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(CNc2ccc(CCC#N)cc2)ccc1-c1nnn[n-]1 ZINC001591970866 1192584774 /nfs/dbraw/zinc/58/47/74/1192584774.db2.gz SHIIIGVJJOLVKC-UHFFFAOYSA-N -1 3 318.384 3.243 20 30 DGEDHM Cc1cc(CNc2ccc(CCC#N)cc2)ccc1-c1nn[n-]n1 ZINC001591970866 1192584780 /nfs/dbraw/zinc/58/47/80/1192584780.db2.gz SHIIIGVJJOLVKC-UHFFFAOYSA-N -1 3 318.384 3.243 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001592115300 1192593833 /nfs/dbraw/zinc/59/38/33/1192593833.db2.gz ALRZJQQNMPLZNN-POHAHGRESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001592115300 1192593835 /nfs/dbraw/zinc/59/38/35/1192593835.db2.gz ALRZJQQNMPLZNN-POHAHGRESA-N -1 3 304.353 3.380 20 30 DGEDHM Fc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC001592638384 1192620212 /nfs/dbraw/zinc/62/02/12/1192620212.db2.gz QAHVLNJRUJCESB-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC001592638384 1192620216 /nfs/dbraw/zinc/62/02/16/1192620216.db2.gz QAHVLNJRUJCESB-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#CC1(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC001592669418 1192625623 /nfs/dbraw/zinc/62/56/23/1192625623.db2.gz HZJCOHFKHDAQLJ-UHFFFAOYSA-N -1 3 302.769 3.016 20 30 DGEDHM N#CC1(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC001592669418 1192625629 /nfs/dbraw/zinc/62/56/29/1192625629.db2.gz HZJCOHFKHDAQLJ-UHFFFAOYSA-N -1 3 302.769 3.016 20 30 DGEDHM N#CC1(CSc2ccc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC001592670688 1192626376 /nfs/dbraw/zinc/62/63/76/1192626376.db2.gz LAQLPJFSUWEPDU-UHFFFAOYSA-N -1 3 305.794 3.306 20 30 DGEDHM N#CC1(CSc2ccc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC001592670688 1192626378 /nfs/dbraw/zinc/62/63/78/1192626378.db2.gz LAQLPJFSUWEPDU-UHFFFAOYSA-N -1 3 305.794 3.306 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001592791767 1192627206 /nfs/dbraw/zinc/62/72/06/1192627206.db2.gz KQZPAYYKALFSHD-ALCCZGGFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001592791767 1192627209 /nfs/dbraw/zinc/62/72/09/1192627209.db2.gz KQZPAYYKALFSHD-ALCCZGGFSA-N -1 3 312.279 3.041 20 30 DGEDHM c1ccc2c(c1)CCCCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC001593560496 1192633518 /nfs/dbraw/zinc/63/35/18/1192633518.db2.gz CHIREDKYWVUDMF-UHFFFAOYSA-N -1 3 318.384 3.409 20 30 DGEDHM Cc1cc(CN[C@H](C)c2ccc(OCC(=O)[O-])cc2)ccc1C#N ZINC001600203286 1192805998 /nfs/dbraw/zinc/80/59/98/1192805998.db2.gz HFQUEBCQPULTAH-CQSZACIVSA-N -1 3 324.380 3.181 20 30 DGEDHM Cc1cc(F)ccc1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600233922 1192816621 /nfs/dbraw/zinc/81/66/21/1192816621.db2.gz OLLYVQLSGCAYOP-SJKOYZFVSA-N -1 3 312.344 3.482 20 30 DGEDHM Cc1cc2cc(CN[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2[nH]1 ZINC001600308352 1192829834 /nfs/dbraw/zinc/82/98/34/1192829834.db2.gz ADBANOIYBFJZML-GOSISDBHSA-N -1 3 319.364 3.264 20 30 DGEDHM Cc1coc([N-]C(=O)c2cc3c(cc2F)C(=O)CCC3)c1C#N ZINC001157049472 1178040483 /nfs/dbraw/zinc/04/04/83/1178040483.db2.gz SYKHOZNJWZEXMN-UHFFFAOYSA-N -1 3 312.300 3.370 20 30 DGEDHM N#Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1C1CC1 ZINC001333137971 1178561659 /nfs/dbraw/zinc/56/16/59/1178561659.db2.gz XKZCKUJLACBPRN-UHFFFAOYSA-N -1 3 306.369 3.421 20 30 DGEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)cnn1C1CCCC1 ZINC001333205072 1178571441 /nfs/dbraw/zinc/57/14/41/1178571441.db2.gz SIKQXGCMFPENRR-UHFFFAOYSA-N -1 3 317.364 3.477 20 30 DGEDHM N#Cc1ccc(CNCc2c3ccccc3[nH]c2C(=O)[O-])s1 ZINC001601101526 1192918946 /nfs/dbraw/zinc/91/89/46/1192918946.db2.gz CJXMCSNFSPMZMA-UHFFFAOYSA-N -1 3 311.366 3.089 20 30 DGEDHM CCC(CC)n1nccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001347123540 1179779770 /nfs/dbraw/zinc/77/97/70/1179779770.db2.gz MKLBBJARZWKBPS-LBPRGKRZSA-N -1 3 300.337 3.268 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1cccc(F)n1 ZINC001347137539 1179782699 /nfs/dbraw/zinc/78/26/99/1179782699.db2.gz OSHZLDBSGHQKJD-ZWNMCFTASA-N -1 3 301.708 3.159 20 30 DGEDHM COc1cnc(C(=O)[N-]c2sc(C)c(C)c2C#N)c(F)c1 ZINC001349964059 1179987080 /nfs/dbraw/zinc/98/70/80/1179987080.db2.gz KPBNMJDTIHERSL-UHFFFAOYSA-N -1 3 305.334 3.032 20 30 DGEDHM C=CC(C)(C)CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001602787095 1192997505 /nfs/dbraw/zinc/99/75/05/1192997505.db2.gz ZGEVBMMVHAMOTB-UHFFFAOYSA-N -1 3 300.391 3.101 20 30 DGEDHM C=CC(C)(C)CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001602787095 1192997507 /nfs/dbraw/zinc/99/75/07/1192997507.db2.gz ZGEVBMMVHAMOTB-UHFFFAOYSA-N -1 3 300.391 3.101 20 30 DGEDHM C=CC[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602816871 1192998837 /nfs/dbraw/zinc/99/88/37/1192998837.db2.gz VQCDGLDLDVNJFB-MRXNPFEDSA-N -1 3 320.352 3.341 20 30 DGEDHM C=CC[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602816871 1192998840 /nfs/dbraw/zinc/99/88/40/1192998840.db2.gz VQCDGLDLDVNJFB-MRXNPFEDSA-N -1 3 320.352 3.341 20 30 DGEDHM C=CCN(c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC001602862296 1193000656 /nfs/dbraw/zinc/00/06/56/1193000656.db2.gz HZFLYTDCDFRGTG-UHFFFAOYSA-N -1 3 309.295 3.040 20 30 DGEDHM C=CCN(c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC001602862296 1193000657 /nfs/dbraw/zinc/00/06/57/1193000657.db2.gz HZFLYTDCDFRGTG-UHFFFAOYSA-N -1 3 309.295 3.040 20 30 DGEDHM CC(C)(C)CN=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001603069101 1193006766 /nfs/dbraw/zinc/00/67/66/1193006766.db2.gz LJNDNALRQLTGRI-UHFFFAOYSA-N -1 3 312.299 3.329 20 30 DGEDHM CC(C)(C)CN=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001603069101 1193006769 /nfs/dbraw/zinc/00/67/69/1193006769.db2.gz LJNDNALRQLTGRI-UHFFFAOYSA-N -1 3 312.299 3.329 20 30 DGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCCCC3)n2C)c1[O-] ZINC001351290813 1180196263 /nfs/dbraw/zinc/19/62/63/1180196263.db2.gz LZCFDWDSVPASBH-UHFFFAOYSA-N -1 3 312.417 3.297 20 30 DGEDHM CC(CCCC(F)(F)F)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001603466560 1193018045 /nfs/dbraw/zinc/01/80/45/1193018045.db2.gz LVTMQQALKMPJEO-UHFFFAOYSA-N -1 3 312.299 3.387 20 30 DGEDHM CC(CCCC(F)(F)F)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001603466560 1193018047 /nfs/dbraw/zinc/01/80/47/1193018047.db2.gz LVTMQQALKMPJEO-UHFFFAOYSA-N -1 3 312.299 3.387 20 30 DGEDHM N#C[C@H]1CC[C@@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C1 ZINC001358087016 1181454496 /nfs/dbraw/zinc/45/44/96/1181454496.db2.gz FHEXYRMOMGBZJY-DTWKUNHWSA-N -1 3 305.284 3.350 20 30 DGEDHM COCc1ccc(Sc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001605133917 1193118634 /nfs/dbraw/zinc/11/86/34/1193118634.db2.gz KZOKHYYFOBXHJC-UHFFFAOYSA-N -1 3 323.381 3.036 20 30 DGEDHM COCc1ccc(Sc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001605133917 1193118635 /nfs/dbraw/zinc/11/86/35/1193118635.db2.gz KZOKHYYFOBXHJC-UHFFFAOYSA-N -1 3 323.381 3.036 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605264091 1193137756 /nfs/dbraw/zinc/13/77/56/1193137756.db2.gz IXYQREJNTDQZLP-BQYQJAHWSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605264091 1193137767 /nfs/dbraw/zinc/13/77/67/1193137767.db2.gz IXYQREJNTDQZLP-BQYQJAHWSA-N -1 3 320.352 3.080 20 30 DGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001446644177 1182173046 /nfs/dbraw/zinc/17/30/46/1182173046.db2.gz MWNCQNJTJLECBM-LLVKDONJSA-N -1 3 314.316 3.003 20 30 DGEDHM Cc1cc(F)c(C#N)c(Sc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001605678062 1193164231 /nfs/dbraw/zinc/16/42/31/1193164231.db2.gz OTOCPMVNHHFVMR-UHFFFAOYSA-N -1 3 311.345 3.337 20 30 DGEDHM Cc1cc(F)c(C#N)c(Sc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605678062 1193164233 /nfs/dbraw/zinc/16/42/33/1193164233.db2.gz OTOCPMVNHHFVMR-UHFFFAOYSA-N -1 3 311.345 3.337 20 30 DGEDHM CCc1[nH]nc(Cl)c1C(=O)N([O-])CCCCc1ccccc1 ZINC001458007614 1182490475 /nfs/dbraw/zinc/49/04/75/1182490475.db2.gz KDHFGBKOJGOQQM-UHFFFAOYSA-N -1 3 321.808 3.480 20 30 DGEDHM N#Cc1nc([N-]c2ccn(Cc3ccccn3)n2)sc1Cl ZINC001458168859 1182501498 /nfs/dbraw/zinc/50/14/98/1182501498.db2.gz ZFVLRDYPHXRZNO-UHFFFAOYSA-N -1 3 316.777 3.052 20 30 DGEDHM N#Cc1ccc(F)c([N-]C(=O)c2occc2Br)c1 ZINC001460787462 1182723287 /nfs/dbraw/zinc/72/32/87/1182723287.db2.gz IYKRVNGLSVLBDG-UHFFFAOYSA-N -1 3 309.094 3.305 20 30 DGEDHM C#CCN(CC(=O)OC(C)(C)C)Cc1cc(Cl)c(C)cc1[O-] ZINC001462409831 1182949760 /nfs/dbraw/zinc/94/97/60/1182949760.db2.gz HWLWOGLNVGLCPU-UHFFFAOYSA-N -1 3 323.820 3.131 20 30 DGEDHM Clc1cc(N=NC2CC[C@H]2C2CCC2)ccc1-c1nnn[n-]1 ZINC001606189277 1193194180 /nfs/dbraw/zinc/19/41/80/1193194180.db2.gz XWROEODVRUKZOR-NSHDSACASA-N -1 3 316.796 3.498 20 30 DGEDHM Clc1cc(N=NC2CC[C@H]2C2CCC2)ccc1-c1nn[n-]n1 ZINC001606189277 1193194181 /nfs/dbraw/zinc/19/41/81/1193194181.db2.gz XWROEODVRUKZOR-NSHDSACASA-N -1 3 316.796 3.498 20 30 DGEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC001606364085 1193199661 /nfs/dbraw/zinc/19/96/61/1193199661.db2.gz VBCSZYPPRRFSIE-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001606364085 1193199663 /nfs/dbraw/zinc/19/96/63/1193199663.db2.gz VBCSZYPPRRFSIE-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC001606482366 1193200013 /nfs/dbraw/zinc/20/00/13/1193200013.db2.gz MFZLMFIRJIYZSR-XCVCLJGOSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC001606482366 1193200016 /nfs/dbraw/zinc/20/00/16/1193200016.db2.gz MFZLMFIRJIYZSR-XCVCLJGOSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001606481799 1193200057 /nfs/dbraw/zinc/20/00/57/1193200057.db2.gz CNQDJJQDGMZVOT-BQYQJAHWSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001606481799 1193200060 /nfs/dbraw/zinc/20/00/60/1193200060.db2.gz CNQDJJQDGMZVOT-BQYQJAHWSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CCCCC1 ZINC001606482047 1193200163 /nfs/dbraw/zinc/20/01/63/1193200163.db2.gz IHASBVNBYDBHHZ-VQHVLOKHSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CCCCC1 ZINC001606482047 1193200164 /nfs/dbraw/zinc/20/01/64/1193200164.db2.gz IHASBVNBYDBHHZ-VQHVLOKHSA-N -1 3 300.337 3.168 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H]1c1ccsc1 ZINC001606380921 1193200409 /nfs/dbraw/zinc/20/04/09/1193200409.db2.gz GQFMCOVHAAOORO-CQSZACIVSA-N -1 3 322.397 3.141 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H]1c1ccsc1 ZINC001606380921 1193200411 /nfs/dbraw/zinc/20/04/11/1193200411.db2.gz GQFMCOVHAAOORO-CQSZACIVSA-N -1 3 322.397 3.141 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001607036169 1193210366 /nfs/dbraw/zinc/21/03/66/1193210366.db2.gz CETFJRKVSVMUHT-JLHYYAGUSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001607036169 1193210370 /nfs/dbraw/zinc/21/03/70/1193210370.db2.gz CETFJRKVSVMUHT-JLHYYAGUSA-N -1 3 320.327 3.218 20 30 DGEDHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC001607291484 1193222446 /nfs/dbraw/zinc/22/24/46/1193222446.db2.gz BZKDTPRIDKKJKG-SCLBCKFNSA-N -1 3 324.380 3.352 20 30 DGEDHM N#CC[C@@H](CC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001471976346 1183603777 /nfs/dbraw/zinc/60/37/77/1183603777.db2.gz XBQNSUFEQBJIJK-AWEZNQCLSA-N -1 3 312.344 3.235 20 30 DGEDHM CCCCN([O-])C(=O)Cc1cc(Br)ccc1F ZINC001472620950 1183657060 /nfs/dbraw/zinc/65/70/60/1183657060.db2.gz ZQHGVAIDHQORAD-UHFFFAOYSA-N -1 3 304.159 3.149 20 30 DGEDHM CCCCN([O-])C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC001472620664 1183657248 /nfs/dbraw/zinc/65/72/48/1183657248.db2.gz KVHNYTXYCSYDJZ-UHFFFAOYSA-N -1 3 314.341 3.362 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001472621260 1183657994 /nfs/dbraw/zinc/65/79/94/1183657994.db2.gz MWWSLHJTCYPIIO-JOCQHMNTSA-N -1 3 314.426 3.088 20 30 DGEDHM C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CCOc2ccccc21 ZINC001472623076 1183658480 /nfs/dbraw/zinc/65/84/80/1183658480.db2.gz RQGMMAPIPZIFNP-GOSISDBHSA-N -1 3 315.344 3.284 20 30 DGEDHM O=C(c1ccnn1-c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001472622327 1183658618 /nfs/dbraw/zinc/65/86/18/1183658618.db2.gz JDVJHFOYNOTHAH-UHFFFAOYSA-N -1 3 311.316 3.043 20 30 DGEDHM Cc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1Cl ZINC001607646647 1193244357 /nfs/dbraw/zinc/24/43/57/1193244357.db2.gz QTPLDXUOLGFTJY-INIZCTEOSA-N -1 3 314.772 3.436 20 30 DGEDHM N#Cc1cccc(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC001474565508 1183941427 /nfs/dbraw/zinc/94/14/27/1183941427.db2.gz WZTVDXMGORJFOT-UHFFFAOYSA-N -1 3 308.168 3.255 20 30 DGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1 ZINC001475127639 1183990237 /nfs/dbraw/zinc/99/02/37/1183990237.db2.gz SKZBLXIMGLGBNO-GFCCVEGCSA-N -1 3 324.402 3.188 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC001609053534 1193322623 /nfs/dbraw/zinc/32/26/23/1193322623.db2.gz MGSQMLAAHBHYCF-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC001609053534 1193322625 /nfs/dbraw/zinc/32/26/25/1193322625.db2.gz MGSQMLAAHBHYCF-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM CC(C)(CC#N)CNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001609082893 1193323805 /nfs/dbraw/zinc/32/38/05/1193323805.db2.gz KMEVBLYCCJWVRC-UHFFFAOYSA-N -1 3 324.310 3.237 20 30 DGEDHM CC(C)(CC#N)CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001609082893 1193323807 /nfs/dbraw/zinc/32/38/07/1193323807.db2.gz KMEVBLYCCJWVRC-UHFFFAOYSA-N -1 3 324.310 3.237 20 30 DGEDHM Cc1nc(C)c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)[nH]1 ZINC001654803035 1195842580 /nfs/dbraw/zinc/84/25/80/1195842580.db2.gz DGGMIVQZYCALAG-UHFFFAOYSA-N -1 3 314.172 3.365 20 30 DGEDHM CCC(=NNc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609180814 1193329221 /nfs/dbraw/zinc/32/92/21/1193329221.db2.gz MBZRPZKIGNKCCC-UHFFFAOYSA-N -1 3 306.373 3.401 20 30 DGEDHM CCC(=NNc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609180814 1193329223 /nfs/dbraw/zinc/32/92/23/1193329223.db2.gz MBZRPZKIGNKCCC-UHFFFAOYSA-N -1 3 306.373 3.401 20 30 DGEDHM Clc1cccc(CCN=Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609473657 1193341210 /nfs/dbraw/zinc/34/12/10/1193341210.db2.gz AZVPRVDIAXTAPT-UHFFFAOYSA-N -1 3 312.764 3.161 20 30 DGEDHM Clc1cccc(CCN=Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609473657 1193341212 /nfs/dbraw/zinc/34/12/12/1193341212.db2.gz AZVPRVDIAXTAPT-UHFFFAOYSA-N -1 3 312.764 3.161 20 30 DGEDHM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609518049 1193343428 /nfs/dbraw/zinc/34/34/28/1193343428.db2.gz ZUPPEKSLOHGFMU-RUDMXATFSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609518049 1193343430 /nfs/dbraw/zinc/34/34/30/1193343430.db2.gz ZUPPEKSLOHGFMU-RUDMXATFSA-N -1 3 310.744 3.416 20 30 DGEDHM COC[C@H](C)[C@@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001611662339 1193439079 /nfs/dbraw/zinc/43/90/79/1193439079.db2.gz DDWMSSWXDFVSKI-UONOGXRCSA-N -1 3 301.386 3.476 20 30 DGEDHM COc1nc(C)ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001611651064 1193439114 /nfs/dbraw/zinc/43/91/14/1193439114.db2.gz XISZRZCAMAYEMI-UHFFFAOYSA-N -1 3 306.749 3.084 20 30 DGEDHM O=C(c1ccc(OCC2CC2)nc1)N([O-])Cc1ccc(F)cc1 ZINC001611667033 1193439978 /nfs/dbraw/zinc/43/99/78/1193439978.db2.gz LZDVNYCWSCKLNR-UHFFFAOYSA-N -1 3 316.332 3.041 20 30 DGEDHM Cc1nsc([N-]C(=O)c2csc(-c3ccco3)n2)c1C#N ZINC001523957116 1187204919 /nfs/dbraw/zinc/20/49/19/1187204919.db2.gz LLUSAJAMVUZVNG-UHFFFAOYSA-N -1 3 316.367 3.292 20 30 DGEDHM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C#N)ccc2F)c(F)c1 ZINC001537454052 1188076366 /nfs/dbraw/zinc/07/63/66/1188076366.db2.gz RPQWTKOSPLIIAG-UHFFFAOYSA-N -1 3 318.254 3.430 20 30 DGEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1ccc(F)cc1F ZINC001543486239 1188337099 /nfs/dbraw/zinc/33/70/99/1188337099.db2.gz ACJFDFLJZZUOLX-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM N#Cc1cccc(C(=O)Nc2ccccc2[O-])c1Br ZINC001544982116 1188418452 /nfs/dbraw/zinc/41/84/52/1188418452.db2.gz FJKKRHUEOODIOV-UHFFFAOYSA-N -1 3 317.142 3.279 20 30 DGEDHM O=C(c1ccc2[nH]ccc2n1)N([O-])CCCCc1ccccc1 ZINC001559033883 1189163666 /nfs/dbraw/zinc/16/36/66/1189163666.db2.gz CPPLBCTXAXVVPD-UHFFFAOYSA-N -1 3 309.369 3.417 20 30 DGEDHM CC1(C)CO[C@@H](CC(=O)N([O-])CCCCc2ccccc2)C1 ZINC001559034424 1189163747 /nfs/dbraw/zinc/16/37/47/1189163747.db2.gz ZILBHRPUPFYYCV-INIZCTEOSA-N -1 3 305.418 3.432 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC001559034677 1189164014 /nfs/dbraw/zinc/16/40/14/1189164014.db2.gz LDHDFNAUSZBYNN-AWEZNQCLSA-N -1 3 322.405 3.099 20 30 DGEDHM CC(=O)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)nc1C ZINC001559037384 1189164904 /nfs/dbraw/zinc/16/49/04/1189164904.db2.gz UTOIYVOWJMTOQV-UHFFFAOYSA-N -1 3 316.332 3.072 20 30 DGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001561564472 1189449127 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C=CCO[N-]C(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001640824888 1194829500 /nfs/dbraw/zinc/82/95/00/1194829500.db2.gz IXRBHLHHPHCJBY-UHFFFAOYSA-N -1 3 311.381 3.432 20 30 DGEDHM C#CCOc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001640953867 1194833746 /nfs/dbraw/zinc/83/37/46/1194833746.db2.gz TZKCLRLHPDIHCJ-UHFFFAOYSA-N -1 3 323.392 3.458 20 30 DGEDHM CCCCCCCC[C@H](C)CC(=O)N[C@H]1CCCN([O-])C1=O ZINC001641521725 1194858632 /nfs/dbraw/zinc/85/86/32/1194858632.db2.gz RTHNYIYTPREQNQ-GJZGRUSLSA-N -1 3 312.454 3.260 20 30 DGEDHM CCCCN([O-])C(=O)CSc1nccn1-c1ccccc1C ZINC001641867568 1194876098 /nfs/dbraw/zinc/87/60/98/1194876098.db2.gz JMXOIJZIQSUOQZ-UHFFFAOYSA-N -1 3 319.430 3.291 20 30 DGEDHM O=C(c1ccncc1C(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC001641877972 1194876540 /nfs/dbraw/zinc/87/65/40/1194876540.db2.gz OAJZQBLTQQXQEP-UHFFFAOYSA-N -1 3 314.238 3.271 20 30 DGEDHM C[C@@H](c1cccc(C#N)c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001648217830 1195284699 /nfs/dbraw/zinc/28/46/99/1195284699.db2.gz 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N#CCCN(Cc1ccccn1)Cc1c([O-])cccc1Cl ZINC000119152705 431654354 /nfs/dbraw/zinc/65/43/54/431654354.db2.gz KBTPOEFFGBNNIV-UHFFFAOYSA-N -1 3 301.777 3.356 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1O ZINC000120272595 431725455 /nfs/dbraw/zinc/72/54/55/431725455.db2.gz BCRSLPJVPLYHID-UHFFFAOYSA-N -1 3 317.410 3.301 20 30 DGEDHM COc1ccc2cc(C([O-])=C(C#N)c3ccccn3)c(C)nc2c1 ZINC000121997687 431808381 /nfs/dbraw/zinc/80/83/81/431808381.db2.gz RJZRWQNEEMIKFM-INIZCTEOSA-N -1 3 317.348 3.437 20 30 DGEDHM C=C(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000122649684 431840108 /nfs/dbraw/zinc/84/01/08/431840108.db2.gz HHFKJEGMLJWNAN-UHFFFAOYSA-N -1 3 313.728 3.213 20 30 DGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(C(C)(C)C)c1 ZINC000123059128 431853420 /nfs/dbraw/zinc/85/34/20/431853420.db2.gz SJSSFLCGKUVEPX-CYBMUJFWSA-N -1 3 321.384 3.015 20 30 DGEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)n(C)c1 ZINC000048852137 431933125 /nfs/dbraw/zinc/93/31/25/431933125.db2.gz DHPHEPUSZMEVND-HNNXBMFYSA-N -1 3 317.348 3.266 20 30 DGEDHM N#CCc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000048813714 431933173 /nfs/dbraw/zinc/93/31/73/431933173.db2.gz OXHSTXNONRRTGG-CQSZACIVSA-N -1 3 300.321 3.119 20 30 DGEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2ccc(F)c(F)c2F)n1 ZINC000153931747 432458153 /nfs/dbraw/zinc/45/81/53/432458153.db2.gz YMXALKSZFOGYMC-UHFFFAOYSA-N -1 3 322.290 3.179 20 30 DGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000272351942 432487508 /nfs/dbraw/zinc/48/75/08/432487508.db2.gz DDZSMXMNLBHRTP-NSHDSACASA-N -1 3 306.840 3.008 20 30 DGEDHM N#CC(=C([O-])c1cccnc1)c1nc2ccccc2n1C(F)F ZINC000193286218 432462980 /nfs/dbraw/zinc/46/29/80/432462980.db2.gz QWVHQTLBJYLZSB-NSHDSACASA-N -1 3 312.279 3.316 20 30 DGEDHM CSc1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000193379965 432470591 /nfs/dbraw/zinc/47/05/91/432470591.db2.gz IKYOWGFKLXNLNL-NSHDSACASA-N -1 3 313.338 3.202 20 30 DGEDHM CCc1cc(=O)[n-]c(CN(CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000176815556 432555573 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C=CCOc1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000189229475 432772467 /nfs/dbraw/zinc/77/24/67/432772467.db2.gz SDDZUDMHZXTKDY-UHFFFAOYSA-N -1 3 320.352 3.289 20 30 DGEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cc([O-])ccc1Cl ZINC000234292445 432740688 /nfs/dbraw/zinc/74/06/88/432740688.db2.gz FSKSYGCHEYQYIX-UHFFFAOYSA-N -1 3 300.745 3.189 20 30 DGEDHM C=CCC1(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)CCC1 ZINC000189621899 432804268 /nfs/dbraw/zinc/80/42/68/432804268.db2.gz KSNMWBFDWYENKR-UHFFFAOYSA-N -1 3 313.357 3.034 20 30 DGEDHM C=CCC1(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)CCC1 ZINC000189621899 432804271 /nfs/dbraw/zinc/80/42/71/432804271.db2.gz KSNMWBFDWYENKR-UHFFFAOYSA-N -1 3 313.357 3.034 20 30 DGEDHM CC1(C)CCCN(C(=O)c2c[n-]c3ccccc3c2=O)[C@H]1C#N ZINC000277525837 432858028 /nfs/dbraw/zinc/85/80/28/432858028.db2.gz OLQRFRGBNXDHAT-HNNXBMFYSA-N -1 3 309.369 3.095 20 30 DGEDHM COc1cc(Cl)c(/N=C/c2c([O-])c(C)ncc2CO)cc1C ZINC000290014905 432983199 /nfs/dbraw/zinc/98/31/99/432983199.db2.gz WLUSLEBYHDBMNQ-FBCYGCLPSA-N 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COc1ccc(NC(=O)C[C@H](CC#N)c2ccccc2)c([O-])c1 ZINC000356967828 433790104 /nfs/dbraw/zinc/79/01/04/433790104.db2.gz HYDMRESPXRZYOZ-AWEZNQCLSA-N -1 3 310.353 3.427 20 30 DGEDHM CC[C@H](C#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436541670 434002168 /nfs/dbraw/zinc/00/21/68/434002168.db2.gz ZAFYXGNCIFAKAD-MRXNPFEDSA-N -1 3 308.381 3.209 20 30 DGEDHM Cc1cc(Cl)cc(NC(=O)CNc2cccc(C#N)c2)c1[O-] ZINC000340330551 434064790 /nfs/dbraw/zinc/06/47/90/434064790.db2.gz YKCDKJYFSGOANK-UHFFFAOYSA-N -1 3 315.760 3.276 20 30 DGEDHM CCOc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(CC)c1 ZINC000436687783 434066572 /nfs/dbraw/zinc/06/65/72/434066572.db2.gz JLDLVQFOUVIXGC-UHFFFAOYSA-N -1 3 310.353 3.477 20 30 DGEDHM Cc1sc([N-]C(=O)c2ncn(-c3ccccc3)n2)c(C#N)c1C ZINC000353061933 434067207 /nfs/dbraw/zinc/06/72/07/434067207.db2.gz JLFVDYLNEHTDQV-UHFFFAOYSA-N -1 3 323.381 3.070 20 30 DGEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000309256143 434094260 /nfs/dbraw/zinc/09/42/60/434094260.db2.gz CJXNWDPHPZAFKM-UHFFFAOYSA-N -1 3 324.265 3.145 20 30 DGEDHM Cc1cccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1[O-] ZINC000436659386 434055746 /nfs/dbraw/zinc/05/57/46/434055746.db2.gz OQPHHVMAQPQUTN-UHFFFAOYSA-N -1 3 307.353 3.399 20 30 DGEDHM COc1cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)ccc1[O-] ZINC000416339399 434107246 /nfs/dbraw/zinc/10/72/46/434107246.db2.gz GVBWAKFVUKPFBV-INIZCTEOSA-N -1 3 322.364 3.080 20 30 DGEDHM CCOc1ccc(F)c([N-]C(=O)c2ccc(C#N)c(C)n2)c1F ZINC000340437834 434131850 /nfs/dbraw/zinc/13/18/50/434131850.db2.gz ZWONLYOCJZOKTR-UHFFFAOYSA-N -1 3 317.295 3.191 20 30 DGEDHM CCCCOc1ccc(C(=O)N2CCC(F)(C#N)CC2)c([O-])c1 ZINC000436835461 434130898 /nfs/dbraw/zinc/13/08/98/434130898.db2.gz DXDHKIJBEYFCJZ-UHFFFAOYSA-N -1 3 320.364 3.039 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC2CCCCC2)cc1 ZINC000416945931 434257162 /nfs/dbraw/zinc/25/71/62/434257162.db2.gz FMVHAHLHHMSICS-INIZCTEOSA-N -1 3 322.430 3.442 20 30 DGEDHM C=CC[C@H](CC)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286528304 434279363 /nfs/dbraw/zinc/27/93/63/434279363.db2.gz YLUVXEBLUQJYDU-ZDUSSCGKSA-N -1 3 322.792 3.165 20 30 DGEDHM C[C@@H](CCOCc1ccccc1)/N=C/c1ccc(O)c([O-])c1O ZINC000287250891 434313623 /nfs/dbraw/zinc/31/36/23/434313623.db2.gz PMLGUZGGIBJGCQ-MDBUFAAASA-N -1 3 315.369 3.218 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2ccsc2Cl)ccc1C#N ZINC000387270790 434317303 /nfs/dbraw/zinc/31/73/03/434317303.db2.gz SXKGTWYLMNGQML-UHFFFAOYSA-N -1 3 312.803 3.382 20 30 DGEDHM N#CCc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1 ZINC000417034015 434278262 /nfs/dbraw/zinc/27/82/62/434278262.db2.gz IPCINQAIQGUGEW-UHFFFAOYSA-N -1 3 314.776 3.391 20 30 DGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000358214984 434384843 /nfs/dbraw/zinc/38/48/43/434384843.db2.gz BPOHIUQYKKTHNS-LBPRGKRZSA-N -1 3 322.817 3.464 20 30 DGEDHM COc1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1C#N ZINC000417569930 434443359 /nfs/dbraw/zinc/44/33/59/434443359.db2.gz VWZXXMIFAIVMBJ-ACJLOTCBSA-N -1 3 324.380 3.118 20 30 DGEDHM C[C@H](C(=O)[O-])[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000417562502 434441004 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/nfs/dbraw/zinc/63/38/02/621633802.db2.gz FCIQHYZMWLSGHL-AWEZNQCLSA-N -1 3 320.389 3.458 20 30 DGEDHM Cc1ncc(CO)c(/C=N\C2CCC(OC(C)(C)C)CC2)c1[O-] ZINC000864346929 621759128 /nfs/dbraw/zinc/75/91/28/621759128.db2.gz HEPABORCXXTWIL-JMIUGGIZSA-N -1 3 320.433 3.133 20 30 DGEDHM C=C[C@H](CCC(=O)[O-])NCc1cccc(F)c1OC(F)(F)F ZINC000864512860 621776148 /nfs/dbraw/zinc/77/61/48/621776148.db2.gz PKTOLBGRQUGEEO-SNVBAGLBSA-N -1 3 321.270 3.233 20 30 DGEDHM C=C(C)C[C@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000864529808 621780334 /nfs/dbraw/zinc/78/03/34/621780334.db2.gz MIVQQCDMSVJOMH-NSHDSACASA-N -1 3 308.428 3.381 20 30 DGEDHM C[C@@H](O)[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1ccccc1F ZINC000866383029 622107323 /nfs/dbraw/zinc/10/73/23/622107323.db2.gz COUOLJYSNFLJTO-JKDFXYPNSA-N -1 3 314.360 3.176 20 30 DGEDHM COc1cc(C(=O)/C=C/c2scnc2C)c(OC)cc1[O-] ZINC000763106866 622123603 /nfs/dbraw/zinc/12/36/03/622123603.db2.gz RIWZUQQJXFTLHF-SNAWJCMRSA-N -1 3 305.355 3.070 20 30 DGEDHM COc1ccsc1/C=C\C(=O)c1cc(OC)c([O-])cc1OC ZINC000764442886 622194377 /nfs/dbraw/zinc/19/43/77/622194377.db2.gz ROKDIAJOQCXNAE-PLNGDYQASA-N -1 3 320.366 3.376 20 30 DGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)c(F)c1 ZINC000765782095 622286761 /nfs/dbraw/zinc/28/67/61/622286761.db2.gz IOOMBJHWDCPEPR-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)C(C)(C)C ZINC000869335861 622344969 /nfs/dbraw/zinc/34/49/69/622344969.db2.gz RRKIYUJHAMAHEP-NSHDSACASA-N -1 3 318.417 3.434 20 30 DGEDHM COc1cc(C=NNc2cccc(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000767030138 622370467 /nfs/dbraw/zinc/37/04/67/622370467.db2.gz QQHZXAQWZKSMJN-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM COc1cc(C=NNc2cc(C)ccc2C)c([N+](=O)[O-])cc1[O-] ZINC000767130980 622377204 /nfs/dbraw/zinc/37/72/04/622377204.db2.gz OHTJJUBCEBMYMC-UHFFFAOYSA-N -1 3 315.329 3.372 20 30 DGEDHM Cc1oc2ccccc2c1C/N=C/c1c([O-])c(C)ncc1CO ZINC000767335825 622390955 /nfs/dbraw/zinc/39/09/55/622390955.db2.gz BAZVGFDCOGJENJ-DJKKODMXSA-N -1 3 310.353 3.262 20 30 DGEDHM C#C[C@@H](C)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000769655670 622547586 /nfs/dbraw/zinc/54/75/86/622547586.db2.gz FPBVFCYUKUVRKK-OAHLLOKOSA-N -1 3 307.393 3.271 20 30 DGEDHM C[C@@H]1C[C@@H](C/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000770566836 622646458 /nfs/dbraw/zinc/64/64/58/622646458.db2.gz ADJZMJDVVMOGGU-BWQAPMFPSA-N -1 3 312.207 3.389 20 30 DGEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000771580219 622777211 /nfs/dbraw/zinc/77/72/11/622777211.db2.gz YBNDQECTXTXRGT-XRVBUDJMSA-N -1 3 312.753 3.003 20 30 DGEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000771580218 622777306 /nfs/dbraw/zinc/77/73/06/622777306.db2.gz YBNDQECTXTXRGT-XNPJLODASA-N -1 3 312.753 3.003 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC2(Cc3ccccc3)CC2)c1[O-] ZINC000771835779 622801664 /nfs/dbraw/zinc/80/16/64/622801664.db2.gz FIXBCJKQLRWTCL-RGVLZGJSSA-N -1 3 310.397 3.030 20 30 DGEDHM C#CCCCCC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000773786607 623072964 /nfs/dbraw/zinc/07/29/64/623072964.db2.gz KBWPDWWWMJCDFZ-UHFFFAOYSA-N -1 3 310.353 3.257 20 30 DGEDHM N#Cc1ccc(F)c(COC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775933086 623352345 /nfs/dbraw/zinc/35/23/45/623352345.db2.gz GDDTTZUJTIMGJD-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM N#CCOc1ccc(COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775934322 623353839 /nfs/dbraw/zinc/35/38/39/623353839.db2.gz VMXPLKAGDZGWCF-UHFFFAOYSA-N -1 3 317.728 3.305 20 30 DGEDHM Cc1nc2cc(N=Cc3c([O-])c(C)ncc3CO)ccc2s1 ZINC000781101514 624022898 /nfs/dbraw/zinc/02/28/98/624022898.db2.gz USMLTIMDKFBXBN-UHFFFAOYSA-N -1 3 313.382 3.257 20 30 DGEDHM COc1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1Cl ZINC000788317613 625123416 /nfs/dbraw/zinc/12/34/16/625123416.db2.gz IMNGKGIRVIZEJZ-UHFFFAOYSA-N -1 3 306.749 3.001 20 30 DGEDHM CC(=NN[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000788469064 625188267 /nfs/dbraw/zinc/18/82/67/625188267.db2.gz MYLKNVZOOJGRDM-HNNXBMFYSA-N -1 3 304.777 3.093 20 30 DGEDHM N#CCC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000130610246 625880187 /nfs/dbraw/zinc/88/01/87/625880187.db2.gz WDQMRUOCUNCEMZ-INIZCTEOSA-N -1 3 311.341 3.435 20 30 DGEDHM C=C(Br)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792090835 625909220 /nfs/dbraw/zinc/90/92/20/625909220.db2.gz DJSYSQFMIBOKRQ-UHFFFAOYSA-N -1 3 306.159 3.184 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cccc(Cl)c2)c1[O-] ZINC000792571491 625959846 /nfs/dbraw/zinc/95/98/46/625959846.db2.gz XKLCCKUPTVBGTE-AFWYBORESA-N -1 3 304.777 3.421 20 30 DGEDHM COc1ccccc1CO[N-]C(=O)C[C@H](CC#N)c1ccccc1 ZINC000799095335 626271075 /nfs/dbraw/zinc/27/10/75/626271075.db2.gz JCYRUSGFNDUKFQ-INIZCTEOSA-N -1 3 324.380 3.331 20 30 DGEDHM COC(=O)c1c(F)cccc1NN=C(C)c1cc(F)ccc1[O-] ZINC000800818507 626377111 /nfs/dbraw/zinc/37/71/11/626377111.db2.gz BITQVIYAHLKUPR-UHFFFAOYSA-N -1 3 320.295 3.293 20 30 DGEDHM C[C@@H](C#N)OCCSc1nnc([N-]c2ccccc2F)s1 ZINC000801653405 626413300 /nfs/dbraw/zinc/41/33/00/626413300.db2.gz FISFHUQMQBFKIV-VIFPVBQESA-N -1 3 324.406 3.442 20 30 DGEDHM COc1cccc2c(C(=O)OCc3ccc(C#N)cc3C)n[n-]c21 ZINC000808674556 626848022 /nfs/dbraw/zinc/84/80/22/626848022.db2.gz JMSRNDIXVGIRGC-UHFFFAOYSA-N -1 3 321.336 3.109 20 30 DGEDHM COc1cccc2c(C(=O)OCc3ccc(C#N)cc3C)[n-]nc21 ZINC000808674556 626848026 /nfs/dbraw/zinc/84/80/26/626848026.db2.gz JMSRNDIXVGIRGC-UHFFFAOYSA-N -1 3 321.336 3.109 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2ccc(C3CC3)c(C#N)c2)c1[O-] ZINC000887270133 627239653 /nfs/dbraw/zinc/23/96/53/627239653.db2.gz IFNSELYZUVPNJU-UHFFFAOYSA-N -1 3 307.353 3.088 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2ccc3sccc3c2)c1[O-] ZINC000811624547 627296402 /nfs/dbraw/zinc/29/64/02/627296402.db2.gz IKTOMIKCDBZBEF-NVMNQCDNSA-N -1 3 312.394 3.422 20 30 DGEDHM CC(=NN[C@H](C)COc1ccccc1)c1ccc([O-])cc1F ZINC000811666821 627303803 /nfs/dbraw/zinc/30/38/03/627303803.db2.gz KSKRMKKPMDYJCH-GFCCVEGCSA-N -1 3 302.349 3.312 20 30 DGEDHM O=[N+]([O-])c1ccc(NCC/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000005261816 627559470 /nfs/dbraw/zinc/55/94/70/627559470.db2.gz QVZCXLCHERDJBN-LICLKQGHSA-N -1 3 319.748 3.485 20 30 DGEDHM O=c1c2ccccc2ncn1N=Cc1ccc2ccccc2c1[O-] ZINC000814767901 627589896 /nfs/dbraw/zinc/58/98/96/627589896.db2.gz ZOEZETNTYYMGIS-UHFFFAOYSA-N -1 3 315.332 3.138 20 30 DGEDHM O=c1[nH]ncc(NN=Cc2ccc3ccccc3c2[O-])c1Cl ZINC000814782646 627590823 /nfs/dbraw/zinc/59/08/23/627590823.db2.gz NEYSFWSZKUJAEY-UHFFFAOYSA-N -1 3 314.732 3.140 20 30 DGEDHM CC[C@H](NCc1cn2c(n1)CCCC2)c1cccc(C#N)c1[O-] ZINC000924914691 627693555 /nfs/dbraw/zinc/69/35/55/627693555.db2.gz ZIFVJFBEGUBXAB-INIZCTEOSA-N -1 3 310.401 3.038 20 30 DGEDHM c1ccc2c(c1)CCC[C@H]2CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000819719099 628183336 /nfs/dbraw/zinc/18/33/36/628183336.db2.gz ZJVXHZPZKPIQGZ-HNNXBMFYSA-N -1 3 318.384 3.385 20 30 DGEDHM c1ccc2c(c1)CCC[C@H]2CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000819719099 628183337 /nfs/dbraw/zinc/18/33/37/628183337.db2.gz ZJVXHZPZKPIQGZ-HNNXBMFYSA-N -1 3 318.384 3.385 20 30 DGEDHM CCCCCC[C@@H](C)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821049008 628331593 /nfs/dbraw/zinc/33/15/93/628331593.db2.gz IVMAJOISQYNITE-GFCCVEGCSA-N -1 3 318.400 3.288 20 30 DGEDHM CCCCCC[C@@H](C)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821049008 628331597 /nfs/dbraw/zinc/33/15/97/628331597.db2.gz IVMAJOISQYNITE-GFCCVEGCSA-N -1 3 318.400 3.288 20 30 DGEDHM COc1ccc(C#N)cc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821770474 628396076 /nfs/dbraw/zinc/39/60/76/628396076.db2.gz VAQQSXCMTAZMMB-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(C#N)cc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821770474 628396078 /nfs/dbraw/zinc/39/60/78/628396078.db2.gz VAQQSXCMTAZMMB-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)O2 ZINC000822213145 628429877 /nfs/dbraw/zinc/42/98/77/628429877.db2.gz WNIWMHHGQZXKGB-QPEQYQDCSA-N -1 3 324.365 3.161 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000822275346 628435516 /nfs/dbraw/zinc/43/55/16/628435516.db2.gz RELRJEMNYLIYMF-ZSOIEALJSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000822275346 628435519 /nfs/dbraw/zinc/43/55/19/628435519.db2.gz RELRJEMNYLIYMF-ZSOIEALJSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccsc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822378594 628445748 /nfs/dbraw/zinc/44/57/48/628445748.db2.gz BVURSVMSIJTDLM-FMIVXFBMSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccsc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822378594 628445749 /nfs/dbraw/zinc/44/57/49/628445749.db2.gz BVURSVMSIJTDLM-FMIVXFBMSA-N -1 3 322.393 3.449 20 30 DGEDHM Fc1cc(NN=Cc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000822753102 628489645 /nfs/dbraw/zinc/48/96/45/628489645.db2.gz DFZCBHMGAVPDEF-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cc(NN=Cc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000822753102 628489649 /nfs/dbraw/zinc/48/96/49/628489649.db2.gz DFZCBHMGAVPDEF-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc(F)cc(F)c1 ZINC000822923417 628509380 /nfs/dbraw/zinc/50/93/80/628509380.db2.gz RFJPTMXRUZVCFM-IWQZZHSRSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)c(F)c1 ZINC000822924114 628510041 /nfs/dbraw/zinc/51/00/41/628510041.db2.gz XRHSBVQLCGGWIF-RQOWECAXSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)c(F)c1 ZINC000822924114 628510044 /nfs/dbraw/zinc/51/00/44/628510044.db2.gz XRHSBVQLCGGWIF-RQOWECAXSA-N -1 3 318.308 3.103 20 30 DGEDHM C#CC(C)(C)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000823325152 628549818 /nfs/dbraw/zinc/54/98/18/628549818.db2.gz WYSIUERYFSAHFG-UHFFFAOYSA-N -1 3 316.145 3.069 20 30 DGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(F)cc1 ZINC000823505163 628570138 /nfs/dbraw/zinc/57/01/38/628570138.db2.gz YJCOMCNDMUFZRG-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(F)cc1 ZINC000823505163 628570139 /nfs/dbraw/zinc/57/01/39/628570139.db2.gz YJCOMCNDMUFZRG-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823883553 628606992 /nfs/dbraw/zinc/60/69/92/628606992.db2.gz TXXSOVNVQUNRRH-ZDUSSCGKSA-N -1 3 319.368 3.165 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883553 628606993 /nfs/dbraw/zinc/60/69/93/628606993.db2.gz TXXSOVNVQUNRRH-ZDUSSCGKSA-N -1 3 319.368 3.165 20 30 DGEDHM C=CCCC[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823894452 628607696 /nfs/dbraw/zinc/60/76/96/628607696.db2.gz QLJINKLPDXWPRY-XZHRJIJLSA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCCC[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823894452 628607700 /nfs/dbraw/zinc/60/77/00/628607700.db2.gz QLJINKLPDXWPRY-XZHRJIJLSA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCCC[C@@H](C)Sc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000823894227 628608127 /nfs/dbraw/zinc/60/81/27/628608127.db2.gz LCDZLZAIZDOIAQ-SECBINFHSA-N -1 3 304.423 3.110 20 30 DGEDHM C=CCCC[C@@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000823894227 628608128 /nfs/dbraw/zinc/60/81/28/628608128.db2.gz LCDZLZAIZDOIAQ-SECBINFHSA-N -1 3 304.423 3.110 20 30 DGEDHM C=CCN(Cc1ccccc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823919724 628610245 /nfs/dbraw/zinc/61/02/45/628610245.db2.gz OLCZTNJFYNMIKM-UHFFFAOYSA-N -1 3 323.375 3.194 20 30 DGEDHM C=CCN(Cc1ccccc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000823919724 628610248 /nfs/dbraw/zinc/61/02/48/628610248.db2.gz OLCZTNJFYNMIKM-UHFFFAOYSA-N -1 3 323.375 3.194 20 30 DGEDHM C=CCSCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823937452 628611002 /nfs/dbraw/zinc/61/10/02/628611002.db2.gz YIBJSGXXMNAPFF-UHFFFAOYSA-N -1 3 311.208 3.048 20 30 DGEDHM C=CCSCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823937452 628611005 /nfs/dbraw/zinc/61/10/05/628611005.db2.gz YIBJSGXXMNAPFF-UHFFFAOYSA-N -1 3 311.208 3.048 20 30 DGEDHM CC(=NN[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953927 628612966 /nfs/dbraw/zinc/61/29/66/628612966.db2.gz VYBCCXLQLVTYPH-LLVKDONJSA-N -1 3 324.363 3.081 20 30 DGEDHM CC(=NN[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953927 628612968 /nfs/dbraw/zinc/61/29/68/628612968.db2.gz VYBCCXLQLVTYPH-LLVKDONJSA-N -1 3 324.363 3.081 20 30 DGEDHM C=C(C)CO[N-]C(=O)C1(CCCOCc2ccccc2)CC1 ZINC000824028478 628619975 /nfs/dbraw/zinc/61/99/75/628619975.db2.gz JUDLXXUJABONKM-UHFFFAOYSA-N -1 3 303.402 3.388 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)C1(CCCOCc2ccccc2)CC1 ZINC000824033121 628620475 /nfs/dbraw/zinc/62/04/75/628620475.db2.gz CKOANWHTWKJDMZ-HNNXBMFYSA-N -1 3 303.402 3.386 20 30 DGEDHM C[C@H]1CCCC[C@H]1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824936982 628709018 /nfs/dbraw/zinc/70/90/18/628709018.db2.gz NVRHNFJRSNLGKD-UWVGGRQHSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CCCC[C@H]1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824936982 628709020 /nfs/dbraw/zinc/70/90/20/628709020.db2.gz NVRHNFJRSNLGKD-UWVGGRQHSA-N -1 3 319.800 3.139 20 30 DGEDHM CCC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000825028123 628717792 /nfs/dbraw/zinc/71/77/92/628717792.db2.gz DXWNGRZIWOXHOI-UHFFFAOYSA-N -1 3 310.336 3.232 20 30 DGEDHM CCC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000825028123 628717794 /nfs/dbraw/zinc/71/77/94/628717794.db2.gz DXWNGRZIWOXHOI-UHFFFAOYSA-N -1 3 310.336 3.232 20 30 DGEDHM CC[C@@H]1CCC[C@@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825195373 628737191 /nfs/dbraw/zinc/73/71/91/628737191.db2.gz WTRYNXVURXIYIF-UKRRQHHQSA-N -1 3 312.421 3.159 20 30 DGEDHM CC[C@@H]1CCC[C@@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825195373 628737194 /nfs/dbraw/zinc/73/71/94/628737194.db2.gz WTRYNXVURXIYIF-UKRRQHHQSA-N -1 3 312.421 3.159 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000825703970 628787812 /nfs/dbraw/zinc/78/78/12/628787812.db2.gz ARPMXOXNRZOEQE-QPJJXVBHSA-N -1 3 312.304 3.057 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000825703970 628787816 /nfs/dbraw/zinc/78/78/16/628787816.db2.gz ARPMXOXNRZOEQE-QPJJXVBHSA-N -1 3 312.304 3.057 20 30 DGEDHM COc1cc(C)ccc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826178111 628831171 /nfs/dbraw/zinc/83/11/71/628831171.db2.gz KDHJOIDQAYLBIL-NTMALXAHSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C)ccc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826178111 628831173 /nfs/dbraw/zinc/83/11/73/628831173.db2.gz KDHJOIDQAYLBIL-NTMALXAHSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(CSc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000826207860 628832542 /nfs/dbraw/zinc/83/25/42/628832542.db2.gz HWOPGNQCWHBOBT-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(CSc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000826207860 628832548 /nfs/dbraw/zinc/83/25/48/628832548.db2.gz HWOPGNQCWHBOBT-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826208010 628832822 /nfs/dbraw/zinc/83/28/22/628832822.db2.gz OTCGCDXZYCVYQY-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826208010 628832823 /nfs/dbraw/zinc/83/28/23/628832823.db2.gz OTCGCDXZYCVYQY-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000826294680 628841253 /nfs/dbraw/zinc/84/12/53/628841253.db2.gz YPZSTCXPRUDHAW-RVDMUPIBSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000826294680 628841257 /nfs/dbraw/zinc/84/12/57/628841257.db2.gz YPZSTCXPRUDHAW-RVDMUPIBSA-N -1 3 316.364 3.388 20 30 DGEDHM N#CCC[C@H](C#N)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826381308 628849983 /nfs/dbraw/zinc/84/99/83/628849983.db2.gz GTFIKDHNJFTLBK-SECBINFHSA-N -1 3 318.793 3.056 20 30 DGEDHM N#CCC[C@H](C#N)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826381308 628849985 /nfs/dbraw/zinc/84/99/85/628849985.db2.gz GTFIKDHNJFTLBK-SECBINFHSA-N -1 3 318.793 3.056 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826399756 628851573 /nfs/dbraw/zinc/85/15/73/628851573.db2.gz FHNWBBBVUCVADN-SNAWJCMRSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826399756 628851575 /nfs/dbraw/zinc/85/15/75/628851575.db2.gz FHNWBBBVUCVADN-SNAWJCMRSA-N -1 3 312.279 3.041 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)C1CCCCC1 ZINC000829654463 629179305 /nfs/dbraw/zinc/17/93/05/629179305.db2.gz CIEMMPAXOFVDHI-AWEZNQCLSA-N -1 3 322.355 3.376 20 30 DGEDHM Cc1csc(C(C#N)C(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000830655739 629292996 /nfs/dbraw/zinc/29/29/96/629292996.db2.gz WCVYJGDDDMEKDC-LLVKDONJSA-N -1 3 315.354 3.340 20 30 DGEDHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832225948 629452647 /nfs/dbraw/zinc/45/26/47/629452647.db2.gz FBNUAIHDGVQQTM-SJCJKPOMSA-N -1 3 310.353 3.043 20 30 DGEDHM N#CC(C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc2ccccc2n1 ZINC000833062446 629553839 /nfs/dbraw/zinc/55/38/39/629553839.db2.gz BRRMDVKROYLEBV-KFWWJZLASA-N -1 3 322.364 3.302 20 30 DGEDHM C[C@H](Oc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000833536723 629616887 /nfs/dbraw/zinc/61/68/87/629616887.db2.gz DKOIOPYPHXOOEX-AWEZNQCLSA-N -1 3 324.380 3.042 20 30 DGEDHM CC[C@](NCc1ccc(C#N)cc1OC)(C(=O)[O-])c1ccccc1 ZINC000833645066 629635059 /nfs/dbraw/zinc/63/50/59/629635059.db2.gz TYSQDVRPKMDHAM-LJQANCHMSA-N -1 3 324.380 3.047 20 30 DGEDHM C#C[C@H](CC)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000834381192 629702447 /nfs/dbraw/zinc/70/24/47/629702447.db2.gz JBIJWPHYHVYODE-LLVKDONJSA-N -1 3 316.145 3.069 20 30 DGEDHM CC(C)(O)C(C)(C)C/N=C/c1cc(Br)ccc1[O-] ZINC000840711420 630350624 /nfs/dbraw/zinc/35/06/24/630350624.db2.gz XERYCAQMIFXCNG-LZYBPNLTSA-N -1 3 314.223 3.371 20 30 DGEDHM C#CC[C@H]1CCCN(C(=O)c2ccc(OCCCC)cc2[O-])C1 ZINC000844005083 630706327 /nfs/dbraw/zinc/70/63/27/630706327.db2.gz IIHAGLNABUGTCU-HNNXBMFYSA-N -1 3 315.413 3.447 20 30 DGEDHM CC(F)(F)CCC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845836672 631198490 /nfs/dbraw/zinc/19/84/90/631198490.db2.gz BMCQBUIMAIDERC-ZDUSSCGKSA-N -1 3 305.324 3.432 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1CCC(F)(F)C1 ZINC000845845228 631198875 /nfs/dbraw/zinc/19/88/75/631198875.db2.gz MWPMLMBEWXTEKQ-TZMCWYRMSA-N -1 3 317.335 3.432 20 30 DGEDHM N#CC1(CNCc2cccc(Br)c2[O-])CCCC1 ZINC000846010301 631205813 /nfs/dbraw/zinc/20/58/13/631205813.db2.gz JHYJHGGTCCVPFG-UHFFFAOYSA-N -1 3 309.207 3.328 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1ccc(Br)c(C)c1 ZINC000846536791 631256310 /nfs/dbraw/zinc/25/63/10/631256310.db2.gz AJJNARZPGNCNNV-UHFFFAOYSA-N -1 3 312.207 3.314 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1ccc(OCCC)cc1 ZINC000846542333 631256821 /nfs/dbraw/zinc/25/68/21/631256821.db2.gz ZPCSUFPARHFYDO-CYBMUJFWSA-N -1 3 305.374 3.061 20 30 DGEDHM CCc1c(C)sc([N-]C(=O)c2cc(OC)cnc2F)c1C#N ZINC000846858460 631330643 /nfs/dbraw/zinc/33/06/43/631330643.db2.gz FMZDXHUASBCEEN-UHFFFAOYSA-N -1 3 319.361 3.286 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C1CCCC1 ZINC000847799979 631540232 /nfs/dbraw/zinc/54/02/32/631540232.db2.gz KZWNHFSZPPIKPV-CYBMUJFWSA-N -1 3 316.401 3.330 20 30 DGEDHM O=C(C=Cc1c(F)ccc([O-])c1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000794937907 661115184 /nfs/dbraw/zinc/11/51/84/661115184.db2.gz MOBMYSNJRCTFLO-GORDUTHDSA-N -1 3 316.263 3.148 20 30 DGEDHM CN(C)c1ccccc1CNN=Cc1c([O-])cccc1Cl ZINC000794958041 661116775 /nfs/dbraw/zinc/11/67/75/661116775.db2.gz UUPKMASUSYRYQW-UHFFFAOYSA-N -1 3 303.793 3.235 20 30 DGEDHM CC(=NNCc1ccccc1N(C)C)c1ccc([O-])c(F)c1 ZINC000794957130 661116829 /nfs/dbraw/zinc/11/68/29/661116829.db2.gz OESTZBISUDWEFS-UHFFFAOYSA-N -1 3 301.365 3.111 20 30 DGEDHM Cc1cccnc1C/N=C\c1cc(Br)ccc1[O-] ZINC000255536715 655792843 /nfs/dbraw/zinc/79/28/43/655792843.db2.gz XCBGPUBFKMRPOE-PXNMLYILSA-N -1 3 305.175 3.477 20 30 DGEDHM CON=Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000255778340 655906763 /nfs/dbraw/zinc/90/67/63/655906763.db2.gz YMHHBQPDHRQEDT-UHFFFAOYSA-N -1 3 304.733 3.278 20 30 DGEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000127550401 658160385 /nfs/dbraw/zinc/16/03/85/658160385.db2.gz MEBRVMHVBLIJPM-CYBMUJFWSA-N -1 3 313.382 3.030 20 30 DGEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)ccc1[O-] ZINC000054702085 658888086 /nfs/dbraw/zinc/88/80/86/658888086.db2.gz QAISUMVRKRVOCT-MRXNPFEDSA-N -1 3 312.756 3.245 20 30 DGEDHM C[C@@H](CN(C)Cc1cc(C#N)cs1)C(=O)c1ccc([O-])cc1 ZINC000933771602 661657041 /nfs/dbraw/zinc/65/70/41/661657041.db2.gz YRBCPUGVVKBDLU-LBPRGKRZSA-N -1 3 314.410 3.276 20 30 DGEDHM CC(C)c1nn(C)c(Cl)c1C([O-])=C(C#N)c1ccccn1 ZINC000076823931 662001052 /nfs/dbraw/zinc/00/10/52/662001052.db2.gz DCUKYBPTNWSLLQ-JTQLQIEISA-N -1 3 302.765 3.082 20 30 DGEDHM N#CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000194193432 662160005 /nfs/dbraw/zinc/16/00/05/662160005.db2.gz DLKPEJWUHOWDHX-UHFFFAOYSA-N -1 3 302.717 3.200 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000398124262 685235757 /nfs/dbraw/zinc/23/57/57/685235757.db2.gz HZSAZFDCJJWSMT-VIFPVBQESA-N -1 3 323.245 3.412 20 30 DGEDHM C#CCO[N-]C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 ZINC001584290499 1192187859 /nfs/dbraw/zinc/18/78/59/1192187859.db2.gz CGMWBMMSBBAPBA-CSKARUKUSA-N -1 3 301.342 3.248 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588406576 1192446275 /nfs/dbraw/zinc/44/62/75/1192446275.db2.gz WVERMWZYDQOFSJ-SNVBAGLBSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588406576 1192446278 /nfs/dbraw/zinc/44/62/78/1192446278.db2.gz WVERMWZYDQOFSJ-SNVBAGLBSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588405271 1192446907 /nfs/dbraw/zinc/44/69/07/1192446907.db2.gz NHRPGZHHJJGHRC-NEPJUHHUSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588405271 1192446910 /nfs/dbraw/zinc/44/69/10/1192446910.db2.gz NHRPGZHHJJGHRC-NEPJUHHUSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCSCc1cc(-c2nnn[n-]2)ccc1Br ZINC001588694346 1192452567 /nfs/dbraw/zinc/45/25/67/1192452567.db2.gz IOVLNPAVSVIKFH-UHFFFAOYSA-N -1 3 311.208 3.048 20 30 DGEDHM C=CCSCc1cc(-c2nn[n-]n2)ccc1Br ZINC001588694346 1192452568 /nfs/dbraw/zinc/45/25/68/1192452568.db2.gz IOVLNPAVSVIKFH-UHFFFAOYSA-N -1 3 311.208 3.048 20 30 DGEDHM C=CCCC(=O)CSc1cccc(-c2nnn[n-]2)c1Cl ZINC001588564566 1192449942 /nfs/dbraw/zinc/44/99/42/1192449942.db2.gz OJMDQHZAERENDN-UHFFFAOYSA-N -1 3 308.794 3.148 20 30 DGEDHM C=CCCC(=O)CSc1cccc(-c2nn[n-]n2)c1Cl ZINC001588564566 1192449945 /nfs/dbraw/zinc/44/99/45/1192449945.db2.gz OJMDQHZAERENDN-UHFFFAOYSA-N -1 3 308.794 3.148 20 30 DGEDHM C=CCCCCCN(C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588594195 1192451609 /nfs/dbraw/zinc/45/16/09/1192451609.db2.gz PPGRQKQGKBAMRH-UHFFFAOYSA-N -1 3 320.422 3.138 20 30 DGEDHM C=CCCCCCN(C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588594195 1192451612 /nfs/dbraw/zinc/45/16/12/1192451612.db2.gz PPGRQKQGKBAMRH-UHFFFAOYSA-N -1 3 320.422 3.138 20 30 DGEDHM C=CCCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588596005 1192451928 /nfs/dbraw/zinc/45/19/28/1192451928.db2.gz DQCPCHDTWWQAHX-UHFFFAOYSA-N -1 3 314.393 3.043 20 30 DGEDHM C=CCCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588596005 1192451929 /nfs/dbraw/zinc/45/19/29/1192451929.db2.gz DQCPCHDTWWQAHX-UHFFFAOYSA-N -1 3 314.393 3.043 20 30 DGEDHM CC(=NNc1ccccc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588780559 1192453989 /nfs/dbraw/zinc/45/39/89/1192453989.db2.gz FGIIQJOZSYMVHO-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(=NNc1ccccc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588780559 1192453992 /nfs/dbraw/zinc/45/39/92/1192453992.db2.gz FGIIQJOZSYMVHO-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM C[C@@H](Nc1cccc(F)c1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589985072 1192481400 /nfs/dbraw/zinc/48/14/00/1192481400.db2.gz CEQYVOYWFSLRGJ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1cccc(F)c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589985072 1192481402 /nfs/dbraw/zinc/48/14/02/1192481402.db2.gz CEQYVOYWFSLRGJ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC001590024026 1192482258 /nfs/dbraw/zinc/48/22/58/1192482258.db2.gz UTIKYPJTGAGNRV-SNVBAGLBSA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC001590024026 1192482261 /nfs/dbraw/zinc/48/22/61/1192482261.db2.gz UTIKYPJTGAGNRV-SNVBAGLBSA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590161787 1192490839 /nfs/dbraw/zinc/49/08/39/1192490839.db2.gz ICMGBFYGVDCVGX-DOQDJBIESA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590161787 1192490842 /nfs/dbraw/zinc/49/08/42/1192490842.db2.gz ICMGBFYGVDCVGX-DOQDJBIESA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@@H]1CCC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC001590219271 1192494181 /nfs/dbraw/zinc/49/41/81/1192494181.db2.gz QFQVMACAILZQIX-MRVPVSSYSA-N -1 3 324.310 3.473 20 30 DGEDHM C[C@@H]1CCC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001590219271 1192494184 /nfs/dbraw/zinc/49/41/84/1192494184.db2.gz QFQVMACAILZQIX-MRVPVSSYSA-N -1 3 324.310 3.473 20 30 DGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@H]1CC1(C)C ZINC001590359440 1192501920 /nfs/dbraw/zinc/50/19/20/1192501920.db2.gz ZXXKQCGNBYWLMJ-SECBINFHSA-N -1 3 319.800 3.139 20 30 DGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@H]1CC1(C)C ZINC001590359440 1192501924 /nfs/dbraw/zinc/50/19/24/1192501924.db2.gz ZXXKQCGNBYWLMJ-SECBINFHSA-N -1 3 319.800 3.139 20 30 DGEDHM CC[C@@H](C#N)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC001590368087 1192503826 /nfs/dbraw/zinc/50/38/26/1192503826.db2.gz UUZDXKZQKFWBKX-LBPRGKRZSA-N -1 3 322.397 3.323 20 30 DGEDHM CC[C@@H](C#N)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC001590368087 1192503828 /nfs/dbraw/zinc/50/38/28/1192503828.db2.gz UUZDXKZQKFWBKX-LBPRGKRZSA-N -1 3 322.397 3.323 20 30 DGEDHM CCC(CC)CCCN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001590433709 1192507313 /nfs/dbraw/zinc/50/73/13/1192507313.db2.gz JKFPPLRSYPTDBT-UHFFFAOYSA-N -1 3 312.421 3.391 20 30 DGEDHM CCC(CC)CCCN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001590433709 1192507314 /nfs/dbraw/zinc/50/73/14/1192507314.db2.gz JKFPPLRSYPTDBT-UHFFFAOYSA-N -1 3 312.421 3.391 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001591706985 1192571087 /nfs/dbraw/zinc/57/10/87/1192571087.db2.gz OMISQXVLHVOCDL-WCIBSUBMSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591706985 1192571090 /nfs/dbraw/zinc/57/10/90/1192571090.db2.gz OMISQXVLHVOCDL-WCIBSUBMSA-N -1 3 322.393 3.485 20 30 DGEDHM Cc1cc(C)c(NN=Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC001591949832 1192581885 /nfs/dbraw/zinc/58/18/85/1192581885.db2.gz VOFWBULXWYKWLT-UHFFFAOYSA-N -1 3 306.373 3.238 20 30 DGEDHM Cc1cc(C)c(NN=Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC001591949832 1192581887 /nfs/dbraw/zinc/58/18/87/1192581887.db2.gz VOFWBULXWYKWLT-UHFFFAOYSA-N -1 3 306.373 3.238 20 30 DGEDHM Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001592184679 1192599399 /nfs/dbraw/zinc/59/93/99/1192599399.db2.gz BKIKHOBARKPEFI-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001592184679 1192599403 /nfs/dbraw/zinc/59/94/03/1192599403.db2.gz BKIKHOBARKPEFI-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM Cc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC001592185128 1192600183 /nfs/dbraw/zinc/60/01/83/1192600183.db2.gz JPSPMNIVJDZXIW-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM Cc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC001592185128 1192600186 /nfs/dbraw/zinc/60/01/86/1192600186.db2.gz JPSPMNIVJDZXIW-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM Cc1ccc(SCCc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1 ZINC001592198717 1192600967 /nfs/dbraw/zinc/60/09/67/1192600967.db2.gz UZALDWRVBLTMTG-UHFFFAOYSA-N -1 3 321.409 3.382 20 30 DGEDHM Cc1ccc(SCCc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1 ZINC001592198717 1192600968 /nfs/dbraw/zinc/60/09/68/1192600968.db2.gz UZALDWRVBLTMTG-UHFFFAOYSA-N -1 3 321.409 3.382 20 30 DGEDHM N#Cc1ccc(Oc2c(C#N)cccc2-c2nnn[n-]2)c(Cl)c1 ZINC001592696494 1192626187 /nfs/dbraw/zinc/62/61/87/1192626187.db2.gz LMJYATMLCIJZCI-UHFFFAOYSA-N -1 3 322.715 3.056 20 30 DGEDHM N#Cc1ccc(Oc2c(C#N)cccc2-c2nn[n-]n2)c(Cl)c1 ZINC001592696494 1192626189 /nfs/dbraw/zinc/62/61/89/1192626189.db2.gz LMJYATMLCIJZCI-UHFFFAOYSA-N -1 3 322.715 3.056 20 30 DGEDHM N#CC1(CCCCOc2cc(F)cc(-c3nnn[n-]3)c2)CCC1 ZINC001592668532 1192626351 /nfs/dbraw/zinc/62/63/51/1192626351.db2.gz MEBJAQFLSFOTIH-UHFFFAOYSA-N -1 3 315.352 3.249 20 30 DGEDHM N#CC1(CCCCOc2cc(F)cc(-c3nn[n-]n3)c2)CCC1 ZINC001592668532 1192626353 /nfs/dbraw/zinc/62/63/53/1192626353.db2.gz MEBJAQFLSFOTIH-UHFFFAOYSA-N -1 3 315.352 3.249 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H](C2CCC2)CC1 ZINC001592698861 1192626432 /nfs/dbraw/zinc/62/64/32/1192626432.db2.gz KVCSRIUMEXSKDG-AWEZNQCLSA-N -1 3 322.416 3.145 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H](C2CCC2)CC1 ZINC001592698861 1192626433 /nfs/dbraw/zinc/62/64/33/1192626433.db2.gz KVCSRIUMEXSKDG-AWEZNQCLSA-N -1 3 322.416 3.145 20 30 DGEDHM N#Cc1cc(NCc2csc(-c3nnn[n-]3)c2)ccc1C1CC1 ZINC001592689830 1192626554 /nfs/dbraw/zinc/62/65/54/1192626554.db2.gz DAPXRTCROHRTEX-UHFFFAOYSA-N -1 3 322.397 3.289 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCCc2sccc21 ZINC001592698438 1192626690 /nfs/dbraw/zinc/62/66/90/1192626690.db2.gz AZLKGMAKZWTMJC-CYBMUJFWSA-N -1 3 322.397 3.289 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCCc2sccc21 ZINC001592698438 1192626693 /nfs/dbraw/zinc/62/66/93/1192626693.db2.gz AZLKGMAKZWTMJC-CYBMUJFWSA-N -1 3 322.397 3.289 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(Cl)c(F)c1 ZINC001592700690 1192627144 /nfs/dbraw/zinc/62/71/44/1192627144.db2.gz PSFFYBRZZKFNFR-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(Cl)c(F)c1 ZINC001592700690 1192627146 /nfs/dbraw/zinc/62/71/46/1192627146.db2.gz PSFFYBRZZKFNFR-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM N#Cc1cccc(CSc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001592701090 1192627650 /nfs/dbraw/zinc/62/76/50/1192627650.db2.gz CFSMKHMDRCZRFO-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001592700598 1192627723 /nfs/dbraw/zinc/62/77/23/1192627723.db2.gz LQCINBPCIGYDTN-WZRBSPASSA-N -1 3 311.414 3.267 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1SC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001592700598 1192627724 /nfs/dbraw/zinc/62/77/24/1192627724.db2.gz LQCINBPCIGYDTN-WZRBSPASSA-N -1 3 311.414 3.267 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001592791406 1192627753 /nfs/dbraw/zinc/62/77/53/1192627753.db2.gz FQWDFQOTODXOEL-ALCCZGGFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001592791406 1192627754 /nfs/dbraw/zinc/62/77/54/1192627754.db2.gz FQWDFQOTODXOEL-ALCCZGGFSA-N -1 3 312.279 3.041 20 30 DGEDHM N#Cc1ccccc1CSc1cccc(F)c1-c1nnn[n-]1 ZINC001592701596 1192627790 /nfs/dbraw/zinc/62/77/90/1192627790.db2.gz LOXFXNZFZBEVBR-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM COc1ccc([O-])c(NC(=O)c2[nH]c3ccccc3c2C#N)c1 ZINC001598128721 1192763433 /nfs/dbraw/zinc/76/34/33/1192763433.db2.gz XTXCPIMMKJPGLE-UHFFFAOYSA-N -1 3 307.309 3.006 20 30 DGEDHM Cc1cc([C@@H](NCc2ccc(F)c(C#N)c2)C(=O)[O-])ccc1F ZINC001600150501 1192796055 /nfs/dbraw/zinc/79/60/55/1192796055.db2.gz VBFLHQPIAVXLFW-MRXNPFEDSA-N -1 3 316.307 3.060 20 30 DGEDHM Cc1ccc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1C#N ZINC001600419455 1192849307 /nfs/dbraw/zinc/84/93/07/1192849307.db2.gz IPBLSLDRLMMWFX-AWEZNQCLSA-N -1 3 324.380 3.008 20 30 DGEDHM N#Cc1cccc([C@H](NCc2ccc(C(F)F)cc2)C(=O)[O-])c1 ZINC001601118672 1192919947 /nfs/dbraw/zinc/91/99/47/1192919947.db2.gz MNOIGKWYJONVBR-HNNXBMFYSA-N -1 3 316.307 3.411 20 30 DGEDHM N#CC(=C([O-])C=CSCc1ccco1)c1cccc(F)n1 ZINC001342644704 1179165863 /nfs/dbraw/zinc/16/58/63/1179165863.db2.gz YGXFKHGCCNXAQT-WAFBPQNNSA-N -1 3 302.330 3.437 20 30 DGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc2c(o1)CCCC2 ZINC001342717207 1179178160 /nfs/dbraw/zinc/17/81/60/1179178160.db2.gz LKPXGUFBICULKM-CQSZACIVSA-N -1 3 308.337 3.120 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(C(F)F)ccc1F ZINC001344322253 1179413189 /nfs/dbraw/zinc/41/31/89/1179413189.db2.gz KOJLXVMPPFJAFV-LLVKDONJSA-N -1 3 307.275 3.470 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccco1)c1nccn1Cc1ccccc1 ZINC001347076481 1179774340 /nfs/dbraw/zinc/77/43/40/1179774340.db2.gz RZIKIRABSCSIEO-JJEJIETFSA-N -1 3 317.348 3.414 20 30 DGEDHM C=C(C)CCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602756301 1192996101 /nfs/dbraw/zinc/99/61/01/1192996101.db2.gz JOAHOJAIHUJWEA-UHFFFAOYSA-N -1 3 319.796 3.229 20 30 DGEDHM C=C(C)CCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602756301 1192996103 /nfs/dbraw/zinc/99/61/03/1192996103.db2.gz JOAHOJAIHUJWEA-UHFFFAOYSA-N -1 3 319.796 3.229 20 30 DGEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc2occc2c1 ZINC001602746534 1192996485 /nfs/dbraw/zinc/99/64/85/1192996485.db2.gz OOSIOXXLLSJOMR-UHFFFAOYSA-N -1 3 304.313 3.059 20 30 DGEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc2occc2c1 ZINC001602746534 1192996486 /nfs/dbraw/zinc/99/64/86/1192996486.db2.gz OOSIOXXLLSJOMR-UHFFFAOYSA-N -1 3 304.313 3.059 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001602770364 1192996919 /nfs/dbraw/zinc/99/69/19/1192996919.db2.gz XTMDXFMCHKYMMU-UHFFFAOYSA-N -1 3 323.331 3.291 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001602770364 1192996921 /nfs/dbraw/zinc/99/69/21/1192996921.db2.gz XTMDXFMCHKYMMU-UHFFFAOYSA-N -1 3 323.331 3.291 20 30 DGEDHM C=CCCC(CCC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001602833518 1192999526 /nfs/dbraw/zinc/99/95/26/1192999526.db2.gz OYIKZLGAXHUKQF-UHFFFAOYSA-N -1 3 319.800 3.449 20 30 DGEDHM C=CCCC(CCC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001602833518 1192999528 /nfs/dbraw/zinc/99/95/28/1192999528.db2.gz OYIKZLGAXHUKQF-UHFFFAOYSA-N -1 3 319.800 3.449 20 30 DGEDHM CCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001604175186 1193058093 /nfs/dbraw/zinc/05/80/93/1193058093.db2.gz BSXATRJPKNLOKM-UHFFFAOYSA-N -1 3 315.421 3.265 20 30 DGEDHM CCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001604175186 1193058097 /nfs/dbraw/zinc/05/80/97/1193058097.db2.gz BSXATRJPKNLOKM-UHFFFAOYSA-N -1 3 315.421 3.265 20 30 DGEDHM CCCCCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604176694 1193058786 /nfs/dbraw/zinc/05/87/86/1193058786.db2.gz VMQNVBFZWQTCED-UHFFFAOYSA-N -1 3 304.354 3.157 20 30 DGEDHM CCCCCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604176694 1193058790 /nfs/dbraw/zinc/05/87/90/1193058790.db2.gz VMQNVBFZWQTCED-UHFFFAOYSA-N -1 3 304.354 3.157 20 30 DGEDHM CCCOc1cccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001604232316 1193061667 /nfs/dbraw/zinc/06/16/67/1193061667.db2.gz GVVWIMRFTPVKOK-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM Cc1noc(-c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cc2)n1 ZINC001357580387 1181410766 /nfs/dbraw/zinc/41/07/66/1181410766.db2.gz NUWMNZHLNXGYQU-CYBMUJFWSA-N -1 3 322.299 3.069 20 30 DGEDHM Cc1coc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)c1 ZINC001435634274 1181831155 /nfs/dbraw/zinc/83/11/55/1181831155.db2.gz YBGSZWYPIVSINA-UHFFFAOYSA-N -1 3 305.677 3.274 20 30 DGEDHM C=CCCn1cc(C(=O)[N-]c2c(C)noc2-c2ccccc2)nn1 ZINC001435811825 1181847435 /nfs/dbraw/zinc/84/74/35/1181847435.db2.gz FHOHWOGAMXZBND-UHFFFAOYSA-N -1 3 323.356 3.070 20 30 DGEDHM COc1cc(C)ccc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001605203131 1193128127 /nfs/dbraw/zinc/12/81/27/1193128127.db2.gz WLXHOCZRFODVCE-CLFYSBASSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C)ccc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001605203131 1193128132 /nfs/dbraw/zinc/12/81/32/1193128132.db2.gz WLXHOCZRFODVCE-CLFYSBASSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1c(C#N)cccc1NCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001605471140 1193155253 /nfs/dbraw/zinc/15/52/53/1193155253.db2.gz TZQVVUMSLJQHAF-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1c(C#N)cccc1NCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001605471140 1193155259 /nfs/dbraw/zinc/15/52/59/1193155259.db2.gz TZQVVUMSLJQHAF-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM COc1cc(F)c(C(=O)[N-]c2cc(C#N)c(F)cc2F)c(F)c1 ZINC001462285736 1182933349 /nfs/dbraw/zinc/93/33/49/1182933349.db2.gz SWFYNGKYMHKNNH-UHFFFAOYSA-N -1 3 324.233 3.376 20 30 DGEDHM CN(CCCCC1(C#N)CCC1)Cc1ccc(C(=O)[O-])cn1 ZINC001606116949 1193190877 /nfs/dbraw/zinc/19/08/77/1193190877.db2.gz FELCNDIAJXDOEE-UHFFFAOYSA-N -1 3 301.390 3.076 20 30 DGEDHM N#CC1(CCCCSc2ccncc2-c2nnn[n-]2)CCC1 ZINC001606342849 1193198716 /nfs/dbraw/zinc/19/87/16/1193198716.db2.gz DFGKAKRIDGHDLI-UHFFFAOYSA-N -1 3 314.418 3.218 20 30 DGEDHM N#CC1(CCCCSc2ccncc2-c2nn[n-]n2)CCC1 ZINC001606342849 1193198718 /nfs/dbraw/zinc/19/87/18/1193198718.db2.gz DFGKAKRIDGHDLI-UHFFFAOYSA-N -1 3 314.418 3.218 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC001606351071 1193198757 /nfs/dbraw/zinc/19/87/57/1193198757.db2.gz CHGGGJAOLKJYGG-UWVGGRQHSA-N -1 3 302.769 3.014 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC001606351071 1193198758 /nfs/dbraw/zinc/19/87/58/1193198758.db2.gz CHGGGJAOLKJYGG-UWVGGRQHSA-N -1 3 302.769 3.014 20 30 DGEDHM N#CC1(CSCc2ccc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC001606342753 1193199088 /nfs/dbraw/zinc/19/90/88/1193199088.db2.gz BNVSAXMZJITZFZ-UHFFFAOYSA-N -1 3 319.821 3.447 20 30 DGEDHM N#CC1(CSCc2ccc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC001606342753 1193199091 /nfs/dbraw/zinc/19/90/91/1193199091.db2.gz BNVSAXMZJITZFZ-UHFFFAOYSA-N -1 3 319.821 3.447 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1cc(F)ccc1F ZINC001606380249 1193199771 /nfs/dbraw/zinc/19/97/71/1193199771.db2.gz VXIJRHMTMUOVBO-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1cc(F)ccc1F ZINC001606380249 1193199772 /nfs/dbraw/zinc/19/97/72/1193199772.db2.gz VXIJRHMTMUOVBO-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM O=C(C=Cc1sccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC001606488914 1193200759 /nfs/dbraw/zinc/20/07/59/1193200759.db2.gz WXNPSVSQCWCVPT-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1sccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC001606488914 1193200761 /nfs/dbraw/zinc/20/07/61/1193200761.db2.gz WXNPSVSQCWCVPT-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM N#Cc1cscc1C(=O)Nc1cc([O-])cc(Br)c1 ZINC001468025665 1183305786 /nfs/dbraw/zinc/30/57/86/1183305786.db2.gz QXJNDLGVFZBGSP-UHFFFAOYSA-N -1 3 323.171 3.340 20 30 DGEDHM COc1cccc([C@H](N[C@@H](C)c2cccc(C#N)c2)C(=O)[O-])c1 ZINC001607312789 1193223799 /nfs/dbraw/zinc/22/37/99/1193223799.db2.gz JGRXFJTXLHHYPM-SJCJKPOMSA-N -1 3 310.353 3.043 20 30 DGEDHM N#Cc1c(Cl)nsc1NCCc1c(F)cc([O-])cc1F ZINC001472886899 1183695741 /nfs/dbraw/zinc/69/57/41/1183695741.db2.gz ZKGBJAFLWZOILU-UHFFFAOYSA-N -1 3 315.732 3.307 20 30 DGEDHM C=CCN(CCc1ccco1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001546209946 1184036079 /nfs/dbraw/zinc/03/60/79/1184036079.db2.gz HTJVCXOIXPVZKT-UHFFFAOYSA-N -1 3 313.353 3.059 20 30 DGEDHM C#CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001478245155 1184137759 /nfs/dbraw/zinc/13/77/59/1184137759.db2.gz HLRRTXBXZXDTCM-INIZCTEOSA-N -1 3 312.344 3.095 20 30 DGEDHM N#Cc1ccc([C@@H](NCc2ccc(C(F)F)cc2)C(=O)[O-])cc1 ZINC001608202627 1193283212 /nfs/dbraw/zinc/28/32/12/1193283212.db2.gz UTOPHFAOAKZTQX-OAHLLOKOSA-N -1 3 316.307 3.411 20 30 DGEDHM C=CCCN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC001609054805 1193322113 /nfs/dbraw/zinc/32/21/13/1193322113.db2.gz HGDVYPXJYNPTPL-UHFFFAOYSA-N -1 3 314.780 3.081 20 30 DGEDHM C=CCCN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC001609054805 1193322115 /nfs/dbraw/zinc/32/21/15/1193322115.db2.gz HGDVYPXJYNPTPL-UHFFFAOYSA-N -1 3 314.780 3.081 20 30 DGEDHM CC(C)(C)[C@@H]1CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609074250 1193323440 /nfs/dbraw/zinc/32/34/40/1193323440.db2.gz IHTCXAXGXWXNQK-SECBINFHSA-N -1 3 319.800 3.139 20 30 DGEDHM CC(C)(C)[C@@H]1CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609074250 1193323442 /nfs/dbraw/zinc/32/34/42/1193323442.db2.gz IHTCXAXGXWXNQK-SECBINFHSA-N -1 3 319.800 3.139 20 30 DGEDHM CC(C)(C)[C@H]1CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609074251 1193323961 /nfs/dbraw/zinc/32/39/61/1193323961.db2.gz IHTCXAXGXWXNQK-VIFPVBQESA-N -1 3 319.800 3.139 20 30 DGEDHM CC(C)(C)[C@H]1CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609074251 1193323964 /nfs/dbraw/zinc/32/39/64/1193323964.db2.gz IHTCXAXGXWXNQK-VIFPVBQESA-N -1 3 319.800 3.139 20 30 DGEDHM CC[C@@]1(C)CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609196646 1193329530 /nfs/dbraw/zinc/32/95/30/1193329530.db2.gz VONDVQSSOWHRNO-AWEZNQCLSA-N -1 3 319.800 3.283 20 30 DGEDHM CC[C@@]1(C)CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609196646 1193329532 /nfs/dbraw/zinc/32/95/32/1193329532.db2.gz VONDVQSSOWHRNO-AWEZNQCLSA-N -1 3 319.800 3.283 20 30 DGEDHM C=C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)[O-] ZINC001609267485 1193333184 /nfs/dbraw/zinc/33/31/84/1193333184.db2.gz WLSQNOWOUZGPEW-ZBFHGGJFSA-N -1 3 316.788 3.248 20 30 DGEDHM Cc1cc(C=C2Cc3ccc(F)cc3C2=O)ccc1-c1nnn[n-]1 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O=C(c1cn2c(n1)CCCC2)N([O-])CCCCc1ccccc1 ZINC001611653214 1193439126 /nfs/dbraw/zinc/43/91/26/1193439126.db2.gz HYYYDHYLOJTZFE-UHFFFAOYSA-N -1 3 313.401 3.074 20 30 DGEDHM Cc1c(C(=O)N([O-])CCCCc2ccccc2)nnn1C(C)C ZINC001611653418 1193439131 /nfs/dbraw/zinc/43/91/31/1193439131.db2.gz QSKZFFHPSBJZMR-UHFFFAOYSA-N -1 3 316.405 3.022 20 30 DGEDHM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])CCCC ZINC001611658104 1193439329 /nfs/dbraw/zinc/43/93/29/1193439329.db2.gz UZFKQUAGMVZPQB-ZDUSSCGKSA-N -1 3 314.426 3.254 20 30 DGEDHM N#Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nc1 ZINC001611642632 1193439513 /nfs/dbraw/zinc/43/95/13/1193439513.db2.gz YDJIDRKWCHOBMI-UHFFFAOYSA-N -1 3 322.151 3.292 20 30 DGEDHM O=C(COCc1cccc(Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC001611666913 1193439760 /nfs/dbraw/zinc/43/97/60/1193439760.db2.gz HGESURSTOXLDQO-UHFFFAOYSA-N -1 3 323.751 3.414 20 30 DGEDHM Cc1cccc2nc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cn21 ZINC001518384933 1186839949 /nfs/dbraw/zinc/83/99/49/1186839949.db2.gz BPASMYAJBWPMFX-GFCCVEGCSA-N -1 3 322.393 3.467 20 30 DGEDHM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1cccc(F)n1 ZINC001524703120 1187261086 /nfs/dbraw/zinc/26/10/86/1187261086.db2.gz AGTXJTFJDFSDBB-MMQHEFTJSA-N -1 3 318.311 3.054 20 30 DGEDHM C#CC(C)(C)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001537967917 1188110651 /nfs/dbraw/zinc/11/06/51/1188110651.db2.gz HOFQTDNEUNIRKN-UHFFFAOYSA-N -1 3 316.145 3.069 20 30 DGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccccc1 ZINC001557178478 1189046697 /nfs/dbraw/zinc/04/66/97/1189046697.db2.gz ODRPAEGJLOZXBO-INIZCTEOSA-N -1 3 310.303 3.141 20 30 DGEDHM C=C(C)CCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001558687775 1189142525 /nfs/dbraw/zinc/14/25/25/1189142525.db2.gz LUVKLTNMAWUECO-UHFFFAOYSA-N -1 3 313.357 3.062 20 30 DGEDHM C=C(C)CCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001558687775 1189142530 /nfs/dbraw/zinc/14/25/30/1189142530.db2.gz LUVKLTNMAWUECO-UHFFFAOYSA-N -1 3 313.357 3.062 20 30 DGEDHM O=C(c1ccc(-n2cccc2)nc1)N([O-])Cc1ccc(F)cc1 ZINC001559037176 1189164688 /nfs/dbraw/zinc/16/46/88/1189164688.db2.gz MGIWUNHQEUWABX-UHFFFAOYSA-N -1 3 311.316 3.043 20 30 DGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(O)c2[O-])cc1 ZINC001565625478 1189659701 /nfs/dbraw/zinc/65/97/01/1189659701.db2.gz PWTQUJMMPRLNKY-HNNXBMFYSA-N -1 3 324.380 3.390 20 30 DGEDHM COc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC001570556086 1190887919 /nfs/dbraw/zinc/88/79/19/1190887919.db2.gz NYVSJYCRQGKAKY-LBPRGKRZSA-N -1 3 310.353 3.106 20 30 DGEDHM C[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1cccc(C#N)c1 ZINC001620572711 1193779644 /nfs/dbraw/zinc/77/96/44/1193779644.db2.gz NMPUURZHQCGQBP-SNVBAGLBSA-N -1 3 310.382 3.119 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001628286995 1194170694 /nfs/dbraw/zinc/17/06/94/1194170694.db2.gz JMIKWGQBIOENLJ-SECBINFHSA-N -1 3 323.190 3.095 20 30 DGEDHM CCCCN([O-])C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001639067158 1194749394 /nfs/dbraw/zinc/74/93/94/1194749394.db2.gz MVSLILOQENZMFU-UHFFFAOYSA-N -1 3 320.433 3.122 20 30 DGEDHM Cn1ncc(C(=O)N([O-])Cc2cccc3ccccc32)c1Cl ZINC001639078179 1194750078 /nfs/dbraw/zinc/75/00/78/1194750078.db2.gz BFTSNKLNHFYETD-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM Cc1cc(NCc2ccc([O-])c(F)c2)c(C#N)cc1[N+](=O)[O-] ZINC001639524317 1194769851 /nfs/dbraw/zinc/76/98/51/1194769851.db2.gz TXJWNNOTKAIACB-UHFFFAOYSA-N -1 3 301.277 3.232 20 30 DGEDHM COCc1cccc(CC(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001641861722 1194874958 /nfs/dbraw/zinc/87/49/58/1194874958.db2.gz BMBLBBVSIQDMHD-UHFFFAOYSA-N -1 3 319.788 3.447 20 30 DGEDHM CCCCN([O-])C(=O)Cc1cc(Br)ccc1C ZINC001641869926 1194876481 /nfs/dbraw/zinc/87/64/81/1194876481.db2.gz DHXHWYMYJKXETE-UHFFFAOYSA-N -1 3 300.196 3.318 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC001641870267 1194876817 /nfs/dbraw/zinc/87/68/17/1194876817.db2.gz GPRHIYDXCBBAFV-INIZCTEOSA-N -1 3 308.397 3.198 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)CCc2cnc3ccccc3c2)c1 ZINC001648729383 1195326582 /nfs/dbraw/zinc/32/65/82/1195326582.db2.gz LALPKECFPZUOQV-UHFFFAOYSA-N -1 3 317.348 3.149 20 30 DGEDHM C=CCOc1cccnc1C(=O)N([O-])Cc1ccccc1Cl ZINC001651223635 1195427311 /nfs/dbraw/zinc/42/73/11/1195427311.db2.gz NHYWRIUDWJSZHI-UHFFFAOYSA-N -1 3 318.760 3.331 20 30 DGEDHM O=C(COc1ccsc1)N([O-])CCCCc1ccccc1 ZINC001651226100 1195429299 /nfs/dbraw/zinc/42/92/99/1195429299.db2.gz KWIOAKUJOWPOGT-UHFFFAOYSA-N -1 3 305.399 3.368 20 30 DGEDHM N#Cc1cc([N+](=O)[O-])ccc1NCCc1c(F)cc([O-])cc1F ZINC001651449682 1195464699 /nfs/dbraw/zinc/46/46/99/1195464699.db2.gz LYLUMELYDMZIKO-UHFFFAOYSA-N -1 3 319.267 3.105 20 30 DGEDHM CCCCN([O-])C(=O)c1nccnc1SCc1ccccc1 ZINC001654822275 1195844002 /nfs/dbraw/zinc/84/40/02/1195844002.db2.gz ZTTQSSKSPALDIR-UHFFFAOYSA-N -1 3 317.414 3.400 20 30 DGEDHM O=C(CCCn1cccn1)N([O-])Cc1cccc2ccccc21 ZINC001654825861 1195845436 /nfs/dbraw/zinc/84/54/36/1195845436.db2.gz GYWBRABWBMAXHH-UHFFFAOYSA-N -1 3 309.369 3.235 20 30 DGEDHM N#Cc1ccc(Cn2cc(NCc3ccc([O-])c(F)c3)cn2)cc1 ZINC001660539981 1196495273 /nfs/dbraw/zinc/49/52/73/1196495273.db2.gz OGQDBPVWBKBOJR-UHFFFAOYSA-N -1 3 322.343 3.260 20 30 DGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001663325598 1196836267 /nfs/dbraw/zinc/83/62/67/1196836267.db2.gz UADJFGLLNJYDNG-UHFFFAOYSA-N -1 3 308.230 3.484 20 30 DGEDHM C#CCOc1cccc(Cl)c1CN(CC(=O)[O-])CC(C)(C)C ZINC001602704364 971334477 /nfs/dbraw/zinc/33/44/77/971334477.db2.gz GLUAJSNRVPYBMR-UHFFFAOYSA-N -1 3 323.820 3.285 20 30 DGEDHM C=CC[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573325975 947366477 /nfs/dbraw/zinc/36/64/77/947366477.db2.gz JHFNUAVKXUTFQA-HNNXBMFYSA-N -1 3 320.400 3.169 20 30 DGEDHM C=CC[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573325975 947366491 /nfs/dbraw/zinc/36/64/91/947366491.db2.gz JHFNUAVKXUTFQA-HNNXBMFYSA-N -1 3 320.400 3.169 20 30 DGEDHM C=CCCCN(CC)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001573334566 947459480 /nfs/dbraw/zinc/45/94/80/947459480.db2.gz FOPBLKZSQTXKBF-UHFFFAOYSA-N -1 3 306.801 3.016 20 30 DGEDHM C=CCCCN(CC)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001573334566 947459484 /nfs/dbraw/zinc/45/94/84/947459484.db2.gz FOPBLKZSQTXKBF-UHFFFAOYSA-N -1 3 306.801 3.016 20 30 DGEDHM N#Cc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1Cl ZINC001594620917 956280620 /nfs/dbraw/zinc/28/06/20/956280620.db2.gz WDQLGTSQZGZCIK-UHFFFAOYSA-N -1 3 300.745 3.200 20 30 DGEDHM C#CCOc1cccc(Cl)c1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC001573327094 958485164 /nfs/dbraw/zinc/48/51/64/958485164.db2.gz CUYIFWLPJNXMTR-ZDUSSCGKSA-N -1 3 321.804 3.039 20 30 DGEDHM Cc1cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)ccc1C#N ZINC001605171947 972875304 /nfs/dbraw/zinc/87/53/04/972875304.db2.gz DNZJVLZNBRIADM-GOSISDBHSA-N -1 3 306.365 3.051 20 30 DGEDHM C=CC[C@@H](Cc1ccccc1)NCc1ncc(C(=O)[O-])s1 ZINC001588744414 984041741 /nfs/dbraw/zinc/04/17/41/984041741.db2.gz KONFYXLRUBZWDC-ZDUSSCGKSA-N -1 3 302.399 3.118 20 30 DGEDHM C=CCCCN1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588801224 984244276 /nfs/dbraw/zinc/24/42/76/984244276.db2.gz AWHXHZICTLKJOT-INIZCTEOSA-N -1 3 322.836 3.050 20 30 DGEDHM C=CCN(Cc1snc(OC)c1C(=O)[O-])CC1CCCCC1 ZINC001588831706 984316517 /nfs/dbraw/zinc/31/65/17/984316517.db2.gz KSVOIMGGQAWHMM-UHFFFAOYSA-N -1 3 324.446 3.418 20 30 DGEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001588873556 984444711 /nfs/dbraw/zinc/44/47/11/984444711.db2.gz CPNNOTAWCNCEKW-GOSISDBHSA-N -1 3 322.364 3.039 20 30 DGEDHM CCc1[nH]c(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001597391963 987623531 /nfs/dbraw/zinc/62/35/31/987623531.db2.gz NNSMXBSFSJWULV-GOSISDBHSA-N -1 3 323.396 3.314 20 30 DGEDHM CSc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1C#N ZINC001599812807 988367240 /nfs/dbraw/zinc/36/72/40/988367240.db2.gz HBMWAROXUPGXOA-AWEZNQCLSA-N -1 3 318.423 3.257 20 30 DGEDHM CC(C)Cc1ccccc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001591491036 992627088 /nfs/dbraw/zinc/62/70/88/992627088.db2.gz UIDHWNNDYDLKJX-UHFFFAOYSA-N -1 3 300.402 3.075 20 30 DGEDHM CCCCCCCCS(=O)(=O)[N-]c1cnnc(Cl)c1 ZINC001187993162 1099650474 /nfs/dbraw/zinc/65/04/74/1099650474.db2.gz LJPSQZRFHBBSSW-UHFFFAOYSA-N -1 3 305.831 3.232 20 30 DGEDHM N#CCOc1ccc(Nc2ncc(Br)cc2[O-])cc1 ZINC001212604802 1082584395 /nfs/dbraw/zinc/58/43/95/1082584395.db2.gz WBAPWVFAPIKTNO-UHFFFAOYSA-N -1 3 320.146 3.196 20 30 DGEDHM COc1ccc2c(CC(=O)Nc3ccc([O-])c(C#N)c3)coc2c1 ZINC001182030034 1083609300 /nfs/dbraw/zinc/60/93/00/1083609300.db2.gz SQDXBICGOAMBBM-UHFFFAOYSA-N -1 3 322.320 3.200 20 30 DGEDHM COc1ccc(C#CC(=O)Nc2cc([O-])cc(Cl)c2)cc1 ZINC001182047971 1083617049 /nfs/dbraw/zinc/61/70/49/1083617049.db2.gz ARUAEFWRCYKBCF-UHFFFAOYSA-N -1 3 301.729 3.044 20 30 DGEDHM Cc1nc(N)ccc1CNc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001167786966 1083949099 /nfs/dbraw/zinc/94/90/99/1083949099.db2.gz MSJTWHPWMJVGKE-QPSGOUHRSA-N -1 3 324.306 3.411 20 30 DGEDHM N#Cc1cc(NC(=O)Cc2cc3cccnc3cc2F)ccc1[O-] ZINC001183852910 1084043428 /nfs/dbraw/zinc/04/34/28/1084043428.db2.gz PEYJKBBUACDING-UHFFFAOYSA-N -1 3 321.311 3.132 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1ccc(-n2ccnc2)cc1 ZINC001184314814 1084147500 /nfs/dbraw/zinc/14/75/00/1084147500.db2.gz LRLHJENENATRSU-UHFFFAOYSA-N -1 3 301.390 3.213 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccc(C(=O)OC(C)(C)C)cn1 ZINC001184314841 1084147705 /nfs/dbraw/zinc/14/77/05/1084147705.db2.gz MXVHSXKOLKXNAK-UHFFFAOYSA-N -1 3 322.405 3.449 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@]1(C)Cc2ccc(C)cc2C(=O)O1 ZINC001184314625 1084147971 /nfs/dbraw/zinc/14/79/71/1084147971.db2.gz CMEVNWIXDIYFBX-SFHVURJKSA-N -1 3 319.401 3.265 20 30 DGEDHM O=C(c1nccc2ccsc21)N([O-])Cc1ccc(F)cc1 ZINC001184347791 1084165302 /nfs/dbraw/zinc/16/53/02/1084165302.db2.gz DVMXADQZTCVOEZ-UHFFFAOYSA-N -1 3 302.330 3.467 20 30 DGEDHM O=C([C@@H]1CCC(=O)c2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC001184348150 1084165364 /nfs/dbraw/zinc/16/53/64/1084165364.db2.gz LNIJRXGIGRZARQ-MRXNPFEDSA-N -1 3 313.328 3.304 20 30 DGEDHM CC(=O)Nc1ccc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001184348381 1084165495 /nfs/dbraw/zinc/16/54/95/1084165495.db2.gz NKFRTUNPSPZRDE-UHFFFAOYSA-N -1 3 316.332 3.124 20 30 DGEDHM N#Cc1sccc1[N-]C(=O)c1cc(Cl)c(C#N)c(Cl)n1 ZINC001184796491 1084267003 /nfs/dbraw/zinc/26/70/03/1084267003.db2.gz VFLHLNBEEKQIEQ-UHFFFAOYSA-N -1 3 323.164 3.446 20 30 DGEDHM Cc1cc(C#N)cc(Cl)c1[N-]S(=O)(=O)c1ccsc1 ZINC001185383161 1084426544 /nfs/dbraw/zinc/42/65/44/1084426544.db2.gz VSBXYAQAEHFDQB-UHFFFAOYSA-N -1 3 312.803 3.382 20 30 DGEDHM Cc1cnc(NCc2ncccc2[O-])c(C#C[Si](C)(C)C)c1 ZINC001158774919 1088022477 /nfs/dbraw/zinc/02/24/77/1088022477.db2.gz WZBXBRDPLXJZTP-UHFFFAOYSA-N -1 3 311.461 3.332 20 30 DGEDHM CC(C)c1ccc(C([O-])=C(C#N)c2ncc(Cl)n2C)cn1 ZINC001123234003 1088365162 /nfs/dbraw/zinc/36/51/62/1088365162.db2.gz QIVCIFUGZAXTKP-NSHDSACASA-N -1 3 302.765 3.082 20 30 DGEDHM C=C(C)CN(CC)C(=O)c1cc(=O)c2cc(Cl)ccc2[n-]1 ZINC001153903964 1088405945 /nfs/dbraw/zinc/40/59/45/1088405945.db2.gz HVWJKVSEMLGRTA-UHFFFAOYSA-N -1 3 304.777 3.220 20 30 DGEDHM CC(C)(C)C#CCNC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001160393899 1088776605 /nfs/dbraw/zinc/77/66/05/1088776605.db2.gz ZKMRLPUUAOXBRI-UHFFFAOYSA-N -1 3 305.781 3.107 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc2c(F)cccc12 ZINC001156099182 1089384577 /nfs/dbraw/zinc/38/45/77/1089384577.db2.gz JKIAOKLAIQLBHH-UHFFFAOYSA-N -1 3 323.327 3.418 20 30 DGEDHM C#Cc1cncc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC001161783057 1089400868 /nfs/dbraw/zinc/40/08/68/1089400868.db2.gz DWAJWDXNMIUISG-UHFFFAOYSA-N -1 3 321.163 3.401 20 30 DGEDHM COC(=O)Nc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001161842481 1089434604 /nfs/dbraw/zinc/43/46/04/1089434604.db2.gz GGIDMXIWCZDCAM-UHFFFAOYSA-N -1 3 318.304 3.036 20 30 DGEDHM Cc1cc(F)c(CC(=O)N([O-])Cc2ccc(F)cc2)cc1F ZINC001161842454 1089435699 /nfs/dbraw/zinc/43/56/99/1089435699.db2.gz FMHPRRVLSZQVLX-UHFFFAOYSA-N -1 3 309.287 3.373 20 30 DGEDHM C#CC1(NC(F)(F)c2cc(Cl)nc(=S)[n-]2)CCCCC1 ZINC001162479831 1089752768 /nfs/dbraw/zinc/75/27/68/1089752768.db2.gz PHJKFKWVTMLDSL-UHFFFAOYSA-N -1 3 317.792 3.394 20 30 DGEDHM CCCCN(CC#N)C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001165159466 1090473288 /nfs/dbraw/zinc/47/32/88/1090473288.db2.gz HPJVUNVABUBEBR-UHFFFAOYSA-N -1 3 306.769 3.094 20 30 DGEDHM O=C([C@H]1COc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001649051594 1090577957 /nfs/dbraw/zinc/57/79/57/1090577957.db2.gz CEPHHEWYHRJKCZ-KRWDZBQOSA-N -1 3 311.381 3.403 20 30 DGEDHM O=C(c1snnc1C1CC1)N([O-])CCCCc1ccccc1 ZINC001649052049 1090578444 /nfs/dbraw/zinc/57/84/44/1090578444.db2.gz QWVYWKJOPVYBKH-UHFFFAOYSA-N -1 3 317.414 3.270 20 30 DGEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001212482808 1090939475 /nfs/dbraw/zinc/93/94/75/1090939475.db2.gz KOUDLJVNFKTABL-SMDDNHRTSA-N -1 3 315.385 3.378 20 30 DGEDHM COC(=O)c1cc(C#N)cc(C)c1Nc1cc(F)cc(F)c1[O-] ZINC001212493264 1090948362 /nfs/dbraw/zinc/94/83/62/1090948362.db2.gz WUPMAHAESJTTAH-UHFFFAOYSA-N -1 3 318.279 3.381 20 30 DGEDHM COC(CO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1)OC ZINC001204894605 1091057585 /nfs/dbraw/zinc/05/75/85/1091057585.db2.gz NJGDJCMBOUPURI-LYHOESIGSA-N -1 3 315.369 3.242 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001164450608 1091407875 /nfs/dbraw/zinc/40/78/75/1091407875.db2.gz ARSXFGBWCZKJHC-UHFFFAOYSA-N -1 3 323.190 3.097 20 30 DGEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(CC)cc1[O-] ZINC000820449575 1091625517 /nfs/dbraw/zinc/62/55/17/1091625517.db2.gz YGCZFKIBZPULOY-OAHLLOKOSA-N -1 3 301.386 3.095 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2ccnn2CC2CCC2)cc(O)c1[O-] ZINC000828140725 1091809563 /nfs/dbraw/zinc/80/95/63/1091809563.db2.gz GTWCFRCQJKMRNG-WAYWQWQTSA-N -1 3 312.369 3.299 20 30 DGEDHM CN(CCc1cccc(C#N)c1)Cc1ccc([O-])c(F)c1F ZINC001207218317 1091890253 /nfs/dbraw/zinc/89/02/53/1091890253.db2.gz IQQFILNLRIWLJJ-UHFFFAOYSA-N -1 3 302.324 3.217 20 30 DGEDHM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cccc([O-])c1Br ZINC001140551228 1091905521 /nfs/dbraw/zinc/90/55/21/1091905521.db2.gz WSOYZIZZYDYEEJ-UOJUARBOSA-N -1 3 321.218 3.421 20 30 DGEDHM CCCCCCCCC/C=C\C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001298541729 1092070951 /nfs/dbraw/zinc/07/09/51/1092070951.db2.gz LHMPDUZBWBUJSZ-VSKPTYQZSA-N -1 3 310.438 3.180 20 30 DGEDHM COc1cc(Br)c([O-])c(Nc2cccnc2C#N)c1 ZINC001210147540 1093059115 /nfs/dbraw/zinc/05/91/15/1093059115.db2.gz NYOBSZQFAOSKJI-UHFFFAOYSA-N -1 3 320.146 3.174 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(C#N)cc1C ZINC001210376630 1093145980 /nfs/dbraw/zinc/14/59/80/1093145980.db2.gz DCNZTUNYUYHCHY-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM Cc1cc(C#N)cc(C)c1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001215648418 1094024338 /nfs/dbraw/zinc/02/43/38/1094024338.db2.gz UOGXGLHOKLAHQQ-UHFFFAOYSA-N -1 3 309.369 3.326 20 30 DGEDHM COc1ncc(Nc2cccc(C(F)(F)F)c2C#N)cc1[O-] ZINC001216209624 1094147908 /nfs/dbraw/zinc/14/79/08/1094147908.db2.gz GMTNTMIBXHJHIF-UHFFFAOYSA-N -1 3 309.247 3.430 20 30 DGEDHM CC(C)(C)OC(=O)n1ccc([N-]c2ncc(C#N)cc2Cl)n1 ZINC001216671386 1094245346 /nfs/dbraw/zinc/24/53/46/1094245346.db2.gz YZDVVKWVPZTRPH-UHFFFAOYSA-N -1 3 319.752 3.330 20 30 DGEDHM COc1cc([O-])cc(-c2nc(-c3ccc(C#N)c(C)c3)no2)c1 ZINC001216977366 1094287314 /nfs/dbraw/zinc/28/73/14/1094287314.db2.gz UHTSFUWDWYVCEN-UHFFFAOYSA-N 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/nfs/dbraw/zinc/08/62/73/1095086273.db2.gz ZJFDGDLWDPHVSW-NSHDSACASA-N -1 3 324.384 3.442 20 30 DGEDHM CCC[C@@H]1CCCC[C@H]1/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001338651007 1095353202 /nfs/dbraw/zinc/35/32/02/1095353202.db2.gz HFDLSITWIMGDLT-TZMCWYRMSA-N -1 3 306.431 3.084 20 30 DGEDHM COc1cccc(C(=O)N(CCC#N)c2ccc(F)cc2)c1[O-] ZINC001144056351 1095496890 /nfs/dbraw/zinc/49/68/90/1095496890.db2.gz YFNHZQFEKRJRMD-UHFFFAOYSA-N -1 3 314.316 3.100 20 30 DGEDHM CON(C)C(=O)c1cc(F)cc(-c2ccc(/C(C)=N/[O-])cc2)c1 ZINC001222234576 1095503553 /nfs/dbraw/zinc/50/35/53/1095503553.db2.gz SFLQDKUTTYZIAU-YBFXNURJSA-N -1 3 316.332 3.324 20 30 DGEDHM [O-]/N=C(\O[C@H]1CCCc2c(Cl)ccnc21)c1ccccn1 ZINC001223982607 1096109703 /nfs/dbraw/zinc/10/97/03/1096109703.db2.gz WYZQJBPBWUPZKF-XEMYWUMJSA-N -1 3 303.749 3.360 20 30 DGEDHM C=CC(C=C)Oc1cc(C)cc([O-])c1I ZINC001225510888 1096454120 /nfs/dbraw/zinc/45/41/20/1096454120.db2.gz ODSVNDQPDIIYOB-UHFFFAOYSA-N -1 3 316.138 3.425 20 30 DGEDHM COc1cccc(OC[C@H](C)Oc2cccc(/C=N/[O-])c2)c1 ZINC001226113794 1096616038 /nfs/dbraw/zinc/61/60/38/1096616038.db2.gz AJMNLPNMTNRPDG-FHXOWUIVSA-N -1 3 301.342 3.350 20 30 DGEDHM COc1ccc([C@H](Oc2nccc(/C=N/[O-])n2)C(C)C)cc1 ZINC001226255164 1096647487 /nfs/dbraw/zinc/64/74/87/1096647487.db2.gz GVLOYNKEDLHOCB-BFERYNQYSA-N -1 3 301.346 3.069 20 30 DGEDHM C#CC(C#C)Oc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21 ZINC001226492308 1096703822 /nfs/dbraw/zinc/70/38/22/1096703822.db2.gz VGXZDLZFDNFRLR-UHFFFAOYSA-N -1 3 316.312 3.179 20 30 DGEDHM N#C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1ccccc1F ZINC001226599747 1096732341 /nfs/dbraw/zinc/73/23/41/1096732341.db2.gz NHCZOPIQQHVRJO-AWEZNQCLSA-N -1 3 311.268 3.281 20 30 DGEDHM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCN(C(C)C)C1 ZINC001227120915 1096873731 /nfs/dbraw/zinc/87/37/31/1096873731.db2.gz WRJXHOSSCIUNNG-AWEZNQCLSA-N -1 3 303.402 3.185 20 30 DGEDHM C[C@@H](C#C[Si](C)(C)C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227583097 1096954877 /nfs/dbraw/zinc/95/48/77/1096954877.db2.gz ISNHKSPKXQDDRB-VIFPVBQESA-N -1 3 303.356 3.454 20 30 DGEDHM C#C[C@@H](Oc1nc2cc(C(=O)OCC)ccc2[n-]1)c1ccccc1 ZINC001227701661 1096972255 /nfs/dbraw/zinc/97/22/55/1096972255.db2.gz JWIXADDAAHWDDL-QGZVFWFLSA-N -1 3 320.348 3.493 20 30 DGEDHM COc1cccc2nc(=O)[n-]c(O[C@H](C)c3ccccc3C#N)c21 ZINC001229243182 1097282349 /nfs/dbraw/zinc/28/23/49/1097282349.db2.gz QZYIJKVDILOLAK-LLVKDONJSA-N -1 3 321.336 3.356 20 30 DGEDHM C=C[C@H](Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC001229342891 1097301773 /nfs/dbraw/zinc/30/17/73/1097301773.db2.gz VMADMSGVYXCAFC-AWEZNQCLSA-N -1 3 308.341 3.181 20 30 DGEDHM C=C[C@H](Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC001229342891 1097301778 /nfs/dbraw/zinc/30/17/78/1097301778.db2.gz VMADMSGVYXCAFC-AWEZNQCLSA-N -1 3 308.341 3.181 20 30 DGEDHM C#C[C@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)c1ccncc1 ZINC001230885320 1097613899 /nfs/dbraw/zinc/61/38/99/1097613899.db2.gz JQIIDRYGVUWKAW-ZDUSSCGKSA-N -1 3 311.728 3.137 20 30 DGEDHM N#C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1cccc(F)c1 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CCCc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n[nH]1 ZINC000605362920 400855531 /nfs/dbraw/zinc/85/55/31/400855531.db2.gz ZMGYWAKVFBIDTJ-LBPRGKRZSA-N -1 3 307.357 3.037 20 30 DGEDHM CCCc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)n[nH]1 ZINC000605362920 400855535 /nfs/dbraw/zinc/85/55/35/400855535.db2.gz ZMGYWAKVFBIDTJ-LBPRGKRZSA-N -1 3 307.357 3.037 20 30 DGEDHM CC(C)N(CCC#N)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598896197 400907944 /nfs/dbraw/zinc/90/79/44/400907944.db2.gz GIRKNCXXBNGMAV-UHFFFAOYSA-N -1 3 300.280 3.175 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c(F)c2F)nc(C)n1 ZINC000633900323 401140905 /nfs/dbraw/zinc/14/09/05/401140905.db2.gz PCGHMUWLUZPBOV-LBPRGKRZSA-N -1 3 301.296 3.170 20 30 DGEDHM C=CCOc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000629772726 401086143 /nfs/dbraw/zinc/08/61/43/401086143.db2.gz VYDOVSPSDZJHKG-JSGCOSHPSA-N -1 3 323.820 3.447 20 30 DGEDHM C#CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCC1 ZINC000065912209 401284778 /nfs/dbraw/zinc/28/47/78/401284778.db2.gz ZSZFMAIFFPJKAG-UHFFFAOYSA-N -1 3 308.381 3.349 20 30 DGEDHM COCc1nc(C(=O)[N-]c2sc(C)c(C)c2C#N)cs1 ZINC000065048905 401256308 /nfs/dbraw/zinc/25/63/08/401256308.db2.gz JRIUDFFYZHKRIQ-UHFFFAOYSA-N -1 3 307.400 3.092 20 30 DGEDHM C=CCC(C)(C)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000627519232 401467471 /nfs/dbraw/zinc/46/74/71/401467471.db2.gz NAXZVXKJWOLIKM-UHFFFAOYSA-N -1 3 312.207 3.487 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1Cl ZINC000186626056 165052140 /nfs/dbraw/zinc/05/21/40/165052140.db2.gz CAIHCKUCXBKLKF-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000355872857 229320850 /nfs/dbraw/zinc/32/08/50/229320850.db2.gz ZCCGCNPICRJVLD-UHFFFAOYSA-N -1 3 324.764 3.346 20 30 DGEDHM Cc1cccc2c1[n-]cc(C(=O)Nc1ccc(CC#N)cc1)c2=O ZINC000357455280 229348884 /nfs/dbraw/zinc/34/88/84/229348884.db2.gz QBFYXXWKWIZUIX-UHFFFAOYSA-N -1 3 317.348 3.155 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c(Cl)c1 ZINC000355714448 268200592 /nfs/dbraw/zinc/20/05/92/268200592.db2.gz MICYEUORFUFMIN-UHFFFAOYSA-N -1 3 324.833 3.070 20 30 DGEDHM C=C[C@H]1CCCCN1C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000429463342 276923838 /nfs/dbraw/zinc/92/38/38/276923838.db2.gz GIZJSWGFTUMKSI-AWEZNQCLSA-N -1 3 310.397 3.326 20 30 DGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OC)c1[O-] ZINC000078284915 431654063 /nfs/dbraw/zinc/65/40/63/431654063.db2.gz QIEDDBXQZGBODL-UHFFFAOYSA-N -1 3 324.380 3.325 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000120202371 431724090 /nfs/dbraw/zinc/72/40/90/431724090.db2.gz CCEJUNUWIGKBEO-GFCCVEGCSA-N -1 3 310.444 3.399 20 30 DGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000121734541 431805892 /nfs/dbraw/zinc/80/58/92/431805892.db2.gz BJIFKBNCRIIDKD-MMQHEFTJSA-N -1 3 312.822 3.168 20 30 DGEDHM COc1ccc(F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122976993 431850650 /nfs/dbraw/zinc/85/06/50/431850650.db2.gz CKTVOAAZDUAEHS-CYBMUJFWSA-N -1 3 323.327 3.211 20 30 DGEDHM CC1(C)[C@@H](/N=C/c2cc(Br)ccc2[O-])[C@@H]2CCO[C@@H]21 ZINC000123241612 431859348 /nfs/dbraw/zinc/85/93/48/431859348.db2.gz TUWPSVIAHRAWHW-SMXVOBEFSA-N -1 3 324.218 3.387 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cccn3)cc2)n1 ZINC000041519095 431859663 /nfs/dbraw/zinc/85/96/63/431859663.db2.gz AGUXICZFPWQYNH-CQSZACIVSA-N -1 3 308.366 3.127 20 30 DGEDHM CC(C)Oc1cncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000089492561 431867919 /nfs/dbraw/zinc/86/79/19/431867919.db2.gz ZZJCSSJOVRMZEH-CQSZACIVSA-N -1 3 320.352 3.235 20 30 DGEDHM CCCN(CC#N)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094034667 431919149 /nfs/dbraw/zinc/91/91/49/431919149.db2.gz DAXNAFHXNJQVHG-UHFFFAOYSA-N -1 3 308.381 3.359 20 30 DGEDHM CCN(CC)c1ccc(C=Nc2cccc(C(N)=O)c2)c([O-])c1 ZINC000254519960 432402812 /nfs/dbraw/zinc/40/28/12/432402812.db2.gz YIRATXVBHWNIGY-UHFFFAOYSA-N -1 3 311.385 3.088 20 30 DGEDHM C=CCN(C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C1CC1 ZINC000271474912 432403626 /nfs/dbraw/zinc/40/36/26/432403626.db2.gz ZIWPDUWZFWOZJA-UHFFFAOYSA-N -1 3 300.333 3.179 20 30 DGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000272436890 432500682 /nfs/dbraw/zinc/50/06/82/432500682.db2.gz NZQNKDUSEQMXEX-CYBMUJFWSA-N -1 3 318.801 3.086 20 30 DGEDHM CCCCCCCCc1nnc([N-]C(=O)c2cncnc2)s1 ZINC000273625184 432617967 /nfs/dbraw/zinc/61/79/67/432617967.db2.gz PFWOQQIGBNDYHN-UHFFFAOYSA-N -1 3 319.434 3.483 20 30 DGEDHM C[C@H](C#N)CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263685232 432566085 /nfs/dbraw/zinc/56/60/85/432566085.db2.gz OIZDUCVQAOLMOA-CQSZACIVSA-N -1 3 308.381 3.215 20 30 DGEDHM C#CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCCC1 ZINC000155812671 432575225 /nfs/dbraw/zinc/57/52/25/432575225.db2.gz MDXGAEAHWLRPSC-UHFFFAOYSA-N -1 3 321.380 3.047 20 30 DGEDHM N#Cc1cc2c(nc1[N-]C(=O)c1coc(C3CCC3)n1)CCCC2 ZINC000194816524 432578574 /nfs/dbraw/zinc/57/85/74/432578574.db2.gz PHPSKXYAYIIESS-UHFFFAOYSA-N -1 3 322.368 3.340 20 30 DGEDHM C#CCCCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000186339373 432584364 /nfs/dbraw/zinc/58/43/64/432584364.db2.gz LFUXKXIMCXFHME-UHFFFAOYSA-N -1 3 307.806 3.325 20 30 DGEDHM C=CC[C@@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187078213 432644652 /nfs/dbraw/zinc/64/46/52/432644652.db2.gz SHOMQWNQCYJHMA-CYBMUJFWSA-N -1 3 309.365 3.318 20 30 DGEDHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000187579021 432671705 /nfs/dbraw/zinc/67/17/05/432671705.db2.gz JSCUXIDUOGJNEQ-UHFFFAOYSA-N -1 3 304.346 3.061 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C[C@@H](C)Sc2ccccc2)c1[O-] ZINC000266371535 432757838 /nfs/dbraw/zinc/75/78/38/432757838.db2.gz VLHYLMUHOFEKCB-SGEFVQMOSA-N -1 3 316.426 3.188 20 30 DGEDHM C[C@H](C#N)CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000265853938 432738443 /nfs/dbraw/zinc/73/84/43/432738443.db2.gz ZSSOWYHHSRRXHS-CQSZACIVSA-N -1 3 324.380 3.203 20 30 DGEDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160769467 432741147 /nfs/dbraw/zinc/74/11/47/432741147.db2.gz GNABVMGBCSWWIA-PWSUYJOCSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2F)ccc1C#N ZINC000235769023 432743802 /nfs/dbraw/zinc/74/38/02/432743802.db2.gz HNUHAZQJVIYMOZ-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1C#N ZINC000235894933 432745609 /nfs/dbraw/zinc/74/56/09/432745609.db2.gz YCJYMPMDFCTYCB-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C[C@]1(c2cccc(C(=O)NC3CCCCC3)c2)NC(=O)[N-]C1=O ZINC000330252087 432899380 /nfs/dbraw/zinc/89/93/80/432899380.db2.gz IEVVZGDEGJAIOV-QGZVFWFLSA-N -1 3 315.373 3.423 20 30 DGEDHM C=C[C@](C)(CCOC)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000289083834 432920569 /nfs/dbraw/zinc/92/05/69/432920569.db2.gz JBZDLHMKONFTJB-QGZVFWFLSA-N -1 3 318.373 3.321 20 30 DGEDHM CC(C)Oc1ccc(NC([O-])=NOC/C=C/Cl)cc1C#N ZINC000290090087 432991659 /nfs/dbraw/zinc/99/16/59/432991659.db2.gz JIEJNPYEIOPTBH-ZZXKWVIFSA-N -1 3 309.753 3.151 20 30 DGEDHM CC(C)Oc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1C#N ZINC000290090087 432991665 /nfs/dbraw/zinc/99/16/65/432991665.db2.gz JIEJNPYEIOPTBH-ZZXKWVIFSA-N -1 3 309.753 3.151 20 30 DGEDHM C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000298104363 433049914 /nfs/dbraw/zinc/04/99/14/433049914.db2.gz LQRHIKZDBCIWOC-CQSZACIVSA-N -1 3 313.401 3.248 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1C ZINC000361511545 433217942 /nfs/dbraw/zinc/21/79/42/433217942.db2.gz SRAURQZTKDNHLG-AWEZNQCLSA-N -1 3 304.353 3.075 20 30 DGEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426738099 433580642 /nfs/dbraw/zinc/58/06/42/433580642.db2.gz STUIIGCNQNZLMO-HNNXBMFYSA-N -1 3 300.745 3.127 20 30 DGEDHM C=CCN(CCC#N)Cc1cc(Br)cc(C)c1[O-] ZINC000292677132 433587664 /nfs/dbraw/zinc/58/76/64/433587664.db2.gz AJHVMXJJNQIBIV-UHFFFAOYSA-N -1 3 309.207 3.365 20 30 DGEDHM C=CC[C@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000426809696 433606801 /nfs/dbraw/zinc/60/68/01/433606801.db2.gz WLTNLTLLLOSMNJ-ZDUSSCGKSA-N -1 3 307.296 3.344 20 30 DGEDHM C=CCC1(C(=O)Nc2nnc(-c3ccccn3)[n-]2)CCCCC1 ZINC000449809012 433815121 /nfs/dbraw/zinc/81/51/21/433815121.db2.gz ABQYTCRIVVIFLG-UHFFFAOYSA-N -1 3 311.389 3.332 20 30 DGEDHM C=CCC1(C(=O)Nc2nc(-c3ccccn3)n[n-]2)CCCCC1 ZINC000449809012 433815131 /nfs/dbraw/zinc/81/51/31/433815131.db2.gz ABQYTCRIVVIFLG-UHFFFAOYSA-N -1 3 311.389 3.332 20 30 DGEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccccn3)n2)CCCCC1 ZINC000449809012 433815143 /nfs/dbraw/zinc/81/51/43/433815143.db2.gz ABQYTCRIVVIFLG-UHFFFAOYSA-N -1 3 311.389 3.332 20 30 DGEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cccc(C)c1[O-] ZINC000436630344 434043668 /nfs/dbraw/zinc/04/36/68/434043668.db2.gz MTFOSYSRTHYHBZ-UHFFFAOYSA-N -1 3 315.369 3.004 20 30 DGEDHM COc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000352874546 434061573 /nfs/dbraw/zinc/06/15/73/434061573.db2.gz DTNJMNBDWOZGCQ-UHFFFAOYSA-N -1 3 322.773 3.021 20 30 DGEDHM CC(C)(C#N)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436719870 434080533 /nfs/dbraw/zinc/08/05/33/434080533.db2.gz ISUADCVADFCQKD-UHFFFAOYSA-N -1 3 322.408 3.457 20 30 DGEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000416531900 434132911 /nfs/dbraw/zinc/13/29/11/434132911.db2.gz PQKFXWHHJHZUAA-UHFFFAOYSA-N -1 3 321.229 3.212 20 30 DGEDHM Cc1cc(C(=O)Nc2ccccc2[O-])nn1-c1cccc(C#N)c1 ZINC000436917427 434166005 /nfs/dbraw/zinc/16/60/05/434166005.db2.gz ZDOCDQYXQCRPFU-UHFFFAOYSA-N -1 3 318.336 3.010 20 30 DGEDHM CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000328897666 434324775 /nfs/dbraw/zinc/32/47/75/434324775.db2.gz CUPUYYQFCQXZHL-IUODEOHRSA-N -1 3 315.373 3.283 20 30 DGEDHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000388852489 434339964 /nfs/dbraw/zinc/33/99/64/434339964.db2.gz BPEPDJAKMOCKBD-YPMHNXCESA-N -1 3 312.822 3.069 20 30 DGEDHM CCc1c([N-]C(=O)c2cc(C#N)cs2)onc1C(F)(F)F ZINC000287649954 434418458 /nfs/dbraw/zinc/41/84/58/434418458.db2.gz ARYGPMBBVRWCFO-UHFFFAOYSA-N -1 3 315.276 3.441 20 30 DGEDHM Cc1c(Br)ccc([O-])c1NC(=O)CC(C)(C)C#N ZINC000296009063 434475351 /nfs/dbraw/zinc/47/53/51/434475351.db2.gz KIJULBBBQISYMB-UHFFFAOYSA-N -1 3 311.179 3.342 20 30 DGEDHM CCOc1cc(-c2noc(-c3ccc(C#N)cc3)n2)ccc1[O-] ZINC000445428051 434799267 /nfs/dbraw/zinc/79/92/67/434799267.db2.gz UGNOSMSMGWYJTJ-UHFFFAOYSA-N -1 3 307.309 3.380 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3noc4c3CCCC4)[nH]c21 ZINC000522830245 434933536 /nfs/dbraw/zinc/93/35/36/434933536.db2.gz VLBPDIYNGOMCHL-GFCCVEGCSA-N -1 3 320.352 3.228 20 30 DGEDHM N#CCCC[C@@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000492851097 435062175 /nfs/dbraw/zinc/06/21/75/435062175.db2.gz HOCPUAFYBSKYLB-HJCTWCACSA-N -1 3 321.380 3.352 20 30 DGEDHM C=CCCc1ccccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000580570293 435236924 /nfs/dbraw/zinc/23/69/24/435236924.db2.gz UGEFXBLRBKRYHT-UHFFFAOYSA-N -1 3 309.369 3.431 20 30 DGEDHM C=CCC1(CNC(=O)c2c[n-]nc2-c2ccccn2)CCCC1 ZINC000584156856 435280050 /nfs/dbraw/zinc/28/00/50/435280050.db2.gz UCFLBFOKQWXETC-UHFFFAOYSA-N -1 3 310.401 3.338 20 30 DGEDHM C=C(C)C(C)(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431347 435296777 /nfs/dbraw/zinc/29/67/77/435296777.db2.gz RKUHNJZCCRZHJV-UHFFFAOYSA-N -1 3 309.719 3.062 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431739 435297409 /nfs/dbraw/zinc/29/74/09/435297409.db2.gz BUHGCRFSZJLMLO-MRVPVSSYSA-N -1 3 309.719 3.062 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccn1C ZINC000643778771 435370241 /nfs/dbraw/zinc/37/02/41/435370241.db2.gz NAJUTWQFPKKGFJ-LBPRGKRZSA-N -1 3 307.275 3.237 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000540483612 435603496 /nfs/dbraw/zinc/60/34/96/435603496.db2.gz LJZPNGWEVCZVFO-LLVKDONJSA-N -1 3 312.822 3.235 20 30 DGEDHM N#CC(=C([O-])c1cn2ccccc2n1)c1nc(C2CC2)cs1 ZINC000647374690 436033570 /nfs/dbraw/zinc/03/35/70/436033570.db2.gz IZQHKQUMOKJPDZ-LLVKDONJSA-N -1 3 308.366 3.158 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCCO[C@@H](CC)c1ccccc1 ZINC000651191377 436136280 /nfs/dbraw/zinc/13/62/80/436136280.db2.gz WMTXTXMUPNTPGT-AWEZNQCLSA-N -1 3 319.430 3.430 20 30 DGEDHM CC(C)c1csc(C(C#N)=C([O-])c2c(C3CC3)cnn2C)n1 ZINC000659115442 436461981 /nfs/dbraw/zinc/46/19/81/436461981.db2.gz WCCBBYSMGLTVDV-NSHDSACASA-N -1 3 314.414 3.367 20 30 DGEDHM CCc1cccc(C(=O)NC2(c3cccc(C#N)c3)CC2)c1[O-] ZINC000563984636 315151493 /nfs/dbraw/zinc/15/14/93/315151493.db2.gz SJFHLNRREIRIRS-UHFFFAOYSA-N -1 3 306.365 3.245 20 30 DGEDHM Cc1csc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)c1C#N ZINC000577657872 316257649 /nfs/dbraw/zinc/25/76/49/316257649.db2.gz LRDYNPPNJFKPOW-JTQLQIEISA-N -1 3 319.411 3.489 20 30 DGEDHM N#Cc1cc2c(nc1[N-]C(=O)c1ccc(Cl)o1)CCCC2 ZINC000182659024 323307270 /nfs/dbraw/zinc/30/72/70/323307270.db2.gz KJQIBHSMILRMPF-UHFFFAOYSA-N -1 3 301.733 3.331 20 30 DGEDHM N#CC1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000562436510 332593862 /nfs/dbraw/zinc/59/38/62/332593862.db2.gz FESSPGNGICASPP-UHFFFAOYSA-N -1 3 306.365 3.017 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2cccc([C@@H]3CCOC3)c2)n1 ZINC000534923871 334348945 /nfs/dbraw/zinc/34/89/45/334348945.db2.gz YLMVPRDZYFCTSF-CABCVRRESA-N -1 3 312.394 3.446 20 30 DGEDHM Cc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)n1C ZINC000136538361 341261422 /nfs/dbraw/zinc/26/14/22/341261422.db2.gz BXRMYJHCUMMIAW-GFCCVEGCSA-N -1 3 322.393 3.342 20 30 DGEDHM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000338629583 534491850 /nfs/dbraw/zinc/49/18/50/534491850.db2.gz ZPQKPQLLBLPHQL-HNNXBMFYSA-N -1 3 320.327 3.205 20 30 DGEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc([O-])c(C)c1 ZINC000342373667 526558533 /nfs/dbraw/zinc/55/85/33/526558533.db2.gz MRRUFRGFKZTQFB-UHFFFAOYSA-N -1 3 315.369 3.004 20 30 DGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000345044173 526999921 /nfs/dbraw/zinc/99/99/21/526999921.db2.gz TVQJPPZTVGQGBL-UHFFFAOYSA-N -1 3 318.801 3.087 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccccc1-c1csc(C)n1 ZINC000355881984 527421161 /nfs/dbraw/zinc/42/11/61/527421161.db2.gz JQRGVGGRSJEGAN-UHFFFAOYSA-N -1 3 308.428 3.436 20 30 DGEDHM CC(C)(C#N)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000355613768 527493001 /nfs/dbraw/zinc/49/30/01/527493001.db2.gz YIPNADNSRUZFQN-UHFFFAOYSA-N -1 3 321.340 3.118 20 30 DGEDHM CC(C)(C#N)c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000355613768 527493010 /nfs/dbraw/zinc/49/30/10/527493010.db2.gz YIPNADNSRUZFQN-UHFFFAOYSA-N -1 3 321.340 3.118 20 30 DGEDHM CC(C)(C#N)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000355613768 527493013 /nfs/dbraw/zinc/49/30/13/527493013.db2.gz YIPNADNSRUZFQN-UHFFFAOYSA-N -1 3 321.340 3.118 20 30 DGEDHM CC(C)c1cc(C(=O)Nc2ncn(C)n2)c([O-])c(C(C)C)c1 ZINC000330743710 528042565 /nfs/dbraw/zinc/04/25/65/528042565.db2.gz QSBGMEUSDAUSGQ-UHFFFAOYSA-N -1 3 302.378 3.404 20 30 DGEDHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172589412 528554975 /nfs/dbraw/zinc/55/49/75/528554975.db2.gz IMTYUBRPNBVHPB-UHFFFAOYSA-N -1 3 316.382 3.066 20 30 DGEDHM CCCCO[C@@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000176414310 528638361 /nfs/dbraw/zinc/63/83/61/528638361.db2.gz UYJJJPRXEQXFTF-AHMGIAEWSA-N -1 3 307.390 3.206 20 30 DGEDHM CCC(CC)[C@@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)CCO1 ZINC000182048908 528837711 /nfs/dbraw/zinc/83/77/11/528837711.db2.gz NJHFORGVZCETFQ-WBVWMSPBSA-N -1 3 307.390 3.206 20 30 DGEDHM CCC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCOCC1 ZINC000331317644 529033177 /nfs/dbraw/zinc/03/31/77/529033177.db2.gz DHAGSGVIXDEQSA-UHFFFAOYSA-N -1 3 305.374 3.106 20 30 DGEDHM O=C(NCC#Cc1cccc(F)c1)c1cc([O-])c2ccccc2c1 ZINC000513914598 546953248 /nfs/dbraw/zinc/95/32/48/546953248.db2.gz HNPUPWJZEPYXMK-UHFFFAOYSA-N -1 3 319.335 3.466 20 30 DGEDHM C=CCOCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000679588017 548923663 /nfs/dbraw/zinc/92/36/63/548923663.db2.gz JACJUWPOUDWJBM-UHFFFAOYSA-N -1 3 313.353 3.117 20 30 DGEDHM COCc1cncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000680933876 549131228 /nfs/dbraw/zinc/13/12/28/549131228.db2.gz FVQZRZGXFRGVPU-INIZCTEOSA-N -1 3 317.348 3.266 20 30 DGEDHM CN(C)c1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)ccn1 ZINC000681352577 549194998 /nfs/dbraw/zinc/19/49/98/549194998.db2.gz WEWSPMSUFJARMS-HNNXBMFYSA-N -1 3 316.364 3.186 20 30 DGEDHM N#Cc1ccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)nc1 ZINC000730743370 574535028 /nfs/dbraw/zinc/53/50/28/574535028.db2.gz NOKZJKHURVKFHY-UHFFFAOYSA-N -1 3 313.386 3.105 20 30 DGEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNc1cc(F)c(F)cc1F ZINC000734301808 574655503 /nfs/dbraw/zinc/65/55/03/574655503.db2.gz QEKSTHNHIZABJM-UHFFFAOYSA-N -1 3 323.249 3.320 20 30 DGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000735206110 574692401 /nfs/dbraw/zinc/69/24/01/574692401.db2.gz JDJXEEVMROAHCE-WYGGZMRJSA-N -1 3 308.740 3.483 20 30 DGEDHM C=C(Br)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000735398640 574700832 /nfs/dbraw/zinc/70/08/32/574700832.db2.gz MQTGMBCPNMZQGI-UHFFFAOYSA-N -1 3 315.171 3.007 20 30 DGEDHM C=C(Br)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000735398640 574700834 /nfs/dbraw/zinc/70/08/34/574700834.db2.gz MQTGMBCPNMZQGI-UHFFFAOYSA-N -1 3 315.171 3.007 20 30 DGEDHM C=CCCC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735408581 574700942 /nfs/dbraw/zinc/70/09/42/574700942.db2.gz PCXARZOUISLWLO-UHFFFAOYSA-N -1 3 320.352 3.405 20 30 DGEDHM C=CCCC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735408581 574700945 /nfs/dbraw/zinc/70/09/45/574700945.db2.gz PCXARZOUISLWLO-UHFFFAOYSA-N -1 3 320.352 3.405 20 30 DGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000735451269 574703295 /nfs/dbraw/zinc/70/32/95/574703295.db2.gz WFWAAWLJOAFLDJ-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000735451269 574703296 /nfs/dbraw/zinc/70/32/96/574703296.db2.gz WFWAAWLJOAFLDJ-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2cccc(F)c2)c1[O-] ZINC000735619720 574710092 /nfs/dbraw/zinc/71/00/92/574710092.db2.gz PXRXZTWDARLUNI-UKWGHVSLSA-N -1 3 316.376 3.124 20 30 DGEDHM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736495283 574755443 /nfs/dbraw/zinc/75/54/43/574755443.db2.gz VIWBQYSVRWUKDJ-GOSISDBHSA-N -1 3 324.380 3.261 20 30 DGEDHM C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)Cc2ccccc21 ZINC000736809688 574807047 /nfs/dbraw/zinc/80/70/47/574807047.db2.gz QYQRATLZBXMENI-ACJLOTCBSA-N -1 3 306.365 3.303 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736816704 574807469 /nfs/dbraw/zinc/80/74/69/574807469.db2.gz OLLWBEDUXXRRCG-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736816704 574807470 /nfs/dbraw/zinc/80/74/70/574807470.db2.gz OLLWBEDUXXRRCG-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM COc1ccc(C=CC(=O)C2CCCCC2)cc1-c1nnn[n-]1 ZINC000737082005 574822648 /nfs/dbraw/zinc/82/26/48/574822648.db2.gz GWYQHAUKEVKXMJ-VQHVLOKHSA-N -1 3 312.373 3.038 20 30 DGEDHM COc1ccc(C=CC(=O)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000737082005 574822651 /nfs/dbraw/zinc/82/26/51/574822651.db2.gz GWYQHAUKEVKXMJ-VQHVLOKHSA-N -1 3 312.373 3.038 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1ccc(C#N)cc1F ZINC000737222297 574827337 /nfs/dbraw/zinc/82/73/37/574827337.db2.gz WNAWAXOIIZIIFH-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(C#N)cc1F ZINC000737222297 574827338 /nfs/dbraw/zinc/82/73/38/574827338.db2.gz WNAWAXOIIZIIFH-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737263976 574834716 /nfs/dbraw/zinc/83/47/16/574834716.db2.gz YIMNGWYVAKXMPI-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737263976 574834719 /nfs/dbraw/zinc/83/47/19/574834719.db2.gz YIMNGWYVAKXMPI-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM CC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccc(F)cc1F ZINC000737440801 574843927 /nfs/dbraw/zinc/84/39/27/574843927.db2.gz QFZCHQAOJFSJTL-IKVOSHDESA-N -1 3 320.339 3.436 20 30 DGEDHM COc1ccc(C=NNc2cccc(C(F)(F)F)n2)c([O-])c1 ZINC000739422344 574902881 /nfs/dbraw/zinc/90/28/81/574902881.db2.gz WZWHUNKOBPVNMN-UHFFFAOYSA-N -1 3 311.263 3.261 20 30 DGEDHM CCOc1ccc(/C=N/C[C@](C)(O)c2cc(C)oc2C)c([O-])c1 ZINC000741466099 574958581 /nfs/dbraw/zinc/95/85/81/574958581.db2.gz DLNDLGLPBJYTGG-JHBOHYQCSA-N -1 3 317.385 3.327 20 30 DGEDHM C[C@@H](CN1CCN(c2ccccc2)CC1)/N=C/c1ccccc1[O-] ZINC000741466533 574958646 /nfs/dbraw/zinc/95/86/46/574958646.db2.gz UVACITCVFPEJML-LBSLPOPVSA-N -1 3 323.440 3.022 20 30 DGEDHM COc1ccc(O[C@@H](C)C/N=C/c2c([O-])cccc2OC)cc1 ZINC000743044455 575032934 /nfs/dbraw/zinc/03/29/34/575032934.db2.gz JXHQLTLEXKAEJZ-HCZVKUGISA-N -1 3 315.369 3.296 20 30 DGEDHM C#CCCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000743731201 575062442 /nfs/dbraw/zinc/06/24/42/575062442.db2.gz MPNIBPFYZYQMKF-UHFFFAOYSA-N -1 3 309.365 3.114 20 30 DGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])C=CC1CC1 ZINC000744032003 575069033 /nfs/dbraw/zinc/06/90/33/575069033.db2.gz GRBJHNPUXAYQTA-ZTYXWKCZSA-N -1 3 306.724 3.093 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C ZINC000744033937 575069453 /nfs/dbraw/zinc/06/94/53/575069453.db2.gz YYZYGLJJVNJWAE-RSKUSDAESA-N -1 3 314.385 3.335 20 30 DGEDHM CSc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000738211832 575283495 /nfs/dbraw/zinc/28/34/95/575283495.db2.gz LNYJKRORYNSETO-INIZCTEOSA-N -1 3 312.394 3.196 20 30 DGEDHM [O-]c1c(O)ccc(C=NNc2ccc(C(F)(F)F)cc2)c1O ZINC000746576918 575288094 /nfs/dbraw/zinc/28/80/94/575288094.db2.gz RLQGJIYKCQDVNA-UHFFFAOYSA-N -1 3 312.247 3.268 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CCCc2cccc(Cl)c2)c1[O-] ZINC000745625417 575407193 /nfs/dbraw/zinc/40/71/93/575407193.db2.gz ADVNPOKWBSBNPU-GRSHGNNSSA-N -1 3 318.804 3.293 20 30 DGEDHM [O-]c1c(O)ccc(/C=N\Cc2ccccc2C(F)(F)F)c1O ZINC000745624972 575407384 /nfs/dbraw/zinc/40/73/84/575407384.db2.gz QRONNNHERGJBBW-UWVJOHFNSA-N -1 3 311.259 3.441 20 30 DGEDHM COc1ccc(CNCc2ccc([O-])c(Cl)c2)cc1C#N ZINC000746743030 575472896 /nfs/dbraw/zinc/47/28/96/575472896.db2.gz VDAMFFLJVWFTOG-UHFFFAOYSA-N -1 3 302.761 3.216 20 30 DGEDHM COc1cccc(C=NNc2cc([N+](=O)[O-])ccc2C)c1[O-] ZINC000747061514 575494066 /nfs/dbraw/zinc/49/40/66/575494066.db2.gz JIJVJACAHLZDIC-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1cccc(F)n1 ZINC000747689963 575533024 /nfs/dbraw/zinc/53/30/24/575533024.db2.gz BUSWXRRKUUVLBI-FRKPEAEDSA-N -1 3 309.138 3.308 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)c2ccccc2F)c1[O-] ZINC000749748353 575674894 /nfs/dbraw/zinc/67/48/94/575674894.db2.gz CDFYQZJMTYMUSK-AWQFTUOYSA-N -1 3 316.376 3.124 20 30 DGEDHM CCOc1ccc(/C=N/[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c([O-])c1 ZINC000749931679 575689016 /nfs/dbraw/zinc/68/90/16/575689016.db2.gz SZZVTYKMKOKPRX-DOUVEPRSSA-N -1 3 323.458 3.290 20 30 DGEDHM COc1cccc([O-])c1/C=N\CCc1ccn(-c2ccccc2)n1 ZINC000750948128 575764328 /nfs/dbraw/zinc/76/43/28/575764328.db2.gz HCGXEICAJNBNFJ-ZHZULCJRSA-N -1 3 321.380 3.248 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2c(c1)nnn2C ZINC000751032638 575768325 /nfs/dbraw/zinc/76/83/25/575768325.db2.gz RWEBQKYLBBZHSM-FKVCUQLRSA-N -1 3 323.327 3.196 20 30 DGEDHM C[C@H](NC(=S)NN=Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000751532498 575789113 /nfs/dbraw/zinc/78/91/13/575789113.db2.gz YSFIZFACHHUZLK-NSHDSACASA-N -1 3 313.426 3.142 20 30 DGEDHM C[C@H](/N=C/c1ccc(O)c([O-])c1O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000752153057 575824956 /nfs/dbraw/zinc/82/49/56/575824956.db2.gz WRMUPFGQMGRBKS-ILIHDPKRSA-N -1 3 313.353 3.176 20 30 DGEDHM COc1cccc([O-])c1/C=N/Cc1nc(C)c2ccccc2n1 ZINC000726429844 576022171 /nfs/dbraw/zinc/02/21/71/576022171.db2.gz RZPMFMNUAGFGED-VXLYETTFSA-N -1 3 307.353 3.272 20 30 DGEDHM COc1cccc([O-])c1C=NNc1ccc(OC(F)F)cc1 ZINC000726427110 576022858 /nfs/dbraw/zinc/02/28/58/576022858.db2.gz QEIPIVYVLGNZMY-UHFFFAOYSA-N -1 3 308.284 3.448 20 30 DGEDHM COc1ccc(CC/N=C/c2c([O-])cccc2OC)cc1F ZINC000728225949 576170312 /nfs/dbraw/zinc/17/03/12/576170312.db2.gz AZJZGCBCUQYWEL-YBFXNURJSA-N -1 3 303.333 3.210 20 30 DGEDHM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc([O-])c(F)c1 ZINC000728429790 576181285 /nfs/dbraw/zinc/18/12/85/576181285.db2.gz QBISOYCJJBMFEJ-UHFFFAOYSA-N -1 3 312.304 3.417 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2ccc(F)cc2)c1[O-] ZINC000728438259 576181825 /nfs/dbraw/zinc/18/18/25/576181825.db2.gz RCEBFXVRJFUUAY-UKWGHVSLSA-N -1 3 316.376 3.124 20 30 DGEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccoc1 ZINC000916902826 620649306 /nfs/dbraw/zinc/64/93/06/620649306.db2.gz IBHYBNWELLQPAC-OAHLLOKOSA-N -1 3 310.353 3.366 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CC1SCCS1 ZINC000852999335 620658983 /nfs/dbraw/zinc/65/89/83/620658983.db2.gz ZLTBHLFOMRQKMG-AWNIVKPZSA-N -1 3 318.261 3.380 20 30 DGEDHM C=CCOc1ccc(CN2CCC[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263404350 604524486 /nfs/dbraw/zinc/52/44/86/604524486.db2.gz JDJARUSHBGPOQP-CYBMUJFWSA-N -1 3 309.793 3.201 20 30 DGEDHM Cc1csc([N-]C(=O)c2coc3c2C(=O)CCC3)c1C#N ZINC000890896208 617700240 /nfs/dbraw/zinc/70/02/40/617700240.db2.gz HKDHYLQWXUQYBN-UHFFFAOYSA-N -1 3 300.339 3.293 20 30 DGEDHM C=C[C@@H](C)ON=Cc1cc(Br)c([O-])c(OC)c1 ZINC000844623436 617723375 /nfs/dbraw/zinc/72/33/75/617723375.db2.gz NKKUZAUJSVJFFX-MRVPVSSYSA-N -1 3 300.152 3.088 20 30 DGEDHM CC[C@@H](NCc1cn2ccc(C)cc2n1)c1cccc(C#N)c1[O-] ZINC000924950460 618747326 /nfs/dbraw/zinc/74/73/26/618747326.db2.gz OGNDZNDNQWQEMX-QGZVFWFLSA-N -1 3 320.396 3.461 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCc3c(F)cccc32)c1[O-] ZINC000840704624 618963583 /nfs/dbraw/zinc/96/35/83/618963583.db2.gz ADWYLZUFUBBHPR-INLLTYMYSA-N -1 3 314.360 3.224 20 30 DGEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccnn1C1CCC1 ZINC000899397466 619335696 /nfs/dbraw/zinc/33/56/96/619335696.db2.gz QEJQQQNVCHUZAF-GQCTYLIASA-N -1 3 304.296 3.488 20 30 DGEDHM C[C@H](C(=O)N([O-])Cc1cccc2ccccc21)c1cnn(C)c1 ZINC000900091597 619404078 /nfs/dbraw/zinc/40/40/78/619404078.db2.gz CVNQJLGWUTUQFK-ZDUSSCGKSA-N -1 3 309.369 3.095 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)nc(C)n1 ZINC000900094356 619404284 /nfs/dbraw/zinc/40/42/84/619404284.db2.gz MLZARRPJGFTMSZ-UHFFFAOYSA-N -1 3 307.353 3.278 20 30 DGEDHM Cc1nc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c[nH]1 ZINC000900097039 619404731 /nfs/dbraw/zinc/40/47/31/619404731.db2.gz YZOJLNLSHYLWCS-UHFFFAOYSA-N -1 3 300.145 3.057 20 30 DGEDHM O=C(Cc1cscn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096628 619404752 /nfs/dbraw/zinc/40/47/52/619404752.db2.gz KOVAUUXGJAUKGA-UHFFFAOYSA-N -1 3 317.197 3.410 20 30 DGEDHM CC(C)c1nc(C#N)c(N=NC(C)c2cc([O-])cc(F)c2)o1 ZINC000901180268 619474882 /nfs/dbraw/zinc/47/48/82/619474882.db2.gz ULYYYLHVIGZBHA-UHFFFAOYSA-N -1 3 302.309 3.350 20 30 DGEDHM Cn1ncc(Cl)c1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369408 619490564 /nfs/dbraw/zinc/49/05/64/619490564.db2.gz BZOGFSWUVZTUDE-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM CCc1nnsc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371491 619490762 /nfs/dbraw/zinc/49/07/62/619490762.db2.gz VHFXTGHKXGENFI-UHFFFAOYSA-N -1 3 313.382 3.285 20 30 DGEDHM C[C@@H]1C[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CO1 ZINC000901379454 619492710 /nfs/dbraw/zinc/49/27/10/619492710.db2.gz ZWFAEEGGBYKWDP-PSASIEDQSA-N -1 3 304.173 3.136 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnn(CCF)c1 ZINC000901454707 619502290 /nfs/dbraw/zinc/50/22/90/619502290.db2.gz VRHCVNPYFRGVKU-NJQKBMNKSA-N -1 3 304.296 3.081 20 30 DGEDHM CCOc1cc(/C=C/C(=O)c2cc(C)n(C)n2)cc(Cl)c1[O-] ZINC000901557690 619515638 /nfs/dbraw/zinc/51/56/38/619515638.db2.gz WFWQFPLUGNUNLP-AATRIKPKSA-N -1 3 320.776 3.382 20 30 DGEDHM C=CCC[C@@H](NCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000901690545 619534090 /nfs/dbraw/zinc/53/40/90/619534090.db2.gz POUNQJBHFZMWMS-LLVKDONJSA-N -1 3 319.735 3.450 20 30 DGEDHM C=CCN(CCC(C)(C)C(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000902197096 619601569 /nfs/dbraw/zinc/60/15/69/619601569.db2.gz ZKHQHQJAVJFVKU-UHFFFAOYSA-N -1 3 306.362 3.084 20 30 DGEDHM O=C(c1cc(F)c[nH]c1=O)N([O-])Cc1cccc2ccccc21 ZINC000904152903 619887722 /nfs/dbraw/zinc/88/77/22/619887722.db2.gz WMZAIUPRDQQXGO-UHFFFAOYSA-N -1 3 312.300 3.111 20 30 DGEDHM Cn1nc2c(c1C(=O)N([O-])Cc1cccc3ccccc31)CCC2 ZINC000904172477 619891796 /nfs/dbraw/zinc/89/17/96/619891796.db2.gz BPCMLSVRVKRZRK-UHFFFAOYSA-N -1 3 321.380 3.094 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC000904207136 619893472 /nfs/dbraw/zinc/89/34/72/619893472.db2.gz RMZIUVXKGPFODQ-HUUCEWRRSA-N -1 3 305.374 3.089 20 30 DGEDHM CCCCCCN([O-])C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000904207175 619893621 /nfs/dbraw/zinc/89/36/21/619893621.db2.gz TWPZJQRJHXBEQE-UHFFFAOYSA-N -1 3 315.364 3.496 20 30 DGEDHM CCCCN([O-])C(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000904208583 619893961 /nfs/dbraw/zinc/89/39/61/619893961.db2.gz BHSZBNLKZPYVJA-UHFFFAOYSA-N -1 3 316.357 3.271 20 30 DGEDHM CCCCN([O-])C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000904208793 619894006 /nfs/dbraw/zinc/89/40/06/619894006.db2.gz KNYYHPXPDKIPAM-UHFFFAOYSA-N -1 3 303.362 3.077 20 30 DGEDHM O=C(CCCOc1cccnc1)N([O-])Cc1ccccc1Cl ZINC000904189021 619894665 /nfs/dbraw/zinc/89/46/65/619894665.db2.gz WOOZOWYLNGMRCH-UHFFFAOYSA-N -1 3 320.776 3.312 20 30 DGEDHM C[C@@H](CC(=O)N([O-])CCCCc1ccccc1)c1cnn(C)c1 ZINC000904195343 619896225 /nfs/dbraw/zinc/89/62/25/619896225.db2.gz CATSYKGFLGXHRD-HNNXBMFYSA-N -1 3 315.417 3.154 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000906723027 620116783 /nfs/dbraw/zinc/11/67/83/620116783.db2.gz YYJHDSNBUGLVOZ-WBMJQRKESA-N -1 3 322.355 3.376 20 30 DGEDHM CC(=O)c1cccc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1[O-] ZINC000908209242 620193971 /nfs/dbraw/zinc/19/39/71/620193971.db2.gz YVOWAPUPBUGLHA-PWGQDJSOSA-N -1 3 312.369 3.253 20 30 DGEDHM CC(=O)c1cccc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c1[O-] ZINC000908209241 620193975 /nfs/dbraw/zinc/19/39/75/620193975.db2.gz YVOWAPUPBUGLHA-KJBLDROHSA-N -1 3 312.369 3.253 20 30 DGEDHM COc1cc(/C=C/C(=O)c2cc(O)cc(O)c2)cc(Cl)c1[O-] ZINC000152692802 620518650 /nfs/dbraw/zinc/51/86/50/620518650.db2.gz BAVHUMGVEUTESL-NSCUHMNNSA-N -1 3 320.728 3.362 20 30 DGEDHM N#CCOc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153490790 620571130 /nfs/dbraw/zinc/57/11/30/620571130.db2.gz IUTOMKPKVYYPKR-UHFFFAOYSA-N -1 3 302.717 3.200 20 30 DGEDHM CCOC(=O)Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000915978492 620610635 /nfs/dbraw/zinc/61/06/35/620610635.db2.gz GQSMLYFQXCBLEH-UHFFFAOYSA-N -1 3 316.313 3.122 20 30 DGEDHM CCN(CC)c1ccc(C=[NH+][N-]c2ccc(Cl)nn2)c([O-])c1 ZINC000916287507 620624439 /nfs/dbraw/zinc/62/44/39/620624439.db2.gz BADDOYJYUTUQHT-UHFFFAOYSA-N -1 3 319.796 3.128 20 30 DGEDHM CC(C)CCc1nnc([N-]C(=O)c2cc(C#N)ccc2F)s1 ZINC000855190876 620878516 /nfs/dbraw/zinc/87/85/16/620878516.db2.gz PGBXMXFCFMNPTK-UHFFFAOYSA-N -1 3 318.377 3.390 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1cc(Cl)ccc1Br ZINC000856031937 620955220 /nfs/dbraw/zinc/95/52/20/620955220.db2.gz DGMKVXVUDNKJRV-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM CC(C)(C#N)CCOC(=O)c1cc([O-])cc(Br)c1 ZINC000860202189 621381186 /nfs/dbraw/zinc/38/11/86/621381186.db2.gz OUCNHIVHKVKBHK-UHFFFAOYSA-N -1 3 312.163 3.251 20 30 DGEDHM C[C@](O)(C/N=C\c1cc(Br)ccc1[O-])c1ccco1 ZINC000741465565 621383481 /nfs/dbraw/zinc/38/34/81/621383481.db2.gz VRQHLIVSXIUXRM-XTIFCCNPSA-N -1 3 324.174 3.074 20 30 DGEDHM [O-]c1ccc(Cl)c(F)c1C=NNc1cncc(Cl)n1 ZINC000790153455 621403674 /nfs/dbraw/zinc/40/36/74/621403674.db2.gz GLCGNFXSCMAFFC-UHFFFAOYSA-N -1 3 301.108 3.074 20 30 DGEDHM CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2ccccc2c1[O-] ZINC000753936545 621472656 /nfs/dbraw/zinc/47/26/56/621472656.db2.gz VUDHKUJHFYSTNL-CALCHBBNSA-N -1 3 322.412 3.129 20 30 DGEDHM CC(C)c1ccc(NC(=S)NN=Cc2ccc([O-])cn2)cc1 ZINC000755503559 621576241 /nfs/dbraw/zinc/57/62/41/621576241.db2.gz AYHCWBHQYXGJQY-UHFFFAOYSA-N -1 3 314.414 3.231 20 30 DGEDHM [O-]c1ccc(F)cc1C=NN1C(=S)N=NC1c1cccs1 ZINC000755532414 621577735 /nfs/dbraw/zinc/57/77/35/621577735.db2.gz RBGNCJBPDGNFIJ-UHFFFAOYSA-N -1 3 320.374 3.022 20 30 DGEDHM Cn1cc2c(n1)CCCC2=NNc1nc2ccccc2[n-]c1=S ZINC000863125441 621640964 /nfs/dbraw/zinc/64/09/64/621640964.db2.gz WEYWDSLSUFVSFI-UHFFFAOYSA-N -1 3 324.413 3.178 20 30 DGEDHM C[C@H](NCc1cc(C#N)ccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756732681 621661468 /nfs/dbraw/zinc/66/14/68/621661468.db2.gz NHYJLMBYQDHXFJ-JTQLQIEISA-N -1 3 315.304 3.162 20 30 DGEDHM CSc1cc(C)ccc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000756774090 621663522 /nfs/dbraw/zinc/66/35/22/621663522.db2.gz FIFVNFPMHOAKRP-NVMNQCDNSA-N -1 3 316.426 3.237 20 30 DGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(F)cc(Cl)c1 ZINC000757304222 621698809 /nfs/dbraw/zinc/69/88/09/621698809.db2.gz JIZICJWVEWRTPH-AWEZNQCLSA-N -1 3 316.719 3.440 20 30 DGEDHM C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000757561207 621724666 /nfs/dbraw/zinc/72/46/66/621724666.db2.gz LXSMZYATJBDZRH-AWEZNQCLSA-N -1 3 323.396 3.447 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000757561208 621724890 /nfs/dbraw/zinc/72/48/90/621724890.db2.gz LXSMZYATJBDZRH-CQSZACIVSA-N -1 3 323.396 3.447 20 30 DGEDHM O=c1[n-]c(N=NC2CCCc3ccccc32)nc2ccccc21 ZINC000757588463 621726625 /nfs/dbraw/zinc/72/66/25/621726625.db2.gz FMHAPOVPZKSAOD-UHFFFAOYSA-N -1 3 304.353 3.488 20 30 DGEDHM O=c1ccc([C@@H]2OCC[C@H]2N=Cc2cc(Cl)ccc2[O-])c[nH]1 ZINC000864345910 621758798 /nfs/dbraw/zinc/75/87/98/621758798.db2.gz JILUNYAEAYECRR-SEYQBCMHSA-N -1 3 318.760 3.095 20 30 DGEDHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cc(C#N)cs1 ZINC000864528196 621779566 /nfs/dbraw/zinc/77/95/66/621779566.db2.gz MOUICJOWMMIDPU-INIZCTEOSA-N -1 3 314.410 3.488 20 30 DGEDHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cc(C#N)cs1 ZINC000864528197 621779767 /nfs/dbraw/zinc/77/97/67/621779767.db2.gz MOUICJOWMMIDPU-MRXNPFEDSA-N -1 3 314.410 3.488 20 30 DGEDHM C=C(C)C[C@H](NCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000864529524 621780261 /nfs/dbraw/zinc/78/02/61/621780261.db2.gz IVRVJPBALHJKMQ-NSHDSACASA-N -1 3 319.735 3.450 20 30 DGEDHM CCCOc1cc(F)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000759644268 621878515 /nfs/dbraw/zinc/87/85/15/621878515.db2.gz QQSOZOYIPNPPOU-UHFFFAOYSA-N -1 3 318.348 3.266 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cccc(-n3cccn3)c2)ccc1[O-] ZINC000760261722 621926097 /nfs/dbraw/zinc/92/60/97/621926097.db2.gz GUYMCNYFYKNHSS-VURMDHGXSA-N -1 3 320.348 3.483 20 30 DGEDHM C#CCOc1ccccc1-c1noc(-c2cccc(OC)c2[O-])n1 ZINC000761991219 622044019 /nfs/dbraw/zinc/04/40/19/622044019.db2.gz HNUUJEVRVRMUCP-UHFFFAOYSA-N -1 3 322.320 3.130 20 30 DGEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000764569632 622203580 /nfs/dbraw/zinc/20/35/80/622203580.db2.gz GGHQVLSHIGEISR-UHFFFAOYSA-N -1 3 319.719 3.449 20 30 DGEDHM CCC(N=Nc1ncccc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000764697504 622214071 /nfs/dbraw/zinc/21/40/71/622214071.db2.gz XLCGGSJXUAICJF-UHFFFAOYSA-N -1 3 304.281 3.061 20 30 DGEDHM COc1ccc(C/N=C/c2cc(Br)ccc2[O-])nc1 ZINC000766284931 622317175 /nfs/dbraw/zinc/31/71/75/622317175.db2.gz ZDVKSSVCFZEZFI-FRKPEAEDSA-N -1 3 321.174 3.177 20 30 DGEDHM COc1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000122514600 622338111 /nfs/dbraw/zinc/33/81/11/622338111.db2.gz BTETWUREZUFRBH-RMKNXTFCSA-N -1 3 314.337 3.314 20 30 DGEDHM N#CC[C@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871215826 622572318 /nfs/dbraw/zinc/57/23/18/622572318.db2.gz LGQSZGDDWZGPEH-CYBMUJFWSA-N -1 3 314.307 3.464 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C(C)(C)C)nn1 ZINC000790215410 625618137 /nfs/dbraw/zinc/61/81/37/625618137.db2.gz QQROFBYBZGWZAP-MDXIRLPMSA-N -1 3 315.348 3.261 20 30 DGEDHM COc1c([O-])c(CNc2cccc(C#N)c2C)ccc1[N+](=O)[O-] ZINC000775056277 623222249 /nfs/dbraw/zinc/22/22/49/623222249.db2.gz GKDJQQPLQVMLIV-UHFFFAOYSA-N -1 3 313.313 3.101 20 30 DGEDHM C#CCCCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000780653112 623965439 /nfs/dbraw/zinc/96/54/39/623965439.db2.gz WOAITAYKZFVEOK-UHFFFAOYSA-N -1 3 324.218 3.355 20 30 DGEDHM COc1cc(C)c(/C=C/C(=O)c2ccc([O-])c(OC)c2)c(C)n1 ZINC000781547592 624089897 /nfs/dbraw/zinc/08/98/97/624089897.db2.gz OASNVKMSXYUDEB-SOFGYWHQSA-N -1 3 313.353 3.317 20 30 DGEDHM N#Cc1cccc(OCCCOC(=O)c2cc3occc3[n-]2)c1 ZINC000786030601 624779922 /nfs/dbraw/zinc/77/99/22/624779922.db2.gz TYZFRCYMCJFUJB-UHFFFAOYSA-N -1 3 310.309 3.258 20 30 DGEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000797548515 626151939 /nfs/dbraw/zinc/15/19/39/626151939.db2.gz GKDHYAHLNJCJMS-CYBMUJFWSA-N -1 3 316.744 3.457 20 30 DGEDHM N#Cc1ccc(NN=Cc2ccc([O-])cn2)c(C(F)(F)F)c1 ZINC000799492901 626305375 /nfs/dbraw/zinc/30/53/75/626305375.db2.gz QKKAPOCBEYBBKJ-UHFFFAOYSA-N -1 3 306.247 3.124 20 30 DGEDHM CC(N=Nc1nccnc1C1CCC1)c1ccc([O-])c(F)c1 ZINC000807993195 626784132 /nfs/dbraw/zinc/78/41/32/626784132.db2.gz ZKWQXWAPQVCVND-UHFFFAOYSA-N -1 3 300.337 3.425 20 30 DGEDHM Cc1sc2[n-]c([C@H](C)OC(=O)CCCC#N)nc(=O)c2c1C ZINC000812618304 627404329 /nfs/dbraw/zinc/40/43/29/627404329.db2.gz OVFIWYJHVATXTH-VIFPVBQESA-N -1 3 319.386 3.312 20 30 DGEDHM N#CCOc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000815123469 627631807 /nfs/dbraw/zinc/63/18/07/627631807.db2.gz IVTYMRKZGUEWGN-UHFFFAOYSA-N -1 3 302.761 3.238 20 30 DGEDHM N#CCOc1cc(F)ccc1NC(=O)c1cc([O-])ccc1Cl ZINC000815799221 627704698 /nfs/dbraw/zinc/70/46/98/627704698.db2.gz KGGATLXMLOIDLS-UHFFFAOYSA-N -1 3 320.707 3.339 20 30 DGEDHM Cc1cc(Br)c([O-])c(CN(C)CC(C)(C)C#N)c1 ZINC000816632682 627817471 /nfs/dbraw/zinc/81/74/71/627817471.db2.gz UPJFJSGKFPRIHU-UHFFFAOYSA-N -1 3 311.223 3.445 20 30 DGEDHM CC#CCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000819764479 628186893 /nfs/dbraw/zinc/18/68/93/628186893.db2.gz HRPWMITXAJGBLP-UHFFFAOYSA-N -1 3 307.382 3.044 20 30 DGEDHM CC#CCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000819764479 628186897 /nfs/dbraw/zinc/18/68/97/628186897.db2.gz HRPWMITXAJGBLP-UHFFFAOYSA-N -1 3 307.382 3.044 20 30 DGEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccccc1 ZINC000819772833 628188342 /nfs/dbraw/zinc/18/83/42/628188342.db2.gz MBEWBWZUEZRNQG-LBPRGKRZSA-N -1 3 306.373 3.458 20 30 DGEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccccc1 ZINC000819772833 628188345 /nfs/dbraw/zinc/18/83/45/628188345.db2.gz MBEWBWZUEZRNQG-LBPRGKRZSA-N -1 3 306.373 3.458 20 30 DGEDHM C=C(C)C(C)(C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000821447411 628370204 /nfs/dbraw/zinc/37/02/04/628370204.db2.gz FPYJWCFGPVEEPM-UHFFFAOYSA-N -1 3 302.330 3.088 20 30 DGEDHM Cc1c(Cl)cccc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822034522 628417138 /nfs/dbraw/zinc/41/71/38/628417138.db2.gz FWSUPRJVURDFRD-UHFFFAOYSA-N -1 3 318.793 3.336 20 30 DGEDHM Cc1c(Cl)cccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822034522 628417140 /nfs/dbraw/zinc/41/71/40/628417140.db2.gz FWSUPRJVURDFRD-UHFFFAOYSA-N -1 3 318.793 3.336 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822204635 628429175 /nfs/dbraw/zinc/42/91/75/628429175.db2.gz VMCLAQJFLCHKPE-HYXAFXHYSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822204635 628429177 /nfs/dbraw/zinc/42/91/77/628429177.db2.gz VMCLAQJFLCHKPE-HYXAFXHYSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822196800 628429212 /nfs/dbraw/zinc/42/92/12/628429212.db2.gz XHXPUYXZSXEOOA-HYXAFXHYSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000822327340 628440963 /nfs/dbraw/zinc/44/09/63/628440963.db2.gz GTSOVFAXYFJNPM-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM Cc1cccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822327340 628440966 /nfs/dbraw/zinc/44/09/66/628440966.db2.gz GTSOVFAXYFJNPM-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM Clc1ccc2c(c1)CCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000822581091 628467362 /nfs/dbraw/zinc/46/73/62/628467362.db2.gz AGWQFDRJFIFGIZ-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM N#C[C@H](Cc1ccccc1)Sc1ccccc1-c1nnn[n-]1 ZINC000822801947 628496902 /nfs/dbraw/zinc/49/69/02/628496902.db2.gz RYUVFLIRPNYPBD-ZDUSSCGKSA-N -1 3 307.382 3.094 20 30 DGEDHM N#C[C@H](Cc1ccccc1)Sc1ccccc1-c1nn[n-]n1 ZINC000822801947 628496906 /nfs/dbraw/zinc/49/69/06/628496906.db2.gz RYUVFLIRPNYPBD-ZDUSSCGKSA-N -1 3 307.382 3.094 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1Cl ZINC000822929182 628510241 /nfs/dbraw/zinc/51/02/41/628510241.db2.gz RAFMURCXPFQIJU-ALCCZGGFSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000822934995 628510829 /nfs/dbraw/zinc/51/08/29/628510829.db2.gz FQFNRJGJNNTHPV-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000822934995 628510831 /nfs/dbraw/zinc/51/08/31/628510831.db2.gz FQFNRJGJNNTHPV-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCc2ccccc21 ZINC000823504180 628570358 /nfs/dbraw/zinc/57/03/58/628570358.db2.gz MZVMQJVJWLXAPK-PKNBQFBNSA-N -1 3 308.366 3.141 20 30 DGEDHM C#CCCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000823841097 628601673 /nfs/dbraw/zinc/60/16/73/628601673.db2.gz IUVUNAHFPBROIR-UHFFFAOYSA-N -1 3 321.409 3.434 20 30 DGEDHM C#CCCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000823841097 628601676 /nfs/dbraw/zinc/60/16/76/628601676.db2.gz IUVUNAHFPBROIR-UHFFFAOYSA-N -1 3 321.409 3.434 20 30 DGEDHM C=CCC[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894484 628608064 /nfs/dbraw/zinc/60/80/64/628608064.db2.gz RJAYTSWTRQSGGI-JNSOCZORSA-N -1 3 324.384 3.168 20 30 DGEDHM C=CCC[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894484 628608065 /nfs/dbraw/zinc/60/80/65/628608065.db2.gz RJAYTSWTRQSGGI-JNSOCZORSA-N -1 3 324.384 3.168 20 30 DGEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCCCC1 ZINC000824784228 628693441 /nfs/dbraw/zinc/69/34/41/628693441.db2.gz PHEGJYFVOIEJAE-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCCCC1 ZINC000824784228 628693443 /nfs/dbraw/zinc/69/34/43/628693443.db2.gz PHEGJYFVOIEJAE-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CCCC(CCC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825241985 628741750 /nfs/dbraw/zinc/74/17/50/628741750.db2.gz GDFVLCCANHKMNE-UHFFFAOYSA-N -1 3 307.789 3.283 20 30 DGEDHM CCCC(CCC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825241985 628741752 /nfs/dbraw/zinc/74/17/52/628741752.db2.gz GDFVLCCANHKMNE-UHFFFAOYSA-N -1 3 307.789 3.283 20 30 DGEDHM CCCCCCCSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000825271840 628745804 /nfs/dbraw/zinc/74/58/04/628745804.db2.gz PBCCLPXORNBBBD-UHFFFAOYSA-N -1 3 306.439 3.336 20 30 DGEDHM CCCCCCCSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000825271840 628745806 /nfs/dbraw/zinc/74/58/06/628745806.db2.gz PBCCLPXORNBBBD-UHFFFAOYSA-N -1 3 306.439 3.336 20 30 DGEDHM CCCCCCCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000825298518 628747414 /nfs/dbraw/zinc/74/74/14/628747414.db2.gz SRCPPAXXMMCZNN-UHFFFAOYSA-N -1 3 305.422 3.426 20 30 DGEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000826051496 628823445 /nfs/dbraw/zinc/82/34/45/628823445.db2.gz CLKIULGSTJVEOC-SJKOYZFVSA-N -1 3 312.344 3.249 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)O2 ZINC000826273059 628837464 /nfs/dbraw/zinc/83/74/64/628837464.db2.gz NYRPAJJXQHTLSL-SXGWCWSVSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)O2 ZINC000826273059 628837467 /nfs/dbraw/zinc/83/74/67/628837467.db2.gz NYRPAJJXQHTLSL-SXGWCWSVSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C ZINC000826281362 628837899 /nfs/dbraw/zinc/83/78/99/628837899.db2.gz OIDOXJGITBWSAL-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C ZINC000826281362 628837903 /nfs/dbraw/zinc/83/79/03/628837903.db2.gz OIDOXJGITBWSAL-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM Clc1cc(N=NCC2CCCCC2)ccc1-c1nnn[n-]1 ZINC000826351231 628845589 /nfs/dbraw/zinc/84/55/89/628845589.db2.gz DPDNUTNHPCFAIA-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM Clc1cc(N=NCC2CCCCC2)ccc1-c1nn[n-]n1 ZINC000826351231 628845591 /nfs/dbraw/zinc/84/55/91/628845591.db2.gz DPDNUTNHPCFAIA-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM Fc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826376552 628849968 /nfs/dbraw/zinc/84/99/68/628849968.db2.gz IVIQUVLOHCIFRJ-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826376552 628849969 /nfs/dbraw/zinc/84/99/69/628849969.db2.gz IVIQUVLOHCIFRJ-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#CCc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826382558 628850147 /nfs/dbraw/zinc/85/01/47/628850147.db2.gz JVBRNWYDXDVIKN-UHFFFAOYSA-N -1 3 307.382 3.225 20 30 DGEDHM N#CCc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826382558 628850149 /nfs/dbraw/zinc/85/01/49/628850149.db2.gz JVBRNWYDXDVIKN-UHFFFAOYSA-N -1 3 307.382 3.225 20 30 DGEDHM N#CCC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826381331 628850193 /nfs/dbraw/zinc/85/01/93/628850193.db2.gz HTWVEDUZSKUGFN-OAHLLOKOSA-N -1 3 322.347 3.463 20 30 DGEDHM N#CCC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826381331 628850196 /nfs/dbraw/zinc/85/01/96/628850196.db2.gz HTWVEDUZSKUGFN-OAHLLOKOSA-N -1 3 322.347 3.463 20 30 DGEDHM Fc1cccc(C2CC(N=Nc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826376485 628850399 /nfs/dbraw/zinc/85/03/99/628850399.db2.gz GEPYRCICDCOCPE-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM Fc1cccc(C2CC(N=Nc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826376485 628850402 /nfs/dbraw/zinc/85/04/02/628850402.db2.gz GEPYRCICDCOCPE-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM O=C(C=CC=Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826400266 628851142 /nfs/dbraw/zinc/85/11/42/628851142.db2.gz UKJXTRVKUFRVPD-OYHXRHOKSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=CC=Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826400266 628851146 /nfs/dbraw/zinc/85/11/46/628851146.db2.gz UKJXTRVKUFRVPD-OYHXRHOKSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826401997 628851499 /nfs/dbraw/zinc/85/14/99/628851499.db2.gz KTUUWIGYQXTSHV-YVMONPNESA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826401997 628851501 /nfs/dbraw/zinc/85/15/01/628851501.db2.gz KTUUWIGYQXTSHV-YVMONPNESA-N -1 3 312.279 3.041 20 30 DGEDHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832225944 629452960 /nfs/dbraw/zinc/45/29/60/629452960.db2.gz FBNUAIHDGVQQTM-PXAZEXFGSA-N -1 3 310.353 3.043 20 30 DGEDHM Cc1cccnc1[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)C(C)C ZINC000832983571 629545411 /nfs/dbraw/zinc/54/54/11/629545411.db2.gz KUVWWDYJUFJRKA-SJLPKXTDSA-N -1 3 323.396 3.374 20 30 DGEDHM N#Cc1cccc([C@H](NCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000833074663 629555512 /nfs/dbraw/zinc/55/55/12/629555512.db2.gz CXAHODHVEHQKBV-HNNXBMFYSA-N -1 3 300.745 3.127 20 30 DGEDHM C#CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000833366996 629593109 /nfs/dbraw/zinc/59/31/09/629593109.db2.gz OIFDUBSJHOBFFW-UHFFFAOYSA-N -1 3 309.365 3.029 20 30 DGEDHM C=C(Br)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833367207 629593177 /nfs/dbraw/zinc/59/31/77/629593177.db2.gz JCBCONASAWQNFG-GFCCVEGCSA-N -1 3 312.207 3.337 20 30 DGEDHM C[C@H](C(=O)[O-])[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000833411107 629600488 /nfs/dbraw/zinc/60/04/88/629600488.db2.gz LVDRRNDGOYYYQG-KSSFIOAISA-N -1 3 311.356 3.229 20 30 DGEDHM C[C@H](C(=O)[O-])[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000833411105 629600682 /nfs/dbraw/zinc/60/06/82/629600682.db2.gz LVDRRNDGOYYYQG-KBXCAEBGSA-N -1 3 311.356 3.229 20 30 DGEDHM N#Cc1ccc(CN[C@@H]2C[C@H](NC(=O)[O-])c3ccccc32)cc1 ZINC000833971923 629663528 /nfs/dbraw/zinc/66/35/28/629663528.db2.gz QIRVFGNSFDTMKU-SJORKVTESA-N -1 3 307.353 3.102 20 30 DGEDHM N#Cc1ccc(CN[C@@H]2CCc3cc(NC(=O)[O-])ccc32)cc1 ZINC000833972118 629663582 /nfs/dbraw/zinc/66/35/82/629663582.db2.gz VHXQYJNXOMCIFF-QGZVFWFLSA-N -1 3 307.353 3.425 20 30 DGEDHM CCOC(=O)C(C)(C)ON=Cc1ccc2ccccc2c1[O-] ZINC000835007102 629820775 /nfs/dbraw/zinc/82/07/75/629820775.db2.gz LKJIYKOGNRRJAM-UHFFFAOYSA-N -1 3 301.342 3.238 20 30 DGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C#CC(C)(C)C)c2)n1 ZINC000837349195 630245371 /nfs/dbraw/zinc/24/53/71/630245371.db2.gz ILVARFMOYBHNKQ-UHFFFAOYSA-N -1 3 323.396 3.400 20 30 DGEDHM CC(C)Oc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000841701544 630457222 /nfs/dbraw/zinc/45/72/22/630457222.db2.gz IHMTUBUIOYPRQP-UHFFFAOYSA-N -1 3 324.384 3.331 20 30 DGEDHM C[C@@H]1SCC[C@@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000843262937 630638459 /nfs/dbraw/zinc/63/84/59/630638459.db2.gz GIBUKCXNGFQPSD-BCZIDPNWSA-N -1 3 300.221 3.468 20 30 DGEDHM CSc1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1C ZINC000844272190 630715051 /nfs/dbraw/zinc/71/50/51/630715051.db2.gz WBKWHHZLDOYETI-UHFFFAOYSA-N -1 3 302.399 3.369 20 30 DGEDHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000844661052 630762881 /nfs/dbraw/zinc/76/28/81/630762881.db2.gz XHRJJLNZVBTMKE-QWHCGFSZSA-N -1 3 310.419 3.298 20 30 DGEDHM N#CC1(CNC(=O)c2cc3sccc3c([O-])c2)CCCC1 ZINC000846346144 631229439 /nfs/dbraw/zinc/22/94/39/631229439.db2.gz VBWJJXYPRIXKBW-UHFFFAOYSA-N -1 3 300.383 3.421 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCCc1cccc(Br)c1 ZINC000846536290 631256350 /nfs/dbraw/zinc/25/63/50/631256350.db2.gz FYFQLUHNQHOVLT-UHFFFAOYSA-N -1 3 312.207 3.396 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000846543058 631258169 /nfs/dbraw/zinc/25/81/69/631258169.db2.gz FYTIDHTXFQDRKG-CYBMUJFWSA-N -1 3 300.358 3.205 20 30 DGEDHM COc1cc(C(=O)/C=C\c2c(F)ccc([O-])c2F)ccc1O ZINC000794933999 661114485 /nfs/dbraw/zinc/11/44/85/661114485.db2.gz OKJCALPIOKYMNE-UTCJRWHESA-N -1 3 306.264 3.281 20 30 DGEDHM COc1ccc2c(c1)C(=O)/C(=C/c1c(F)ccc([O-])c1F)CO2 ZINC000794938452 661115089 /nfs/dbraw/zinc/11/50/89/661115089.db2.gz PPVFANKKKXWBEH-RMKNXTFCSA-N -1 3 318.275 3.338 20 30 DGEDHM O=C1C[C@H](/N=C\c2cc(Cl)ccc2[O-])CN1c1ccccc1 ZINC000255320269 655699022 /nfs/dbraw/zinc/69/90/22/655699022.db2.gz AGRJQKXKTCRILZ-VAODSVERSA-N -1 3 314.772 3.270 20 30 DGEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCN1c1ccccc1 ZINC000255843965 655911199 /nfs/dbraw/zinc/91/11/99/655911199.db2.gz KPRPRIYSQJPHQW-MXDDHBLUSA-N -1 3 314.772 3.270 20 30 DGEDHM CC[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccccc1 ZINC000811187467 661231369 /nfs/dbraw/zinc/23/13/69/661231369.db2.gz RTUZNJKOSCQGDB-MRXNPFEDSA-N -1 3 309.321 3.082 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(O)c(OC)c2)ccc1[O-] ZINC000017251659 658601083 /nfs/dbraw/zinc/60/10/83/658601083.db2.gz ZMQUJBYFGUNWFO-UTCJRWHESA-N -1 3 300.310 3.011 20 30 DGEDHM C=CC[C@H]1N(C(=O)c2cc3c(cc2[O-])OCO3)CCCC1(C)C ZINC000444644031 659878652 /nfs/dbraw/zinc/87/86/52/659878652.db2.gz MCSAKSOGSCHTBL-MRXNPFEDSA-N -1 3 317.385 3.328 20 30 DGEDHM CC(C)c1nn(C)c(Cl)c1C([O-])=C(C#N)c1ccccn1 ZINC000076823938 662000925 /nfs/dbraw/zinc/00/09/25/662000925.db2.gz DCUKYBPTNWSLLQ-SNVBAGLBSA-N -1 3 302.765 3.082 20 30 DGEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193396373 662132960 /nfs/dbraw/zinc/13/29/60/662132960.db2.gz RHAPPHXNBIGGLL-ZDUSSCGKSA-N -1 3 302.717 3.203 20 30 DGEDHM Cc1cc(F)c(-c2nnn[n-]2)c(Sc2cccc(C#N)c2)c1 ZINC001580932860 1192046923 /nfs/dbraw/zinc/04/69/23/1192046923.db2.gz KFDMQIAJTQBORE-UHFFFAOYSA-N -1 3 311.345 3.337 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001583407555 1192145259 /nfs/dbraw/zinc/14/52/59/1192145259.db2.gz BJQNQFDTBIGTKA-CQSZACIVSA-N -1 3 303.402 3.347 20 30 DGEDHM C#CCO[N-]C(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1 ZINC001584290500 1192187882 /nfs/dbraw/zinc/18/78/82/1192187882.db2.gz CGMWBMMSBBAPBA-NTMALXAHSA-N -1 3 301.342 3.248 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001662150275 1196686470 /nfs/dbraw/zinc/68/64/70/1196686470.db2.gz FTWHQZDEMUMMLQ-UHFFFAOYSA-N -1 3 303.374 3.154 20 30 DGEDHM C#CCCCCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588345524 1192444860 /nfs/dbraw/zinc/44/48/60/1192444860.db2.gz DEYSQXNTEOXVRF-UHFFFAOYSA-N -1 3 309.295 3.101 20 30 DGEDHM C#CCCCCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588345524 1192444864 /nfs/dbraw/zinc/44/48/64/1192444864.db2.gz DEYSQXNTEOXVRF-UHFFFAOYSA-N -1 3 309.295 3.101 20 30 DGEDHM C#CCCCCCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588346034 1192445308 /nfs/dbraw/zinc/44/53/08/1192445308.db2.gz UDBGKMMCSYMAKG-UHFFFAOYSA-N -1 3 304.781 3.483 20 30 DGEDHM C#CCCCCCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588346034 1192445314 /nfs/dbraw/zinc/44/53/14/1192445314.db2.gz UDBGKMMCSYMAKG-UHFFFAOYSA-N -1 3 304.781 3.483 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588406574 1192446617 /nfs/dbraw/zinc/44/66/17/1192446617.db2.gz WVERMWZYDQOFSJ-JTQLQIEISA-N -1 3 320.780 3.166 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588406574 1192446619 /nfs/dbraw/zinc/44/66/19/1192446619.db2.gz WVERMWZYDQOFSJ-JTQLQIEISA-N -1 3 320.780 3.166 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588405906 1192446829 /nfs/dbraw/zinc/44/68/29/1192446829.db2.gz QMSPWBHZEQLQIB-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588405906 1192446831 /nfs/dbraw/zinc/44/68/31/1192446831.db2.gz QMSPWBHZEQLQIB-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=CC(C)(C)CCNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588488340 1192448601 /nfs/dbraw/zinc/44/86/01/1192448601.db2.gz IEOZFZDBDOPOFC-UHFFFAOYSA-N -1 3 314.418 3.491 20 30 DGEDHM C=CC(C)(C)CCNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588488340 1192448603 /nfs/dbraw/zinc/44/86/03/1192448603.db2.gz IEOZFZDBDOPOFC-UHFFFAOYSA-N -1 3 314.418 3.491 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588495763 1192448840 /nfs/dbraw/zinc/44/88/40/1192448840.db2.gz IXDVIRZAUGXENW-CQSZACIVSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588495763 1192448843 /nfs/dbraw/zinc/44/88/43/1192448843.db2.gz IXDVIRZAUGXENW-CQSZACIVSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@@H](CC)CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588525601 1192449277 /nfs/dbraw/zinc/44/92/77/1192449277.db2.gz JEISCBIJDBOPJC-RYUDHWBXSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@@H](CC)CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588525601 1192449279 /nfs/dbraw/zinc/44/92/79/1192449279.db2.gz JEISCBIJDBOPJC-RYUDHWBXSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC1(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001588557113 1192450340 /nfs/dbraw/zinc/45/03/40/1192450340.db2.gz YWMKQDOWZIWQQI-LBPRGKRZSA-N -1 3 312.373 3.217 20 30 DGEDHM C=CCC1(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001588557113 1192450348 /nfs/dbraw/zinc/45/03/48/1192450348.db2.gz YWMKQDOWZIWQQI-LBPRGKRZSA-N -1 3 312.373 3.217 20 30 DGEDHM C=CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588556183 1192450754 /nfs/dbraw/zinc/45/07/54/1192450754.db2.gz FTYDQSJZCRQMDS-UHFFFAOYSA-N -1 3 312.373 3.046 20 30 DGEDHM C=CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588556183 1192450760 /nfs/dbraw/zinc/45/07/60/1192450760.db2.gz FTYDQSJZCRQMDS-UHFFFAOYSA-N -1 3 312.373 3.046 20 30 DGEDHM C=CCCCNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001588601111 1192451239 /nfs/dbraw/zinc/45/12/39/1192451239.db2.gz VNLNBEHNZVGOCK-UHFFFAOYSA-N -1 3 314.780 3.446 20 30 DGEDHM C=CCCCNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001588601111 1192451242 /nfs/dbraw/zinc/45/12/42/1192451242.db2.gz VNLNBEHNZVGOCK-UHFFFAOYSA-N -1 3 314.780 3.446 20 30 DGEDHM C=CCCCN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588600778 1192451488 /nfs/dbraw/zinc/45/14/88/1192451488.db2.gz PHJKCXCCDHGPFZ-LBPRGKRZSA-N -1 3 311.311 3.026 20 30 DGEDHM C=CCCCN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588600778 1192451490 /nfs/dbraw/zinc/45/14/90/1192451490.db2.gz PHJKCXCCDHGPFZ-LBPRGKRZSA-N -1 3 311.311 3.026 20 30 DGEDHM C=CCCCCCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588593694 1192451865 /nfs/dbraw/zinc/45/18/65/1192451865.db2.gz HEWGXQOGMJKIQG-UHFFFAOYSA-N -1 3 316.365 3.323 20 30 DGEDHM C=CCCCCCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588593694 1192451867 /nfs/dbraw/zinc/45/18/67/1192451867.db2.gz HEWGXQOGMJKIQG-UHFFFAOYSA-N -1 3 316.365 3.323 20 30 DGEDHM C=COc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001588716456 1192452943 /nfs/dbraw/zinc/45/29/43/1192452943.db2.gz GKJHOOYOSLTIHE-UHFFFAOYSA-N -1 3 304.313 3.004 20 30 DGEDHM C=COc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001588716456 1192452945 /nfs/dbraw/zinc/45/29/45/1192452945.db2.gz GKJHOOYOSLTIHE-UHFFFAOYSA-N -1 3 304.313 3.004 20 30 DGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C1CCC1 ZINC001588781043 1192453383 /nfs/dbraw/zinc/45/33/83/1192453383.db2.gz ZGPNANRJYHHSNH-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C1CCC1 ZINC001588781043 1192453385 /nfs/dbraw/zinc/45/33/85/1192453385.db2.gz ZGPNANRJYHHSNH-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001589876494 1192476810 /nfs/dbraw/zinc/47/68/10/1192476810.db2.gz XVQMEBSRLFAJEA-LLVKDONJSA-N -1 3 322.347 3.093 20 30 DGEDHM C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001589876494 1192476811 /nfs/dbraw/zinc/47/68/11/1192476811.db2.gz XVQMEBSRLFAJEA-LLVKDONJSA-N -1 3 322.347 3.093 20 30 DGEDHM CCCCCCCCCCn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001590592695 1192528807 /nfs/dbraw/zinc/52/88/07/1192528807.db2.gz FHQMIZKQAUFQSD-UHFFFAOYSA-N -1 3 315.425 3.384 20 30 DGEDHM CCCCCCCCCCn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001590592695 1192528811 /nfs/dbraw/zinc/52/88/11/1192528811.db2.gz FHQMIZKQAUFQSD-UHFFFAOYSA-N -1 3 315.425 3.384 20 30 DGEDHM COc1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)ccc1C ZINC001591523161 1192566041 /nfs/dbraw/zinc/56/60/41/1192566041.db2.gz PVBMILJWHFGOQG-MDZDMXLPSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)ccc1C ZINC001591523161 1192566043 /nfs/dbraw/zinc/56/60/43/1192566043.db2.gz PVBMILJWHFGOQG-MDZDMXLPSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)c1 ZINC001591632312 1192568618 /nfs/dbraw/zinc/56/86/18/1192568618.db2.gz MVCOTJKGCYAORL-CLFYSBASSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)c1 ZINC001591632312 1192568624 /nfs/dbraw/zinc/56/86/24/1192568624.db2.gz MVCOTJKGCYAORL-CLFYSBASSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CSc1ccc(-c2nnn[n-]2)cn1 ZINC001591905611 1192579918 /nfs/dbraw/zinc/57/99/18/1192579918.db2.gz ALTQOHPUEPKPHC-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CSc1ccc(-c2nn[n-]n2)cn1 ZINC001591905611 1192579920 /nfs/dbraw/zinc/57/99/20/1192579920.db2.gz ALTQOHPUEPKPHC-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)oc1C ZINC001591906784 1192580466 /nfs/dbraw/zinc/58/04/66/1192580466.db2.gz HLNWYPFFUDOHEK-XQRVVYSFSA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)oc1C ZINC001591906784 1192580468 /nfs/dbraw/zinc/58/04/68/1192580468.db2.gz HLNWYPFFUDOHEK-XQRVVYSFSA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc(C)c1O ZINC001591959915 1192582654 /nfs/dbraw/zinc/58/26/54/1192582654.db2.gz XBFUTSADXXHTIU-VOTSOKGWSA-N -1 3 320.352 3.085 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc(C)c1O ZINC001591959915 1192582658 /nfs/dbraw/zinc/58/26/58/1192582658.db2.gz XBFUTSADXXHTIU-VOTSOKGWSA-N -1 3 320.352 3.085 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc(C)c1O ZINC001591959914 1192583455 /nfs/dbraw/zinc/58/34/55/1192583455.db2.gz XBFUTSADXXHTIU-SREVYHEPSA-N -1 3 320.352 3.085 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc(C)c1O ZINC001591959914 1192583460 /nfs/dbraw/zinc/58/34/60/1192583460.db2.gz XBFUTSADXXHTIU-SREVYHEPSA-N -1 3 320.352 3.085 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC001591958235 1192583631 /nfs/dbraw/zinc/58/36/31/1192583631.db2.gz BDCCLRKJONIDMN-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC001591958235 1192583635 /nfs/dbraw/zinc/58/36/35/1192583635.db2.gz BDCCLRKJONIDMN-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(SCc2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001592067421 1192592226 /nfs/dbraw/zinc/59/22/26/1192592226.db2.gz WJGWOJCPEPYHLR-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cc(SCc2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001592067421 1192592229 /nfs/dbraw/zinc/59/22/29/1192592229.db2.gz WJGWOJCPEPYHLR-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(C#N)c1SCc1ccc(-c2nnn[n-]2)s1 ZINC001592218955 1192602790 /nfs/dbraw/zinc/60/27/90/1192602790.db2.gz SXZNUSQZKDHXFT-UHFFFAOYSA-N -1 3 313.411 3.401 20 30 DGEDHM FCCC[C@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001592632416 1192619205 /nfs/dbraw/zinc/61/92/05/1192619205.db2.gz WCYDBRXUXHLCFK-LLVKDONJSA-N -1 3 302.357 3.184 20 30 DGEDHM FCCC[C@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001592632416 1192619208 /nfs/dbraw/zinc/61/92/08/1192619208.db2.gz WCYDBRXUXHLCFK-LLVKDONJSA-N -1 3 302.357 3.184 20 30 DGEDHM O=C(C=Cc1ccc(Cl)s1)c1ccccc1-c1nnn[n-]1 ZINC001592793102 1192627258 /nfs/dbraw/zinc/62/72/58/1192627258.db2.gz ZIPSOSQLBDANLY-ALCCZGGFSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccc(Cl)s1)c1ccccc1-c1nn[n-]n1 ZINC001592793102 1192627261 /nfs/dbraw/zinc/62/72/61/1192627261.db2.gz ZIPSOSQLBDANLY-ALCCZGGFSA-N -1 3 316.773 3.478 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@]2(CC=CCC2)C1 ZINC001592698794 1192626383 /nfs/dbraw/zinc/62/63/83/1192626383.db2.gz IAZMXLYGKBZGCH-GOSISDBHSA-N -1 3 320.400 3.065 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@]2(CC=CCC2)C1 ZINC001592698794 1192626386 /nfs/dbraw/zinc/62/63/86/1192626386.db2.gz IAZMXLYGKBZGCH-GOSISDBHSA-N -1 3 320.400 3.065 20 30 DGEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC001592694498 1192626559 /nfs/dbraw/zinc/62/65/59/1192626559.db2.gz WSHWHVIMXANMHA-UHFFFAOYSA-N -1 3 317.761 3.277 20 30 DGEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC001592694498 1192626563 /nfs/dbraw/zinc/62/65/63/1192626563.db2.gz WSHWHVIMXANMHA-UHFFFAOYSA-N -1 3 317.761 3.277 20 30 DGEDHM N#Cc1c(F)cccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC001592686355 1192626827 /nfs/dbraw/zinc/62/68/27/1192626827.db2.gz IDDGCWKGYPJCEM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1c(F)cccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC001592686355 1192626828 /nfs/dbraw/zinc/62/68/28/1192626828.db2.gz IDDGCWKGYPJCEM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1F ZINC000385028546 1177152148 /nfs/dbraw/zinc/15/21/48/1177152148.db2.gz BPFKVFQQDSKFAH-UHFFFAOYSA-N -1 3 304.346 3.001 20 30 DGEDHM COC(=O)[C@@H]1CCC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC001331974861 1178325212 /nfs/dbraw/zinc/32/52/12/1178325212.db2.gz COUWPOORALKLOT-SECBINFHSA-N -1 3 316.386 3.033 20 30 DGEDHM N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC001601079761 1192916403 /nfs/dbraw/zinc/91/64/03/1192916403.db2.gz MEJKUZWKSWGYGB-SWLSCSKDSA-N -1 3 310.353 3.427 20 30 DGEDHM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1)c1cccc(F)n1 ZINC001342562499 1179153279 /nfs/dbraw/zinc/15/32/79/1179153279.db2.gz PBXCNPCCJRGCJV-GFCCVEGCSA-N -1 3 324.290 3.036 20 30 DGEDHM COc1ccc(Cl)cc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001342559787 1179153623 /nfs/dbraw/zinc/15/36/23/1179153623.db2.gz WRHHVNPAEFLNRT-LLVKDONJSA-N -1 3 304.708 3.373 20 30 DGEDHM C#CCN(Cc1cc(C(=O)[O-])c2n1CCCC2)C1CCCCC1 ZINC001602719329 1192995247 /nfs/dbraw/zinc/99/52/47/1192995247.db2.gz DOZMFKQQZDNVAL-UHFFFAOYSA-N -1 3 314.429 3.291 20 30 DGEDHM C=CC(C)(C)CCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602786852 1192997266 /nfs/dbraw/zinc/99/72/66/1192997266.db2.gz MZTYRUKPIHCPAJ-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CC(C)(C)CCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602786852 1192997269 /nfs/dbraw/zinc/99/72/69/1192997269.db2.gz MZTYRUKPIHCPAJ-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(C)sc1C ZINC001602908464 1193002006 /nfs/dbraw/zinc/00/20/06/1193002006.db2.gz XSSBHCNKFMEFNK-UHFFFAOYSA-N -1 3 312.402 3.381 20 30 DGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(C)sc1C ZINC001602908464 1193002009 /nfs/dbraw/zinc/00/20/09/1193002009.db2.gz XSSBHCNKFMEFNK-UHFFFAOYSA-N -1 3 312.402 3.381 20 30 DGEDHM CC(=NNc1ccc(Cl)cc1)c1ccccc1-c1nnn[n-]1 ZINC001602907877 1193002027 /nfs/dbraw/zinc/00/20/27/1193002027.db2.gz APJIPMSDBLCHDK-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(=NNc1ccc(Cl)cc1)c1ccccc1-c1nn[n-]n1 ZINC001602907877 1193002029 /nfs/dbraw/zinc/00/20/29/1193002029.db2.gz APJIPMSDBLCHDK-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(C)(C#N)CCCCN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001603034549 1193006027 /nfs/dbraw/zinc/00/60/27/1193006027.db2.gz IAALFFQUCXQEGS-UHFFFAOYSA-N -1 3 324.432 3.339 20 30 DGEDHM CC(C)(C#N)CCCCN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001603034549 1193006028 /nfs/dbraw/zinc/00/60/28/1193006028.db2.gz IAALFFQUCXQEGS-UHFFFAOYSA-N -1 3 324.432 3.339 20 30 DGEDHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC001603190275 1193010415 /nfs/dbraw/zinc/01/04/15/1193010415.db2.gz JQUUJZPMGXKZKL-YVEFUNNKSA-N -1 3 312.344 3.249 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccccc1-c1nnn[n-]1 ZINC001603826860 1193033455 /nfs/dbraw/zinc/03/34/55/1193033455.db2.gz OIMPUHADINLKOX-OKHBPPCESA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccccc1-c1nn[n-]n1 ZINC001603826860 1193033458 /nfs/dbraw/zinc/03/34/58/1193033458.db2.gz OIMPUHADINLKOX-OKHBPPCESA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@H]1C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H]1C ZINC001603839218 1193034331 /nfs/dbraw/zinc/03/43/31/1193034331.db2.gz FRSCNDCJOWBVLF-JGVFFNPUSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@H]1C(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H]1C ZINC001603839218 1193034334 /nfs/dbraw/zinc/03/43/34/1193034334.db2.gz FRSCNDCJOWBVLF-JGVFFNPUSA-N -1 3 324.310 3.329 20 30 DGEDHM N#Cc1cc(NC(=S)Nc2ccc(F)c(F)c2)ccc1[O-] ZINC001200697201 1180828547 /nfs/dbraw/zinc/82/85/47/1180828547.db2.gz AFUWKCVNNTYAIM-UHFFFAOYSA-N -1 3 305.309 3.351 20 30 DGEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccccc1)c1cccc(F)n1 ZINC001357640449 1181414849 /nfs/dbraw/zinc/41/48/49/1181414849.db2.gz ZTMHQKJALCWUPY-LBPRGKRZSA-N -1 3 306.300 3.101 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC001448837684 1182215653 /nfs/dbraw/zinc/21/56/53/1182215653.db2.gz GVJCNLWRKDGWRR-INIZCTEOSA-N -1 3 324.405 3.403 20 30 DGEDHM C=C[C@H](C)ONC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001452736641 1182299344 /nfs/dbraw/zinc/29/93/44/1182299344.db2.gz NTBPDQMIEACQTA-ZDUSSCGKSA-N -1 3 313.353 3.207 20 30 DGEDHM Cc1cc(F)ccc1NN=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605683100 1193164524 /nfs/dbraw/zinc/16/45/24/1193164524.db2.gz PTIHNBKYVFTWQG-UHFFFAOYSA-N -1 3 310.336 3.069 20 30 DGEDHM Cc1cc(F)ccc1NN=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605683100 1193164525 /nfs/dbraw/zinc/16/45/25/1193164525.db2.gz PTIHNBKYVFTWQG-UHFFFAOYSA-N -1 3 310.336 3.069 20 30 DGEDHM CCCCCCN([O-])C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001458011487 1182490094 /nfs/dbraw/zinc/49/00/94/1182490094.db2.gz NVJUZLHKMVODDD-UHFFFAOYSA-N -1 3 314.426 3.042 20 30 DGEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC001464055477 1183066901 /nfs/dbraw/zinc/06/69/01/1183066901.db2.gz CABCRYWOXBXLMU-VXGBXAGGSA-N -1 3 314.476 3.119 20 30 DGEDHM N#Cc1c(F)cccc1Sc1cc(F)ccc1-c1nnn[n-]1 ZINC001606358218 1193199246 /nfs/dbraw/zinc/19/92/46/1193199246.db2.gz HGMGVJMGTCYPER-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1c(F)cccc1Sc1cc(F)ccc1-c1nn[n-]n1 ZINC001606358218 1193199249 /nfs/dbraw/zinc/19/92/49/1193199249.db2.gz HGMGVJMGTCYPER-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1C1CCCCC1 ZINC001606379705 1193199854 /nfs/dbraw/zinc/19/98/54/1193199854.db2.gz JJTJCSMMKQZYEE-LSDHHAIUSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1C1CCCCC1 ZINC001606379705 1193199857 /nfs/dbraw/zinc/19/98/57/1193199857.db2.gz JJTJCSMMKQZYEE-LSDHHAIUSA-N -1 3 308.389 3.119 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001607036172 1193210264 /nfs/dbraw/zinc/21/02/64/1193210264.db2.gz CETFJRKVSVMUHT-RAXLEYEMSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001607036172 1193210269 /nfs/dbraw/zinc/21/02/69/1193210269.db2.gz CETFJRKVSVMUHT-RAXLEYEMSA-N -1 3 320.327 3.218 20 30 DGEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC001468581061 1183343780 /nfs/dbraw/zinc/34/37/80/1183343780.db2.gz WXKNNDMHUWGFKH-KRWDZBQOSA-N -1 3 322.364 3.152 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ccc(Br)cc1 ZINC001469732490 1183430506 /nfs/dbraw/zinc/43/05/06/1183430506.db2.gz HTLJCIBYVSJXRH-NSHDSACASA-N -1 3 312.207 3.394 20 30 DGEDHM O=C(c1ccc2nsnc2c1)N([O-])Cc1ccccc1Cl ZINC001472619647 1183656546 /nfs/dbraw/zinc/65/65/46/1183656546.db2.gz CDHZEFVRJRHGOT-UHFFFAOYSA-N -1 3 319.773 3.376 20 30 DGEDHM O=C(c1ncc2cc(Cl)ccn21)N([O-])Cc1ccc(F)cc1 ZINC001472622000 1183658078 /nfs/dbraw/zinc/65/80/78/1183658078.db2.gz FRCJHICAKAVZKB-UHFFFAOYSA-N -1 3 319.723 3.158 20 30 DGEDHM Cc1cc(NCc2ccc([O-])c(Br)c2)ncc1C#N ZINC001472731477 1183673973 /nfs/dbraw/zinc/67/39/73/1183673973.db2.gz VSCZSPAPLFMENV-UHFFFAOYSA-N -1 3 318.174 3.342 20 30 DGEDHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1F ZINC001475455840 1184004111 /nfs/dbraw/zinc/00/41/11/1184004111.db2.gz HOOBVBYRYGAUQM-LBPRGKRZSA-N -1 3 324.402 3.188 20 30 DGEDHM C#C[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001609020158 1193321080 /nfs/dbraw/zinc/32/10/80/1193321080.db2.gz STFQQEMVHZTIRX-CYBMUJFWSA-N -1 3 324.775 3.010 20 30 DGEDHM C#C[C@@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001609020158 1193321081 /nfs/dbraw/zinc/32/10/81/1193321081.db2.gz STFQQEMVHZTIRX-CYBMUJFWSA-N -1 3 324.775 3.010 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609050819 1193322719 /nfs/dbraw/zinc/32/27/19/1193322719.db2.gz CWRCDTAMNDVTEC-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609050819 1193322720 /nfs/dbraw/zinc/32/27/20/1193322720.db2.gz CWRCDTAMNDVTEC-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@](C)(CC)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609052142 1193322904 /nfs/dbraw/zinc/32/29/04/1193322904.db2.gz NNYHFJDYKMELFH-BDJLRTHQSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@](C)(CC)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609052142 1193322906 /nfs/dbraw/zinc/32/29/06/1193322906.db2.gz NNYHFJDYKMELFH-BDJLRTHQSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609052884 1193322923 /nfs/dbraw/zinc/32/29/23/1193322923.db2.gz UDBKARPDHQFZBN-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609052884 1193322926 /nfs/dbraw/zinc/32/29/26/1193322926.db2.gz UDBKARPDHQFZBN-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C[C@@H]1CCCCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609165127 1193327884 /nfs/dbraw/zinc/32/78/84/1193327884.db2.gz FDKYYHVGMPUKAV-SECBINFHSA-N -1 3 319.800 3.283 20 30 DGEDHM C[C@@H]1CCCCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609165127 1193327886 /nfs/dbraw/zinc/32/78/86/1193327886.db2.gz FDKYYHVGMPUKAV-SECBINFHSA-N -1 3 319.800 3.283 20 30 DGEDHM CCC(=NNc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609180432 1193328988 /nfs/dbraw/zinc/32/89/88/1193328988.db2.gz AXTBCQPJACGJMZ-UHFFFAOYSA-N -1 3 310.336 3.232 20 30 DGEDHM CCCCCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001609209328 1193331165 /nfs/dbraw/zinc/33/11/65/1193331165.db2.gz YUFHHGATKTYLAV-UHFFFAOYSA-N -1 3 318.377 3.141 20 30 DGEDHM CCCCCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001609209328 1193331168 /nfs/dbraw/zinc/33/11/68/1193331168.db2.gz YUFHHGATKTYLAV-UHFFFAOYSA-N -1 3 318.377 3.141 20 30 DGEDHM Cc1cc(O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001609411087 1193336339 /nfs/dbraw/zinc/33/63/39/1193336339.db2.gz OJCWKCNDHCASMH-GFCCVEGCSA-N -1 3 305.341 3.187 20 30 DGEDHM Cc1cc(O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001609411087 1193336341 /nfs/dbraw/zinc/33/63/41/1193336341.db2.gz OJCWKCNDHCASMH-GFCCVEGCSA-N -1 3 305.341 3.187 20 30 DGEDHM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609403381 1193336619 /nfs/dbraw/zinc/33/66/19/1193336619.db2.gz DAHAGDITAARVIX-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609403381 1193336621 /nfs/dbraw/zinc/33/66/21/1193336621.db2.gz DAHAGDITAARVIX-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM FC(F)c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609485927 1193342206 /nfs/dbraw/zinc/34/22/06/1193342206.db2.gz DDZNLPRCXUMVNA-UHFFFAOYSA-N -1 3 314.299 3.250 20 30 DGEDHM N#C[C@@H]1CC[C@@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001609494316 1193342782 /nfs/dbraw/zinc/34/27/82/1193342782.db2.gz ADDZGVXQTKQWID-PSASIEDQSA-N -1 3 305.794 3.304 20 30 DGEDHM N#C[C@@H]1CC[C@@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001609494316 1193342785 /nfs/dbraw/zinc/34/27/85/1193342785.db2.gz ADDZGVXQTKQWID-PSASIEDQSA-N -1 3 305.794 3.304 20 30 DGEDHM N#C[C@H]1CC[C@@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001609494319 1193342992 /nfs/dbraw/zinc/34/29/92/1193342992.db2.gz ADDZGVXQTKQWID-WCBMZHEXSA-N -1 3 305.794 3.304 20 30 DGEDHM N#C[C@H]1CC[C@@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001609494319 1193342994 /nfs/dbraw/zinc/34/29/94/1193342994.db2.gz ADDZGVXQTKQWID-WCBMZHEXSA-N -1 3 305.794 3.304 20 30 DGEDHM C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778128 1193355595 /nfs/dbraw/zinc/35/55/95/1193355595.db2.gz MHKNMSHCIZVOQW-PNESKVBLSA-N -1 3 302.374 3.071 20 30 DGEDHM C=CCCC[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001655216350 1195891901 /nfs/dbraw/zinc/89/19/01/1195891901.db2.gz XWJOZJACFMPCMX-UHFFFAOYSA-N -1 3 316.835 3.194 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@@H]2CCCc3c(F)cccc32)C(=O)[O-])c1 ZINC001610630571 1193401872 /nfs/dbraw/zinc/40/18/72/1193401872.db2.gz UYIKIAHITHXXCV-QZTJIDSGSA-N -1 3 324.355 3.490 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nnn(-c2cccc(C)c2)c1C ZINC001611655750 1193439182 /nfs/dbraw/zinc/43/91/82/1193439182.db2.gz PRPNWXCUYBMQPL-UHFFFAOYSA-N -1 3 316.405 3.296 20 30 DGEDHM CCCCN([O-])C(=O)c1cc(C)n(-c2ccccc2Cl)n1 ZINC001611657709 1193439314 /nfs/dbraw/zinc/43/93/14/1193439314.db2.gz DNRTZRAZBBOWRZ-UHFFFAOYSA-N -1 3 307.781 3.466 20 30 DGEDHM Cc1ccn2ncc(C(=O)N([O-])Cc3ccccc3Cl)c2c1 ZINC001611650972 1193439388 /nfs/dbraw/zinc/43/93/88/1193439388.db2.gz SMTCCYQKQQPWQB-UHFFFAOYSA-N -1 3 315.760 3.328 20 30 DGEDHM COc1ccccc1CC(=O)N([O-])CCCCc1ccccc1 ZINC001611653153 1193439554 /nfs/dbraw/zinc/43/95/54/1193439554.db2.gz FQWFNUGAKJGVNN-UHFFFAOYSA-N -1 3 313.397 3.478 20 30 DGEDHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc(Cl)c(C#N)s1 ZINC001532398141 1187751769 /nfs/dbraw/zinc/75/17/69/1187751769.db2.gz KVMYXGYYFZSWFX-UHFFFAOYSA-N -1 3 318.692 3.155 20 30 DGEDHM CCCCCCN([O-])C(=O)CCCn1c(=O)oc2ccccc21 ZINC001559034718 1189163678 /nfs/dbraw/zinc/16/36/78/1189163678.db2.gz MPJUXWJUBPFZIV-UHFFFAOYSA-N -1 3 320.389 3.173 20 30 DGEDHM CCCCN([O-])C(=O)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001559035546 1189164691 /nfs/dbraw/zinc/16/46/91/1189164691.db2.gz VOFSSBLGMWUZET-QWHCGFSZSA-N -1 3 314.426 3.088 20 30 DGEDHM C=CC[C@@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC001626457717 1194077769 /nfs/dbraw/zinc/07/77/69/1194077769.db2.gz GTSDYHHXDXZCLY-CYBMUJFWSA-N -1 3 308.341 3.363 20 30 DGEDHM C=C(Br)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001627194328 1194115949 /nfs/dbraw/zinc/11/59/49/1194115949.db2.gz JRRWKDQIKOUOKU-UHFFFAOYSA-N -1 3 312.188 3.245 20 30 DGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001629243092 1194222002 /nfs/dbraw/zinc/22/20/02/1194222002.db2.gz XOSBZOPSDVBYEM-CJNGLKHVSA-N -1 3 301.386 3.460 20 30 DGEDHM COc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1C#N ZINC001632534300 1194394169 /nfs/dbraw/zinc/39/41/69/1194394169.db2.gz KNFOLGAHTPLRAW-UHFFFAOYSA-N -1 3 322.364 3.404 20 30 DGEDHM C[C@@H](C#N)CN(C(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC001633064606 1194419461 /nfs/dbraw/zinc/41/94/61/1194419461.db2.gz SIEBNPXLZMFPAG-JTQLQIEISA-N -1 3 300.383 3.371 20 30 DGEDHM Cc1cc(Cl)cc(NC(=O)c2cc(C)c(C#N)cn2)c1[O-] ZINC001637646745 1194679871 /nfs/dbraw/zinc/67/98/71/1194679871.db2.gz SKQMIXJGOFHDFR-UHFFFAOYSA-N -1 3 301.733 3.181 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)[nH]n1 ZINC001639035130 1194747544 /nfs/dbraw/zinc/74/75/44/1194747544.db2.gz DNJZIUDBNZTHIU-UHFFFAOYSA-N -1 3 300.145 3.057 20 30 DGEDHM O=C(c1cccc2nccn21)N([O-])Cc1ccccc1Cl ZINC001639054291 1194748602 /nfs/dbraw/zinc/74/86/02/1194748602.db2.gz FEPVEEUBJFRZJS-UHFFFAOYSA-N -1 3 301.733 3.019 20 30 DGEDHM O=C(c1ccc2cc[nH]c2n1)N([O-])Cc1ccccc1Cl ZINC001639058849 1194748976 /nfs/dbraw/zinc/74/89/76/1194748976.db2.gz VDFQFILAQALBNJ-UHFFFAOYSA-N -1 3 301.733 3.248 20 30 DGEDHM O=C(CSCc1ccccn1)N([O-])Cc1ccccc1Cl ZINC001639054511 1194749014 /nfs/dbraw/zinc/74/90/14/1194749014.db2.gz PGKHXPDJLJBYIP-UHFFFAOYSA-N -1 3 322.817 3.386 20 30 DGEDHM O=C(Cc1cccnc1Cl)N([O-])Cc1ccccc1Cl ZINC001639059012 1194749016 /nfs/dbraw/zinc/74/90/16/1194749016.db2.gz ZOTQYVPBRIUXSS-UHFFFAOYSA-N -1 3 311.168 3.349 20 30 DGEDHM N#Cc1csc(C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001639058546 1194749039 /nfs/dbraw/zinc/74/90/39/1194749039.db2.gz KELMFRVKFKEUHD-UHFFFAOYSA-N -1 3 300.383 3.474 20 30 DGEDHM N#Cc1csc(C(=O)Nc2cc([O-])cc(Br)c2)c1 ZINC001640658205 1194824362 /nfs/dbraw/zinc/82/43/62/1194824362.db2.gz WGZIMBHIFNCDQQ-UHFFFAOYSA-N -1 3 323.171 3.340 20 30 DGEDHM CCOc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001641858163 1194875399 /nfs/dbraw/zinc/87/53/99/1194875399.db2.gz RSSOWDJXOXAHFI-UHFFFAOYSA-N -1 3 306.749 3.165 20 30 DGEDHM O=C(c1cccc2cc(=O)[nH]cc21)N([O-])Cc1ccc(F)cc1 ZINC001641877770 1194876458 /nfs/dbraw/zinc/87/64/58/1194876458.db2.gz GOYXQYFEKYIWMH-UHFFFAOYSA-N -1 3 312.300 3.111 20 30 DGEDHM N#CCCCOc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001650651602 1195369215 /nfs/dbraw/zinc/36/92/15/1195369215.db2.gz QOHLQWAVMMXINU-UHFFFAOYSA-N -1 3 314.301 3.122 20 30 DGEDHM O=C([C@H]1Cc2cccnc2C1)N([O-])CCCCc1ccccc1 ZINC001651228225 1195428871 /nfs/dbraw/zinc/42/88/71/1195428871.db2.gz ZLCYHHOJSPNWNC-KRWDZBQOSA-N -1 3 310.397 3.037 20 30 DGEDHM O=C(c1cc2cccn2cn1)N([O-])CCCCc1ccccc1 ZINC001651227928 1195429416 /nfs/dbraw/zinc/42/94/16/1195429416.db2.gz VFRJWZOJJCZWQF-UHFFFAOYSA-N -1 3 309.369 3.189 20 30 DGEDHM COc1cccc2c1[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)CC2 ZINC001651238306 1195431081 /nfs/dbraw/zinc/43/10/81/1195431081.db2.gz WMDPTBKBITUCIO-HNNXBMFYSA-N -1 3 315.344 3.282 20 30 DGEDHM Cc1ccc(C#N)cc1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC001654382729 1195798506 /nfs/dbraw/zinc/79/85/06/1195798506.db2.gz GPAQAAAPOYPOBW-UHFFFAOYSA-N -1 3 317.348 3.269 20 30 DGEDHM CCCCN([O-])C(=O)Cc1c(C)nn(-c2ccccc2)c1C ZINC001654821997 1195844401 /nfs/dbraw/zinc/84/44/01/1195844401.db2.gz RKDDTVUDZKHVFJ-UHFFFAOYSA-N -1 3 301.390 3.050 20 30 DGEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001656145553 1196010257 /nfs/dbraw/zinc/01/02/57/1196010257.db2.gz IQQLXKYPXDDNIT-UHFFFAOYSA-N -1 3 303.374 3.154 20 30 DGEDHM C#C[C@@H](C)N(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001657930401 1196195054 /nfs/dbraw/zinc/19/50/54/1196195054.db2.gz BLLNVUKTEVDGGW-MRVPVSSYSA-N -1 3 302.599 3.262 20 30 DGEDHM C#C[C@H](C)N(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001657930403 1196194538 /nfs/dbraw/zinc/19/45/38/1196194538.db2.gz BLLNVUKTEVDGGW-QMMMGPOBSA-N -1 3 302.599 3.262 20 30 DGEDHM N#Cc1cccc(C2(NCc3cc(F)cc(F)c3[O-])CC2)c1 ZINC001662438224 1196722257 /nfs/dbraw/zinc/72/22/57/1196722257.db2.gz WWYMAXRTDQLWJL-UHFFFAOYSA-N -1 3 300.308 3.321 20 30 DGEDHM N#Cc1cccc(CNCc2cccc([O-])c2Br)c1 ZINC000315022664 1199798378 /nfs/dbraw/zinc/79/83/78/1199798378.db2.gz LUIICIBAZYQTPO-UHFFFAOYSA-N -1 3 317.186 3.316 20 30 DGEDHM CC(C)CC1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCC1 ZINC001574167449 950479880 /nfs/dbraw/zinc/47/98/80/950479880.db2.gz CJAKFMJUQBFAIQ-UHFFFAOYSA-N -1 3 310.405 3.367 20 30 DGEDHM CC(C)CC1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCC1 ZINC001574167449 950479887 /nfs/dbraw/zinc/47/98/87/950479887.db2.gz CJAKFMJUQBFAIQ-UHFFFAOYSA-N -1 3 310.405 3.367 20 30 DGEDHM CCCN(Cc1ccc(C#N)cc1)Cc1cncc(C(=O)[O-])c1 ZINC001595886048 982913048 /nfs/dbraw/zinc/91/30/48/982913048.db2.gz UQVREVRDNWPZGM-UHFFFAOYSA-N -1 3 309.369 3.064 20 30 DGEDHM C#CCC1(NCc2ccc(C(=O)[O-])cc2Br)CCC1 ZINC001588427956 983459036 /nfs/dbraw/zinc/45/90/36/983459036.db2.gz STHXESKPXKBYEI-UHFFFAOYSA-N -1 3 322.202 3.183 20 30 DGEDHM C#CCN(Cc1ccc(-c2ccccc2C(=O)[O-])o1)CC1CC1 ZINC001588469506 983502143 /nfs/dbraw/zinc/50/21/43/983502143.db2.gz IXWNTYLTNNDVJE-UHFFFAOYSA-N -1 3 309.365 3.490 20 30 DGEDHM C=CCCCCCN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001588800070 984244177 /nfs/dbraw/zinc/24/41/77/984244177.db2.gz ZDDWCZFHBMBJDX-UHFFFAOYSA-N -1 3 306.362 3.471 20 30 DGEDHM C[C@H](c1ccc(OC(F)F)cc1)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001593698683 996166764 /nfs/dbraw/zinc/16/67/64/996166764.db2.gz HTYSZLLZKLFYLJ-LLVKDONJSA-N -1 3 324.327 3.039 20 30 DGEDHM C#CC(CC)(CC)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258810391 1106993469 /nfs/dbraw/zinc/99/34/69/1106993469.db2.gz GXFCYUAXEZDTGN-UHFFFAOYSA-N -1 3 320.241 3.464 20 30 DGEDHM COc1ncc(Nc2c(C#N)cccc2C(F)(F)F)cc1[O-] ZINC001216209866 1082420662 /nfs/dbraw/zinc/42/06/62/1082420662.db2.gz NTLZJHVHFBVHAR-UHFFFAOYSA-N -1 3 309.247 3.430 20 30 DGEDHM CCN(C)c1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cn1 ZINC000588579171 1082731246 /nfs/dbraw/zinc/73/12/46/1082731246.db2.gz ITWRLHDZPKDBMF-YVMONPNESA-N -1 3 312.369 3.148 20 30 DGEDHM N#Cc1cc(NC(=O)CCOc2ccccc2Cl)ccc1[O-] ZINC001182909733 1083839579 /nfs/dbraw/zinc/83/95/79/1083839579.db2.gz RSAWTTRBBIOZMW-UHFFFAOYSA-N -1 3 316.744 3.325 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C ZINC001184314743 1084147786 /nfs/dbraw/zinc/14/77/86/1084147786.db2.gz IQTIFYBQZVLNKW-ZDUSSCGKSA-N -1 3 316.442 3.286 20 30 DGEDHM O=C(c1cnc2cnccc2c1)N([O-])Cc1ccccc1Cl ZINC001184283516 1084151956 /nfs/dbraw/zinc/15/19/56/1084151956.db2.gz MUYDZGJTEHRBRA-UHFFFAOYSA-N -1 3 313.744 3.315 20 30 DGEDHM N#Cc1ccc(C(=O)N([O-])Cc2ccccc2Cl)c(F)c1 ZINC001184293195 1084156370 /nfs/dbraw/zinc/15/63/70/1084156370.db2.gz JDZWTMNXKOXQQR-UHFFFAOYSA-N -1 3 304.708 3.382 20 30 DGEDHM Cn1cc(C(=O)N([O-])Cc2cccc3ccccc32)c(Cl)n1 ZINC001184339143 1084163246 /nfs/dbraw/zinc/16/32/46/1084163246.db2.gz CSZKOCJIRFAEEX-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N([O-])Cc1ccc(F)cc1 ZINC001184348750 1084165470 /nfs/dbraw/zinc/16/54/70/1084165470.db2.gz SZHFJUIKRJYFPS-HZPDHXFCSA-N -1 3 303.308 3.486 20 30 DGEDHM C=CCS(=O)(=O)[N-]c1ccccc1OCc1ccccc1 ZINC000710888272 1085199527 /nfs/dbraw/zinc/19/95/27/1085199527.db2.gz NJLZWUUHGVVATN-UHFFFAOYSA-N -1 3 303.383 3.193 20 30 DGEDHM C[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccc(Br)cc1 ZINC001226253289 1086003353 /nfs/dbraw/zinc/00/33/53/1086003353.db2.gz GKKQFLYRVAGSAA-PTPOTIKZSA-N -1 3 322.162 3.187 20 30 DGEDHM C#C[C@H](Oc1c([O-])cc(Br)cc1F)c1ccncc1 ZINC001227591361 1086632275 /nfs/dbraw/zinc/63/22/75/1086632275.db2.gz TXBHRESWZFLGIR-ZDUSSCGKSA-N -1 3 322.133 3.442 20 30 DGEDHM C#C[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(C)(C)C ZINC001212037887 1087142543 /nfs/dbraw/zinc/14/25/43/1087142543.db2.gz PWXIZGMWPPHVGO-AWEZNQCLSA-N -1 3 323.389 3.207 20 30 DGEDHM N#Cc1cc(NC(=O)c2nc3ccccc3nc2Cl)ccc1[O-] ZINC001152164460 1087909965 /nfs/dbraw/zinc/90/99/65/1087909965.db2.gz ZBAZCLJGMOEZIX-UHFFFAOYSA-N -1 3 324.727 3.113 20 30 DGEDHM N#Cc1c(Cl)c2ccccc2nc1NCc1ncccc1[O-] ZINC001158774615 1088024217 /nfs/dbraw/zinc/02/42/17/1088024217.db2.gz QJVMLKAIFDWIJF-UHFFFAOYSA-N -1 3 310.744 3.473 20 30 DGEDHM N#C[C@@H](NC(=O)c1c(O)cc2ccccc2c1[O-])c1ccccc1 ZINC001154019851 1088440873 /nfs/dbraw/zinc/44/08/73/1088440873.db2.gz UBZJVQIQLYAFGL-OAHLLOKOSA-N -1 3 318.332 3.246 20 30 DGEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154029626 1088446324 /nfs/dbraw/zinc/44/63/24/1088446324.db2.gz CFSDTCGACUGLSN-SFHVURJKSA-N -1 3 312.369 3.309 20 30 DGEDHM Cc1noc([N-]C(=O)c2sc3ncccc3c2Cl)c1C#N ZINC001154058190 1088457555 /nfs/dbraw/zinc/45/75/55/1088457555.db2.gz LIHAOUJRBXPEJA-UHFFFAOYSA-N -1 3 318.745 3.370 20 30 DGEDHM N#Cc1cccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168522080 1088525693 /nfs/dbraw/zinc/52/56/93/1088525693.db2.gz ORXQERJCBGNIBS-UHFFFAOYSA-N -1 3 310.744 3.473 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC(=N)C(C)(C)C)n1 ZINC001155181078 1088994570 /nfs/dbraw/zinc/99/45/70/1088994570.db2.gz GQVXUCQWAQZSTQ-LHHJGKSTSA-N -1 3 301.803 3.095 20 30 DGEDHM COc1ccc(OC)c(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001161801899 1089409672 /nfs/dbraw/zinc/40/96/72/1089409672.db2.gz FTWFHVZYPXUEQX-UHFFFAOYSA-N -1 3 321.760 3.389 20 30 DGEDHM C#Cc1cccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC001161803094 1089409938 /nfs/dbraw/zinc/40/99/38/1089409938.db2.gz DHIINNRCYVREON-UHFFFAOYSA-N -1 3 311.356 3.152 20 30 DGEDHM CCOC(=O)[C@H](C(=O)N([O-])CCCCc1ccccc1)C(C)C ZINC001161819440 1089421640 /nfs/dbraw/zinc/42/16/40/1089421640.db2.gz UCXBWCYGIWTRQI-INIZCTEOSA-N -1 3 321.417 3.062 20 30 DGEDHM CCCc1cc(C(=O)N([O-])CCCCc2ccccc2)no1 ZINC001161819794 1089421917 /nfs/dbraw/zinc/42/19/17/1089421917.db2.gz WFLPFHWJZNECSF-UHFFFAOYSA-N -1 3 302.374 3.481 20 30 DGEDHM CO[C@@H]1CCC[C@@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001161819417 1089422165 /nfs/dbraw/zinc/42/21/65/1089422165.db2.gz SOBBKZZLTHCZMN-IAGOWNOFSA-N -1 3 305.418 3.432 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001161826516 1089427962 /nfs/dbraw/zinc/42/79/62/1089427962.db2.gz 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COc1cc(/C=N/[O-])ccc1OC[C@H](C)Oc1ccccc1 ZINC001233804264 1098434317 /nfs/dbraw/zinc/43/43/17/1098434317.db2.gz VXMNEQPVGVYGEJ-FHXOWUIVSA-N -1 3 301.342 3.350 20 30 DGEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)COCc1ccccc1 ZINC001233804453 1098434382 /nfs/dbraw/zinc/43/43/82/1098434382.db2.gz ZSCYZQHKIFDZIE-HIPSJFSSSA-N -1 3 315.369 3.487 20 30 DGEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3CCc4ccccc43)c12 ZINC001234511574 1098575523 /nfs/dbraw/zinc/57/55/23/1098575523.db2.gz RCKNKNHEPFNPAF-OAHLLOKOSA-N -1 3 303.321 3.273 20 30 DGEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234847196 1098680517 /nfs/dbraw/zinc/68/05/17/1098680517.db2.gz HGLDRRPPPZYRNE-CQSZACIVSA-N -1 3 324.409 3.149 20 30 DGEDHM O=C(C#Cc1ccc(F)cc1F)Nc1cc([O-])cc(Cl)c1 ZINC001178573395 1098879042 /nfs/dbraw/zinc/87/90/42/1098879042.db2.gz NQJOVDYMHRJRBG-UHFFFAOYSA-N -1 3 307.683 3.314 20 30 DGEDHM O=C([N-]c1cc(C(F)(F)F)no1)C(F)(F)C(F)(F)Cl ZINC001179774831 1099193372 /nfs/dbraw/zinc/19/33/72/1099193372.db2.gz 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C=CCS(=O)(=O)[N-]c1cnc2ccccc2c1C(F)(F)F ZINC001259923354 1107225068 /nfs/dbraw/zinc/22/50/68/1107225068.db2.gz FZXARVFXEADTMH-UHFFFAOYSA-N -1 3 316.304 3.181 20 30 DGEDHM C=CCS(=O)(=O)[N-]c1c(F)cccc1OC1CCCCC1 ZINC001259931443 1107227210 /nfs/dbraw/zinc/22/72/10/1107227210.db2.gz KNYZCPZHFFZMML-UHFFFAOYSA-N -1 3 313.394 3.465 20 30 DGEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccccc1 ZINC001260689109 1107298598 /nfs/dbraw/zinc/29/85/98/1107298598.db2.gz SQILASPLKAGPLZ-HNNXBMFYSA-N -1 3 320.801 3.024 20 30 DGEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c1C ZINC001260997853 1107338044 /nfs/dbraw/zinc/33/80/44/1107338044.db2.gz IGGGLDJANNRTEK-UHFFFAOYSA-N -1 3 322.336 3.254 20 30 DGEDHM C=CC[C@@H]1N(C(=O)CCc2c(C)nc[n-]c2=O)CCCC1(C)C ZINC001322106265 1107515061 /nfs/dbraw/zinc/51/50/61/1107515061.db2.gz AOSVUSBPUVBBFO-HNNXBMFYSA-N -1 3 317.433 3.017 20 30 DGEDHM COc1cc(C=NOC(C)(C)C)cc(Br)c1[O-] ZINC001319584197 1108532600 /nfs/dbraw/zinc/53/26/00/1108532600.db2.gz TVQKHUVODLTZCP-UHFFFAOYSA-N -1 3 302.168 3.312 20 30 DGEDHM C#Cc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001304815629 1111184407 /nfs/dbraw/zinc/18/44/07/1111184407.db2.gz ONZYBSUFGKGCCK-UHFFFAOYSA-N -1 3 316.154 3.388 20 30 DGEDHM Cc1cccc2c1[n-]cc(C(=O)Nc1cccc(C#N)c1C)c2=O ZINC001306709954 1111237694 /nfs/dbraw/zinc/23/76/94/1111237694.db2.gz GZYBQJSJWSSISR-UHFFFAOYSA-N -1 3 317.348 3.269 20 30 DGEDHM C[C@H]1CCc2[nH]nc(C(=O)N([O-])Cc3ccccc3Cl)c2C1 ZINC001306894803 1111247677 /nfs/dbraw/zinc/24/76/77/1111247677.db2.gz RJMJZIMCABKYFC-JTQLQIEISA-N -1 3 319.792 3.220 20 30 DGEDHM CCCCN([O-])C(=O)c1ccc2cncc(Br)c2n1 ZINC001306897461 1111247908 /nfs/dbraw/zinc/24/79/08/1111247908.db2.gz NREOEWNHKCJYRS-UHFFFAOYSA-N -1 3 324.178 3.024 20 30 DGEDHM CCCCCCN([O-])C(=O)c1n[nH]c(CC)c1Br ZINC001306896694 1111248046 /nfs/dbraw/zinc/24/80/46/1111248046.db2.gz JDCOPXUYSLVJRA-UHFFFAOYSA-N -1 3 318.215 3.146 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccc(Br)c(F)c1 ZINC001306897246 1111247949 /nfs/dbraw/zinc/24/79/49/1111247949.db2.gz FSNDRTSMKGKUFU-UHFFFAOYSA-N -1 3 304.159 3.149 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1ccc(-n2cccn2)cc1 ZINC001306897120 1111247986 /nfs/dbraw/zinc/24/79/86/1111247986.db2.gz ZNZCWAWYSTZYDF-UHFFFAOYSA-N -1 3 301.390 3.213 20 30 DGEDHM O=C(c1csc(NC2CC2)n1)N([O-])Cc1ccccc1Cl ZINC001306894667 1111248091 /nfs/dbraw/zinc/24/80/91/1111248091.db2.gz NRXKRFWIPVHPAS-UHFFFAOYSA-N -1 3 323.805 3.402 20 30 DGEDHM CCCCN([O-])C(=O)Cc1cc(OC)ccc1Br ZINC001306897328 1111248958 /nfs/dbraw/zinc/24/89/58/1111248958.db2.gz IKYYDVVOPMOWSQ-UHFFFAOYSA-N -1 3 316.195 3.018 20 30 DGEDHM C=CCC1([N-]S(=O)(=O)c2cc(F)c(C)cc2F)CCCC1 ZINC001309686135 1111535920 /nfs/dbraw/zinc/53/59/20/1111535920.db2.gz UGOQVHXJZACPKP-UHFFFAOYSA-N -1 3 315.385 3.440 20 30 DGEDHM CCc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000357664499 529612101 /nfs/dbraw/zinc/61/21/01/529612101.db2.gz UCSVQZRRTAZSRZ-AWEZNQCLSA-N -1 3 304.353 3.319 20 30 DGEDHM N#Cc1ccc(CSCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183268180 283149134 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312.329 3.263 20 30 DGEDHM CCCOc1ccccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000005110897 400085900 /nfs/dbraw/zinc/08/59/00/400085900.db2.gz KBKVQPBQIJYXSM-VXLYETTFSA-N -1 3 300.358 3.127 20 30 DGEDHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610081708 400212359 /nfs/dbraw/zinc/21/23/59/400212359.db2.gz VSOMBHAJRVHCFT-GFCCVEGCSA-N -1 3 312.410 3.190 20 30 DGEDHM N#CCn1c(C(=O)Nc2cc(F)ccc2[O-])cc2ccccc21 ZINC000610507508 400266767 /nfs/dbraw/zinc/26/67/67/400266767.db2.gz YSEMSFQSIUDNDY-UHFFFAOYSA-N -1 3 309.300 3.262 20 30 DGEDHM CCc1c(C)sc([N-]C(=O)c2csc(COC)n2)c1C#N ZINC000068677038 400279758 /nfs/dbraw/zinc/27/97/58/400279758.db2.gz RZDRPDKKGRYSNJ-UHFFFAOYSA-N -1 3 321.427 3.346 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)c(F)cc1C ZINC000601977617 400391605 /nfs/dbraw/zinc/39/16/05/400391605.db2.gz NWGISAPATCQRFC-MRVPVSSYSA-N -1 3 324.299 3.197 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(-n3cccc3)c2)nc(C)n1 ZINC000041562675 400409774 /nfs/dbraw/zinc/40/97/74/400409774.db2.gz 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/nfs/dbraw/zinc/16/52/09/431165209.db2.gz BHQWHPAFBHMCES-SSDOTTSWSA-N -1 3 316.258 3.429 20 30 DGEDHM C[C@H](Cc1cccc(F)c1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000069127710 431165216 /nfs/dbraw/zinc/16/52/16/431165216.db2.gz BHQWHPAFBHMCES-SSDOTTSWSA-N -1 3 316.258 3.429 20 30 DGEDHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000070431905 431248559 /nfs/dbraw/zinc/24/85/59/431248559.db2.gz YBJGVGRMXBZAPA-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000112222566 431256257 /nfs/dbraw/zinc/25/62/57/431256257.db2.gz MKSUDJSAAIRBJO-HNNXBMFYSA-N -1 3 302.337 3.066 20 30 DGEDHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000433137699 280237078 /nfs/dbraw/zinc/23/70/78/280237078.db2.gz UXNJLVUWBYZYPA-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CCCOc1ccc(/C=N/[C@@H](C)c2nnc3ccccn32)c([O-])c1 ZINC000015149750 431603067 /nfs/dbraw/zinc/60/30/67/431603067.db2.gz MPGUABLURFOLEG-HCZVKUGISA-N -1 3 324.384 3.404 20 30 DGEDHM Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000078379952 431664784 /nfs/dbraw/zinc/66/47/84/431664784.db2.gz NTYJPXMXUPKBBI-QMMMGPOBSA-N -1 3 314.267 3.187 20 30 DGEDHM Cc1cccc(O[C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000078379952 431664789 /nfs/dbraw/zinc/66/47/89/431664789.db2.gz NTYJPXMXUPKBBI-QMMMGPOBSA-N -1 3 314.267 3.187 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccc2[nH]c(CCCC)nc2c1 ZINC000120283285 431723158 /nfs/dbraw/zinc/72/31/58/431723158.db2.gz IGALGTOTLXSVSB-UHFFFAOYSA-N -1 3 307.419 3.223 20 30 DGEDHM N#CC(=C([O-])c1cccc(OC(F)(F)F)c1)c1ccccn1 ZINC000121510038 431797565 /nfs/dbraw/zinc/79/75/65/431797565.db2.gz DJAPATYWPCWGJL-LBPRGKRZSA-N -1 3 306.243 3.470 20 30 DGEDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000121612842 431803598 /nfs/dbraw/zinc/80/35/98/431803598.db2.gz UUHQGCKBHLXPOM-IRXDYDNUSA-N -1 3 322.412 3.016 20 30 DGEDHM CCCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000121872661 431808604 /nfs/dbraw/zinc/80/86/04/431808604.db2.gz LMYGKAFNJGRSBO-ZDUSSCGKSA-N -1 3 321.384 3.358 20 30 DGEDHM CC1(C)[C@@H](/N=C/c2cc(Br)ccc2[O-])[C@H]2CCO[C@@H]21 ZINC000123241169 431859291 /nfs/dbraw/zinc/85/92/91/431859291.db2.gz TUWPSVIAHRAWHW-YDHIFULLSA-N -1 3 324.218 3.387 20 30 DGEDHM CC1(C)[C@H](/N=C/c2cc(Br)ccc2[O-])[C@H]2CCO[C@@H]21 ZINC000123240930 431859353 /nfs/dbraw/zinc/85/93/53/431859353.db2.gz TUWPSVIAHRAWHW-SDAFKVKPSA-N -1 3 324.218 3.387 20 30 DGEDHM CC(C)Oc1cncc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000089492562 431867989 /nfs/dbraw/zinc/86/79/89/431867989.db2.gz ZZJCSSJOVRMZEH-AWEZNQCLSA-N -1 3 320.352 3.235 20 30 DGEDHM CCC1(CC)[C@H](/N=C/c2ccc(O)c([O-])c2O)[C@H](C)[C@@H]1OC ZINC000092196665 431908692 /nfs/dbraw/zinc/90/86/92/431908692.db2.gz AGDMVQUCJJVSLR-DFPLIUPVSA-N -1 3 307.390 3.062 20 30 DGEDHM CC(C)c1cc(C(=O)N2CCOC[C@H]2C#N)c([O-])c(C(C)C)c1 ZINC000091681529 431905445 /nfs/dbraw/zinc/90/54/45/431905445.db2.gz DVZCVKQXKHLLNE-CQSZACIVSA-N -1 3 316.401 3.004 20 30 DGEDHM COc1cccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1[O-] ZINC000127730368 431979318 /nfs/dbraw/zinc/97/93/18/431979318.db2.gz BUAWYKKWPOUWPY-UHFFFAOYSA-N -1 3 310.353 3.454 20 30 DGEDHM C=CCOc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000055724922 431985234 /nfs/dbraw/zinc/98/52/34/431985234.db2.gz LZLSEFAJRZNEDH-UHFFFAOYSA-N -1 3 320.348 3.345 20 30 DGEDHM C=CCOc1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000055724922 431985237 /nfs/dbraw/zinc/98/52/37/431985237.db2.gz LZLSEFAJRZNEDH-UHFFFAOYSA-N -1 3 320.348 3.345 20 30 DGEDHM CC1(C#N)CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000272536235 432520376 /nfs/dbraw/zinc/52/03/76/432520376.db2.gz ODSGLMPBGAEKLV-UHFFFAOYSA-N -1 3 309.207 3.280 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)cc1F ZINC000186581530 432610757 /nfs/dbraw/zinc/61/07/57/432610757.db2.gz WUNRCZUZTRTREH-WBMJQRKESA-N -1 3 324.421 3.026 20 30 DGEDHM Cc1ncc(CO)c(/C=N/c2ccc(OCC3CC3)cc2)c1[O-] ZINC000264943609 432665558 /nfs/dbraw/zinc/66/55/58/432665558.db2.gz ZZXHGGJEKNGFDN-AWQFTUOYSA-N -1 3 312.369 3.127 20 30 DGEDHM C=C(C)[C@@H](NCc1nc(CC)cc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000187768220 432682780 /nfs/dbraw/zinc/68/27/80/432682780.db2.gz CLFYPVROYXRUIW-QGZVFWFLSA-N -1 3 319.355 3.430 20 30 DGEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2coc(-c3ccccc3)n2)n1 ZINC000161163316 432763620 /nfs/dbraw/zinc/76/36/20/432763620.db2.gz FHMOVGFZULRORE-UHFFFAOYSA-N -1 3 321.340 3.243 20 30 DGEDHM C[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000230339841 432728221 /nfs/dbraw/zinc/72/82/21/432728221.db2.gz GJUCKBGUPOPPSS-GFCCVEGCSA-N -1 3 320.439 3.092 20 30 DGEDHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160833722 432743445 /nfs/dbraw/zinc/74/34/45/432743445.db2.gz WOSDIJIKZLNZRW-ZDUSSCGKSA-N -1 3 312.822 3.069 20 30 DGEDHM CC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCC1 ZINC000160817051 432744356 /nfs/dbraw/zinc/74/43/56/432744356.db2.gz DFXHENUGJMHBOE-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM CSCc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000275735506 432745479 /nfs/dbraw/zinc/74/54/79/432745479.db2.gz VBMSZFVNANNZFI-GIJQJNRQSA-N -1 3 316.426 3.070 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2cccc(C)c2)c1CC ZINC000189461588 432787719 /nfs/dbraw/zinc/78/77/19/432787719.db2.gz QWYJLUKEIOKZGJ-UHFFFAOYSA-N -1 3 319.430 3.061 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(C)c1 ZINC000179028317 432798339 /nfs/dbraw/zinc/79/83/39/432798339.db2.gz XQFGSUNELBTQCW-UHFFFAOYSA-N -1 3 300.383 3.284 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000162124760 432812830 /nfs/dbraw/zinc/81/28/30/432812830.db2.gz SAWVFWLXNIUBON-UHFFFAOYSA-N -1 3 300.337 3.318 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000288210592 432889968 /nfs/dbraw/zinc/88/99/68/432889968.db2.gz LOIZGIFXPFDXTD-UHFFFAOYSA-N -1 3 322.199 3.214 20 30 DGEDHM COc1ccc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C#N ZINC000277415915 432848299 /nfs/dbraw/zinc/84/82/99/432848299.db2.gz SPETXNCWFUQBCY-ACJLOTCBSA-N -1 3 324.380 3.118 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)c(F)c1 ZINC000446768205 433103998 /nfs/dbraw/zinc/10/39/98/433103998.db2.gz XUCHDKDBJFINMY-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM CCCC[C@H](C)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000290931148 433208094 /nfs/dbraw/zinc/20/80/94/433208094.db2.gz KVEHRHSKCLFASS-LBPRGKRZSA-N -1 3 317.433 3.245 20 30 DGEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000357206099 433906697 /nfs/dbraw/zinc/90/66/97/433906697.db2.gz WAHGMJRUNQBQKK-HNNXBMFYSA-N -1 3 317.433 3.149 20 30 DGEDHM CC(C)[C@@H](C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436557889 434009204 /nfs/dbraw/zinc/00/92/04/434009204.db2.gz OSGJBPDDUQVQMR-MRXNPFEDSA-N -1 3 310.353 3.462 20 30 DGEDHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000345937527 434009669 /nfs/dbraw/zinc/00/96/69/434009669.db2.gz FMTJXSFCUFMYDG-SNVBAGLBSA-N -1 3 312.822 3.069 20 30 DGEDHM COc1cccc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1[O-] ZINC000416094242 434013011 /nfs/dbraw/zinc/01/30/11/434013011.db2.gz AQBYIKYMDFIERK-MRXNPFEDSA-N -1 3 322.364 3.080 20 30 DGEDHM CC(C)c1ccc(C(=O)NCc2cc(C#N)ccc2F)c([O-])c1 ZINC000436592308 434025283 /nfs/dbraw/zinc/02/52/83/434025283.db2.gz TXPBWVAHCSGIMQ-UHFFFAOYSA-N -1 3 312.344 3.456 20 30 DGEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000416533023 434133138 /nfs/dbraw/zinc/13/31/38/434133138.db2.gz SPWHCPZHCYQHSL-UHFFFAOYSA-N -1 3 320.389 3.197 20 30 DGEDHM C=C(C)[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(F)c(F)c1 ZINC000436941756 434178423 /nfs/dbraw/zinc/17/84/23/434178423.db2.gz SFIHORVWBJFIEN-INIZCTEOSA-N -1 3 319.307 3.423 20 30 DGEDHM CC[C@H](CC#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436967719 434190461 /nfs/dbraw/zinc/19/04/61/434190461.db2.gz RLVLALPPGPYBPU-MRXNPFEDSA-N -1 3 308.381 3.405 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000416948935 434257892 /nfs/dbraw/zinc/25/78/92/434257892.db2.gz QHVHJVOUXNWDKO-OAHLLOKOSA-N -1 3 308.403 3.052 20 30 DGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000364706299 434282143 /nfs/dbraw/zinc/28/21/43/434282143.db2.gz XLJYFCQVTSRMCK-SJORKVTESA-N -1 3 322.364 3.010 20 30 DGEDHM C=CC[C@H]1N(C(=O)c2cc(F)cc3[n-]nnc32)CCCC1(C)C ZINC000328659397 434295036 /nfs/dbraw/zinc/29/50/36/434295036.db2.gz SQYDZHDDVMJZTL-CQSZACIVSA-N -1 3 316.380 3.304 20 30 DGEDHM C=CC[C@H]1N(C(=O)c2cc(F)cc3nn[n-]c32)CCCC1(C)C ZINC000328659397 434295042 /nfs/dbraw/zinc/29/50/42/434295042.db2.gz SQYDZHDDVMJZTL-CQSZACIVSA-N -1 3 316.380 3.304 20 30 DGEDHM C=CC[C@H]1N(C(=O)c2cc(F)cc3n[n-]nc32)CCCC1(C)C ZINC000328659397 434295048 /nfs/dbraw/zinc/29/50/48/434295048.db2.gz SQYDZHDDVMJZTL-CQSZACIVSA-N -1 3 316.380 3.304 20 30 DGEDHM COCc1ncsc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000340722762 434318937 /nfs/dbraw/zinc/31/89/37/434318937.db2.gz XPBRHQZHVNGQGE-UHFFFAOYSA-N -1 3 307.400 3.092 20 30 DGEDHM Cc1cc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1C#N ZINC000417572398 434445079 /nfs/dbraw/zinc/44/50/79/434445079.db2.gz YTWGGKZDDIAGGH-KSSFIOAISA-N -1 3 308.381 3.418 20 30 DGEDHM CC[C@@](C)(C#N)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000287740413 434439903 /nfs/dbraw/zinc/43/99/03/434439903.db2.gz HPBNDLCPDKTCBD-INIZCTEOSA-N -1 3 309.329 3.096 20 30 DGEDHM CC[C@@](C)(C#N)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000287740413 434439911 /nfs/dbraw/zinc/43/99/11/434439911.db2.gz HPBNDLCPDKTCBD-INIZCTEOSA-N -1 3 309.329 3.096 20 30 DGEDHM CC[C@@](C)(C#N)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000287740413 434439917 /nfs/dbraw/zinc/43/99/17/434439917.db2.gz HPBNDLCPDKTCBD-INIZCTEOSA-N -1 3 309.329 3.096 20 30 DGEDHM C[C@@H]1CC[C@@](CNCc2ccc(C#N)cc2F)(CC(=O)[O-])C1 ZINC000417562812 434442104 /nfs/dbraw/zinc/44/21/04/434442104.db2.gz JIBMKAKCFXADQA-PXAZEXFGSA-N -1 3 304.365 3.068 20 30 DGEDHM N#Cc1csc(CN[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417604250 434457587 /nfs/dbraw/zinc/45/75/87/434457587.db2.gz UGKLFFNHJHJTLE-OAHLLOKOSA-N -1 3 300.383 3.315 20 30 DGEDHM C=C(C)CN(CC)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000411197805 434744567 /nfs/dbraw/zinc/74/45/67/434744567.db2.gz HPOYGHJFAQDKAE-UHFFFAOYSA-N -1 3 304.777 3.220 20 30 DGEDHM CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000553435361 434890710 /nfs/dbraw/zinc/89/07/10/434890710.db2.gz VANQAEZPTOUNIR-OAHLLOKOSA-N -1 3 318.398 3.217 20 30 DGEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462085793 434901334 /nfs/dbraw/zinc/90/13/34/434901334.db2.gz VQHBYSNPJGCQOU-UHFFFAOYSA-N -1 3 313.366 3.402 20 30 DGEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1cnc2ccccc2n1 ZINC000574857682 435003599 /nfs/dbraw/zinc/00/35/99/435003599.db2.gz ZVAVZUGJLHDNAL-AWEZNQCLSA-N -1 3 315.332 3.055 20 30 DGEDHM C[C@H](O[N-]C(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccc1 ZINC000493235270 435130460 /nfs/dbraw/zinc/13/04/60/435130460.db2.gz FOGMWTTUPWZWLF-RZXPCSSPSA-N -1 3 322.364 3.411 20 30 DGEDHM C=CCOc1ccc(/C=C/C(=O)[N-]OC/C=C/Cl)cc1OC ZINC000493353328 435154515 /nfs/dbraw/zinc/15/45/15/435154515.db2.gz NPESPDLTNTUTTI-KRDKKKDJSA-N -1 3 323.776 3.074 20 30 DGEDHM Cc1cc(OCCCOc2cccc(C#N)c2)cc2occ([O-])c21 ZINC000642609305 435238784 /nfs/dbraw/zinc/23/87/84/435238784.db2.gz BKLLZQCJXQAAFB-UHFFFAOYSA-N 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/nfs/dbraw/zinc/24/64/86/315246486.db2.gz ZJOSTKQCWIJZHQ-UHFFFAOYSA-N -1 3 301.346 3.363 20 30 DGEDHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000570150225 315628220 /nfs/dbraw/zinc/62/82/20/315628220.db2.gz OOAIQUWUSILKII-YPMHNXCESA-N -1 3 312.460 3.257 20 30 DGEDHM Cc1sc([N-]C(=O)c2snnc2C2CC2)c(C#N)c1C ZINC000574096459 315931478 /nfs/dbraw/zinc/93/14/78/315931478.db2.gz LQSSBUJRQSFDQR-UHFFFAOYSA-N -1 3 304.400 3.218 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(Br)cn1 ZINC000293667473 335114909 /nfs/dbraw/zinc/11/49/09/335114909.db2.gz QEOUFBQKHCLISY-MRVPVSSYSA-N -1 3 319.149 3.233 20 30 DGEDHM [O-]c1cc(CNCC(F)(F)C(F)F)cc(C(F)(F)F)c1 ZINC000291470971 334179166 /nfs/dbraw/zinc/17/91/66/334179166.db2.gz DTWZLQKBBYDUKE-UHFFFAOYSA-N -1 3 305.193 3.401 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000116905624 337844620 /nfs/dbraw/zinc/84/46/20/337844620.db2.gz UIYJQBRVMOTRFZ-MRVPVSSYSA-N -1 3 324.229 3.245 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000116905622 337844630 /nfs/dbraw/zinc/84/46/30/337844630.db2.gz UIYJQBRVMOTRFZ-QMMMGPOBSA-N -1 3 324.229 3.245 20 30 DGEDHM Cc1c(C#N)cccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000338625040 533717481 /nfs/dbraw/zinc/71/74/81/533717481.db2.gz LKILXFOWFOCZKJ-OAHLLOKOSA-N -1 3 314.348 3.243 20 30 DGEDHM Cc1c(C#N)cccc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000338625097 533718438 /nfs/dbraw/zinc/71/84/38/533718438.db2.gz MGCRJSFVQWWFRK-CQSZACIVSA-N -1 3 300.321 3.233 20 30 DGEDHM Fc1ccc(C#CCSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000135306168 341236333 /nfs/dbraw/zinc/23/63/33/341236333.db2.gz MMCBQIVOOPXNPV-UHFFFAOYSA-N -1 3 310.357 3.150 20 30 DGEDHM CC(C)C(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000568277029 341663000 /nfs/dbraw/zinc/66/30/00/341663000.db2.gz NCXVCFCCCWXSLK-UHFFFAOYSA-N -1 3 322.430 3.207 20 30 DGEDHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000318853305 533826725 /nfs/dbraw/zinc/82/67/25/533826725.db2.gz XFPQICVWHDKZOI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/79/06/32/527790632.db2.gz TXYLWLVZLQKDCG-DTVMNVQKSA-N -1 3 307.390 3.206 20 30 DGEDHM CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCC1 ZINC000443071265 527984362 /nfs/dbraw/zinc/98/43/62/527984362.db2.gz NMVGYNUOWRLGOO-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443042111 528105988 /nfs/dbraw/zinc/10/59/88/528105988.db2.gz YGMVJSRHKNHIRS-LBPRGKRZSA-N -1 3 300.811 3.069 20 30 DGEDHM CCCCCCC[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155335896 528137156 /nfs/dbraw/zinc/13/71/56/528137156.db2.gz SYHACXCXJGVSSD-OAQYLSRUSA-N -1 3 324.368 3.420 20 30 DGEDHM CC(C)[C@@H](C/N=C/c1ccc(O)c([O-])c1O)c1cccnc1 ZINC000177545200 528423258 /nfs/dbraw/zinc/42/32/58/528423258.db2.gz SSMJASAATZMEAP-MRGVZLDZSA-N -1 3 300.358 3.057 20 30 DGEDHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCC1 ZINC000435439561 528856917 /nfs/dbraw/zinc/85/69/17/528856917.db2.gz SZHOPXRPDLUONP-CYBMUJFWSA-N -1 3 312.460 3.257 20 30 DGEDHM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435434644 528870563 /nfs/dbraw/zinc/87/05/63/528870563.db2.gz ZCVJTVUJVLYMRP-YPMHNXCESA-N -1 3 312.460 3.257 20 30 DGEDHM CC[C@H](CC#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000183941421 529299887 /nfs/dbraw/zinc/29/98/87/529299887.db2.gz UQLDFMRAVHARTH-OAHLLOKOSA-N -1 3 324.380 3.393 20 30 DGEDHM Cc1c2cc(Cl)cc(Br)c2oc1C(=O)N[O-] ZINC000671996664 547847416 /nfs/dbraw/zinc/84/74/16/547847416.db2.gz VXMOIVLOAUUPSE-UHFFFAOYSA-N -1 3 304.527 3.276 20 30 DGEDHM N#CC(=C([O-])c1ccc(OC2CCCC2)cc1)c1ccncn1 ZINC000680617696 549076257 /nfs/dbraw/zinc/07/62/57/549076257.db2.gz BKKWNZYJGXJJPV-INIZCTEOSA-N -1 3 307.353 3.288 20 30 DGEDHM Cc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)sc1C ZINC000683690183 549519061 /nfs/dbraw/zinc/51/90/61/549519061.db2.gz YBJZHLHKTVWBJU-LLVKDONJSA-N -1 3 310.382 3.435 20 30 DGEDHM C[C@H]1CC(N=Nc2nccnc2Cl)c2c1c(F)ccc2[O-] ZINC000733078576 574594678 /nfs/dbraw/zinc/59/46/78/574594678.db2.gz FUYBLODBKNEOJB-ZETCQYMHSA-N -1 3 306.728 3.298 20 30 DGEDHM N#CCOc1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000733328248 574616330 /nfs/dbraw/zinc/61/63/30/574616330.db2.gz NDTUAMVKTYQWJT-UHFFFAOYSA-N -1 3 302.761 3.238 20 30 DGEDHM C=CCCCSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000735412510 574699938 /nfs/dbraw/zinc/69/99/38/574699938.db2.gz DUEOKEBUODYSPL-UHFFFAOYSA-N -1 3 301.419 3.117 20 30 DGEDHM C=CCCCSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000735412510 574699940 /nfs/dbraw/zinc/69/99/40/574699940.db2.gz DUEOKEBUODYSPL-UHFFFAOYSA-N -1 3 301.419 3.117 20 30 DGEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000736662667 574762195 /nfs/dbraw/zinc/76/21/95/574762195.db2.gz RHQHDTJEGUNPIJ-HWPZZCPQSA-N -1 3 316.307 3.313 20 30 DGEDHM CC[C@@H](C#N)Oc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000736847411 574808714 /nfs/dbraw/zinc/80/87/14/574808714.db2.gz CSAVWMWNMXTKEX-WMZOPIPTSA-N -1 3 324.380 3.283 20 30 DGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1C#N ZINC000736821414 574807532 /nfs/dbraw/zinc/80/75/32/574807532.db2.gz FTYCWNKFNXCFLG-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1C#N ZINC000736821414 574807534 /nfs/dbraw/zinc/80/75/34/574807534.db2.gz FTYCWNKFNXCFLG-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000736817998 574807602 /nfs/dbraw/zinc/80/76/02/574807602.db2.gz KLSULPZHTHFELO-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000736817998 574807603 /nfs/dbraw/zinc/80/76/03/574807603.db2.gz KLSULPZHTHFELO-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(C(=O)[O-])o2)c([O-])c1 ZINC000737088074 574822953 /nfs/dbraw/zinc/82/29/53/574822953.db2.gz GJGUTTCJNDKGPI-VCHYOVAHSA-N -1 3 316.357 3.149 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737452044 574844325 /nfs/dbraw/zinc/84/43/25/574844325.db2.gz WNTZWVBPONFALU-MRXNPFEDSA-N -1 3 314.772 3.469 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738290501 574864655 /nfs/dbraw/zinc/86/46/55/574864655.db2.gz OQPMJBSGPPACKP-DHZHZOJOSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738290501 574864656 /nfs/dbraw/zinc/86/46/56/574864656.db2.gz OQPMJBSGPPACKP-DHZHZOJOSA-N -1 3 308.366 3.141 20 30 DGEDHM N#Cc1ccc([C@@H](NCCSc2ccccc2)C(=O)[O-])cc1 ZINC000739105793 574892362 /nfs/dbraw/zinc/89/23/62/574892362.db2.gz JDPJTIGCNNJZHW-MRXNPFEDSA-N -1 3 312.394 3.066 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@@H](O)c1c(F)cccc1Cl ZINC000741165016 574952534 /nfs/dbraw/zinc/95/25/34/574952534.db2.gz DGJZOSCEWKMDKN-HFTHVURISA-N -1 3 323.751 3.346 20 30 DGEDHM CCOc1ccc(/C=N/[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([O-])c1 ZINC000741463478 574958637 /nfs/dbraw/zinc/95/86/37/574958637.db2.gz GMHXBVCZCNYDGP-CTXKUKTJSA-N -1 3 303.402 3.413 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2cccc(CC(F)(F)F)c2)c1[O-] ZINC000743044642 575032870 /nfs/dbraw/zinc/03/28/70/575032870.db2.gz NNVKNOAOZXETAV-UHFFFAOYSA-N -1 3 324.302 3.443 20 30 DGEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccs1 ZINC000743448320 575051867 /nfs/dbraw/zinc/05/18/67/575051867.db2.gz JPOKKTVOAZHVEX-UHFFFAOYSA-N -1 3 322.455 3.024 20 30 DGEDHM CC(=NNCCCOc1ccccc1)c1ccc([O-])cc1F ZINC000729933005 575267053 /nfs/dbraw/zinc/26/70/53/575267053.db2.gz QASBMCHXCIZEKI-UHFFFAOYSA-N -1 3 302.349 3.314 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1ccc2c(c1)OCO2 ZINC000746243998 575441637 /nfs/dbraw/zinc/44/16/37/575441637.db2.gz GCKRLMGCDIJZOS-NVMNQCDNSA-N -1 3 303.745 3.436 20 30 DGEDHM CCOc1ccc(/C=N\[C@@H](COC)Cc2ccccc2)c([O-])c1 ZINC000746814646 575476613 /nfs/dbraw/zinc/47/66/13/575476613.db2.gz ASJGSQRFAICZEB-VJOZSWGJSA-N -1 3 313.397 3.468 20 30 DGEDHM COc1ccc([C@@H](C)/N=C\c2ccc(O)c([O-])c2O)cc1F ZINC000747713184 575535172 /nfs/dbraw/zinc/53/51/72/575535172.db2.gz PXXGKPDDPVRNBN-YSUMALLGSA-N -1 3 305.305 3.131 20 30 DGEDHM CC(=NN=C(C)c1ccc(N2CCCC2)cc1[O-])c1cnccn1 ZINC000748248058 575575301 /nfs/dbraw/zinc/57/53/01/575575301.db2.gz DJGADJQTAROUGJ-UHFFFAOYSA-N -1 3 323.400 3.016 20 30 DGEDHM N#Cc1cccc(C2([N-]C(=O)C(F)(F)c3ccccc3)CC2)c1 ZINC000749016586 575621817 /nfs/dbraw/zinc/62/18/17/575621817.db2.gz ZCHQUNFSJJFJRV-UHFFFAOYSA-N -1 3 312.319 3.456 20 30 DGEDHM [O-]c1c(O)ccc(/C=N\CC2(c3ccc(F)cc3)CCC2)c1O ZINC000749453866 575657664 /nfs/dbraw/zinc/65/76/64/575657664.db2.gz XAMMQSBWLGEKON-JMIUGGIZSA-N -1 3 315.344 3.483 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC[C@@H](C/N=C/c2ccccc2[O-])C1 ZINC000750950087 575764304 /nfs/dbraw/zinc/76/43/04/575764304.db2.gz OGWCJQPWSSHFJK-BXUJETTOSA-N -1 3 318.417 3.458 20 30 DGEDHM COC(=O)c1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)[nH]1 ZINC000751513531 575787967 /nfs/dbraw/zinc/78/79/67/575787967.db2.gz GSIVFFBNPQKGCJ-RYGSOJJJSA-N -1 3 315.300 3.029 20 30 DGEDHM COc1cccc(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC000752159477 575825303 /nfs/dbraw/zinc/82/53/03/575825303.db2.gz HKOUGKWKGJTJTN-CYBMUJFWSA-N -1 3 303.321 3.128 20 30 DGEDHM O=C1Nc2cccc(Cl)c2C1=N[N-]c1cnc2ccccc2n1 ZINC000727256951 576116335 /nfs/dbraw/zinc/11/63/35/576116335.db2.gz ABHYADDOOCZRQA-UHFFFAOYSA-N -1 3 323.743 3.052 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2ccc(-n3cncn3)c(F)c2)ccc1[O-] ZINC000728231166 576170930 /nfs/dbraw/zinc/17/09/30/576170930.db2.gz JCJKIAMZTWCKGV-ZZXKWVIFSA-N -1 3 323.327 3.317 20 30 DGEDHM COc1cccc([O-])c1/C=N/CCc1ccc(NC(C)=O)cc1 ZINC000728785950 576203187 /nfs/dbraw/zinc/20/31/87/576203187.db2.gz UMTHWPBTINLQLX-XDHOZWIPSA-N -1 3 312.369 3.021 20 30 DGEDHM C=C(C)[C@@H]1CC=C(C)C(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000920383300 620798351 /nfs/dbraw/zinc/79/83/51/620798351.db2.gz ITBRNWKCGFFJJH-MRXNPFEDSA-N -1 3 318.442 3.394 20 30 DGEDHM O=C1[C@@H](NCc2ccc(-c3ccccc3Cl)o2)CCCN1[O-] ZINC000895166000 618562307 /nfs/dbraw/zinc/56/23/07/618562307.db2.gz OAGWIFUDIVQMFS-AWEZNQCLSA-N -1 3 320.776 3.070 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCc3c(F)cccc32)c1[O-] ZINC000840704630 618963482 /nfs/dbraw/zinc/96/34/82/618963482.db2.gz ADWYLZUFUBBHPR-JDYBYSMLSA-N -1 3 314.360 3.224 20 30 DGEDHM CCC[C@@H](C/N=C/c1cc(Br)ccc1[O-])OC ZINC000840706040 618971605 /nfs/dbraw/zinc/97/16/05/618971605.db2.gz GXEMTABJUSGEEV-AAWHYMEISA-N -1 3 300.196 3.389 20 30 DGEDHM O=C(/C=C/c1ccc([O-])cc1F)c1ccnn1CC1CCC1 ZINC000899413748 619338832 /nfs/dbraw/zinc/33/88/32/619338832.db2.gz QTGXNVIDWYSNAW-FNORWQNLSA-N -1 3 300.333 3.424 20 30 DGEDHM Cc1cccc([C@@H](NCc2csc(C#N)c2)C(=O)[O-])c1C ZINC000900034538 619393760 /nfs/dbraw/zinc/39/37/60/619393760.db2.gz WMZJVNWIZXYMQJ-OAHLLOKOSA-N -1 3 300.383 3.152 20 30 DGEDHM Cc1cccc([C@H](NCc2csc(C#N)c2)C(=O)[O-])c1C ZINC000900034537 619393850 /nfs/dbraw/zinc/39/38/50/619393850.db2.gz WMZJVNWIZXYMQJ-HNNXBMFYSA-N -1 3 300.383 3.152 20 30 DGEDHM COc1ccc2cc(C(=O)N([O-])Cc3ccc(F)cc3)[nH]c2c1 ZINC000900095771 619404000 /nfs/dbraw/zinc/40/40/00/619404000.db2.gz IUWOVYBSBDDCNW-UHFFFAOYSA-N -1 3 314.316 3.347 20 30 DGEDHM Cc1c[nH]nc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096057 619404590 /nfs/dbraw/zinc/40/45/90/619404590.db2.gz PLZIYMAXPYWYJN-UHFFFAOYSA-N -1 3 300.145 3.057 20 30 DGEDHM Cc1cnc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)s1 ZINC000900970032 619462236 /nfs/dbraw/zinc/46/22/36/619462236.db2.gz TUSCWLFOUHRJAJ-SNVBAGLBSA-N -1 3 321.352 3.292 20 30 DGEDHM O=C(C[C@@H]1CCC2(CCC2)CO1)N([O-])Cc1ccc(F)cc1 ZINC000901372549 619488761 /nfs/dbraw/zinc/48/87/61/619488761.db2.gz GQCCKNLDRXIEMI-HNNXBMFYSA-N -1 3 307.365 3.283 20 30 DGEDHM COc1cccc(C(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC000901370207 619490488 /nfs/dbraw/zinc/49/04/88/619490488.db2.gz VEHLGTZPXBECTR-UHFFFAOYSA-N -1 3 308.337 3.275 20 30 DGEDHM CCc1cc(C(=O)N([O-])Cc2cccc3ccccc32)n(C)n1 ZINC000901369321 619490781 /nfs/dbraw/zinc/49/07/81/619490781.db2.gz ATAWGTIMGYIRDC-UHFFFAOYSA-N -1 3 309.369 3.167 20 30 DGEDHM Cc1ccc2c(c1)C=C(C(=O)N([O-])Cc1ccc(F)cc1)CO2 ZINC000901372226 619490923 /nfs/dbraw/zinc/49/09/23/619490923.db2.gz VFVSZNXQGQVGPG-UHFFFAOYSA-N -1 3 313.328 3.328 20 30 DGEDHM COc1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1F ZINC000901375109 619492056 /nfs/dbraw/zinc/49/20/56/619492056.db2.gz CHZZAIAWJFKOJD-UHFFFAOYSA-N -1 3 321.323 3.324 20 30 DGEDHM Cc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000901379388 619492549 /nfs/dbraw/zinc/49/25/49/619492549.db2.gz XAESCTUCRDDSMP-UHFFFAOYSA-N -1 3 304.277 3.074 20 30 DGEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CO1 ZINC000901379455 619492625 /nfs/dbraw/zinc/49/26/25/619492625.db2.gz ZWFAEEGGBYKWDP-SCZZXKLOSA-N -1 3 304.173 3.136 20 30 DGEDHM O=C(C[C@@H]1CCOC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379971 619492731 /nfs/dbraw/zinc/49/27/31/619492731.db2.gz JPQXPZMGTXDQJB-VIFPVBQESA-N -1 3 304.173 3.138 20 30 DGEDHM CCOc1cc(/C=C\C(=O)c2cc(C)n(C)n2)cc(Cl)c1[O-] ZINC000901557692 619515573 /nfs/dbraw/zinc/51/55/73/619515573.db2.gz WFWQFPLUGNUNLP-WAYWQWQTSA-N -1 3 320.776 3.382 20 30 DGEDHM CCOc1cc(/C=C2\C(=O)c3nccn3[C@H]2C)cc(Cl)c1[O-] ZINC000901560812 619516334 /nfs/dbraw/zinc/51/63/34/619516334.db2.gz NGGZOSIKAPKBCR-ISAHRAOESA-N -1 3 318.760 3.482 20 30 DGEDHM C#CCCCCCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000901921671 619561204 /nfs/dbraw/zinc/56/12/04/619561204.db2.gz PNDRZPDTYZVMCT-UHFFFAOYSA-N -1 3 303.377 3.466 20 30 DGEDHM C#CCCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000904020298 619857098 /nfs/dbraw/zinc/85/70/98/619857098.db2.gz FKLLHNIGURRFGY-UHFFFAOYSA-N -1 3 323.392 3.385 20 30 DGEDHM O=C([C@H]1CCc2nccn2C1)N([O-])Cc1cccc2ccccc21 ZINC000904171124 619891681 /nfs/dbraw/zinc/89/16/81/619891681.db2.gz SFUPRNCMKTVPGW-INIZCTEOSA-N -1 3 321.380 3.017 20 30 DGEDHM CC(C)Cn1ccc(C(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000904192891 619895493 /nfs/dbraw/zinc/89/54/93/619895493.db2.gz ZMLADXZXTATJQY-UHFFFAOYSA-N -1 3 307.781 3.224 20 30 DGEDHM O=C([C@@H]1CC12CCOCC2)N([O-])CCCCc1ccccc1 ZINC000904197254 619896699 /nfs/dbraw/zinc/89/66/99/619896699.db2.gz XEDSXZDPMBRCRA-INIZCTEOSA-N -1 3 303.402 3.044 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccc(OCc2ccccn2)cc1 ZINC000904212172 619901107 /nfs/dbraw/zinc/90/11/07/619901107.db2.gz MDHCOAOELAGVMV-UHFFFAOYSA-N -1 3 314.385 3.221 20 30 DGEDHM CC(C)(C)c1coc(C=N[N-]c2nc3cccnc3s2)n1 ZINC000905488259 620003426 /nfs/dbraw/zinc/00/34/26/620003426.db2.gz FLWXHSYGFKBWJA-UHFFFAOYSA-N -1 3 301.375 3.423 20 30 DGEDHM N#Cc1ccc(COC(=O)c2cc(-c3ccco3)[n-]n2)c(F)c1 ZINC000913302416 620434510 /nfs/dbraw/zinc/43/45/10/620434510.db2.gz ZQAASQOHYPTRFV-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM N#Cc1ccc(COC(=O)c2cc(-c3ccco3)n[n-]2)c(F)c1 ZINC000913302416 620434511 /nfs/dbraw/zinc/43/45/11/620434511.db2.gz ZQAASQOHYPTRFV-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM Cc1c([O-])ccc2c(CSc3ccc(C#N)cn3)cc(=O)oc12 ZINC000913615465 620463789 /nfs/dbraw/zinc/46/37/89/620463789.db2.gz ZSMQKWRLKSFDQS-UHFFFAOYSA-N -1 3 324.361 3.366 20 30 DGEDHM [O-]c1c(Cl)cc(Cl)cc1C=NNCCN1CCCCC1 ZINC000915975263 620610423 /nfs/dbraw/zinc/61/04/23/620610423.db2.gz QANBRAIDGATOBC-UHFFFAOYSA-N -1 3 316.232 3.108 20 30 DGEDHM COc1cc(C=NNCc2cccc(F)c2)cc(Cl)c1[O-] ZINC000915965240 620611838 /nfs/dbraw/zinc/61/18/38/620611838.db2.gz KVXOEPJWWJYDJA-UHFFFAOYSA-N -1 3 308.740 3.317 20 30 DGEDHM CCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1OCC ZINC000920942258 620828770 /nfs/dbraw/zinc/82/87/70/620828770.db2.gz UOSVUGJOTNSVEK-UHFFFAOYSA-N -1 3 317.341 3.351 20 30 DGEDHM C=CCCO[N-]C(=O)CCc1ccc(C)cc1Br ZINC000856033256 620955684 /nfs/dbraw/zinc/95/56/84/620955684.db2.gz CEEANKIUNKUAJR-UHFFFAOYSA-N -1 3 312.207 3.314 20 30 DGEDHM N#CC[C@@H](NCc1cccc([O-])c1Br)C(F)(F)F ZINC000922648350 621073464 /nfs/dbraw/zinc/07/34/64/621073464.db2.gz ZKWDMQJWETWWQZ-SECBINFHSA-N -1 3 323.112 3.089 20 30 DGEDHM C[C@@]1(C#N)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000753588704 621451791 /nfs/dbraw/zinc/45/17/91/621451791.db2.gz ZHDXHYJONJLJDY-AWEZNQCLSA-N -1 3 309.207 3.280 20 30 DGEDHM CCCCCCCCNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000754778175 621532178 /nfs/dbraw/zinc/53/21/78/621532178.db2.gz DXWVDZPFWDDCAV-UHFFFAOYSA-N -1 3 317.389 3.052 20 30 DGEDHM CC(C)(C)c1nc(C#N)c(N=NCc2ccc([O-])c(F)c2)o1 ZINC000755675358 621585610 /nfs/dbraw/zinc/58/56/10/621585610.db2.gz QTLOWYWYQVKGMU-UHFFFAOYSA-N -1 3 302.309 3.134 20 30 DGEDHM [O-]c1cccc(Cl)c1CN=Nc1ccc(C(F)(F)F)nn1 ZINC000755815682 621595539 /nfs/dbraw/zinc/59/55/39/621595539.db2.gz JRJRJYAYRMBCEP-UHFFFAOYSA-N -1 3 316.670 3.300 20 30 DGEDHM Cc1ccc(CO[N-]C(=O)CCCc2ccccc2)cc1C#N ZINC000863457795 621675210 /nfs/dbraw/zinc/67/52/10/621675210.db2.gz XTKONHQGKCOVAY-UHFFFAOYSA-N -1 3 308.381 3.437 20 30 DGEDHM C#CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000757064417 621684217 /nfs/dbraw/zinc/68/42/17/621684217.db2.gz KOPYTKQYHAIZQV-INIZCTEOSA-N -1 3 312.344 3.095 20 30 DGEDHM C#CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000757622765 621729238 /nfs/dbraw/zinc/72/92/38/621729238.db2.gz LQFZWCPIRMDHPK-MRXNPFEDSA-N -1 3 316.360 3.023 20 30 DGEDHM CCC(F)(F)C(C)(C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000864345735 621758763 /nfs/dbraw/zinc/75/87/63/621758763.db2.gz FCYWPVMVDRBMDB-CNHKJKLMSA-N -1 3 300.349 3.078 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C2CCC(OC(C)(C)C)CC2)c1[O-] ZINC000864346930 621759369 /nfs/dbraw/zinc/75/93/69/621759369.db2.gz HEPABORCXXTWIL-KEBDBYFISA-N -1 3 320.433 3.133 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=CSCc2ccco2)nc(C)n1 ZINC000759821007 621893451 /nfs/dbraw/zinc/89/34/51/621893451.db2.gz GCAWEASSDBGUMY-VSKVDJIOSA-N -1 3 313.382 3.310 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1-n1cccc1 ZINC000760338587 621933335 /nfs/dbraw/zinc/93/33/35/621933335.db2.gz FDQLOSWJZYPDND-OAHLLOKOSA-N -1 3 302.337 3.066 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc3[nH]ccc3c2)nc(C)n1 ZINC000765913088 622293545 /nfs/dbraw/zinc/29/35/45/622293545.db2.gz RMJLHWQNUPIUAA-DQOPKJQZSA-N -1 3 316.364 3.464 20 30 DGEDHM C=CCCO[N-]C(=O)/C(C)=C\c1ccc(Br)o1 ZINC000869283016 622338336 /nfs/dbraw/zinc/33/83/36/622338336.db2.gz XMUQWBCJUHRJRH-HJWRWDBZSA-N -1 3 300.152 3.069 20 30 DGEDHM CCCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)s1 ZINC000870162582 622437875 /nfs/dbraw/zinc/43/78/75/622437875.db2.gz JVUPXWDWYUVOOV-LBPRGKRZSA-N -1 3 313.382 3.057 20 30 DGEDHM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc([O-])c(F)c1 ZINC000768381524 622453595 /nfs/dbraw/zinc/45/35/95/622453595.db2.gz ZJOKOCZQUAXBKL-UHFFFAOYSA-N -1 3 304.712 3.287 20 30 DGEDHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H]1CCC[C@H]1C#N ZINC000870670183 622493605 /nfs/dbraw/zinc/49/36/05/622493605.db2.gz ACZDFPCIEIOZKC-GXFFZTMASA-N -1 3 300.383 3.371 20 30 DGEDHM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000769653429 622546920 /nfs/dbraw/zinc/54/69/20/622546920.db2.gz QTVASIUKBWZPDK-UHFFFAOYSA-N -1 3 324.380 3.177 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc(Cl)n1 ZINC000123688080 622642686 /nfs/dbraw/zinc/64/26/86/622642686.db2.gz RNHHYEFTIVPZQV-NSHDSACASA-N -1 3 310.744 3.410 20 30 DGEDHM COC(=O)N1CCC[C@H]([C@H](C)/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000773909023 623087705 /nfs/dbraw/zinc/08/77/05/623087705.db2.gz YTBQNHMSWPGFCA-WHFZNLJQSA-N -1 3 324.808 3.331 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000775747233 623321866 /nfs/dbraw/zinc/32/18/66/623321866.db2.gz RNLCMLZIYUGHBY-VIFPVBQESA-N -1 3 323.245 3.412 20 30 DGEDHM C#C[C@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000874862297 623377820 /nfs/dbraw/zinc/37/78/20/623377820.db2.gz BXOBHRDEKCONCA-CTYIDZIISA-N -1 3 303.377 3.162 20 30 DGEDHM CCc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776275397 623405206 /nfs/dbraw/zinc/40/52/06/623405206.db2.gz RSHCUJKKKYHIAW-LBPRGKRZSA-N -1 3 323.348 3.254 20 30 DGEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1F ZINC000778540892 623666071 /nfs/dbraw/zinc/66/60/71/623666071.db2.gz XNELEZFWBRBESU-UHFFFAOYSA-N -1 3 320.389 3.059 20 30 DGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N)cc1[O-] ZINC000876987506 623760261 /nfs/dbraw/zinc/76/02/61/623760261.db2.gz YRJPSVVJXZNQMU-UHFFFAOYSA-N -1 3 323.396 3.144 20 30 DGEDHM COC(=O)c1cccc(NN=C(C)c2cc(F)ccc2[O-])c1 ZINC000779827164 623816901 /nfs/dbraw/zinc/81/69/01/623816901.db2.gz GJLODFFWJVUISH-UHFFFAOYSA-N -1 3 302.305 3.154 20 30 DGEDHM Cc1ccc([O-])c(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000788308591 625121560 /nfs/dbraw/zinc/12/15/60/625121560.db2.gz KDDJQJLDDVNRNJ-UHFFFAOYSA-N -1 3 320.270 3.105 20 30 DGEDHM N#Cc1c(Cl)nsc1NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000882686410 625784556 /nfs/dbraw/zinc/78/45/56/625784556.db2.gz WTKIYXXDCFWDRA-UHFFFAOYSA-N -1 3 321.793 3.043 20 30 DGEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000797455716 626144476 /nfs/dbraw/zinc/14/44/76/626144476.db2.gz DJHGZWNVGBFVCB-JTQLQIEISA-N -1 3 306.214 3.074 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C)CC(C)C ZINC000798584473 626228977 /nfs/dbraw/zinc/22/89/77/626228977.db2.gz SDMVJVWROONXCK-LBPRGKRZSA-N -1 3 318.417 3.434 20 30 DGEDHM C=C(COC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)OCC ZINC000811394410 627270241 /nfs/dbraw/zinc/27/02/41/627270241.db2.gz CPYLFDIXHMYEHH-UHFFFAOYSA-N -1 3 313.762 3.159 20 30 DGEDHM Cc1cc(CC/N=C\c2c([O-])c(C)ncc2CO)ccc1Cl ZINC000812444302 627387208 /nfs/dbraw/zinc/38/72/08/627387208.db2.gz CEOADIGCWKESEJ-OCKHKDLRSA-N -1 3 318.804 3.211 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnn(CC(F)F)c1 ZINC000814187367 627548541 /nfs/dbraw/zinc/54/85/41/627548541.db2.gz HSCUJDRYBRDZDK-OPWUTIMJSA-N -1 3 322.286 3.376 20 30 DGEDHM COc1cc(C=NOCCC2CC2)cc(Br)c1[O-] ZINC000814247166 627553903 /nfs/dbraw/zinc/55/39/03/627553903.db2.gz UNXWPITWXGPKPV-UHFFFAOYSA-N -1 3 314.179 3.314 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000814396796 627562652 /nfs/dbraw/zinc/56/26/52/627562652.db2.gz GFOCKEMPFQRARP-UHFFFAOYSA-N -1 3 323.245 3.269 20 30 DGEDHM Cc1nc(C(C)C)ccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000815233525 627647947 /nfs/dbraw/zinc/64/79/47/627647947.db2.gz MZMFDRDUVJCPNE-UHFFFAOYSA-N -1 3 310.353 3.448 20 30 DGEDHM CC[C@@H](NCc1cn2cc(C)ccc2n1)c1cccc(C#N)c1[O-] ZINC000924951626 627696568 /nfs/dbraw/zinc/69/65/68/627696568.db2.gz SUWMGIWNJVOCEP-QGZVFWFLSA-N -1 3 320.396 3.461 20 30 DGEDHM C#CCCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000819693301 628180252 /nfs/dbraw/zinc/18/02/52/628180252.db2.gz POOBBWJVFARGBD-UHFFFAOYSA-N -1 3 309.295 3.101 20 30 DGEDHM CCCC[C@@H](ON=C(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928709056 628180426 /nfs/dbraw/zinc/18/04/26/628180426.db2.gz WWEVSAHZTZGLNB-OAHLLOKOSA-N -1 3 310.369 3.119 20 30 DGEDHM C#Cc1cccc(N(CC)Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000819710111 628181788 /nfs/dbraw/zinc/18/17/88/628181788.db2.gz WIBSPUJSCLALQQ-UHFFFAOYSA-N -1 3 321.359 3.014 20 30 DGEDHM C#Cc1cccc(N(CC)Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000819710111 628181791 /nfs/dbraw/zinc/18/17/91/628181791.db2.gz WIBSPUJSCLALQQ-UHFFFAOYSA-N -1 3 321.359 3.014 20 30 DGEDHM C=CCC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000819734077 628183707 /nfs/dbraw/zinc/18/37/07/628183707.db2.gz HRUNEXYLCDTWBZ-OAHLLOKOSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000819734077 628183713 /nfs/dbraw/zinc/18/37/13/628183713.db2.gz HRUNEXYLCDTWBZ-OAHLLOKOSA-N -1 3 306.373 3.381 20 30 DGEDHM CCCCCC[C@@H](C)NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000821049565 628332267 /nfs/dbraw/zinc/33/22/67/628332267.db2.gz LQLQIAKERHQLEG-CYBMUJFWSA-N -1 3 300.410 3.149 20 30 DGEDHM CCCCCC[C@@H](C)NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000821049565 628332269 /nfs/dbraw/zinc/33/22/69/628332269.db2.gz LQLQIAKERHQLEG-CYBMUJFWSA-N -1 3 300.410 3.149 20 30 DGEDHM COc1ccc(-c2nnn[n-]2)cc1CSc1ccc(C#N)cc1 ZINC000821752648 628395065 /nfs/dbraw/zinc/39/50/65/628395065.db2.gz PEQQEBWDHLLJJT-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccc(C#N)cc1 ZINC000821752648 628395067 /nfs/dbraw/zinc/39/50/67/628395067.db2.gz PEQQEBWDHLLJJT-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc(C[C@H](C#N)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822235144 628431895 /nfs/dbraw/zinc/43/18/95/628431895.db2.gz VEQLJAFSVAREAZ-MRXNPFEDSA-N -1 3 321.409 3.402 20 30 DGEDHM Cc1ccc(C[C@H](C#N)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822235144 628431897 /nfs/dbraw/zinc/43/18/97/628431897.db2.gz VEQLJAFSVAREAZ-MRXNPFEDSA-N -1 3 321.409 3.402 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822379450 628445797 /nfs/dbraw/zinc/44/57/97/628445797.db2.gz OHMUHZDUYRBDGQ-PLNGDYQASA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822379450 628445800 /nfs/dbraw/zinc/44/58/00/628445800.db2.gz OHMUHZDUYRBDGQ-PLNGDYQASA-N -1 3 314.345 3.272 20 30 DGEDHM Clc1ccccc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822589851 628468731 /nfs/dbraw/zinc/46/87/31/628468731.db2.gz BADATPHPSBWWEL-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1ccccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822589851 628468734 /nfs/dbraw/zinc/46/87/34/628468734.db2.gz BADATPHPSBWWEL-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Fc1ccccc1C1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822791585 628495516 /nfs/dbraw/zinc/49/55/16/628495516.db2.gz JNTKZTYGFJTABJ-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM Fc1ccccc1C1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822791585 628495519 /nfs/dbraw/zinc/49/55/19/628495519.db2.gz JNTKZTYGFJTABJ-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000822922052 628509421 /nfs/dbraw/zinc/50/94/21/628509421.db2.gz CGKJPKDHZVGQMU-SREVYHEPSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000822922052 628509423 /nfs/dbraw/zinc/50/94/23/628509423.db2.gz CGKJPKDHZVGQMU-SREVYHEPSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1c[nH]c2ccccc12 ZINC000822922305 628509434 /nfs/dbraw/zinc/50/94/34/628509434.db2.gz FKIZFIBWGYOIHD-WAYWQWQTSA-N -1 3 321.365 3.306 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1c[nH]c2ccccc12 ZINC000822922305 628509438 /nfs/dbraw/zinc/50/94/38/628509438.db2.gz FKIZFIBWGYOIHD-WAYWQWQTSA-N -1 3 321.365 3.306 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823504941 628570179 /nfs/dbraw/zinc/57/01/79/628570179.db2.gz VUUFPARBOGWSMG-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000823504941 628570181 /nfs/dbraw/zinc/57/01/81/628570181.db2.gz VUUFPARBOGWSMG-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM C#CCCNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823844656 628602324 /nfs/dbraw/zinc/60/23/24/628602324.db2.gz FNBAPTFJOGDXCX-UHFFFAOYSA-N -1 3 323.331 3.233 20 30 DGEDHM C#CCCNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823844656 628602327 /nfs/dbraw/zinc/60/23/27/628602327.db2.gz FNBAPTFJOGDXCX-UHFFFAOYSA-N -1 3 323.331 3.233 20 30 DGEDHM C=CCC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894485 628608140 /nfs/dbraw/zinc/60/81/40/628608140.db2.gz RJAYTSWTRQSGGI-LPQFERQCSA-N -1 3 324.384 3.168 20 30 DGEDHM C=CCC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894485 628608141 /nfs/dbraw/zinc/60/81/41/628608141.db2.gz RJAYTSWTRQSGGI-LPQFERQCSA-N -1 3 324.384 3.168 20 30 DGEDHM C=CCN(Cc1cccs1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000823919578 628610411 /nfs/dbraw/zinc/61/04/11/628610411.db2.gz KUNUMSIKAPHANC-UHFFFAOYSA-N -1 3 317.443 3.178 20 30 DGEDHM C=CCN(Cc1cccs1)Cc1ccc(-c2nn[n-]n2)s1 ZINC000823919578 628610415 /nfs/dbraw/zinc/61/04/15/628610415.db2.gz KUNUMSIKAPHANC-UHFFFAOYSA-N -1 3 317.443 3.178 20 30 DGEDHM CC(=NN[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953928 628612871 /nfs/dbraw/zinc/61/28/71/628612871.db2.gz VYBCCXLQLVTYPH-NSHDSACASA-N -1 3 324.363 3.081 20 30 DGEDHM CC(=NN[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953928 628612874 /nfs/dbraw/zinc/61/28/74/628612874.db2.gz VYBCCXLQLVTYPH-NSHDSACASA-N -1 3 324.363 3.081 20 30 DGEDHM CC(C)[C@@H]1CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824216646 628638179 /nfs/dbraw/zinc/63/81/79/628638179.db2.gz UJXZVCPLBRFPGM-JTQLQIEISA-N -1 3 319.800 3.139 20 30 DGEDHM CC(C)[C@@H]1CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824216646 628638180 /nfs/dbraw/zinc/63/81/80/628638180.db2.gz UJXZVCPLBRFPGM-JTQLQIEISA-N -1 3 319.800 3.139 20 30 DGEDHM CC[C@@H]1CCCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825195685 628736776 /nfs/dbraw/zinc/73/67/76/628736776.db2.gz XVTNDHPCFMJYHW-SECBINFHSA-N -1 3 319.800 3.283 20 30 DGEDHM CC[C@@H]1CCCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825195685 628736778 /nfs/dbraw/zinc/73/67/78/628736778.db2.gz XVTNDHPCFMJYHW-SECBINFHSA-N -1 3 319.800 3.283 20 30 DGEDHM CCCCCC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825266313 628744136 /nfs/dbraw/zinc/74/41/36/628744136.db2.gz DWNXHLWUIHCYSZ-UHFFFAOYSA-N -1 3 307.789 3.283 20 30 DGEDHM CCCCCC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825266313 628744137 /nfs/dbraw/zinc/74/41/37/628744137.db2.gz DWNXHLWUIHCYSZ-UHFFFAOYSA-N -1 3 307.789 3.283 20 30 DGEDHM COc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000826208181 628832791 /nfs/dbraw/zinc/83/27/91/628832791.db2.gz XGVJENUKUGHFIW-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000826208181 628832792 /nfs/dbraw/zinc/83/27/92/628832792.db2.gz XGVJENUKUGHFIW-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826189904 628833025 /nfs/dbraw/zinc/83/30/25/628833025.db2.gz IVWWHBPTSAZGMD-CMDGGOBGSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826189904 628833029 /nfs/dbraw/zinc/83/30/29/628833029.db2.gz IVWWHBPTSAZGMD-CMDGGOBGSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)O2 ZINC000826273058 628837860 /nfs/dbraw/zinc/83/78/60/628837860.db2.gz NYRPAJJXQHTLSL-CXUHLZMHSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)O2 ZINC000826273058 628837866 /nfs/dbraw/zinc/83/78/66/628837866.db2.gz NYRPAJJXQHTLSL-CXUHLZMHSA-N -1 3 318.336 3.100 20 30 DGEDHM Fc1ccc(CC=CN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826374395 628848831 /nfs/dbraw/zinc/84/88/31/628848831.db2.gz XNXZTLCBXOXOTM-ZMNMEELTSA-N -1 3 308.320 3.117 20 30 DGEDHM Fc1ccc(CC=CN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826374395 628848834 /nfs/dbraw/zinc/84/88/34/628848834.db2.gz XNXZTLCBXOXOTM-ZMNMEELTSA-N -1 3 308.320 3.117 20 30 DGEDHM Fc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826374298 628849672 /nfs/dbraw/zinc/84/96/72/628849672.db2.gz UAACZARFECVQHB-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826374298 628849673 /nfs/dbraw/zinc/84/96/73/628849673.db2.gz UAACZARFECVQHB-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#CCc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826382513 628850497 /nfs/dbraw/zinc/85/04/97/628850497.db2.gz HWLZPLWQIAAEAG-UHFFFAOYSA-N -1 3 324.775 3.198 20 30 DGEDHM N#CCc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826382513 628850501 /nfs/dbraw/zinc/85/05/01/628850501.db2.gz HWLZPLWQIAAEAG-UHFFFAOYSA-N -1 3 324.775 3.198 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000826401076 628851510 /nfs/dbraw/zinc/85/15/10/628851510.db2.gz OYEJEYMAJGRGKO-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000826401076 628851512 /nfs/dbraw/zinc/85/15/12/628851512.db2.gz OYEJEYMAJGRGKO-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM CCC[C@@](C)(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000829193638 629139371 /nfs/dbraw/zinc/13/93/71/629139371.db2.gz BPPZSQQUVORBIH-OAHLLOKOSA-N -1 3 313.319 3.290 20 30 DGEDHM C[C@@H](C(=O)[N-][C@H](c1cccc(C#N)c1)C(F)(F)F)C(F)(F)F ZINC000831106538 629338740 /nfs/dbraw/zinc/33/87/40/629338740.db2.gz MXFLDWSTMWTZQS-OIBJUYFYSA-N -1 3 324.224 3.476 20 30 DGEDHM N#Cc1cccc([C@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F)c1 ZINC000831112320 629339843 /nfs/dbraw/zinc/33/98/43/629339843.db2.gz KNBCSOXTSVOURF-JTQLQIEISA-N -1 3 310.197 3.230 20 30 DGEDHM C=CC(C)(C)CCCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000832721866 629507698 /nfs/dbraw/zinc/50/76/98/629507698.db2.gz QGJJLJMINHIYBC-UHFFFAOYSA-N -1 3 307.390 3.132 20 30 DGEDHM Cc1cc([O-])c(C=NN2C(=S)N=NC2C(C)(C)C)c(Cl)c1 ZINC000841607405 630448099 /nfs/dbraw/zinc/44/80/99/630448099.db2.gz DLQBYHOPARVODF-UHFFFAOYSA-N -1 3 324.837 3.414 20 30 DGEDHM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1OC(C)C ZINC000846929745 631357510 /nfs/dbraw/zinc/35/75/10/631357510.db2.gz YRTZSHJUGNQXGV-OAHLLOKOSA-N -1 3 310.344 3.374 20 30 DGEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)C(C)C ZINC000846946891 631361771 /nfs/dbraw/zinc/36/17/71/631361771.db2.gz WFPZQYOGPZHPDA-CYBMUJFWSA-N -1 3 310.344 3.230 20 30 DGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cnsn1 ZINC000108240065 631828361 /nfs/dbraw/zinc/82/83/61/631828361.db2.gz WVVXIYBYYABUBF-VIFPVBQESA-N -1 3 304.400 3.042 20 30 DGEDHM CS(=O)(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255021431 655563542 /nfs/dbraw/zinc/56/35/42/655563542.db2.gz WRWHPBNOMLPMFT-UHFFFAOYSA-N -1 3 309.774 3.200 20 30 DGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000255331410 655701580 /nfs/dbraw/zinc/70/15/80/655701580.db2.gz LYYBBCMEJAEAEK-CDNLZTBQSA-N -1 3 324.359 3.033 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cccc(Cl)c2F)c1 ZINC000811188264 661231180 /nfs/dbraw/zinc/23/11/80/661231180.db2.gz XUPBRWVEEXUPEE-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM COc1ccc(Cl)c(COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811186704 661231217 /nfs/dbraw/zinc/23/12/17/661231217.db2.gz VHONTGBRPPFQFD-UHFFFAOYSA-N -1 3 317.728 3.283 20 30 DGEDHM CC[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccccc1 ZINC000811187465 661231229 /nfs/dbraw/zinc/23/12/29/661231229.db2.gz RTUZNJKOSCQGDB-INIZCTEOSA-N -1 3 309.321 3.082 20 30 DGEDHM CC(C)Oc1ccccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187266 661231234 /nfs/dbraw/zinc/23/12/34/661231234.db2.gz NEESMJWCMWCFQR-UHFFFAOYSA-N -1 3 311.337 3.408 20 30 DGEDHM CCCCc1nc(COC(=O)c2cc([O-])cc(C#N)c2)cs1 ZINC000811188563 661231346 /nfs/dbraw/zinc/23/13/46/661231346.db2.gz OSCSCGJGGBHJKI-UHFFFAOYSA-N -1 3 316.382 3.420 20 30 DGEDHM C=C(Cl)CN1CCC[C@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC000948200619 659988485 /nfs/dbraw/zinc/98/84/85/659988485.db2.gz MNIQNUGBQNRCRM-AWEZNQCLSA-N -1 3 322.836 3.071 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000192625718 662106498 /nfs/dbraw/zinc/10/64/98/662106498.db2.gz GYXNMUQEWDVFRH-UHFFFAOYSA-N -1 3 320.348 3.002 20 30 DGEDHM Cc1nsc([N-]C(=O)c2ncc(Cl)cc2Cl)c1C#N ZINC001585892039 1192288922 /nfs/dbraw/zinc/28/89/22/1192288922.db2.gz AWONVPRVHIRSLE-UHFFFAOYSA-N -1 3 313.169 3.277 20 30 DGEDHM C=C(C)CCN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588424779 1192447896 /nfs/dbraw/zinc/44/78/96/1192447896.db2.gz MRKWATODLAIVGA-LBPRGKRZSA-N -1 3 311.311 3.026 20 30 DGEDHM C=C(C)CCN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588424779 1192447898 /nfs/dbraw/zinc/44/78/98/1192447898.db2.gz MRKWATODLAIVGA-LBPRGKRZSA-N -1 3 311.311 3.026 20 30 DGEDHM C=C1CCC(CNc2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC001588462870 1192448017 /nfs/dbraw/zinc/44/80/17/1192448017.db2.gz SFGDCTBRZOFCKM-UHFFFAOYSA-N -1 3 318.812 3.382 20 30 DGEDHM C=C1CCC(CNc2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC001588462870 1192448019 /nfs/dbraw/zinc/44/80/19/1192448019.db2.gz SFGDCTBRZOFCKM-UHFFFAOYSA-N -1 3 318.812 3.382 20 30 DGEDHM C=C(C)CCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001588425068 1192447717 /nfs/dbraw/zinc/44/77/17/1192447717.db2.gz UUZAZPDCDSGJTR-UHFFFAOYSA-N -1 3 301.419 3.199 20 30 DGEDHM C=C(C)CCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001588425068 1192447720 /nfs/dbraw/zinc/44/77/20/1192447720.db2.gz UUZAZPDCDSGJTR-UHFFFAOYSA-N -1 3 301.419 3.199 20 30 DGEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001588456664 1192447801 /nfs/dbraw/zinc/44/78/01/1192447801.db2.gz SSWYSHDJSKDMIW-GASCZTMLSA-N -1 3 318.384 3.102 20 30 DGEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001588456664 1192447803 /nfs/dbraw/zinc/44/78/03/1192447803.db2.gz SSWYSHDJSKDMIW-GASCZTMLSA-N -1 3 318.384 3.102 20 30 DGEDHM C=C(CC(C)C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588442626 1192447846 /nfs/dbraw/zinc/44/78/46/1192447846.db2.gz QDBQVQMHLNZIRI-UHFFFAOYSA-N -1 3 311.389 3.285 20 30 DGEDHM C=C(CC(C)C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588442626 1192447850 /nfs/dbraw/zinc/44/78/50/1192447850.db2.gz QDBQVQMHLNZIRI-UHFFFAOYSA-N -1 3 311.389 3.285 20 30 DGEDHM CC(=NNc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588780938 1192454193 /nfs/dbraw/zinc/45/41/93/1192454193.db2.gz UNTIJUDMJZJCKB-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(=NNc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588780938 1192454194 /nfs/dbraw/zinc/45/41/94/1192454194.db2.gz UNTIJUDMJZJCKB-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(C)(C#N)CCCCOc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589033662 1192456033 /nfs/dbraw/zinc/45/60/33/1192456033.db2.gz IUPXEBBVPRVSAH-UHFFFAOYSA-N -1 3 303.341 3.105 20 30 DGEDHM CC(C)(C#N)CCCCOc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589033662 1192456036 /nfs/dbraw/zinc/45/60/36/1192456036.db2.gz IUPXEBBVPRVSAH-UHFFFAOYSA-N -1 3 303.341 3.105 20 30 DGEDHM CC(C)(C#N)CCCOc1cnc2cccc(-c3nnn[n-]3)c2c1 ZINC001589034266 1192456200 /nfs/dbraw/zinc/45/62/00/1192456200.db2.gz VONWPQKBXKKZBO-UHFFFAOYSA-N -1 3 322.372 3.124 20 30 DGEDHM CC(C)(C#N)CCCOc1cnc2cccc(-c3nn[n-]n3)c2c1 ZINC001589034266 1192456202 /nfs/dbraw/zinc/45/62/02/1192456202.db2.gz VONWPQKBXKKZBO-UHFFFAOYSA-N -1 3 322.372 3.124 20 30 DGEDHM CC(C)[C@@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001589507532 1192465714 /nfs/dbraw/zinc/46/57/14/1192465714.db2.gz NCAHUQUKAFAMEH-CYBMUJFWSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)[C@@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001589507532 1192465718 /nfs/dbraw/zinc/46/57/18/1192465718.db2.gz NCAHUQUKAFAMEH-CYBMUJFWSA-N -1 3 310.405 3.001 20 30 DGEDHM C[C@H](Nc1ccc(F)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589982605 1192481146 /nfs/dbraw/zinc/48/11/46/1192481146.db2.gz ZCRVWOZZMHQMEW-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1ccc(F)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589982605 1192481148 /nfs/dbraw/zinc/48/11/48/1192481148.db2.gz ZCRVWOZZMHQMEW-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590161779 1192490468 /nfs/dbraw/zinc/49/04/68/1192490468.db2.gz ICMGBFYGVDCVGX-CEITULEQSA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590161779 1192490471 /nfs/dbraw/zinc/49/04/71/1192490471.db2.gz ICMGBFYGVDCVGX-CEITULEQSA-N -1 3 320.327 3.389 20 30 DGEDHM CCC1CCC(CNc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001590504209 1192516233 /nfs/dbraw/zinc/51/62/33/1192516233.db2.gz DXOUDVVPJBVGEL-UHFFFAOYSA-N -1 3 310.405 3.367 20 30 DGEDHM CCC1CCC(CNc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001590504209 1192516235 /nfs/dbraw/zinc/51/62/35/1192516235.db2.gz DXOUDVVPJBVGEL-UHFFFAOYSA-N -1 3 310.405 3.367 20 30 DGEDHM CCCCCCCOC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001590594681 1192529350 /nfs/dbraw/zinc/52/93/50/1192529350.db2.gz RWCXZUMUTNUPAW-UHFFFAOYSA-N -1 3 316.405 3.313 20 30 DGEDHM CCCCCCCOC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001590594681 1192529352 /nfs/dbraw/zinc/52/93/52/1192529352.db2.gz RWCXZUMUTNUPAW-UHFFFAOYSA-N -1 3 316.405 3.313 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590834745 1192537468 /nfs/dbraw/zinc/53/74/68/1192537468.db2.gz VBYUYMLRQPGHGY-IZZDOVSWSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590834745 1192537470 /nfs/dbraw/zinc/53/74/70/1192537470.db2.gz VBYUYMLRQPGHGY-IZZDOVSWSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(NN=C(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590838907 1192544848 /nfs/dbraw/zinc/54/48/48/1192544848.db2.gz LGRWLHUKVHMJPL-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CCOc1ccc(NN=C(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590838907 1192544870 /nfs/dbraw/zinc/54/48/70/1192544870.db2.gz LGRWLHUKVHMJPL-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001591582874 1192567642 /nfs/dbraw/zinc/56/76/42/1192567642.db2.gz RMIADVMODLMTIQ-OQFOIZHKSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001591582874 1192567644 /nfs/dbraw/zinc/56/76/44/1192567644.db2.gz RMIADVMODLMTIQ-OQFOIZHKSA-N -1 3 320.352 3.080 20 30 DGEDHM CSc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001591707285 1192570874 /nfs/dbraw/zinc/57/08/74/1192570874.db2.gz CNHIPBVEIIHQKI-UHFFFAOYSA-N -1 3 310.386 3.035 20 30 DGEDHM CSc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001591707285 1192570878 /nfs/dbraw/zinc/57/08/78/1192570878.db2.gz CNHIPBVEIIHQKI-UHFFFAOYSA-N -1 3 310.386 3.035 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591905835 1192579710 /nfs/dbraw/zinc/57/97/10/1192579710.db2.gz KEVATOAIFXTVHN-UHFFFAOYSA-N -1 3 322.347 3.106 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591905835 1192579715 /nfs/dbraw/zinc/57/97/15/1192579715.db2.gz KEVATOAIFXTVHN-UHFFFAOYSA-N -1 3 322.347 3.106 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC001591958241 1192584060 /nfs/dbraw/zinc/58/40/60/1192584060.db2.gz BDCCLRKJONIDMN-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC001591958241 1192584064 /nfs/dbraw/zinc/58/40/64/1192584064.db2.gz BDCCLRKJONIDMN-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc2c(NNc3cccc(-c4nnn[n-]4)c3)csc2c1 ZINC001592205505 1192602125 /nfs/dbraw/zinc/60/21/25/1192602125.db2.gz NUYITUPCTVIZAL-UHFFFAOYSA-N -1 3 322.397 3.097 20 30 DGEDHM Cc1ccc2c(NNc3cccc(-c4nn[n-]n4)c3)csc2c1 ZINC001592205505 1192602129 /nfs/dbraw/zinc/60/21/29/1192602129.db2.gz NUYITUPCTVIZAL-UHFFFAOYSA-N -1 3 322.397 3.097 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cccc(Cl)c1 ZINC001592699856 1192627284 /nfs/dbraw/zinc/62/72/84/1192627284.db2.gz PORBHZBPEHAJID-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cccc(Cl)c1 ZINC001592699856 1192627286 /nfs/dbraw/zinc/62/72/86/1192627286.db2.gz PORBHZBPEHAJID-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001592795305 1192627292 /nfs/dbraw/zinc/62/72/92/1192627292.db2.gz XOGMCVOAHDKMIU-RUDMXATFSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001592795305 1192627293 /nfs/dbraw/zinc/62/72/93/1192627293.db2.gz XOGMCVOAHDKMIU-RUDMXATFSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592796147 1192627356 /nfs/dbraw/zinc/62/73/56/1192627356.db2.gz UDQMOZNAXYBRMI-MVTUOISNSA-N -1 3 302.337 3.319 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592796147 1192627359 /nfs/dbraw/zinc/62/73/59/1192627359.db2.gz UDQMOZNAXYBRMI-MVTUOISNSA-N -1 3 302.337 3.319 20 30 DGEDHM N#Cc1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)s1 ZINC001592694157 1192625698 /nfs/dbraw/zinc/62/56/98/1192625698.db2.gz NFEXQROXAOEOBI-UHFFFAOYSA-N -1 3 317.761 3.032 20 30 DGEDHM N#Cc1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC001592694157 1192625702 /nfs/dbraw/zinc/62/57/02/1192625702.db2.gz NFEXQROXAOEOBI-UHFFFAOYSA-N -1 3 317.761 3.032 20 30 DGEDHM N#CCC1(CSc2cccc(-c3nnn[n-]3)c2Cl)CC1 ZINC001592674910 1192626241 /nfs/dbraw/zinc/62/62/41/1192626241.db2.gz IUFMWPJHVIBWHX-UHFFFAOYSA-N -1 3 305.794 3.306 20 30 DGEDHM N#CCC1(CSc2cccc(-c3nn[n-]n3)c2Cl)CC1 ZINC001592674910 1192626245 /nfs/dbraw/zinc/62/62/45/1192626245.db2.gz IUFMWPJHVIBWHX-UHFFFAOYSA-N -1 3 305.794 3.306 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001592797021 1192627672 /nfs/dbraw/zinc/62/76/72/1192627672.db2.gz YXRGHRJCDDSPNJ-XFRMRLMGSA-N -1 3 302.337 3.319 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001592797021 1192627674 /nfs/dbraw/zinc/62/76/74/1192627674.db2.gz YXRGHRJCDDSPNJ-XFRMRLMGSA-N -1 3 302.337 3.319 20 30 DGEDHM O=C(C=Cc1sccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC001592803463 1192627768 /nfs/dbraw/zinc/62/77/68/1192627768.db2.gz MKGBBDSOIVASNN-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1sccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC001592803463 1192627770 /nfs/dbraw/zinc/62/77/70/1192627770.db2.gz MKGBBDSOIVASNN-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM c1cc(-c2nnn[n-]2)ccc1N=NC1C2CC3CC(C2)CC1C3 ZINC001593550055 1192633006 /nfs/dbraw/zinc/63/30/06/1192633006.db2.gz FRIPVVDEBGOZPO-UHFFFAOYSA-N -1 3 308.389 3.091 20 30 DGEDHM c1cc(-c2nn[n-]n2)ccc1N=NC1C2CC3CC(C2)CC1C3 ZINC001593550055 1192633007 /nfs/dbraw/zinc/63/30/07/1192633007.db2.gz FRIPVVDEBGOZPO-UHFFFAOYSA-N -1 3 308.389 3.091 20 30 DGEDHM CC(C)c1nnc([N-]C(=O)c2cc(F)c(C#N)c(F)c2)s1 ZINC001597176491 1192721562 /nfs/dbraw/zinc/72/15/62/1192721562.db2.gz YIRVRMDWZOMIOG-UHFFFAOYSA-N -1 3 308.313 3.064 20 30 DGEDHM Cc1cc(CN2CCC(c3ccc(C#N)cc3)CC2)[nH]c1C(=O)[O-] ZINC001600192280 1192801370 /nfs/dbraw/zinc/80/13/70/1192801370.db2.gz CHHYZYPMJDGIER-UHFFFAOYSA-N -1 3 323.396 3.273 20 30 DGEDHM Cc1ccc(CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1C#N ZINC001600419458 1192849490 /nfs/dbraw/zinc/84/94/90/1192849490.db2.gz IPBLSLDRLMMWFX-CQSZACIVSA-N -1 3 324.380 3.008 20 30 DGEDHM N#CCCC[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001601064790 1192915825 /nfs/dbraw/zinc/91/58/25/1192915825.db2.gz JMMNXXFKPFMWRF-MRXNPFEDSA-N -1 3 309.369 3.305 20 30 DGEDHM N#Cc1ccc(CN(CCCC(=O)[O-])Cc2ccccc2)s1 ZINC001601097794 1192918791 /nfs/dbraw/zinc/91/87/91/1192918791.db2.gz LDRRNSXYPFOAHH-UHFFFAOYSA-N -1 3 314.410 3.487 20 30 DGEDHM N#Cc1cccc([C@@H](NCc2ccc(C(F)F)cc2)C(=O)[O-])c1 ZINC001601118673 1192920254 /nfs/dbraw/zinc/92/02/54/1192920254.db2.gz MNOIGKWYJONVBR-OAHLLOKOSA-N -1 3 316.307 3.411 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1sc(C)nc1CC(C)C ZINC001344325645 1179414432 /nfs/dbraw/zinc/41/44/32/1179414432.db2.gz ADXYEIZWWLOBLD-GFCCVEGCSA-N -1 3 316.430 3.357 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccco1)c1nccn1Cc1ccccc1 ZINC001347076482 1179774163 /nfs/dbraw/zinc/77/41/63/1179774163.db2.gz RZIKIRABSCSIEO-KBOKABMXSA-N -1 3 317.348 3.414 20 30 DGEDHM C#C[C@H](Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001602691538 1192994277 /nfs/dbraw/zinc/99/42/77/1192994277.db2.gz ZDWMVENKVQKCHI-AWEZNQCLSA-N -1 3 324.775 3.010 20 30 DGEDHM C#C[C@H](Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001602691538 1192994280 /nfs/dbraw/zinc/99/42/80/1192994280.db2.gz ZDWMVENKVQKCHI-AWEZNQCLSA-N -1 3 324.775 3.010 20 30 DGEDHM C#C[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001602681818 1192994416 /nfs/dbraw/zinc/99/44/16/1192994416.db2.gz XKBYPQZCGSQKNU-CQSZACIVSA-N -1 3 309.365 3.490 20 30 DGEDHM C=C1CCC(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC001602774980 1192996649 /nfs/dbraw/zinc/99/66/49/1192996649.db2.gz DEBONKQXDIDHPU-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=C1CCC(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC001602774980 1192996652 /nfs/dbraw/zinc/99/66/52/1192996652.db2.gz DEBONKQXDIDHPU-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602816081 1192998318 /nfs/dbraw/zinc/99/83/18/1192998318.db2.gz HURPPMVMWPUVDM-UHFFFAOYSA-N -1 3 323.400 3.451 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602816081 1192998325 /nfs/dbraw/zinc/99/83/25/1192998325.db2.gz HURPPMVMWPUVDM-UHFFFAOYSA-N -1 3 323.400 3.451 20 30 DGEDHM C=CCCCSc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001602839940 1192999585 /nfs/dbraw/zinc/99/95/85/1192999585.db2.gz MTKIEKQVGPHNHQ-UHFFFAOYSA-N -1 3 315.324 3.339 20 30 DGEDHM C=CCCCSc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001602839940 1192999587 /nfs/dbraw/zinc/99/95/87/1192999587.db2.gz MTKIEKQVGPHNHQ-UHFFFAOYSA-N -1 3 315.324 3.339 20 30 DGEDHM C=CC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccncc1 ZINC001602843218 1193000052 /nfs/dbraw/zinc/00/00/52/1193000052.db2.gz WNVUACGRMXWKLR-WBMJQRKESA-N -1 3 312.369 3.453 20 30 DGEDHM C[C@@H](ON=Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001603709763 1193026811 /nfs/dbraw/zinc/02/68/11/1193026811.db2.gz GJKLCJYMIPZFPD-LLVKDONJSA-N -1 3 311.320 3.118 20 30 DGEDHM C[C@@H](ON=Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001603709763 1193026814 /nfs/dbraw/zinc/02/68/14/1193026814.db2.gz GJKLCJYMIPZFPD-LLVKDONJSA-N -1 3 311.320 3.118 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccccc1-c1nnn[n-]1 ZINC001603826857 1193033733 /nfs/dbraw/zinc/03/37/33/1193033733.db2.gz OIMPUHADINLKOX-FFCYNSPCSA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccccc1-c1nn[n-]n1 ZINC001603826857 1193033734 /nfs/dbraw/zinc/03/37/34/1193033734.db2.gz OIMPUHADINLKOX-FFCYNSPCSA-N -1 3 302.337 3.250 20 30 DGEDHM CCOc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001604464819 1193073494 /nfs/dbraw/zinc/07/34/94/1193073494.db2.gz HGZXEORERHMZCB-FLIBITNWSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001604464819 1193073495 /nfs/dbraw/zinc/07/34/95/1193073495.db2.gz HGZXEORERHMZCB-FLIBITNWSA-N -1 3 320.352 3.162 20 30 DGEDHM C#CCN(Cc1nc(C)cc(=O)[n-]1)[C@@H]1CCCc2ccccc21 ZINC001473826019 1181581478 /nfs/dbraw/zinc/58/14/78/1181581478.db2.gz JBMJBTJZTHQVAC-QGZVFWFLSA-N -1 3 307.397 3.003 20 30 DGEDHM N#Cc1cc(C(=O)[N-]c2c3nsnc3ccc2Cl)co1 ZINC001435251915 1181799039 /nfs/dbraw/zinc/79/90/39/1181799039.db2.gz IBDHVNZZNRSISC-UHFFFAOYSA-N -1 3 304.718 3.062 20 30 DGEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001605382998 1193146002 /nfs/dbraw/zinc/14/60/02/1193146002.db2.gz VGCXIIKCWZYTKO-WCIBSUBMSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001605382998 1193146006 /nfs/dbraw/zinc/14/60/06/1193146006.db2.gz VGCXIIKCWZYTKO-WCIBSUBMSA-N -1 3 322.393 3.485 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001454240543 1182333144 /nfs/dbraw/zinc/33/31/44/1182333144.db2.gz SFAOLXSKDQJYCJ-UHFFFAOYSA-N -1 3 311.381 3.432 20 30 DGEDHM Cc1cc(NCc2c(C)cc(C#N)cc2C)cc(-c2nnn[n-]2)c1 ZINC001605738185 1193167456 /nfs/dbraw/zinc/16/74/56/1193167456.db2.gz KEXCLMBLLWIMDN-UHFFFAOYSA-N -1 3 318.384 3.276 20 30 DGEDHM Cc1cc(NCc2c(C)cc(C#N)cc2C)cc(-c2nn[n-]n2)c1 ZINC001605738185 1193167461 /nfs/dbraw/zinc/16/74/61/1193167461.db2.gz KEXCLMBLLWIMDN-UHFFFAOYSA-N -1 3 318.384 3.276 20 30 DGEDHM N#Cc1cc(C(F)(F)F)cc(NCc2c([O-])cccc2F)n1 ZINC001458624663 1182544866 /nfs/dbraw/zinc/54/48/66/1182544866.db2.gz YAQOSQWBRHWWCA-UHFFFAOYSA-N -1 3 311.238 3.429 20 30 DGEDHM Cc1cc2cc(Nc3c(C#N)cccc3-c3nnn[n-]3)ccc2[nH]1 ZINC001605757476 1193169908 /nfs/dbraw/zinc/16/99/08/1193169908.db2.gz ZGODAQZVZYHLKA-UHFFFAOYSA-N -1 3 315.340 3.272 20 30 DGEDHM Cc1cc2cc(Nc3c(C#N)cccc3-c3nn[n-]n3)ccc2[nH]1 ZINC001605757476 1193169914 /nfs/dbraw/zinc/16/99/14/1193169914.db2.gz ZGODAQZVZYHLKA-UHFFFAOYSA-N -1 3 315.340 3.272 20 30 DGEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001606377875 1193199724 /nfs/dbraw/zinc/19/97/24/1193199724.db2.gz UUMSXQILHWEJIG-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001606377875 1193199727 /nfs/dbraw/zinc/19/97/27/1193199727.db2.gz UUMSXQILHWEJIG-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1ccc2c(c1)CCC2 ZINC001606380297 1193200124 /nfs/dbraw/zinc/20/01/24/1193200124.db2.gz YIBTUXUZBGWEPY-UHFFFAOYSA-N -1 3 319.393 3.378 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1ccc2c(c1)CCC2 ZINC001606380297 1193200125 /nfs/dbraw/zinc/20/01/25/1193200125.db2.gz YIBTUXUZBGWEPY-UHFFFAOYSA-N -1 3 319.393 3.378 20 30 DGEDHM C#CC1([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CCCC1 ZINC001464358241 1183087074 /nfs/dbraw/zinc/08/70/74/1183087074.db2.gz YNZZICNIECIVKJ-UHFFFAOYSA-N -1 3 321.373 3.105 20 30 DGEDHM N#CCSc1cccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001468310059 1183324193 /nfs/dbraw/zinc/32/41/93/1183324193.db2.gz FZTNTXFTTNFEQX-UHFFFAOYSA-N -1 3 324.365 3.136 20 30 DGEDHM COc1cc(CN[C@H](C)c2cc(C(=O)[O-])cs2)ccc1C#N ZINC001607164357 1193216573 /nfs/dbraw/zinc/21/65/73/1193216573.db2.gz VEEQQTVQMZDETP-SNVBAGLBSA-N -1 3 316.382 3.177 20 30 DGEDHM CSc1ccc([O-])c(C(=O)NCc2ccc(CC#N)cc2)c1 ZINC001469414417 1183407971 /nfs/dbraw/zinc/40/79/71/1183407971.db2.gz LAEKCSCNCJZIHM-UHFFFAOYSA-N -1 3 312.394 3.110 20 30 DGEDHM C#Cc1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c(Cl)c1 ZINC001472191267 1183623407 /nfs/dbraw/zinc/62/34/07/1183623407.db2.gz ACCLYLMXVVNRDJ-UHFFFAOYSA-N -1 3 313.740 3.482 20 30 DGEDHM C=CC[S@](=O)(=NC(=O)c1cc([O-])cs1)c1ccccc1 ZINC001472274847 1183629644 /nfs/dbraw/zinc/62/96/44/1183629644.db2.gz CRKOHMAQGDPOJC-HXUWFJFHSA-N -1 3 307.396 3.307 20 30 DGEDHM O=C(c1ccn(C(F)F)n1)N([O-])Cc1cccc2ccccc21 ZINC001472623192 1183658567 /nfs/dbraw/zinc/65/85/67/1183658567.db2.gz XMRGFMRSGHVAGD-UHFFFAOYSA-N -1 3 317.295 3.463 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@H]2CCc3cc(F)ccc32)C(=O)[O-])c1 ZINC001608215733 1193283928 /nfs/dbraw/zinc/28/39/28/1193283928.db2.gz OMJTVYVFJVTFBH-DLBZAZTESA-N -1 3 310.328 3.100 20 30 DGEDHM CC(C)(C#N)CCCOc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001609072562 1193323705 /nfs/dbraw/zinc/32/37/05/1193323705.db2.gz VYRNDXOOWHLIGJ-UHFFFAOYSA-N -1 3 305.769 3.229 20 30 DGEDHM CC(C)(C#N)CCCOc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001609072562 1193323707 /nfs/dbraw/zinc/32/37/07/1193323707.db2.gz VYRNDXOOWHLIGJ-UHFFFAOYSA-N -1 3 305.769 3.229 20 30 DGEDHM CC(Cc1ccccc1F)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609115689 1193325225 /nfs/dbraw/zinc/32/52/25/1193325225.db2.gz GTGSDNJMCOIVJH-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM CC(Cc1ccccc1F)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609115689 1193325227 /nfs/dbraw/zinc/32/52/27/1193325227.db2.gz GTGSDNJMCOIVJH-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM CC[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)CC(F)(F)F ZINC001609190814 1193329088 /nfs/dbraw/zinc/32/90/88/1193329088.db2.gz WUABKGIPMCRWDC-SECBINFHSA-N -1 3 324.310 3.129 20 30 DGEDHM CC[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)CC(F)(F)F ZINC001609190814 1193329089 /nfs/dbraw/zinc/32/90/89/1193329089.db2.gz WUABKGIPMCRWDC-SECBINFHSA-N -1 3 324.310 3.129 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC001609517984 1193343423 /nfs/dbraw/zinc/34/34/23/1193343423.db2.gz XYRRPHLANBAEOV-ZZXKWVIFSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC001609517984 1193343424 /nfs/dbraw/zinc/34/34/24/1193343424.db2.gz XYRRPHLANBAEOV-ZZXKWVIFSA-N -1 3 316.773 3.478 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cnc2ccccc2c1 ZINC001609499804 1193343758 /nfs/dbraw/zinc/34/37/58/1193343758.db2.gz KQONLCBHFRQWIS-UHFFFAOYSA-N -1 3 314.308 3.079 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cnc2ccccc2c1 ZINC001609499804 1193343760 /nfs/dbraw/zinc/34/37/60/1193343760.db2.gz KQONLCBHFRQWIS-UHFFFAOYSA-N -1 3 314.308 3.079 20 30 DGEDHM O=C(C=Cc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609517857 1193343931 /nfs/dbraw/zinc/34/39/31/1193343931.db2.gz RWXRFWXVSLYBBQ-VZUCSPMQSA-N -1 3 316.364 3.252 20 30 DGEDHM O=C(C=Cc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609517857 1193343933 /nfs/dbraw/zinc/34/39/33/1193343933.db2.gz RWXRFWXVSLYBBQ-VZUCSPMQSA-N -1 3 316.364 3.252 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC001609517736 1193343938 /nfs/dbraw/zinc/34/39/38/1193343938.db2.gz LFLUDYFDPXVXCV-FPLPWBNLSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC001609517736 1193343939 /nfs/dbraw/zinc/34/39/39/1193343939.db2.gz LFLUDYFDPXVXCV-FPLPWBNLSA-N -1 3 310.744 3.416 20 30 DGEDHM Cc1cccc2c1ncc(C)c2N1CCC(C#N)(C(=O)[O-])CC1 ZINC001610540399 1193396999 /nfs/dbraw/zinc/39/69/99/1193396999.db2.gz PXKPTCBXRGGLBD-UHFFFAOYSA-N -1 3 309.369 3.046 20 30 DGEDHM CCOc1nc(C(=O)N([O-])Cc2cccc3ccccc32)co1 ZINC001611662368 1193439098 /nfs/dbraw/zinc/43/90/98/1193439098.db2.gz FKEFRKWIAGLHNN-UHFFFAOYSA-N -1 3 312.325 3.258 20 30 DGEDHM CCCCN([O-])C(=O)[C@](C)(CCC)NC(=O)OC(C)(C)C ZINC001611657902 1193439445 /nfs/dbraw/zinc/43/94/45/1193439445.db2.gz MILFGPPGBVHCQH-HNNXBMFYSA-N -1 3 302.415 3.088 20 30 DGEDHM CCOC(=O)[C@@H](CC)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001611662555 1193439911 /nfs/dbraw/zinc/43/99/11/1193439911.db2.gz MHWLJRYRHKAWSO-HNNXBMFYSA-N -1 3 315.369 3.147 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cscc1Br ZINC001520037626 1186912582 /nfs/dbraw/zinc/91/25/82/1186912582.db2.gz ZGRMELOYIZKBRI-QMMMGPOBSA-N -1 3 324.203 3.217 20 30 DGEDHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c(F)c1 ZINC001522948238 1187115424 /nfs/dbraw/zinc/11/54/24/1187115424.db2.gz XDDUKLCNOZPCDS-UHFFFAOYSA-N -1 3 324.340 3.468 20 30 DGEDHM C#C[C@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC001561689099 1189456077 /nfs/dbraw/zinc/45/60/77/1189456077.db2.gz DFEDUDWRGNEIAS-AWEZNQCLSA-N -1 3 317.435 3.061 20 30 DGEDHM C=C(CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001564882322 1189602761 /nfs/dbraw/zinc/60/27/61/1189602761.db2.gz QLHITLCRXVWHGX-UHFFFAOYSA-N -1 3 300.333 3.044 20 30 DGEDHM C#CCN(Cc1nc(CC)cc(=O)[n-]1)[C@H]1CCCc2ccccc21 ZINC001620612849 1193784260 /nfs/dbraw/zinc/78/42/60/1193784260.db2.gz PJXHFHIQGVELBS-SFHVURJKSA-N -1 3 321.424 3.257 20 30 DGEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001622523983 1193904526 /nfs/dbraw/zinc/90/45/26/1193904526.db2.gz KLPWHWUYXJDVTN-UHFFFAOYSA-N -1 3 321.364 3.375 20 30 DGEDHM C#C[C@](C)(CC)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC001624414733 1193996348 /nfs/dbraw/zinc/99/63/48/1193996348.db2.gz HCALDTXLSZODEK-CQSZACIVSA-N -1 3 315.747 3.359 20 30 DGEDHM CCCCCC[C@@](C)(CCC)C(=O)N[C@H]1CCCN([O-])C1=O ZINC001636546214 1194619974 /nfs/dbraw/zinc/61/99/74/1194619974.db2.gz LUQHKOZWJVOGPP-WMLDXEAASA-N -1 3 312.454 3.260 20 30 DGEDHM CCN(CC)CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001639035418 1194747322 /nfs/dbraw/zinc/74/73/22/1194747322.db2.gz KAXWGLDERSBVKE-UHFFFAOYSA-N -1 3 305.205 3.053 20 30 DGEDHM CC(=O)Nc1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001639054390 1194748375 /nfs/dbraw/zinc/74/83/75/1194748375.db2.gz KFILTOLSSUNDAD-UHFFFAOYSA-N -1 3 318.760 3.330 20 30 DGEDHM CSc1cccnc1C(=O)N([O-])Cc1ccccc1Cl ZINC001639058277 1194748680 /nfs/dbraw/zinc/74/86/80/1194748680.db2.gz BTOLNZXYZYXGJI-UHFFFAOYSA-N -1 3 308.790 3.489 20 30 DGEDHM CCCCCCN([O-])C(=O)CCC(=O)c1ccc(OC)cc1 ZINC001639062153 1194749449 /nfs/dbraw/zinc/74/94/49/1194749449.db2.gz CKBWLKAWBPUGOR-UHFFFAOYSA-N -1 3 307.390 3.456 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001639067182 1194749600 /nfs/dbraw/zinc/74/96/00/1194749600.db2.gz NXGCZBITAWKKKO-CABCVRRESA-N -1 3 306.362 3.496 20 30 DGEDHM Cc1c(CC(=O)N([O-])Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC001639078653 1194750031 /nfs/dbraw/zinc/75/00/31/1194750031.db2.gz ODJOGITYKZOFLO-UHFFFAOYSA-N -1 3 318.304 3.003 20 30 DGEDHM COc1cnc(C(=O)N([O-])CCCCc2ccccc2)c(F)c1 ZINC001641865095 1194875755 /nfs/dbraw/zinc/87/57/55/1194875755.db2.gz RULNWCMYVQPDFX-UHFFFAOYSA-N -1 3 318.348 3.084 20 30 DGEDHM O=C(CCCc1ccc(O)c(F)c1)N([O-])Cc1ccc(F)cc1 ZINC001641878014 1194876525 /nfs/dbraw/zinc/87/65/25/1194876525.db2.gz PQFZSCMEDGSXGM-UHFFFAOYSA-N -1 3 321.323 3.411 20 30 DGEDHM CC(C)n1cnc([N-]C(=O)c2c(Cl)cc(C#N)cc2Cl)n1 ZINC001644354669 1195102623 /nfs/dbraw/zinc/10/26/23/1195102623.db2.gz ARYARIWPMZMGLZ-UHFFFAOYSA-N -1 3 324.171 3.290 20 30 DGEDHM C=CCC1([N-]S(=O)(=O)c2ccc(F)cc2F)CCCC1 ZINC001649399425 1195334340 /nfs/dbraw/zinc/33/43/40/1195334340.db2.gz QEARBSBGCADVAM-UHFFFAOYSA-N -1 3 301.358 3.132 20 30 DGEDHM C[C@]1(Br)C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001651226200 1195428991 /nfs/dbraw/zinc/42/89/91/1195428991.db2.gz OHDOFDWOENQIHR-SKDRFNHKSA-N -1 3 318.598 3.231 20 30 DGEDHM C[C@@]1(Br)C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001651226197 1195429114 /nfs/dbraw/zinc/42/91/14/1195429114.db2.gz OHDOFDWOENQIHR-BXKDBHETSA-N -1 3 318.598 3.231 20 30 DGEDHM C=CC[C@H](C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001651734725 1195503409 /nfs/dbraw/zinc/50/34/09/1195503409.db2.gz AVVLHUIFCXZNLJ-INIZCTEOSA-N -1 3 323.396 3.036 20 30 DGEDHM Cc1cc(F)c(C#N)c(N[C@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001652273479 1195573948 /nfs/dbraw/zinc/57/39/48/1195573948.db2.gz UAMFAMWWKKFAGU-SSDOTTSWSA-N -1 3 313.258 3.316 20 30 DGEDHM C=CCC[C@@H](NCc1c([O-])cc(C)cc1Cl)C(=O)OCC ZINC001652482810 1195605138 /nfs/dbraw/zinc/60/51/38/1195605138.db2.gz GLBBHQKAYINMNN-CQSZACIVSA-N -1 3 311.809 3.342 20 30 DGEDHM C=CCCSCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001655938289 1195980357 /nfs/dbraw/zinc/98/03/57/1195980357.db2.gz BGFMAYGJSFCABG-UHFFFAOYSA-N -1 3 323.842 3.067 20 30 DGEDHM CCCCCCCCC[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC001659345311 1196373282 /nfs/dbraw/zinc/37/32/82/1196373282.db2.gz GHCRIDACAUIFHA-UHFFFAOYSA-N -1 3 321.874 3.102 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001660257188 1196462277 /nfs/dbraw/zinc/46/22/77/1196462277.db2.gz TWBVFBCMPVIBBF-LLVKDONJSA-N -1 3 322.455 3.361 20 30 DGEDHM C=C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001573314551 947235114 /nfs/dbraw/zinc/23/51/14/947235114.db2.gz CWLUYJQKRGQNEP-HNNXBMFYSA-N -1 3 324.315 3.090 20 30 DGEDHM C=C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001573314551 947235122 /nfs/dbraw/zinc/23/51/22/947235122.db2.gz 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Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1F ZINC001254611613 1106113371 /nfs/dbraw/zinc/11/33/71/1106113371.db2.gz REPODHKDPXNELS-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM O=C(c1ncc2c(F)cccn21)N([O-])Cc1ccccc1Cl ZINC001306893991 1110252670 /nfs/dbraw/zinc/25/26/70/1110252670.db2.gz DMTYXTHCBNVYNE-UHFFFAOYSA-N -1 3 319.723 3.158 20 30 DGEDHM COc1cccc2[nH]c(C(=O)N([O-])Cc3ccc(F)cc3)cc21 ZINC001306898531 1111248972 /nfs/dbraw/zinc/24/89/72/1111248972.db2.gz HLYYMXAQXJCZIA-UHFFFAOYSA-N -1 3 314.316 3.347 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001309188531 1111514684 /nfs/dbraw/zinc/51/46/84/1111514684.db2.gz CCINDAMLJAOODQ-NSHDSACASA-N -1 3 308.428 3.053 20 30 DGEDHM C=CCCC[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001309467117 1111526711 /nfs/dbraw/zinc/52/67/11/1111526711.db2.gz NSMZIYZWROQBSI-UHFFFAOYSA-N -1 3 322.455 3.363 20 30 DGEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000339416855 529587912 /nfs/dbraw/zinc/58/79/12/529587912.db2.gz 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Cc1cc(CN[C@@H](CC(=O)[O-])c2cccs2)ccc1C#N ZINC000591351725 400513608 /nfs/dbraw/zinc/51/36/08/400513608.db2.gz GNCCLZKFABABCH-AWEZNQCLSA-N -1 3 300.383 3.234 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000126760905 400495595 /nfs/dbraw/zinc/49/55/95/400495595.db2.gz SDDLAGYUDGUUMH-UHFFFAOYSA-N -1 3 301.327 3.343 20 30 DGEDHM C=CCOc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132844058 400564007 /nfs/dbraw/zinc/56/40/07/400564007.db2.gz NPEKQBQJZYDHPA-UHFFFAOYSA-N -1 3 301.317 3.026 20 30 DGEDHM CCCSCC(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000052779251 400746875 /nfs/dbraw/zinc/74/68/75/400746875.db2.gz KCSSOKYUYWJNNV-UHFFFAOYSA-N -1 3 306.391 3.212 20 30 DGEDHM CCc1ncsc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000619122212 400776097 /nfs/dbraw/zinc/77/60/97/400776097.db2.gz SCBUMOKUAQTIQQ-UHFFFAOYSA-N -1 3 324.365 3.484 20 30 DGEDHM CC(C)(C)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c(O)c1 ZINC000593212960 400791132 /nfs/dbraw/zinc/79/11/32/400791132.db2.gz HCHCKUHPXLOBHU-UHFFFAOYSA-N -1 3 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304.256 3.174 20 30 DGEDHM O=C(Cc1ccc(F)cc1F)Nc1n[n-]c(-c2ccco2)n1 ZINC000087279569 431853087 /nfs/dbraw/zinc/85/30/87/431853087.db2.gz RTFNDGHZZPFGAU-UHFFFAOYSA-N -1 3 304.256 3.174 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1F ZINC000041481927 431859479 /nfs/dbraw/zinc/85/94/79/431859479.db2.gz ZJFAUHQGIJPIPS-ZDUSSCGKSA-N -1 3 320.327 3.205 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(C)cc1 ZINC000041481695 431859485 /nfs/dbraw/zinc/85/94/85/431859485.db2.gz VNPOTNXUEMXIBI-INIZCTEOSA-N -1 3 316.364 3.374 20 30 DGEDHM CCN(CC)C(=O)c1ccc(C/N=C/c2ccccc2[O-])cc1 ZINC000122554179 431837766 /nfs/dbraw/zinc/83/77/66/431837766.db2.gz QQKXPPZYUZFZAZ-XSFVSMFZSA-N -1 3 310.397 3.493 20 30 DGEDHM C=C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000125115767 431914646 /nfs/dbraw/zinc/91/46/46/431914646.db2.gz KGYNCKUBUPGOBU-CYBMUJFWSA-N -1 3 319.368 3.165 20 30 DGEDHM C=C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000125115767 431914648 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COc1cc(-c2noc([C@]3(C#N)CC34CCCC4)n2)ccc1[O-] ZINC000296066500 434497911 /nfs/dbraw/zinc/49/79/11/434497911.db2.gz XOOUGBHVPTULNW-QGZVFWFLSA-N -1 3 311.341 3.176 20 30 DGEDHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000450989374 434516499 /nfs/dbraw/zinc/51/64/99/434516499.db2.gz DSGYGFMBADLBJL-GUYCJALGSA-N -1 3 320.458 3.195 20 30 DGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@](C)(C#N)CC)c2)n1 ZINC000368495117 434573642 /nfs/dbraw/zinc/57/36/42/434573642.db2.gz IMLLRQOTTKWXHU-SFHVURJKSA-N -1 3 324.384 3.290 20 30 DGEDHM C=CCCn1cc(C(=O)Nc2cc(C(C)(C)C)ccc2[O-])nn1 ZINC000424741388 434793048 /nfs/dbraw/zinc/79/30/48/434793048.db2.gz SZWLSBBXQOBJTQ-UHFFFAOYSA-N -1 3 314.389 3.110 20 30 DGEDHM CC(C)CO[N-]C(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000492224401 434937913 /nfs/dbraw/zinc/93/79/13/434937913.db2.gz XZRBYFLGTZLQMH-HJWRWDBZSA-N -1 3 311.385 3.272 20 30 DGEDHM C=C[C@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000529199500 435033930 /nfs/dbraw/zinc/03/39/30/435033930.db2.gz 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302.349 3.225 20 30 DGEDHM Cc1cccc(C(C)(C)C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000745020145 575369669 /nfs/dbraw/zinc/36/96/69/575369669.db2.gz BVZCUJDCRYAZDT-JMIUGGIZSA-N -1 3 312.413 3.293 20 30 DGEDHM N#Cc1ccccc1COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748475497 575589317 /nfs/dbraw/zinc/58/93/17/575589317.db2.gz BJFPWKFPBOKIMP-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM COc1cc(C=NNc2ccc(F)cc2C)c([N+](=O)[O-])cc1[O-] ZINC000750946591 575763756 /nfs/dbraw/zinc/76/37/56/575763756.db2.gz WCXOKIDTWQZCBZ-UHFFFAOYSA-N -1 3 319.292 3.203 20 30 DGEDHM COC(=O)N1CCC[C@@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000726428866 576021321 /nfs/dbraw/zinc/02/13/21/576021321.db2.gz IQBNKAGYQIRHKA-HIPSJFSSSA-N -1 3 312.369 3.195 20 30 DGEDHM CC1(C)OCC[C@@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000852999326 620658424 /nfs/dbraw/zinc/65/84/24/620658424.db2.gz ZCVUJAAAVJBAOF-FNQVVVRFSA-N -1 3 312.207 3.389 20 30 DGEDHM Cc1ccccc1C(F)(F)C/N=C\c1c([O-])c(C)ncc1CO ZINC000852999136 620658868 /nfs/dbraw/zinc/65/88/68/620658868.db2.gz 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CCCn1cc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC000901371616 619490496 /nfs/dbraw/zinc/49/04/96/619490496.db2.gz WLMRDYBJDLZYRX-UHFFFAOYSA-N -1 3 309.369 3.478 20 30 DGEDHM Cn1ncc(C(=O)N([O-])Cc2cccc3ccccc32)c1C1CC1 ZINC000901370110 619490528 /nfs/dbraw/zinc/49/05/28/619490528.db2.gz REPNQQMLYBGTTA-UHFFFAOYSA-N -1 3 321.380 3.482 20 30 DGEDHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc(OC)c1C ZINC000901376228 619491771 /nfs/dbraw/zinc/49/17/71/619491771.db2.gz QOCFMBNZJOOMBS-UHFFFAOYSA-N -1 3 319.332 3.183 20 30 DGEDHM O=C(c1c(Cl)nc2ccccn21)N([O-])Cc1ccc(F)cc1 ZINC000901376443 619492267 /nfs/dbraw/zinc/49/22/67/619492267.db2.gz UYZGTMLZUKSHJK-UHFFFAOYSA-N -1 3 319.723 3.158 20 30 DGEDHM O=C(c1cc2cc(F)ccc2[nH]1)N([O-])Cc1ccc(F)cc1 ZINC000901376402 619492423 /nfs/dbraw/zinc/49/24/23/619492423.db2.gz RZOSOFCDCAPWST-UHFFFAOYSA-N -1 3 302.280 3.478 20 30 DGEDHM COc1cc(/C=C\C(=O)c2cn(C(C)C)nn2)cc(Cl)c1[O-] ZINC000901522770 619510632 /nfs/dbraw/zinc/51/06/32/619510632.db2.gz ARCJTNXXVUUXNK-PLNGDYQASA-N -1 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/nfs/dbraw/zinc/89/40/46/619894046.db2.gz FQCSMSILKGYRRQ-UHFFFAOYSA-N -1 3 323.780 3.197 20 30 DGEDHM CCOC1CC2(C[C@@H]2C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904192545 619895528 /nfs/dbraw/zinc/89/55/28/619895528.db2.gz PWJAGVZEQZHBDR-MFOWVQHXSA-N -1 3 309.793 3.263 20 30 DGEDHM C[C@H]1CCn2ncc(C(=O)N([O-])Cc3ccccc3Cl)c2C1 ZINC000904193461 619895598 /nfs/dbraw/zinc/89/55/98/619895598.db2.gz PJEVLXOZIQRIEZ-NSHDSACASA-N -1 3 319.792 3.150 20 30 DGEDHM C[C@@H](CC(=O)N([O-])CCCCc1ccccc1)n1ccnc1 ZINC000904195262 619895969 /nfs/dbraw/zinc/89/59/69/619895969.db2.gz APBKEUZJLJMNMQ-HNNXBMFYSA-N -1 3 301.390 3.075 20 30 DGEDHM COCc1nc(C(=O)N([O-])CCCCc2ccccc2)cs1 ZINC000904201700 619897780 /nfs/dbraw/zinc/89/77/80/619897780.db2.gz ZLOYVJUICRYOBX-UHFFFAOYSA-N -1 3 320.414 3.144 20 30 DGEDHM CCCCN([O-])C(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000904216004 619898707 /nfs/dbraw/zinc/89/87/07/619898707.db2.gz UORJVOWBTIJQRH-UHFFFAOYSA-N -1 3 310.341 3.117 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccc(-c2ccccn2)[nH]c1=O 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CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000923474508 621186669 /nfs/dbraw/zinc/18/66/69/621186669.db2.gz YCHJCCUKKZXHHR-MRXNPFEDSA-N -1 3 306.793 3.288 20 30 DGEDHM C[C@@](O)(C/N=C\c1cc(Br)ccc1[O-])c1ccco1 ZINC000741465564 621383647 /nfs/dbraw/zinc/38/36/47/621383647.db2.gz VRQHLIVSXIUXRM-MEFZMRIGSA-N -1 3 324.174 3.074 20 30 DGEDHM C#CCOc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1OCC ZINC000752888538 621414468 /nfs/dbraw/zinc/41/44/68/621414468.db2.gz ZSRNGIAXARCVQF-CLFYSBASSA-N -1 3 310.353 3.072 20 30 DGEDHM CO[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])C1(C)C ZINC000753139563 621427695 /nfs/dbraw/zinc/42/76/95/621427695.db2.gz VVRLLPFBIOINRX-CNFOOLDZSA-N -1 3 312.207 3.387 20 30 DGEDHM N#Cc1ccc(C2(C(=O)Nc3ncccc3[O-])CCCC2)cc1 ZINC000860735998 621437508 /nfs/dbraw/zinc/43/75/08/621437508.db2.gz UUGQASDYLJDABW-UHFFFAOYSA-N -1 3 307.353 3.109 20 30 DGEDHM N#CC(=C([O-])C=CC1CCCCC1)c1nnc2n1CCCCC2 ZINC000118143612 621499517 /nfs/dbraw/zinc/49/95/17/621499517.db2.gz WWANAUKKIJIGMG-AUECHBEKSA-N -1 3 312.417 3.317 20 30 DGEDHM [O-]c1ccc(C=NNc2ccc(Br)nc2)cc1F ZINC000755721259 621587898 /nfs/dbraw/zinc/58/78/98/621587898.db2.gz JPPRNVWVUNAMKK-UHFFFAOYSA-N -1 3 310.126 3.135 20 30 DGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)cc1C#N ZINC000756381506 621633526 /nfs/dbraw/zinc/63/35/26/621633526.db2.gz HKRRWHFDHIEYRP-SFHVURJKSA-N -1 3 324.380 3.099 20 30 DGEDHM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1ccc([O-])c(F)c1 ZINC000757582899 621726552 /nfs/dbraw/zinc/72/65/52/621726552.db2.gz HOKKFWBQTLAQRX-UHFFFAOYSA-N -1 3 312.304 3.016 20 30 DGEDHM O=c1[n-]c(N=NC[C@H]2CCOc3ccccc32)nc2ccccc21 ZINC000757589119 621726977 /nfs/dbraw/zinc/72/69/77/621726977.db2.gz JPHLSELRHPQLJI-GFCCVEGCSA-N -1 3 320.352 3.299 20 30 DGEDHM CC(C)(C/N=C/c1cc(Cl)ccc1[O-])C(=O)N1CCCC1 ZINC000864346698 621758757 /nfs/dbraw/zinc/75/87/57/621758757.db2.gz ZLEJGFJHBUWIOZ-VCHYOVAHSA-N -1 3 308.809 3.113 20 30 DGEDHM CCCOc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1F ZINC000864346407 621758991 /nfs/dbraw/zinc/75/89/91/621758991.db2.gz VQILTNJPQNIXDM-UHFFFAOYSA-N -1 3 318.348 3.266 20 30 DGEDHM C=C(C)C[C@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000864530369 621780113 /nfs/dbraw/zinc/78/01/13/621780113.db2.gz WVDHBBLSMISDCW-LBPRGKRZSA-N -1 3 308.428 3.381 20 30 DGEDHM C=C(C)C[C@@H](NCc1c(F)cccc1Br)C(=O)[O-] ZINC000864529914 621780357 /nfs/dbraw/zinc/78/03/57/621780357.db2.gz OFBWEBSKOOXKLI-GFCCVEGCSA-N -1 3 316.170 3.097 20 30 DGEDHM CN(CC#N)Cc1c([O-])ccc2cc(Br)ccc21 ZINC000120520770 621909735 /nfs/dbraw/zinc/90/97/35/621909735.db2.gz YNNBDEPATMCPMI-UHFFFAOYSA-N -1 3 305.175 3.263 20 30 DGEDHM O=c1nc(C=N[O-])ccn1Cc1ccc(C2CCCCC2)cc1 ZINC000760446664 621941591 /nfs/dbraw/zinc/94/15/91/621941591.db2.gz PYDOWBLNUIPAKE-UHFFFAOYSA-N -1 3 311.385 3.147 20 30 DGEDHM COc1ccc(C=NOC2CCCC2)c(Br)c1[O-] ZINC000761011825 621979516 /nfs/dbraw/zinc/97/95/16/621979516.db2.gz JDHBVTVEZKOTCE-UHFFFAOYSA-N -1 3 314.179 3.456 20 30 DGEDHM N#CCSc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000762312163 622068598 /nfs/dbraw/zinc/06/85/98/622068598.db2.gz FKVNOGUNJQAIEY-UHFFFAOYSA-N -1 3 302.330 3.399 20 30 DGEDHM Cc1cc(=O)[n-]c(CSCCCOc2ccc(C#N)cc2)n1 ZINC000763219202 622131084 /nfs/dbraw/zinc/13/10/84/622131084.db2.gz XWGXZPRIOJAWIY-UHFFFAOYSA-N -1 3 315.398 3.065 20 30 DGEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCN1C1CCCCC1 ZINC000764413804 622192419 /nfs/dbraw/zinc/19/24/19/622192419.db2.gz LSRZMSRCSQAUDJ-MXDDHBLUSA-N -1 3 320.820 3.398 20 30 DGEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000764583644 622205116 /nfs/dbraw/zinc/20/51/16/622205116.db2.gz NLDZBUUTYOBHPA-UHFFFAOYSA-N -1 3 319.719 3.449 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc3[nH]ccc3c2)nc(C)n1 ZINC000765913091 622293666 /nfs/dbraw/zinc/29/36/66/622293666.db2.gz RMJLHWQNUPIUAA-NBUZRDOWSA-N -1 3 316.364 3.464 20 30 DGEDHM C=C(C)CO[N-]C(=O)/C(C)=C\c1ccc(Br)o1 ZINC000869153200 622322916 /nfs/dbraw/zinc/32/29/16/622322916.db2.gz REVLYQLDXSJNOM-TWGQIWQCSA-N -1 3 300.152 3.069 20 30 DGEDHM C=C(C)CO[N-]C(=O)/C(C)=C/c1ccc(Br)o1 ZINC000869153199 622323071 /nfs/dbraw/zinc/32/30/71/622323071.db2.gz REVLYQLDXSJNOM-RMKNXTFCSA-N -1 3 300.152 3.069 20 30 DGEDHM Cc1oc2ccccc2c1CC/N=C\c1c([O-])c(C)ncc1CO ZINC000767340024 622390803 /nfs/dbraw/zinc/39/08/03/622390803.db2.gz YNCLYEDQHWURAF-JMIUGGIZSA-N -1 3 324.380 3.304 20 30 DGEDHM COc1ccc(NN=C(C)c2ccc(F)cc2[O-])c([N+](=O)[O-])c1 ZINC000767803889 622422785 /nfs/dbraw/zinc/42/27/85/622422785.db2.gz UDYLBPSIEJLDOU-UHFFFAOYSA-N -1 3 319.292 3.284 20 30 DGEDHM COc1ccc(N=NC(C)c2ccc(F)cc2[O-])c([N+](=O)[O-])c1 ZINC000767803889 622422786 /nfs/dbraw/zinc/42/27/86/622422786.db2.gz UDYLBPSIEJLDOU-UHFFFAOYSA-N -1 3 319.292 3.284 20 30 DGEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(CC)ccc1[O-] ZINC000769729627 622554557 /nfs/dbraw/zinc/55/45/57/622554557.db2.gz YOJRUAQVKTXQHL-UHFFFAOYSA-N -1 3 311.356 3.369 20 30 DGEDHM C#CCN(CC#CC)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000769913714 622576033 /nfs/dbraw/zinc/57/60/33/622576033.db2.gz KVDIEIYFVMQRRX-UHFFFAOYSA-N -1 3 319.360 3.283 20 30 DGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1c(F)cccc1F ZINC000790074617 625600804 /nfs/dbraw/zinc/60/08/04/625600804.db2.gz QZYXBAGODNTICB-VIFPVBQESA-N -1 3 303.264 3.460 20 30 DGEDHM COc1cc(C=NNC[C@H]2CCCC2(F)F)cc(Cl)c1[O-] ZINC000872410569 622907825 /nfs/dbraw/zinc/90/78/25/622907825.db2.gz NZNKRIGXDOBHRU-SNVBAGLBSA-N -1 3 318.751 3.413 20 30 DGEDHM N#CCCCOc1cccc(CNCc2ccccc2C(=O)[O-])c1 ZINC000874042629 623233320 /nfs/dbraw/zinc/23/33/20/623233320.db2.gz CKBIRPYLXXCJAS-UHFFFAOYSA-N -1 3 324.380 3.357 20 30 DGEDHM N#CCSCCCOC(=O)CCCc1ccc([O-])c(F)c1 ZINC000805534977 623234610 /nfs/dbraw/zinc/23/46/10/623234610.db2.gz JZCMSOYRZKCREP-UHFFFAOYSA-N -1 3 311.378 3.044 20 30 DGEDHM C=CC[C@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000778740565 623688264 /nfs/dbraw/zinc/68/82/64/623688264.db2.gz YWQAADODYQOQCU-INIZCTEOSA-N -1 3 312.369 3.202 20 30 DGEDHM Cc1ccc2oc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cc2c1 ZINC000126334525 623790979 /nfs/dbraw/zinc/79/09/79/623790979.db2.gz DHRZILHQUVBABD-CYBMUJFWSA-N -1 3 319.320 3.097 20 30 DGEDHM C=C(Cl)C[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OCC ZINC000877671115 623986001 /nfs/dbraw/zinc/98/60/01/623986001.db2.gz FTLSFDNYYPNVPC-GFCCVEGCSA-N -1 3 318.200 3.210 20 30 DGEDHM Cc1nc2cc(N=Cc3ccc(O)c([O-])c3O)ccc2s1 ZINC000781098413 624022687 /nfs/dbraw/zinc/02/26/87/624022687.db2.gz AKWDAKWKTZNJFN-UHFFFAOYSA-N -1 3 300.339 3.472 20 30 DGEDHM COc1cc(C)c(/C=C\C(=O)c2ccc([O-])c(OC)c2)c(C)n1 ZINC000781547593 624089743 /nfs/dbraw/zinc/08/97/43/624089743.db2.gz OASNVKMSXYUDEB-VURMDHGXSA-N -1 3 313.353 3.317 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2c(Br)cnn2C)ccc1[O-] ZINC000782326196 624239441 /nfs/dbraw/zinc/23/94/41/624239441.db2.gz NTBDEKRVGHRPHY-GQCTYLIASA-N -1 3 321.174 3.093 20 30 DGEDHM C=CCCN(OCc1ccccc1)C(=O)c1c([O-])cccc1O ZINC000783987180 624416994 /nfs/dbraw/zinc/41/69/94/624416994.db2.gz XFSSWPISPIQPLC-UHFFFAOYSA-N -1 3 313.353 3.248 20 30 DGEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@](C)(C#N)C1CCCCC1 ZINC000784349863 624508843 /nfs/dbraw/zinc/50/88/43/624508843.db2.gz XWUFTIZDMXQSEP-MRXNPFEDSA-N -1 3 321.371 3.461 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784754760 624579974 /nfs/dbraw/zinc/57/99/74/624579974.db2.gz FEUNWTLMBMVZNJ-NSHDSACASA-N -1 3 302.330 3.088 20 30 DGEDHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C(F)(F)C(F)F ZINC000785665197 624708754 /nfs/dbraw/zinc/70/87/54/624708754.db2.gz SHNUOHNKJQTRJH-UHFFFAOYSA-N -1 3 321.148 3.130 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2cccc3c2OC(C)(C)C3)c1[O-] ZINC000788674411 625240081 /nfs/dbraw/zinc/24/00/81/625240081.db2.gz JJNPWXKIKINHPZ-UHFFFAOYSA-N -1 3 312.369 3.052 20 30 DGEDHM COc1cc(C=CC(=O)c2cc[nH]c(=O)c2)cc(Cl)c1[O-] ZINC000791433083 625801464 /nfs/dbraw/zinc/80/14/64/625801464.db2.gz PKUSPJSECWZZQQ-NSCUHMNNSA-N -1 3 305.717 3.051 20 30 DGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2occ3c2CCC3)cc1 ZINC000796801039 626084609 /nfs/dbraw/zinc/08/46/09/626084609.db2.gz VMYJRCCQFCPUDH-MRXNPFEDSA-N -1 3 322.364 3.292 20 30 DGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000798467455 626219631 /nfs/dbraw/zinc/21/96/31/626219631.db2.gz BCUXAZMVKVQZSZ-MRVPVSSYSA-N -1 3 309.218 3.021 20 30 DGEDHM O=C([N-]CC(F)(F)F)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801654332 626413235 /nfs/dbraw/zinc/41/32/35/626413235.db2.gz PJNMTEIBEZKIAN-MRVPVSSYSA-N -1 3 303.177 3.395 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCN(c2ncccc2F)C1 ZINC000132465425 626720447 /nfs/dbraw/zinc/72/04/47/626720447.db2.gz RYRQWUUKUKQWPA-PCQWDSEFSA-N -1 3 319.767 3.278 20 30 DGEDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cc(C#N)cs1 ZINC000800152241 626814636 /nfs/dbraw/zinc/81/46/36/626814636.db2.gz XZWHDVKHNPUDSC-UHFFFAOYSA-N -1 3 305.290 3.228 20 30 DGEDHM COc1cccc2c(C(=O)OCCCCC(C)(C)C#N)n[n-]c21 ZINC000808673210 626847967 /nfs/dbraw/zinc/84/79/67/626847967.db2.gz KRVGHUOFRUXPHU-UHFFFAOYSA-N -1 3 315.373 3.448 20 30 DGEDHM COc1cccc2c(C(=O)OCCCCC(C)(C)C#N)[n-]nc21 ZINC000808673210 626847968 /nfs/dbraw/zinc/84/79/68/626847968.db2.gz KRVGHUOFRUXPHU-UHFFFAOYSA-N -1 3 315.373 3.448 20 30 DGEDHM CC(=O)N1C[C@@H]2CCC[C@H](/N=C\c3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC000809144212 626886168 /nfs/dbraw/zinc/88/61/68/626886168.db2.gz HJTJOAMNOUZWJO-BIZICMJVSA-N -1 3 320.820 3.112 20 30 DGEDHM C#CCOc1ccc(NC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000810370394 627003548 /nfs/dbraw/zinc/00/35/48/627003548.db2.gz WDNCPMULTQYMQR-UHFFFAOYSA-N -1 3 301.729 3.310 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2c3ccccc3CC[C@H]2F)c1[O-] ZINC000887270234 627239592 /nfs/dbraw/zinc/23/95/92/627239592.db2.gz JQNAQKZIKHZIIJ-IOOXMPEJSA-N -1 3 314.360 3.032 20 30 DGEDHM N#CC(=C([O-])C=CC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813217417 627468910 /nfs/dbraw/zinc/46/89/10/627468910.db2.gz FTAFAIKCQRYWPJ-ZIYVKSGCSA-N -1 3 324.302 3.259 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H]2C[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000814183713 627548099 /nfs/dbraw/zinc/54/80/99/627548099.db2.gz MWWAQKXKDDMNFY-WCCGLUEHSA-N -1 3 314.360 3.092 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CCCSc2ccccc2)c1[O-] ZINC000005110887 627558399 /nfs/dbraw/zinc/55/83/99/627558399.db2.gz LIKQCIRJDCYZFA-WOJGMQOQSA-N -1 3 316.426 3.189 20 30 DGEDHM CC(C)C1N=NC(=S)N1N=Cc1ccc2ccccc2c1[O-] ZINC000814737826 627588183 /nfs/dbraw/zinc/58/81/83/627588183.db2.gz LXWKKWWANZGXHT-UHFFFAOYSA-N -1 3 312.398 3.431 20 30 DGEDHM CCCC1N=NC(=S)N1N=Cc1ccc2ccccc2c1[O-] ZINC000814932774 627610030 /nfs/dbraw/zinc/61/00/30/627610030.db2.gz RRCZMTWWTGVISK-UHFFFAOYSA-N -1 3 312.398 3.260 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cccc(OCC(F)(F)F)c1 ZINC000815023594 627617566 /nfs/dbraw/zinc/61/75/66/627617566.db2.gz CKZSTKCLEFDEDS-UHFFFAOYSA-N -1 3 323.261 3.455 20 30 DGEDHM N#Cc1ccc(F)c(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816553645 627806688 /nfs/dbraw/zinc/80/66/88/627806688.db2.gz CFUXXIOUTQEBQK-UHFFFAOYSA-N -1 3 308.715 3.485 20 30 DGEDHM C[C@H](NCc1nc2c(s1)CCCC2)c1cccc(C#N)c1[O-] ZINC000926919591 627981420 /nfs/dbraw/zinc/98/14/20/627981420.db2.gz PFVMCTOJHIDVBE-NSHDSACASA-N -1 3 313.426 3.450 20 30 DGEDHM CC[C@H](NCc1cc(C2CC2)n(C)n1)c1cccc(C#N)c1[O-] ZINC000927110185 628017000 /nfs/dbraw/zinc/01/70/00/628017000.db2.gz SKBRRGBGFJQLIY-INIZCTEOSA-N -1 3 310.401 3.116 20 30 DGEDHM C=CCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000819734441 628183687 /nfs/dbraw/zinc/18/36/87/628183687.db2.gz NVUADISRUCLXCP-UHFFFAOYSA-N -1 3 317.418 3.102 20 30 DGEDHM C=CCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000819734441 628183690 /nfs/dbraw/zinc/18/36/90/628183690.db2.gz NVUADISRUCLXCP-UHFFFAOYSA-N -1 3 317.418 3.102 20 30 DGEDHM C=CCC(CC=C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734527 628184114 /nfs/dbraw/zinc/18/41/14/628184114.db2.gz PTXFJUMLRRBZRG-LBPRGKRZSA-N -1 3 312.373 3.239 20 30 DGEDHM C=CCC(CC=C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734527 628184117 /nfs/dbraw/zinc/18/41/17/628184117.db2.gz PTXFJUMLRRBZRG-LBPRGKRZSA-N -1 3 312.373 3.239 20 30 DGEDHM C[C@H](Nc1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455332 628260735 /nfs/dbraw/zinc/26/07/35/628260735.db2.gz HEOVXEVPDZNJSX-LBPRGKRZSA-N -1 3 304.357 3.106 20 30 DGEDHM C[C@H](Nc1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455332 628260738 /nfs/dbraw/zinc/26/07/38/628260738.db2.gz HEOVXEVPDZNJSX-LBPRGKRZSA-N -1 3 304.357 3.106 20 30 DGEDHM COc1ccc(C=C2CCCC(C)(C)C2=O)cc1-c1nnn[n-]1 ZINC000821787126 628397215 /nfs/dbraw/zinc/39/72/15/628397215.db2.gz OLTSVGDGGSKJEM-XFXZXTDPSA-N -1 3 312.373 3.038 20 30 DGEDHM COc1ccc(C=C2CCCC(C)(C)C2=O)cc1-c1nn[n-]n1 ZINC000821787126 628397216 /nfs/dbraw/zinc/39/72/16/628397216.db2.gz OLTSVGDGGSKJEM-XFXZXTDPSA-N -1 3 312.373 3.038 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)O2 ZINC000822213041 628429872 /nfs/dbraw/zinc/42/98/72/628429872.db2.gz RSGPBXAUFZFMLS-CXUHLZMHSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)O2 ZINC000822213041 628429873 /nfs/dbraw/zinc/42/98/73/628429873.db2.gz RSGPBXAUFZFMLS-CXUHLZMHSA-N -1 3 318.336 3.100 20 30 DGEDHM Fc1ccccc1C1CC(N=Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822792195 628495945 /nfs/dbraw/zinc/49/59/45/628495945.db2.gz QRBSPVXYDOIWPM-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM Fc1ccccc1C1CC(N=Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822792195 628495950 /nfs/dbraw/zinc/49/59/50/628495950.db2.gz QRBSPVXYDOIWPM-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM N#Cc1cc(F)ccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000822823616 628499337 /nfs/dbraw/zinc/49/93/37/628499337.db2.gz USHCJWFUHCVGIB-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cc(F)ccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000822823616 628499341 /nfs/dbraw/zinc/49/93/41/628499341.db2.gz USHCJWFUHCVGIB-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(NC(=O)CCCC2CCCC2)cc1-c1nnn[n-]1 ZINC000822829942 628499575 /nfs/dbraw/zinc/49/95/75/628499575.db2.gz QKSCSYPASJWUCL-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1ccc(NC(=O)CCCC2CCCC2)cc1-c1nn[n-]n1 ZINC000822829942 628499577 /nfs/dbraw/zinc/49/95/77/628499577.db2.gz QKSCSYPASJWUCL-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822825361 628499768 /nfs/dbraw/zinc/49/97/68/628499768.db2.gz CAFXTHLGLJWFSV-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(CNc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822825361 628499770 /nfs/dbraw/zinc/49/97/70/628499770.db2.gz CAFXTHLGLJWFSV-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc(F)ccc1F ZINC000822924121 628510340 /nfs/dbraw/zinc/51/03/40/628510340.db2.gz XZCBLOMXUVVPNZ-DUXPYHPUSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc(F)ccc1F ZINC000822924121 628510342 /nfs/dbraw/zinc/51/03/42/628510342.db2.gz XZCBLOMXUVVPNZ-DUXPYHPUSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C1C(=Cc2ccsc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504465 628570188 /nfs/dbraw/zinc/57/01/88/628570188.db2.gz QLPZVAZVVVKKTJ-KPKJPENVSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1C(=Cc2ccsc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504465 628570189 /nfs/dbraw/zinc/57/01/89/628570189.db2.gz QLPZVAZVVVKKTJ-KPKJPENVSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1C(=Cc2cccs2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504689 628570581 /nfs/dbraw/zinc/57/05/81/628570581.db2.gz SVNMBLQRKLVXKK-PKNBQFBNSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1C(=Cc2cccs2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504689 628570582 /nfs/dbraw/zinc/57/05/82/628570582.db2.gz SVNMBLQRKLVXKK-PKNBQFBNSA-N -1 3 308.366 3.141 20 30 DGEDHM CC(=NNc1cccc(C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962162 628614138 /nfs/dbraw/zinc/61/41/38/628614138.db2.gz GQECQECPPDRUNO-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1cccc(C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962162 628614140 /nfs/dbraw/zinc/61/41/40/628614140.db2.gz GQECQECPPDRUNO-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM C#CCn1ccc(CN(CC)Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825725879 628791309 /nfs/dbraw/zinc/79/13/09/628791309.db2.gz CENFVUDBYIIUJP-UHFFFAOYSA-N -1 3 317.820 3.206 20 30 DGEDHM Clc1cc(N=NC[C@@H]2CC=CCC2)ccc1-c1nnn[n-]1 ZINC000826351341 628845742 /nfs/dbraw/zinc/84/57/42/628845742.db2.gz IWFCNPHMNAEMKX-SNVBAGLBSA-N -1 3 302.769 3.274 20 30 DGEDHM Clc1cc(N=NC[C@@H]2CC=CCC2)ccc1-c1nn[n-]n1 ZINC000826351341 628845745 /nfs/dbraw/zinc/84/57/45/628845745.db2.gz IWFCNPHMNAEMKX-SNVBAGLBSA-N -1 3 302.769 3.274 20 30 DGEDHM N#Cc1cccc(CSc2ccccc2-c2nnn[n-]2)c1F ZINC000826386693 628849993 /nfs/dbraw/zinc/84/99/93/628849993.db2.gz OTTRXMGQYIOJGN-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(CSc2ccccc2-c2nn[n-]n2)c1F ZINC000826386693 628849999 /nfs/dbraw/zinc/84/99/99/628849999.db2.gz OTTRXMGQYIOJGN-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#CCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826381391 628850255 /nfs/dbraw/zinc/85/02/55/628850255.db2.gz JWGGYXOEKXJFFA-UHFFFAOYSA-N -1 3 313.308 3.281 20 30 DGEDHM N#CCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826381391 628850258 /nfs/dbraw/zinc/85/02/58/628850258.db2.gz JWGGYXOEKXJFFA-UHFFFAOYSA-N -1 3 313.308 3.281 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475972 628852909 /nfs/dbraw/zinc/85/29/09/628852909.db2.gz XPFNVCZAPJPREK-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475972 628852913 /nfs/dbraw/zinc/85/29/13/628852913.db2.gz XPFNVCZAPJPREK-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM C#CC(C)(C)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000827634496 628978498 /nfs/dbraw/zinc/97/84/98/628978498.db2.gz QNGSRJRCSONRNM-UHFFFAOYSA-N -1 3 316.145 3.069 20 30 DGEDHM N#CC(C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1ccc2ccccc2n1 ZINC000833062441 629553914 /nfs/dbraw/zinc/55/39/14/629553914.db2.gz BRRMDVKROYLEBV-ILXRZTDVSA-N -1 3 322.364 3.302 20 30 DGEDHM C=C(C)COCCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833369390 629593210 /nfs/dbraw/zinc/59/32/10/629593210.db2.gz UNRZLVILHURTFL-ZDUSSCGKSA-N -1 3 318.200 3.301 20 30 DGEDHM C=CCCOCCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833374786 629594773 /nfs/dbraw/zinc/59/47/73/629594773.db2.gz DVRTYDKWOOASAF-CYBMUJFWSA-N -1 3 318.200 3.301 20 30 DGEDHM CCC(C)(C)c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000867176400 630119863 /nfs/dbraw/zinc/11/98/63/630119863.db2.gz YXEACRKRIYVUQP-UHFFFAOYSA-N -1 3 314.389 3.132 20 30 DGEDHM CSc1cc(C)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000840710975 630350635 /nfs/dbraw/zinc/35/06/35/630350635.db2.gz NYZGORIYXBEZHX-UHFFFAOYSA-N -1 3 302.399 3.369 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCOc1cccc(Cl)c1Cl ZINC000846539280 631256976 /nfs/dbraw/zinc/25/69/76/631256976.db2.gz ZNOGSFAJHPJRHX-UHFFFAOYSA-N -1 3 304.173 3.386 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000846544326 631258237 /nfs/dbraw/zinc/25/82/37/631258237.db2.gz WJNZCVIFURYECR-ZDUSSCGKSA-N -1 3 301.386 3.151 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCOc1cccc(Cl)c1Cl ZINC000846550558 631258657 /nfs/dbraw/zinc/25/86/57/631258657.db2.gz OWSFNNLAAOCVGZ-VIFPVBQESA-N -1 3 304.173 3.385 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ccccc1Br ZINC000846547315 631259250 /nfs/dbraw/zinc/25/92/50/631259250.db2.gz JWUZIURSAUORPB-NSHDSACASA-N -1 3 312.207 3.394 20 30 DGEDHM CC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1F ZINC000846756820 631296714 /nfs/dbraw/zinc/29/67/14/631296714.db2.gz MKOAVBDUYZGUKD-PADWCVLASA-N -1 3 302.349 3.297 20 30 DGEDHM N#Cc1c(NCc2nc(C(F)(F)F)n[n-]2)cccc1C(F)F ZINC000848681577 631727064 /nfs/dbraw/zinc/72/70/64/631727064.db2.gz ITAMQSTVOUSWGX-UHFFFAOYSA-N -1 3 317.221 3.245 20 30 DGEDHM N#CC[C@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000793887359 661061724 /nfs/dbraw/zinc/06/17/24/661061724.db2.gz UUQFQKNAKGECPR-GFCCVEGCSA-N -1 3 300.280 3.074 20 30 DGEDHM [O-]c1ccc(F)c(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)c1F ZINC000794488759 661087224 /nfs/dbraw/zinc/08/72/24/661087224.db2.gz LOGOOGRXFYCLNP-UHFFFAOYSA-N -1 3 324.237 3.271 20 30 DGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc2c(c1)OCCO2 ZINC000794932488 661114404 /nfs/dbraw/zinc/11/44/04/661114404.db2.gz WLQGHNWZNFOLHG-RQOWECAXSA-N -1 3 318.275 3.338 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCc3ccc(F)cc32)c1[O-] ZINC000794833243 661108052 /nfs/dbraw/zinc/10/80/52/661108052.db2.gz MRCUGMXWHHDGET-INLLTYMYSA-N -1 3 314.360 3.224 20 30 DGEDHM Cc1ccc(-n2cnnn2)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000255144119 655612105 /nfs/dbraw/zinc/61/21/05/655612105.db2.gz PKLZGTXRDFNPKT-UHFFFAOYSA-N -1 3 313.748 3.080 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2ccc(N3CCCC3)c(F)c2)c1O ZINC000255198460 655643376 /nfs/dbraw/zinc/64/33/76/655643376.db2.gz CTJCBUJZCQFPQW-UHFFFAOYSA-N -1 3 316.332 3.293 20 30 DGEDHM CN(CCO)c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255290584 655687370 /nfs/dbraw/zinc/68/73/70/655687370.db2.gz SDNOEFWNERPTPK-UHFFFAOYSA-N -1 3 304.777 3.225 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc([O-])c(F)c2)c(OC)cc1O ZINC000255405382 655738051 /nfs/dbraw/zinc/73/80/51/655738051.db2.gz CMAWMFZHJIFFMD-HYXAFXHYSA-N -1 3 318.300 3.150 20 30 DGEDHM O=C(C1CCCC1)N1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000255672532 655888864 /nfs/dbraw/zinc/88/88/64/655888864.db2.gz PARQEPKHOOYWJB-HNIBHBHRSA-N -1 3 320.820 3.256 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(Cl)nc(Cl)c2)c1 ZINC000811187968 661231081 /nfs/dbraw/zinc/23/10/81/661231081.db2.gz RGCRHTMKAXFEHH-UHFFFAOYSA-N -1 3 323.135 3.323 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Cl)c(F)c2)c1 ZINC000811187864 661231307 /nfs/dbraw/zinc/23/13/07/661231307.db2.gz NYFJUEFZTVSHJT-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM CCCCCCCCSc1nc(=O)[n-]c(C)c1C(=O)OC ZINC000125486091 656307489 /nfs/dbraw/zinc/30/74/89/656307489.db2.gz CZNXEAUBDSFQSF-UHFFFAOYSA-N -1 3 312.435 3.318 20 30 DGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1 ZINC000175107930 659916206 /nfs/dbraw/zinc/91/62/06/659916206.db2.gz HLNYEYSDMCUNHW-HNNXBMFYSA-N -1 3 310.353 3.420 20 30 DGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2c(C)cc(C#N)cc2C)n1 ZINC000930661847 661419684 /nfs/dbraw/zinc/41/96/84/661419684.db2.gz OFKRYKUNAMDZEG-UHFFFAOYSA-N -1 3 310.401 3.004 20 30 DGEDHM COc1cc(C(=O)/C=C/c2nccn2-c2ccccc2)ccc1[O-] ZINC000191229402 662057067 /nfs/dbraw/zinc/05/70/67/662057067.db2.gz UWGQEOUGDOYSQW-MDZDMXLPSA-N -1 3 320.348 3.483 20 30 DGEDHM CCCCOCC/N=C/c1cc(Br)ccc1[O-] ZINC000194853554 662174712 /nfs/dbraw/zinc/17/47/12/662174712.db2.gz MXZYOXBFBCPQSV-XNTDXEJSSA-N -1 3 300.196 3.390 20 30 DGEDHM CCCCCCCNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001577504815 1191905888 /nfs/dbraw/zinc/90/58/88/1191905888.db2.gz FILYOVWITJXUBP-UHFFFAOYSA-N -1 3 321.812 3.220 20 30 DGEDHM CCCCCCCNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001577504815 1191905891 /nfs/dbraw/zinc/90/58/91/1191905891.db2.gz FILYOVWITJXUBP-UHFFFAOYSA-N -1 3 321.812 3.220 20 30 DGEDHM N#Cc1ccc(CSc2cccc(-c3nnn[n-]3)c2Cl)o1 ZINC001581872098 1192079892 /nfs/dbraw/zinc/07/98/92/1192079892.db2.gz JVJNSXVQVATMSF-UHFFFAOYSA-N -1 3 317.761 3.277 20 30 DGEDHM N#Cc1ccc(CSc2cccc(-c3nn[n-]n3)c2Cl)o1 ZINC001581872098 1192079894 /nfs/dbraw/zinc/07/98/94/1192079894.db2.gz JVJNSXVQVATMSF-UHFFFAOYSA-N -1 3 317.761 3.277 20 30 DGEDHM N#Cc1sccc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC001583617121 1192153329 /nfs/dbraw/zinc/15/33/29/1192153329.db2.gz UDOHFESLESIYEZ-UHFFFAOYSA-N -1 3 318.408 3.452 20 30 DGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccccc1 ZINC001584694712 1192213815 /nfs/dbraw/zinc/21/38/15/1192213815.db2.gz ZREZTSBNSUDEPM-HNNXBMFYSA-N -1 3 303.283 3.408 20 30 DGEDHM COc1cc([N-]C(=O)c2c(F)ccc(F)c2F)c(F)cc1C#N ZINC001587092183 1192367363 /nfs/dbraw/zinc/36/73/63/1192367363.db2.gz JCCNWNWOJKLDPY-UHFFFAOYSA-N -1 3 324.233 3.376 20 30 DGEDHM C#CC[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001588333951 1192445004 /nfs/dbraw/zinc/44/50/04/1192445004.db2.gz JKZVBJDDVXJEOT-HNNXBMFYSA-N -1 3 321.359 3.052 20 30 DGEDHM C#C[C@H]1CC[C@H](Nc2nc(C(C)(C)C)ccc2-c2nnn[n-]2)CC1 ZINC001588365241 1192445383 /nfs/dbraw/zinc/44/53/83/1192445383.db2.gz QQRYRZXLWADZDN-JOCQHMNTSA-N -1 3 324.432 3.163 20 30 DGEDHM C#C[C@H]1CC[C@H](Nc2nc(C(C)(C)C)ccc2-c2nn[n-]n2)CC1 ZINC001588365241 1192445387 /nfs/dbraw/zinc/44/53/87/1192445387.db2.gz QQRYRZXLWADZDN-JOCQHMNTSA-N -1 3 324.432 3.163 20 30 DGEDHM C=C(C)C(C)(C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588402465 1192445821 /nfs/dbraw/zinc/44/58/21/1192445821.db2.gz GVZYWPMWISEONZ-LLVKDONJSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C(C)(C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588402465 1192445827 /nfs/dbraw/zinc/44/58/27/1192445827.db2.gz GVZYWPMWISEONZ-LLVKDONJSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC(C)(C)C(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001588539657 1192449868 /nfs/dbraw/zinc/44/98/68/1192449868.db2.gz SYVDJVCOZMSNKA-UHFFFAOYSA-N -1 3 314.389 3.300 20 30 DGEDHM C=CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588539156 1192449905 /nfs/dbraw/zinc/44/99/05/1192449905.db2.gz ANMRWNXWXYMLLA-KTKRTIGZSA-N -1 3 312.373 3.025 20 30 DGEDHM C=CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588539156 1192449909 /nfs/dbraw/zinc/44/99/09/1192449909.db2.gz ANMRWNXWXYMLLA-KTKRTIGZSA-N -1 3 312.373 3.025 20 30 DGEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001588635138 1192451327 /nfs/dbraw/zinc/45/13/27/1192451327.db2.gz DULFJJMHVAQGKT-UHFFFAOYSA-N -1 3 309.348 3.198 20 30 DGEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001588635138 1192451330 /nfs/dbraw/zinc/45/13/30/1192451330.db2.gz DULFJJMHVAQGKT-UHFFFAOYSA-N -1 3 309.348 3.198 20 30 DGEDHM C=CCN(CC1CCCCC1)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588628390 1192451704 /nfs/dbraw/zinc/45/17/04/1192451704.db2.gz XANNEUMTIXMLLE-UHFFFAOYSA-N -1 3 312.421 3.143 20 30 DGEDHM C=CCN(CC1CCCCC1)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588628390 1192451707 /nfs/dbraw/zinc/45/17/07/1192451707.db2.gz XANNEUMTIXMLLE-UHFFFAOYSA-N -1 3 312.421 3.143 20 30 DGEDHM C=CCCCCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588596614 1192451826 /nfs/dbraw/zinc/45/18/26/1192451826.db2.gz WPVRKFUTTGPCCU-UHFFFAOYSA-N -1 3 322.315 3.048 20 30 DGEDHM C=CCCCCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588596614 1192451830 /nfs/dbraw/zinc/45/18/30/1192451830.db2.gz WPVRKFUTTGPCCU-UHFFFAOYSA-N -1 3 322.315 3.048 20 30 DGEDHM CC(=NNCC1CCCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588777069 1192454143 /nfs/dbraw/zinc/45/41/43/1192454143.db2.gz AOZXZKGYGQVPPH-UHFFFAOYSA-N -1 3 318.812 3.024 20 30 DGEDHM CC(=NNCC1CCCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588777069 1192454145 /nfs/dbraw/zinc/45/41/45/1192454145.db2.gz AOZXZKGYGQVPPH-UHFFFAOYSA-N -1 3 318.812 3.024 20 30 DGEDHM CC(C)(C)C1CCN(N=Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001589103467 1192459091 /nfs/dbraw/zinc/45/90/91/1192459091.db2.gz RYLNBOQLRZCZJP-UHFFFAOYSA-N -1 3 318.450 3.020 20 30 DGEDHM C[C@H]1CCCC[C@@H]1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590250558 1192498151 /nfs/dbraw/zinc/49/81/51/1192498151.db2.gz FPSNOECYPJXXMG-QWHCGFSZSA-N -1 3 310.405 3.367 20 30 DGEDHM C[C@H]1CCCC[C@@H]1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590250558 1192498152 /nfs/dbraw/zinc/49/81/52/1192498152.db2.gz FPSNOECYPJXXMG-QWHCGFSZSA-N -1 3 310.405 3.367 20 30 DGEDHM CCCCCCCCCOC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001590592141 1192528451 /nfs/dbraw/zinc/52/84/51/1192528451.db2.gz DRPKQBVIRSQTAD-UHFFFAOYSA-N -1 3 317.393 3.169 20 30 DGEDHM CCCCCCCCCOC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001590592141 1192528458 /nfs/dbraw/zinc/52/84/58/1192528458.db2.gz DRPKQBVIRSQTAD-UHFFFAOYSA-N -1 3 317.393 3.169 20 30 DGEDHM CCc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590889254 1192554827 /nfs/dbraw/zinc/55/48/27/1192554827.db2.gz PTMUKTRDJPJJLA-KHPPLWFESA-N -1 3 304.353 3.325 20 30 DGEDHM CCc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590889254 1192554829 /nfs/dbraw/zinc/55/48/29/1192554829.db2.gz PTMUKTRDJPJJLA-KHPPLWFESA-N -1 3 304.353 3.325 20 30 DGEDHM CCc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1C ZINC001590877756 1192552478 /nfs/dbraw/zinc/55/24/78/1192552478.db2.gz BYMUKINGBRVCHD-UHFFFAOYSA-N -1 3 319.368 3.188 20 30 DGEDHM CCc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1C ZINC001590877756 1192552481 /nfs/dbraw/zinc/55/24/81/1192552481.db2.gz BYMUKINGBRVCHD-UHFFFAOYSA-N -1 3 319.368 3.188 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(C#N)s2)ccc1-c1nnn[n-]1 ZINC001591959074 1192583515 /nfs/dbraw/zinc/58/35/15/1192583515.db2.gz KMXBMAMWBHFKDM-UTCJRWHESA-N -1 3 321.365 3.004 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(C#N)s2)ccc1-c1nn[n-]n1 ZINC001591959074 1192583518 /nfs/dbraw/zinc/58/35/18/1192583518.db2.gz KMXBMAMWBHFKDM-UTCJRWHESA-N -1 3 321.365 3.004 20 30 DGEDHM Cc1cc(F)c(-c2nnn[n-]2)c(NCC2(C#N)CCCCC2)c1 ZINC001591981204 1192586392 /nfs/dbraw/zinc/58/63/92/1192586392.db2.gz XHYVAGXQDAUEHK-UHFFFAOYSA-N -1 3 314.368 3.200 20 30 DGEDHM Cc1cc(F)c(-c2nn[n-]n2)c(NCC2(C#N)CCCCC2)c1 ZINC001591981204 1192586396 /nfs/dbraw/zinc/58/63/96/1192586396.db2.gz XHYVAGXQDAUEHK-UHFFFAOYSA-N -1 3 314.368 3.200 20 30 DGEDHM Cc1cc(SCc2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001592067797 1192592056 /nfs/dbraw/zinc/59/20/56/1192592056.db2.gz DYMCBZCAJIUOBX-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cc(SCc2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001592067797 1192592058 /nfs/dbraw/zinc/59/20/58/1192592058.db2.gz DYMCBZCAJIUOBX-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc([C@@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001592135496 1192595457 /nfs/dbraw/zinc/59/54/57/1192595457.db2.gz IPXGSDHTGYNGBT-SNVBAGLBSA-N -1 3 310.386 3.281 20 30 DGEDHM Cc1ccc([C@@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001592135496 1192595460 /nfs/dbraw/zinc/59/54/60/1192595460.db2.gz IPXGSDHTGYNGBT-SNVBAGLBSA-N -1 3 310.386 3.281 20 30 DGEDHM N#C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC001592669983 1192626074 /nfs/dbraw/zinc/62/60/74/1192626074.db2.gz VKFIQEURADTCNA-ZDUSSCGKSA-N -1 3 303.366 3.180 20 30 DGEDHM N#C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC001592669983 1192626078 /nfs/dbraw/zinc/62/60/78/1192626078.db2.gz VKFIQEURADTCNA-ZDUSSCGKSA-N -1 3 303.366 3.180 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001592699155 1192626132 /nfs/dbraw/zinc/62/61/32/1192626132.db2.gz QBWKGCPKNRMKMB-MBNYWOFBSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001592699155 1192626133 /nfs/dbraw/zinc/62/61/33/1192626133.db2.gz QBWKGCPKNRMKMB-MBNYWOFBSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1C1CC1 ZINC001592690245 1192626339 /nfs/dbraw/zinc/62/63/39/1192626339.db2.gz SKFZLABEFVKABU-UHFFFAOYSA-N -1 3 322.397 3.289 20 30 DGEDHM CCCCCCCC[C@@H](C)CC(=O)N[C@@H]1CCCN([O-])C1=O ZINC001641521727 1194858263 /nfs/dbraw/zinc/85/82/63/1194858263.db2.gz RTHNYIYTPREQNQ-HUUCEWRRSA-N -1 3 312.454 3.260 20 30 DGEDHM N#CC[C@@H]1CC[C@H](N[C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001601076042 1192916005 /nfs/dbraw/zinc/91/60/05/1192916005.db2.gz BZBXYXGHGNQUBO-PKFCDNJMSA-N -1 3 310.756 3.277 20 30 DGEDHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001601101173 1192918741 /nfs/dbraw/zinc/91/87/41/1192918741.db2.gz AYTLJWSLJXULAY-CYBMUJFWSA-N -1 3 306.774 3.189 20 30 DGEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccc(F)c([O-])c1 ZINC001336039073 1178985406 /nfs/dbraw/zinc/98/54/06/1178985406.db2.gz GTPGPDFRWLNANJ-UHFFFAOYSA-N -1 3 302.353 3.455 20 30 DGEDHM N#CC(=C([O-])c1ccc(Cl)cc1)c1nc(N)c2ccccc2n1 ZINC001344544760 1179449115 /nfs/dbraw/zinc/44/91/15/1179449115.db2.gz WHUGQJNOYJCOHB-CYBMUJFWSA-N -1 3 322.755 3.355 20 30 DGEDHM Cc1sc([N-]C(=O)c2c3c(ccc2F)OCO3)c(C#N)c1C ZINC001347710957 1179816575 /nfs/dbraw/zinc/81/65/75/1179816575.db2.gz WXQPMZJKRBKGQE-UHFFFAOYSA-N -1 3 318.329 3.357 20 30 DGEDHM Cc1cc(C#N)cc(C)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001349703110 1179936876 /nfs/dbraw/zinc/93/68/76/1179936876.db2.gz VPTLFTGHTVAHRQ-LBPRGKRZSA-N -1 3 312.760 3.052 20 30 DGEDHM C#CCCCCCCSCc1cncc(-c2nnn[n-]2)c1 ZINC001602711340 1192994871 /nfs/dbraw/zinc/99/48/71/1192994871.db2.gz QLJUYYHJGYHBLD-UHFFFAOYSA-N -1 3 301.419 3.079 20 30 DGEDHM C#CCCCCCCSCc1cncc(-c2nn[n-]n2)c1 ZINC001602711340 1192994872 /nfs/dbraw/zinc/99/48/72/1192994872.db2.gz QLJUYYHJGYHBLD-UHFFFAOYSA-N -1 3 301.419 3.079 20 30 DGEDHM C=C(C)c1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001602769749 1192996982 /nfs/dbraw/zinc/99/69/82/1192996982.db2.gz JJGASDKGLQBZNF-UHFFFAOYSA-N -1 3 319.368 3.081 20 30 DGEDHM C=C(C)c1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001602769749 1192996984 /nfs/dbraw/zinc/99/69/84/1192996984.db2.gz JJGASDKGLQBZNF-UHFFFAOYSA-N -1 3 319.368 3.081 20 30 DGEDHM C=C[C@@H](CC)CC(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001602802951 1192997841 /nfs/dbraw/zinc/99/78/41/1192997841.db2.gz DYZSYXGZZSNJHL-ZDUSSCGKSA-N -1 3 314.389 3.300 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602793591 1192998257 /nfs/dbraw/zinc/99/82/57/1192998257.db2.gz CJITUMPKHZDOGB-HNNXBMFYSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602793591 1192998258 /nfs/dbraw/zinc/99/82/58/1192998258.db2.gz CJITUMPKHZDOGB-HNNXBMFYSA-N -1 3 320.780 3.166 20 30 DGEDHM C=CCCCCNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001602837660 1192999439 /nfs/dbraw/zinc/99/94/39/1192999439.db2.gz CGTJHWAEBXYTBD-UHFFFAOYSA-N -1 3 322.210 3.397 20 30 DGEDHM C=CCCCCNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001602837660 1192999441 /nfs/dbraw/zinc/99/94/41/1192999441.db2.gz CGTJHWAEBXYTBD-UHFFFAOYSA-N -1 3 322.210 3.397 20 30 DGEDHM C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001603132146 1193008833 /nfs/dbraw/zinc/00/88/33/1193008833.db2.gz SOGVWNLJSMJMQG-CQSZACIVSA-N -1 3 324.380 3.308 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001603826327 1193033571 /nfs/dbraw/zinc/03/35/71/1193033571.db2.gz JQCJKDFOZUOSQI-AHEVQNHNSA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001603826327 1193033574 /nfs/dbraw/zinc/03/35/74/1193033574.db2.gz JQCJKDFOZUOSQI-AHEVQNHNSA-N -1 3 320.327 3.389 20 30 DGEDHM CCCCCCCCNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001604176668 1193059187 /nfs/dbraw/zinc/05/91/87/1193059187.db2.gz WDXRSEYGRIPTID-UHFFFAOYSA-N -1 3 322.438 3.410 20 30 DGEDHM CCCCCCCCNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001604176668 1193059192 /nfs/dbraw/zinc/05/91/92/1193059192.db2.gz WDXRSEYGRIPTID-UHFFFAOYSA-N -1 3 322.438 3.410 20 30 DGEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H]4C[C@H]4C3)n2C)c1[O-] ZINC001355744569 1181091075 /nfs/dbraw/zinc/09/10/75/1181091075.db2.gz ITUHFLDHBIKDTJ-ZFWWWQNUSA-N -1 3 324.428 3.153 20 30 DGEDHM C#C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC001450854775 1182259736 /nfs/dbraw/zinc/25/97/36/1182259736.db2.gz YRCHMRTUOAQMHW-HNNXBMFYSA-N -1 3 317.747 3.218 20 30 DGEDHM Cc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c(C)n1C1CC1 ZINC001605652187 1193161395 /nfs/dbraw/zinc/16/13/95/1193161395.db2.gz FVTKMQXJYJWIKB-UHFFFAOYSA-N -1 3 321.388 3.066 20 30 DGEDHM C#Cc1ccc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001457019545 1182439803 /nfs/dbraw/zinc/43/98/03/1182439803.db2.gz TVODZIQGNLMEKE-UHFFFAOYSA-N -1 3 322.751 3.415 20 30 DGEDHM COc1ccc(CC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001457996187 1182488856 /nfs/dbraw/zinc/48/88/56/1182488856.db2.gz YRAXNJGDFCGENS-UHFFFAOYSA-N -1 3 313.397 3.478 20 30 DGEDHM N#Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1Cl ZINC001458024046 1182490012 /nfs/dbraw/zinc/49/00/12/1182490012.db2.gz FLFNONNRGLRFIG-UHFFFAOYSA-N -1 3 304.708 3.382 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nc(SC)ncc1Cl ZINC001458007040 1182490140 /nfs/dbraw/zinc/49/01/40/1182490140.db2.gz DOULBNUHJIVYJN-UHFFFAOYSA-N -1 3 303.815 3.264 20 30 DGEDHM Cc1cc(C)n2ccc(C(=O)N([O-])Cc3ccc(F)cc3)c2n1 ZINC001458027134 1182491478 /nfs/dbraw/zinc/49/14/78/1182491478.db2.gz MBEKYPDEWFOLEZ-UHFFFAOYSA-N -1 3 313.332 3.122 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)s1 ZINC001605834173 1193178630 /nfs/dbraw/zinc/17/86/30/1193178630.db2.gz KIQHKSLPMNYDLL-KPKJPENVSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)s1 ZINC001605834173 1193178631 /nfs/dbraw/zinc/17/86/31/1193178631.db2.gz KIQHKSLPMNYDLL-KPKJPENVSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1cccc(-c2nnn[n-]2)c1SCCc1ccc(C#N)cc1 ZINC001605899835 1193183068 /nfs/dbraw/zinc/18/30/68/1193183068.db2.gz KEBCTRUJWRVPBB-UHFFFAOYSA-N -1 3 321.409 3.382 20 30 DGEDHM Cc1cccc(-c2nn[n-]n2)c1SCCc1ccc(C#N)cc1 ZINC001605899835 1193183071 /nfs/dbraw/zinc/18/30/71/1193183071.db2.gz KEBCTRUJWRVPBB-UHFFFAOYSA-N -1 3 321.409 3.382 20 30 DGEDHM C=CC[C@H]1CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001462416934 1182949699 /nfs/dbraw/zinc/94/96/99/1182949699.db2.gz UEQKHWBIBLWCMX-NSHDSACASA-N -1 3 311.223 3.338 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001606482928 1193199733 /nfs/dbraw/zinc/19/97/33/1193199733.db2.gz SMTDQMZHHKJGHB-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001606482928 1193199736 /nfs/dbraw/zinc/19/97/36/1193199736.db2.gz SMTDQMZHHKJGHB-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM N#Cc1ccc(F)cc1Sc1cccc(F)c1-c1nnn[n-]1 ZINC001606368967 1193199796 /nfs/dbraw/zinc/19/97/96/1193199796.db2.gz MGVZKEGHANMYDN-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1ccccc1Oc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001606388787 1193200201 /nfs/dbraw/zinc/20/02/01/1193200201.db2.gz FXJDFEOHOFZIGI-UHFFFAOYSA-N -1 3 320.337 3.140 20 30 DGEDHM N#Cc1ccccc1Oc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001606388787 1193200205 /nfs/dbraw/zinc/20/02/05/1193200205.db2.gz FXJDFEOHOFZIGI-UHFFFAOYSA-N -1 3 320.337 3.140 20 30 DGEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1cc(F)ccc1F ZINC001464995716 1183124035 /nfs/dbraw/zinc/12/40/35/1183124035.db2.gz IIXYPIQPKGNFJI-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM CCCCCCCCC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001468753947 1183356101 /nfs/dbraw/zinc/35/61/01/1183356101.db2.gz XVMTZLFILOXLMA-UHFFFAOYSA-N -1 3 315.421 3.480 20 30 DGEDHM CCCCCCCCC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001468753947 1183356105 /nfs/dbraw/zinc/35/61/05/1183356105.db2.gz XVMTZLFILOXLMA-UHFFFAOYSA-N -1 3 315.421 3.480 20 30 DGEDHM CCCCN([O-])C(=O)c1nn(-c2c(F)cccc2F)cc1C ZINC001472620909 1183656791 /nfs/dbraw/zinc/65/67/91/1183656791.db2.gz YAKUTRUSFVRLET-UHFFFAOYSA-N -1 3 309.316 3.090 20 30 DGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC001475399343 1184002072 /nfs/dbraw/zinc/00/20/72/1184002072.db2.gz ZRHSHXXAQKCSEC-GFCCVEGCSA-N -1 3 306.412 3.049 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccsc1C(=O)[O-] ZINC001608214198 1193283573 /nfs/dbraw/zinc/28/35/73/1193283573.db2.gz GYYDXMYGWSMIMR-HNNXBMFYSA-N -1 3 312.394 3.485 20 30 DGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CC1(C)C ZINC001609061158 1193322342 /nfs/dbraw/zinc/32/23/42/1193322342.db2.gz IKVYUWRJSPOXMZ-NSHDSACASA-N -1 3 304.785 3.354 20 30 DGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CC1(C)C ZINC001609061158 1193322346 /nfs/dbraw/zinc/32/23/46/1193322346.db2.gz IKVYUWRJSPOXMZ-NSHDSACASA-N -1 3 304.785 3.354 20 30 DGEDHM C[C@@H](CCNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001609110989 1193324536 /nfs/dbraw/zinc/32/45/36/1193324536.db2.gz CIVYMFYSYGGZFD-ZDUSSCGKSA-N -1 3 318.384 3.344 20 30 DGEDHM C[C@@H](CCNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001609110989 1193324538 /nfs/dbraw/zinc/32/45/38/1193324538.db2.gz CIVYMFYSYGGZFD-ZDUSSCGKSA-N -1 3 318.384 3.344 20 30 DGEDHM C=C(C)[C@H](NC[C@@H]1CC(C(=O)[O-])=C(C)O1)c1ccc(F)c(F)c1 ZINC001609226440 1193332542 /nfs/dbraw/zinc/33/25/42/1193332542.db2.gz OXQGKQWDQDDRBO-LRDDRELGSA-N -1 3 323.339 3.319 20 30 DGEDHM CCc1ccccc1NN=C(C)c1ccccc1-c1nnn[n-]1 ZINC001609253466 1193332725 /nfs/dbraw/zinc/33/27/25/1193332725.db2.gz OXCPKTHKKHZAPW-UHFFFAOYSA-N -1 3 306.373 3.265 20 30 DGEDHM CCc1ccccc1NN=C(C)c1ccccc1-c1nn[n-]n1 ZINC001609253466 1193332728 /nfs/dbraw/zinc/33/27/28/1193332728.db2.gz OXCPKTHKKHZAPW-UHFFFAOYSA-N -1 3 306.373 3.265 20 30 DGEDHM Cc1cc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)oc1C ZINC001609393347 1193336096 /nfs/dbraw/zinc/33/60/96/1193336096.db2.gz PUSGWMVEAKDZIK-VOTSOKGWSA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)oc1C ZINC001609393347 1193336098 /nfs/dbraw/zinc/33/60/98/1193336098.db2.gz PUSGWMVEAKDZIK-VOTSOKGWSA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)oc1C ZINC001609393346 1193336494 /nfs/dbraw/zinc/33/64/94/1193336494.db2.gz PUSGWMVEAKDZIK-SREVYHEPSA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)oc1C ZINC001609393346 1193336497 /nfs/dbraw/zinc/33/64/97/1193336497.db2.gz PUSGWMVEAKDZIK-SREVYHEPSA-N -1 3 312.304 3.112 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccccc1Cl ZINC001609499815 1193343551 /nfs/dbraw/zinc/34/35/51/1193343551.db2.gz LBPPRKZAXBBOSV-UHFFFAOYSA-N -1 3 324.775 3.046 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccccc1Cl ZINC001609499815 1193343554 /nfs/dbraw/zinc/34/35/54/1193343554.db2.gz LBPPRKZAXBBOSV-UHFFFAOYSA-N -1 3 324.775 3.046 20 30 DGEDHM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001609517752 1193343956 /nfs/dbraw/zinc/34/39/56/1193343956.db2.gz LWNDPAPYQNIVPB-YVMONPNESA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001609517752 1193343958 /nfs/dbraw/zinc/34/39/58/1193343958.db2.gz LWNDPAPYQNIVPB-YVMONPNESA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1cccc(Cl)c1 ZINC001609586093 1193344260 /nfs/dbraw/zinc/34/42/60/1193344260.db2.gz RUZCQJJWTHINQV-AWNIVKPZSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1cccc(Cl)c1 ZINC001609586093 1193344262 /nfs/dbraw/zinc/34/42/62/1193344262.db2.gz RUZCQJJWTHINQV-AWNIVKPZSA-N -1 3 322.755 3.343 20 30 DGEDHM C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001609776599 1193355583 /nfs/dbraw/zinc/35/55/83/1193355583.db2.gz RNPZQKRUWAQZQG-KGLIPLIRSA-N -1 3 324.380 3.433 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001611657994 1193439059 /nfs/dbraw/zinc/43/90/59/1193439059.db2.gz QEHNLARCUZXEFH-INIZCTEOSA-N -1 3 308.397 3.198 20 30 DGEDHM N#Cc1cccc(OCC(=O)N([O-])CCCCc2ccccc2)c1 ZINC001611653469 1193439461 /nfs/dbraw/zinc/43/94/61/1193439461.db2.gz TYMBYXHGAXDMQE-UHFFFAOYSA-N -1 3 324.380 3.178 20 30 DGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(C)C ZINC001521049932 1186992934 /nfs/dbraw/zinc/99/29/34/1186992934.db2.gz FREKHVRRAXKZHE-LBPRGKRZSA-N -1 3 315.747 3.214 20 30 DGEDHM CSc1ccc([O-])c(C(=O)NCc2ccc(C#N)cc2F)c1 ZINC001616421504 1193538797 /nfs/dbraw/zinc/53/87/97/1193538797.db2.gz IJVQSRIJEPWPEA-UHFFFAOYSA-N -1 3 316.357 3.055 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2cnc(Cl)cc2C#N)c(F)c1 ZINC001538752431 1188160673 /nfs/dbraw/zinc/16/06/73/1188160673.db2.gz LOIHPZHMBWPTHZ-UHFFFAOYSA-N -1 3 318.670 3.009 20 30 DGEDHM C=CCO[N-]C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001556633021 1189010716 /nfs/dbraw/zinc/01/07/16/1189010716.db2.gz NCQFEGPMGKVBFI-UHFFFAOYSA-N -1 3 306.749 3.161 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001628314276 1194172244 /nfs/dbraw/zinc/17/22/44/1194172244.db2.gz MCDDADYCRYAFBJ-UHFFFAOYSA-N -1 3 303.402 3.348 20 30 DGEDHM C#CCOc1ccccc1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC001633751284 1194454386 /nfs/dbraw/zinc/45/43/86/1194454386.db2.gz PHVIKSSGLDVFAL-UHFFFAOYSA-N -1 3 323.392 3.458 20 30 DGEDHM C=CCOc1ccc(CNC(=O)c2ccc(CC)cc2[O-])cc1 ZINC001636194026 1194598963 /nfs/dbraw/zinc/59/89/63/1194598963.db2.gz OYWRIXDLIVGYMC-UHFFFAOYSA-N -1 3 311.381 3.449 20 30 DGEDHM O=C(Cc1c[nH]c2ncccc12)N([O-])Cc1ccccc1Cl ZINC001639054765 1194749047 /nfs/dbraw/zinc/74/90/47/1194749047.db2.gz ZUNUOZBUMWAGJR-UHFFFAOYSA-N -1 3 315.760 3.177 20 30 DGEDHM Cc1c(Cl)c(C(=O)N([O-])CCCCc2ccccc2)nn1C ZINC001639062262 1194749463 /nfs/dbraw/zinc/74/94/63/1194749463.db2.gz HQUWORVXLAXRMI-UHFFFAOYSA-N -1 3 321.808 3.236 20 30 DGEDHM CCCCN([O-])C(=O)c1cc(OC)c(Br)s1 ZINC001639071991 1194750038 /nfs/dbraw/zinc/75/00/38/1194750038.db2.gz OWGYTQSFZCEZNW-UHFFFAOYSA-N -1 3 308.197 3.151 20 30 DGEDHM O=C([C@@H]1Cc2cccnc2C1)N([O-])Cc1cccc2ccccc21 ZINC001639078987 1194750119 /nfs/dbraw/zinc/75/01/19/1194750119.db2.gz WUZOCFYZFCVXIP-QGZVFWFLSA-N -1 3 318.376 3.368 20 30 DGEDHM N#Cc1cc(Br)cnc1NCc1c([O-])cccc1F ZINC001640435187 1194812845 /nfs/dbraw/zinc/81/28/45/1194812845.db2.gz STRSWJKBHVLRTQ-UHFFFAOYSA-N -1 3 322.137 3.173 20 30 DGEDHM N#Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)ccc1Cl ZINC001641247053 1194845293 /nfs/dbraw/zinc/84/52/93/1194845293.db2.gz XKKGOHIJLPXFGR-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM N#Cc1cnccc1SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001641268893 1194846416 /nfs/dbraw/zinc/84/64/16/1194846416.db2.gz JJIWSBNRGINFBL-UHFFFAOYSA-N -1 3 320.377 3.408 20 30 DGEDHM CC(C)(C)N1CC[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001641865243 1194875854 /nfs/dbraw/zinc/87/58/54/1194875854.db2.gz YBNONXAAQHDBBF-MRXNPFEDSA-N -1 3 304.434 3.100 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001641871461 1194876771 /nfs/dbraw/zinc/87/67/71/1194876771.db2.gz STCSIPFSCTWOCQ-CQSZACIVSA-N -1 3 322.405 3.270 20 30 DGEDHM C[C@@H](CC(=O)[N-]Oc1cccc(C#N)c1)c1ccc(F)cc1F ZINC001643518024 1195030845 /nfs/dbraw/zinc/03/08/45/1195030845.db2.gz PNKAKEFNXFLNMY-NSHDSACASA-N -1 3 316.307 3.440 20 30 DGEDHM C#Cc1cccc(CNCc2cccc([O-])c2Br)c1 ZINC001651213403 1195426681 /nfs/dbraw/zinc/42/66/81/1195426681.db2.gz WKBLDQQDGIRJSW-UHFFFAOYSA-N -1 3 316.198 3.426 20 30 DGEDHM O=C(Cc1csc2nccn12)N([O-])Cc1ccccc1Cl ZINC001651223726 1195427631 /nfs/dbraw/zinc/42/76/31/1195427631.db2.gz RSGBGBJKKRNJOK-UHFFFAOYSA-N -1 3 321.789 3.010 20 30 DGEDHM C[C@H]1Cc2cccc(C(=O)N([O-])Cc3ccc(F)cc3)c2O1 ZINC001651237863 1195431061 /nfs/dbraw/zinc/43/10/61/1195431061.db2.gz CRUDMTOOQLWPJK-NSHDSACASA-N -1 3 301.317 3.181 20 30 DGEDHM O=C(c1ccccc1[N+](=O)[O-])N([O-])Cc1ccccc1Cl ZINC001654813735 1195843630 /nfs/dbraw/zinc/84/36/30/1195843630.db2.gz ALBFKYYXUUYKSK-UHFFFAOYSA-N -1 3 306.705 3.280 20 30 DGEDHM CCc1nc(C(=O)N([O-])CCCCc2ccccc2)c(C)o1 ZINC001654817577 1195844758 /nfs/dbraw/zinc/84/47/58/1195844758.db2.gz PDDBFCPTEYBKJL-UHFFFAOYSA-N -1 3 302.374 3.400 20 30 DGEDHM Cc1c([O-])ccc2c(CSc3ccncc3C#N)cc(=O)oc12 ZINC001656718240 1196065296 /nfs/dbraw/zinc/06/52/96/1196065296.db2.gz UMLZHRWLZBCRPV-UHFFFAOYSA-N -1 3 324.361 3.366 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001660257189 1196462724 /nfs/dbraw/zinc/46/27/24/1196462724.db2.gz TWBVFBCMPVIBBF-NSHDSACASA-N -1 3 322.455 3.361 20 30 DGEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001662079786 1196679367 /nfs/dbraw/zinc/67/93/67/1196679367.db2.gz BXJPEVTXGALLAH-ZDUSSCGKSA-N -1 3 320.241 3.382 20 30 DGEDHM C=C(Cl)CN1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001664656588 1197027447 /nfs/dbraw/zinc/02/74/47/1197027447.db2.gz ONQXFEWZVAMRPJ-AWEZNQCLSA-N -1 3 322.836 3.071 20 30 DGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001668885980 1197433456 /nfs/dbraw/zinc/43/34/56/1197433456.db2.gz UIJSZTUMVQDFAJ-CYBMUJFWSA-N -1 3 322.455 3.443 20 30 DGEDHM C#CC[C@@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccccc1 ZINC001588421679 983442184 /nfs/dbraw/zinc/44/21/84/983442184.db2.gz CAFYCRLRGFUEKL-GOSISDBHSA-N -1 3 322.408 3.377 20 30 DGEDHM C#CCN(Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)CC1CC1 ZINC001588469690 983502743 /nfs/dbraw/zinc/50/27/43/983502743.db2.gz NLWQTFRTTBSAIU-UHFFFAOYSA-N -1 3 309.365 3.490 20 30 DGEDHM C[C@H]1c2ccccc2C[C@H]1NCc1cccc(C(=O)[O-])c1C#N ZINC001599937852 985418015 /nfs/dbraw/zinc/41/80/15/985418015.db2.gz LULDTWDYTCRGQE-KPZWWZAWSA-N -1 3 306.365 3.074 20 30 DGEDHM COc1cc(C(=O)/C=C\c2nccn2-c2ccccc2)ccc1[O-] ZINC000588579812 1082735298 /nfs/dbraw/zinc/73/52/98/1082735298.db2.gz UWGQEOUGDOYSQW-KTKRTIGZSA-N -1 3 320.348 3.483 20 30 DGEDHM N#Cc1cc(NC(=O)C2CC(OCc3ccccc3)C2)ccc1[O-] ZINC001180937459 1083371545 /nfs/dbraw/zinc/37/15/45/1083371545.db2.gz ZXFPYFSPDLMDKF-UHFFFAOYSA-N -1 3 322.364 3.198 20 30 DGEDHM CC(=O)c1cccc([O-])c1NC(=O)C1(c2ccccc2C#N)CC1 ZINC001183294534 1083918888 /nfs/dbraw/zinc/91/88/88/1083918888.db2.gz AWIRDJKESFCKMX-UHFFFAOYSA-N -1 3 320.348 3.137 20 30 DGEDHM O=C([C@H]1COc2ccccc2C1)N([O-])Cc1ccccc1Cl ZINC001184283944 1084151530 /nfs/dbraw/zinc/15/15/30/1084151530.db2.gz VGIGKXFIKBKBHF-CQSZACIVSA-N -1 3 317.772 3.309 20 30 DGEDHM O=C(CC1(O)CCCCC1)N([O-])CCCCc1ccccc1 ZINC001184293330 1084155655 /nfs/dbraw/zinc/15/56/55/1084155655.db2.gz OJJXCEBIWMOFRQ-UHFFFAOYSA-N -1 3 305.418 3.312 20 30 DGEDHM Cc1coc([N-]C(=O)c2cc(F)ncc2C(F)(F)F)c1C#N ZINC001185707767 1084518809 /nfs/dbraw/zinc/51/88/09/1084518809.db2.gz DBWRYAWBSACYML-UHFFFAOYSA-N -1 3 313.210 3.265 20 30 DGEDHM CN1CCc2c(C#N)c(Nc3ccc([O-])c(F)c3F)sc2C1 ZINC001212000182 1087130571 /nfs/dbraw/zinc/13/05/71/1087130571.db2.gz RGYJIVKDZLSMKE-UHFFFAOYSA-N -1 3 321.352 3.335 20 30 DGEDHM N#Cc1cc(NC(=O)c2c[nH]c3nccc(Cl)c23)ccc1[O-] ZINC001153103434 1088167391 /nfs/dbraw/zinc/16/73/91/1088167391.db2.gz 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ZINC001209811597 1092935328 /nfs/dbraw/zinc/93/53/28/1092935328.db2.gz TXKBTDVBIBOGPX-UHFFFAOYSA-N -1 3 315.304 3.027 20 30 DGEDHM COc1ccc(-c2nnsc2[N-]c2cccnc2C#N)cc1 ZINC001210142193 1093057642 /nfs/dbraw/zinc/05/76/42/1093057642.db2.gz SNLUKPONDHIPAW-UHFFFAOYSA-N -1 3 309.354 3.224 20 30 DGEDHM N#Cc1ccc([O-])c(Nc2ccc(OC(F)(F)F)c(CO)c2)c1 ZINC001214833507 1093860662 /nfs/dbraw/zinc/86/06/62/1093860662.db2.gz VPMUEJJJWXKNJW-UHFFFAOYSA-N -1 3 324.258 3.398 20 30 DGEDHM CCc1cc(Nc2cccc(C(=O)N(C)C)c2[O-])ccc1C#N ZINC001216316775 1094173068 /nfs/dbraw/zinc/17/30/68/1094173068.db2.gz PTLXAPAJHOAURB-UHFFFAOYSA-N -1 3 309.369 3.272 20 30 DGEDHM C[C@@H](N)c1ncc(C(=O)[N-]c2c(F)cc(C#N)cc2Cl)s1 ZINC001218994254 1094922991 /nfs/dbraw/zinc/92/29/91/1094922991.db2.gz BEAJLIRCRCQYMJ-ZCFIWIBFSA-N -1 3 324.768 3.079 20 30 DGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2occ(C)c2C)cc1 ZINC001122505641 1094992246 /nfs/dbraw/zinc/99/22/46/1094992246.db2.gz DKJMWUQESVSNAE-HNNXBMFYSA-N -1 3 310.353 3.420 20 30 DGEDHM N#Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c2cccnc12 ZINC001144631006 1095742762 /nfs/dbraw/zinc/74/27/62/1095742762.db2.gz BKZQZGZTQMMFOB-UHFFFAOYSA-N -1 3 321.311 3.132 20 30 DGEDHM CCN1CC[C@H](OC(F)(F)c2ccccc2/C(Cl)=N/[O-])C1 ZINC001222940260 1095797413 /nfs/dbraw/zinc/79/74/13/1095797413.db2.gz PCULPUPCSQVSCL-ZPEMJIOOSA-N -1 3 318.751 3.221 20 30 DGEDHM Cc1ccc2c(CCC(=O)[N-]Oc3cccc(C#N)c3)c[nH]c2c1 ZINC001171256622 1095942516 /nfs/dbraw/zinc/94/25/16/1095942516.db2.gz YJAQXMLYIGMNKA-UHFFFAOYSA-N -1 3 319.364 3.391 20 30 DGEDHM CC(=O)c1cccc([O-])c1NC(=O)c1cccc([C@@H](C)C#N)c1 ZINC001148616717 1096412571 /nfs/dbraw/zinc/41/25/71/1096412571.db2.gz ABTLPTJKXDTJAC-NSHDSACASA-N -1 3 308.337 3.474 20 30 DGEDHM COc1ccccc1OC[C@@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226115224 1096615821 /nfs/dbraw/zinc/61/58/21/1096615821.db2.gz YPQFIJUZJDFSNG-VBEHJTROSA-N -1 3 301.342 3.350 20 30 DGEDHM N#C[C@@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1F ZINC001226299401 1096656565 /nfs/dbraw/zinc/65/65/65/1096656565.db2.gz ASFWFUNVZWNDPU-CYBMUJFWSA-N -1 3 301.346 3.037 20 30 DGEDHM C[C@H](Oc1ccnc(=S)[n-]1)C(F)(F)C(F)(F)C(F)(F)F ZINC001226937890 1096820937 /nfs/dbraw/zinc/82/09/37/1096820937.db2.gz TVBKCJBQOPGYMW-BYPYZUCNSA-N -1 3 324.221 3.366 20 30 DGEDHM C#C[C@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1ccccc1 ZINC001228079153 1097046640 /nfs/dbraw/zinc/04/66/40/1097046640.db2.gz NUVLRVRFYDCRJV-AWEZNQCLSA-N -1 3 324.332 3.431 20 30 DGEDHM Cc1cc2[n-]c(OC3CCC(C#N)CC3)nc2cc1[N+](=O)[O-] ZINC001228673326 1097164341 /nfs/dbraw/zinc/16/43/41/1097164341.db2.gz GDURHOPPIHXKAM-UHFFFAOYSA-N -1 3 300.318 3.241 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](Oc2n[n-]c(-c3ccncc3)n2)C(C)(C)O1 ZINC001228699957 1097170832 /nfs/dbraw/zinc/17/08/32/1097170832.db2.gz LQKLIUBDZWNBNB-CXAGYDPISA-N -1 3 314.389 3.148 20 30 DGEDHM COC(=O)C[C@@H]1CCC[C@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229737425 1097374777 /nfs/dbraw/zinc/37/47/77/1097374777.db2.gz YMYHHVQGTDIZLN-LNFQUTBISA-N -1 3 305.374 3.386 20 30 DGEDHM 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AEGCBUWEVFSXDM-FQEVSTJZSA-N -1 3 320.392 3.136 20 30 DGEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000081583720 401080593 /nfs/dbraw/zinc/08/05/93/401080593.db2.gz LVKSFQWAWGNKBI-VHSXEESVSA-N -1 3 321.262 3.087 20 30 DGEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000081583720 401080601 /nfs/dbraw/zinc/08/06/01/401080601.db2.gz LVKSFQWAWGNKBI-VHSXEESVSA-N -1 3 321.262 3.087 20 30 DGEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000065617622 401274944 /nfs/dbraw/zinc/27/49/44/401274944.db2.gz UHEVPOIDYIHAIX-UHFFFAOYSA-N -1 3 320.392 3.415 20 30 DGEDHM CC(C)Oc1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1C#N ZINC000182138245 432160082 /nfs/dbraw/zinc/16/00/82/432160082.db2.gz NBXQROZXVBFUFI-ZZXKWVIFSA-N -1 3 323.352 3.098 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190886519 432197068 /nfs/dbraw/zinc/19/70/68/432197068.db2.gz PJUXEJKXCGUESS-LBPRGKRZSA-N -1 3 321.311 3.268 20 30 DGEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(-c2cccs2)n1 ZINC000131183670 227025522 /nfs/dbraw/zinc/02/55/22/227025522.db2.gz CORQOVLGFTZJND-LLVKDONJSA-N -1 3 308.366 3.034 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCCCC2)c(Cl)c1 ZINC000169260316 228267440 /nfs/dbraw/zinc/26/74/40/228267440.db2.gz MLKPSYPRPLRGEG-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CCC(C)C ZINC000299281676 229026808 /nfs/dbraw/zinc/02/68/08/229026808.db2.gz HULFEDSTANUQAA-GFCCVEGCSA-N -1 3 317.433 3.149 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccn(C)c2C2CCC2)nc(C)n1 ZINC000344731706 229144443 /nfs/dbraw/zinc/14/44/43/229144443.db2.gz PUNFPHFKDSSZIU-OAHLLOKOSA-N -1 3 308.385 3.190 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000345996298 229162829 /nfs/dbraw/zinc/16/28/29/229162829.db2.gz SCMPSKMWRFDWKS-LLVKDONJSA-N -1 3 303.724 3.376 20 30 DGEDHM N#CC(=C([O-])c1ccc(CCC(F)(F)F)cc1)c1ccncn1 ZINC000354456897 229295596 /nfs/dbraw/zinc/29/55/96/229295596.db2.gz BTJINWYYDCBBNI-CYBMUJFWSA-N -1 3 319.286 3.462 20 30 DGEDHM N#CC(=C([O-])c1c2c(nc3ccccc31)CCC2)c1ccncn1 ZINC000354469311 229295946 /nfs/dbraw/zinc/29/59/46/229295946.db2.gz QMMRYCISKCYRIZ-AWEZNQCLSA-N -1 3 314.348 3.004 20 30 DGEDHM N#CC[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000355610090 229313322 /nfs/dbraw/zinc/31/33/22/229313322.db2.gz SEMFNGLACRHOIZ-CYBMUJFWSA-N -1 3 321.340 3.091 20 30 DGEDHM N#CC[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000355610090 229313326 /nfs/dbraw/zinc/31/33/26/229313326.db2.gz SEMFNGLACRHOIZ-CYBMUJFWSA-N -1 3 321.340 3.091 20 30 DGEDHM N#CC[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000355610090 229313330 /nfs/dbraw/zinc/31/33/30/229313330.db2.gz SEMFNGLACRHOIZ-CYBMUJFWSA-N -1 3 321.340 3.091 20 30 DGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000355837422 229318797 /nfs/dbraw/zinc/31/87/97/229318797.db2.gz TVDZXHUTPMKDRL-UHFFFAOYSA-N -1 3 324.764 3.346 20 30 DGEDHM N#CC[C@@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000356475888 229336043 /nfs/dbraw/zinc/33/60/43/229336043.db2.gz IHLFFBWQTKYNAN-HNNXBMFYSA-N -1 3 312.344 3.235 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cc(C)nc3ccccc32)nc(C)n1 ZINC000357552736 229351599 /nfs/dbraw/zinc/35/15/99/229351599.db2.gz YUAIIXHIDDICOO-MRXNPFEDSA-N -1 3 316.364 3.440 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)cc1F ZINC000357476660 268161821 /nfs/dbraw/zinc/16/18/21/268161821.db2.gz MTMBVGRLDHQKTK-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM COc1nc(C([O-])=C(C#N)c2ccccn2)cc2ccccc21 ZINC000114617836 431401720 /nfs/dbraw/zinc/40/17/20/431401720.db2.gz VPAYBXBNMXMSSD-CQSZACIVSA-N -1 3 303.321 3.128 20 30 DGEDHM Cc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3Cl)n2)n1C ZINC000076365882 431545573 /nfs/dbraw/zinc/54/55/73/431545573.db2.gz SWTYIYDKFHEEIE-UHFFFAOYSA-N -1 3 315.764 3.408 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000076935470 431564126 /nfs/dbraw/zinc/56/41/26/431564126.db2.gz REEQIEDBCCQPOC-UHFFFAOYSA-N -1 3 300.383 3.284 20 30 DGEDHM CC(C)(C)c1nc(CC/N=C/c2ccc(O)c([O-])c2O)cs1 ZINC000119533099 431703724 /nfs/dbraw/zinc/70/37/24/431703724.db2.gz HIONWDXULAEHLO-CAOOACKPSA-N -1 3 320.414 3.219 20 30 DGEDHM Cc1cc(C(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)on1 ZINC000121463114 431789625 /nfs/dbraw/zinc/78/96/25/431789625.db2.gz QTBRDIYHJGIRHN-UHFFFAOYSA-N -1 3 324.365 3.154 20 30 DGEDHM COc1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122676304 431841596 /nfs/dbraw/zinc/84/15/96/431841596.db2.gz BUOZQVUGGLVPNY-ZDUSSCGKSA-N -1 3 305.337 3.072 20 30 DGEDHM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000088547182 431858656 /nfs/dbraw/zinc/85/86/56/431858656.db2.gz HCIICCOPOJRFBC-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CCCOc1ccc(/C=N/[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000123242326 431859226 /nfs/dbraw/zinc/85/92/26/431859226.db2.gz AHQNMTWYAYFISF-BYWREEGFSA-N -1 3 303.402 3.413 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cccn3)cc2)n1 ZINC000041519093 431859538 /nfs/dbraw/zinc/85/95/38/431859538.db2.gz AGUXICZFPWQYNH-AWEZNQCLSA-N -1 3 308.366 3.127 20 30 DGEDHM CC(C)C(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041481000 431859760 /nfs/dbraw/zinc/85/97/60/431859760.db2.gz BMVDIEFAVUPTLU-HNNXBMFYSA-N -1 3 307.353 3.166 20 30 DGEDHM Cc1ccc(C#N)cc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000127463266 431972041 /nfs/dbraw/zinc/97/20/41/431972041.db2.gz UHQRHXJSTYTABI-UHFFFAOYSA-N -1 3 300.745 3.407 20 30 DGEDHM CC(C)NC(=O)Nc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000049457215 431939859 /nfs/dbraw/zinc/93/98/59/431939859.db2.gz IEWDRZMZMQAOOX-AWEZNQCLSA-N -1 3 322.368 3.102 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1 ZINC000049456729 431939867 /nfs/dbraw/zinc/93/98/67/431939867.db2.gz HANHXGKHQQBIHH-HNNXBMFYSA-N -1 3 302.337 3.066 20 30 DGEDHM CC(C)(C)n1nc(C([O-])=C(C#N)c2ccccn2)cc1C1CC1 ZINC000049458849 431940425 /nfs/dbraw/zinc/94/04/25/431940425.db2.gz SYNYOGPKPFXXKD-ZDUSSCGKSA-N -1 3 308.385 3.401 20 30 DGEDHM CCc1cccc(OCC(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000060615272 431999615 /nfs/dbraw/zinc/99/96/15/431999615.db2.gz KAHDUPTYVREGGN-UHFFFAOYSA-N -1 3 312.329 3.294 20 30 DGEDHM CCc1cccc(OCC(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000060615272 431999617 /nfs/dbraw/zinc/99/96/17/431999617.db2.gz KAHDUPTYVREGGN-UHFFFAOYSA-N -1 3 312.329 3.294 20 30 DGEDHM CCc1cccc(OCC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000060615272 431999618 /nfs/dbraw/zinc/99/96/18/431999618.db2.gz KAHDUPTYVREGGN-UHFFFAOYSA-N -1 3 312.329 3.294 20 30 DGEDHM CCCOc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000271027570 432316747 /nfs/dbraw/zinc/31/67/47/432316747.db2.gz AYASZRXVZHPWBA-VXLYETTFSA-N -1 3 300.358 3.127 20 30 DGEDHM Cc1c(C(=O)[N-]c2sccc2C#N)oc2c1C(=O)CCC2 ZINC000192469843 432378838 /nfs/dbraw/zinc/37/88/38/432378838.db2.gz WEEXGAMUNJGYQV-UHFFFAOYSA-N -1 3 300.339 3.293 20 30 DGEDHM COc1ccc(C#N)cc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000152851790 432361623 /nfs/dbraw/zinc/36/16/23/432361623.db2.gz HXTDGJXCYSDEKL-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccs1 ZINC000156668095 432604565 /nfs/dbraw/zinc/60/45/65/432604565.db2.gz RTCSVKAJEZOJGH-LBPRGKRZSA-N -1 3 324.402 3.188 20 30 DGEDHM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000187475465 432665155 /nfs/dbraw/zinc/66/51/55/432665155.db2.gz HRIBHCCHWHSPRS-HNNXBMFYSA-N -1 3 302.337 3.066 20 30 DGEDHM CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000227302783 432712062 /nfs/dbraw/zinc/71/20/62/432712062.db2.gz VLKYPONVLPMBMR-UHFFFAOYSA-N -1 3 314.838 3.459 20 30 DGEDHM C=C(C)CN(CC)C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000160512556 432724199 /nfs/dbraw/zinc/72/41/99/432724199.db2.gz VZNLLAUNRYLDNI-UHFFFAOYSA-N -1 3 302.349 3.014 20 30 DGEDHM CCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000178808649 432778992 /nfs/dbraw/zinc/77/89/92/432778992.db2.gz BBQLFSKNFVTLDX-UHFFFAOYSA-N -1 3 304.346 3.061 20 30 DGEDHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230337086 432729005 /nfs/dbraw/zinc/72/90/05/432729005.db2.gz VLEHGKFUKDTXJC-NSHDSACASA-N -1 3 300.449 3.113 20 30 DGEDHM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000162349367 432821788 /nfs/dbraw/zinc/82/17/88/432821788.db2.gz RNVZKUVKQHBIRV-GFCCVEGCSA-N -1 3 320.352 3.235 20 30 DGEDHM CCS[C@@H]1CCCC[C@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000267394232 432834115 /nfs/dbraw/zinc/83/41/15/432834115.db2.gz VVNJXVBZWXHSKJ-DVXNSDPISA-N -1 3 308.447 3.071 20 30 DGEDHM C#C[C@@H](NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O)C(C)(C)C ZINC000288141117 432888329 /nfs/dbraw/zinc/88/83/29/432888329.db2.gz IZLMGXMOHCGYEN-CQSZACIVSA-N -1 3 314.360 3.166 20 30 DGEDHM C=CCN(C)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000297617718 432999949 /nfs/dbraw/zinc/99/99/49/432999949.db2.gz LAQUUWDHSSAQIE-UHFFFAOYSA-N -1 3 300.196 3.171 20 30 DGEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cnccn3)c(C#N)c2[C@@H]1C ZINC000297814084 433019947 /nfs/dbraw/zinc/01/99/47/433019947.db2.gz LTFFAWHSLKXPPM-NXEZZACHSA-N -1 3 312.398 3.348 20 30 DGEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3cnsn3)sc2CC[C@@H]1C ZINC000297892783 433029059 /nfs/dbraw/zinc/02/90/59/433029059.db2.gz QKPCUNNAIVPFON-JGVFFNPUSA-N -1 3 318.427 3.409 20 30 DGEDHM CCOc1cc(-c2noc(-c3cc(C#N)oc3C)n2)ccc1[O-] ZINC000350589696 433219124 /nfs/dbraw/zinc/21/91/24/433219124.db2.gz ZXUIOJDWWSGKRM-UHFFFAOYSA-N -1 3 311.297 3.281 20 30 DGEDHM N#CC(=C([O-])c1ccnc(C2CC2)c1)c1cnc2ccccc2n1 ZINC000361541353 433230030 /nfs/dbraw/zinc/23/00/30/433230030.db2.gz OJYVKAQSDVLKCA-AWEZNQCLSA-N -1 3 314.348 3.392 20 30 DGEDHM CCCOc1ccc(/C=N/C2CCC(NC(C)=O)CC2)c([O-])c1 ZINC000299687819 433377024 /nfs/dbraw/zinc/37/70/24/433377024.db2.gz XYERURYVLZKIDL-XDHOZWIPSA-N -1 3 318.417 3.047 20 30 DGEDHM N#Cc1csc(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)c1 ZINC000448537869 433418668 /nfs/dbraw/zinc/41/86/68/433418668.db2.gz KOBOVRBZKBJCLH-UHFFFAOYSA-N -1 3 313.313 3.666 20 30 DGEDHM C=CCOc1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000426693252 433562805 /nfs/dbraw/zinc/56/28/05/433562805.db2.gz YYNQRLPOXMVTOD-UHFFFAOYSA-N -1 3 311.381 3.168 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](COCC(C)C)c1ccco1 ZINC000292983476 433605072 /nfs/dbraw/zinc/60/50/72/433605072.db2.gz HNYLBTQUVNDFLH-LBPRGKRZSA-N -1 3 301.333 3.321 20 30 DGEDHM C[C@H](C#N)CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436575651 434016381 /nfs/dbraw/zinc/01/63/81/434016381.db2.gz JGLJUWFJZJJXCI-OAHLLOKOSA-N -1 3 322.408 3.409 20 30 DGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000436942682 434176653 /nfs/dbraw/zinc/17/66/53/434176653.db2.gz WVCHMHMDIZHUIC-UHFFFAOYSA-N -1 3 324.380 3.268 20 30 DGEDHM CC#CCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436988863 434194362 /nfs/dbraw/zinc/19/43/62/434194362.db2.gz NGWUDJUWMZSAEY-UHFFFAOYSA-N -1 3 309.365 3.114 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000416943014 434258072 /nfs/dbraw/zinc/25/80/72/434258072.db2.gz BQOVVFCVTBZSTM-MRXNPFEDSA-N -1 3 322.430 3.190 20 30 DGEDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000169276088 299870617 /nfs/dbraw/zinc/87/06/17/299870617.db2.gz NRNDMSRSQUSMBT-CMPLNLGQSA-N -1 3 312.822 3.069 20 30 DGEDHM C=CCCCCCCNC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000287246315 434311838 /nfs/dbraw/zinc/31/18/38/434311838.db2.gz XAUFBQHRMSNTCR-UHFFFAOYSA-N -1 3 307.390 3.276 20 30 DGEDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000329100695 434357833 /nfs/dbraw/zinc/35/78/33/434357833.db2.gz DUEVTMRUBXEVHX-CZUORRHYSA-N -1 3 302.374 3.157 20 30 DGEDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)c(C)c2)c1 ZINC000417579862 434447812 /nfs/dbraw/zinc/44/78/12/434447812.db2.gz DHUGDIOPQBEKDA-GOSISDBHSA-N -1 3 324.380 3.181 20 30 DGEDHM Cc1cc(CN[C@H](CC(=O)[O-])c2ccsc2)ccc1C#N ZINC000417538489 434429851 /nfs/dbraw/zinc/42/98/51/434429851.db2.gz ULZUORRQKDJBIO-OAHLLOKOSA-N -1 3 300.383 3.234 20 30 DGEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000369186053 434590502 /nfs/dbraw/zinc/59/05/02/434590502.db2.gz YOXYOSDPXHITQU-UHFFFAOYSA-N -1 3 316.367 3.292 20 30 DGEDHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000410333982 434642343 /nfs/dbraw/zinc/64/23/43/434642343.db2.gz BAKZAJSXAYOXNF-SUMWQHHRSA-N -1 3 320.458 3.195 20 30 DGEDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443066330 434775807 /nfs/dbraw/zinc/77/58/07/434775807.db2.gz HFSVCEWQGGNXIT-XYPYZODXSA-N -1 3 312.822 3.069 20 30 DGEDHM C#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(F)cc1 ZINC000491803511 434866204 /nfs/dbraw/zinc/86/62/04/434866204.db2.gz JUHJVKMMRDZGOM-HNNXBMFYSA-N -1 3 303.720 3.289 20 30 DGEDHM C[C@H]1CCCN(c2cc(C([O-])=C(C#N)c3ccccn3)ccn2)C1 ZINC000577796712 435061955 /nfs/dbraw/zinc/06/19/55/435061955.db2.gz WSHDUOVRAHDGJP-GOEBONIOSA-N -1 3 320.396 3.203 20 30 DGEDHM C[C@@H]1CCCN(c2cc(C([O-])=C(C#N)c3ccccn3)ccn2)C1 ZINC000577796711 435062353 /nfs/dbraw/zinc/06/23/53/435062353.db2.gz WSHDUOVRAHDGJP-GDBMZVCRSA-N -1 3 320.396 3.203 20 30 DGEDHM C=CCOc1ccccc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000556893023 435036624 /nfs/dbraw/zinc/03/66/24/435036624.db2.gz OSWKPDFDMKGGJF-UHFFFAOYSA-N -1 3 311.337 3.412 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1c(C)nn(CCCC)c1Cl ZINC000493259580 435135999 /nfs/dbraw/zinc/13/59/99/435135999.db2.gz NTJJXZYMTPRKLM-ANYFNZRUSA-N -1 3 311.813 3.281 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl ZINC000493490031 435182280 /nfs/dbraw/zinc/18/22/80/435182280.db2.gz VOUAGWUCCQRAED-WSKFYRRCSA-N -1 3 311.813 3.136 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl ZINC000493490028 435182414 /nfs/dbraw/zinc/18/24/14/435182414.db2.gz VOUAGWUCCQRAED-AEZGRPFRSA-N -1 3 311.813 3.136 20 30 DGEDHM CSc1cccc(C)c1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000566309138 435286887 /nfs/dbraw/zinc/28/68/87/435286887.db2.gz SSRJFCYMVDEJID-UHFFFAOYSA-N -1 3 312.460 3.399 20 30 DGEDHM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000570150217 435592783 /nfs/dbraw/zinc/59/27/83/435592783.db2.gz OOAIQUWUSILKII-AAEUAGOBSA-N -1 3 312.460 3.257 20 30 DGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ncccc1[O-] ZINC000570318235 435609043 /nfs/dbraw/zinc/60/90/43/435609043.db2.gz DOZJQJCROZNOMB-UHFFFAOYSA-N -1 3 300.406 3.143 20 30 DGEDHM C#C[C@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000491285523 435724809 /nfs/dbraw/zinc/72/48/09/435724809.db2.gz DDYMFWKFDJQWOK-AWEZNQCLSA-N -1 3 315.756 3.159 20 30 DGEDHM N#C[C@H]1CC[C@@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000571517079 435712187 /nfs/dbraw/zinc/71/21/87/435712187.db2.gz DECNYBZPPKCDEW-DTWKUNHWSA-N -1 3 320.805 3.214 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(N3CCCC3)c2)nc(C)n1 ZINC000659024404 436459260 /nfs/dbraw/zinc/45/92/60/436459260.db2.gz BTUPXLOGXQPHMN-KRWDZBQOSA-N -1 3 320.396 3.184 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc3c2OC(C)(C)C3)nc(C)n1 ZINC000654970046 436479032 /nfs/dbraw/zinc/47/90/32/436479032.db2.gz VBOWOFRAEBUJFV-OAHLLOKOSA-N -1 3 321.380 3.297 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(C(C)(C)C)n3)nc21 ZINC000654981611 436480563 /nfs/dbraw/zinc/48/05/63/436480563.db2.gz UZFVBMOYDCCQCQ-LBPRGKRZSA-N -1 3 321.384 3.313 20 30 DGEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccsn3)sc2C1 ZINC000565290592 315250127 /nfs/dbraw/zinc/25/01/27/315250127.db2.gz PPJIIEOLLXNGEP-QMMMGPOBSA-N -1 3 303.412 3.453 20 30 DGEDHM CCN(C(=O)c1cccc2[n-]nnc21)[C@H](C)c1ccc(C#N)cc1 ZINC000183472198 323338943 /nfs/dbraw/zinc/33/89/43/323338943.db2.gz OMSGVNFFLQUEDX-GFCCVEGCSA-N -1 3 319.368 3.053 20 30 DGEDHM CCN(C(=O)c1cccc2nn[n-]c21)[C@H](C)c1ccc(C#N)cc1 ZINC000183472198 323338948 /nfs/dbraw/zinc/33/89/48/323338948.db2.gz OMSGVNFFLQUEDX-GFCCVEGCSA-N -1 3 319.368 3.053 20 30 DGEDHM CCN(C(=O)c1cccc2n[n-]nc21)[C@H](C)c1ccc(C#N)cc1 ZINC000183472198 323338951 /nfs/dbraw/zinc/33/89/51/323338951.db2.gz OMSGVNFFLQUEDX-GFCCVEGCSA-N -1 3 319.368 3.053 20 30 DGEDHM Cc1ccc(NC(=O)/C=C\c2ccc(OCC#N)cc2)c([O-])c1 ZINC000255777549 331800999 /nfs/dbraw/zinc/80/09/99/331800999.db2.gz SFPRAVVTJCSXBM-UITAMQMPSA-N -1 3 308.337 3.255 20 30 DGEDHM N#CCCC1CCN(C(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000583382614 332376340 /nfs/dbraw/zinc/37/63/40/332376340.db2.gz HLGWUESAOQEURO-UHFFFAOYSA-N -1 3 306.793 3.130 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC[C@H]1C/N=C/c1ccccc1[O-] ZINC000170963929 333043014 /nfs/dbraw/zinc/04/30/14/333043014.db2.gz BZACZMLGEQJRRO-BGARDKSCSA-N -1 3 304.390 3.211 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000416966514 334687752 /nfs/dbraw/zinc/68/77/52/334687752.db2.gz YLVHPQILUYPTPS-LLVKDONJSA-N -1 3 320.336 3.225 20 30 DGEDHM C=CCNC(=O)c1ccc(NCc2c(F)ccc([O-])c2F)cc1 ZINC000357708908 336595330 /nfs/dbraw/zinc/59/53/30/336595330.db2.gz MDMJEUIQGZUOGL-UHFFFAOYSA-N -1 3 318.323 3.198 20 30 DGEDHM CC(C)(C#N)c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000025438542 337030586 /nfs/dbraw/zinc/03/05/86/337030586.db2.gz GKIJJDZLTNJXDC-UHFFFAOYSA-N -1 3 305.341 3.011 20 30 DGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000533090959 337814970 /nfs/dbraw/zinc/81/49/70/337814970.db2.gz VMRGZJDXELXQAM-SECBINFHSA-N -1 3 321.229 3.272 20 30 DGEDHM CC1(C)CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@@H]1C#N ZINC000459429927 339028731 /nfs/dbraw/zinc/02/87/31/339028731.db2.gz QOFBMLKOAGNGDP-MRXNPFEDSA-N -1 3 322.412 3.363 20 30 DGEDHM Cc1c(C#N)cccc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000338625096 533717817 /nfs/dbraw/zinc/71/78/17/533717817.db2.gz MGCRJSFVQWWFRK-AWEZNQCLSA-N -1 3 300.321 3.233 20 30 DGEDHM N#CC(=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000077865825 341231922 /nfs/dbraw/zinc/23/19/22/341231922.db2.gz FXEHVGKYZCMZBA-LBPRGKRZSA-N -1 3 301.689 3.133 20 30 DGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000564567470 341504212 /nfs/dbraw/zinc/50/42/12/341504212.db2.gz KQHVSYAQSCXFLQ-NSHDSACASA-N -1 3 321.229 3.210 20 30 DGEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000342078284 527027752 /nfs/dbraw/zinc/02/77/52/527027752.db2.gz CQDSKKLLIWALOU-LLVKDONJSA-N -1 3 312.373 3.244 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000342066437 527139561 /nfs/dbraw/zinc/13/95/61/527139561.db2.gz BSSWPQDYPFIFHK-NSHDSACASA-N -1 3 308.428 3.053 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SC[C@H](OC(C)C)c1ccccc1 ZINC000291630790 527284867 /nfs/dbraw/zinc/28/48/67/527284867.db2.gz JBIDNQXQOUJCDY-AWEZNQCLSA-N -1 3 319.430 3.016 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCCCOc1cc(C)cc(C)c1 ZINC000348133565 527332762 /nfs/dbraw/zinc/33/27/62/527332762.db2.gz VWYOSIWELDDTOB-UHFFFAOYSA-N -1 3 319.430 3.348 20 30 DGEDHM C=CCC[C@@H](NC(=O)c1c[n-]nn1)c1ccc(C(F)(F)F)cc1 ZINC000441574928 527445592 /nfs/dbraw/zinc/44/55/92/527445592.db2.gz USCBMTZYYHWBJG-GFCCVEGCSA-N -1 3 324.306 3.261 20 30 DGEDHM C=CCC[C@@H](NC(=O)c1cnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000441574928 527445597 /nfs/dbraw/zinc/44/55/97/527445597.db2.gz USCBMTZYYHWBJG-GFCCVEGCSA-N -1 3 324.306 3.261 20 30 DGEDHM C=CCC[C@@H](NC(=O)c1cn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000441574928 527445602 /nfs/dbraw/zinc/44/56/02/527445602.db2.gz USCBMTZYYHWBJG-GFCCVEGCSA-N -1 3 324.306 3.261 20 30 DGEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000344734560 527451267 /nfs/dbraw/zinc/45/12/67/527451267.db2.gz YFGPZEXCIMWMAC-OAHLLOKOSA-N -1 3 316.382 3.137 20 30 DGEDHM CC(C)(C#N)C(=O)[N-]c1cc(-c2ccc(OC(F)F)cc2)no1 ZINC000175972840 527452122 /nfs/dbraw/zinc/45/21/22/527452122.db2.gz DHBBHUHRKZCENA-UHFFFAOYSA-N -1 3 321.283 3.431 20 30 DGEDHM C=C[C@](C)(O)CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000431849478 527639376 /nfs/dbraw/zinc/63/93/76/527639376.db2.gz DLIVOCHNMKMUOD-IBGZPJMESA-N -1 3 311.381 3.249 20 30 DGEDHM C=Cc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000340365529 527644144 /nfs/dbraw/zinc/64/41/44/527644144.db2.gz KZAYOKGZTMWJEA-HNNXBMFYSA-N -1 3 306.369 3.138 20 30 DGEDHM CC(C)CC1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCC1 ZINC000435437022 527695445 /nfs/dbraw/zinc/69/54/45/527695445.db2.gz IEXLUGZCENEQOT-UHFFFAOYSA-N -1 3 312.460 3.114 20 30 DGEDHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169262015 527805749 /nfs/dbraw/zinc/80/57/49/527805749.db2.gz IHYGMQNYPBAYTE-LLVKDONJSA-N -1 3 314.838 3.315 20 30 DGEDHM CC1=C(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)CCC1 ZINC000331221502 528084332 /nfs/dbraw/zinc/08/43/32/528084332.db2.gz AUMLXGGPGBLLDZ-UHFFFAOYSA-N -1 3 312.366 3.286 20 30 DGEDHM CC(C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000347774419 528103022 /nfs/dbraw/zinc/10/30/22/528103022.db2.gz BTQFBCVMSUPVMG-ZDUSSCGKSA-N -1 3 320.352 3.235 20 30 DGEDHM CCCCO[C@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000176414326 528651229 /nfs/dbraw/zinc/65/12/29/528651229.db2.gz UYJJJPRXEQXFTF-JXIDHOQNSA-N -1 3 307.390 3.206 20 30 DGEDHM CCN(c1ccc(C([O-])=C(C#N)c2ccccn2)cn1)C(C)C ZINC000358001452 528932330 /nfs/dbraw/zinc/93/23/30/528932330.db2.gz RMKMNADVCAFOOD-HNNXBMFYSA-N -1 3 308.385 3.201 20 30 DGEDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160828561 529337252 /nfs/dbraw/zinc/33/72/52/529337252.db2.gz KQJQMDZZKAZQID-MNOVXSKESA-N -1 3 314.838 3.315 20 30 DGEDHM C=CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000161852036 546073964 /nfs/dbraw/zinc/07/39/64/546073964.db2.gz WHHMLICIGNLESM-UHFFFAOYSA-N -1 3 313.728 3.213 20 30 DGEDHM Cc1cc(C)nc(N=NC2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000730543049 574531436 /nfs/dbraw/zinc/53/14/36/574531436.db2.gz DFSAKUMYGRHQBH-MRVPVSSYSA-N -1 3 300.337 3.262 20 30 DGEDHM Cc1cccc(OCCN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738738207 574574907 /nfs/dbraw/zinc/57/49/07/574574907.db2.gz XPRIXUKGQOBBDY-SFHVURJKSA-N -1 3 324.380 3.003 20 30 DGEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)Nc1ccccc1 ZINC000732529424 574575569 /nfs/dbraw/zinc/57/55/69/574575569.db2.gz VYGKBXHLSDGORZ-TZQXVGBESA-N -1 3 302.761 3.492 20 30 DGEDHM CCc1cccc2c1NC(=O)C2=N[N-]c1ncccc1Cl ZINC000733076144 574594433 /nfs/dbraw/zinc/59/44/33/574594433.db2.gz HQSRCSSLESCTFB-UHFFFAOYSA-N -1 3 300.749 3.066 20 30 DGEDHM COc1cccc([O-])c1/C=N\[C@H]1CCCN(c2ccccc2)C1 ZINC000734303029 574655551 /nfs/dbraw/zinc/65/55/51/574655551.db2.gz ASLHYDWYAKPMJP-HYTQYMIGSA-N -1 3 310.397 3.489 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)C(C)(C)C ZINC000734341713 574657101 /nfs/dbraw/zinc/65/71/01/574657101.db2.gz XYGPRSSWLPXUNU-NSHDSACASA-N -1 3 317.433 3.007 20 30 DGEDHM CCOc1ccc(/C=N\[C@H]2CCCc3nc(C)ncc32)c([O-])c1 ZINC000734752491 574675710 /nfs/dbraw/zinc/67/57/10/574675710.db2.gz FBYTXNFHCHVKPB-OBLBUWMUSA-N -1 3 311.385 3.386 20 30 DGEDHM CCOc1ccc(/C=N/[C@@H]2CCCc3nc(C)ncc32)c([O-])c1 ZINC000734752494 574675740 /nfs/dbraw/zinc/67/57/40/574675740.db2.gz FBYTXNFHCHVKPB-OVEPSTSESA-N -1 3 311.385 3.386 20 30 DGEDHM COC(=O)NCc1ccc(N=Cc2c([O-])cccc2OC)cc1 ZINC000735228696 574692097 /nfs/dbraw/zinc/69/20/97/574692097.db2.gz FORLMJDHDMQNQP-UHFFFAOYSA-N -1 3 314.341 3.007 20 30 DGEDHM C=CCCCCCN(C)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000735408148 574701285 /nfs/dbraw/zinc/70/12/85/574701285.db2.gz GSFRMGLRCLHTQQ-UHFFFAOYSA-N -1 3 303.385 3.184 20 30 DGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccncc1 ZINC000735420307 574701534 /nfs/dbraw/zinc/70/15/34/574701534.db2.gz OOLWNDCOPACWQG-AWEZNQCLSA-N -1 3 320.400 3.011 20 30 DGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccncc1 ZINC000735420307 574701536 /nfs/dbraw/zinc/70/15/36/574701536.db2.gz OOLWNDCOPACWQG-AWEZNQCLSA-N -1 3 320.400 3.011 20 30 DGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)c(Cl)c1 ZINC000736823356 574807741 /nfs/dbraw/zinc/80/77/41/574807741.db2.gz XTDCORDKZJQJRG-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)c(Cl)c1 ZINC000736823356 574807742 /nfs/dbraw/zinc/80/77/42/574807742.db2.gz XTDCORDKZJQJRG-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737254052 574830564 /nfs/dbraw/zinc/83/05/64/574830564.db2.gz WENKNELXNPFPHZ-SREVYHEPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737254052 574830568 /nfs/dbraw/zinc/83/05/68/574830568.db2.gz WENKNELXNPFPHZ-SREVYHEPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000737261866 574831213 /nfs/dbraw/zinc/83/12/13/574831213.db2.gz BKKOZWRTERABQI-YVMONPNESA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000737261866 574831215 /nfs/dbraw/zinc/83/12/15/574831215.db2.gz BKKOZWRTERABQI-YVMONPNESA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737382486 574841064 /nfs/dbraw/zinc/84/10/64/574841064.db2.gz VVOHICGKPUDGLQ-FLIBITNWSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737382486 574841065 /nfs/dbraw/zinc/84/10/65/574841065.db2.gz VVOHICGKPUDGLQ-FLIBITNWSA-N -1 3 304.353 3.380 20 30 DGEDHM FC(F)(F)c1cc(N=NCC2CCCC2)ccc1-c1nnn[n-]1 ZINC000737630994 574854099 /nfs/dbraw/zinc/85/40/99/574854099.db2.gz AQOGJYMEMKXVGG-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM FC(F)(F)c1cc(N=NCC2CCCC2)ccc1-c1nn[n-]n1 ZINC000737630994 574854102 /nfs/dbraw/zinc/85/41/02/574854102.db2.gz AQOGJYMEMKXVGG-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737947412 574857408 /nfs/dbraw/zinc/85/74/08/574857408.db2.gz IDLAPPYTEHMHSH-SJCJKPOMSA-N -1 3 310.353 3.043 20 30 DGEDHM N#Cc1ccc([C@@H](N[C@H]2CCc3c2cccc3F)C(=O)[O-])cc1 ZINC000739106492 574892407 /nfs/dbraw/zinc/89/24/07/574892407.db2.gz NFSIVXDYIKFDBN-DLBZAZTESA-N -1 3 310.328 3.100 20 30 DGEDHM CCOc1ccc(/C=N/[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([O-])c1 ZINC000741463480 574958606 /nfs/dbraw/zinc/95/86/06/574958606.db2.gz GMHXBVCZCNYDGP-PLEQNWNZSA-N -1 3 303.402 3.413 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@@H](C)Oc1cccc(F)c1 ZINC000741841496 574973268 /nfs/dbraw/zinc/97/32/68/574973268.db2.gz AKAGJJARPSSMRT-ZDFPAGSVSA-N -1 3 303.333 3.426 20 30 DGEDHM N#Cc1ccc(F)c(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)c1 ZINC000742733020 575015876 /nfs/dbraw/zinc/01/58/76/575015876.db2.gz PMNLKMRQDAWUOW-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM CC1(C)CCC(=N[N-]S(=O)(=O)CCc2ccccc2)CC1 ZINC000743449042 575051756 /nfs/dbraw/zinc/05/17/56/575051756.db2.gz LKTFMZFXCHDHSI-UHFFFAOYSA-N -1 3 308.447 3.105 20 30 DGEDHM Cc1c(N=Cc2cccc([O-])c2O)cccc1N1CCOC1=O ZINC000743501340 575054941 /nfs/dbraw/zinc/05/49/41/575054941.db2.gz IVECKOWUUNUVPV-UHFFFAOYSA-N -1 3 312.325 3.113 20 30 DGEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744028908 575069241 /nfs/dbraw/zinc/06/92/41/575069241.db2.gz OCNIOERFRNNCCP-OFAQMXQXSA-N -1 3 310.397 3.425 20 30 DGEDHM C=CCCO[C@H](C)C(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000729272658 575231539 /nfs/dbraw/zinc/23/15/39/575231539.db2.gz NTQCMAMWKLGFPO-LLVKDONJSA-N -1 3 304.321 3.400 20 30 DGEDHM [O-]c1ccccc1/C=N\[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000730147120 575276442 /nfs/dbraw/zinc/27/64/42/575276442.db2.gz JYUHQDYNEIXUQU-IPZKOZABSA-N -1 3 302.324 3.368 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2cccc3ccccc32)c1[O-] ZINC000745624417 575407180 /nfs/dbraw/zinc/40/71/80/575407180.db2.gz KICGOHUAXGQGFN-RGVLZGJSSA-N -1 3 306.365 3.360 20 30 DGEDHM CC(C)c1nc(C#N)c(N=NCc2cc(Cl)ccc2[O-])o1 ZINC000745624782 575407337 /nfs/dbraw/zinc/40/73/37/575407337.db2.gz NPTJZCASCKYWOM-UHFFFAOYSA-N -1 3 304.737 3.475 20 30 DGEDHM Cc1ccc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)o1 ZINC000746481422 575454792 /nfs/dbraw/zinc/45/47/92/575454792.db2.gz IRWLXKXFAQBYQU-UHFFFAOYSA-N -1 3 305.677 3.274 20 30 DGEDHM CC(=NOCc1cccnc1)c1ccc(N2CCCC2)cc1[O-] ZINC000746585488 575463561 /nfs/dbraw/zinc/46/35/61/575463561.db2.gz GECWAOZTUVNJJH-UHFFFAOYSA-N -1 3 311.385 3.328 20 30 DGEDHM CC(C)(C)OCC/N=C/c1cc(Br)ccc1[O-] ZINC000746682444 575470019 /nfs/dbraw/zinc/47/00/19/575470019.db2.gz WAWZVAAEWXKAAE-OQLLNIDSSA-N -1 3 300.196 3.389 20 30 DGEDHM CN(C(=O)C/N=C/c1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000748284397 575578215 /nfs/dbraw/zinc/57/82/15/575578215.db2.gz BLNCTEPBZOPQOD-VCHYOVAHSA-N -1 3 308.809 3.256 20 30 DGEDHM CCOc1ccc(/C=N\CC(=O)N(C)C2CCCCC2)c([O-])c1 ZINC000748285610 575578256 /nfs/dbraw/zinc/57/82/56/575578256.db2.gz LBZCBSFASDNILS-UNOMPAQXSA-N -1 3 318.417 3.001 20 30 DGEDHM Cc1cc(C#N)ccc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000748934180 575616315 /nfs/dbraw/zinc/61/63/15/575616315.db2.gz IVUZMNAXWSLYSG-UHFFFAOYSA-N -1 3 307.309 3.207 20 30 DGEDHM Cc1cc(C#N)ccc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000748934180 575616319 /nfs/dbraw/zinc/61/63/19/575616319.db2.gz IVUZMNAXWSLYSG-UHFFFAOYSA-N -1 3 307.309 3.207 20 30 DGEDHM O=C1[C@H](/N=C\c2ccccc2[O-])CCN1CCCc1ccccc1 ZINC000749931767 575689601 /nfs/dbraw/zinc/68/96/01/575689601.db2.gz WGAPIALXYQIKHY-AFDUHFSSSA-N -1 3 322.408 3.045 20 30 DGEDHM COCCCOc1cccc(N=Cc2cccc([O-])c2O)c1 ZINC000750818020 575753645 /nfs/dbraw/zinc/75/36/45/575753645.db2.gz MPBZDLWFIBTQHB-UHFFFAOYSA-N -1 3 301.342 3.264 20 30 DGEDHM COc1ccc(NN=C2C(=O)[N-]c3c2c(Cl)ccc3F)cc1 ZINC000750921299 575761938 /nfs/dbraw/zinc/76/19/38/575761938.db2.gz GCLGSICXOWIUOJ-UHFFFAOYSA-N -1 3 319.723 3.256 20 30 DGEDHM COc1cccc([O-])c1/C=N/CCc1ccn(-c2ccccc2)n1 ZINC000750948125 575763712 /nfs/dbraw/zinc/76/37/12/575763712.db2.gz HCGXEICAJNBNFJ-XSFVSMFZSA-N -1 3 321.380 3.248 20 30 DGEDHM COc1cccc([O-])c1/C=N\[C@H]1CCOc2c(OC)cccc21 ZINC000750949716 575764233 /nfs/dbraw/zinc/76/42/33/575764233.db2.gz IBCQURRGFVRZSV-KVMVOAJRSA-N -1 3 313.353 3.352 20 30 DGEDHM COc1cccc(C([O-])=C(C#N)c2ccc3ccccc3n2)n1 ZINC000752159483 575825216 /nfs/dbraw/zinc/82/52/16/575825216.db2.gz HKOUGKWKGJTJTN-ZDUSSCGKSA-N -1 3 303.321 3.128 20 30 DGEDHM CN(Cc1ccccc1[O-])Cc1ccc(C#N)cc1OC(F)F ZINC000752286305 575831039 /nfs/dbraw/zinc/83/10/39/575831039.db2.gz BHAMOULLDQMKFT-UHFFFAOYSA-N -1 3 318.323 3.497 20 30 DGEDHM CC(N=Nc1ncnc2sccc21)c1cc(F)ccc1[O-] ZINC000725817830 575920378 /nfs/dbraw/zinc/92/03/78/575920378.db2.gz NUIBYFSXYRGBJI-UHFFFAOYSA-N -1 3 302.334 3.372 20 30 DGEDHM N#Cc1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000725845550 575928462 /nfs/dbraw/zinc/92/84/62/575928462.db2.gz DMFQSQPMVAYXKA-UHFFFAOYSA-N -1 3 317.732 3.115 20 30 DGEDHM COc1cccc([O-])c1/C=N\Cc1nc(C)c2ccccc2n1 ZINC000726429843 576021514 /nfs/dbraw/zinc/02/15/14/576021514.db2.gz RZPMFMNUAGFGED-GRSHGNNSSA-N -1 3 307.353 3.272 20 30 DGEDHM N#Cc1ccc(NN=Cc2cccc(O)c2[O-])cc1C(F)(F)F ZINC000726426406 576022855 /nfs/dbraw/zinc/02/28/55/576022855.db2.gz XNAUAJOJTJSWHP-UHFFFAOYSA-N -1 3 321.258 3.434 20 30 DGEDHM Cc1ccc(C)c2c1NC(=O)C2=N[N-]c1cnc2ccccc2n1 ZINC000727256673 576115408 /nfs/dbraw/zinc/11/54/08/576115408.db2.gz SRDPPUFCCVTCRD-UHFFFAOYSA-N -1 3 317.352 3.015 20 30 DGEDHM COc1cccc([O-])c1/C=N/Cc1c(C)cc(C)nc1OC ZINC000727264447 576115734 /nfs/dbraw/zinc/11/57/34/576115734.db2.gz SYSAWVJMESOMTO-VCHYOVAHSA-N -1 3 300.358 3.040 20 30 DGEDHM O=[N+]([O-])c1ccc(NN=Cc2ccc(O)cc2[O-])c(Cl)c1 ZINC000727651758 576136590 /nfs/dbraw/zinc/13/65/90/576136590.db2.gz PDJQPAOZYQACSR-UHFFFAOYSA-N -1 3 307.693 3.105 20 30 DGEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910107 620650095 /nfs/dbraw/zinc/65/00/95/620650095.db2.gz QLAUDKGMWUJJAL-NSHDSACASA-N -1 3 302.717 3.203 20 30 DGEDHM C#C[C@@H](/N=C/c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000852998284 620658413 /nfs/dbraw/zinc/65/84/13/620658413.db2.gz JYARNMMEAQTSKF-NGWPFTMJSA-N -1 3 322.202 3.002 20 30 DGEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccc(Cl)c(Cl)c1 ZINC000917555289 620675350 /nfs/dbraw/zinc/67/53/50/620675350.db2.gz IXXCABZXTDHIDQ-UHFFFAOYSA-N -1 3 321.171 3.496 20 30 DGEDHM C=CCOc1ccccc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000378871587 608869483 /nfs/dbraw/zinc/86/94/83/608869483.db2.gz OYUGXISLTMLNGR-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM C=CCOc1ccccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000378871587 608869484 /nfs/dbraw/zinc/86/94/84/608869484.db2.gz OYUGXISLTMLNGR-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM C=CCCC(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924080554 618101232 /nfs/dbraw/zinc/10/12/32/618101232.db2.gz ZITWMYZODDMITM-UHFFFAOYSA-N -1 3 308.284 3.193 20 30 DGEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)Nc1ccccc1 ZINC000111998027 620778826 /nfs/dbraw/zinc/77/88/26/620778826.db2.gz VYGKBXHLSDGORZ-HPAYWCODSA-N -1 3 302.761 3.492 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCc3c2cccc3Cl)c1[O-] ZINC000920177843 620789984 /nfs/dbraw/zinc/78/99/84/620789984.db2.gz LKHZSJPIXFYBML-YSNFCQRUSA-N -1 3 316.788 3.348 20 30 DGEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(F)cc1 ZINC000920384062 620798633 /nfs/dbraw/zinc/79/86/33/620798633.db2.gz TZDDYEVPQQJOBC-UHFFFAOYSA-N -1 3 320.389 3.059 20 30 DGEDHM CC(=O)Nc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1Cl ZINC000920386671 620798726 /nfs/dbraw/zinc/79/87/26/620798726.db2.gz CQYZWCUUOYJKPN-UHFFFAOYSA-N -1 3 320.732 3.166 20 30 DGEDHM Cc1cc(=O)[n-]c(N=NC2C[C@@H](Oc3ccccc3)C2(C)C)n1 ZINC000788929375 625297812 /nfs/dbraw/zinc/29/78/12/625297812.db2.gz UQCOUHLQDCDEPV-CQSZACIVSA-N -1 3 312.373 3.136 20 30 DGEDHM COc1ccc(C)cc1[C@@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000840712587 619015823 /nfs/dbraw/zinc/01/58/23/619015823.db2.gz ZXDGMECDQUOBFH-XGCXUPMPSA-N -1 3 314.385 3.085 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1nc2c(s1)COCC2 ZINC000899227578 619320002 /nfs/dbraw/zinc/32/00/02/619320002.db2.gz NVQGSVKRNYHVLC-OMCISZLKSA-N -1 3 308.790 3.194 20 30 DGEDHM COc1ccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1C ZINC000899230502 619320335 /nfs/dbraw/zinc/32/03/35/619320335.db2.gz IXDZQSDFCNLLCX-IDTCLIEOSA-N -1 3 314.385 3.085 20 30 DGEDHM CC[C@H](Nc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900095598 619404114 /nfs/dbraw/zinc/40/41/14/619404114.db2.gz GKIAVAQLPMMVFF-INIZCTEOSA-N -1 3 302.349 3.434 20 30 DGEDHM CN1CCCC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096755 619404434 /nfs/dbraw/zinc/40/44/34/619404434.db2.gz OITPROUJQSLEQZ-ZDUSSCGKSA-N -1 3 317.216 3.196 20 30 DGEDHM O=C(C[C@H]1CC[C@H](C2CC2)O1)N([O-])Cc1ccccc1Cl ZINC000900679023 619445033 /nfs/dbraw/zinc/44/50/33/619445033.db2.gz METAMBYQUFJIST-UKRRQHHQSA-N -1 3 309.793 3.406 20 30 DGEDHM O=C(N([O-])Cc1ccccc1Cl)[C@]12CCO[C@@H]1CCCC2 ZINC000900678067 619445119 /nfs/dbraw/zinc/44/51/19/619445119.db2.gz GGMCGRWYPSIKHB-GDBMZVCRSA-N -1 3 309.793 3.407 20 30 DGEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)C1CCCCC1 ZINC000900950972 619460747 /nfs/dbraw/zinc/46/07/47/619460747.db2.gz FMEADCWZMVHXGZ-OAHLLOKOSA-N -1 3 317.339 3.239 20 30 DGEDHM O=C([C@H]1CCc2cc(F)ccc21)N([O-])Cc1ccc(F)cc1 ZINC000901372423 619487237 /nfs/dbraw/zinc/48/72/37/619487237.db2.gz YTERPRJDFQNWOC-INIZCTEOSA-N -1 3 303.308 3.413 20 30 DGEDHM Cc1nn(C)c(C)c1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371712 619490471 /nfs/dbraw/zinc/49/04/71/619490471.db2.gz VQYGANSFKZZDQL-UHFFFAOYSA-N -1 3 309.369 3.222 20 30 DGEDHM COc1cccc(CC(=O)N([O-])Cc2ccc(F)cc2)c1Cl ZINC000901373041 619491495 /nfs/dbraw/zinc/49/14/95/619491495.db2.gz RVUOCLHVWQTOIQ-UHFFFAOYSA-N -1 3 323.751 3.448 20 30 DGEDHM O=C([C@@H]1Cc2ccccc2S1)N([O-])Cc1ccc(F)cc1 ZINC000901376692 619492400 /nfs/dbraw/zinc/49/24/00/619492400.db2.gz YJCBUSWLDYMNHU-HNNXBMFYSA-N -1 3 303.358 3.261 20 30 DGEDHM O=C(C[C@H]1CCOC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379970 619492743 /nfs/dbraw/zinc/49/27/43/619492743.db2.gz JPQXPZMGTXDQJB-SECBINFHSA-N -1 3 304.173 3.138 20 30 DGEDHM CCC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)COC1 ZINC000901378986 619492781 /nfs/dbraw/zinc/49/27/81/619492781.db2.gz STIXLPWRGGURJS-UHFFFAOYSA-N -1 3 304.173 3.138 20 30 DGEDHM COc1cc(/C=C/C(=O)c2cn(C(C)C)nn2)cc(Cl)c1[O-] ZINC000901522771 619510688 /nfs/dbraw/zinc/51/06/88/619510688.db2.gz ARCJTNXXVUUXNK-SNAWJCMRSA-N -1 3 321.764 3.123 20 30 DGEDHM C=CCC[C@H](NCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000901690546 619534105 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ZINC000904188674 619894550 /nfs/dbraw/zinc/89/45/50/619894550.db2.gz JCZFCBNHDXXIRG-UHFFFAOYSA-N -1 3 323.780 3.026 20 30 DGEDHM O=C(c1ccnc(C2CC2)n1)N([O-])Cc1ccccc1Cl ZINC000904188988 619894655 /nfs/dbraw/zinc/89/46/55/619894655.db2.gz VLVJUOXTNACTII-UHFFFAOYSA-N -1 3 303.749 3.039 20 30 DGEDHM C[C@@H]1CCn2cc(C(=O)N([O-])Cc3ccccc3Cl)nc2C1 ZINC000904192145 619895163 /nfs/dbraw/zinc/89/51/63/619895163.db2.gz BUOMSHWCRBKEMZ-LLVKDONJSA-N -1 3 319.792 3.150 20 30 DGEDHM O=C(c1cnc(C2CC2)nc1)N([O-])Cc1ccccc1Cl ZINC000904193691 619895594 /nfs/dbraw/zinc/89/55/94/619895594.db2.gz VAXXWOXGLLBOCQ-UHFFFAOYSA-N -1 3 303.749 3.039 20 30 DGEDHM CCn1nc(C)c(CC(=O)N([O-])Cc2ccccc2Cl)c1C ZINC000904193440 619895685 /nfs/dbraw/zinc/89/56/85/619895685.db2.gz OOUAPUNSSZUZHZ-UHFFFAOYSA-N -1 3 321.808 3.134 20 30 DGEDHM CC(C)c1nn(C)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904193018 619895742 /nfs/dbraw/zinc/89/57/42/619895742.db2.gz JBUORQIWXUPNOR-UHFFFAOYSA-N -1 3 307.781 3.229 20 30 DGEDHM 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[O-]c1c(O)ccc(C=Nc2ccc(Nc3ncccn3)cc2)c1O ZINC000766283902 622317209 /nfs/dbraw/zinc/31/72/09/622317209.db2.gz NCIRRJKHXRDPOA-UHFFFAOYSA-N -1 3 322.324 3.088 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1cn2c(n1)SCC2 ZINC000767337290 622390835 /nfs/dbraw/zinc/39/08/35/622390835.db2.gz ISNCRRXZRXTQKY-LZYBPNLTSA-N -1 3 307.806 3.009 20 30 DGEDHM CC(C)=CCCC(C)C=CN=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000769817617 622564211 /nfs/dbraw/zinc/56/42/11/622564211.db2.gz NLSRKVZJRBOMLN-LZVGRGQCSA-N -1 3 314.393 3.159 20 30 DGEDHM [O-]c1ccc(C=NNc2ccc(Br)c(F)c2)nc1 ZINC000769829114 622565688 /nfs/dbraw/zinc/56/56/88/622565688.db2.gz OBRZMOPWQQNNEX-UHFFFAOYSA-N -1 3 310.126 3.135 20 30 DGEDHM COc1ccc(CCC(=O)[N-]OCc2ccc(C)c(C#N)c2)cc1 ZINC000871798769 622702298 /nfs/dbraw/zinc/70/22/98/622702298.db2.gz SGBXSMIUSLAYDC-UHFFFAOYSA-N -1 3 324.380 3.056 20 30 DGEDHM FC(F)COCCCN=Nc1nc2ccccc2[n-]c1=S ZINC000872391714 622903112 /nfs/dbraw/zinc/90/31/12/622903112.db2.gz OIZOQFRBILFOJB-UHFFFAOYSA-N -1 3 312.345 3.362 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ncnn1-c1ccccc1 ZINC000775235234 623243601 /nfs/dbraw/zinc/24/36/01/623243601.db2.gz SJKULVXIIUNMPH-NVMNQCDNSA-N -1 3 312.760 3.245 20 30 DGEDHM N#Cc1cccc(COC(=O)c2cccc(Cl)c2[O-])c1F ZINC000775933147 623352861 /nfs/dbraw/zinc/35/28/61/623352861.db2.gz GZGNZAZPHMCUAE-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM COC(=O)N1CCC([C@H](C)/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000776722604 623455459 /nfs/dbraw/zinc/45/54/59/623455459.db2.gz UVSMYIKNEURUEF-TZQXVGBESA-N -1 3 324.808 3.331 20 30 DGEDHM Cc1cc2ccccc2[nH]c1=NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000776785455 623463544 /nfs/dbraw/zinc/46/35/44/623463544.db2.gz GGLSTVSBARJFOI-UHFFFAOYSA-N -1 3 318.336 3.017 20 30 DGEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])[C@H]1CCCOC1 ZINC000779707374 623788558 /nfs/dbraw/zinc/78/85/58/623788558.db2.gz MUSNZOYIECKOHJ-GZSWPZRASA-N -1 3 312.207 3.389 20 30 DGEDHM Cc1ccc2oc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cc2c1 ZINC000126334747 623791655 /nfs/dbraw/zinc/79/16/55/623791655.db2.gz 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Cc1csc([N-]C(=O)c2nc(C)n(-c3ccccc3)n2)c1C#N ZINC000809001096 626875306 /nfs/dbraw/zinc/87/53/06/626875306.db2.gz CRDVSARWHIEZBY-UHFFFAOYSA-N -1 3 323.381 3.070 20 30 DGEDHM C#CCN1CCC[C@H]1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810573851 627018928 /nfs/dbraw/zinc/01/89/28/627018928.db2.gz WOVDFSASWQDBFG-NSHDSACASA-N -1 3 322.817 3.137 20 30 DGEDHM C#CCN1CCC[C@@H]1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810573850 627019042 /nfs/dbraw/zinc/01/90/42/627019042.db2.gz WOVDFSASWQDBFG-LLVKDONJSA-N -1 3 322.817 3.137 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Cl)nc2Cl)c1 ZINC000811183947 627254247 /nfs/dbraw/zinc/25/42/47/627254247.db2.gz CGKIPZHUGXCDKX-UHFFFAOYSA-N -1 3 323.135 3.323 20 30 DGEDHM C[C@H]1C(N=Nc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000811629365 627296501 /nfs/dbraw/zinc/29/65/01/627296501.db2.gz YAEAUGGBACQSEH-AWEZNQCLSA-N -1 3 323.396 3.447 20 30 DGEDHM N#CC(=C([O-])C=CC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813217415 627468890 /nfs/dbraw/zinc/46/88/90/627468890.db2.gz 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/nfs/dbraw/zinc/18/39/33/628183933.db2.gz GQWDFDRIODNATB-HNNXBMFYSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819733873 628184151 /nfs/dbraw/zinc/18/41/51/628184151.db2.gz DJGPWHZHOZOHJG-UHFFFAOYSA-N -1 3 317.780 3.227 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819733873 628184153 /nfs/dbraw/zinc/18/41/53/628184153.db2.gz DJGPWHZHOZOHJG-UHFFFAOYSA-N -1 3 317.780 3.227 20 30 DGEDHM CC(C)(C#N)CCCn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819892163 628196942 /nfs/dbraw/zinc/19/69/42/628196942.db2.gz XHGVBEXVQIGEJI-UHFFFAOYSA-N -1 3 321.388 3.060 20 30 DGEDHM CC(C)(C#N)CCCn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819892163 628196943 /nfs/dbraw/zinc/19/69/43/628196943.db2.gz XHGVBEXVQIGEJI-UHFFFAOYSA-N -1 3 321.388 3.060 20 30 DGEDHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820455323 628261028 /nfs/dbraw/zinc/26/10/28/628261028.db2.gz GYIQZIQTXVXAGO-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820455323 628261029 /nfs/dbraw/zinc/26/10/29/628261029.db2.gz GYIQZIQTXVXAGO-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cccc(F)c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820462489 628261720 /nfs/dbraw/zinc/26/17/20/628261720.db2.gz XXYTXIZXEIZQRE-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cccc(F)c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820462489 628261721 /nfs/dbraw/zinc/26/17/21/628261721.db2.gz XXYTXIZXEIZQRE-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820577784 628273728 /nfs/dbraw/zinc/27/37/28/628273728.db2.gz VBWIMBHGJFBTPP-UKTHLTGXSA-N -1 3 322.393 3.486 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822225090 628430836 /nfs/dbraw/zinc/43/08/36/628430836.db2.gz NSHNHNSRWCXOKL-HJWRWDBZSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822225090 628430838 /nfs/dbraw/zinc/43/08/38/628430838.db2.gz NSHNHNSRWCXOKL-HJWRWDBZSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)C2 ZINC000822274635 628434959 /nfs/dbraw/zinc/43/49/59/628434959.db2.gz DDMGSMJYGQMVOZ-IZZDOVSWSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)C2 ZINC000822274635 628434961 /nfs/dbraw/zinc/43/49/61/628434961.db2.gz DDMGSMJYGQMVOZ-IZZDOVSWSA-N -1 3 308.366 3.059 20 30 DGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C#CC(C)C)c2)n1 ZINC000822405532 628448160 /nfs/dbraw/zinc/44/81/60/628448160.db2.gz TZEGVPPTJRNUMG-UHFFFAOYSA-N -1 3 309.369 3.010 20 30 DGEDHM N#Cc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822842792 628501155 /nfs/dbraw/zinc/50/11/55/628501155.db2.gz ZDJYXPQQRDBCCR-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2ccccc21 ZINC000823498290 628569105 /nfs/dbraw/zinc/56/91/05/628569105.db2.gz KKOLQFGQDHQUHK-XFFZJAGNSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2ccccc21 ZINC000823498290 628569108 /nfs/dbraw/zinc/56/91/08/628569108.db2.gz KKOLQFGQDHQUHK-XFFZJAGNSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823497922 628569206 /nfs/dbraw/zinc/56/92/06/628569206.db2.gz AUDCONYMXGVPNV-VMPITWQZSA-N -1 3 314.395 3.202 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823497922 628569208 /nfs/dbraw/zinc/56/92/08/628569208.db2.gz AUDCONYMXGVPNV-VMPITWQZSA-N -1 3 314.395 3.202 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823504021 628570294 /nfs/dbraw/zinc/57/02/94/628570294.db2.gz LEYDFZRHODYDEC-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823504021 628570296 /nfs/dbraw/zinc/57/02/96/628570296.db2.gz LEYDFZRHODYDEC-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM C#Cc1cccc(N(CC)Cc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000823862172 628604022 /nfs/dbraw/zinc/60/40/22/628604022.db2.gz ZLZKRVNOFBYIDG-UHFFFAOYSA-N -1 3 321.359 3.014 20 30 DGEDHM C#Cc1cccc(N(CC)Cc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000823862172 628604026 /nfs/dbraw/zinc/60/40/26/628604026.db2.gz ZLZKRVNOFBYIDG-UHFFFAOYSA-N -1 3 321.359 3.014 20 30 DGEDHM C=C(CC)CSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823883185 628606887 /nfs/dbraw/zinc/60/68/87/628606887.db2.gz KJHZXZZAUASIFS-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM CC(=NNc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823963240 628614055 /nfs/dbraw/zinc/61/40/55/628614055.db2.gz ZBRRGRGSAKURTF-UHFFFAOYSA-N -1 3 320.328 3.043 20 30 DGEDHM CC(=NNc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)s1 ZINC000823963240 628614056 /nfs/dbraw/zinc/61/40/56/628614056.db2.gz ZBRRGRGSAKURTF-UHFFFAOYSA-N -1 3 320.328 3.043 20 30 DGEDHM CC(=NNc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958343 628614105 /nfs/dbraw/zinc/61/41/05/628614105.db2.gz KGTALZBXAZAWRY-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC(=NNc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958343 628614106 /nfs/dbraw/zinc/61/41/06/628614106.db2.gz KGTALZBXAZAWRY-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1occc1C ZINC000823958647 628614209 /nfs/dbraw/zinc/61/42/09/628614209.db2.gz UPCDYAZRDSHHOL-UHFFFAOYSA-N -1 3 316.752 3.258 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1occc1C ZINC000823958647 628614210 /nfs/dbraw/zinc/61/42/10/628614210.db2.gz UPCDYAZRDSHHOL-UHFFFAOYSA-N -1 3 316.752 3.258 20 30 DGEDHM CC1(C)CCC[C@@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801992 628695111 /nfs/dbraw/zinc/69/51/11/628695111.db2.gz JBLRFUYVEOSRFN-CQSZACIVSA-N -1 3 312.421 3.159 20 30 DGEDHM CC1(C)CCC[C@@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801992 628695115 /nfs/dbraw/zinc/69/51/15/628695115.db2.gz JBLRFUYVEOSRFN-CQSZACIVSA-N -1 3 312.421 3.159 20 30 DGEDHM CC1(C)CCC[C@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801991 628695349 /nfs/dbraw/zinc/69/53/49/628695349.db2.gz JBLRFUYVEOSRFN-AWEZNQCLSA-N -1 3 312.421 3.159 20 30 DGEDHM CC1(C)CCC[C@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801991 628695352 /nfs/dbraw/zinc/69/53/52/628695352.db2.gz JBLRFUYVEOSRFN-AWEZNQCLSA-N -1 3 312.421 3.159 20 30 DGEDHM C[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@@H](C)C1 ZINC000824859560 628701151 /nfs/dbraw/zinc/70/11/51/628701151.db2.gz QLSOZBIWJJBJFY-DTORHVGOSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@@H](C)C1 ZINC000824859560 628701156 /nfs/dbraw/zinc/70/11/56/628701156.db2.gz QLSOZBIWJJBJFY-DTORHVGOSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1C[C@@H](C)CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824900290 628703504 /nfs/dbraw/zinc/70/35/04/628703504.db2.gz UMGJSGYJXCSXNH-DTWKUNHWSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1C[C@@H](C)CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824900290 628703509 /nfs/dbraw/zinc/70/35/09/628703509.db2.gz UMGJSGYJXCSXNH-DTWKUNHWSA-N -1 3 319.800 3.139 20 30 DGEDHM CC[C@@H]1CCC[C@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825195371 628736639 /nfs/dbraw/zinc/73/66/39/628736639.db2.gz WTRYNXVURXIYIF-HIFRSBDPSA-N -1 3 312.421 3.159 20 30 DGEDHM CC[C@@H]1CCC[C@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825195371 628736642 /nfs/dbraw/zinc/73/66/42/628736642.db2.gz WTRYNXVURXIYIF-HIFRSBDPSA-N -1 3 312.421 3.159 20 30 DGEDHM C[C@H](NC(=O)[O-])c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000825401329 628757901 /nfs/dbraw/zinc/75/79/01/628757901.db2.gz CDCOTYYVBIPIPE-ZDUSSCGKSA-N -1 3 309.369 3.177 20 30 DGEDHM C[C@H](NC(=O)[O-])c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000825402848 628758101 /nfs/dbraw/zinc/75/81/01/628758101.db2.gz QRTXSMCZOGPWDD-NSHDSACASA-N -1 3 315.398 3.238 20 30 DGEDHM COc1cc(C#N)ccc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000826177236 628831200 /nfs/dbraw/zinc/83/12/00/628831200.db2.gz YUVGYBDQXYOEFX-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1cc(C#N)ccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000826177236 628831204 /nfs/dbraw/zinc/83/12/04/628831204.db2.gz YUVGYBDQXYOEFX-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1cc(C#N)ccc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826176836 628831370 /nfs/dbraw/zinc/83/13/70/628831370.db2.gz GVJIPWJLCIGQKH-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1cc(C#N)ccc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826176836 628831373 /nfs/dbraw/zinc/83/13/73/628831373.db2.gz GVJIPWJLCIGQKH-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826281284 628837328 /nfs/dbraw/zinc/83/73/28/628837328.db2.gz LNRCXZLVMUCZJX-WEVVVXLNSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826281284 628837331 /nfs/dbraw/zinc/83/73/31/628837331.db2.gz LNRCXZLVMUCZJX-WEVVVXLNSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)cc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826289818 628839660 /nfs/dbraw/zinc/83/96/60/628839660.db2.gz OMLFUMGADFBZRM-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)cc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826289818 628839663 /nfs/dbraw/zinc/83/96/63/628839663.db2.gz OMLFUMGADFBZRM-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826297213 628842486 /nfs/dbraw/zinc/84/24/86/628842486.db2.gz YXMCYHUMJUMNNL-MDZDMXLPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826297213 628842491 /nfs/dbraw/zinc/84/24/91/628842491.db2.gz YXMCYHUMJUMNNL-MDZDMXLPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826306976 628843737 /nfs/dbraw/zinc/84/37/37/628843737.db2.gz RXHAWWLALSPAPR-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826306976 628843738 /nfs/dbraw/zinc/84/37/38/628843738.db2.gz RXHAWWLALSPAPR-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Clc1cc(N=NC=CCc2ccco2)ccc1-c1nnn[n-]1 ZINC000826351328 628845660 /nfs/dbraw/zinc/84/56/60/628845660.db2.gz IKMADOATSAQUMM-SIISZUACSA-N -1 3 314.736 3.224 20 30 DGEDHM Clc1cc(N=NC=CCc2ccco2)ccc1-c1nn[n-]n1 ZINC000826351328 628845664 /nfs/dbraw/zinc/84/56/64/628845664.db2.gz IKMADOATSAQUMM-SIISZUACSA-N -1 3 314.736 3.224 20 30 DGEDHM Fc1ccc(Cl)cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826374582 628849228 /nfs/dbraw/zinc/84/92/28/628849228.db2.gz FCJYFSPUTJUNLP-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1ccc(Cl)cc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826374582 628849232 /nfs/dbraw/zinc/84/92/32/628849232.db2.gz FCJYFSPUTJUNLP-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1ccc(CC=CN=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826374384 628849460 /nfs/dbraw/zinc/84/94/60/628849460.db2.gz XEUUVFFFMKSKSO-QNVPNRMSSA-N -1 3 308.320 3.117 20 30 DGEDHM Fc1ccc(CC=CN=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826374384 628849462 /nfs/dbraw/zinc/84/94/62/628849462.db2.gz XEUUVFFFMKSKSO-QNVPNRMSSA-N -1 3 308.320 3.117 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(F)c1F ZINC000826399601 628850050 /nfs/dbraw/zinc/85/00/50/628850050.db2.gz ADQQXZJOZOMQPH-SNAWJCMRSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(F)c1F ZINC000826399601 628850052 /nfs/dbraw/zinc/85/00/52/628850052.db2.gz ADQQXZJOZOMQPH-SNAWJCMRSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000826399650 628850322 /nfs/dbraw/zinc/85/03/22/628850322.db2.gz BHQOIKYNIRVMHN-TWGQIWQCSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000826399650 628850325 /nfs/dbraw/zinc/85/03/25/628850325.db2.gz BHQOIKYNIRVMHN-TWGQIWQCSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(F)c1F ZINC000826400067 628851272 /nfs/dbraw/zinc/85/12/72/628851272.db2.gz OAUFFRHYHBYXHR-XQRVVYSFSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000826401797 628851651 /nfs/dbraw/zinc/85/16/51/628851651.db2.gz HCQBGHGAMIEONE-MDZDMXLPSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000826401797 628851652 /nfs/dbraw/zinc/85/16/52/628851652.db2.gz HCQBGHGAMIEONE-MDZDMXLPSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475873 628852236 /nfs/dbraw/zinc/85/22/36/628852236.db2.gz UJKXXMFDDOPNHJ-NTEUORMPSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475873 628852240 /nfs/dbraw/zinc/85/22/40/628852240.db2.gz UJKXXMFDDOPNHJ-NTEUORMPSA-N -1 3 320.327 3.218 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000828019272 629015172 /nfs/dbraw/zinc/01/51/72/629015172.db2.gz SPSPFUCHOYTPPE-LRDDRELGSA-N -1 3 322.355 3.376 20 30 DGEDHM CCOCc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830022105 629218212 /nfs/dbraw/zinc/21/82/12/629218212.db2.gz QHDKBJYAGZWXLK-GOSISDBHSA-N -1 3 324.380 3.010 20 30 DGEDHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832225950 629452934 /nfs/dbraw/zinc/45/29/34/629452934.db2.gz FBNUAIHDGVQQTM-SJKOYZFVSA-N -1 3 310.353 3.043 20 30 DGEDHM N#Cc1cccc([C@@H](NCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000833074542 629555282 /nfs/dbraw/zinc/55/52/82/629555282.db2.gz AEWUTFGXKVQSSR-OAHLLOKOSA-N -1 3 300.745 3.127 20 30 DGEDHM C[C@@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000833541773 629618023 /nfs/dbraw/zinc/61/80/23/629618023.db2.gz SXIBGRKISBSDMU-KGLIPLIRSA-N -1 3 324.380 3.261 20 30 DGEDHM COCC[C@@H](C)C/N=C/c1cc(Br)ccc1[O-] ZINC000840711809 630350561 /nfs/dbraw/zinc/35/05/61/630350561.db2.gz SNCKDWYVBQIAHW-KXUVPBGPSA-N -1 3 300.196 3.246 20 30 DGEDHM CCO[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@H]1n1cccn1 ZINC000840707261 630350353 /nfs/dbraw/zinc/35/03/53/630350353.db2.gz UHNDQQGIFNEYQO-IVIMJNQNSA-N -1 3 319.792 3.080 20 30 DGEDHM CC(C)(C)CC(=O)[N-]OCc1cc(Cl)ccc1OCC#N ZINC000842063991 630486046 /nfs/dbraw/zinc/48/60/46/630486046.db2.gz VHOCSCGBVZLMEC-UHFFFAOYSA-N -1 3 310.781 3.226 20 30 DGEDHM C[C@@H]1SCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000843262936 630638493 /nfs/dbraw/zinc/63/84/93/630638493.db2.gz GIBUKCXNGFQPSD-AGJKLZBESA-N -1 3 300.221 3.468 20 30 DGEDHM C=CC[C@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843855030 630702070 /nfs/dbraw/zinc/70/20/70/630702070.db2.gz ULROKZQPJAVUKI-MRVPVSSYSA-N -1 3 324.154 3.138 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1ccccc1F ZINC000845839048 631198422 /nfs/dbraw/zinc/19/84/22/631198422.db2.gz ZTOOFHBGFXZSOK-INIZCTEOSA-N -1 3 321.351 3.378 20 30 DGEDHM N#CC(C(=O)CCC(F)(F)F)=C([O-])C1(c2ccccc2)CC1 ZINC000845840793 631198624 /nfs/dbraw/zinc/19/86/24/631198624.db2.gz FRTNSSCYSREMRZ-LBPRGKRZSA-N -1 3 309.287 3.339 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(F)(F)F ZINC000845840793 631198625 /nfs/dbraw/zinc/19/86/25/631198625.db2.gz FRTNSSCYSREMRZ-LBPRGKRZSA-N -1 3 309.287 3.339 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CCC(F)(F)C1 ZINC000845845222 631198961 /nfs/dbraw/zinc/19/89/61/631198961.db2.gz MWPMLMBEWXTEKQ-GXTWGEPZSA-N -1 3 317.335 3.432 20 30 DGEDHM C=CC[C@@H]1CC[C@@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1 ZINC000846159010 631212718 /nfs/dbraw/zinc/21/27/18/631212718.db2.gz HBNYSHADBOYAKD-CHWSQXEVSA-N -1 3 324.446 3.223 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000846553551 631259991 /nfs/dbraw/zinc/25/99/91/631259991.db2.gz DFLWAYRPNNSULA-CZUORRHYSA-N -1 3 305.418 3.420 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000846553550 631260344 /nfs/dbraw/zinc/26/03/44/631260344.db2.gz DFLWAYRPNNSULA-CJNGLKHVSA-N -1 3 305.418 3.420 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)C2CCC(F)(F)CC2)c1[O-] ZINC000846757113 631296743 /nfs/dbraw/zinc/29/67/43/631296743.db2.gz SPBLRGYLEHXASW-AUXCUJNGSA-N -1 3 312.360 3.221 20 30 DGEDHM C#CC[C@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000849344518 631897514 /nfs/dbraw/zinc/89/75/14/631897514.db2.gz NXMZAQSBADJBQO-NHYWBVRUSA-N -1 3 309.768 3.340 20 30 DGEDHM C[C@@H](NCC1(C#N)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850552222 632190302 /nfs/dbraw/zinc/19/03/02/632190302.db2.gz YOHTVQNBPPPDOV-GFCCVEGCSA-N -1 3 303.362 3.425 20 30 DGEDHM C[C@H](C#N)CNCc1cc(Cl)cc(Br)c1[O-] ZINC000708156932 660918559 /nfs/dbraw/zinc/91/85/59/660918559.db2.gz KQPVGUBGAPKVOT-SSDOTTSWSA-N -1 3 303.587 3.057 20 30 DGEDHM O=C(C=Cc1c(F)ccc([O-])c1F)c1ccc2[nH]c(=O)oc2c1 ZINC000794714272 661100839 /nfs/dbraw/zinc/10/08/39/661100839.db2.gz IEEYJLLZIQTBEJ-GORDUTHDSA-N -1 3 317.247 3.413 20 30 DGEDHM O=C1c2ccc(F)cc2OC/C1=C\c1c(F)ccc([O-])c1F ZINC000794729223 661102539 /nfs/dbraw/zinc/10/25/39/661102539.db2.gz ZNPQNTIVJJGGGS-VMPITWQZSA-N -1 3 306.239 3.468 20 30 DGEDHM CCOC(=O)c1scnc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000794934707 661114685 /nfs/dbraw/zinc/11/46/85/661114685.db2.gz MOHRRYMLIBUUFF-ALCCZGGFSA-N -1 3 317.366 3.230 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cccc(O)c2)c(OC)cc1[O-] ZINC000255068870 655591221 /nfs/dbraw/zinc/59/12/21/655591221.db2.gz WEMXHAHUKHTKPY-SREVYHEPSA-N -1 3 300.310 3.011 20 30 DGEDHM N#Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)c(C2CC2)c1 ZINC000933846136 655735773 /nfs/dbraw/zinc/73/57/73/655735773.db2.gz BZNATFILDBPBQS-OAHLLOKOSA-N -1 3 301.346 3.015 20 30 DGEDHM N#Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c(C2CC2)c1 ZINC000933846136 655735774 /nfs/dbraw/zinc/73/57/74/655735774.db2.gz BZNATFILDBPBQS-OAHLLOKOSA-N -1 3 301.346 3.015 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cccnc2Cl)c(OC)cc1[O-] ZINC000255843011 655911056 /nfs/dbraw/zinc/91/10/56/655911056.db2.gz KXVACULSANPOAT-WAYWQWQTSA-N -1 3 319.744 3.354 20 30 DGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2o1 ZINC000811187127 661231261 /nfs/dbraw/zinc/23/12/61/661231261.db2.gz KPVHGYXAHGJMIT-JTQLQIEISA-N -1 3 308.293 3.323 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc3ncccc3c2)c1 ZINC000811188108 661231309 /nfs/dbraw/zinc/23/13/09/661231309.db2.gz VXLBJQYGCUQNIZ-UHFFFAOYSA-N -1 3 304.305 3.169 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cccc(F)c2Cl)c1 ZINC000811187717 661231381 /nfs/dbraw/zinc/23/13/81/661231381.db2.gz MRXRKTXVHOYZHI-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM C=C(Cl)CN1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000968756511 657481311 /nfs/dbraw/zinc/48/13/11/657481311.db2.gz VLWMXIDYUQNXMH-AWEZNQCLSA-N -1 3 322.836 3.119 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)COc1ccc(F)cc1 ZINC000098161522 657972340 /nfs/dbraw/zinc/97/23/40/657972340.db2.gz DZBDXSRSBWAISS-HFTHVURISA-N -1 3 323.751 3.044 20 30 DGEDHM N#Cc1ccc(CN(Cc2cccc(C(=O)[O-])c2)C2CC2)cc1 ZINC000263405968 658225270 /nfs/dbraw/zinc/22/52/70/658225270.db2.gz JTBIEBZCGQJDGZ-UHFFFAOYSA-N -1 3 306.365 3.421 20 30 DGEDHM C#Cc1cccc(NC(=O)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000054893043 658898820 /nfs/dbraw/zinc/89/88/20/658898820.db2.gz OLRALEWVVCLANF-VXLYETTFSA-N -1 3 312.756 3.085 20 30 DGEDHM COc1ccc(OC)c(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000068762233 659964578 /nfs/dbraw/zinc/96/45/78/659964578.db2.gz MXDQKKLAGOQIFT-FNORWQNLSA-N -1 3 314.337 3.314 20 30 DGEDHM CCCCCCC[C@H](C)CNc1nnccc1-c1nnn[n-]1 ZINC001577505198 1191905649 /nfs/dbraw/zinc/90/56/49/1191905649.db2.gz HRJIAKAYUMZCES-LBPRGKRZSA-N -1 3 303.414 3.065 20 30 DGEDHM CCCCCCC[C@H](C)CNc1nnccc1-c1nn[n-]n1 ZINC001577505198 1191905653 /nfs/dbraw/zinc/90/56/53/1191905653.db2.gz HRJIAKAYUMZCES-LBPRGKRZSA-N -1 3 303.414 3.065 20 30 DGEDHM CCCCCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001577506473 1191905713 /nfs/dbraw/zinc/90/57/13/1191905713.db2.gz WLEAGBSXBDJAOB-UHFFFAOYSA-N -1 3 316.409 3.259 20 30 DGEDHM CCCCCCCCC(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001577506473 1191905722 /nfs/dbraw/zinc/90/57/22/1191905722.db2.gz WLEAGBSXBDJAOB-UHFFFAOYSA-N -1 3 316.409 3.259 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCCCCCNC(=O)OC(C)(C)C ZINC001583409271 1192145539 /nfs/dbraw/zinc/14/55/39/1192145539.db2.gz XXZYFAAWZDUERM-CYBMUJFWSA-N -1 3 314.426 3.084 20 30 DGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccccc1 ZINC001584694714 1192213522 /nfs/dbraw/zinc/21/35/22/1192213522.db2.gz ZREZTSBNSUDEPM-OAHLLOKOSA-N -1 3 303.283 3.408 20 30 DGEDHM C#CC[C@H](Cc1ccccc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588333821 1192444984 /nfs/dbraw/zinc/44/49/84/1192444984.db2.gz FLEWKFRTPKAXTE-OAHLLOKOSA-N -1 3 321.359 3.052 20 30 DGEDHM C#CC[C@H](Cc1ccccc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588333821 1192444987 /nfs/dbraw/zinc/44/49/87/1192444987.db2.gz FLEWKFRTPKAXTE-OAHLLOKOSA-N -1 3 321.359 3.052 20 30 DGEDHM C#C[C@@H](Nc1nc(C)c(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC001588328696 1192445260 /nfs/dbraw/zinc/44/52/60/1192445260.db2.gz NUGREGZSJMLGAY-CQSZACIVSA-N -1 3 324.775 3.010 20 30 DGEDHM C#C[C@@H](Nc1nc(C)c(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC001588328696 1192445262 /nfs/dbraw/zinc/44/52/62/1192445262.db2.gz NUGREGZSJMLGAY-CQSZACIVSA-N -1 3 324.775 3.010 20 30 DGEDHM C=C(C)CCC(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001588409927 1192446324 /nfs/dbraw/zinc/44/63/24/1192446324.db2.gz JOBBKHKVCUYKRX-UHFFFAOYSA-N -1 3 311.389 3.109 20 30 DGEDHM C=C(C)CCC(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001588409927 1192446325 /nfs/dbraw/zinc/44/63/25/1192446325.db2.gz JOBBKHKVCUYKRX-UHFFFAOYSA-N -1 3 311.389 3.109 20 30 DGEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC001588381709 1192446358 /nfs/dbraw/zinc/44/63/58/1192446358.db2.gz QGUJKACSDQWDKS-UHFFFAOYSA-N -1 3 304.313 3.059 20 30 DGEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC001588381709 1192446361 /nfs/dbraw/zinc/44/63/61/1192446361.db2.gz QGUJKACSDQWDKS-UHFFFAOYSA-N -1 3 304.313 3.059 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001588402071 1192446807 /nfs/dbraw/zinc/44/68/07/1192446807.db2.gz CAWTWTNMSKIEOE-UHFFFAOYSA-N -1 3 305.407 3.086 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001588402071 1192446810 /nfs/dbraw/zinc/44/68/10/1192446810.db2.gz CAWTWTNMSKIEOE-UHFFFAOYSA-N -1 3 305.407 3.086 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC001588539307 1192449520 /nfs/dbraw/zinc/44/95/20/1192449520.db2.gz GEEUJUKBOLGOHO-UHFFFAOYSA-N -1 3 319.434 3.340 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC001588539307 1192449525 /nfs/dbraw/zinc/44/95/25/1192449525.db2.gz GEEUJUKBOLGOHO-UHFFFAOYSA-N -1 3 319.434 3.340 20 30 DGEDHM CC(C)(C#N)CCCSCCc1ccc(-c2nnn[n-]2)cc1 ZINC001589034144 1192456251 /nfs/dbraw/zinc/45/62/51/1192456251.db2.gz RYQZONUIJZLCOK-UHFFFAOYSA-N -1 3 315.446 3.472 20 30 DGEDHM CC(C)(C#N)CCCSCCc1ccc(-c2nn[n-]n2)cc1 ZINC001589034144 1192456252 /nfs/dbraw/zinc/45/62/52/1192456252.db2.gz RYQZONUIJZLCOK-UHFFFAOYSA-N -1 3 315.446 3.472 20 30 DGEDHM CC(C)Oc1ccc(NC[C@H](C)CCC#N)cc1-c1nnn[n-]1 ZINC001589804217 1192474617 /nfs/dbraw/zinc/47/46/17/1192474617.db2.gz XWYVTYSEXYDBON-GFCCVEGCSA-N -1 3 314.393 3.006 20 30 DGEDHM CC(C)Oc1ccc(NC[C@H](C)CCC#N)cc1-c1nn[n-]n1 ZINC001589804217 1192474621 /nfs/dbraw/zinc/47/46/21/1192474621.db2.gz XWYVTYSEXYDBON-GFCCVEGCSA-N -1 3 314.393 3.006 20 30 DGEDHM C[C@@H]1CCCC[C@H]1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590250555 1192498285 /nfs/dbraw/zinc/49/82/85/1192498285.db2.gz FPSNOECYPJXXMG-OLZOCXBDSA-N -1 3 310.405 3.367 20 30 DGEDHM C[C@@H]1CCCC[C@H]1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590250555 1192498289 /nfs/dbraw/zinc/49/82/89/1192498289.db2.gz FPSNOECYPJXXMG-OLZOCXBDSA-N -1 3 310.405 3.367 20 30 DGEDHM CCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590842722 1192548693 /nfs/dbraw/zinc/54/86/93/1192548693.db2.gz JIOLJFBTRWEMPW-VAWYXSNFSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590842722 1192548723 /nfs/dbraw/zinc/54/87/23/1192548723.db2.gz JIOLJFBTRWEMPW-VAWYXSNFSA-N -1 3 320.352 3.162 20 30 DGEDHM CCc1cccc(C)c1NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001590895028 1192554891 /nfs/dbraw/zinc/55/48/91/1192554891.db2.gz ZVHOPGVGBRNLDL-UHFFFAOYSA-N -1 3 324.363 3.323 20 30 DGEDHM CCc1cccc(C)c1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001590895028 1192554895 /nfs/dbraw/zinc/55/48/95/1192554895.db2.gz ZVHOPGVGBRNLDL-UHFFFAOYSA-N -1 3 324.363 3.323 20 30 DGEDHM Cc1cc(C=C2CCc3ccccc3C2=O)ccc1-c1nnn[n-]1 ZINC001591960033 1192582933 /nfs/dbraw/zinc/58/29/33/1192582933.db2.gz YJWCDDBBGSPIJW-PTNGSMBKSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1cc(C=C2CCc3ccccc3C2=O)ccc1-c1nn[n-]n1 ZINC001591960033 1192582935 /nfs/dbraw/zinc/58/29/35/1192582935.db2.gz YJWCDDBBGSPIJW-PTNGSMBKSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc2c(c1)CC[C@H]2Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592201250 1192601340 /nfs/dbraw/zinc/60/13/40/1192601340.db2.gz PRQXQWGBIHRTCL-MRXNPFEDSA-N -1 3 316.368 3.146 20 30 DGEDHM Cc1ccc2c(c1)CC[C@H]2Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592201250 1192601342 /nfs/dbraw/zinc/60/13/42/1192601342.db2.gz PRQXQWGBIHRTCL-MRXNPFEDSA-N -1 3 316.368 3.146 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC001592791901 1192627198 /nfs/dbraw/zinc/62/71/98/1192627198.db2.gz REWONAZQQVTRQQ-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC001592791901 1192627201 /nfs/dbraw/zinc/62/72/01/1192627201.db2.gz REWONAZQQVTRQQ-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592792425 1192627579 /nfs/dbraw/zinc/62/75/79/1192627579.db2.gz PHLPJONZFIVGLO-WAPJZHGLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592792425 1192627583 /nfs/dbraw/zinc/62/75/83/1192627583.db2.gz PHLPJONZFIVGLO-WAPJZHGLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC001592791217 1192627841 /nfs/dbraw/zinc/62/78/41/1192627841.db2.gz DZUAAUPDJOTGFE-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC001592791217 1192627843 /nfs/dbraw/zinc/62/78/43/1192627843.db2.gz DZUAAUPDJOTGFE-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM c1cc(N=NC2CCCC23CCCCC3)ncc1-c1nnn[n-]1 ZINC001593561742 1192634909 /nfs/dbraw/zinc/63/49/09/1192634909.db2.gz VVVFFDDTXJICCS-UHFFFAOYSA-N -1 3 311.393 3.164 20 30 DGEDHM c1cc(N=NC2CCCC23CCCCC3)ncc1-c1nn[n-]n1 ZINC001593561742 1192634910 /nfs/dbraw/zinc/63/49/10/1192634910.db2.gz VVVFFDDTXJICCS-UHFFFAOYSA-N -1 3 311.393 3.164 20 30 DGEDHM C#Cc1cccc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)c1 ZINC001597407996 1192731773 /nfs/dbraw/zinc/73/17/73/1192731773.db2.gz JWXUZUMBCLZTSK-UHFFFAOYSA-N -1 3 321.273 3.354 20 30 DGEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)CC1 ZINC001671400143 1177550196 /nfs/dbraw/zinc/55/01/96/1177550196.db2.gz GJBMMIKBFZJHFO-UHFFFAOYSA-N -1 3 315.385 3.298 20 30 DGEDHM Cn1cc(C=NNc2nc3ccccc3[n-]c2=S)c(C2CC2)n1 ZINC001334709499 1178784291 /nfs/dbraw/zinc/78/42/91/1178784291.db2.gz CBONAAGJFDOAGF-UHFFFAOYSA-N -1 3 324.413 3.349 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1C1CCCC1 ZINC001341904201 1179078866 /nfs/dbraw/zinc/07/88/66/1179078866.db2.gz PZCXQVYMDAZBOV-OAHLLOKOSA-N -1 3 323.400 3.204 20 30 DGEDHM O=C([O-])[C@]12CCC[C@H]1N(CC#Cc1ccccc1Cl)CC2 ZINC001602223049 1192963710 /nfs/dbraw/zinc/96/37/10/1192963710.db2.gz OCNDYMNQYXKJRJ-WBVHZDCISA-N -1 3 303.789 3.021 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(C(F)(F)F)s1 ZINC001346095889 1179653463 /nfs/dbraw/zinc/65/34/63/1179653463.db2.gz LDADIIVWFLPRFP-MRVPVSSYSA-N -1 3 313.304 3.473 20 30 DGEDHM C#CC[C@H](Cc1ccccc1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602698017 1192994396 /nfs/dbraw/zinc/99/43/96/1192994396.db2.gz XNDMGALRDVOYSQ-CQSZACIVSA-N -1 3 321.359 3.052 20 30 DGEDHM C#CC[C@H](Cc1ccccc1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602698017 1192994400 /nfs/dbraw/zinc/99/44/00/1192994400.db2.gz XNDMGALRDVOYSQ-CQSZACIVSA-N -1 3 321.359 3.052 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602753192 1192996132 /nfs/dbraw/zinc/99/61/32/1192996132.db2.gz MYLXZPZHAAANQU-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602753192 1192996134 /nfs/dbraw/zinc/99/61/34/1192996134.db2.gz MYLXZPZHAAANQU-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@](C)(CC)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602794162 1192997875 /nfs/dbraw/zinc/99/78/75/1192997875.db2.gz JICSNYBSPRFOLY-OAHLLOKOSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C[C@](C)(CC)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602794162 1192997878 /nfs/dbraw/zinc/99/78/78/1192997878.db2.gz JICSNYBSPRFOLY-OAHLLOKOSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602795944 1192997976 /nfs/dbraw/zinc/99/79/76/1192997976.db2.gz XFMVJJYZLSDELE-ZBEGNZNMSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602795944 1192997977 /nfs/dbraw/zinc/99/79/77/1192997977.db2.gz XFMVJJYZLSDELE-ZBEGNZNMSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@H](CC)CC(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001602802950 1192998120 /nfs/dbraw/zinc/99/81/20/1192998120.db2.gz DYZSYXGZZSNJHL-CYBMUJFWSA-N -1 3 314.389 3.300 20 30 DGEDHM C=CCC1(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001602818372 1192998708 /nfs/dbraw/zinc/99/87/08/1192998708.db2.gz OYHBGLFTPMAYQJ-GFCCVEGCSA-N -1 3 312.373 3.217 20 30 DGEDHM C=CCC1(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001602818372 1192998711 /nfs/dbraw/zinc/99/87/11/1192998711.db2.gz OYHBGLFTPMAYQJ-GFCCVEGCSA-N -1 3 312.373 3.217 20 30 DGEDHM CC(=NN[C@H](C)C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001602906363 1193002155 /nfs/dbraw/zinc/00/21/55/1193002155.db2.gz MGIXVQXJQCASRA-SNVBAGLBSA-N -1 3 320.828 3.268 20 30 DGEDHM CC(=NN[C@H](C)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602906363 1193002156 /nfs/dbraw/zinc/00/21/56/1193002156.db2.gz MGIXVQXJQCASRA-SNVBAGLBSA-N -1 3 320.828 3.268 20 30 DGEDHM C[C@@H](c1cccc(C#N)c1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001603735363 1193028400 /nfs/dbraw/zinc/02/84/00/1193028400.db2.gz QNAIHTQBQYLZBH-NSHDSACASA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@@H](c1cccc(C#N)c1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001603735363 1193028404 /nfs/dbraw/zinc/02/84/04/1193028404.db2.gz QNAIHTQBQYLZBH-NSHDSACASA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC001603826780 1193033757 /nfs/dbraw/zinc/03/37/57/1193033757.db2.gz MMFAEPBBWLQZFT-PGEKAQRJSA-N -1 3 308.366 3.312 20 30 DGEDHM CCC[C@]1(C)CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001604154016 1193057015 /nfs/dbraw/zinc/05/70/15/1193057015.db2.gz RAPGYESFNIRRST-QGZVFWFLSA-N -1 3 310.405 3.145 20 30 DGEDHM CCC[C@]1(C)CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001604154016 1193057018 /nfs/dbraw/zinc/05/70/18/1193057018.db2.gz RAPGYESFNIRRST-QGZVFWFLSA-N -1 3 310.405 3.145 20 30 DGEDHM CCOc1ccc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001604462553 1193073409 /nfs/dbraw/zinc/07/34/09/1193073409.db2.gz FACPHMVXDVASJB-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CCOc1ccc(NN=C(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001604462553 1193073411 /nfs/dbraw/zinc/07/34/11/1193073411.db2.gz FACPHMVXDVASJB-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1CC#Cc1cccc(Cl)c1 ZINC001604653919 1193086417 /nfs/dbraw/zinc/08/64/17/1193086417.db2.gz CFRODHHJNIRJHL-AGGWBTHJSA-N -1 3 305.805 3.265 20 30 DGEDHM CC(C)(C)c1nsc([N-]C(=O)c2ccc(C#N)cc2F)n1 ZINC001357898042 1181435337 /nfs/dbraw/zinc/43/53/37/1181435337.db2.gz CUYORWASHBBQTM-UHFFFAOYSA-N -1 3 304.350 3.099 20 30 DGEDHM COc1cc(C)ccc1C(C)=NNc1cccc(-c2nnn[n-]2)c1 ZINC001605202896 1193127410 /nfs/dbraw/zinc/12/74/10/1193127410.db2.gz GXXZABPDCQSXSP-UHFFFAOYSA-N -1 3 322.372 3.020 20 30 DGEDHM COc1cc(C)ccc1C(C)=NNc1cccc(-c2nn[n-]n2)c1 ZINC001605202896 1193127415 /nfs/dbraw/zinc/12/74/15/1193127415.db2.gz GXXZABPDCQSXSP-UHFFFAOYSA-N -1 3 322.372 3.020 20 30 DGEDHM C=CCC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)OCC ZINC001449695304 1182232364 /nfs/dbraw/zinc/23/23/64/1182232364.db2.gz LYRXHBXNNCKRNJ-OAHLLOKOSA-N -1 3 319.401 3.143 20 30 DGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001451322969 1182267337 /nfs/dbraw/zinc/26/73/37/1182267337.db2.gz CSJBQELUMZRTSG-AWEZNQCLSA-N -1 3 324.359 3.014 20 30 DGEDHM Cc1ccc2[n-]cc(C(=O)Nc3cc(C)cc(C#N)c3)c(=O)c2c1 ZINC001457860216 1182483321 /nfs/dbraw/zinc/48/33/21/1182483321.db2.gz ITQQOMJQMCLIPC-UHFFFAOYSA-N -1 3 317.348 3.269 20 30 DGEDHM CC(=O)[C@@H]1C[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1(C)C ZINC001457992787 1182489262 /nfs/dbraw/zinc/48/92/62/1182489262.db2.gz LCIWXNWKFQKYLL-QWHCGFSZSA-N -1 3 309.793 3.309 20 30 DGEDHM O=C(c1cnc2cc[nH]c2c1)N([O-])Cc1ccccc1Cl ZINC001457992805 1182489294 /nfs/dbraw/zinc/48/92/94/1182489294.db2.gz LFJORVZELVUOBV-UHFFFAOYSA-N -1 3 301.733 3.248 20 30 DGEDHM C[C@@H](CSC(F)(F)F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001458016289 1182489723 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Cc1ccc2c(c1)CC(=Cc1ccc(-c3nnn[n-]3)c(C)c1)C2=O ZINC001605887178 1193182411 /nfs/dbraw/zinc/18/24/11/1193182411.db2.gz BKPZZWZKOUODGU-OQLLNIDSSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nn[n-]n3)c(C)c1)C2=O ZINC001605887178 1193182415 /nfs/dbraw/zinc/18/24/15/1193182415.db2.gz BKPZZWZKOUODGU-OQLLNIDSSA-N -1 3 316.364 3.306 20 30 DGEDHM N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc([O-])c(F)c1F ZINC001462201209 1182922633 /nfs/dbraw/zinc/92/26/33/1182922633.db2.gz OLKCXOPKQLNLCV-AWEZNQCLSA-N -1 3 300.308 3.319 20 30 DGEDHM O=C1c2ccccc2CCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001607036788 1193210470 /nfs/dbraw/zinc/21/04/70/1193210470.db2.gz MYNFVAVCVWHTGU-FOWTUZBSSA-N -1 3 316.364 3.469 20 30 DGEDHM O=C1c2ccccc2CCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001607036788 1193210474 /nfs/dbraw/zinc/21/04/74/1193210474.db2.gz MYNFVAVCVWHTGU-FOWTUZBSSA-N -1 3 316.364 3.469 20 30 DGEDHM COc1cccc([C@H](NCc2c(C)cc(C#N)cc2C)C(=O)[O-])c1 ZINC001607332235 1193225049 /nfs/dbraw/zinc/22/50/49/1193225049.db2.gz ZTMHHALEWMQABH-SFHVURJKSA-N -1 3 324.380 3.099 20 30 DGEDHM CC[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001472618321 1183654575 /nfs/dbraw/zinc/65/45/75/1183654575.db2.gz ZWCIUOSQNDJYAC-LBPRGKRZSA-N -1 3 305.205 3.051 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 ZINC001472620858 1183656665 /nfs/dbraw/zinc/65/66/65/1183656665.db2.gz VWTULBVQFKUMFS-OAHLLOKOSA-N -1 3 318.417 3.064 20 30 DGEDHM N#CC1(CCN(CCC(F)(F)F)CC(=O)[O-])CCCCC1 ZINC001608175288 1193281188 /nfs/dbraw/zinc/28/11/88/1193281188.db2.gz VETTXIKOBHVINX-UHFFFAOYSA-N -1 3 306.328 3.190 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](C(=O)[O-])c1ccsc1 ZINC001608214299 1193284020 /nfs/dbraw/zinc/28/40/20/1193284020.db2.gz LMOOQCFTRRPQIY-CVEARBPZSA-N -1 3 312.394 3.413 20 30 DGEDHM N#Cc1cccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001608217903 1193284813 /nfs/dbraw/zinc/28/48/13/1193284813.db2.gz YNOMSHYELOHXAG-HNNXBMFYSA-N -1 3 300.745 3.127 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(C)ccc1C ZINC001609061254 1193322641 /nfs/dbraw/zinc/32/26/41/1193322641.db2.gz PVSLEBXQARPSPR-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM C=CCC1(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CCC1 ZINC001609053884 1193322841 /nfs/dbraw/zinc/32/28/41/1193322841.db2.gz STQWDGFURCOYDE-UHFFFAOYSA-N -1 3 317.418 3.230 20 30 DGEDHM C=CCC1(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CCC1 ZINC001609053884 1193322846 /nfs/dbraw/zinc/32/28/46/1193322846.db2.gz STQWDGFURCOYDE-UHFFFAOYSA-N -1 3 317.418 3.230 20 30 DGEDHM CC(C)(CC#N)CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001609082997 1193323598 /nfs/dbraw/zinc/32/35/98/1193323598.db2.gz PYYDHYZLVFMUDI-UHFFFAOYSA-N -1 3 324.310 3.237 20 30 DGEDHM CC(C)(CC#N)CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001609082997 1193323600 /nfs/dbraw/zinc/32/36/00/1193323600.db2.gz PYYDHYZLVFMUDI-UHFFFAOYSA-N -1 3 324.310 3.237 20 30 DGEDHM CCCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC ZINC001609209014 1193330960 /nfs/dbraw/zinc/33/09/60/1193330960.db2.gz HKHHQQPTMJSWAZ-UHFFFAOYSA-N -1 3 316.409 3.207 20 30 DGEDHM CCCCCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001609209311 1193331535 /nfs/dbraw/zinc/33/15/35/1193331535.db2.gz XOJXOFGSCUFRFN-UHFFFAOYSA-N -1 3 316.409 3.341 20 30 DGEDHM CCCCCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001609209311 1193331537 /nfs/dbraw/zinc/33/15/37/1193331537.db2.gz XOJXOFGSCUFRFN-UHFFFAOYSA-N -1 3 316.409 3.341 20 30 DGEDHM Cc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC001609426974 1193339198 /nfs/dbraw/zinc/33/91/98/1193339198.db2.gz CJWYBASJKMIUHD-UHFFFAOYSA-N -1 3 318.793 3.336 20 30 DGEDHM Cc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC001609426974 1193339199 /nfs/dbraw/zinc/33/91/99/1193339199.db2.gz CJWYBASJKMIUHD-UHFFFAOYSA-N -1 3 318.793 3.336 20 30 DGEDHM N#C[C@@H]1CC[C@H](Sc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001609494317 1193343020 /nfs/dbraw/zinc/34/30/20/1193343020.db2.gz ADDZGVXQTKQWID-SCZZXKLOSA-N -1 3 305.794 3.304 20 30 DGEDHM N#C[C@@H]1CC[C@H](Sc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001609494317 1193343022 /nfs/dbraw/zinc/34/30/22/1193343022.db2.gz ADDZGVXQTKQWID-SCZZXKLOSA-N -1 3 305.794 3.304 20 30 DGEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1cccc(Cl)c1 ZINC001609586094 1193344329 /nfs/dbraw/zinc/34/43/29/1193344329.db2.gz RUZCQJJWTHINQV-MLPAPPSSSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1cccc(Cl)c1 ZINC001609586094 1193344332 /nfs/dbraw/zinc/34/43/32/1193344332.db2.gz RUZCQJJWTHINQV-MLPAPPSSSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)Oc2cccc(Cl)c21 ZINC001609585943 1193344505 /nfs/dbraw/zinc/34/45/05/1193344505.db2.gz LNZUCDYIYBJTAZ-MDWZMJQESA-N -1 3 324.727 3.136 20 30 DGEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)Oc2cccc(Cl)c21 ZINC001609585943 1193344508 /nfs/dbraw/zinc/34/45/08/1193344508.db2.gz LNZUCDYIYBJTAZ-MDWZMJQESA-N -1 3 324.727 3.136 20 30 DGEDHM C[C@@](CC(=O)[O-])(NCCC1(C#N)CCCCC1)c1ccccn1 ZINC001609729854 1193352315 /nfs/dbraw/zinc/35/23/15/1193352315.db2.gz FHQLIQLPLAYNSB-KRWDZBQOSA-N -1 3 315.417 3.225 20 30 DGEDHM C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001609776584 1193355798 /nfs/dbraw/zinc/35/57/98/1193355798.db2.gz RNPZQKRUWAQZQG-KBPBESRZSA-N -1 3 324.380 3.433 20 30 DGEDHM CCCCN([O-])C(=O)CN(Cc1cccnc1)c1ccccc1 ZINC001611657956 1193439093 /nfs/dbraw/zinc/43/90/93/1193439093.db2.gz OKPOFZFEZYFNPF-UHFFFAOYSA-N -1 3 313.401 3.106 20 30 DGEDHM COc1cc(C(=O)N([O-])Cc2ccccc2Cl)ccc1C#N ZINC001611651107 1193439095 /nfs/dbraw/zinc/43/90/95/1193439095.db2.gz ZJVZMGGREKRGOY-UHFFFAOYSA-N -1 3 316.744 3.252 20 30 DGEDHM CCCCN([O-])C(=O)CCc1ccccc1Br ZINC001611657834 1193439260 /nfs/dbraw/zinc/43/92/60/1193439260.db2.gz JFULIXFZYWXTDN-UHFFFAOYSA-N -1 3 300.196 3.400 20 30 DGEDHM O=C(CCC(=O)N([O-])Cc1ccc(F)cc1)c1cccc(F)c1 ZINC001611666845 1193439662 /nfs/dbraw/zinc/43/96/62/1193439662.db2.gz DJBFWZDVIAZWAY-UHFFFAOYSA-N -1 3 319.307 3.346 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc2cncn21 ZINC001514848913 1186731889 /nfs/dbraw/zinc/73/18/89/1186731889.db2.gz SCTORYAZMWQBJL-AWEZNQCLSA-N -1 3 322.393 3.467 20 30 DGEDHM C#C[C@H](NCc1ccc(C(=O)[O-])c(Br)c1)C(C)(C)C ZINC001602679262 1186786620 /nfs/dbraw/zinc/78/66/20/1186786620.db2.gz VQLDINDLLKRZPK-ZDUSSCGKSA-N -1 3 324.218 3.285 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCCCCCNC(=O)OC(C)(C)C ZINC001557326746 1189056906 /nfs/dbraw/zinc/05/69/06/1189056906.db2.gz XIIMYCJWQVQDEC-UHFFFAOYSA-N -1 3 314.426 3.086 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)/C=C\c2ccc(Cl)s2)c1 ZINC001557922255 1189092546 /nfs/dbraw/zinc/09/25/46/1189092546.db2.gz GURCZCWLODZPRU-ALCCZGGFSA-N -1 3 304.758 3.397 20 30 DGEDHM C=C(CC(C)C)C(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001558740163 1189145542 /nfs/dbraw/zinc/14/55/42/1189145542.db2.gz QUYZLSYPEONJSJ-UHFFFAOYSA-N -1 3 315.373 3.280 20 30 DGEDHM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N([O-])CCCCCC ZINC001559034481 1189163507 /nfs/dbraw/zinc/16/35/07/1189163507.db2.gz BYPZIHHNIXWNMT-CQSZACIVSA-N -1 3 316.401 3.300 20 30 DGEDHM Cn1nc(C(=O)N([O-])CCCCc2ccccc2)c2ccccc21 ZINC001559034204 1189163685 /nfs/dbraw/zinc/16/36/85/1189163685.db2.gz QLWLRHOOABUMOB-UHFFFAOYSA-N -1 3 323.396 3.428 20 30 DGEDHM COC[C@@H](C)CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001559031165 1189163875 /nfs/dbraw/zinc/16/38/75/1189163875.db2.gz UWEBULDFHGZVHF-VIFPVBQESA-N -1 3 306.189 3.384 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H](C)NC(=O)C1CCCCC1 ZINC001559034680 1189163973 /nfs/dbraw/zinc/16/39/73/1189163973.db2.gz LFTNSBNKQWPZQC-CQSZACIVSA-N -1 3 312.454 3.260 20 30 DGEDHM C#Cc1cccc(N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001559527001 1189213538 /nfs/dbraw/zinc/21/35/38/1189213538.db2.gz QOJOMJKEGPEHAB-UHFFFAOYSA-N -1 3 315.376 3.467 20 30 DGEDHM C=CCO[C@@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001623871009 1193970525 /nfs/dbraw/zinc/97/05/25/1193970525.db2.gz IEFKONXKLSWXKQ-GFCCVEGCSA-N -1 3 303.383 3.024 20 30 DGEDHM N#CCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001632266388 1194379982 /nfs/dbraw/zinc/37/99/82/1194379982.db2.gz HUDJBEXYEYMFKD-MRXNPFEDSA-N -1 3 312.344 3.235 20 30 DGEDHM N#Cc1cc(C(=O)Nc2cc([O-])cc(Br)c2)cs1 ZINC001635433187 1194551853 /nfs/dbraw/zinc/55/18/53/1194551853.db2.gz FMBCDWUXKBDPKI-UHFFFAOYSA-N -1 3 323.171 3.340 20 30 DGEDHM C=CCn1ncc2ccc(NC(=O)c3cccc(OC)c3[O-])cc21 ZINC001636358275 1194608739 /nfs/dbraw/zinc/60/87/39/1194608739.db2.gz ROLFWUZYYVXDFL-UHFFFAOYSA-N -1 3 323.352 3.189 20 30 DGEDHM CC(=O)c1cccc(NC(=O)c2c[nH]c3cccc(C#N)c23)c1[O-] ZINC001636953038 1194642429 /nfs/dbraw/zinc/64/24/29/1194642429.db2.gz MZXICFONISCGBM-UHFFFAOYSA-N -1 3 319.320 3.200 20 30 DGEDHM Cc1cc(C)c2[n-]cc(C(=O)Nc3cccc(C#N)c3)c(=O)c2c1 ZINC001638083617 1194701372 /nfs/dbraw/zinc/70/13/72/1194701372.db2.gz MBPIWJROXJUEHL-UHFFFAOYSA-N -1 3 317.348 3.269 20 30 DGEDHM CSc1cc(C(=O)N([O-])Cc2ccccc2Cl)ccn1 ZINC001639054289 1194748338 /nfs/dbraw/zinc/74/83/38/1194748338.db2.gz FCGKXUFGWAHTQT-UHFFFAOYSA-N -1 3 308.790 3.489 20 30 DGEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001639078622 1194749781 /nfs/dbraw/zinc/74/97/81/1194749781.db2.gz NGWWRQDRZVUWMI-LLVKDONJSA-N -1 3 318.304 3.255 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O ZINC001639072211 1194750103 /nfs/dbraw/zinc/75/01/03/1194750103.db2.gz YLFWLXDLIMPCJF-MRXNPFEDSA-N -1 3 318.417 3.075 20 30 DGEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2cccc(O)c2[O-])CC1 ZINC001639170599 1194754141 /nfs/dbraw/zinc/75/41/41/1194754141.db2.gz FGAIVITYQMGARN-UHFFFAOYSA-N -1 3 316.401 3.326 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC001641867950 1194875857 /nfs/dbraw/zinc/87/58/57/1194875857.db2.gz UGYNKXZOODLWIN-UHFFFAOYSA-N -1 3 305.300 3.216 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001641868130 1194876185 /nfs/dbraw/zinc/87/61/85/1194876185.db2.gz XNHFXRHGEIMBDI-LSDHHAIUSA-N -1 3 306.362 3.496 20 30 DGEDHM O=C(c1ccc2nc[nH]c2n1)N([O-])Cc1cccc2ccccc21 ZINC001641873394 1194876889 /nfs/dbraw/zinc/87/68/89/1194876889.db2.gz QZWGBYHJSRROOG-UHFFFAOYSA-N -1 3 318.336 3.143 20 30 DGEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1cccc(F)c1F ZINC001648117705 1195278005 /nfs/dbraw/zinc/27/80/05/1195278005.db2.gz KKGGCBXZZWRART-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM CCCCN([O-])C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC001651229380 1195428604 /nfs/dbraw/zinc/42/86/04/1195428604.db2.gz NHGNNLLMJNKCDY-UHFFFAOYSA-N -1 3 320.368 3.161 20 30 DGEDHM C[C@H](Oc1ccccn1)C(=O)N([O-])CCCCc1ccccc1 ZINC001651226876 1195428694 /nfs/dbraw/zinc/42/86/94/1195428694.db2.gz BNRNDELYKJCCQH-HNNXBMFYSA-N -1 3 314.385 3.090 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001651228138 1195428908 /nfs/dbraw/zinc/42/89/08/1195428908.db2.gz XWGUNZTWVGCVMO-CYBMUJFWSA-N -1 3 316.442 3.288 20 30 DGEDHM N#Cc1cccnc1-n1cc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001651726299 1195502442 /nfs/dbraw/zinc/50/24/42/1195502442.db2.gz NFWQGDGSOYGLGF-UHFFFAOYSA-N -1 3 320.287 3.163 20 30 DGEDHM Cc1cc(F)c(C#N)c(N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c1 ZINC001652273480 1195574385 /nfs/dbraw/zinc/57/43/85/1195574385.db2.gz UAMFAMWWKKFAGU-ZETCQYMHSA-N -1 3 313.258 3.316 20 30 DGEDHM C=C(CC)CN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001653947290 1195761851 /nfs/dbraw/zinc/76/18/51/1195761851.db2.gz ZMQIMAINWSPUCC-CYBMUJFWSA-N -1 3 312.335 3.062 20 30 DGEDHM O=C(Cc1[nH]nc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001654814026 1195842460 /nfs/dbraw/zinc/84/24/60/1195842460.db2.gz ITWDMWPCXFECIW-UHFFFAOYSA-N -1 3 315.760 3.177 20 30 DGEDHM O=C([C@@H]1CCO[C@H]1C1CC1)N([O-])CCCCc1ccccc1 ZINC001654817504 1195844226 /nfs/dbraw/zinc/84/42/26/1195844226.db2.gz MBFQIJWZUIIKBU-SJORKVTESA-N -1 3 303.402 3.042 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nn(-c2ccccc2)cc1OC ZINC001654819675 1195844671 /nfs/dbraw/zinc/84/46/71/1195844671.db2.gz MGTSZJUVPPCRPI-UHFFFAOYSA-N -1 3 317.389 3.293 20 30 DGEDHM CCCCN([O-])C(=O)c1occc1COc1cccc(C#N)c1 ZINC001654822104 1195844773 /nfs/dbraw/zinc/84/47/73/1195844773.db2.gz VKOXCPOUGQSZDQ-UHFFFAOYSA-N -1 3 314.341 3.362 20 30 DGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001655155399 1195883222 /nfs/dbraw/zinc/88/32/22/1195883222.db2.gz SQLPALZZAPMHTQ-CYBMUJFWSA-N -1 3 322.455 3.443 20 30 DGEDHM N#Cc1cnc(NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC001655276010 1195898799 /nfs/dbraw/zinc/89/87/99/1195898799.db2.gz CCXCRQQEZKNJIB-UHFFFAOYSA-N -1 3 322.137 3.173 20 30 DGEDHM C=CCC1([N-]S(=O)(=O)c2cnc(CC)s2)CCCCC1 ZINC001669230646 1197444408 /nfs/dbraw/zinc/44/44/08/1197444408.db2.gz UOLSAWIZGWFCCT-UHFFFAOYSA-N -1 3 314.476 3.263 20 30 DGEDHM C=C(C)CC[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001669329985 1197449444 /nfs/dbraw/zinc/44/94/44/1197449444.db2.gz ISUQANKUBZVECE-UHFFFAOYSA-N -1 3 322.455 3.363 20 30 DGEDHM C=CCC[C@H](CC)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001573335284 947475201 /nfs/dbraw/zinc/47/52/01/947475201.db2.gz WXFHIPHUKQKCBH-ZDUSSCGKSA-N -1 3 301.394 3.422 20 30 DGEDHM C=CCC[C@H](CC)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001573335284 947475206 /nfs/dbraw/zinc/47/52/06/947475206.db2.gz WXFHIPHUKQKCBH-ZDUSSCGKSA-N -1 3 301.394 3.422 20 30 DGEDHM C=CCCCCCCNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001573335530 947481079 /nfs/dbraw/zinc/48/10/79/947481079.db2.gz QWYQLLPRTUKLBM-UHFFFAOYSA-N -1 3 323.404 3.358 20 30 DGEDHM C=CCCCCCCNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001573335530 947481088 /nfs/dbraw/zinc/48/10/88/947481088.db2.gz QWYQLLPRTUKLBM-UHFFFAOYSA-N -1 3 323.404 3.358 20 30 DGEDHM C=CCCC[C@H](C)NC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001573336060 947498780 /nfs/dbraw/zinc/49/87/80/947498780.db2.gz ZOEYGRURHJSUEW-JTQLQIEISA-N -1 3 320.422 3.103 20 30 DGEDHM C=CCCC[C@H](C)NC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001573336060 947498784 /nfs/dbraw/zinc/49/87/84/947498784.db2.gz ZOEYGRURHJSUEW-JTQLQIEISA-N -1 3 320.422 3.103 20 30 DGEDHM C=C[C@H](C(=O)[O-])N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001588664440 983800223 /nfs/dbraw/zinc/80/02/23/983800223.db2.gz VTBYTRASLHYBIV-OCCSQVGLSA-N -1 3 317.282 3.215 20 30 DGEDHM C=CCN(CC=C)Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001588826775 984306344 /nfs/dbraw/zinc/30/63/44/984306344.db2.gz WGKZEYUHMFMYRS-UHFFFAOYSA-N -1 3 302.349 3.190 20 30 DGEDHM CC(C)(NCc1ccsc1C(=O)[O-])c1cccc(C#N)c1 ZINC001590872861 990783451 /nfs/dbraw/zinc/78/34/51/990783451.db2.gz YZIYWUKYQAUDMI-UHFFFAOYSA-N -1 3 300.383 3.343 20 30 DGEDHM N#CC12CCC(Nc3cc(F)cc(-c4nnn[n-]4)c3)(CC1)CC2 ZINC001169752114 1081643030 /nfs/dbraw/zinc/64/30/30/1081643030.db2.gz OXJYOAFQHCLTSA-UHFFFAOYSA-N -1 3 312.352 3.034 20 30 DGEDHM N#CC12CCC(Nc3cc(F)cc(-c4nn[n-]n4)c3)(CC1)CC2 ZINC001169752114 1081643032 /nfs/dbraw/zinc/64/30/32/1081643032.db2.gz OXJYOAFQHCLTSA-UHFFFAOYSA-N -1 3 312.352 3.034 20 30 DGEDHM COC(=O)c1sc(Nc2ccc(F)cc2[O-])c(C#N)c1C ZINC001210015015 1081862615 /nfs/dbraw/zinc/86/26/15/1081862615.db2.gz UDQGMEOUQLOWTA-UHFFFAOYSA-N -1 3 306.318 3.303 20 30 DGEDHM COc1cc(OC)c(F)c(Nc2ccc([O-])c(C#N)c2)c1F ZINC001210529943 1081977280 /nfs/dbraw/zinc/97/72/80/1081977280.db2.gz ZMXZPOWRNPKSDZ-UHFFFAOYSA-N -1 3 306.268 3.303 20 30 DGEDHM CN(C)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000005290691 1082410768 /nfs/dbraw/zinc/41/07/68/1082410768.db2.gz NSURZDCVVIODLG-BPKVKKHESA-N -1 3 319.386 3.084 20 30 DGEDHM N#Cc1ccc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)s1 ZINC001132497307 1082928018 /nfs/dbraw/zinc/92/80/18/1082928018.db2.gz AJCCGRYETUCTNC-UHFFFAOYSA-N -1 3 300.236 3.428 20 30 DGEDHM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001181778482 1083537519 /nfs/dbraw/zinc/53/75/19/1083537519.db2.gz QGGLMUXSRQYTIE-SNVBAGLBSA-N -1 3 316.744 3.323 20 30 DGEDHM N#Cc1cc(NC(=O)CCc2cnc3ccccc3c2)ccc1[O-] ZINC001182299683 1083678062 /nfs/dbraw/zinc/67/80/62/1083678062.db2.gz QAQAFTHCFXXUIG-UHFFFAOYSA-N -1 3 317.348 3.383 20 30 DGEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3c2cccc3F)ccc1[O-] ZINC001182572532 1083754468 /nfs/dbraw/zinc/75/44/68/1083754468.db2.gz SGGLVEODHZLFEU-UHFFFAOYSA-N -1 3 309.300 3.065 20 30 DGEDHM C#Cc1cccc(CNC(=O)c2ccc(OCCCC)cc2[O-])c1 ZINC001183693855 1084000475 /nfs/dbraw/zinc/00/04/75/1084000475.db2.gz JNSKHPQXBOWALT-UHFFFAOYSA-N -1 3 323.392 3.482 20 30 DGEDHM Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1ccc(F)c([O-])c1 ZINC001183889097 1084052981 /nfs/dbraw/zinc/05/29/81/1084052981.db2.gz GJBOQAOIKRUVAN-UHFFFAOYSA-N -1 3 323.327 3.374 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1cc(OC)cc(OC)c1 ZINC001184305244 1084143405 /nfs/dbraw/zinc/14/34/05/1084143405.db2.gz AYJGBCVRBCKOBB-UHFFFAOYSA-N -1 3 309.406 3.435 20 30 DGEDHM CCCCN([O-])C(=O)Cc1csc(-n2c(C)ccc2C)n1 ZINC001184314602 1084148063 /nfs/dbraw/zinc/14/80/63/1084148063.db2.gz BSOWEKPKSYRKCJ-UHFFFAOYSA-N -1 3 307.419 3.111 20 30 DGEDHM CCOC(=O)C(C)(C)CC(=O)N([O-])CCCCc1ccccc1 ZINC001184293277 1084156230 /nfs/dbraw/zinc/15/62/30/1084156230.db2.gz MPGAFBQREDSOQS-UHFFFAOYSA-N -1 3 321.417 3.207 20 30 DGEDHM CCc1c[nH]c(=O)c(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001184293454 1084156276 /nfs/dbraw/zinc/15/62/76/1084156276.db2.gz TWYSEGNOQCLTEL-UHFFFAOYSA-N -1 3 306.749 3.035 20 30 DGEDHM N#C[C@H]1CC[C@H](Nc2cc(C(F)(F)F)[n-]c(=S)n2)CC1 ZINC001167842104 1084184284 /nfs/dbraw/zinc/18/42/84/1084184284.db2.gz FOOCBKLQYCRJKA-ZKCHVHJHSA-N -1 3 302.325 3.278 20 30 DGEDHM C=CCc1c(F)c(F)c(C(=O)[N-]/C(C)=C\C(C)=O)c(F)c1F ZINC001186731958 1084693279 /nfs/dbraw/zinc/69/32/79/1084693279.db2.gz 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COc1ccc(C(F)(F)C(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000152232853 533371689 /nfs/dbraw/zinc/37/16/89/533371689.db2.gz IRKWOBPIBPFGBN-LRDDRELGSA-N -1 3 322.355 3.376 20 30 DGEDHM N#Cc1ccsc1[N-]C(=O)c1cnc(Oc2ccccc2)cn1 ZINC000091188523 400102591 /nfs/dbraw/zinc/10/25/91/400102591.db2.gz PLQJJMWYBBTKCD-UHFFFAOYSA-N -1 3 322.349 3.454 20 30 DGEDHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084600 400212165 /nfs/dbraw/zinc/21/21/65/400212165.db2.gz PGJXDMOWLXYGOX-DZGCQCFKSA-N -1 3 324.421 3.335 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C(C)C)C(C)C ZINC000610912130 400323866 /nfs/dbraw/zinc/32/38/66/400323866.db2.gz RDHGDZQMMIJFGC-UHFFFAOYSA-N -1 3 317.433 3.005 20 30 DGEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc([O-])ccc1Cl ZINC000589504344 400301966 /nfs/dbraw/zinc/30/19/66/400301966.db2.gz QHXUJIMBMYYARA-MRXNPFEDSA-N -1 3 312.756 3.335 20 30 DGEDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589588687 400306749 /nfs/dbraw/zinc/30/67/49/400306749.db2.gz CUMDTKJUAMONRP-UHFFFAOYSA-N -1 3 304.346 3.001 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000590378804 400382721 /nfs/dbraw/zinc/38/27/21/400382721.db2.gz MSBGFVXUQXQEFJ-UHFFFAOYSA-N -1 3 311.765 3.373 20 30 DGEDHM N#Cc1ccccc1C=Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000589821032 400330000 /nfs/dbraw/zinc/33/00/00/400330000.db2.gz MHXZRRLAOCVMJP-VURMDHGXSA-N -1 3 314.308 3.050 20 30 DGEDHM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000579256764 400337173 /nfs/dbraw/zinc/33/71/73/400337173.db2.gz FVIQHTXJCOBTMH-ZDUSSCGKSA-N -1 3 321.384 3.447 20 30 DGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000611113637 400345815 /nfs/dbraw/zinc/34/58/15/400345815.db2.gz CCQAKUCEXZTHDL-NSHDSACASA-N -1 3 314.476 3.262 20 30 DGEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000611113796 400346480 /nfs/dbraw/zinc/34/64/80/400346480.db2.gz JUWXROTYJWRKNM-GFCCVEGCSA-N -1 3 324.377 3.097 20 30 DGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000611114033 400347151 /nfs/dbraw/zinc/34/71/51/400347151.db2.gz HBPXQDRNZDHRPQ-VIFPVBQESA-N -1 3 321.229 3.191 20 30 DGEDHM CCC(CC)c1nnc([N-]C(=O)c2ccc(C#N)c(C)n2)s1 ZINC000031877770 400355516 /nfs/dbraw/zinc/35/55/16/400355516.db2.gz OWBGLBRPVWTZME-UHFFFAOYSA-N -1 3 315.402 3.269 20 30 DGEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C#N)c1Cl ZINC000611619520 400430173 /nfs/dbraw/zinc/43/01/73/400430173.db2.gz JXDBUJMHANENSZ-UHFFFAOYSA-N -1 3 321.229 3.130 20 30 DGEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000602225436 400427201 /nfs/dbraw/zinc/42/72/01/400427201.db2.gz DFBFXXCTFOINPN-UHFFFAOYSA-N -1 3 301.371 3.437 20 30 DGEDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)c(C)c2)cc1 ZINC000591351443 400513282 /nfs/dbraw/zinc/51/32/82/400513282.db2.gz HHTZOLHKCINTHT-GOSISDBHSA-N -1 3 324.380 3.181 20 30 DGEDHM CCCCn1c(S[C@H](C#N)Cc2ccccc2)n[n-]c1=O ZINC000604075963 400747643 /nfs/dbraw/zinc/74/76/43/400747643.db2.gz CJOIBVMAFDASOL-ZDUSSCGKSA-N -1 3 302.403 3.011 20 30 DGEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000078380215 400795339 /nfs/dbraw/zinc/79/53/39/400795339.db2.gz YSBSPSCNFGKZGA-ZDUSSCGKSA-N -1 3 314.776 3.148 20 30 DGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000619461165 400851939 /nfs/dbraw/zinc/85/19/39/400851939.db2.gz LKIKCIUDYSATIW-UHFFFAOYSA-N -1 3 306.774 3.207 20 30 DGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000182014716 400891368 /nfs/dbraw/zinc/89/13/68/400891368.db2.gz OVCNJPXJAUADNJ-SKDRFNHKSA-N -1 3 318.851 3.152 20 30 DGEDHM CCc1cccc(C(=O)NCc2ccc(C#N)c(Cl)c2)c1[O-] ZINC000619780882 400906165 /nfs/dbraw/zinc/90/61/65/400906165.db2.gz IFAKQSQZRIKUCR-UHFFFAOYSA-N -1 3 314.772 3.410 20 30 DGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C1(C)CCC1 ZINC000594765022 401170169 /nfs/dbraw/zinc/17/01/69/401170169.db2.gz GNPGZNNAIJPCPP-UHFFFAOYSA-N -1 3 320.439 3.302 20 30 DGEDHM C=C1CCN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)CC1 ZINC000269302668 432159576 /nfs/dbraw/zinc/15/95/76/432159576.db2.gz YIBDEJYHWRFERD-UHFFFAOYSA-N -1 3 300.333 3.180 20 30 DGEDHM CCCNc1ccc(C#N)cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000182047333 432156685 /nfs/dbraw/zinc/15/66/85/432156685.db2.gz YAQBOLNXRXCFDV-GQCTYLIASA-N -1 3 322.368 3.133 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190886533 432197272 /nfs/dbraw/zinc/19/72/72/432197272.db2.gz PJUXEJKXCGUESS-GFCCVEGCSA-N -1 3 321.311 3.268 20 30 DGEDHM COCc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190925927 432201827 /nfs/dbraw/zinc/20/18/27/432201827.db2.gz LBALQLSYLKKGNQ-HNNXBMFYSA-N -1 3 317.348 3.266 20 30 DGEDHM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)c1ccccn1 ZINC000132207114 227027650 /nfs/dbraw/zinc/02/76/50/227027650.db2.gz KQWMXXVOBQKICR-HNNXBMFYSA-N -1 3 314.348 3.337 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)c(Cl)c1 ZINC000169262193 228267266 /nfs/dbraw/zinc/26/72/66/228267266.db2.gz WPEQAABYAUVVJW-UHFFFAOYSA-N -1 3 324.833 3.380 20 30 DGEDHM Cc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1OC(F)F ZINC000265122969 228659259 /nfs/dbraw/zinc/65/92/59/228659259.db2.gz HVMFVUCXWMCBSB-IFRROFPPSA-N -1 3 322.311 3.248 20 30 DGEDHM Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C)CC2(C)C)c([O-])c1 ZINC000331229521 229023428 /nfs/dbraw/zinc/02/34/28/229023428.db2.gz HEPDKPVNDVYQIZ-ZDUSSCGKSA-N -1 3 318.417 3.042 20 30 DGEDHM N#CCC[C@@H]([N-]S(=O)(=O)c1sccc1F)c1ccccc1 ZINC000338936900 229071303 /nfs/dbraw/zinc/07/13/03/229071303.db2.gz RHUVGNUNKAGUCE-CYBMUJFWSA-N -1 3 324.402 3.211 20 30 DGEDHM N#CC(=C([O-])c1ccc(Oc2cccnc2)cc1)c1ccncn1 ZINC000354458698 229296569 /nfs/dbraw/zinc/29/65/69/229296569.db2.gz CKIWKAFVRQNIEM-INIZCTEOSA-N -1 3 316.320 3.154 20 30 DGEDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000225226231 263838958 /nfs/dbraw/zinc/83/89/58/263838958.db2.gz DONOBTUSIILENR-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CCC(CC)c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000356534655 266006813 /nfs/dbraw/zinc/00/68/13/266006813.db2.gz WVZMMJFHBJPKPV-UHFFFAOYSA-N -1 3 314.389 3.348 20 30 DGEDHM C[C@@H]1CCN(C(=O)Cc2c(F)cccc2C#N)c2c([O-])cccc21 ZINC000354763621 267020658 /nfs/dbraw/zinc/02/06/58/267020658.db2.gz COIZFKPTUFBFNF-GFCCVEGCSA-N -1 3 324.355 3.486 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC23CCC(CC2)C3)c1 ZINC000356618450 268099056 /nfs/dbraw/zinc/09/90/56/268099056.db2.gz ITFKRWJLRCOIEO-UHFFFAOYSA-N -1 3 324.833 3.070 20 30 DGEDHM N#Cc1c(F)cccc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000487764887 429167751 /nfs/dbraw/zinc/16/77/51/429167751.db2.gz ZZZCGEWYLAWFGA-UHFFFAOYSA-N -1 3 324.340 3.468 20 30 DGEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3cnccn3)sc21 ZINC000297907568 278953651 /nfs/dbraw/zinc/95/36/51/278953651.db2.gz RJBHBXOVJXVETA-VHSXEESVSA-N -1 3 312.398 3.348 20 30 DGEDHM N#CC(=C([O-])c1cccc(OC[C@H]2CCCO2)c1)c1ccccn1 ZINC000073970465 431392240 /nfs/dbraw/zinc/39/22/40/431392240.db2.gz GCECPERYOZJGJU-SJORKVTESA-N -1 3 322.364 3.129 20 30 DGEDHM CCCOc1ccc(/C=N/[C@H]2[C@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000123242569 431859091 /nfs/dbraw/zinc/85/90/91/431859091.db2.gz AHQNMTWYAYFISF-DINWUWHBSA-N -1 3 303.402 3.413 20 30 DGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000089495618 431868391 /nfs/dbraw/zinc/86/83/91/431868391.db2.gz SNWZAPMAUOGJQG-UHFFFAOYSA-N -1 3 316.373 3.106 20 30 DGEDHM C[C@H](CC#N)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094107660 431919931 /nfs/dbraw/zinc/91/99/31/431919931.db2.gz ZOJRNHVNPXUJCK-CQSZACIVSA-N -1 3 324.380 3.345 20 30 DGEDHM Cc1cc(Br)oc1C([O-])=C(C#N)c1ccccn1 ZINC000048540616 431927883 /nfs/dbraw/zinc/92/78/83/431927883.db2.gz YNALQEBEAIAFKL-SECBINFHSA-N -1 3 305.131 3.236 20 30 DGEDHM Cc1nn(C)c(C)c1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000048855599 431932869 /nfs/dbraw/zinc/93/28/69/431932869.db2.gz YVMUCLZBMHKOEZ-AWEZNQCLSA-N -1 3 304.353 3.075 20 30 DGEDHM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1 ZINC000049458272 431940135 /nfs/dbraw/zinc/94/01/35/431940135.db2.gz BFZVODQVZNVLJT-OAHLLOKOSA-N -1 3 322.755 3.411 20 30 DGEDHM CC(C)NC(=O)Nc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000049457216 431940164 /nfs/dbraw/zinc/94/01/64/431940164.db2.gz IEWDRZMZMQAOOX-CQSZACIVSA-N -1 3 322.368 3.102 20 30 DGEDHM N#CC(=C([O-])c1ccc(Br)c(F)c1)c1ccccn1 ZINC000049417065 431940317 /nfs/dbraw/zinc/94/03/17/431940317.db2.gz KVYRYSRHZFUTAS-SNVBAGLBSA-N -1 3 319.133 3.473 20 30 DGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000192456898 432376205 /nfs/dbraw/zinc/37/62/05/432376205.db2.gz PEXNKOMEQFDMCM-UHFFFAOYSA-N -1 3 310.353 3.020 20 30 DGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153623967 432425804 /nfs/dbraw/zinc/42/58/04/432425804.db2.gz MFQOQUZGZYIKDY-SNVBAGLBSA-N -1 3 316.744 3.323 20 30 DGEDHM CSC1(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000193257053 432461595 /nfs/dbraw/zinc/46/15/95/432461595.db2.gz UKAQADAERYCJQA-VGOFMYFVSA-N -1 3 300.221 3.469 20 30 DGEDHM N#Cc1ccc(NCc2ccc([O-])c(Br)c2)nc1 ZINC000155586738 432562797 /nfs/dbraw/zinc/56/27/97/432562797.db2.gz KHHPCMWTVHEKPG-UHFFFAOYSA-N -1 3 304.147 3.033 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCc3sccc32)c1[O-] ZINC000274328307 432652242 /nfs/dbraw/zinc/65/22/42/432652242.db2.gz KGLBGYDKNLPURR-GHIJENOOSA-N -1 3 302.399 3.146 20 30 DGEDHM C=C(C)CN(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189029587 432759514 /nfs/dbraw/zinc/75/95/14/432759514.db2.gz GIOCZGXUCRZING-UHFFFAOYSA-N -1 3 309.365 3.271 20 30 DGEDHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)c1 ZINC000330604164 432919032 /nfs/dbraw/zinc/91/90/32/432919032.db2.gz GRXMBESQDATZLU-NSHDSACASA-N -1 3 316.323 3.032 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)C)nc2C)nc(C)n1 ZINC000453575231 433214979 /nfs/dbraw/zinc/21/49/79/433214979.db2.gz DAIBQORRNOATPO-OAHLLOKOSA-N -1 3 308.385 3.410 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cn(C(C)C)nc2C)ccc1[O-] ZINC000280949487 433236034 /nfs/dbraw/zinc/23/60/34/433236034.db2.gz IXDOINJJLLSERF-VOTSOKGWSA-N -1 3 300.358 3.383 20 30 DGEDHM CC(=O)N1CCC[C@@H](C/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000280958465 433239200 /nfs/dbraw/zinc/23/92/00/433239200.db2.gz KFTDOAZCYPDDBA-SLDJAQPHSA-N -1 3 310.397 3.223 20 30 DGEDHM CCc1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)ccc1[O-] ZINC000291675227 433309670 /nfs/dbraw/zinc/30/96/70/433309670.db2.gz MEXUSTPMYUEEOI-HXUWFJFHSA-N -1 3 320.392 3.136 20 30 DGEDHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000350936220 433330597 /nfs/dbraw/zinc/33/05/97/433330597.db2.gz FDVHLJULUHWCKC-SNVBAGLBSA-N -1 3 312.822 3.069 20 30 DGEDHM C=CCC1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCC1 ZINC000361953668 433467492 /nfs/dbraw/zinc/46/74/92/433467492.db2.gz ZFTHWUCEFBZNIS-UHFFFAOYSA-N -1 3 318.327 3.435 20 30 DGEDHM C=CCC1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCC1 ZINC000361953668 433467502 /nfs/dbraw/zinc/46/75/02/433467502.db2.gz ZFTHWUCEFBZNIS-UHFFFAOYSA-N -1 3 318.327 3.435 20 30 DGEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCC1 ZINC000361953668 433467509 /nfs/dbraw/zinc/46/75/09/433467509.db2.gz ZFTHWUCEFBZNIS-UHFFFAOYSA-N -1 3 318.327 3.435 20 30 DGEDHM CC(C)n1nccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362178548 433568062 /nfs/dbraw/zinc/56/80/62/433568062.db2.gz DGATWPNGODEGCX-NSHDSACASA-N -1 3 322.290 3.368 20 30 DGEDHM C=CC[C@@H](NCc1ccc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC000426799108 433604363 /nfs/dbraw/zinc/60/43/63/433604363.db2.gz KATJYZYVYFMKHJ-QGZVFWFLSA-N -1 3 311.381 3.481 20 30 DGEDHM CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000313480938 292889651 /nfs/dbraw/zinc/88/96/51/292889651.db2.gz GYHPBKHYBPQMPF-UHFFFAOYSA-N -1 3 314.838 3.316 20 30 DGEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000426811935 433610914 /nfs/dbraw/zinc/61/09/14/433610914.db2.gz OXUAASXWVWDARE-KRWDZBQOSA-N -1 3 315.344 3.306 20 30 DGEDHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000282471149 433616026 /nfs/dbraw/zinc/61/60/26/433616026.db2.gz IMDZAHCDWKACHA-UHFFFAOYSA-N -1 3 318.851 3.010 20 30 DGEDHM N#Cc1ccc2c(c1)N(C(=O)Cc1ccc([O-])cc1Cl)CC2 ZINC000339930250 433862932 /nfs/dbraw/zinc/86/29/32/433862932.db2.gz YQMJZHTWYWUDIH-UHFFFAOYSA-N -1 3 312.756 3.049 20 30 DGEDHM COc1ccc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c([O-])c1 ZINC000416105486 434019554 /nfs/dbraw/zinc/01/95/54/434019554.db2.gz LEUOIKQCNBOKKJ-QGZVFWFLSA-N -1 3 322.364 3.080 20 30 DGEDHM CC(C)(C#N)CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436725912 434087936 /nfs/dbraw/zinc/08/79/36/434087936.db2.gz WBMCVRWMLHKXPE-UHFFFAOYSA-N -1 3 324.380 3.251 20 30 DGEDHM CC(C)c1ccc(C(=O)NCCc2cccc(C#N)c2)c([O-])c1 ZINC000436740758 434090444 /nfs/dbraw/zinc/09/04/44/434090444.db2.gz RGMKGEVXPALBSV-UHFFFAOYSA-N -1 3 308.381 3.360 20 30 DGEDHM COc1cccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1[O-] ZINC000436674733 434059419 /nfs/dbraw/zinc/05/94/19/434059419.db2.gz IXHWWWUWGUVXNH-UHFFFAOYSA-N -1 3 323.352 3.099 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000416337023 434105398 /nfs/dbraw/zinc/10/53/98/434105398.db2.gz BWUKIDGMHPJJRS-KRWDZBQOSA-N -1 3 324.355 3.139 20 30 DGEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000416530170 434133344 /nfs/dbraw/zinc/13/33/44/434133344.db2.gz LRBWYTNWSAJUMD-UHFFFAOYSA-N -1 3 324.377 3.099 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000294973753 434160320 /nfs/dbraw/zinc/16/03/20/434160320.db2.gz NFLKYGWINZWLIP-NSHDSACASA-N -1 3 321.327 3.049 20 30 DGEDHM N#CCCCOc1cccc(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000417022675 434273211 /nfs/dbraw/zinc/27/32/11/434273211.db2.gz VNHLXMRWOMUGPM-UHFFFAOYSA-N -1 3 324.384 3.354 20 30 DGEDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000329100694 434357024 /nfs/dbraw/zinc/35/70/24/434357024.db2.gz DUEVTMRUBXEVHX-CJNGLKHVSA-N -1 3 302.374 3.157 20 30 DGEDHM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccsc2)ccc1C#N ZINC000417538486 434426071 /nfs/dbraw/zinc/42/60/71/434426071.db2.gz ULZUORRQKDJBIO-HNNXBMFYSA-N -1 3 300.383 3.234 20 30 DGEDHM C#CCO[N-]C(=O)C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000296004539 434474607 /nfs/dbraw/zinc/47/46/07/434474607.db2.gz KWSWBKVZZWDZHU-UHFFFAOYSA-N -1 3 324.218 3.007 20 30 DGEDHM C[C@H](CC#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000439058699 434559138 /nfs/dbraw/zinc/55/91/38/434559138.db2.gz MTMPXZRSAGLMGL-CQSZACIVSA-N -1 3 308.381 3.209 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2ncc(C#N)cc2Cl)s1 ZINC000439244552 434580573 /nfs/dbraw/zinc/58/05/73/434580573.db2.gz HOAYIPOEABHJSQ-UHFFFAOYSA-N -1 3 316.773 3.355 20 30 DGEDHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000523568680 434954724 /nfs/dbraw/zinc/95/47/24/434954724.db2.gz DQAXLHXJXQBUDV-NSHDSACASA-N -1 3 312.410 3.190 20 30 DGEDHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000524149387 434969711 /nfs/dbraw/zinc/96/97/11/434969711.db2.gz OKFHMDASOVPMJM-GFCCVEGCSA-N -1 3 312.410 3.192 20 30 DGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000465482775 435030594 /nfs/dbraw/zinc/03/05/94/435030594.db2.gz IUBUNLFXEAUTQX-QMMMGPOBSA-N -1 3 301.820 3.408 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc3c2CCCC3)nc(C)n1 ZINC000556479877 435009595 /nfs/dbraw/zinc/00/95/95/435009595.db2.gz BWZNBBDCWPBGMU-QGZVFWFLSA-N -1 3 305.381 3.462 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccc(OCCC)c(OC)c1 ZINC000493044883 435098412 /nfs/dbraw/zinc/09/84/12/435098412.db2.gz HZURBUVXUSCEEH-KJJQSCHISA-N -1 3 305.374 3.120 20 30 DGEDHM CCCn1nccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000563448142 435268686 /nfs/dbraw/zinc/26/86/86/435268686.db2.gz GVZHXFGAQHVVLV-LLVKDONJSA-N -1 3 322.290 3.197 20 30 DGEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1Cl ZINC000569180907 435510287 /nfs/dbraw/zinc/51/02/87/435510287.db2.gz DMAZLFKFZGBCDG-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000486503377 435603041 /nfs/dbraw/zinc/60/30/41/435603041.db2.gz BOQHCFHUCBXJJW-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=C[C@H]1CCCCN1c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000486502986 435603657 /nfs/dbraw/zinc/60/36/57/435603657.db2.gz BDOZCOVBHNRJCQ-HNNXBMFYSA-N -1 3 310.401 3.352 20 30 DGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000520468425 435745343 /nfs/dbraw/zinc/74/53/43/435745343.db2.gz OPWRMCVCCUJQND-LLVKDONJSA-N -1 3 321.229 3.210 20 30 DGEDHM C#C[C@H](C)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000491633431 435781592 /nfs/dbraw/zinc/78/15/92/435781592.db2.gz QXYVQWQIELDYRH-JTQLQIEISA-N -1 3 313.382 3.110 20 30 DGEDHM COc1cc([O-])cc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000541892047 314047432 /nfs/dbraw/zinc/04/74/32/314047432.db2.gz GRLYZAPZAUWWER-UHFFFAOYSA-N -1 3 302.717 3.178 20 30 DGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000576998460 316190944 /nfs/dbraw/zinc/19/09/44/316190944.db2.gz HRBACKAOKTVREB-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000569345032 331918844 /nfs/dbraw/zinc/91/88/44/331918844.db2.gz DOIQKOQYWSSDLL-UHFFFAOYSA-N -1 3 319.386 3.023 20 30 DGEDHM COc1ccc(C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)(C)C)cc1 ZINC000274301696 334059183 /nfs/dbraw/zinc/05/91/83/334059183.db2.gz GBSHKIAWWDHEGZ-HNNXBMFYSA-N -1 3 310.344 3.232 20 30 DGEDHM CC1CC(C#N)(C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000532622670 336257287 /nfs/dbraw/zinc/25/72/87/336257287.db2.gz WFCWLHBDRDFCKP-UHFFFAOYSA-N -1 3 309.163 3.033 20 30 DGEDHM N#CCC1CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000527004910 336279121 /nfs/dbraw/zinc/27/91/21/336279121.db2.gz PWRRKTIBJYMBEG-UHFFFAOYSA-N -1 3 312.291 3.177 20 30 DGEDHM Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)ccc1[O-] ZINC000500017046 340048702 /nfs/dbraw/zinc/04/87/02/340048702.db2.gz JEZYPEWWQCHIAZ-AWEZNQCLSA-N -1 3 300.745 3.349 20 30 DGEDHM Cc1nc([C@@H]2CCCO2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000347752775 534573719 /nfs/dbraw/zinc/57/37/19/534573719.db2.gz FCQZTRAYOFRRHO-YPMHNXCESA-N -1 3 313.382 3.188 20 30 DGEDHM Cc1cccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c1[O-] ZINC000179550607 534618545 /nfs/dbraw/zinc/61/85/45/534618545.db2.gz HDUWWMFUPVPWBD-CQSZACIVSA-N -1 3 300.745 3.349 20 30 DGEDHM N#CCSc1cccc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000175247520 534710973 /nfs/dbraw/zinc/71/09/73/534710973.db2.gz KRMJYVIEDFLIDB-UHFFFAOYSA-N -1 3 316.357 3.077 20 30 DGEDHM N#CC(=C([O-])c1ccccc1CCC(F)(F)F)c1ccncn1 ZINC000354473618 534741465 /nfs/dbraw/zinc/74/14/65/534741465.db2.gz VUTHJVDTJSYVFZ-ZDUSSCGKSA-N -1 3 319.286 3.462 20 30 DGEDHM C=CCN(Cc1ccc(OC)c([O-])c1Br)C1CC1 ZINC000355364391 526336617 /nfs/dbraw/zinc/33/66/17/526336617.db2.gz LOQQNTNDEAIVSJ-UHFFFAOYSA-N -1 3 312.207 3.314 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000337560132 526566622 /nfs/dbraw/zinc/56/66/22/526566622.db2.gz MGBCCXZURFJDDE-UHFFFAOYSA-N -1 3 324.359 3.316 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000337560132 526566628 /nfs/dbraw/zinc/56/66/28/526566628.db2.gz MGBCCXZURFJDDE-UHFFFAOYSA-N -1 3 324.359 3.316 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000337560132 526566632 /nfs/dbraw/zinc/56/66/32/526566632.db2.gz MGBCCXZURFJDDE-UHFFFAOYSA-N -1 3 324.359 3.316 20 30 DGEDHM C=CCOc1cccnc1C(=O)[N-]c1nnc(CCCC)s1 ZINC000341888430 526969117 /nfs/dbraw/zinc/96/91/17/526969117.db2.gz JPIDDBCNWBGHLL-UHFFFAOYSA-N -1 3 318.402 3.093 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000432301623 527018947 /nfs/dbraw/zinc/01/89/47/527018947.db2.gz NENRNNVEYUWKDW-UHFFFAOYSA-N -1 3 305.802 3.360 20 30 DGEDHM CC(=O)c1ccc(C(=O)NC[C@@](C)(O)C2CCCCC2)cc1[O-] ZINC000331228562 527220870 /nfs/dbraw/zinc/22/08/70/527220870.db2.gz FUXMRBPRAXXBGD-GOSISDBHSA-N -1 3 319.401 3.231 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000181320085 527420121 /nfs/dbraw/zinc/42/01/21/527420121.db2.gz QAOPAJYYWSVFAK-UHFFFAOYSA-N -1 3 319.373 3.460 20 30 DGEDHM CCCCCc1nnc([N-]C(=O)c2cc(C#N)cs2)s1 ZINC000176829608 528286745 /nfs/dbraw/zinc/28/67/45/528286745.db2.gz FTIUCJFGFBNEDY-UHFFFAOYSA-N -1 3 306.416 3.456 20 30 DGEDHM C=CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000161871038 546074030 /nfs/dbraw/zinc/07/40/30/546074030.db2.gz ZNNBHPJPLBXHRK-UHFFFAOYSA-N -1 3 313.728 3.213 20 30 DGEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000333010941 546501924 /nfs/dbraw/zinc/50/19/24/546501924.db2.gz SDNDTDYFNGMDGS-PSASIEDQSA-N -1 3 320.805 3.214 20 30 DGEDHM C=C(C)[C@H](CO)Sc1nnc([N-]c2ccccc2F)s1 ZINC000671147060 547771981 /nfs/dbraw/zinc/77/19/81/547771981.db2.gz AOGSXUFYHPLDBJ-NSHDSACASA-N -1 3 311.407 3.450 20 30 DGEDHM COC(=O)[C@H](Cc1ccccc1)/N=C\c1cc(Cl)ccc1[O-] ZINC000730547174 574531534 /nfs/dbraw/zinc/53/15/34/574531534.db2.gz NQKFNKZARDKNBJ-VUQQOUJSSA-N -1 3 317.772 3.249 20 30 DGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCOc2ccc(F)cc21 ZINC000731562187 574552305 /nfs/dbraw/zinc/55/23/05/574552305.db2.gz PGEICNWPTPFQHY-SAGYFLTASA-N -1 3 301.317 3.483 20 30 DGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])cs1 ZINC000732268363 574569620 /nfs/dbraw/zinc/56/96/20/574569620.db2.gz KCJQAZNAVXFQGQ-UHFFFAOYSA-N -1 3 300.383 3.378 20 30 DGEDHM N#CCCCOc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732274131 574569858 /nfs/dbraw/zinc/56/98/58/574569858.db2.gz KZKBPIXPDPWBPQ-UHFFFAOYSA-N -1 3 302.355 3.389 20 30 DGEDHM COC(=O)C[C@@H](/N=C\c1ccccc1[O-])c1ccc(OC)cc1 ZINC000732770058 574582136 /nfs/dbraw/zinc/58/21/36/574582136.db2.gz UDLPAOXUYWAVKW-BKAYVGFPSA-N -1 3 313.353 3.124 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CCc2ccc(F)cc2Cl)c1[O-] ZINC000733205202 574607814 /nfs/dbraw/zinc/60/78/14/574607814.db2.gz NBPHDQQMEKEIJX-UWVJOHFNSA-N -1 3 322.767 3.042 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@@](C)(O)c1ccc(F)cc1F ZINC000733903693 574642209 /nfs/dbraw/zinc/64/22/09/574642209.db2.gz PCZJBWCLDURFCH-BSNPHMGVSA-N -1 3 321.323 3.006 20 30 DGEDHM C[S@@](=O)Cc1cc(N=Cc2cccc([O-])c2O)ccc1Cl ZINC000734366071 574657913 /nfs/dbraw/zinc/65/79/13/574657913.db2.gz DBJPDRONCVMALZ-OAQYLSRUSA-N -1 3 323.801 3.380 20 30 DGEDHM C[S@@](=O)Cc1ccc(Cl)c(N=Cc2cccc([O-])c2O)c1 ZINC000735229119 574691880 /nfs/dbraw/zinc/69/18/80/574691880.db2.gz RMALCZAGKDJMQX-OAQYLSRUSA-N -1 3 323.801 3.380 20 30 DGEDHM C=CCCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735412667 574700169 /nfs/dbraw/zinc/70/01/69/574700169.db2.gz HRXBQYLBLUIUQY-UHFFFAOYSA-N -1 3 321.384 3.434 20 30 DGEDHM C=CCCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735412667 574700170 /nfs/dbraw/zinc/70/01/70/574700170.db2.gz HRXBQYLBLUIUQY-UHFFFAOYSA-N -1 3 321.384 3.434 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cccc(-n2cncn2)c1 ZINC000735415036 574702348 /nfs/dbraw/zinc/70/23/48/574702348.db2.gz QAOYFBVMQBTFQZ-NVMNQCDNSA-N -1 3 312.760 3.245 20 30 DGEDHM CC(CCc1ccccc1F)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000735993016 574725860 /nfs/dbraw/zinc/72/58/60/574725860.db2.gz OXCILHCRWNFIKW-UHFFFAOYSA-N -1 3 324.363 3.426 20 30 DGEDHM CC(CCc1ccccc1F)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000735993016 574725862 /nfs/dbraw/zinc/72/58/62/574725862.db2.gz OXCILHCRWNFIKW-UHFFFAOYSA-N -1 3 324.363 3.426 20 30 DGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc2occc2s1 ZINC000737316082 574837721 /nfs/dbraw/zinc/83/77/21/574837721.db2.gz DNQJTBQOPSICGL-NSHDSACASA-N -1 3 310.334 3.455 20 30 DGEDHM Cc1ccc2[nH]cc(C=NNc3cccc(-c4nnn[n-]4)c3)c2c1 ZINC000737372812 574840427 /nfs/dbraw/zinc/84/04/27/574840427.db2.gz LFDMNQZAEICLHW-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM Cc1ccc2[nH]cc(C=NNc3cccc(-c4nn[n-]n4)c3)c2c1 ZINC000737372812 574840429 /nfs/dbraw/zinc/84/04/29/574840429.db2.gz LFDMNQZAEICLHW-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000737440042 574843990 /nfs/dbraw/zinc/84/39/90/574843990.db2.gz AJYPHRGUVLMLLF-IMTYQHOASA-N -1 3 324.424 3.418 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737452043 574844404 /nfs/dbraw/zinc/84/44/04/574844404.db2.gz WNTZWVBPONFALU-INIZCTEOSA-N -1 3 314.772 3.469 20 30 DGEDHM Cc1cc(C)c(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)c1 ZINC000738355583 574866807 /nfs/dbraw/zinc/86/68/07/574866807.db2.gz JYUWWFXUDRYIKA-SFHVURJKSA-N -1 3 308.381 3.399 20 30 DGEDHM CCOc1ccc(/C=N/C[C@H](CC(C)C)C(=O)OC)c([O-])c1 ZINC000741464173 574958635 /nfs/dbraw/zinc/95/86/35/574958635.db2.gz LVNSKTJRILWGHE-XKYMITNMSA-N -1 3 307.390 3.045 20 30 DGEDHM C[C@H](CN1CCN(c2ccccc2)CC1)/N=C/c1ccccc1[O-] ZINC000741466536 574958650 /nfs/dbraw/zinc/95/86/50/574958650.db2.gz UVACITCVFPEJML-WNSCPLKPSA-N -1 3 323.440 3.022 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@H](C)Oc1cccc(F)c1 ZINC000741841492 574972825 /nfs/dbraw/zinc/97/28/25/574972825.db2.gz AKAGJJARPSSMRT-MKFNJMOCSA-N -1 3 303.333 3.426 20 30 DGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCC[C@H](C2CC2)C1 ZINC000743449073 575051849 /nfs/dbraw/zinc/05/18/49/575051849.db2.gz MMVAUIWDZWNONN-INIZCTEOSA-N -1 3 320.458 3.105 20 30 DGEDHM COc1ccccc1C(C)(C)C/N=C\c1ccc(O)c([O-])c1O ZINC000745021827 575369934 /nfs/dbraw/zinc/36/99/34/575369934.db2.gz SEAZBJYOSXUWKA-GRSHGNNSSA-N -1 3 315.369 3.209 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2cc(F)ccc2[O-])o1 ZINC000745613554 575405693 /nfs/dbraw/zinc/40/56/93/575405693.db2.gz IFOSFRSOIWKUSO-UHFFFAOYSA-N -1 3 316.336 3.426 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/Cc2ccccc2C(F)(F)F)c1O ZINC000745624971 575407347 /nfs/dbraw/zinc/40/73/47/575407347.db2.gz QRONNNHERGJBBW-UFWORHAWSA-N -1 3 311.259 3.441 20 30 DGEDHM Cc1nc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2s1 ZINC000747707900 575534556 /nfs/dbraw/zinc/53/45/56/575534556.db2.gz PHAKSJSYGKKNQS-UHFFFAOYSA-N -1 3 313.382 3.257 20 30 DGEDHM COc1ccc([C@H](C)/N=C\c2ccc(O)c([O-])c2O)cc1F ZINC000747713181 575534712 /nfs/dbraw/zinc/53/47/12/575534712.db2.gz PXXGKPDDPVRNBN-QNNPZSRPSA-N -1 3 305.305 3.131 20 30 DGEDHM COc1cc(C=NOCC(C)C)c(Br)cc1[O-] ZINC000749636785 575669873 /nfs/dbraw/zinc/66/98/73/575669873.db2.gz RDYZEXUPWOEBKO-UHFFFAOYSA-N -1 3 302.168 3.170 20 30 DGEDHM Cn1c2ccccc2[nH]c1=NN=Cc1cc(F)c([O-])c(F)c1 ZINC000749857763 575683363 /nfs/dbraw/zinc/68/33/63/575683363.db2.gz HFXMTETZVIAVNH-UHFFFAOYSA-N -1 3 302.284 3.003 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNc1ccc(F)cc1C)C(=O)[N-]2 ZINC000750938860 575763134 /nfs/dbraw/zinc/76/31/34/575763134.db2.gz PPYPKVAXLCNKOX-UHFFFAOYSA-N -1 3 301.296 3.350 20 30 DGEDHM COc1cccc([O-])c1/C=N/[C@H]1CCOc2c(OC)cccc21 ZINC000750949717 575764320 /nfs/dbraw/zinc/76/43/20/575764320.db2.gz IBCQURRGFVRZSV-YRIIZNAFSA-N -1 3 313.353 3.352 20 30 DGEDHM C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000751515884 575788070 /nfs/dbraw/zinc/78/80/70/575788070.db2.gz AKGXUXYAFMNGEW-AWEZNQCLSA-N -1 3 323.396 3.305 20 30 DGEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000751528310 575788661 /nfs/dbraw/zinc/78/86/61/575788661.db2.gz AMSSPYRAWSWTGM-MRVPVSSYSA-N -1 3 311.838 3.032 20 30 DGEDHM CC(N=Nc1nc(-c2ccccc2)no1)c1cc(F)ccc1[O-] ZINC000726739201 576039220 /nfs/dbraw/zinc/03/92/20/576039220.db2.gz FUEFEJAVUGFNHI-UHFFFAOYSA-N -1 3 312.304 3.417 20 30 DGEDHM CCC[C@H](Cc1ccccc1)/N=C/c1c([O-])c(C)ncc1CO ZINC000727781380 576144999 /nfs/dbraw/zinc/14/49/99/576144999.db2.gz LHTZXOSPEATEJW-KKJJZKEWSA-N -1 3 312.413 3.418 20 30 DGEDHM Cn1c(Cl)nc(Cl)c1/C=C1\Cc2c(cccc2[O-])C1=O ZINC000728440663 576182002 /nfs/dbraw/zinc/18/20/02/576182002.db2.gz RECYGZBCERJKSD-VOTSOKGWSA-N -1 3 309.152 3.255 20 30 DGEDHM C#C[C@H](/N=C/c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000852998282 620658657 /nfs/dbraw/zinc/65/86/57/620658657.db2.gz JYARNMMEAQTSKF-FBJMNJBLSA-N -1 3 322.202 3.002 20 30 DGEDHM Cc1cccc2c1CCC[C@@H]2/N=C\c1c([O-])c(C)ncc1CO ZINC000852999029 620658900 /nfs/dbraw/zinc/65/89/00/620658900.db2.gz ULEXHWOGEMEJRY-OIQMFWTRSA-N -1 3 310.397 3.393 20 30 DGEDHM C=CCN1C(=O)C(=N[N-]c2ncccc2Cl)c2ccccc21 ZINC000917549314 620674952 /nfs/dbraw/zinc/67/49/52/620674952.db2.gz LGVRXWKTWURXRU-UHFFFAOYSA-N -1 3 312.760 3.084 20 30 DGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1cccc2c1CCCC2 ZINC000917552682 620675477 /nfs/dbraw/zinc/67/54/77/620675477.db2.gz MBBVQLXJQAXFFH-UHFFFAOYSA-N -1 3 307.353 3.039 20 30 DGEDHM COc1cc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)ccc1[O-] ZINC000918749149 620723365 /nfs/dbraw/zinc/72/33/65/620723365.db2.gz MUTOTCAGNQSHQE-SREVYHEPSA-N -1 3 300.358 3.318 20 30 DGEDHM COc1cc(C=NOC/C=C\Cl)cc(Br)c1[O-] ZINC000811668830 617622558 /nfs/dbraw/zinc/62/25/58/617622558.db2.gz KISSEXIWJGQFKW-NVSQZKJESA-N -1 3 320.570 3.266 20 30 DGEDHM C=CC(C)(C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000891261107 617761821 /nfs/dbraw/zinc/76/18/21/617761821.db2.gz ANNQXABINSWIDF-UHFFFAOYSA-N -1 3 311.407 3.185 20 30 DGEDHM CCc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000920383594 620798301 /nfs/dbraw/zinc/79/83/01/620798301.db2.gz LUGFEKCECZVDOR-UHFFFAOYSA-N -1 3 316.426 3.093 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCC[C@H]1CCOC1 ZINC000840711603 619015528 /nfs/dbraw/zinc/01/55/28/619015528.db2.gz XXVRHQNDSDQHSS-UJFYRASASA-N -1 3 312.207 3.390 20 30 DGEDHM COC(=O)[C@H]1C[C@@H]2C[C@H](/N=C\c3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC000899231548 619320389 /nfs/dbraw/zinc/32/03/89/619320389.db2.gz RCYHUONHUFQEPO-VISYHDBFSA-N -1 3 307.777 3.052 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cnn(CC3CCC3)c2)ccc1[O-] ZINC000899341189 619327177 /nfs/dbraw/zinc/32/71/77/619327177.db2.gz WHNYYANWFUJXBY-ALCCZGGFSA-N -1 3 312.369 3.294 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1c2c(nn1C)CCC2 ZINC000899345608 619327571 /nfs/dbraw/zinc/32/75/71/619327571.db2.gz QCSGEYKFDZJFSS-LZUGORFDSA-N -1 3 312.344 3.137 20 30 DGEDHM O=C(c1cnn(CC2CCCC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901372242 619490952 /nfs/dbraw/zinc/49/09/52/619490952.db2.gz AXRUDORNPPIBDY-UHFFFAOYSA-N -1 3 317.364 3.244 20 30 DGEDHM Cc1cc2c(cc1C)[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)CO2 ZINC000901372327 619491072 /nfs/dbraw/zinc/49/10/72/619491072.db2.gz CAQNVTPVDJKBTM-INIZCTEOSA-N -1 3 315.344 3.337 20 30 DGEDHM Cc1ccc([N+](=O)[O-])c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901375078 619491825 /nfs/dbraw/zinc/49/18/25/619491825.db2.gz CJURVONLNACQMN-UHFFFAOYSA-N -1 3 304.277 3.074 20 30 DGEDHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374496 619491878 /nfs/dbraw/zinc/49/18/78/619491878.db2.gz KTNVXWPVMIHTOX-UHFFFAOYSA-N -1 3 318.304 3.382 20 30 DGEDHM Cc1ncoc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901377973 619492385 /nfs/dbraw/zinc/49/23/85/619492385.db2.gz FZGZLGSPMOLGAC-UHFFFAOYSA-N -1 3 301.129 3.321 20 30 DGEDHM Cc1c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cnn1C ZINC000901380507 619492760 /nfs/dbraw/zinc/49/27/60/619492760.db2.gz YKPUDKWNJYVTOW-UHFFFAOYSA-N -1 3 314.172 3.067 20 30 DGEDHM COc1cc(C(=O)C=Cc2nc(C(C)C)c[nH]2)c(OC)cc1[O-] ZINC000901485793 619509998 /nfs/dbraw/zinc/50/99/98/619509998.db2.gz PEIBBNJLIYGBIU-AATRIKPKSA-N -1 3 316.357 3.152 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2ccnn2CC(C)C)cc(O)c1[O-] ZINC000901522718 619510625 /nfs/dbraw/zinc/51/06/25/619510625.db2.gz NFPDGHWURHBGLE-PLNGDYQASA-N -1 3 300.358 3.155 20 30 DGEDHM C#CCOc1cccc(Cl)c1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901702198 619534965 /nfs/dbraw/zinc/53/49/65/619534965.db2.gz XNTVRKXLXKLZKR-QGZVFWFLSA-N -1 3 321.804 3.039 20 30 DGEDHM CC(=NNCCc1ccncc1)c1ccc2ccccc2c1[O-] ZINC000789094751 625359382 /nfs/dbraw/zinc/35/93/82/625359382.db2.gz XZHLUZKGLNTISK-UHFFFAOYSA-N -1 3 305.381 3.497 20 30 DGEDHM O=C([C@@H]1CCn2ccnc2C1)N([O-])Cc1cccc2ccccc21 ZINC000904172061 619891427 /nfs/dbraw/zinc/89/14/27/619891427.db2.gz YAFQOWOSLLIXQH-OAHLLOKOSA-N -1 3 321.380 3.017 20 30 DGEDHM CCCCN([O-])C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000904209132 619894195 /nfs/dbraw/zinc/89/41/95/619894195.db2.gz VLOVBJWMNNJOKW-UHFFFAOYSA-N -1 3 321.352 3.135 20 30 DGEDHM Cc1nc(CC(=O)N([O-])Cc2ccccc2Cl)c(C)s1 ZINC000904190046 619895114 /nfs/dbraw/zinc/89/51/14/619895114.db2.gz GOHYTANVEYXLRG-UHFFFAOYSA-N -1 3 310.806 3.374 20 30 DGEDHM O=C(c1occ2c1CCOC2)N([O-])CCCCc1ccccc1 ZINC000904195317 619896262 /nfs/dbraw/zinc/89/62/62/619896262.db2.gz BJAGTCDAKTUJNT-UHFFFAOYSA-N -1 3 315.369 3.207 20 30 DGEDHM O=C([C@H]1CC12CCOCC2)N([O-])CCCCc1ccccc1 ZINC000904197255 619896672 /nfs/dbraw/zinc/89/66/72/619896672.db2.gz XEDSXZDPMBRCRA-MRXNPFEDSA-N -1 3 303.402 3.044 20 30 DGEDHM CCCCN([O-])C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000904212561 619901030 /nfs/dbraw/zinc/90/10/30/619901030.db2.gz HJDHPJTURKFSJZ-UHFFFAOYSA-N -1 3 303.334 3.204 20 30 DGEDHM CCCCN([O-])C(=O)c1cn(CC)c2ccc(Cl)cc2c1=O ZINC000904212920 619901061 /nfs/dbraw/zinc/90/10/61/619901061.db2.gz YFDOMLZHIFSQON-UHFFFAOYSA-N -1 3 322.792 3.306 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2ccc(Cl)c(N(C)C)c2)c1[O-] ZINC000905002042 619964175 /nfs/dbraw/zinc/96/41/75/619964175.db2.gz DUFJTSDPEARHQE-UHFFFAOYSA-N -1 3 319.792 3.058 20 30 DGEDHM C#CCCCCCCN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000905736887 620024304 /nfs/dbraw/zinc/02/43/04/620024304.db2.gz AYNPBMJAWWBMGG-UHFFFAOYSA-N -1 3 301.386 3.163 20 30 DGEDHM Cc1cc(C(=O)N2CCCc3cccc([O-])c32)cc(C)c1C#N ZINC000907180636 620143112 /nfs/dbraw/zinc/14/31/12/620143112.db2.gz VNHDFYAXOMONPF-UHFFFAOYSA-N -1 3 306.365 3.474 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cc(F)ccc2F)c1[O-] ZINC000915112858 620568486 /nfs/dbraw/zinc/56/84/86/620568486.db2.gz IUXWXYIXOBUSEF-FUGUBPHRSA-N -1 3 306.312 3.046 20 30 DGEDHM CC(=O)Nc1ccc([O-])c(C(C)=NNc2ccc(C#N)cc2)c1 ZINC000915961762 620611487 /nfs/dbraw/zinc/61/14/87/620611487.db2.gz FASYUZJFLBKDMX-UHFFFAOYSA-N -1 3 308.341 3.058 20 30 DGEDHM CC(=NNC(=S)Nc1cccnc1)c1cc(Cl)ccc1[O-] ZINC000916299536 620624752 /nfs/dbraw/zinc/62/47/52/620624752.db2.gz OLKKBAVGBCSDCA-UHFFFAOYSA-N -1 3 320.805 3.151 20 30 DGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000855169686 620876241 /nfs/dbraw/zinc/87/62/41/620876241.db2.gz BHFDCQFJEDHJRD-OCCSQVGLSA-N -1 3 311.385 3.200 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(Br)ccc1F ZINC000814942135 620887308 /nfs/dbraw/zinc/88/73/08/620887308.db2.gz KOVHCIHKIVBIEW-UHFFFAOYSA-N -1 3 322.124 3.416 20 30 DGEDHM C(=N[N-]c1nc2cccnc2s1)c1nc2c(s1)CCCC2 ZINC000857218868 621070024 /nfs/dbraw/zinc/07/00/24/621070024.db2.gz XKBZGBWLHRHPKD-UHFFFAOYSA-N -1 3 315.427 3.473 20 30 DGEDHM C#CCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCc2ccccc21 ZINC000838795029 621277391 /nfs/dbraw/zinc/27/73/91/621277391.db2.gz AHWQNVYDQGRXTG-SFHVURJKSA-N -1 3 319.408 3.182 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000753533237 621446509 /nfs/dbraw/zinc/44/65/09/621446509.db2.gz NIYWQHWJMKCREY-LLVKDONJSA-N -1 3 313.744 3.005 20 30 DGEDHM CCCCCCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000862359315 621577719 /nfs/dbraw/zinc/57/77/19/621577719.db2.gz JBHUVHDVMWYPRR-UHFFFAOYSA-N -1 3 317.433 3.295 20 30 DGEDHM [O-]c1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1F ZINC000755531630 621577792 /nfs/dbraw/zinc/57/77/92/621577792.db2.gz NFGJJRXNDYMWNR-UHFFFAOYSA-N -1 3 320.374 3.022 20 30 DGEDHM [O-]c1cccc(Cl)c1CN=Nc1ncnc2ccsc21 ZINC000755795667 621594007 /nfs/dbraw/zinc/59/40/07/621594007.db2.gz FMAFJFPIPRTZIM-UHFFFAOYSA-N -1 3 304.762 3.496 20 30 DGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(F)cc(Cl)c1 ZINC000757304237 621698934 /nfs/dbraw/zinc/69/89/34/621698934.db2.gz JIZICJWVEWRTPH-CQSZACIVSA-N -1 3 316.719 3.440 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC2(Cc3ccccc3)CCC2)c1[O-] ZINC000757530287 621721243 /nfs/dbraw/zinc/72/12/43/621721243.db2.gz LCNZSNJLGXOPEY-CIAFOILYSA-N -1 3 324.424 3.420 20 30 DGEDHM C=C(C)C[C@@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000864530078 621780042 /nfs/dbraw/zinc/78/00/42/621780042.db2.gz RTBXKUBWMHJIKN-CQSZACIVSA-N -1 3 320.389 3.458 20 30 DGEDHM COc1cc2c(cc1/C=C\C(=O)c1ccc([O-])c(C)c1)OCO2 ZINC000758933027 621812335 /nfs/dbraw/zinc/81/23/35/621812335.db2.gz YQAUBIWZPSLXJL-XQRVVYSFSA-N -1 3 312.321 3.334 20 30 DGEDHM C[C@H](C[C@@H]1CCOC1)/N=C/c1cc(Br)ccc1[O-] ZINC000759643363 621878397 /nfs/dbraw/zinc/87/83/97/621878397.db2.gz MGYQEIHJIIOZEW-CXDCIMDLSA-N -1 3 312.207 3.389 20 30 DGEDHM COc1ccc(C=NNc2ccccn2)c(Br)c1[O-] ZINC000761013885 621979642 /nfs/dbraw/zinc/97/96/42/621979642.db2.gz CDWKNXDESXWWKA-UHFFFAOYSA-N -1 3 322.162 3.004 20 30 DGEDHM C#C[C@@H]([N-]c1nc(C(C)(C)OC)ns1)c1ccc(F)cc1 ZINC000865822510 622001238 /nfs/dbraw/zinc/00/12/38/622001238.db2.gz ISUNOCLFARSNQU-GFCCVEGCSA-N -1 3 305.378 3.345 20 30 DGEDHM COc1cccc(OC)c1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866386538 622108164 /nfs/dbraw/zinc/10/81/64/622108164.db2.gz GDLQOWVIAPLTBC-GFCCVEGCSA-N -1 3 312.369 3.132 20 30 DGEDHM C#CCCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000766277681 622317008 /nfs/dbraw/zinc/31/70/08/622317008.db2.gz VODDPGCQGFGCTI-UHFFFAOYSA-N -1 3 310.382 3.027 20 30 DGEDHM O=C1c2ccccc2CCN1N=Cc1cc(Cl)ccc1[O-] ZINC000769597497 622542978 /nfs/dbraw/zinc/54/29/78/622542978.db2.gz JYHKLSBQJCOFPA-UHFFFAOYSA-N -1 3 300.745 3.078 20 30 DGEDHM COc1cc(SC)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000772155290 622857702 /nfs/dbraw/zinc/85/77/02/622857702.db2.gz QFJJCVOOCWTMJH-UHFFFAOYSA-N -1 3 305.355 3.285 20 30 DGEDHM N#Cc1ccc(COC(=O)CCCc2ccc([O-])c(F)c2)o1 ZINC000873379488 623128276 /nfs/dbraw/zinc/12/82/76/623128276.db2.gz FFLHOTSSHZMLTI-UHFFFAOYSA-N -1 3 303.289 3.062 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C[C@]2(C)CCCc3ccccc32)c1[O-] ZINC000774543689 623159248 /nfs/dbraw/zinc/15/92/48/623159248.db2.gz ZYSPZJQYMHKFJM-XACCNFBGSA-N -1 3 324.424 3.301 20 30 DGEDHM C#CCOc1ccccc1CNCc1cc(Cl)cc(F)c1[O-] ZINC000776176715 623391951 /nfs/dbraw/zinc/39/19/51/623391951.db2.gz DGYQGTDYQIZFFT-UHFFFAOYSA-N -1 3 319.763 3.487 20 30 DGEDHM C[C@H]1CCCC[C@H]1OCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273197 623404960 /nfs/dbraw/zinc/40/49/60/623404960.db2.gz DKFOGBZASLMHEC-BLLLJJGKSA-N -1 3 303.358 3.016 20 30 DGEDHM CCCc1ccc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776279414 623406897 /nfs/dbraw/zinc/40/68/97/623406897.db2.gz JMQZDGBOKYKQHF-UHFFFAOYSA-N -1 3 323.348 3.256 20 30 DGEDHM CC1(C)CCc2onc(C(=O)[N-]c3sccc3C#N)c2C1 ZINC000875013423 623407606 /nfs/dbraw/zinc/40/76/06/623407606.db2.gz DDHABKLMWCRHPF-UHFFFAOYSA-N -1 3 301.371 3.375 20 30 DGEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])[C@H]1CCCOC1 ZINC000779707371 623788564 /nfs/dbraw/zinc/78/85/64/623788564.db2.gz MUSNZOYIECKOHJ-DICGKTMHSA-N -1 3 312.207 3.389 20 30 DGEDHM C#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000126686427 624018475 /nfs/dbraw/zinc/01/84/75/624018475.db2.gz WLOXMXXHRXHYTF-UHFFFAOYSA-N -1 3 306.214 3.075 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(F)nc2C)c(OC)cc1[O-] ZINC000782346605 624242079 /nfs/dbraw/zinc/24/20/79/624242079.db2.gz ATXUREQZQQTOHN-GQCTYLIASA-N -1 3 317.316 3.148 20 30 DGEDHM C=CCCCCCOC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000783921355 624409188 /nfs/dbraw/zinc/40/91/88/624409188.db2.gz ARZBADPCCHLTMN-UHFFFAOYSA-N -1 3 307.346 3.474 20 30 DGEDHM N#CCCn1cc(C=Cc2nccc(=O)[n-]2)c(-c2ccccc2)n1 ZINC000788357463 625135957 /nfs/dbraw/zinc/13/59/57/625135957.db2.gz ZWBPUFFYUYGACR-BQYQJAHWSA-N -1 3 317.352 3.130 20 30 DGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccoc2C2CC2)c1 ZINC000798816204 626247670 /nfs/dbraw/zinc/24/76/70/626247670.db2.gz ITGJFRBFZDWXLJ-HNNXBMFYSA-N -1 3 324.336 3.127 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCN(c2ccccn2)C1 ZINC000133115066 626766373 /nfs/dbraw/zinc/76/63/73/626766373.db2.gz KIEFDPJKOSYMCU-LEBHLANCSA-N -1 3 301.777 3.138 20 30 DGEDHM COC(=O)c1ccccc1NN=C1CCc2c1ccc([O-])c2F ZINC000807980821 626782117 /nfs/dbraw/zinc/78/21/17/626782117.db2.gz YQSKYWOHLLWMDO-UHFFFAOYSA-N -1 3 314.316 3.080 20 30 DGEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2scc(C)c2C#N)c1 ZINC000809004635 626875862 /nfs/dbraw/zinc/87/58/62/626875862.db2.gz DJZJOFUKZDMQJL-UHFFFAOYSA-N -1 3 317.326 3.097 20 30 DGEDHM CC(=O)N1C[C@@H]2CCC[C@H](/N=C/c3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC000809144215 626886278 /nfs/dbraw/zinc/88/62/78/626886278.db2.gz HJTJOAMNOUZWJO-XIGNXLMWSA-N -1 3 320.820 3.112 20 30 DGEDHM CCCCCCCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000137947636 627147678 /nfs/dbraw/zinc/14/76/78/627147678.db2.gz UTSZSIRHJMDGIL-UHFFFAOYSA-N -1 3 315.421 3.234 20 30 DGEDHM CCCCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000137947636 627147680 /nfs/dbraw/zinc/14/76/80/627147680.db2.gz UTSZSIRHJMDGIL-UHFFFAOYSA-N -1 3 315.421 3.234 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2ccc(O)c(C(C)C)c2)c1[O-] ZINC000887269939 627239526 /nfs/dbraw/zinc/23/95/26/627239526.db2.gz DMXYRXAMIFTYRZ-UHFFFAOYSA-N -1 3 300.358 3.168 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2c3ccccc3CC[C@@H]2F)c1[O-] ZINC000887270235 627239683 /nfs/dbraw/zinc/23/96/83/627239683.db2.gz JQNAQKZIKHZIIJ-LDOGKYKXSA-N -1 3 314.360 3.032 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCCC(=O)c2ccccc2)c1 ZINC000811185064 627254408 /nfs/dbraw/zinc/25/44/08/627254408.db2.gz YDTNUAVZXKMCTP-UHFFFAOYSA-N -1 3 309.321 3.084 20 30 DGEDHM CCOc1cc(C=NOCCOC(C)C)cc(Cl)c1[O-] ZINC000812240489 627363844 /nfs/dbraw/zinc/36/38/44/627363844.db2.gz NQIFXIQEGSHYNF-UHFFFAOYSA-N -1 3 301.770 3.220 20 30 DGEDHM CCOc1ccc([C@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000812415028 627382139 /nfs/dbraw/zinc/38/21/39/627382139.db2.gz WUSMOTRKHFYICF-XGTDKWECSA-N -1 3 314.385 3.167 20 30 DGEDHM N#CC(=C([O-])C=CC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813217416 627468600 /nfs/dbraw/zinc/46/86/00/627468600.db2.gz FTAFAIKCQRYWPJ-UIIMQBOASA-N -1 3 324.302 3.259 20 30 DGEDHM C#CCN(Cc1ccc(F)cc1)Cc1c(F)ccc([O-])c1F ZINC000816497757 627797227 /nfs/dbraw/zinc/79/72/27/627797227.db2.gz QZPKQEBREZPJFM-UHFFFAOYSA-N -1 3 305.299 3.445 20 30 DGEDHM C#CCOc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000816769220 627828673 /nfs/dbraw/zinc/82/86/73/627828673.db2.gz YLUUOLATPNYHJM-UHFFFAOYSA-N -1 3 301.729 3.310 20 30 DGEDHM CC[C@@H](NCc1nn(C)cc1C(F)F)c1cccc(C#N)c1[O-] ZINC000926805055 627958344 /nfs/dbraw/zinc/95/83/44/627958344.db2.gz NAKZWGSRCDOKPE-CYBMUJFWSA-N -1 3 320.343 3.176 20 30 DGEDHM C=CCC[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000819733866 628184008 /nfs/dbraw/zinc/18/40/08/628184008.db2.gz DGCJMGKEHVCENA-HNNXBMFYSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCC[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000819733866 628184010 /nfs/dbraw/zinc/18/40/10/628184010.db2.gz DGCJMGKEHVCENA-HNNXBMFYSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCCSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819740218 628184779 /nfs/dbraw/zinc/18/47/79/628184779.db2.gz UQDKJBINBJQEQO-UHFFFAOYSA-N -1 3 312.345 3.277 20 30 DGEDHM C=CCCSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819740218 628184784 /nfs/dbraw/zinc/18/47/84/628184784.db2.gz UQDKJBINBJQEQO-UHFFFAOYSA-N -1 3 312.345 3.277 20 30 DGEDHM CC(C)(C#N)c1ccccc1COc1ccccc1-c1nnn[n-]1 ZINC000819891804 628196376 /nfs/dbraw/zinc/19/63/76/628196376.db2.gz HDEDRUNOPPRNHB-UHFFFAOYSA-N -1 3 319.368 3.247 20 30 DGEDHM CC(C)(C#N)c1ccccc1COc1ccccc1-c1nn[n-]n1 ZINC000819891804 628196380 /nfs/dbraw/zinc/19/63/80/628196380.db2.gz HDEDRUNOPPRNHB-UHFFFAOYSA-N -1 3 319.368 3.247 20 30 DGEDHM CC(C)(C#N)CCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819891831 628196425 /nfs/dbraw/zinc/19/64/25/628196425.db2.gz HSHFQMSFAOJPSF-UHFFFAOYSA-N -1 3 305.769 3.229 20 30 DGEDHM CC(C)(C#N)CCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819891831 628196429 /nfs/dbraw/zinc/19/64/29/628196429.db2.gz HSHFQMSFAOJPSF-UHFFFAOYSA-N -1 3 305.769 3.229 20 30 DGEDHM CC(C)(C#N)CCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000819891998 628196446 /nfs/dbraw/zinc/19/64/46/628196446.db2.gz PHNBTUZGBARDFZ-UHFFFAOYSA-N -1 3 305.382 3.428 20 30 DGEDHM CC(C)(C#N)CCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000819891998 628196450 /nfs/dbraw/zinc/19/64/50/628196450.db2.gz PHNBTUZGBARDFZ-UHFFFAOYSA-N -1 3 305.382 3.428 20 30 DGEDHM C[C@H](Nc1ccc(F)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820456464 628260549 /nfs/dbraw/zinc/26/05/49/628260549.db2.gz UJTQBWAEULAQHF-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1ccc(F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820456464 628260552 /nfs/dbraw/zinc/26/05/52/628260552.db2.gz UJTQBWAEULAQHF-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCCC(C)(C)C#N)n1 ZINC000822193126 628428574 /nfs/dbraw/zinc/42/85/74/628428574.db2.gz MFSLMFYPBLWSLG-UHFFFAOYSA-N -1 3 316.434 3.301 20 30 DGEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCCC(C)(C)C#N)n1 ZINC000822193126 628428576 /nfs/dbraw/zinc/42/85/76/628428576.db2.gz MFSLMFYPBLWSLG-UHFFFAOYSA-N -1 3 316.434 3.301 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822274580 628434792 /nfs/dbraw/zinc/43/47/92/628434792.db2.gz BOSLCOKHOIDPDD-WDZFZDKYSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822274580 628434794 /nfs/dbraw/zinc/43/47/94/628434794.db2.gz BOSLCOKHOIDPDD-WDZFZDKYSA-N -1 3 308.366 3.059 20 30 DGEDHM N#Cc1ccc(Cl)cc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822825642 628499780 /nfs/dbraw/zinc/49/97/80/628499780.db2.gz JTSVHVZJFPMZNJ-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822825642 628499785 /nfs/dbraw/zinc/49/97/85/628499785.db2.gz JTSVHVZJFPMZNJ-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000822922556 628509488 /nfs/dbraw/zinc/50/94/88/628509488.db2.gz HJXRQVMKNPLVKG-CMDGGOBGSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000822922556 628509490 /nfs/dbraw/zinc/50/94/90/628509490.db2.gz HJXRQVMKNPLVKG-CMDGGOBGSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504104 628570614 /nfs/dbraw/zinc/57/06/14/628570614.db2.gz MHSYPWBCIQUONO-BQYQJAHWSA-N -1 3 314.395 3.202 20 30 DGEDHM c1ccc(CON=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000823787036 628596492 /nfs/dbraw/zinc/59/64/92/628596492.db2.gz IDVMXLKTRHHBST-UHFFFAOYSA-N -1 3 319.368 3.124 20 30 DGEDHM c1ccc(CON=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000823787036 628596497 /nfs/dbraw/zinc/59/64/97/628596497.db2.gz IDVMXLKTRHHBST-UHFFFAOYSA-N -1 3 319.368 3.124 20 30 DGEDHM C#CC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823838967 628601109 /nfs/dbraw/zinc/60/11/09/628601109.db2.gz XCOWLACJTNEBPQ-OAHLLOKOSA-N -1 3 307.332 3.182 20 30 DGEDHM C#CC[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823838967 628601111 /nfs/dbraw/zinc/60/11/11/628601111.db2.gz XCOWLACJTNEBPQ-OAHLLOKOSA-N -1 3 307.332 3.182 20 30 DGEDHM C#CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823837544 628601256 /nfs/dbraw/zinc/60/12/56/628601256.db2.gz FADMXMOUBYWFMM-HNNXBMFYSA-N -1 3 307.332 3.182 20 30 DGEDHM c1ccc([C@@H]2C[C@H]2CN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823861480 628603840 /nfs/dbraw/zinc/60/38/40/628603840.db2.gz KELRKJKZXUFPOI-HOCLYGCPSA-N -1 3 304.357 3.068 20 30 DGEDHM c1ccc([C@@H]2C[C@H]2CN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823861480 628603842 /nfs/dbraw/zinc/60/38/42/628603842.db2.gz KELRKJKZXUFPOI-HOCLYGCPSA-N -1 3 304.357 3.068 20 30 DGEDHM C=C[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883160 628606984 /nfs/dbraw/zinc/60/69/84/628606984.db2.gz KBKICSUSUWIKSP-CYBMUJFWSA-N -1 3 320.352 3.132 20 30 DGEDHM C=C[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883160 628606986 /nfs/dbraw/zinc/60/69/86/628606986.db2.gz KBKICSUSUWIKSP-CYBMUJFWSA-N -1 3 320.352 3.132 20 30 DGEDHM C=CCOc1cccc(CNc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000823932464 628610836 /nfs/dbraw/zinc/61/08/36/628610836.db2.gz ZTAATSGMPPJWBQ-UHFFFAOYSA-N -1 3 321.384 3.352 20 30 DGEDHM C=CCOc1cccc(CNc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000823932464 628610838 /nfs/dbraw/zinc/61/08/38/628610838.db2.gz ZTAATSGMPPJWBQ-UHFFFAOYSA-N -1 3 321.384 3.352 20 30 DGEDHM CC(C)C[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000824204451 628636968 /nfs/dbraw/zinc/63/69/68/628636968.db2.gz RIZOHTUXHDLFBY-QWRGUYRKSA-N -1 3 323.418 3.125 20 30 DGEDHM CC[C@H](C)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825059411 628722818 /nfs/dbraw/zinc/72/28/18/628722818.db2.gz FGKBGTDZPVFJDI-QMMMGPOBSA-N -1 3 312.299 3.329 20 30 DGEDHM CC[C@H](C)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825059411 628722819 /nfs/dbraw/zinc/72/28/19/628722819.db2.gz FGKBGTDZPVFJDI-QMMMGPOBSA-N -1 3 312.299 3.329 20 30 DGEDHM C=C(C)COCCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825647602 628781519 /nfs/dbraw/zinc/78/15/19/628781519.db2.gz QZPBWTUHHKHLEL-CYBMUJFWSA-N -1 3 318.200 3.301 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825704479 628788114 /nfs/dbraw/zinc/78/81/14/628788114.db2.gz JNTOPYAVIKZZKV-YFHOEESVSA-N -1 3 322.343 3.464 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825704479 628788118 /nfs/dbraw/zinc/78/81/18/628788118.db2.gz JNTOPYAVIKZZKV-YFHOEESVSA-N -1 3 322.343 3.464 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826289275 628840458 /nfs/dbraw/zinc/84/04/58/628840458.db2.gz TUFJTBDZEHKADH-ZZXKWVIFSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826297659 628842405 /nfs/dbraw/zinc/84/24/05/628842405.db2.gz OGXVGCXJLBIRTK-VMPITWQZSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826297659 628842407 /nfs/dbraw/zinc/84/24/07/628842407.db2.gz OGXVGCXJLBIRTK-VMPITWQZSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccnc(N[C@H](CCC#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311991 628843954 /nfs/dbraw/zinc/84/39/54/628843954.db2.gz SGCNXHUDTLCPPH-CQSZACIVSA-N -1 3 319.372 3.027 20 30 DGEDHM Cc1ccnc(N[C@H](CCC#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311991 628843958 /nfs/dbraw/zinc/84/39/58/628843958.db2.gz SGCNXHUDTLCPPH-CQSZACIVSA-N -1 3 319.372 3.027 20 30 DGEDHM Cc1oc2ccccc2c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826342412 628845881 /nfs/dbraw/zinc/84/58/81/628845881.db2.gz JATBHXVHIDGHDW-UHFFFAOYSA-N -1 3 318.340 3.367 20 30 DGEDHM Cc1oc2ccccc2c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826342412 628845883 /nfs/dbraw/zinc/84/58/83/628845883.db2.gz JATBHXVHIDGHDW-UHFFFAOYSA-N -1 3 318.340 3.367 20 30 DGEDHM Clc1ccc2c(c1)C(=NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826352937 628847060 /nfs/dbraw/zinc/84/70/60/628847060.db2.gz UKDDBKDOCWDKRM-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM Clc1ccc2c(c1)C(=NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826352937 628847063 /nfs/dbraw/zinc/84/70/63/628847063.db2.gz UKDDBKDOCWDKRM-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000826401996 628851440 /nfs/dbraw/zinc/85/14/40/628851440.db2.gz KTUUWIGYQXTSHV-VMPITWQZSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826401996 628851442 /nfs/dbraw/zinc/85/14/42/628851442.db2.gz KTUUWIGYQXTSHV-VMPITWQZSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400053 628851621 /nfs/dbraw/zinc/85/16/21/628851621.db2.gz NUXDLODCEZHMLF-KBXRYBNXSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400053 628851625 /nfs/dbraw/zinc/85/16/25/628851625.db2.gz NUXDLODCEZHMLF-KBXRYBNXSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400054 628851760 /nfs/dbraw/zinc/85/17/60/628851760.db2.gz NUXDLODCEZHMLF-MVTUOISNSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400054 628851763 /nfs/dbraw/zinc/85/17/63/628851763.db2.gz NUXDLODCEZHMLF-MVTUOISNSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000826402604 628851799 /nfs/dbraw/zinc/85/17/99/628851799.db2.gz YAAKVRIAPAHVSG-CMDGGOBGSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826402604 628851802 /nfs/dbraw/zinc/85/18/02/628851802.db2.gz YAAKVRIAPAHVSG-CMDGGOBGSA-N -1 3 310.744 3.416 20 30 DGEDHM N#CC[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000826861855 628896422 /nfs/dbraw/zinc/89/64/22/628896422.db2.gz LQKGZZBPYKGKFU-NSHDSACASA-N -1 3 309.207 3.280 20 30 DGEDHM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827058428 628917756 /nfs/dbraw/zinc/91/77/56/628917756.db2.gz DZFBAZZFGYIHNA-SFHVURJKSA-N -1 3 324.380 3.261 20 30 DGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000827718052 628985027 /nfs/dbraw/zinc/98/50/27/628985027.db2.gz NLTQFXRYLKEDRO-QLJPJBMISA-N -1 3 316.307 3.313 20 30 DGEDHM Cc1cc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000832870779 629524522 /nfs/dbraw/zinc/52/45/22/629524522.db2.gz LPLJWZCDBOBYSM-YVEFUNNKSA-N -1 3 312.344 3.482 20 30 DGEDHM N#Cc1ccc(CN[C@H]2CCc3cc(NC(=O)[O-])ccc32)cc1 ZINC000833972111 629663031 /nfs/dbraw/zinc/66/30/31/629663031.db2.gz VHXQYJNXOMCIFF-KRWDZBQOSA-N -1 3 307.353 3.425 20 30 DGEDHM N#Cc1cccc(CN[C@H]2C[C@H](NC(=O)[O-])c3ccccc32)c1 ZINC000833978825 629664280 /nfs/dbraw/zinc/66/42/80/629664280.db2.gz YJVFUEIPBYBJHX-IRXDYDNUSA-N -1 3 307.353 3.102 20 30 DGEDHM C=CC[C@@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843855031 630702124 /nfs/dbraw/zinc/70/21/24/630702124.db2.gz ULROKZQPJAVUKI-QMMMGPOBSA-N -1 3 324.154 3.138 20 30 DGEDHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000844658703 630757684 /nfs/dbraw/zinc/75/76/84/630757684.db2.gz ZKMUDSIVOCCQOJ-GFCCVEGCSA-N -1 3 314.382 3.048 20 30 DGEDHM N#CC(C(=O)C=CC1CC1)=C([O-])c1sccc1Br ZINC000845847173 631199053 /nfs/dbraw/zinc/19/90/53/631199053.db2.gz NBKAGIASBMPYSD-TYRPZCRBSA-N -1 3 324.199 3.368 20 30 DGEDHM C=CC[C@H]1CC[C@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1 ZINC000846159013 631212730 /nfs/dbraw/zinc/21/27/30/631212730.db2.gz HBNYSHADBOYAKD-STQMWFEESA-N -1 3 324.446 3.223 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1nc(C)c(-c2ccccc2)o1 ZINC000846537749 631257139 /nfs/dbraw/zinc/25/71/39/631257139.db2.gz CBNGSKJQDPTCNT-UHFFFAOYSA-N -1 3 300.358 3.207 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1nc(C)c(-c2ccccc2)o1 ZINC000846544605 631257995 /nfs/dbraw/zinc/25/79/95/631257995.db2.gz IBNDICOTYPYMSD-GFCCVEGCSA-N -1 3 300.358 3.205 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1nc(C)c(-c2ccccc2)o1 ZINC000846544607 631258125 /nfs/dbraw/zinc/25/81/25/631258125.db2.gz IBNDICOTYPYMSD-LBPRGKRZSA-N -1 3 300.358 3.205 20 30 DGEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(C2CCCCC2)CCCCC1 ZINC000848134211 631616714 /nfs/dbraw/zinc/61/67/14/631616714.db2.gz PNSGOYMIFTUSEM-OAHLLOKOSA-N -1 3 322.449 3.014 20 30 DGEDHM C#CC[C@@H]1CCCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000849344516 631897482 /nfs/dbraw/zinc/89/74/82/631897482.db2.gz NXMZAQSBADJBQO-ABAIWWIYSA-N -1 3 309.768 3.340 20 30 DGEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cnsn1 ZINC000108981676 632002824 /nfs/dbraw/zinc/00/28/24/632002824.db2.gz JRNKHJSMMUMRLC-VIFPVBQESA-N -1 3 304.400 3.185 20 30 DGEDHM CCCN(CCC)c1ccc(C=NN[C@@H](CC)C(=O)[O-])cc1 ZINC000793072785 661003379 /nfs/dbraw/zinc/00/33/79/661003379.db2.gz WONFHRYXMROBRH-INIZCTEOSA-N -1 3 305.422 3.100 20 30 DGEDHM CCSc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000793669452 661052630 /nfs/dbraw/zinc/05/26/30/661052630.db2.gz RUMPVTQJTUICEM-VCHYOVAHSA-N -1 3 316.426 3.319 20 30 DGEDHM Cc1c(NN=Cc2c(F)ccc([O-])c2F)cccc1[N+](=O)[O-] ZINC000794507493 661087948 /nfs/dbraw/zinc/08/79/48/661087948.db2.gz DKCLYYQFXRVTJN-UHFFFAOYSA-N -1 3 307.256 3.333 20 30 DGEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])Nc1cccc(F)c1 ZINC000050234188 655647919 /nfs/dbraw/zinc/64/79/19/655647919.db2.gz NGKLYHPEFUKOTM-QGMBQPNBSA-N -1 3 306.724 3.242 20 30 DGEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1OC(F)F ZINC000255500869 655774105 /nfs/dbraw/zinc/77/41/05/655774105.db2.gz HLEADSQSYAFDSY-UHFFFAOYSA-N -1 3 309.268 3.464 20 30 DGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSc1ccccc1 ZINC000255905179 655963900 /nfs/dbraw/zinc/96/39/00/655963900.db2.gz WMQGTOXTVBTICZ-RBJHHQRMSA-N -1 3 323.377 3.035 20 30 DGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSc1ccccc1 ZINC000255905178 655963961 /nfs/dbraw/zinc/96/39/61/655963961.db2.gz WMQGTOXTVBTICZ-FPAJZGIOSA-N -1 3 323.377 3.035 20 30 DGEDHM Cc1cccc(C)c1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000019677399 656064704 /nfs/dbraw/zinc/06/47/04/656064704.db2.gz NOKWSGPIHMWYLM-UHFFFAOYSA-N -1 3 324.380 3.018 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(F)cc3cccnc32)c1 ZINC000811188804 661231357 /nfs/dbraw/zinc/23/13/57/661231357.db2.gz YGHYGVOXLVZKKM-UHFFFAOYSA-N -1 3 322.295 3.308 20 30 DGEDHM COc1cccc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000304022369 657703114 /nfs/dbraw/zinc/70/31/14/657703114.db2.gz YLXXQOGZGNRJJM-ZJTXRKTBSA-N -1 3 305.761 3.207 20 30 DGEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130165745 659530552 /nfs/dbraw/zinc/53/05/52/659530552.db2.gz DLWQKPATZZVFSL-NSHDSACASA-N -1 3 320.707 3.342 20 30 DGEDHM C=CC1(CC(=O)Nc2cnc(C(=O)OCC)[n-]2)CCCCC1 ZINC000935630621 661798040 /nfs/dbraw/zinc/79/80/40/661798040.db2.gz NHGGIRBFYIDPCZ-UHFFFAOYSA-N -1 3 305.378 3.052 20 30 DGEDHM C=CC1(CC(=O)Nc2c[n-]c(C(=O)OCC)n2)CCCCC1 ZINC000935630621 661798043 /nfs/dbraw/zinc/79/80/43/661798043.db2.gz NHGGIRBFYIDPCZ-UHFFFAOYSA-N -1 3 305.378 3.052 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001583407554 1192145519 /nfs/dbraw/zinc/14/55/19/1192145519.db2.gz BJQNQFDTBIGTKA-AWEZNQCLSA-N -1 3 303.402 3.347 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cc(Br)ccc1Cl ZINC001583412030 1192146090 /nfs/dbraw/zinc/14/60/90/1192146090.db2.gz BNYFZNDXZBZSJH-MRVPVSSYSA-N -1 3 318.598 3.267 20 30 DGEDHM C=CCC1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCC1 ZINC001663143063 1196797902 /nfs/dbraw/zinc/79/79/02/1196797902.db2.gz CISDJFKXSKRMMO-UHFFFAOYSA-N -1 3 319.348 3.271 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001588496408 1192448512 /nfs/dbraw/zinc/44/85/12/1192448512.db2.gz QGRFFJHSJCDDBN-KRWDZBQOSA-N -1 3 314.389 3.300 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588495758 1192449069 /nfs/dbraw/zinc/44/90/69/1192449069.db2.gz IXDVIRZAUGXENW-AWEZNQCLSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588495758 1192449073 /nfs/dbraw/zinc/44/90/73/1192449073.db2.gz IXDVIRZAUGXENW-AWEZNQCLSA-N -1 3 305.769 3.061 20 30 DGEDHM C=CC(C)(C)CCCNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588487015 1192449222 /nfs/dbraw/zinc/44/92/22/1192449222.db2.gz NPTWFFWQGCDMDC-UHFFFAOYSA-N -1 3 323.404 3.214 20 30 DGEDHM C=CC(C)(C)CCCNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588487015 1192449226 /nfs/dbraw/zinc/44/92/26/1192449226.db2.gz NPTWFFWQGCDMDC-UHFFFAOYSA-N -1 3 323.404 3.214 20 30 DGEDHM C=CCc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588694798 1192452580 /nfs/dbraw/zinc/45/25/80/1192452580.db2.gz NTSCHWFFEYSFOL-UHFFFAOYSA-N -1 3 322.368 3.053 20 30 DGEDHM COc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc1C#N ZINC001588914578 1192456288 /nfs/dbraw/zinc/45/62/88/1192456288.db2.gz LTPNNGYLYVRLKG-UHFFFAOYSA-N -1 3 324.380 3.326 20 30 DGEDHM CC(C)(CCC#N)CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001589272197 1192462275 /nfs/dbraw/zinc/46/22/75/1192462275.db2.gz HQUSREMPTZFCPP-UHFFFAOYSA-N -1 3 304.785 3.262 20 30 DGEDHM CC(C)(CCC#N)CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001589272197 1192462278 /nfs/dbraw/zinc/46/22/78/1192462278.db2.gz HQUSREMPTZFCPP-UHFFFAOYSA-N -1 3 304.785 3.262 20 30 DGEDHM C[C@H](Nc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589980474 1192480076 /nfs/dbraw/zinc/48/00/76/1192480076.db2.gz AMNVYXOHIXROJY-LBPRGKRZSA-N -1 3 304.357 3.106 20 30 DGEDHM C[C@H](Nc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589980474 1192480079 /nfs/dbraw/zinc/48/00/79/1192480079.db2.gz AMNVYXOHIXROJY-LBPRGKRZSA-N -1 3 304.357 3.106 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC001590161971 1192490296 /nfs/dbraw/zinc/49/02/96/1192490296.db2.gz JDLIHCPOEZSKFG-CULDGANSSA-N -1 3 308.366 3.312 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC001590161971 1192490301 /nfs/dbraw/zinc/49/03/01/1192490301.db2.gz JDLIHCPOEZSKFG-CULDGANSSA-N -1 3 308.366 3.312 20 30 DGEDHM C[C@H]1C[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001590188123 1192492958 /nfs/dbraw/zinc/49/29/58/1192492958.db2.gz QSQPHWKFPTVHSQ-ITGUQSILSA-N -1 3 310.405 3.223 20 30 DGEDHM C[C@H]1C[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590188123 1192492962 /nfs/dbraw/zinc/49/29/62/1192492962.db2.gz QSQPHWKFPTVHSQ-ITGUQSILSA-N -1 3 310.405 3.223 20 30 DGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@@H]1CC1(C)C ZINC001590359441 1192503097 /nfs/dbraw/zinc/50/30/97/1192503097.db2.gz ZXXKQCGNBYWLMJ-VIFPVBQESA-N -1 3 319.800 3.139 20 30 DGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@@H]1CC1(C)C ZINC001590359441 1192503100 /nfs/dbraw/zinc/50/31/00/1192503100.db2.gz ZXXKQCGNBYWLMJ-VIFPVBQESA-N -1 3 319.800 3.139 20 30 DGEDHM CC[C@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001590420367 1192507864 /nfs/dbraw/zinc/50/78/64/1192507864.db2.gz XISIEUFDKYATCZ-CYBMUJFWSA-N -1 3 306.373 3.458 20 30 DGEDHM CC[C@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001590420367 1192507866 /nfs/dbraw/zinc/50/78/66/1192507866.db2.gz XISIEUFDKYATCZ-CYBMUJFWSA-N -1 3 306.373 3.458 20 30 DGEDHM CCC(Cc1ccccc1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001590450638 1192509205 /nfs/dbraw/zinc/50/92/05/1192509205.db2.gz RAMKIYNQEXMNNM-UHFFFAOYSA-N -1 3 306.373 3.287 20 30 DGEDHM CCC(Cc1ccccc1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001590450638 1192509210 /nfs/dbraw/zinc/50/92/10/1192509210.db2.gz RAMKIYNQEXMNNM-UHFFFAOYSA-N -1 3 306.373 3.287 20 30 DGEDHM CCc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1 ZINC001590887988 1192554102 /nfs/dbraw/zinc/55/41/02/1192554102.db2.gz DBOLLTHPRUWGBF-SXGWCWSVSA-N -1 3 316.364 3.252 20 30 DGEDHM CCc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1 ZINC001590887988 1192554105 /nfs/dbraw/zinc/55/41/05/1192554105.db2.gz DBOLLTHPRUWGBF-SXGWCWSVSA-N -1 3 316.364 3.252 20 30 DGEDHM CO[C@@H](c1ccccc1)C(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001591315649 1192561183 /nfs/dbraw/zinc/56/11/83/1192561183.db2.gz YVEKAACXTSIINL-MRXNPFEDSA-N -1 3 322.372 3.042 20 30 DGEDHM CO[C@@H](c1ccccc1)C(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001591315649 1192561187 /nfs/dbraw/zinc/56/11/87/1192561187.db2.gz YVEKAACXTSIINL-MRXNPFEDSA-N -1 3 322.372 3.042 20 30 DGEDHM Cc1ccc(SCc2ccccc2C#N)c(-c2nnn[n-]2)c1 ZINC001592196326 1192600679 /nfs/dbraw/zinc/60/06/79/1192600679.db2.gz OFTMODDCQYJXEM-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(SCc2ccccc2C#N)c(-c2nn[n-]n2)c1 ZINC001592196326 1192600683 /nfs/dbraw/zinc/60/06/83/1192600683.db2.gz OFTMODDCQYJXEM-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(S[C@@H](C#N)Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001592196611 1192601006 /nfs/dbraw/zinc/60/10/06/1192601006.db2.gz GPZANXGTYVSUSW-CQSZACIVSA-N -1 3 321.409 3.402 20 30 DGEDHM Cc1ccc(S[C@@H](C#N)Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001592196611 1192601010 /nfs/dbraw/zinc/60/10/10/1192601010.db2.gz GPZANXGTYVSUSW-CQSZACIVSA-N -1 3 321.409 3.402 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CCCc2sccc21 ZINC001592698440 1192625797 /nfs/dbraw/zinc/62/57/97/1192625797.db2.gz AZLKGMAKZWTMJC-ZDUSSCGKSA-N -1 3 322.397 3.289 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CCCc2sccc21 ZINC001592698440 1192625800 /nfs/dbraw/zinc/62/58/00/1192625800.db2.gz AZLKGMAKZWTMJC-ZDUSSCGKSA-N -1 3 322.397 3.289 20 30 DGEDHM N#Cc1ccc(CSc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001592693905 1192625910 /nfs/dbraw/zinc/62/59/10/1192625910.db2.gz DZFRJOFGEAWWSM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC001592669982 1192626761 /nfs/dbraw/zinc/62/67/61/1192626761.db2.gz VKFIQEURADTCNA-CYBMUJFWSA-N -1 3 303.366 3.180 20 30 DGEDHM N#C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC001592669982 1192626762 /nfs/dbraw/zinc/62/67/62/1192626762.db2.gz VKFIQEURADTCNA-CYBMUJFWSA-N -1 3 303.366 3.180 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001592797018 1192627222 /nfs/dbraw/zinc/62/72/22/1192627222.db2.gz YXRGHRJCDDSPNJ-AGGGZFENSA-N -1 3 302.337 3.319 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001592797018 1192627224 /nfs/dbraw/zinc/62/72/24/1192627224.db2.gz YXRGHRJCDDSPNJ-AGGGZFENSA-N -1 3 302.337 3.319 20 30 DGEDHM N#CC[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(F)(F)F ZINC001596783736 1192705928 /nfs/dbraw/zinc/70/59/28/1192705928.db2.gz QWOQLAXDIFMVLH-LLVKDONJSA-N -1 3 314.288 3.181 20 30 DGEDHM N#CC[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(F)(F)F ZINC001596783741 1192705938 /nfs/dbraw/zinc/70/59/38/1192705938.db2.gz QWOQLAXDIFMVLH-NSHDSACASA-N -1 3 314.288 3.181 20 30 DGEDHM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C#N ZINC001600147150 1192795355 /nfs/dbraw/zinc/79/53/55/1192795355.db2.gz AOYGQPFXQSXRPQ-KRWDZBQOSA-N -1 3 312.344 3.230 20 30 DGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)c1 ZINC001259118953 1178083187 /nfs/dbraw/zinc/08/31/87/1178083187.db2.gz YOFKPGWLYNGRSP-UHFFFAOYSA-N -1 3 313.382 3.022 20 30 DGEDHM Cc1scc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC001600890079 1192908830 /nfs/dbraw/zinc/90/88/30/1192908830.db2.gz KBICHWHZTSQDRF-OAHLLOKOSA-N -1 3 300.383 3.152 20 30 DGEDHM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1cccc(F)n1 ZINC001343367634 1179262604 /nfs/dbraw/zinc/26/26/04/1179262604.db2.gz JDKUTPMGUXITSW-JTQLQIEISA-N -1 3 309.222 3.125 20 30 DGEDHM C#C[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001602681815 1192994511 /nfs/dbraw/zinc/99/45/11/1192994511.db2.gz XKBYPQZCGSQKNU-AWEZNQCLSA-N -1 3 309.365 3.490 20 30 DGEDHM CC(=O)c1ncc(C(=O)[N-]c2sc(C)c(C)c2C#N)s1 ZINC001349963409 1179987165 /nfs/dbraw/zinc/98/71/65/1179987165.db2.gz CUTYWDJVRDWVGK-UHFFFAOYSA-N -1 3 305.384 3.148 20 30 DGEDHM C[C@H]1CCc2nc([N-]C(=O)c3cc(C4CC4)no3)c(C#N)cc2C1 ZINC001349966826 1179987812 /nfs/dbraw/zinc/98/78/12/1179987812.db2.gz FSIRZRMJUGSIKS-JTQLQIEISA-N -1 3 322.368 3.196 20 30 DGEDHM C=C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001602803276 1192998149 /nfs/dbraw/zinc/99/81/49/1192998149.db2.gz KAGNXFOGQSUFRW-LBPRGKRZSA-N -1 3 312.354 3.012 20 30 DGEDHM C=C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001602803276 1192998151 /nfs/dbraw/zinc/99/81/51/1192998151.db2.gz KAGNXFOGQSUFRW-LBPRGKRZSA-N -1 3 312.354 3.012 20 30 DGEDHM C=CCCC[C@@H](Nc1cc(-c2nnn[n-]2)cnn1)c1ccccc1 ZINC001602834385 1192999249 /nfs/dbraw/zinc/99/92/49/1192999249.db2.gz RLYJUGUBTISDJR-OAHLLOKOSA-N -1 3 321.388 3.166 20 30 DGEDHM C=CCCC[C@@H](Nc1cc(-c2nn[n-]n2)cnn1)c1ccccc1 ZINC001602834385 1192999251 /nfs/dbraw/zinc/99/92/51/1192999251.db2.gz RLYJUGUBTISDJR-OAHLLOKOSA-N -1 3 321.388 3.166 20 30 DGEDHM C=CCCCCOc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001602837705 1192999789 /nfs/dbraw/zinc/99/97/89/1192999789.db2.gz FRXVMQPTMFCACR-UHFFFAOYSA-N -1 3 323.194 3.364 20 30 DGEDHM C=CCCCCOc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001602837705 1192999793 /nfs/dbraw/zinc/99/97/93/1192999793.db2.gz FRXVMQPTMFCACR-UHFFFAOYSA-N -1 3 323.194 3.364 20 30 DGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1csc(Cl)c1 ZINC001602908221 1193001696 /nfs/dbraw/zinc/00/16/96/1193001696.db2.gz PAVFGPOCANOIMM-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1csc(Cl)c1 ZINC001602908221 1193001699 /nfs/dbraw/zinc/00/16/99/1193001699.db2.gz PAVFGPOCANOIMM-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM CC(C)(C#N)CCCCSc1ccc(-c2nnn[n-]2)cn1 ZINC001603034611 1193006119 /nfs/dbraw/zinc/00/61/19/1193006119.db2.gz LLMMEISILHNMSV-UHFFFAOYSA-N -1 3 302.407 3.074 20 30 DGEDHM CC(C)(C#N)CCCCSc1ccc(-c2nn[n-]n2)cn1 ZINC001603034611 1193006121 /nfs/dbraw/zinc/00/61/21/1193006121.db2.gz LLMMEISILHNMSV-UHFFFAOYSA-N -1 3 302.407 3.074 20 30 DGEDHM CC(C)(C)c1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001603539014 1193020009 /nfs/dbraw/zinc/02/00/09/1193020009.db2.gz WINYQAWDXGQNAM-UHFFFAOYSA-N -1 3 300.402 3.174 20 30 DGEDHM C[C@H](c1cccc(C#N)c1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001603735362 1193028683 /nfs/dbraw/zinc/02/86/83/1193028683.db2.gz QNAIHTQBQYLZBH-LLVKDONJSA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@H](c1cccc(C#N)c1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001603735362 1193028687 /nfs/dbraw/zinc/02/86/87/1193028687.db2.gz QNAIHTQBQYLZBH-LLVKDONJSA-N -1 3 322.347 3.075 20 30 DGEDHM C#CCO[N-]C(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC001300669556 1180854413 /nfs/dbraw/zinc/85/44/13/1180854413.db2.gz SVLMPGITCTXDRT-STQMWFEESA-N -1 3 314.410 3.251 20 30 DGEDHM C#CCO[N-]C(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC001300669554 1180855568 /nfs/dbraw/zinc/85/55/68/1180855568.db2.gz SVLMPGITCTXDRT-OLZOCXBDSA-N -1 3 314.410 3.251 20 30 DGEDHM CCC[C@@]1(C)CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001604154015 1193056668 /nfs/dbraw/zinc/05/66/68/1193056668.db2.gz RAPGYESFNIRRST-KRWDZBQOSA-N -1 3 310.405 3.145 20 30 DGEDHM CCC[C@@]1(C)CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001604154015 1193056671 /nfs/dbraw/zinc/05/66/71/1193056671.db2.gz RAPGYESFNIRRST-KRWDZBQOSA-N -1 3 310.405 3.145 20 30 DGEDHM CCCCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001604175687 1193058138 /nfs/dbraw/zinc/05/81/38/1193058138.db2.gz MERGUROUAOOUJQ-UHFFFAOYSA-N -1 3 320.368 3.410 20 30 DGEDHM CCCCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001604175687 1193058141 /nfs/dbraw/zinc/05/81/41/1193058141.db2.gz MERGUROUAOOUJQ-UHFFFAOYSA-N -1 3 320.368 3.410 20 30 DGEDHM CCCCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001604176624 1193058928 /nfs/dbraw/zinc/05/89/28/1193058928.db2.gz UETLEHPXMSVULQ-UHFFFAOYSA-N -1 3 320.372 3.098 20 30 DGEDHM CCCCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001604176624 1193058932 /nfs/dbraw/zinc/05/89/32/1193058932.db2.gz UETLEHPXMSVULQ-UHFFFAOYSA-N -1 3 320.372 3.098 20 30 DGEDHM C[C@@H](NCc1cccc(OCC#N)c1)c1cc(C(=O)[O-])cs1 ZINC001604346371 1193067553 /nfs/dbraw/zinc/06/75/53/1193067553.db2.gz DYKUZNTUPGDSOI-LLVKDONJSA-N -1 3 316.382 3.199 20 30 DGEDHM CN(Cc1ccccc1Cl)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001604819148 1193094698 /nfs/dbraw/zinc/09/46/98/1193094698.db2.gz VDAKWIXXUBFXLA-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccccc1Cl)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604819148 1193094703 /nfs/dbraw/zinc/09/47/03/1193094703.db2.gz VDAKWIXXUBFXLA-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM C=CCN(Cc1cccs1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001440884270 1182050444 /nfs/dbraw/zinc/05/04/44/1182050444.db2.gz YXRDZRCFLFIOIP-UHFFFAOYSA-N -1 3 305.374 3.350 20 30 DGEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001440884253 1182050880 /nfs/dbraw/zinc/05/08/80/1182050880.db2.gz YQHXUYFGVQZUTI-UHFFFAOYSA-N -1 3 315.394 3.485 20 30 DGEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1n[nH]cc1F ZINC001443912216 1182111693 /nfs/dbraw/zinc/11/16/93/1182111693.db2.gz OOGSVZVDONYAQW-SECBINFHSA-N -1 3 304.350 3.195 20 30 DGEDHM C=CCC(C)(C)CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001450196352 1182243241 /nfs/dbraw/zinc/24/32/41/1182243241.db2.gz LUKQYCHDZMBCOB-UHFFFAOYSA-N -1 3 320.339 3.138 20 30 DGEDHM C=CCCC1(CNC(=O)c2cc3c(cc2[O-])OCO3)CCCC1 ZINC001453347296 1182313886 /nfs/dbraw/zinc/31/38/86/1182313886.db2.gz PEBXYMDBQSGAPC-UHFFFAOYSA-N -1 3 317.385 3.377 20 30 DGEDHM N#Cc1cnc(C(=O)N([O-])Cc2ccccc2Cl)c(Cl)c1 ZINC001457993959 1182489233 /nfs/dbraw/zinc/48/92/33/1182489233.db2.gz ODNIMENBNPAGBG-UHFFFAOYSA-N -1 3 322.151 3.292 20 30 DGEDHM COC(=O)CC(C)(C)CC(=O)N([O-])CCCCc1ccccc1 ZINC001458006776 1182489800 /nfs/dbraw/zinc/48/98/00/1182489800.db2.gz ARKALSZPFICJEH-UHFFFAOYSA-N -1 3 321.417 3.207 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nc(Br)ccc1F ZINC001458012096 1182490180 /nfs/dbraw/zinc/49/01/80/1182490180.db2.gz RDDCQHHVNRNGLG-UHFFFAOYSA-N -1 3 319.174 3.395 20 30 DGEDHM Cn1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC001458015002 1182490291 /nfs/dbraw/zinc/49/02/91/1182490291.db2.gz BHPWRUMWXBZMOW-UHFFFAOYSA-N -1 3 316.254 3.215 20 30 DGEDHM CCCCCCN([O-])C(=O)C(C)(C)NC(=O)OC(C)(C)C ZINC001458013062 1182490412 /nfs/dbraw/zinc/49/04/12/1182490412.db2.gz ZYCDXZKZNUCLRS-UHFFFAOYSA-N -1 3 302.415 3.088 20 30 DGEDHM Cc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1C#N ZINC001605859981 1193180683 /nfs/dbraw/zinc/18/06/83/1193180683.db2.gz UCMBDCDIPKPVRP-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1C#N ZINC001605859981 1193180685 /nfs/dbraw/zinc/18/06/85/1193180685.db2.gz UCMBDCDIPKPVRP-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM COc1cc(CNc2cc(C)cc(C#N)c2)c([N+](=O)[O-])cc1[O-] ZINC001461581679 1182832246 /nfs/dbraw/zinc/83/22/46/1182832246.db2.gz NTOYJBKQPHWZCU-UHFFFAOYSA-N -1 3 313.313 3.101 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC001464073506 1183068295 /nfs/dbraw/zinc/06/82/95/1183068295.db2.gz LWGMSAMREXZIRU-UHFFFAOYSA-N -1 3 312.394 3.258 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2ccccc12 ZINC001606481840 1193200118 /nfs/dbraw/zinc/20/01/18/1193200118.db2.gz KGKZFBUHAXRZGZ-HJWRWDBZSA-N -1 3 315.336 3.244 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2ccccc12 ZINC001606481840 1193200120 /nfs/dbraw/zinc/20/01/20/1193200120.db2.gz KGKZFBUHAXRZGZ-HJWRWDBZSA-N -1 3 315.336 3.244 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1CCC2(CC2)CC1 ZINC001606380449 1193200190 /nfs/dbraw/zinc/20/01/90/1193200190.db2.gz ZJIFZNMEZNMJSJ-UHFFFAOYSA-N -1 3 308.389 3.121 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1CCC2(CC2)CC1 ZINC001606380449 1193200192 /nfs/dbraw/zinc/20/01/92/1193200192.db2.gz ZJIFZNMEZNMJSJ-UHFFFAOYSA-N -1 3 308.389 3.121 20 30 DGEDHM CC(C)c1nnsc1C(=O)N([O-])Cc1ccccc1Cl ZINC001472619707 1183655722 /nfs/dbraw/zinc/65/57/22/1183655722.db2.gz CVPLKPYQJJCBNJ-UHFFFAOYSA-N -1 3 311.794 3.347 20 30 DGEDHM O=C(c1cc([N+](=O)[O-])ccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC001472623374 1183658139 /nfs/dbraw/zinc/65/81/39/1183658139.db2.gz ZTSQWKPJDRZPDW-UHFFFAOYSA-N -1 3 324.695 3.419 20 30 DGEDHM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001608217904 1193284742 /nfs/dbraw/zinc/28/47/42/1193284742.db2.gz YNOMSHYELOHXAG-OAHLLOKOSA-N -1 3 300.745 3.127 20 30 DGEDHM C[C@H]1C(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C[C@@H]1C ZINC001609154907 1193326359 /nfs/dbraw/zinc/32/63/59/1193326359.db2.gz JONDNFCVUUYPLE-JGVFFNPUSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@H]1C(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C[C@@H]1C ZINC001609154907 1193326362 /nfs/dbraw/zinc/32/63/62/1193326362.db2.gz JONDNFCVUUYPLE-JGVFFNPUSA-N -1 3 324.310 3.329 20 30 DGEDHM C=C[C@H](N[C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)[O-] ZINC001609267484 1193332687 /nfs/dbraw/zinc/33/26/87/1193332687.db2.gz WLSQNOWOUZGPEW-HOCLYGCPSA-N -1 3 316.788 3.248 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001609417555 1193337998 /nfs/dbraw/zinc/33/79/98/1193337998.db2.gz ZMYGQDAGILYGMF-MDZDMXLPSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001609417555 1193337999 /nfs/dbraw/zinc/33/79/99/1193337999.db2.gz ZMYGQDAGILYGMF-MDZDMXLPSA-N -1 3 308.316 3.210 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC001609517983 1193343443 /nfs/dbraw/zinc/34/34/43/1193343443.db2.gz XYRRPHLANBAEOV-UTCJRWHESA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC001609517983 1193343446 /nfs/dbraw/zinc/34/34/46/1193343446.db2.gz XYRRPHLANBAEOV-UTCJRWHESA-N -1 3 316.773 3.478 20 30 DGEDHM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001609776602 1193355378 /nfs/dbraw/zinc/35/53/78/1193355378.db2.gz RNPZQKRUWAQZQG-UONOGXRCSA-N -1 3 324.380 3.433 20 30 DGEDHM CCCCCCN([O-])C(=O)CCCN(C)C(=O)OC(C)(C)C ZINC001611655529 1193439197 /nfs/dbraw/zinc/43/91/97/1193439197.db2.gz HJBCJOOYGQQJDV-UHFFFAOYSA-N -1 3 316.442 3.432 20 30 DGEDHM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N([O-])CCCC ZINC001611658103 1193439371 /nfs/dbraw/zinc/43/93/71/1193439371.db2.gz UZFKQUAGMVZPQB-CYBMUJFWSA-N -1 3 314.426 3.254 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1sc(C(C)(C)C)nc1C ZINC001517064338 1186800586 /nfs/dbraw/zinc/80/05/86/1186800586.db2.gz JINOOCQNCIQVCD-NSHDSACASA-N -1 3 316.430 3.456 20 30 DGEDHM C=CCC1(COC(=O)Cc2c(C)nc(C)[n-]c2=O)CCCCC1 ZINC001520014939 1186910147 /nfs/dbraw/zinc/91/01/47/1186910147.db2.gz MYUJMRHWWBLDMK-UHFFFAOYSA-N -1 3 318.417 3.411 20 30 DGEDHM CC(=O)c1cc(F)c([N-]C(=O)c2cscc2C#N)c(F)c1 ZINC001520655176 1186958972 /nfs/dbraw/zinc/95/89/72/1186958972.db2.gz RKEPZTPTGRLJMO-UHFFFAOYSA-N -1 3 306.293 3.353 20 30 DGEDHM N#C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC001615097109 1193516013 /nfs/dbraw/zinc/51/60/13/1193516013.db2.gz FJBVXEKIMKQDRI-CQSZACIVSA-N -1 3 318.735 3.108 20 30 DGEDHM N#Cc1c(F)cc(CNC(=O)c2cc([O-])ccc2Cl)cc1F ZINC001556317591 1188995059 /nfs/dbraw/zinc/99/50/59/1188995059.db2.gz FUDZBZMFCLIACY-UHFFFAOYSA-N -1 3 322.698 3.125 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccc(F)c(Br)c1 ZINC001559035194 1189164886 /nfs/dbraw/zinc/16/48/86/1189164886.db2.gz GTIZJLXUFADKKR-UHFFFAOYSA-N -1 3 304.159 3.149 20 30 DGEDHM C=C(CC)C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001622236920 1193891490 /nfs/dbraw/zinc/89/14/90/1193891490.db2.gz DXCBLWOCEAZHFO-UHFFFAOYSA-N -1 3 308.428 3.055 20 30 DGEDHM Cc1oc(C#N)cc1C(=O)Nc1cc([O-])cc(Br)c1 ZINC001624053354 1193978938 /nfs/dbraw/zinc/97/89/38/1193978938.db2.gz NMOTVDKUHZJISB-UHFFFAOYSA-N -1 3 321.130 3.180 20 30 DGEDHM Cc1nc(NC(=O)c2c(C)cccc2[O-])sc1SCC#N ZINC001626662883 1194088244 /nfs/dbraw/zinc/08/82/44/1194088244.db2.gz ZRKGXYILRHLTBM-UHFFFAOYSA-N -1 3 319.411 3.334 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCOc1cc(Cl)cc(Cl)c1 ZINC001628314743 1194172194 /nfs/dbraw/zinc/17/21/94/1194172194.db2.gz XQHCZSQFQDZGRR-UHFFFAOYSA-N -1 3 304.173 3.386 20 30 DGEDHM C=CCCONC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001630753683 1194302118 /nfs/dbraw/zinc/30/21/18/1194302118.db2.gz NEOILEVQCQYHFD-UHFFFAOYSA-N -1 3 311.381 3.415 20 30 DGEDHM C[C@H](C#N)CN(C(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC001633064607 1194419735 /nfs/dbraw/zinc/41/97/35/1194419735.db2.gz SIEBNPXLZMFPAG-SNVBAGLBSA-N -1 3 300.383 3.371 20 30 DGEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(CC)ccc1[O-] ZINC001634789246 1194515917 /nfs/dbraw/zinc/51/59/17/1194515917.db2.gz GYLCWVUGRMWOFG-UHFFFAOYSA-N -1 3 313.328 3.358 20 30 DGEDHM CCCCCC[C@](C)(CCC)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001636546212 1194619731 /nfs/dbraw/zinc/61/97/31/1194619731.db2.gz LUQHKOZWJVOGPP-PBHICJAKSA-N -1 3 312.454 3.260 20 30 DGEDHM C#C[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1ccc(Cl)cc1 ZINC001638458479 1194719737 /nfs/dbraw/zinc/71/97/37/1194719737.db2.gz ARJHTOONECDPPM-OAHLLOKOSA-N -1 3 315.756 3.159 20 30 DGEDHM O=C(Cn1ncc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001639054294 1194748321 /nfs/dbraw/zinc/74/83/21/1194748321.db2.gz FEVGSDLIIDYFTA-UHFFFAOYSA-N -1 3 315.760 3.108 20 30 DGEDHM O=C([C@@H]1COc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001639054187 1194748362 /nfs/dbraw/zinc/74/83/62/1194748362.db2.gz AKAHMLCGEVCGPI-CYBMUJFWSA-N -1 3 303.745 3.234 20 30 DGEDHM O=C(c1ccc2nccn2c1)N([O-])Cc1ccccc1Cl ZINC001639054565 1194748915 /nfs/dbraw/zinc/74/89/15/1194748915.db2.gz RGLPOXNBNNOSLH-UHFFFAOYSA-N -1 3 301.733 3.019 20 30 DGEDHM C[C@@H](CC(=O)N([O-])CCCCc1ccccc1)[C@@H]1CCCO1 ZINC001639062200 1194749245 /nfs/dbraw/zinc/74/92/45/1194749245.db2.gz FHRQUKSKIFZJJN-RDJZCZTQSA-N -1 3 305.418 3.432 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001639066924 1194749492 /nfs/dbraw/zinc/74/94/92/1194749492.db2.gz CRUSCZUTSQYOJB-CYBMUJFWSA-N -1 3 308.353 3.050 20 30 DGEDHM O=C([C@H]1Cc2cccnc2C1)N([O-])Cc1cccc2ccccc21 ZINC001639078985 1194749752 /nfs/dbraw/zinc/74/97/52/1194749752.db2.gz WUZOCFYZFCVXIP-KRWDZBQOSA-N -1 3 318.376 3.368 20 30 DGEDHM N#CCn1c(C(=O)N([O-])Cc2ccc(F)cc2)cc2ccccc21 ZINC001639078249 1194749834 /nfs/dbraw/zinc/74/98/34/1194749834.db2.gz FTMASMVVDCBURC-UHFFFAOYSA-N -1 3 323.327 3.336 20 30 DGEDHM O=C(c1ncsc1C(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC001639078701 1194749905 /nfs/dbraw/zinc/74/99/05/1194749905.db2.gz QEMQJKPIQCPYQN-UHFFFAOYSA-N -1 3 320.267 3.333 20 30 DGEDHM CC(C)(C)Oc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)nc1 ZINC001639079073 1194750123 /nfs/dbraw/zinc/75/01/23/1194750123.db2.gz YVZJTYHCPOGLTL-UHFFFAOYSA-N -1 3 318.348 3.430 20 30 DGEDHM CCCCN([O-])C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC001639072149 1194750130 /nfs/dbraw/zinc/75/01/30/1194750130.db2.gz WEZKGZILFOSRPC-ZDUSSCGKSA-N -1 3 316.442 3.334 20 30 DGEDHM CCc1ccc([O-])c(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)c1 ZINC001639802832 1194782739 /nfs/dbraw/zinc/78/27/39/1194782739.db2.gz DAYSNXNQGKHETP-UHFFFAOYSA-N -1 3 320.352 3.263 20 30 DGEDHM CSc1ccc([O-])c(C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC001640471131 1194815242 /nfs/dbraw/zinc/81/52/42/1194815242.db2.gz MEGLJJRZHXQQLF-UHFFFAOYSA-N -1 3 324.405 3.405 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1ccc(CC(C)C)cc1 ZINC001640634639 1194822781 /nfs/dbraw/zinc/82/27/81/1194822781.db2.gz ALNBHDKCWYIMDZ-CQSZACIVSA-N -1 3 303.402 3.470 20 30 DGEDHM N#Cc1sccc1C(=O)Nc1cc([O-])cc(Br)c1 ZINC001640657585 1194824357 /nfs/dbraw/zinc/82/43/57/1194824357.db2.gz CYXXXHMUOLETFV-UHFFFAOYSA-N -1 3 323.171 3.340 20 30 DGEDHM CCc1[nH]c(=O)c(C(=O)N([O-])Cc2ccccc2Cl)cc1C ZINC001641861760 1194875656 /nfs/dbraw/zinc/87/56/56/1194875656.db2.gz DBCJNOSECOHBSX-UHFFFAOYSA-N -1 3 320.776 3.343 20 30 DGEDHM Cc1nc(C(=O)N([O-])CCCCc2ccccc2)ccc1C#N ZINC001641861802 1194875818 /nfs/dbraw/zinc/87/58/18/1194875818.db2.gz FKHBRHFAOZPKRS-UHFFFAOYSA-N -1 3 309.369 3.116 20 30 DGEDHM CCCCN([O-])C(=O)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1 ZINC001651229289 1195428902 /nfs/dbraw/zinc/42/89/02/1195428902.db2.gz KIIZZPJUNJLLBQ-MRXNPFEDSA-N -1 3 314.426 3.042 20 30 DGEDHM N#Cc1ccc(C2(C(=O)N([O-])Cc3ccc(F)cc3)CC2)cc1 ZINC001651237851 1195431072 /nfs/dbraw/zinc/43/10/72/1195431072.db2.gz CLSXGNXRKGHBGH-UHFFFAOYSA-N -1 3 310.328 3.147 20 30 DGEDHM N#Cc1cc([N+](=O)[O-])c(NCc2c([O-])cccc2F)cc1F ZINC001652252067 1195570336 /nfs/dbraw/zinc/57/03/36/1195570336.db2.gz GNGNSNIIDCBSKA-UHFFFAOYSA-N -1 3 305.240 3.062 20 30 DGEDHM C=CCC[C@H](NCc1c([O-])cc(C)cc1Cl)C(=O)OCC ZINC001652482809 1195605004 /nfs/dbraw/zinc/60/50/04/1195605004.db2.gz GLBBHQKAYINMNN-AWEZNQCLSA-N -1 3 311.809 3.342 20 30 DGEDHM CCc1c(C(=O)N([O-])Cc2ccccc2Cl)cnn1CC ZINC001654814557 1195842813 /nfs/dbraw/zinc/84/28/13/1195842813.db2.gz YGLCECOSMCNYFV-UHFFFAOYSA-N -1 3 307.781 3.150 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCC1([C@@H]2CCCCO2)CCC1 ZINC001656379039 1196034322 /nfs/dbraw/zinc/03/43/22/1196034322.db2.gz YKFHPZDPTPMGHO-LBPRGKRZSA-N -1 3 309.435 3.001 20 30 DGEDHM C=CCCN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001659840885 1196420558 /nfs/dbraw/zinc/42/05/58/1196420558.db2.gz SCLSCOGUKKRJBS-LBPRGKRZSA-N -1 3 312.335 3.235 20 30 DGEDHM C#Cc1ccc(NC(=O)NCc2c([O-])cccc2F)c(Cl)c1 ZINC001674763937 1197865125 /nfs/dbraw/zinc/86/51/25/1197865125.db2.gz IWQRKFXFUFXYQL-UHFFFAOYSA-N -1 3 318.735 3.488 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1C ZINC000313462826 1199766309 /nfs/dbraw/zinc/76/63/09/1199766309.db2.gz KBVKZYKTCWWHEZ-UHFFFAOYSA-N -1 3 300.383 3.170 20 30 DGEDHM C=CCCCCNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001573335072 947472766 /nfs/dbraw/zinc/47/27/66/947472766.db2.gz KXIGJVAVVHVCHZ-UHFFFAOYSA-N -1 3 300.410 3.327 20 30 DGEDHM C=CCCCCNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001573335072 947472774 /nfs/dbraw/zinc/47/27/74/947472774.db2.gz KXIGJVAVVHVCHZ-UHFFFAOYSA-N -1 3 300.410 3.327 20 30 DGEDHM O=C([O-])CC[C@@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC001595012066 951252506 /nfs/dbraw/zinc/25/25/06/951252506.db2.gz KDPJCVOJEVXFGA-INIZCTEOSA-N -1 3 305.805 3.411 20 30 DGEDHM C#CC[C@@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001573303248 962673248 /nfs/dbraw/zinc/67/32/48/962673248.db2.gz NCDWGDLTBLDZBI-YGRLFVJLSA-N -1 3 312.196 3.464 20 30 DGEDHM CCC(CC)(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001595097899 979397350 /nfs/dbraw/zinc/39/73/50/979397350.db2.gz MCOVFZDMUWWRTF-UHFFFAOYSA-N -1 3 313.319 3.290 20 30 DGEDHM C#CC[C@H]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001588434288 983469518 /nfs/dbraw/zinc/46/95/18/983469518.db2.gz IUZXNKPHKXOIQR-IINYFYTJSA-N -1 3 312.196 3.464 20 30 DGEDHM C#CCN(Cc1ccccc1O[C@H](C)C(=O)[O-])C1CCCCC1 ZINC001588471186 983504958 /nfs/dbraw/zinc/50/49/58/983504958.db2.gz DCOKTOGVNWVAQK-OAHLLOKOSA-N -1 3 315.413 3.306 20 30 DGEDHM C=CC[C@@H](C(=O)[O-])N(C)Cc1ccc(F)cc1Br ZINC001588729560 983991321 /nfs/dbraw/zinc/99/13/21/983991321.db2.gz SGCURQONSJNVTL-LBPRGKRZSA-N -1 3 316.170 3.049 20 30 DGEDHM CCc1oc2ccccc2c1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001597807739 989420607 /nfs/dbraw/zinc/42/06/07/989420607.db2.gz IDNWURWSHRKPTO-UHFFFAOYSA-N -1 3 312.369 3.186 20 30 DGEDHM CN1CCc2c(C#N)c(Nc3cc([O-])cc(F)c3)sc2C1 ZINC001206760573 1081597140 /nfs/dbraw/zinc/59/71/40/1081597140.db2.gz UOPNMQRHNFSKEY-UHFFFAOYSA-N -1 3 303.362 3.196 20 30 DGEDHM C=C(C)CN(CC)c1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001167050105 1081598904 /nfs/dbraw/zinc/59/89/04/1081598904.db2.gz PFEFKLBMSBAFEI-MKMNVTDBSA-N -1 3 300.815 3.062 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2cnc(C(C)=O)s2)s1 ZINC001125351232 1081860995 /nfs/dbraw/zinc/86/09/95/1081860995.db2.gz GSISHAANMWBNFD-UHFFFAOYSA-N -1 3 305.384 3.094 20 30 DGEDHM CCSCc1cc(C(=O)[N-]c2cc(C#N)ccc2F)no1 ZINC001129603152 1082485832 /nfs/dbraw/zinc/48/58/32/1082485832.db2.gz NSHSWQAPKXTLIY-UHFFFAOYSA-N -1 3 305.334 3.191 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC001184305763 1084143919 /nfs/dbraw/zinc/14/39/19/1084143919.db2.gz PQRNEXYCWFBZET-UHFFFAOYSA-N -1 3 306.406 3.468 20 30 DGEDHM O=C(c1c[nH]c(=O)c2ccccc12)N([O-])Cc1ccc(F)cc1 ZINC001184348163 1084165581 /nfs/dbraw/zinc/16/55/81/1084165581.db2.gz MDRGIDIOHRZQRF-UHFFFAOYSA-N -1 3 312.300 3.111 20 30 DGEDHM CC(C)c1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC001185835374 1084535748 /nfs/dbraw/zinc/53/57/48/1084535748.db2.gz YLQTVPMRFOXLGF-UHFFFAOYSA-N -1 3 320.439 3.222 20 30 DGEDHM Cc1ccc(C)n1-c1ccc([O-])c(C(=O)Nc2[nH]ccc2C#N)c1 ZINC001186829308 1084710280 /nfs/dbraw/zinc/71/02/80/1084710280.db2.gz KUUUCSYHWGHVBJ-UHFFFAOYSA-N -1 3 320.352 3.252 20 30 DGEDHM CC(C)N1CC(Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001168316463 1087292022 /nfs/dbraw/zinc/29/20/22/1087292022.db2.gz ZBKVMDNCAQGKPO-NGYBGAFCSA-N -1 3 301.312 3.018 20 30 DGEDHM C=CCCC[C@H](C(=O)Nc1nnc(OCC)[n-]1)c1ccccc1 ZINC001152342264 1087954505 /nfs/dbraw/zinc/95/45/05/1087954505.db2.gz MVQUNGIOPTVKHM-AWEZNQCLSA-N -1 3 314.389 3.282 20 30 DGEDHM C=CCCC[C@H](C(=O)Nc1n[n-]c(OCC)n1)c1ccccc1 ZINC001152342264 1087954519 /nfs/dbraw/zinc/95/45/19/1087954519.db2.gz MVQUNGIOPTVKHM-AWEZNQCLSA-N -1 3 314.389 3.282 20 30 DGEDHM C=CCCC[C@H](C(=O)Nc1nc(OCC)n[n-]1)c1ccccc1 ZINC001152342264 1087954536 /nfs/dbraw/zinc/95/45/36/1087954536.db2.gz MVQUNGIOPTVKHM-AWEZNQCLSA-N -1 3 314.389 3.282 20 30 DGEDHM Cc1c(Cl)c(Cl)nc(NCc2ncccc2[O-])c1C#N ZINC001158770735 1088020289 /nfs/dbraw/zinc/02/02/89/1088020289.db2.gz JUGWBLBBLDXOTG-UHFFFAOYSA-N -1 3 309.156 3.281 20 30 DGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1ccnc2cccnc21 ZINC001154299681 1088557895 /nfs/dbraw/zinc/55/78/95/1088557895.db2.gz XOIKZAMGVBXGKI-UHFFFAOYSA-N -1 3 314.304 3.500 20 30 DGEDHM CCCN(CCC)c1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001155179476 1088992118 /nfs/dbraw/zinc/99/21/18/1088992118.db2.gz NAJLUIIWDXHTRV-RIYZIHGNSA-N -1 3 302.831 3.286 20 30 DGEDHM COc1cnc(F)c(C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001649051872 1090578090 /nfs/dbraw/zinc/57/80/90/1090578090.db2.gz JLWCUBVGRDCPQU-UHFFFAOYSA-N -1 3 318.348 3.084 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC[C@@H](C)[C@H]2C)n1 ZINC001166611171 1090629340 /nfs/dbraw/zinc/62/93/40/1090629340.db2.gz RPKNMPOFVKSGQB-BYNQCWIMSA-N -1 3 314.842 3.285 20 30 DGEDHM C#CCOc1ccc(F)cc1NC(=O)c1cccc(CC)c1[O-] ZINC001294180636 1091356362 /nfs/dbraw/zinc/35/63/62/1091356362.db2.gz LSGHUVVYRGXHDA-UHFFFAOYSA-N -1 3 313.328 3.358 20 30 DGEDHM CC#CC[C@H](NCc1ccc(F)c(Cl)c1Cl)C(=O)[O-] ZINC001119615509 1091575483 /nfs/dbraw/zinc/57/54/83/1091575483.db2.gz MVLJJARUSQRYLI-JTQLQIEISA-N -1 3 304.148 3.089 20 30 DGEDHM N#Cc1ccccc1OC1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140342668 1091836114 /nfs/dbraw/zinc/83/61/14/1091836114.db2.gz TWNIDGIECFPAGO-UHFFFAOYSA-N -1 3 314.772 3.180 20 30 DGEDHM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC001208465649 1092364167 /nfs/dbraw/zinc/36/41/67/1092364167.db2.gz ZWCGFZNTLMWSRQ-NSHDSACASA-N -1 3 321.874 3.338 20 30 DGEDHM N#Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1F ZINC001142237713 1092446061 /nfs/dbraw/zinc/44/60/61/1092446061.db2.gz HYJWEADKEBZHHX-UHFFFAOYSA-N -1 3 320.323 3.486 20 30 DGEDHM Cc1nc2ccccc2c(C(=O)N[C@H](C#N)c2ccccc2)c1[O-] ZINC001149185199 1092667063 /nfs/dbraw/zinc/66/70/63/1092667063.db2.gz AOKWSVAMVJINMT-MRXNPFEDSA-N -1 3 317.348 3.244 20 30 DGEDHM N#Cc1cc(N)c(Nc2ccc([O-])c(C(F)(F)F)c2)cc1C#N ZINC001209987591 1093006587 /nfs/dbraw/zinc/00/65/87/1093006587.db2.gz VNQPSQJUKMFQTM-UHFFFAOYSA-N -1 3 318.258 3.480 20 30 DGEDHM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(F)cc1[O-] ZINC001210020827 1093020131 /nfs/dbraw/zinc/02/01/31/1093020131.db2.gz OSQVWXPTMLGHNA-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM N#Cc1ncc(Br)cc1Nc1cccc(F)c1[O-] ZINC001210195000 1093074350 /nfs/dbraw/zinc/07/43/50/1093074350.db2.gz JMTKOJTWMYURJI-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM C#Cc1nc(Br)cnc1Nc1cccc(Cl)c1[O-] ZINC001210215483 1093081018 /nfs/dbraw/zinc/08/10/18/1093081018.db2.gz GXMIKXOZBHWZNJ-UHFFFAOYSA-N -1 3 324.565 3.323 20 30 DGEDHM COC(=O)c1cc(C#N)ccc1Nc1cccc(Cl)c1[O-] ZINC001210223197 1093084309 /nfs/dbraw/zinc/08/43/09/1093084309.db2.gz NSYMYCXCOIMDFV-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM Cc1cc(C#N)ccc1Nc1nc(Br)ccc1[O-] ZINC001210371307 1093143403 /nfs/dbraw/zinc/14/34/03/1093143403.db2.gz NIYAJJAFEPJIGA-UHFFFAOYSA-N -1 3 304.147 3.473 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1cc(C)cc(C#N)c1 ZINC001210391042 1093151678 /nfs/dbraw/zinc/15/16/78/1093151678.db2.gz GZTVVCDGXGMIJI-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM N#Cc1cc(Nc2cccc([O-])c2Br)ccc1O ZINC001210535170 1093199516 /nfs/dbraw/zinc/19/95/16/1093199516.db2.gz ZRXSTMBBDMBGML-UHFFFAOYSA-N -1 3 305.131 3.476 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(C)c(C#N)c1 ZINC001216077126 1094118426 /nfs/dbraw/zinc/11/84/26/1094118426.db2.gz YXKFYNBSWNWXMI-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM COc1ncc(Nc2ccc(Br)cc2C#N)cc1[O-] ZINC001216208817 1094146721 /nfs/dbraw/zinc/14/67/21/1094146721.db2.gz XQZQXBNWGQEHLI-UHFFFAOYSA-N -1 3 320.146 3.174 20 30 DGEDHM CC(C)n1ncc2cc(C([O-])=C(C#N)c3cccc(F)n3)cnc21 ZINC001122713675 1095041315 /nfs/dbraw/zinc/04/13/15/1095041315.db2.gz CNXZMESBRLUAIY-CYBMUJFWSA-N -1 3 323.331 3.036 20 30 DGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)nc1 ZINC001117514968 1095777171 /nfs/dbraw/zinc/77/71/71/1095777171.db2.gz ODJKXZMDTSZJDN-UHFFFAOYSA-N -1 3 321.714 3.015 20 30 DGEDHM N#Cc1sc(-c2ccc(F)cc2)cc1[N-]C(=O)c1ncccn1 ZINC001147407717 1096220454 /nfs/dbraw/zinc/22/04/54/1096220454.db2.gz ZRAUEBJDROXSNA-UHFFFAOYSA-N -1 3 324.340 3.468 20 30 DGEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001148224621 1096329258 /nfs/dbraw/zinc/32/92/58/1096329258.db2.gz QYODRCMJPDEGFP-LBPRGKRZSA-N -1 3 313.353 3.154 20 30 DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(C)cc(=O)c2C#N)O1 ZINC001225469218 1096439699 /nfs/dbraw/zinc/43/96/99/1096439699.db2.gz IFIBWRNUQBTJSG-RHSMWYFYSA-N -1 3 302.374 3.248 20 30 DGEDHM CC(C)Oc1ccc2ccccc2c1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171369041 1096542195 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323.396 3.083 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190941756 432203915 /nfs/dbraw/zinc/20/39/15/432203915.db2.gz XOTIDAYVLYELRS-AWEZNQCLSA-N -1 3 303.321 3.128 20 30 DGEDHM N#CC(=C([O-])c1cccc(OC[C@@H]2CCCO2)c1)c1ccccn1 ZINC000073970457 226827032 /nfs/dbraw/zinc/82/70/32/226827032.db2.gz GCECPERYOZJGJU-IRXDYDNUSA-N -1 3 322.364 3.129 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000160768911 228248822 /nfs/dbraw/zinc/24/88/22/228248822.db2.gz UTLYVPLTMOMHRD-UHFFFAOYSA-N -1 3 312.822 3.213 20 30 DGEDHM N#C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1F ZINC000357444236 229348922 /nfs/dbraw/zinc/34/89/22/229348922.db2.gz PIZYVFYSNNURED-OAHLLOKOSA-N -1 3 318.735 3.108 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Cl)cc3)nc1-2 ZINC000357663399 229352424 /nfs/dbraw/zinc/35/24/24/229352424.db2.gz KTFGLIREXUNIFZ-LBPRGKRZSA-N -1 3 310.744 3.410 20 30 DGEDHM Cn1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000357781519 229353607 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CCN(CC)c1ccc(/C=N/c2ccc3c(c2)CC(=O)N3)c([O-])c1 ZINC000113771362 431363457 /nfs/dbraw/zinc/36/34/57/431363457.db2.gz LPVBVVIWGBOTPO-UDWIEESQSA-N -1 3 323.396 3.484 20 30 DGEDHM Cn1cccc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114619652 431400483 /nfs/dbraw/zinc/40/04/83/431400483.db2.gz RUBGJSLCOVLIMR-GFCCVEGCSA-N -1 3 308.366 3.034 20 30 DGEDHM N#Cc1cc(F)ccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000117115549 431545183 /nfs/dbraw/zinc/54/51/83/431545183.db2.gz SYXTUKBIQKGJNL-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#CC(=C([O-])c1ccccc1OC[C@@H]1CCCO1)c1ccccn1 ZINC000078732636 431701360 /nfs/dbraw/zinc/70/13/60/431701360.db2.gz WDBWXWQGKLPTIN-GOEBONIOSA-N -1 3 322.364 3.129 20 30 DGEDHM C=CCN(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000121148174 431746312 /nfs/dbraw/zinc/74/63/12/431746312.db2.gz RIYFMYNZDXZDFV-UHFFFAOYSA-N -1 3 311.410 3.269 20 30 DGEDHM C=CCCO[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081459037 431792049 /nfs/dbraw/zinc/79/20/49/431792049.db2.gz KCIKDVJVHUSIAZ-SECBINFHSA-N -1 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N#Cc1c([N-]C(=O)c2cncc(Cl)n2)sc2c1CCCC2 ZINC000236078867 432746402 /nfs/dbraw/zinc/74/64/02/432746402.db2.gz PHZVNCBJPMASBM-UHFFFAOYSA-N -1 3 318.789 3.194 20 30 DGEDHM C=CCCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000280108836 433001315 /nfs/dbraw/zinc/00/13/15/433001315.db2.gz NOHABFGEHNSJIM-UHFFFAOYSA-N -1 3 322.792 3.166 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)(F)F)nc2)nc(C)n1 ZINC000453587502 433217180 /nfs/dbraw/zinc/21/71/80/433217180.db2.gz XTBDFPJGPSHKCO-GFCCVEGCSA-N -1 3 316.311 3.090 20 30 DGEDHM N#CC(=C([O-])c1ccnc(C2CC2)c1)c1cnc2ccccc2n1 ZINC000361541354 433231615 /nfs/dbraw/zinc/23/16/15/433231615.db2.gz OJYVKAQSDVLKCA-CQSZACIVSA-N -1 3 314.348 3.392 20 30 DGEDHM CC[C@@H](C)CON=C([O-])Nc1cc(C#N)ccc1OC(C)C ZINC000291699396 433317614 /nfs/dbraw/zinc/31/76/14/433317614.db2.gz FFVFSSNMFKQVQL-GFCCVEGCSA-N -1 3 305.378 3.445 20 30 DGEDHM CC[C@@H](C)CO[N-]C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000291699396 433317623 /nfs/dbraw/zinc/31/76/23/433317623.db2.gz FFVFSSNMFKQVQL-GFCCVEGCSA-N -1 3 305.378 3.445 20 30 DGEDHM COc1ccc([C@@H](CCC(=O)[O-])NCc2cccc(C#N)c2)cc1 ZINC000426759103 433585960 /nfs/dbraw/zinc/58/59/60/433585960.db2.gz LEOBXCKTOXNLFZ-GOSISDBHSA-N -1 3 324.380 3.263 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1csc(Br)c1 ZINC000293454626 433745755 /nfs/dbraw/zinc/74/57/55/433745755.db2.gz KUWRIGYUKUAXRV-UHFFFAOYSA-N -1 3 310.163 3.338 20 30 DGEDHM C=C[C@@H]1CCCCN1C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000429463343 433773350 /nfs/dbraw/zinc/77/33/50/433773350.db2.gz GIZJSWGFTUMKSI-CQSZACIVSA-N -1 3 310.397 3.326 20 30 DGEDHM Cc1oc(C#N)cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000436148146 433890501 /nfs/dbraw/zinc/89/05/01/433890501.db2.gz OERLGHIBQRTUFH-UHFFFAOYSA-N -1 3 321.130 3.180 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1ccc([O-])c(F)c1 ZINC000416337024 434102782 /nfs/dbraw/zinc/10/27/82/434102782.db2.gz BWUKIDGMHPJJRS-QGZVFWFLSA-N -1 3 324.355 3.139 20 30 DGEDHM CCc1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c([O-])c1 ZINC000436835792 434130257 /nfs/dbraw/zinc/13/02/57/434130257.db2.gz FLYVBRVJDKMXBU-FQEVSTJZSA-N -1 3 320.392 3.136 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCC23CCCC3)s1 ZINC000314622707 434144781 /nfs/dbraw/zinc/14/47/81/434144781.db2.gz DLHJWRCLDNHALY-ZDUSSCGKSA-N -1 3 324.471 3.401 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)s1 ZINC000314622706 434146148 /nfs/dbraw/zinc/14/61/48/434146148.db2.gz DLHJWRCLDNHALY-CYBMUJFWSA-N -1 3 324.471 3.401 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000416944108 434256677 /nfs/dbraw/zinc/25/66/77/434256677.db2.gz CXEMMLOKJUVIBG-SNVBAGLBSA-N -1 3 306.309 3.058 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCCC(C)C)cc1 ZINC000416944708 434257383 /nfs/dbraw/zinc/25/73/83/434257383.db2.gz DNWHNNVFLXABNI-OAHLLOKOSA-N -1 3 310.419 3.155 20 30 DGEDHM COCCCO[N-]C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000286844756 434294456 /nfs/dbraw/zinc/29/44/56/434294456.db2.gz APNFZEMNWFMOFF-GFCCVEGCSA-N -1 3 323.418 3.170 20 30 DGEDHM O=C([N-]c1cc2c(cc1F)NC(=O)CC2)c1cc(C2CC2)no1 ZINC000328704988 434302336 /nfs/dbraw/zinc/30/23/36/434302336.db2.gz KWWVAZAZISRESL-UHFFFAOYSA-N -1 3 315.304 3.212 20 30 DGEDHM O=C([N-]c1nnc2n1CCCC2)c1coc(C2CCCCC2)n1 ZINC000328755485 434305153 /nfs/dbraw/zinc/30/51/53/434305153.db2.gz SXZBGBSCEOMDQI-UHFFFAOYSA-N -1 3 315.377 3.286 20 30 DGEDHM N#Cc1ccc(CNCC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC000417545850 434430715 /nfs/dbraw/zinc/43/07/15/434430715.db2.gz KUGXHBPYVIQEHZ-UHFFFAOYSA-N -1 3 304.365 3.212 20 30 DGEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)c(F)c1)c1ccncn1 ZINC000439582184 434625504 /nfs/dbraw/zinc/62/55/04/434625504.db2.gz RIUUJSAVIAVIQI-VIFPVBQESA-N -1 3 309.222 3.125 20 30 DGEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440388237 434698886 /nfs/dbraw/zinc/69/88/86/434698886.db2.gz IGFFUYRHOXCGMJ-JTQLQIEISA-N -1 3 308.790 3.074 20 30 DGEDHM N#CCCC[C@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000492851098 435061849 /nfs/dbraw/zinc/06/18/49/435061849.db2.gz HOCPUAFYBSKYLB-LPADLIQXSA-N -1 3 321.380 3.352 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1c(C)nn(CCCC)c1Cl ZINC000493259582 435136039 /nfs/dbraw/zinc/13/60/39/435136039.db2.gz NTJJXZYMTPRKLM-IQQGHNRFSA-N -1 3 311.813 3.281 20 30 DGEDHM C=CCOc1ccc(/C=C/C(=O)[N-]OC/C=C\Cl)cc1OC ZINC000493353331 435154458 /nfs/dbraw/zinc/15/44/58/435154458.db2.gz NPESPDLTNTUTTI-ZZVMGALASA-N -1 3 323.776 3.074 20 30 DGEDHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000561341225 435211810 /nfs/dbraw/zinc/21/18/10/435211810.db2.gz UAJCLRGEHVHRJS-HNNXBMFYSA-N -1 3 318.398 3.217 20 30 DGEDHM CC#CCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000476530946 435238554 /nfs/dbraw/zinc/23/85/54/435238554.db2.gz HOUHIHQBJRYGSX-UHFFFAOYSA-N -1 3 307.802 3.185 20 30 DGEDHM C=C1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000565409466 435280096 /nfs/dbraw/zinc/28/00/96/435280096.db2.gz YDAFXNNNVDWEQS-UHFFFAOYSA-N -1 3 324.384 3.342 20 30 DGEDHM C=CCN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000566646426 435288576 /nfs/dbraw/zinc/28/85/76/435288576.db2.gz LLUKFQKQEZBHNY-UHFFFAOYSA-N -1 3 322.324 3.304 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc([C@H]3CCOC3)c2)nc(C)n1 ZINC000535650720 435341613 /nfs/dbraw/zinc/34/16/13/435341613.db2.gz LAYYEZULZCVOHO-IRXDYDNUSA-N -1 3 321.380 3.087 20 30 DGEDHM CCC[C@@H](C#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000537638783 435457922 /nfs/dbraw/zinc/45/79/22/435457922.db2.gz VTNQNIRDEAENDM-HNNXBMFYSA-N -1 3 324.380 3.393 20 30 DGEDHM C#CCN(CC)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000490873077 435686226 /nfs/dbraw/zinc/68/62/26/435686226.db2.gz HIEXXMDDMRANOT-UHFFFAOYSA-N -1 3 309.365 3.067 20 30 DGEDHM C#C[C@H](CCC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000491193194 435713864 /nfs/dbraw/zinc/71/38/64/435713864.db2.gz WQXXIQPAXSXSSH-CQSZACIVSA-N -1 3 324.384 3.081 20 30 DGEDHM C=CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC000646215613 435812207 /nfs/dbraw/zinc/81/22/07/435812207.db2.gz CHZAZQYABBLHDF-UHFFFAOYSA-N -1 3 311.337 3.412 20 30 DGEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000661413567 436060100 /nfs/dbraw/zinc/06/01/00/436060100.db2.gz FECRPMPEAXJWQX-DZGCQCFKSA-N -1 3 306.381 3.465 20 30 DGEDHM Cn1ncc(C2CC2)c1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000659114729 436462216 /nfs/dbraw/zinc/46/22/16/436462216.db2.gz GGWBWAHTKONKRK-OAHLLOKOSA-N -1 3 316.364 3.336 20 30 DGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C/c1cncc([O-])c1 ZINC000179442827 331524404 /nfs/dbraw/zinc/52/44/04/331524404.db2.gz KSFNFDLAXGUBDX-RMKNXTFCSA-N -1 3 324.380 3.024 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](CC)[C@@H](O)c1c(F)cccc1F ZINC000293573498 335109212 /nfs/dbraw/zinc/10/92/12/335109212.db2.gz BVOAMESDHQPYAP-DGCLKSJQSA-N -1 3 319.298 3.104 20 30 DGEDHM C=CCN(Cc1cccs1)C(=O)/C=C/c1cncc([O-])c1 ZINC000181859544 333131035 /nfs/dbraw/zinc/13/10/35/333131035.db2.gz DNZJFFQHRDWVSG-AATRIKPKSA-N -1 3 300.383 3.077 20 30 DGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000393793559 337093888 /nfs/dbraw/zinc/09/38/88/337093888.db2.gz GPFKPUCPYDJJSV-QMMMGPOBSA-N -1 3 324.265 3.144 20 30 DGEDHM CC1(C)CCCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)[C@H]1C#N ZINC000459429925 339028688 /nfs/dbraw/zinc/02/86/88/339028688.db2.gz QOFBMLKOAGNGDP-INIZCTEOSA-N -1 3 322.412 3.363 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1cccc(OC(C)(C)C)n1 ZINC000507371269 340218280 /nfs/dbraw/zinc/21/82/80/340218280.db2.gz YWNFNPXMUBQYRE-UHFFFAOYSA-N -1 3 320.418 3.034 20 30 DGEDHM C=CCN(CC=C)[C@H](CNCc1c(F)ccc([O-])c1F)C(C)C ZINC000509850176 340281452 /nfs/dbraw/zinc/28/14/52/340281452.db2.gz FDVYJAWQFILMSN-MRXNPFEDSA-N -1 3 324.415 3.459 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000551473660 341342550 /nfs/dbraw/zinc/34/25/50/341342550.db2.gz PCUYIHKMUVXXPO-UHFFFAOYSA-N -1 3 312.391 3.210 20 30 DGEDHM Cc1ccc2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)ccc2n1 ZINC000340187214 534465680 /nfs/dbraw/zinc/46/56/80/534465680.db2.gz WBPUYEGQOSCLTF-INIZCTEOSA-N -1 3 316.364 3.440 20 30 DGEDHM N#Cc1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000413001572 534796487 /nfs/dbraw/zinc/79/64/87/534796487.db2.gz DCLKSZDTKKVJEB-UHFFFAOYSA-N -1 3 301.733 3.164 20 30 DGEDHM C=CCOc1cccnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000342273070 526968173 /nfs/dbraw/zinc/96/81/73/526968173.db2.gz UIGPTOUEZNPWRQ-UHFFFAOYSA-N -1 3 304.733 3.258 20 30 DGEDHM C=CCOc1cccnc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000341935289 526969628 /nfs/dbraw/zinc/96/96/28/526969628.db2.gz YUUPGPXMTKUZSE-UHFFFAOYSA-N -1 3 318.402 3.048 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc1[O-] ZINC000331355482 527222690 /nfs/dbraw/zinc/22/26/90/527222690.db2.gz QRZRNRWKTCCUEE-CZUORRHYSA-N -1 3 305.374 3.103 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCCc1c(F)cccc1Cl ZINC000348124717 527332814 /nfs/dbraw/zinc/33/28/14/527332814.db2.gz SZOPMQDZYORVNE-UHFFFAOYSA-N -1 3 313.785 3.297 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1ccccc1OC(F)F ZINC000348120519 527333210 /nfs/dbraw/zinc/33/32/10/527333210.db2.gz OGYJODDBQJMRGY-UHFFFAOYSA-N -1 3 313.329 3.063 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1ncc(-c2ccccc2)o1 ZINC000348120346 527334155 /nfs/dbraw/zinc/33/41/55/527334155.db2.gz NOPLLFATXZFVAI-UHFFFAOYSA-N -1 3 314.370 3.117 20 30 DGEDHM C=CCN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CC1 ZINC000444296464 527549323 /nfs/dbraw/zinc/54/93/23/527549323.db2.gz ZVVWOVHERYDLEL-UHFFFAOYSA-N -1 3 321.376 3.414 20 30 DGEDHM C=CCN(CC=C)Cc1ccc(OC)c([O-])c1Br ZINC000355389810 527643402 /nfs/dbraw/zinc/64/34/02/527643402.db2.gz VSUZNOIFMZIXLO-UHFFFAOYSA-N -1 3 312.207 3.337 20 30 DGEDHM CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCC1 ZINC000443074651 527985967 /nfs/dbraw/zinc/98/59/67/527985967.db2.gz SZBDICVFWRWCPL-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM CCCCCCCCc1nnc([N-]C(=O)c2ccnnc2)s1 ZINC000154286876 528132800 /nfs/dbraw/zinc/13/28/00/528132800.db2.gz BERZNYOSTHIPOY-UHFFFAOYSA-N -1 3 319.434 3.483 20 30 DGEDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443042109 528922858 /nfs/dbraw/zinc/92/28/58/528922858.db2.gz YGMVJSRHKNHIRS-GFCCVEGCSA-N -1 3 300.811 3.069 20 30 DGEDHM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183576794 528922893 /nfs/dbraw/zinc/92/28/93/528922893.db2.gz NTLDICZIVIXDOB-LLVKDONJSA-N -1 3 300.811 3.069 20 30 DGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000683688671 549518593 /nfs/dbraw/zinc/51/85/93/549518593.db2.gz FHACBFATPYMCFN-CYBMUJFWSA-N -1 3 320.352 3.235 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@@H](O)c1c(F)cccc1Cl ZINC000741165018 574531228 /nfs/dbraw/zinc/53/12/28/574531228.db2.gz DGJZOSCEWKMDKN-VLUPQXHSSA-N -1 3 323.751 3.346 20 30 DGEDHM N#Cc1ccc(CSc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000737718203 574533121 /nfs/dbraw/zinc/53/31/21/574533121.db2.gz LWNLINSLSAPUPZ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(CSc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000737718203 574533122 /nfs/dbraw/zinc/53/31/22/574533122.db2.gz LWNLINSLSAPUPZ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(SCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737722206 574547380 /nfs/dbraw/zinc/54/73/80/574547380.db2.gz FUGYWFCFUWNXKX-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(SCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737722206 574547381 /nfs/dbraw/zinc/54/73/81/574547381.db2.gz FUGYWFCFUWNXKX-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM CC(C)c1ocnc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000731957317 574563620 /nfs/dbraw/zinc/56/36/20/574563620.db2.gz VTBSZLQRFFSSPX-UHFFFAOYSA-N -1 3 301.371 3.472 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNCc1ccccc1Cl)C(=O)[N-]2 ZINC000732712696 574579847 /nfs/dbraw/zinc/57/98/47/574579847.db2.gz NWYIRCLKBNZOFY-UHFFFAOYSA-N -1 3 317.751 3.234 20 30 DGEDHM Cc1noc(COc2ccc(N=Cc3ccccc3[O-])cc2)n1 ZINC000733903621 574642345 /nfs/dbraw/zinc/64/23/45/574642345.db2.gz MSEFACQSCLRLPB-UHFFFAOYSA-N -1 3 309.325 3.413 20 30 DGEDHM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1c(F)cccc1F ZINC000735615941 574709566 /nfs/dbraw/zinc/70/95/66/574709566.db2.gz ZRLKUJYTZATZMI-UHFFFAOYSA-N -1 3 301.296 3.350 20 30 DGEDHM C[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736260061 574738997 /nfs/dbraw/zinc/73/89/97/574738997.db2.gz HEXGMKFDCVDOIW-QMMMGPOBSA-N -1 3 324.310 3.473 20 30 DGEDHM C[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736260061 574739000 /nfs/dbraw/zinc/73/90/00/574739000.db2.gz HEXGMKFDCVDOIW-QMMMGPOBSA-N -1 3 324.310 3.473 20 30 DGEDHM CCC(=NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC)c1 ZINC000736302412 574741475 /nfs/dbraw/zinc/74/14/75/574741475.db2.gz FKNYXNWFNGAKSA-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC)c1 ZINC000736302412 574741478 /nfs/dbraw/zinc/74/14/78/574741478.db2.gz FKNYXNWFNGAKSA-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CCC(Cc1cccs1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736348932 574745295 /nfs/dbraw/zinc/74/52/95/574745295.db2.gz CASZODDUEBAWRN-UHFFFAOYSA-N -1 3 312.402 3.349 20 30 DGEDHM CCC(Cc1cccs1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736348932 574745296 /nfs/dbraw/zinc/74/52/96/574745296.db2.gz CASZODDUEBAWRN-UHFFFAOYSA-N -1 3 312.402 3.349 20 30 DGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1C#N ZINC000736818681 574807554 /nfs/dbraw/zinc/80/75/54/574807554.db2.gz UQELJOWULHYZTQ-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1C#N ZINC000736818681 574807555 /nfs/dbraw/zinc/80/75/55/574807555.db2.gz UQELJOWULHYZTQ-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737195118 574826776 /nfs/dbraw/zinc/82/67/76/574826776.db2.gz KFRMAZBSVUIDDK-ACJLOTCBSA-N -1 3 324.380 3.433 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737330469 574838623 /nfs/dbraw/zinc/83/86/23/574838623.db2.gz REGUOTACYHNPHH-RUDMXATFSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737330469 574838624 /nfs/dbraw/zinc/83/86/24/574838624.db2.gz REGUOTACYHNPHH-RUDMXATFSA-N -1 3 308.316 3.210 20 30 DGEDHM O=C(C=Cc1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000737798482 574855363 /nfs/dbraw/zinc/85/53/63/574855363.db2.gz LFTUYSQWERWTFB-BQYQJAHWSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000737798482 574855364 /nfs/dbraw/zinc/85/53/64/574855364.db2.gz LFTUYSQWERWTFB-BQYQJAHWSA-N -1 3 312.279 3.041 20 30 DGEDHM c1ccc(C(CC2CC2)=NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738427984 574868883 /nfs/dbraw/zinc/86/88/83/574868883.db2.gz ZWBKZCVCAXQYFX-UHFFFAOYSA-N -1 3 318.384 3.483 20 30 DGEDHM c1ccc(C(CC2CC2)=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738427984 574868887 /nfs/dbraw/zinc/86/88/87/574868887.db2.gz ZWBKZCVCAXQYFX-UHFFFAOYSA-N -1 3 318.384 3.483 20 30 DGEDHM COc1cccc([O-])c1C=Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000739426519 574902864 /nfs/dbraw/zinc/90/28/64/574902864.db2.gz MUROWVHBEWEZHP-OAHLLOKOSA-N -1 3 313.353 3.319 20 30 DGEDHM CC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1cc(F)ccc1F ZINC000740763254 574941743 /nfs/dbraw/zinc/94/17/43/574941743.db2.gz DFCYEXSNIMAFKP-ITFLWDOHSA-N -1 3 320.339 3.436 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@H](C)Oc1ccccc1OC ZINC000743043794 575033063 /nfs/dbraw/zinc/03/30/63/575033063.db2.gz ACXYKEVIFYWGRJ-QXGSTRBFSA-N -1 3 315.369 3.296 20 30 DGEDHM CC[C@H]1CCCC(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000743448417 575051803 /nfs/dbraw/zinc/05/18/03/575051803.db2.gz ODXLVFYRSKJANQ-AWEZNQCLSA-N -1 3 308.447 3.105 20 30 DGEDHM CCC(C[C@H](C)CC)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449425 575051924 /nfs/dbraw/zinc/05/19/24/575051924.db2.gz WHVAXQUXIGCPSV-CQSZACIVSA-N -1 3 310.463 3.351 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C ZINC000744033938 575069466 /nfs/dbraw/zinc/06/94/66/575069466.db2.gz YYZYGLJJVNJWAE-UKVQZPPCSA-N -1 3 314.385 3.335 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@H](O)c1ccccc1Cl ZINC000740763233 575218267 /nfs/dbraw/zinc/21/82/67/575218267.db2.gz CSBOWWYSVBCQLO-UPAIAECRSA-N -1 3 305.761 3.207 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2cccc3ccccc32)c1[O-] ZINC000745624414 575407126 /nfs/dbraw/zinc/40/71/26/575407126.db2.gz KICGOHUAXGQGFN-JAIQZWGSSA-N -1 3 306.365 3.360 20 30 DGEDHM CCOc1ccc(/C=N\[C@@H](C)c2nnc3ccccn32)c([O-])c1 ZINC000745990742 575426493 /nfs/dbraw/zinc/42/64/93/575426493.db2.gz IFJMMTRPZIDCDS-SJWFJVLYSA-N -1 3 310.357 3.014 20 30 DGEDHM [O-]c1c(O)ccc(/C=N\CCc2c[nH]c3cc(F)ccc23)c1O ZINC000747615472 575527249 /nfs/dbraw/zinc/52/72/49/575527249.db2.gz WGKQSHOKHWIUBI-UWVJOHFNSA-N -1 3 314.316 3.085 20 30 DGEDHM Cc1nc(-c2ccc(C)c(N=Cc3cccc([O-])c3O)c2)n[nH]1 ZINC000749007097 575620595 /nfs/dbraw/zinc/62/05/95/575620595.db2.gz BGLMPLQTFDRKIA-UHFFFAOYSA-N -1 3 308.341 3.250 20 30 DGEDHM COc1cccc(C#CCOC(=O)c2cc3ccsc3[n-]2)c1 ZINC000749038309 575623166 /nfs/dbraw/zinc/62/31/66/575623166.db2.gz LDCLREKIPAPESG-UHFFFAOYSA-N -1 3 311.362 3.447 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2c(c1)nnn2C ZINC000751032643 575768310 /nfs/dbraw/zinc/76/83/10/575768310.db2.gz RWEBQKYLBBZHSM-MXFUOJGSSA-N -1 3 323.327 3.196 20 30 DGEDHM CCOc1ccc(/C=N/Cc2c(C)cc(C)nc2OC)c([O-])c1 ZINC000727264345 576115363 /nfs/dbraw/zinc/11/53/63/576115363.db2.gz RKSVXIAMESPXSH-VXLYETTFSA-N -1 3 314.385 3.430 20 30 DGEDHM COc1cccc([O-])c1C=NNc1cccc([N+](=O)[O-])c1C ZINC000727973575 576156627 /nfs/dbraw/zinc/15/66/27/576156627.db2.gz RNAABOYKOYMGMB-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2nccn2CC(F)(F)F)ccc1[O-] ZINC000728698667 576195737 /nfs/dbraw/zinc/19/57/37/576195737.db2.gz PDKFVSQXEQIUEM-PLNGDYQASA-N -1 3 310.275 3.356 20 30 DGEDHM NC(=O)CC1(C/N=C\c2cc(Cl)ccc2[O-])CCCCC1 ZINC000852999359 620658994 /nfs/dbraw/zinc/65/89/94/620658994.db2.gz ZWEBCGCOUYPHHB-GRSHGNNSSA-N -1 3 308.809 3.290 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(-c3ccccc3)o2)c1[O-] ZINC000917557310 620676001 /nfs/dbraw/zinc/67/60/01/620676001.db2.gz FOXUTBGTCYACRZ-JAIQZWGSSA-N -1 3 322.364 3.467 20 30 DGEDHM C=CCOc1ccc(CN2CC[C@@](C)(C(=O)[O-])C2)cc1Cl ZINC000263494548 604674101 /nfs/dbraw/zinc/67/41/01/604674101.db2.gz JKRBORZOYCQBCS-MRXNPFEDSA-N -1 3 309.793 3.201 20 30 DGEDHM Cc1cc([O-])c(C=NN2C(=S)N=NC2C(C)(C)C)cc1Cl ZINC000853267811 620683316 /nfs/dbraw/zinc/68/33/16/620683316.db2.gz CZSXKVLCZFJFJD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/76/58/39/618765839.db2.gz PFVRGSSEOOXTGR-QGZVFWFLSA-N -1 3 320.396 3.461 20 30 DGEDHM Cn1nccc1[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCO1 ZINC000840710891 619007140 /nfs/dbraw/zinc/00/71/40/619007140.db2.gz VQMGSVXOFADFOB-XUDKQTJMSA-N -1 3 319.792 3.118 20 30 DGEDHM CC[C@H](NCc1csc(N(C)C)n1)c1cccc(C#N)c1[O-] ZINC000925202140 619074114 /nfs/dbraw/zinc/07/41/14/619074114.db2.gz ANCXCBOBURNBMX-AWEZNQCLSA-N -1 3 316.430 3.027 20 30 DGEDHM C[C@H](C(=O)[O-])[C@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000900033294 619393400 /nfs/dbraw/zinc/39/34/00/619393400.db2.gz WQQPASBJTTUIJP-NHYWBVRUSA-N -1 3 300.383 3.171 20 30 DGEDHM N#Cc1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)cs1 ZINC000900037792 619394712 /nfs/dbraw/zinc/39/47/12/619394712.db2.gz LMTHZURJPDAYHA-OAHLLOKOSA-N -1 3 300.383 3.315 20 30 DGEDHM Cc1n[nH]c(C)c1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091690 619404011 /nfs/dbraw/zinc/40/40/11/619404011.db2.gz ICICRYQGKUICFB-UHFFFAOYSA-N -1 3 309.369 3.140 20 30 DGEDHM O=C(CCc1cccnc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000900094058 619404202 /nfs/dbraw/zinc/40/42/02/619404202.db2.gz GMVHJOKAXVMKKQ-UHFFFAOYSA-N -1 3 308.740 3.225 20 30 DGEDHM O=C(CCc1cccc([N+](=O)[O-])c1)N([O-])Cc1ccc(F)cc1 ZINC000900093982 619404288 /nfs/dbraw/zinc/40/42/88/619404288.db2.gz DUNXHRCGFBGJHS-UHFFFAOYSA-N -1 3 318.304 3.085 20 30 DGEDHM COc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC000900091712 619404333 /nfs/dbraw/zinc/40/43/33/619404333.db2.gz JKENOXZREOVTAC-UHFFFAOYSA-N -1 3 308.337 3.275 20 30 DGEDHM CCCc1cc(C(=O)N([O-])Cc2ccccc2Cl)cc(=O)[nH]1 ZINC000900678023 619444863 /nfs/dbraw/zinc/44/48/63/619444863.db2.gz FMJGGRIIPFDZKL-UHFFFAOYSA-N -1 3 320.776 3.425 20 30 DGEDHM Cc1noc(C)c1[C@H](C)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900711830 619446434 /nfs/dbraw/zinc/44/64/34/619446434.db2.gz CMIQUJZZSFTMSV-VIFPVBQESA-N -1 3 319.311 3.132 20 30 DGEDHM CC[C@@H](C)Oc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccn1 ZINC000901372511 619488328 /nfs/dbraw/zinc/48/83/28/619488328.db2.gz FKSOYGZFJXVKIV-GFCCVEGCSA-N -1 3 318.348 3.430 20 30 DGEDHM O=C(c1cnc([C@@H]2CCCO2)s1)N([O-])Cc1ccc(F)cc1 ZINC000901371333 619490441 /nfs/dbraw/zinc/49/04/41/619490441.db2.gz ALCWLNVFIRXRTL-LBPRGKRZSA-N -1 3 322.361 3.165 20 30 DGEDHM Cc1noc(C)c1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370900 619490474 /nfs/dbraw/zinc/49/04/74/619490474.db2.gz NQGUBYNNRNYFAU-UHFFFAOYSA-N -1 3 310.353 3.405 20 30 DGEDHM CC(C)Oc1cncc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901371926 619490483 /nfs/dbraw/zinc/49/04/83/619490483.db2.gz KVVVTLZULMUZFI-UHFFFAOYSA-N -1 3 304.321 3.040 20 30 DGEDHM O=C([C@H]1C[C@]12CCc1ccccc12)N([O-])Cc1ccc(F)cc1 ZINC000901372084 619490630 /nfs/dbraw/zinc/49/06/30/619490630.db2.gz PRODSKDDRBWNCW-MJGOQNOKSA-N -1 3 311.356 3.448 20 30 DGEDHM COc1ccc([C@@H]2C[C@H]2C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901373442 619491388 /nfs/dbraw/zinc/49/13/88/619491388.db2.gz ZZPCKAMUINFONP-DLBZAZTESA-N -1 3 315.344 3.356 20 30 DGEDHM Cc1nn(C)c2sc(C(=O)N([O-])Cc3ccc(F)cc3)cc12 ZINC000901375528 619491793 /nfs/dbraw/zinc/49/17/93/619491793.db2.gz GSSAIDLDQYLYPN-UHFFFAOYSA-N -1 3 319.361 3.114 20 30 DGEDHM Cc1noc2nc(C)cc(C(=O)N([O-])Cc3ccc(F)cc3)c12 ZINC000901375334 619491832 /nfs/dbraw/zinc/49/18/32/619491832.db2.gz FOUYHTNCYAIACK-UHFFFAOYSA-N -1 3 315.304 3.010 20 30 DGEDHM O=C(C[C@H]1OCCc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901374542 619492033 /nfs/dbraw/zinc/49/20/33/619492033.db2.gz LZSWNOKYRSTZQE-QGZVFWFLSA-N -1 3 315.344 3.248 20 30 DGEDHM COc1ccc(C)cc1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376916 619492425 /nfs/dbraw/zinc/49/24/25/619492425.db2.gz ZZKQWDNPQNVKKV-UHFFFAOYSA-N -1 3 303.333 3.103 20 30 DGEDHM O=C([C@H]1CCCOC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379663 619492797 /nfs/dbraw/zinc/49/27/97/619492797.db2.gz BBTORKKTJVEUCU-JTQLQIEISA-N -1 3 304.173 3.138 20 30 DGEDHM N#CCCc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000902225966 619604681 /nfs/dbraw/zinc/60/46/81/619604681.db2.gz JVHCSFAEIWRVCM-UHFFFAOYSA-N -1 3 322.290 3.269 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cn3cc(C)ccc3n2)ccc1[O-] ZINC000789130749 625368481 /nfs/dbraw/zinc/36/84/81/625368481.db2.gz RANGIASJVOJOCE-FNORWQNLSA-N -1 3 308.337 3.253 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1 ZINC000904181898 619889102 /nfs/dbraw/zinc/88/91/02/619889102.db2.gz SUZMGOCFFUSMDT-HNNXBMFYSA-N -1 3 310.344 3.232 20 30 DGEDHM CC(C)c1noc(CCC(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000904187329 619889780 /nfs/dbraw/zinc/88/97/80/619889780.db2.gz JAOVTPXILIWCSA-UHFFFAOYSA-N -1 3 323.780 3.197 20 30 DGEDHM COC(=O)CCCCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904172073 619891528 /nfs/dbraw/zinc/89/15/28/619891528.db2.gz YIXGYDJIEFEBJM-UHFFFAOYSA-N -1 3 315.369 3.291 20 30 DGEDHM C[C@H](Cc1cnn(C)c1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904172476 619892087 /nfs/dbraw/zinc/89/20/87/619892087.db2.gz BPBJQJNYLPUSHD-CQSZACIVSA-N -1 3 323.396 3.170 20 30 DGEDHM CCO[C@@H](C)c1ncc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000904174802 619892675 /nfs/dbraw/zinc/89/26/75/619892675.db2.gz JZMGIMCYRVLLQW-JTQLQIEISA-N -1 3 324.377 3.411 20 30 DGEDHM O=C([C@H]1CCN(c2ccccc2)C1)N([O-])Cc1ccc(F)cc1 ZINC000904178008 619892953 /nfs/dbraw/zinc/89/29/53/619892953.db2.gz WIRITWATXPBGGD-HNNXBMFYSA-N -1 3 314.360 3.070 20 30 DGEDHM O=C(CC1CSC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178553 619893668 /nfs/dbraw/zinc/89/36/68/619893668.db2.gz NJNOBGVABPHCIZ-UHFFFAOYSA-N -1 3 306.214 3.464 20 30 DGEDHM O=C(c1noc2c1CCCC2)N([O-])Cc1ccccc1Cl ZINC000904188862 619894496 /nfs/dbraw/zinc/89/44/96/619894496.db2.gz QQOOAMDWWCWHLQ-UHFFFAOYSA-N -1 3 306.749 3.238 20 30 DGEDHM C[C@@H]1CCn2ncc(C(=O)N([O-])Cc3ccccc3Cl)c2C1 ZINC000904193460 619895555 /nfs/dbraw/zinc/89/55/55/619895555.db2.gz PJEVLXOZIQRIEZ-LLVKDONJSA-N -1 3 319.792 3.150 20 30 DGEDHM CCOC1CC2(C[C@H]2C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904192546 619895689 /nfs/dbraw/zinc/89/56/89/619895689.db2.gz PWJAGVZEQZHBDR-UYJPIKCFSA-N -1 3 309.793 3.263 20 30 DGEDHM COc1ccc(CCC(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC000904192633 619895709 /nfs/dbraw/zinc/89/57/09/619895709.db2.gz SVMMTSZGZWHBFE-UHFFFAOYSA-N -1 3 320.776 3.094 20 30 DGEDHM O=C([C@@H]1C[C@H]1c1cccnc1)N([O-])CCCCc1ccccc1 ZINC000904195358 619896177 /nfs/dbraw/zinc/89/61/77/619896177.db2.gz CSOSLCDUTQNVQO-ZWKOTPCHSA-N -1 3 310.397 3.426 20 30 DGEDHM O=C([C@H]1CCCc2n[nH]cc21)N([O-])CCCCc1ccccc1 ZINC000904197074 619896574 /nfs/dbraw/zinc/89/65/74/619896574.db2.gz QKILRDBMSVJQER-HNNXBMFYSA-N -1 3 313.401 3.070 20 30 DGEDHM CCOCc1nc(C)cc(N=NC(C)c2cccc([O-])c2F)n1 ZINC000905499672 620002268 /nfs/dbraw/zinc/00/22/68/620002268.db2.gz PUVMWBVCKZNCDM-UHFFFAOYSA-N -1 3 318.352 3.002 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000906723025 620116797 /nfs/dbraw/zinc/11/67/97/620116797.db2.gz YYJHDSNBUGLVOZ-LRDDRELGSA-N -1 3 322.355 3.376 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-][C@@H](C#N)C2CCCCC2)c1 ZINC000906902657 620125862 /nfs/dbraw/zinc/12/58/62/620125862.db2.gz RFHBMXGPQDIEHW-HNNXBMFYSA-N -1 3 322.355 3.376 20 30 DGEDHM CCOc1cc(C=NN[C@@H](C)C(F)(F)F)cc(Cl)c1[O-] ZINC000834996810 620547959 /nfs/dbraw/zinc/54/79/59/620547959.db2.gz WHJVAVVXMBDNGS-ZETCQYMHSA-N -1 3 310.703 3.319 20 30 DGEDHM Cc1ccc2c(c1)C(=N[N-]c1ncccc1C(F)(F)F)C(=O)N2 ZINC000915050265 620565671 /nfs/dbraw/zinc/56/56/71/620565671.db2.gz JALRDCBNQBSBQE-UHFFFAOYSA-N -1 3 320.274 3.177 20 30 DGEDHM CC(=NNc1nc(C)cc(=O)[n-]1)c1[nH]c(-c2ccccc2)nc1C ZINC000915110297 620568199 /nfs/dbraw/zinc/56/81/99/620568199.db2.gz PTCABVGPZDCDJC-UHFFFAOYSA-N -1 3 322.372 3.025 20 30 DGEDHM N#CCOc1ccc(CC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153595907 620583922 /nfs/dbraw/zinc/58/39/22/620583922.db2.gz CDJIDSIYSFUMTP-UHFFFAOYSA-N -1 3 316.744 3.129 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2cc3c(s2)CCCC3)c1[O-] ZINC000915980765 620611251 /nfs/dbraw/zinc/61/12/51/620611251.db2.gz CGGUOXVSCZJVLZ-NVMNQCDNSA-N -1 3 316.426 3.147 20 30 DGEDHM COc1cc(N=Cc2ccc(O)c([O-])c2O)c(OC)cc1Cl ZINC000920945056 620828583 /nfs/dbraw/zinc/82/85/83/620828583.db2.gz OJNVAWQIPIMZRI-UHFFFAOYSA-N -1 3 323.732 3.225 20 30 DGEDHM C=CCCO[N-]C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000856029372 620955322 /nfs/dbraw/zinc/95/53/22/620955322.db2.gz KWYUSAUABPQJEI-UHFFFAOYSA-N -1 3 304.321 3.037 20 30 DGEDHM N#CC[C@@H](NCc1cc(Br)ccc1[O-])C(F)(F)F ZINC000922647751 621072745 /nfs/dbraw/zinc/07/27/45/621072745.db2.gz WYIILSLVVANTLL-SNVBAGLBSA-N -1 3 323.112 3.089 20 30 DGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)C#CC3CC3)nc(=O)c2c1C ZINC000838369468 621242599 /nfs/dbraw/zinc/24/25/99/621242599.db2.gz PTSQBEISFBEFIQ-SECBINFHSA-N -1 3 316.382 3.031 20 30 DGEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)CC(C)C ZINC000753546312 621447517 /nfs/dbraw/zinc/44/75/17/621447517.db2.gz NBBHLOKPGQHMPR-GFCCVEGCSA-N -1 3 310.344 3.232 20 30 DGEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)cc1C#N ZINC000756381505 621633435 /nfs/dbraw/zinc/63/34/35/621633435.db2.gz HKRRWHFDHIEYRP-GOSISDBHSA-N -1 3 324.380 3.099 20 30 DGEDHM C[C@H](NCc1ccc(C#N)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756544240 621646435 /nfs/dbraw/zinc/64/64/35/621646435.db2.gz UMRBMGKSYYRZLX-JTQLQIEISA-N -1 3 315.304 3.162 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CO[C@@H](C2CC2)C1 ZINC000864345875 621758315 /nfs/dbraw/zinc/75/83/15/621758315.db2.gz IDTHGJFPUXUWJY-CDTXCHINSA-N -1 3 310.191 3.141 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(C(C)(C)C)o2)c1[O-] ZINC000864348009 621759145 /nfs/dbraw/zinc/75/91/45/621759145.db2.gz CLEMIIMGQGOPBJ-NVMNQCDNSA-N -1 3 302.374 3.098 20 30 DGEDHM CC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1OC ZINC000864349490 621759834 /nfs/dbraw/zinc/75/98/34/621759834.db2.gz ZKAQRJMLRMVCRK-OBLBUWMUSA-N -1 3 314.385 3.167 20 30 DGEDHM C=C(C)C[C@@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000864529806 621780035 /nfs/dbraw/zinc/78/00/35/621780035.db2.gz MIVQQCDMSVJOMH-LLVKDONJSA-N -1 3 308.428 3.381 20 30 DGEDHM CCO[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@]12CCCO2 ZINC000758813607 621802621 /nfs/dbraw/zinc/80/26/21/621802621.db2.gz AHZSIOKPQWRJCN-JWOSTGPPSA-N -1 3 309.793 3.191 20 30 DGEDHM COc1cc(C=NNc2cc(C)ccc2F)c([N+](=O)[O-])cc1[O-] ZINC000759652246 621879367 /nfs/dbraw/zinc/87/93/67/621879367.db2.gz FTHGUFOJBRTJHZ-UHFFFAOYSA-N -1 3 319.292 3.203 20 30 DGEDHM CCC[C@H](C)c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000761851420 622033538 /nfs/dbraw/zinc/03/35/38/622033538.db2.gz FQWVPBXGLKZUMW-JTQLQIEISA-N -1 3 314.389 3.348 20 30 DGEDHM COC[C@@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1ccc(C)o1 ZINC000866277724 622083500 /nfs/dbraw/zinc/08/35/00/622083500.db2.gz PNITZHPFKKSDLF-SWLSCSKDSA-N -1 3 300.358 3.204 20 30 DGEDHM C[C@@H](N[C@@H](CCO)c1ccccc1F)c1cccc(C#N)c1[O-] ZINC000866381132 622106988 /nfs/dbraw/zinc/10/69/88/622106988.db2.gz HYEOJLGQBBAEHC-PXAZEXFGSA-N -1 3 314.360 3.177 20 30 DGEDHM C[C@H](N[C@@H](CCO)c1ccccc1F)c1cccc(C#N)c1[O-] ZINC000866381133 622107022 /nfs/dbraw/zinc/10/70/22/622107022.db2.gz HYEOJLGQBBAEHC-SJCJKPOMSA-N -1 3 314.360 3.177 20 30 DGEDHM COc1ccc(C=Cc2nccc(=O)[n-]2)cc1OCCCC#N ZINC000764443928 622194364 /nfs/dbraw/zinc/19/43/64/622194364.db2.gz ZVQSIBKIOLOBIV-ALCCZGGFSA-N -1 3 311.341 3.044 20 30 DGEDHM CC(N=Nc1ncnc2ccsc21)c1ccc([O-])c(F)c1 ZINC000764836131 622224604 /nfs/dbraw/zinc/22/46/04/622224604.db2.gz UPEXVMVHTJLSBW-UHFFFAOYSA-N -1 3 302.334 3.372 20 30 DGEDHM COc1cccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000122489579 622335469 /nfs/dbraw/zinc/33/54/69/622335469.db2.gz LGXDJIXMEGLTHK-BQYQJAHWSA-N -1 3 314.337 3.314 20 30 DGEDHM C=CCC1(COC(=O)Cc2c(C)nc(C)[n-]c2=O)CCCC1 ZINC000870574651 622483158 /nfs/dbraw/zinc/48/31/58/622483158.db2.gz NFWZMADOYKTITH-UHFFFAOYSA-N -1 3 304.390 3.021 20 30 DGEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cccc(CC)c1[O-] ZINC000769726443 622554950 /nfs/dbraw/zinc/55/49/50/622554950.db2.gz GTTMBIQUSKTNGQ-UHFFFAOYSA-N -1 3 311.356 3.369 20 30 DGEDHM CC(=O)c1cc(F)cc(CN2CCCC(C)(C)[C@H]2C#N)c1[O-] ZINC000769892978 622572194 /nfs/dbraw/zinc/57/21/94/622572194.db2.gz MKYMMUWFUJGFOQ-OAHLLOKOSA-N -1 3 304.365 3.248 20 30 DGEDHM COc1cc(C=NNC[C@@H]2CCCC2(F)F)cc(Cl)c1[O-] ZINC000872410568 622908133 /nfs/dbraw/zinc/90/81/33/622908133.db2.gz NZNKRIGXDOBHRU-JTQLQIEISA-N -1 3 318.751 3.413 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)nc2)nc(C)n1 ZINC000772645178 622922611 /nfs/dbraw/zinc/92/26/11/622922611.db2.gz WMJSHDSFMVFFDO-DXTPNHAXSA-N -1 3 312.760 3.032 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(C(C)(C)C)nn1 ZINC000790215415 625618089 /nfs/dbraw/zinc/61/80/89/625618089.db2.gz QQROFBYBZGWZAP-MXFUOJGSSA-N -1 3 315.348 3.261 20 30 DGEDHM N#CCc1ccc(COC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000776112767 623380361 /nfs/dbraw/zinc/38/03/61/623380361.db2.gz YCPFPYHGRYFBKZ-UHFFFAOYSA-N -1 3 307.309 3.093 20 30 DGEDHM N#CCc1ccc(COC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000776112767 623380366 /nfs/dbraw/zinc/38/03/66/623380366.db2.gz YCPFPYHGRYFBKZ-UHFFFAOYSA-N -1 3 307.309 3.093 20 30 DGEDHM Cc1cc(Br)c([O-])c(CN=Nc2ccc(C)nn2)c1 ZINC000781592764 624100314 /nfs/dbraw/zinc/10/03/14/624100314.db2.gz JACGGXIRCRGBDB-UHFFFAOYSA-N -1 3 321.178 3.008 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000782193762 624218047 /nfs/dbraw/zinc/21/80/47/624218047.db2.gz FKBAFPPWHVCYHM-QOLIJMJTSA-N -1 3 324.424 3.418 20 30 DGEDHM N#Cc1ccc(F)c(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000790972861 625726839 /nfs/dbraw/zinc/72/68/39/625726839.db2.gz LAXCEPPVIBJDMK-UHFFFAOYSA-N -1 3 308.715 3.485 20 30 DGEDHM COc1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1C#N ZINC000790983647 625730328 /nfs/dbraw/zinc/73/03/28/625730328.db2.gz RVXBIPIMVYVXMS-UHFFFAOYSA-N -1 3 320.751 3.355 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1C#N ZINC000799600902 626312071 /nfs/dbraw/zinc/31/20/71/626312071.db2.gz UADGJPDGWKMFKB-OAHLLOKOSA-N -1 3 314.348 3.243 20 30 DGEDHM C=CCCCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000811011149 627078362 /nfs/dbraw/zinc/07/83/62/627078362.db2.gz NLUZERCKOWRVDI-UHFFFAOYSA-N -1 3 302.374 3.108 20 30 DGEDHM COc1cc(C=NOC2CCC2)cc(Br)c1[O-] ZINC000812235407 627362705 /nfs/dbraw/zinc/36/27/05/627362705.db2.gz GCPQPVFISDBISR-UHFFFAOYSA-N -1 3 300.152 3.066 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H]2C[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000814183712 627548033 /nfs/dbraw/zinc/54/80/33/627548033.db2.gz MWWAQKXKDDMNFY-UXNZTACUSA-N -1 3 314.360 3.092 20 30 DGEDHM C=CC[C@@H](CO)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817560158 627919818 /nfs/dbraw/zinc/91/98/18/627919818.db2.gz KBSDKEQLNTZIHM-VIFPVBQESA-N -1 3 324.154 3.138 20 30 DGEDHM C=CCn1cc(CN[C@@H](CC)c2cccc(Cl)c2[O-])nn1 ZINC000818348049 628017274 /nfs/dbraw/zinc/01/72/74/628017274.db2.gz YOXSRTWYBMIFLX-AWEZNQCLSA-N -1 3 306.797 3.064 20 30 DGEDHM COCc1cc(Cl)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000818995751 628074930 /nfs/dbraw/zinc/07/49/30/628074930.db2.gz XPMKNPXKUQGXCS-UHFFFAOYSA-N -1 3 320.776 3.138 20 30 DGEDHM C=CCC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC000819733991 628184203 /nfs/dbraw/zinc/18/42/03/628184203.db2.gz GQWDFDRIODNATB-OAHLLOKOSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC000819733991 628184204 /nfs/dbraw/zinc/18/42/04/628184204.db2.gz GQWDFDRIODNATB-OAHLLOKOSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000819734075 628184288 /nfs/dbraw/zinc/18/42/88/628184288.db2.gz HRUNEXYLCDTWBZ-HNNXBMFYSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000819734075 628184289 /nfs/dbraw/zinc/18/42/89/628184289.db2.gz HRUNEXYLCDTWBZ-HNNXBMFYSA-N -1 3 306.373 3.381 20 30 DGEDHM COc1ccc(-c2nnn[n-]2)cc1CSc1cccc(C#N)c1 ZINC000821752203 628394791 /nfs/dbraw/zinc/39/47/91/628394791.db2.gz JDHDASWENSCDIH-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(-c2nn[n-]n2)cc1CSc1cccc(C#N)c1 ZINC000821752203 628394795 /nfs/dbraw/zinc/39/47/95/628394795.db2.gz JDHDASWENSCDIH-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCC12CCC2 ZINC000821825783 628400921 /nfs/dbraw/zinc/40/09/21/628400921.db2.gz UQHCFQGEVGIIQP-OAHLLOKOSA-N -1 3 314.385 3.084 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCC12CCC2 ZINC000821825782 628401025 /nfs/dbraw/zinc/40/10/25/628401025.db2.gz UQHCFQGEVGIIQP-HNNXBMFYSA-N -1 3 314.385 3.084 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822196528 628428924 /nfs/dbraw/zinc/42/89/24/628428924.db2.gz MNAPTEOAFQDVDT-ONEGZZNKSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822196528 628428926 /nfs/dbraw/zinc/42/89/26/628428926.db2.gz MNAPTEOAFQDVDT-ONEGZZNKSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)O2 ZINC000822213042 628429828 /nfs/dbraw/zinc/42/98/28/628429828.db2.gz RSGPBXAUFZFMLS-SXGWCWSVSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)O2 ZINC000822213042 628429830 /nfs/dbraw/zinc/42/98/30/628429830.db2.gz RSGPBXAUFZFMLS-SXGWCWSVSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1C ZINC000822225349 628430914 /nfs/dbraw/zinc/43/09/14/628430914.db2.gz ZQCHWCLRMHEBLH-FNORWQNLSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822379453 628445763 /nfs/dbraw/zinc/44/57/63/628445763.db2.gz OHMUHZDUYRBDGQ-SNAWJCMRSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822379453 628445764 /nfs/dbraw/zinc/44/57/64/628445764.db2.gz OHMUHZDUYRBDGQ-SNAWJCMRSA-N -1 3 314.345 3.272 20 30 DGEDHM N#Cc1cc(NC(=O)CC2CCCCCC2)ccc1-c1nnn[n-]1 ZINC000822823676 628499400 /nfs/dbraw/zinc/49/94/00/628499400.db2.gz XMUFXSZXLKALPR-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1cc(NC(=O)CC2CCCCCC2)ccc1-c1nn[n-]n1 ZINC000822823676 628499408 /nfs/dbraw/zinc/49/94/08/628499408.db2.gz XMUFXSZXLKALPR-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1cccc(SCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822837414 628500700 /nfs/dbraw/zinc/50/07/00/628500700.db2.gz NTZIQTXGLGWZPI-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(SCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822837414 628500705 /nfs/dbraw/zinc/50/07/05/628500705.db2.gz NTZIQTXGLGWZPI-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822842486 628501369 /nfs/dbraw/zinc/50/13/69/628501369.db2.gz KLVTWIMKWHEONZ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822842486 628501372 /nfs/dbraw/zinc/50/13/72/628501372.db2.gz KLVTWIMKWHEONZ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000822923848 628510440 /nfs/dbraw/zinc/51/04/40/628510440.db2.gz VZGZQKGDIBWDEX-YVMONPNESA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000822923848 628510441 /nfs/dbraw/zinc/51/04/41/628510441.db2.gz VZGZQKGDIBWDEX-YVMONPNESA-N -1 3 312.279 3.041 20 30 DGEDHM CC(=NNc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823958149 628613509 /nfs/dbraw/zinc/61/35/09/628613509.db2.gz FHEKFZFNZLMOMX-UHFFFAOYSA-N -1 3 320.328 3.043 20 30 DGEDHM CC(=NNc1ccccc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823963141 628614060 /nfs/dbraw/zinc/61/40/60/628614060.db2.gz WQEROSQHYFAEMO-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM CC(=NNc1ccc(F)cc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823958787 628614065 /nfs/dbraw/zinc/61/40/65/628614065.db2.gz WTCYGHXTLAYWND-UHFFFAOYSA-N -1 3 316.365 3.212 20 30 DGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000823963130 628614085 /nfs/dbraw/zinc/61/40/85/628614085.db2.gz WBVNWXWISJNYRI-UHFFFAOYSA-N -1 3 318.340 3.449 20 30 DGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000823963130 628614086 /nfs/dbraw/zinc/61/40/86/628614086.db2.gz WBVNWXWISJNYRI-UHFFFAOYSA-N -1 3 318.340 3.449 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958763 628614128 /nfs/dbraw/zinc/61/41/28/628614128.db2.gz VKFLSBZHMNPOML-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958763 628614129 /nfs/dbraw/zinc/61/41/29/628614129.db2.gz VKFLSBZHMNPOML-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC(=NNc1cccc(C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962933 628614174 /nfs/dbraw/zinc/61/41/74/628614174.db2.gz SQUBHNGRYDNBOS-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1cccc(C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962933 628614177 /nfs/dbraw/zinc/61/41/77/628614177.db2.gz SQUBHNGRYDNBOS-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM C[C@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000824384719 628656408 /nfs/dbraw/zinc/65/64/08/628656408.db2.gz GCHSTJZVDDBNIR-ZDUSSCGKSA-N -1 3 306.373 3.143 20 30 DGEDHM C[C@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000824384719 628656410 /nfs/dbraw/zinc/65/64/10/628656410.db2.gz GCHSTJZVDDBNIR-ZDUSSCGKSA-N -1 3 306.373 3.143 20 30 DGEDHM C[C@@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824385735 628656436 /nfs/dbraw/zinc/65/64/36/628656436.db2.gz ZZBMIWGHXJSHMH-NSHDSACASA-N -1 3 310.336 3.207 20 30 DGEDHM C[C@@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824385735 628656439 /nfs/dbraw/zinc/65/64/39/628656439.db2.gz ZZBMIWGHXJSHMH-NSHDSACASA-N -1 3 310.336 3.207 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826264552 628836048 /nfs/dbraw/zinc/83/60/48/628836048.db2.gz RWQLQANNXYIKHG-BQYQJAHWSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826264552 628836051 /nfs/dbraw/zinc/83/60/51/628836051.db2.gz RWQLQANNXYIKHG-BQYQJAHWSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000826293953 628841274 /nfs/dbraw/zinc/84/12/74/628841274.db2.gz FRPXPKRGMOFOGA-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000826293953 628841276 /nfs/dbraw/zinc/84/12/76/628841276.db2.gz FRPXPKRGMOFOGA-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000826294190 628841590 /nfs/dbraw/zinc/84/15/90/628841590.db2.gz LKYYFVNGIJEVEY-FMIVXFBMSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826305242 628842372 /nfs/dbraw/zinc/84/23/72/628842372.db2.gz PSJJYEAWUNJHHK-GHXNOFRVSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826305242 628842375 /nfs/dbraw/zinc/84/23/75/628842375.db2.gz PSJJYEAWUNJHHK-GHXNOFRVSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826316747 628844772 /nfs/dbraw/zinc/84/47/72/628844772.db2.gz XPFJEASFDQMFCQ-PLNGDYQASA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826316747 628844773 /nfs/dbraw/zinc/84/47/73/628844773.db2.gz XPFJEASFDQMFCQ-PLNGDYQASA-N -1 3 314.345 3.272 20 30 DGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCCCCC2)n1 ZINC000826350435 628846280 /nfs/dbraw/zinc/84/62/80/628846280.db2.gz WFVOZRQMBJNWMH-UHFFFAOYSA-N -1 3 319.800 3.427 20 30 DGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCCCCC2)n1 ZINC000826350435 628846282 /nfs/dbraw/zinc/84/62/82/628846282.db2.gz WFVOZRQMBJNWMH-UHFFFAOYSA-N -1 3 319.800 3.427 20 30 DGEDHM N#CCC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826381417 628850611 /nfs/dbraw/zinc/85/06/11/628850611.db2.gz LAJCZWMUDAEHKV-AWEZNQCLSA-N -1 3 322.347 3.463 20 30 DGEDHM N#CCC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826381417 628850613 /nfs/dbraw/zinc/85/06/13/628850613.db2.gz LAJCZWMUDAEHKV-AWEZNQCLSA-N -1 3 322.347 3.463 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475973 628853094 /nfs/dbraw/zinc/85/30/94/628853094.db2.gz XPFNVCZAPJPREK-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475973 628853096 /nfs/dbraw/zinc/85/30/96/628853096.db2.gz XPFNVCZAPJPREK-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476351 628853101 /nfs/dbraw/zinc/85/31/01/628853101.db2.gz GBLVBQAGKKEQCM-DHZHZOJOSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476351 628853102 /nfs/dbraw/zinc/85/31/02/628853102.db2.gz GBLVBQAGKKEQCM-DHZHZOJOSA-N -1 3 322.755 3.343 20 30 DGEDHM Cc1csc(C(C#N)C(=O)c2ccc(C)c(NC(=O)[O-])c2)n1 ZINC000830655741 629292922 /nfs/dbraw/zinc/29/29/22/629292922.db2.gz WCVYJGDDDMEKDC-NSHDSACASA-N -1 3 315.354 3.340 20 30 DGEDHM Cc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000832870777 629524401 /nfs/dbraw/zinc/52/44/01/629524401.db2.gz LPLJWZCDBOBYSM-SJKOYZFVSA-N -1 3 312.344 3.482 20 30 DGEDHM N#Cc1cccc([C@@H](NCc2coc3ccccc23)C(=O)[O-])c1 ZINC000833075982 629556540 /nfs/dbraw/zinc/55/65/40/629556540.db2.gz PKSVPESZZINLQQ-QGZVFWFLSA-N -1 3 306.321 3.220 20 30 DGEDHM C#CC[C@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000833360997 629591514 /nfs/dbraw/zinc/59/15/14/629591514.db2.gz UZNFIOHFBAHSRU-KXBFYZLASA-N -1 3 323.392 3.393 20 30 DGEDHM CCS[C@H]1CC[C@@H](N(C)Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833667864 629638622 /nfs/dbraw/zinc/63/86/22/629638622.db2.gz NAVBRFHGRJEKMQ-KGLIPLIRSA-N -1 3 318.442 3.362 20 30 DGEDHM CC(C)C[C@@H](CNC(=O)[O-])N[C@H](C)c1ccc(C#N)cc1F ZINC000833794612 629651323 /nfs/dbraw/zinc/65/13/23/629651323.db2.gz LTDQOHBJLBNMJD-YPMHNXCESA-N -1 3 307.369 3.030 20 30 DGEDHM C=CCO[N-]C(=O)CCc1cc(Cl)ccc1Br ZINC000837047448 630206638 /nfs/dbraw/zinc/20/66/38/630206638.db2.gz FRJFZURTVGFCDS-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM Cn1c(=O)ccc2c1CCC[C@H]2/N=C\c1cc(Cl)ccc1[O-] ZINC000844272822 630715061 /nfs/dbraw/zinc/71/50/61/630715061.db2.gz YRTVVQRRRXTNPS-SAGYFLTASA-N -1 3 316.788 3.241 20 30 DGEDHM Cn1c(=O)ccc2c1CCC[C@@H]2/N=C\c1cc(Cl)ccc1[O-] ZINC000844272827 630715108 /nfs/dbraw/zinc/71/51/08/630715108.db2.gz YRTVVQRRRXTNPS-VAODSVERSA-N -1 3 316.788 3.241 20 30 DGEDHM N#CC(C(=O)[C@H]1CC1(Cl)Cl)=C([O-])C1(c2ccccc2)CC1 ZINC000845839454 631198370 /nfs/dbraw/zinc/19/83/70/631198370.db2.gz HNNKSJJPICGPPN-NWDGAFQWSA-N -1 3 322.191 3.190 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CC1(Cl)Cl ZINC000845839454 631198372 /nfs/dbraw/zinc/19/83/72/631198372.db2.gz HNNKSJJPICGPPN-NWDGAFQWSA-N -1 3 322.191 3.190 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1cncs1 ZINC000845843181 631198798 /nfs/dbraw/zinc/19/87/98/631198798.db2.gz KGQPISZYVFMLIH-HNNXBMFYSA-N -1 3 324.405 3.085 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1cccc(Br)c1 ZINC000846550452 631259279 /nfs/dbraw/zinc/25/92/79/631259279.db2.gz XACMSQYKBOAJIT-NSHDSACASA-N -1 3 312.207 3.394 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C2CCC2)nn1 ZINC000849243884 631862679 /nfs/dbraw/zinc/86/26/79/631862679.db2.gz OTUQBWQWADNUEC-JBBGTMGVSA-N -1 3 313.332 3.231 20 30 DGEDHM C=CC[C@H]1CCCC[C@@H]1OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000851142864 632322189 /nfs/dbraw/zinc/32/21/89/632322189.db2.gz ZRYBRXJCNBPNOW-ZFWWWQNUSA-N -1 3 304.390 3.020 20 30 DGEDHM CCSc1cccc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000793669454 661052754 /nfs/dbraw/zinc/05/27/54/661052754.db2.gz RUMPVTQJTUICEM-ZDLGFXPLSA-N -1 3 316.426 3.319 20 30 DGEDHM COC(=O)c1csc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1 ZINC000794724063 661101878 /nfs/dbraw/zinc/10/18/78/661101878.db2.gz NGMYTUWVTRSSAH-RQOWECAXSA-N -1 3 324.304 3.415 20 30 DGEDHM CCOC(=O)c1scnc1/C=C/C(=O)c1ccc([O-])c(C)c1 ZINC000794934708 661114822 /nfs/dbraw/zinc/11/48/22/661114822.db2.gz MOHRRYMLIBUUFF-FNORWQNLSA-N -1 3 317.366 3.230 20 30 DGEDHM CS(=O)(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255671497 655888515 /nfs/dbraw/zinc/88/85/15/655888515.db2.gz UYJBNSFPLLEQDU-UHFFFAOYSA-N -1 3 324.789 3.168 20 30 DGEDHM C=CCOc1ccc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000263034332 658421085 /nfs/dbraw/zinc/42/10/85/658421085.db2.gz HQVIIDZLXTZYCB-TZMCWYRMSA-N -1 3 323.820 3.447 20 30 DGEDHM O=C(CC/N=C/c1cc(Cl)ccc1[O-])N1CCCCCC1 ZINC000194659752 662170982 /nfs/dbraw/zinc/17/09/82/662170982.db2.gz MPNXLYPVPPAJLJ-LDADJPATSA-N -1 3 308.809 3.257 20 30 DGEDHM C=CCOc1ccc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000263034330 685125088 /nfs/dbraw/zinc/12/50/88/685125088.db2.gz HQVIIDZLXTZYCB-OCCSQVGLSA-N -1 3 323.820 3.447 20 30 DGEDHM Cc1cc2c(cc1C)N(c1c(C#N)cccc1-c1nnn[n-]1)CC2 ZINC001581046517 1192051577 /nfs/dbraw/zinc/05/15/77/1192051577.db2.gz XSBPABSXRYBJFE-UHFFFAOYSA-N -1 3 316.368 3.049 20 30 DGEDHM Cc1cc2c(cc1C)N(c1c(C#N)cccc1-c1nn[n-]n1)CC2 ZINC001581046517 1192051580 /nfs/dbraw/zinc/05/15/80/1192051580.db2.gz XSBPABSXRYBJFE-UHFFFAOYSA-N -1 3 316.368 3.049 20 30 DGEDHM Cc1ccc(CCNc2c(C#N)cccc2-c2nnn[n-]2)cc1C ZINC001581193697 1192056663 /nfs/dbraw/zinc/05/66/63/1192056663.db2.gz RLIWUZKIJSUIGG-UHFFFAOYSA-N -1 3 318.384 3.010 20 30 DGEDHM Cc1ccc(CCNc2c(C#N)cccc2-c2nn[n-]n2)cc1C ZINC001581193697 1192056664 /nfs/dbraw/zinc/05/66/64/1192056664.db2.gz RLIWUZKIJSUIGG-UHFFFAOYSA-N -1 3 318.384 3.010 20 30 DGEDHM N#C[C@H](CCc1ccccc1)Sc1ccccc1-c1nnn[n-]1 ZINC001581856170 1192079983 /nfs/dbraw/zinc/07/99/83/1192079983.db2.gz VTBKIGBMZQMUGZ-AWEZNQCLSA-N -1 3 321.409 3.484 20 30 DGEDHM N#C[C@H](CCc1ccccc1)Sc1ccccc1-c1nn[n-]n1 ZINC001581856170 1192079986 /nfs/dbraw/zinc/07/99/86/1192079986.db2.gz VTBKIGBMZQMUGZ-AWEZNQCLSA-N -1 3 321.409 3.484 20 30 DGEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000020361704 1192081169 /nfs/dbraw/zinc/08/11/69/1192081169.db2.gz MITYXFUSOCYGKR-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM CC(=O)c1ccc(C(=O)NC(C)(C)c2cccc(C#N)c2)cc1[O-] ZINC001584359487 1192192020 /nfs/dbraw/zinc/19/20/20/1192192020.db2.gz UEUSNQNZGXGSQB-UHFFFAOYSA-N -1 3 322.364 3.132 20 30 DGEDHM C=CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccncc1 ZINC001586308805 1192320972 /nfs/dbraw/zinc/32/09/72/1192320972.db2.gz QABOOPKJTYLGHB-INIZCTEOSA-N -1 3 310.353 3.037 20 30 DGEDHM C=CC[C@@H]1CCCN(c2cc(C)cc(F)c2-c2nnn[n-]2)C1 ZINC001588560332 1192450108 /nfs/dbraw/zinc/45/01/08/1192450108.db2.gz PIKFJUUZUOKODT-GFCCVEGCSA-N -1 3 301.369 3.107 20 30 DGEDHM C=CC[C@@H]1CCCN(c2cc(C)cc(F)c2-c2nn[n-]n2)C1 ZINC001588560332 1192450110 /nfs/dbraw/zinc/45/01/10/1192450110.db2.gz PIKFJUUZUOKODT-GFCCVEGCSA-N -1 3 301.369 3.107 20 30 DGEDHM C=CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588539157 1192450658 /nfs/dbraw/zinc/45/06/58/1192450658.db2.gz ANMRWNXWXYMLLA-MDZDMXLPSA-N -1 3 312.373 3.025 20 30 DGEDHM C=CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588539157 1192450663 /nfs/dbraw/zinc/45/06/63/1192450663.db2.gz ANMRWNXWXYMLLA-MDZDMXLPSA-N -1 3 312.373 3.025 20 30 DGEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)C1CCC(F)(F)CC1 ZINC001588780510 1192453454 /nfs/dbraw/zinc/45/34/54/1192453454.db2.gz CNEDNNZPSRVNRQ-UHFFFAOYSA-N -1 3 320.347 3.480 20 30 DGEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)C1CCC(F)(F)CC1 ZINC001588780510 1192453456 /nfs/dbraw/zinc/45/34/56/1192453456.db2.gz CNEDNNZPSRVNRQ-UHFFFAOYSA-N -1 3 320.347 3.480 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590161793 1192490899 /nfs/dbraw/zinc/49/08/99/1192490899.db2.gz ICMGBFYGVDCVGX-WWNSAXIVSA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590161793 1192490902 /nfs/dbraw/zinc/49/09/02/1192490902.db2.gz ICMGBFYGVDCVGX-WWNSAXIVSA-N -1 3 320.327 3.389 20 30 DGEDHM CCC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001590359285 1192502942 /nfs/dbraw/zinc/50/29/42/1192502942.db2.gz YCQOZLIZJUZEGC-UHFFFAOYSA-N -1 3 310.336 3.232 20 30 DGEDHM CCC(Cc1ccccc1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001590449412 1192509357 /nfs/dbraw/zinc/50/93/57/1192509357.db2.gz DAZOXLUUWTYOIH-UHFFFAOYSA-N -1 3 306.373 3.287 20 30 DGEDHM CCC(Cc1ccccc1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001590449412 1192509361 /nfs/dbraw/zinc/50/93/61/1192509361.db2.gz DAZOXLUUWTYOIH-UHFFFAOYSA-N -1 3 306.373 3.287 20 30 DGEDHM CC[C@H]1CCC1N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001590509608 1192517013 /nfs/dbraw/zinc/51/70/13/1192517013.db2.gz UKWLIOKIUGJJJE-QMMMGPOBSA-N -1 3 324.310 3.473 20 30 DGEDHM CC[C@H]1CCC1N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001590509608 1192517016 /nfs/dbraw/zinc/51/70/16/1192517016.db2.gz UKWLIOKIUGJJJE-QMMMGPOBSA-N -1 3 324.310 3.473 20 30 DGEDHM CCc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1 ZINC001590887987 1192554501 /nfs/dbraw/zinc/55/45/01/1192554501.db2.gz DBOLLTHPRUWGBF-CXUHLZMHSA-N -1 3 316.364 3.252 20 30 DGEDHM CCc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1 ZINC001590887987 1192554504 /nfs/dbraw/zinc/55/45/04/1192554504.db2.gz DBOLLTHPRUWGBF-CXUHLZMHSA-N -1 3 316.364 3.252 20 30 DGEDHM CO[C@H](c1ccccc1)C(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001591314193 1192561014 /nfs/dbraw/zinc/56/10/14/1192561014.db2.gz IKPHDENKXIFQIT-INIZCTEOSA-N -1 3 322.372 3.042 20 30 DGEDHM CO[C@H](c1ccccc1)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001591314193 1192561018 /nfs/dbraw/zinc/56/10/18/1192561018.db2.gz IKPHDENKXIFQIT-INIZCTEOSA-N -1 3 322.372 3.042 20 30 DGEDHM COc1cc(C=CC(=O)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC001591523728 1192566083 /nfs/dbraw/zinc/56/60/83/1192566083.db2.gz ZXVAHYXZLCIHQR-NTMALXAHSA-N -1 3 312.373 3.038 20 30 DGEDHM COc1cc(C=CC(=O)C2CCCCC2)ccc1-c1nn[n-]n1 ZINC001591523728 1192566085 /nfs/dbraw/zinc/56/60/85/1192566085.db2.gz ZXVAHYXZLCIHQR-NTMALXAHSA-N -1 3 312.373 3.038 20 30 DGEDHM Cc1cc(C)cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001591951253 1192581927 /nfs/dbraw/zinc/58/19/27/1192581927.db2.gz CQIFTNBGTHRAIV-SREVYHEPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C)cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591951253 1192581929 /nfs/dbraw/zinc/58/19/29/1192581929.db2.gz CQIFTNBGTHRAIV-SREVYHEPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)oc1C ZINC001591906943 1192580493 /nfs/dbraw/zinc/58/04/93/1192580493.db2.gz QWQYEVXTCCANDN-HWKANZROSA-N -1 3 300.343 3.034 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC001591958681 1192583740 /nfs/dbraw/zinc/58/37/40/1192583740.db2.gz FYAZZOOPXQDEDV-YCRREMRBSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC001591958681 1192583744 /nfs/dbraw/zinc/58/37/44/1192583744.db2.gz FYAZZOOPXQDEDV-YCRREMRBSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)ccc1Cl ZINC001591969898 1192585283 /nfs/dbraw/zinc/58/52/83/1192585283.db2.gz UZAUHOIYRMDCFP-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)ccc1Cl ZINC001591969898 1192585285 /nfs/dbraw/zinc/58/52/85/1192585285.db2.gz UZAUHOIYRMDCFP-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1cccc(-c2nnn[n-]2)c1SCc1ccc(C#N)s1 ZINC001592215378 1192602809 /nfs/dbraw/zinc/60/28/09/1192602809.db2.gz PTENBQGMULZJNJ-UHFFFAOYSA-N -1 3 313.411 3.401 20 30 DGEDHM Cc1cccc(-c2nn[n-]n2)c1SCc1ccc(C#N)s1 ZINC001592215378 1192602811 /nfs/dbraw/zinc/60/28/11/1192602811.db2.gz PTENBQGMULZJNJ-UHFFFAOYSA-N -1 3 313.411 3.401 20 30 DGEDHM Cc1ccccc1C[C@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592255852 1192604427 /nfs/dbraw/zinc/60/44/27/1192604427.db2.gz GIJCQCSSVWUOIF-ZDUSSCGKSA-N -1 3 318.384 3.090 20 30 DGEDHM Cc1ccccc1C[C@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592255852 1192604428 /nfs/dbraw/zinc/60/44/28/1192604428.db2.gz GIJCQCSSVWUOIF-ZDUSSCGKSA-N -1 3 318.384 3.090 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H]1c1cccs1 ZINC001592699147 1192626635 /nfs/dbraw/zinc/62/66/35/1192626635.db2.gz PSMHDMIRAFNTCR-CYBMUJFWSA-N -1 3 322.397 3.141 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H]1c1cccs1 ZINC001592699147 1192626644 /nfs/dbraw/zinc/62/66/44/1192626644.db2.gz PSMHDMIRAFNTCR-CYBMUJFWSA-N -1 3 322.397 3.141 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001592791407 1192627031 /nfs/dbraw/zinc/62/70/31/1192627031.db2.gz FQWDFQOTODXOEL-FNORWQNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001592791407 1192627034 /nfs/dbraw/zinc/62/70/34/1192627034.db2.gz FQWDFQOTODXOEL-FNORWQNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1C(=CC=Cc2ccccc2)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593376153 1192630427 /nfs/dbraw/zinc/63/04/27/1192630427.db2.gz AILTVCUWUFBBFF-DUEVJXGLSA-N -1 3 314.348 3.245 20 30 DGEDHM O=C1C(=CC=Cc2ccccc2)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593376153 1192630437 /nfs/dbraw/zinc/63/04/37/1192630437.db2.gz AILTVCUWUFBBFF-DUEVJXGLSA-N -1 3 314.348 3.245 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593376437 1192630880 /nfs/dbraw/zinc/63/08/80/1192630880.db2.gz MTHTYGHNYASORX-WQLSENKSSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593376437 1192630882 /nfs/dbraw/zinc/63/08/82/1192630882.db2.gz MTHTYGHNYASORX-WQLSENKSSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)CCc2ccccc21 ZINC001593380370 1192631080 /nfs/dbraw/zinc/63/10/80/1192631080.db2.gz PFPNSYOFWCACGZ-GXDHUFHOSA-N -1 3 302.337 3.079 20 30 DGEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)CCc2ccccc21 ZINC001593380370 1192631088 /nfs/dbraw/zinc/63/10/88/1192631088.db2.gz PFPNSYOFWCACGZ-GXDHUFHOSA-N -1 3 302.337 3.079 20 30 DGEDHM Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)[nH]c1C(=O)[O-] ZINC001600206109 1192807613 /nfs/dbraw/zinc/80/76/13/1192807613.db2.gz QGDKBGDYGOCRKR-INIZCTEOSA-N -1 3 309.369 3.060 20 30 DGEDHM C=CCCC[C@@H](NCc1cn(C)nc1C(=O)[O-])c1ccccc1 ZINC001332436026 1178446106 /nfs/dbraw/zinc/44/61/06/1178446106.db2.gz AYCRZPFLNWAMFZ-MRXNPFEDSA-N -1 3 313.401 3.306 20 30 DGEDHM N#CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001601064236 1192915086 /nfs/dbraw/zinc/91/50/86/1192915086.db2.gz PRPZYZYXWNNQTO-CYBMUJFWSA-N -1 3 309.369 3.059 20 30 DGEDHM N#Cc1cc(F)ccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC001601088706 1192917365 /nfs/dbraw/zinc/91/73/65/1192917365.db2.gz DVHHIYODFNFEBQ-ULQDDVLXSA-N -1 3 316.376 3.163 20 30 DGEDHM Cc1nnc(-c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cc2)o1 ZINC001344023980 1179365845 /nfs/dbraw/zinc/36/58/45/1179365845.db2.gz TZVWYJOSADVDCE-ZDUSSCGKSA-N -1 3 322.299 3.069 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)cc(C)c1C#N ZINC001346088385 1179650668 /nfs/dbraw/zinc/65/06/68/1179650668.db2.gz WTTFYKVPBGAUMZ-CYBMUJFWSA-N -1 3 312.760 3.052 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(C(F)(F)F)s1 ZINC001346095891 1179652829 /nfs/dbraw/zinc/65/28/29/1179652829.db2.gz LDADIIVWFLPRFP-QMMMGPOBSA-N -1 3 313.304 3.473 20 30 DGEDHM C#Cc1ccc(CNCc2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC001602738498 1192995741 /nfs/dbraw/zinc/99/57/41/1192995741.db2.gz CUQUZROJMXAJKG-UHFFFAOYSA-N -1 3 323.392 3.038 20 30 DGEDHM C=C[C@H](NCc1ccc(Oc2ccccc2F)c(F)c1)C(=O)[O-] ZINC001602818961 1192998718 /nfs/dbraw/zinc/99/87/18/1192998718.db2.gz IZNBKDUZDRGPMF-AWEZNQCLSA-N -1 3 319.307 3.486 20 30 DGEDHM C[C@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001604321440 1193064285 /nfs/dbraw/zinc/06/42/85/1193064285.db2.gz FAKIVKJQANCGCA-KBPBESRZSA-N -1 3 324.380 3.433 20 30 DGEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H]4C[C@@H]4C3)n2C)c1[O-] ZINC001355744566 1181091803 /nfs/dbraw/zinc/09/18/03/1181091803.db2.gz ITUHFLDHBIKDTJ-UKRRQHHQSA-N -1 3 324.428 3.153 20 30 DGEDHM N#Cc1cscc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC001357398153 1181395220 /nfs/dbraw/zinc/39/52/20/1181395220.db2.gz CSRHOZVHZZCRDU-UHFFFAOYSA-N -1 3 312.379 3.391 20 30 DGEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccccc1)c1cccc(F)n1 ZINC001357640446 1181415090 /nfs/dbraw/zinc/41/50/90/1181415090.db2.gz ZTMHQKJALCWUPY-GFCCVEGCSA-N -1 3 306.300 3.101 20 30 DGEDHM Cc1ccc(Cc2nnc([N-]C(=O)c3coc(C#N)c3)s2)cc1 ZINC001360268430 1181618452 /nfs/dbraw/zinc/61/84/52/1181618452.db2.gz YEMDAUGAZGLSQT-UHFFFAOYSA-N -1 3 324.365 3.154 20 30 DGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccc1 ZINC001437075136 1181920005 /nfs/dbraw/zinc/92/00/05/1181920005.db2.gz XXAPUHQURIEEAJ-OAHLLOKOSA-N -1 3 303.283 3.408 20 30 DGEDHM CCn1ncc(Cl)c1C(=O)N([O-])Cc1ccccc1Cl ZINC001457995305 1182489140 /nfs/dbraw/zinc/48/91/40/1182489140.db2.gz QZDQIPKOVKTBFG-UHFFFAOYSA-N -1 3 314.172 3.241 20 30 DGEDHM Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1 ZINC001457994787 1182489144 /nfs/dbraw/zinc/48/91/44/1182489144.db2.gz LYZFCRYXQPLTRB-UHFFFAOYSA-N -1 3 312.156 3.123 20 30 DGEDHM COc1cc(C)cnc1C(=O)N([O-])Cc1ccccc1Cl ZINC001457991257 1182489197 /nfs/dbraw/zinc/48/91/97/1182489197.db2.gz CNVYCKIWVNJMDO-UHFFFAOYSA-N -1 3 306.749 3.084 20 30 DGEDHM Cc1ccc(Cl)cc1Oc1c(C#N)cccc1-c1nnn[n-]1 ZINC001605861784 1193180744 /nfs/dbraw/zinc/18/07/44/1193180744.db2.gz YYMJCUGRJFCBRX-UHFFFAOYSA-N -1 3 311.732 3.493 20 30 DGEDHM Cc1ccc(Cl)cc1Oc1c(C#N)cccc1-c1nn[n-]n1 ZINC001605861784 1193180745 /nfs/dbraw/zinc/18/07/45/1193180745.db2.gz YYMJCUGRJFCBRX-UHFFFAOYSA-N -1 3 311.732 3.493 20 30 DGEDHM Cc1ccc(SCc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1 ZINC001605883826 1193182280 /nfs/dbraw/zinc/18/22/80/1193182280.db2.gz ICLBTOYUXALYOD-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(SCc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1 ZINC001605883826 1193182282 /nfs/dbraw/zinc/18/22/82/1193182282.db2.gz ICLBTOYUXALYOD-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM FC(F)(F)c1cc(N=NC2CC3(CC3)C2)ccc1-c1nnn[n-]1 ZINC001606291741 1193195575 /nfs/dbraw/zinc/19/55/75/1193195575.db2.gz BYZDSWAHHSJSQY-UHFFFAOYSA-N -1 3 322.294 3.227 20 30 DGEDHM FC(F)(F)c1cc(N=NC2CC3(CC3)C2)ccc1-c1nn[n-]n1 ZINC001606291741 1193195578 /nfs/dbraw/zinc/19/55/78/1193195578.db2.gz BYZDSWAHHSJSQY-UHFFFAOYSA-N -1 3 322.294 3.227 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC001606481592 1193199862 /nfs/dbraw/zinc/19/98/62/1193199862.db2.gz FMCOAEYQMXPLCU-KTKRTIGZSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC001606481592 1193199865 /nfs/dbraw/zinc/19/98/65/1193199865.db2.gz FMCOAEYQMXPLCU-KTKRTIGZSA-N -1 3 300.337 3.168 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1C[C@H]1C1CCCCC1 ZINC001606379703 1193200303 /nfs/dbraw/zinc/20/03/03/1193200303.db2.gz JJTJCSMMKQZYEE-GJZGRUSLSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1C[C@H]1C1CCCCC1 ZINC001606379703 1193200306 /nfs/dbraw/zinc/20/03/06/1193200306.db2.gz JJTJCSMMKQZYEE-GJZGRUSLSA-N -1 3 308.389 3.119 20 30 DGEDHM c1ccc(C2CC(N=Nc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC001607129334 1193213193 /nfs/dbraw/zinc/21/31/93/1193213193.db2.gz KDBKULRRHLEVIW-UHFFFAOYSA-N -1 3 304.357 3.212 20 30 DGEDHM c1ccc(C2CC(N=Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001607129334 1193213196 /nfs/dbraw/zinc/21/31/96/1193213196.db2.gz KDBKULRRHLEVIW-UHFFFAOYSA-N -1 3 304.357 3.212 20 30 DGEDHM C=CCN(C(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC001468643711 1183348955 /nfs/dbraw/zinc/34/89/55/1183348955.db2.gz YOSUXYLFEHEOPD-UHFFFAOYSA-N -1 3 305.337 3.168 20 30 DGEDHM C#CCCCC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001472357891 1183638436 /nfs/dbraw/zinc/63/84/36/1183638436.db2.gz YGDKEQSWZXSSRU-UHFFFAOYSA-N -1 3 314.414 3.147 20 30 DGEDHM CCCCN([O-])C(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC001472620861 1183655769 /nfs/dbraw/zinc/65/57/69/1183655769.db2.gz WEZKGZILFOSRPC-CYBMUJFWSA-N -1 3 316.442 3.334 20 30 DGEDHM O=C(CCc1ccc(=O)[nH]c1)N([O-])Cc1cccc2ccccc21 ZINC001472623010 1183658417 /nfs/dbraw/zinc/65/84/17/1183658417.db2.gz SIQHBBOSVREWDU-UHFFFAOYSA-N -1 3 322.364 3.291 20 30 DGEDHM C=C(C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)c1ccccc1 ZINC001475363486 1183999681 /nfs/dbraw/zinc/99/96/81/1183999681.db2.gz DUICSWMWZBPCOY-UHFFFAOYSA-N -1 3 323.364 3.265 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC001476322431 1184035124 /nfs/dbraw/zinc/03/51/24/1184035124.db2.gz WGENKDWVWZBNDE-NSHDSACASA-N -1 3 303.387 3.362 20 30 DGEDHM N#CC1(C(=O)[O-])CCN(Cc2cccc(CC3CCC3)c2)CC1 ZINC001608174775 1193280669 /nfs/dbraw/zinc/28/06/69/1193280669.db2.gz XWWZTZDSTRLZGC-UHFFFAOYSA-N -1 3 312.413 3.220 20 30 DGEDHM C[C@@H](CCc1ccccc1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609112134 1193325349 /nfs/dbraw/zinc/32/53/49/1193325349.db2.gz TVOIKDHJECXXIZ-ZDUSSCGKSA-N -1 3 318.384 3.172 20 30 DGEDHM C[C@@H](CCc1ccccc1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609112134 1193325351 /nfs/dbraw/zinc/32/53/51/1193325351.db2.gz TVOIKDHJECXXIZ-ZDUSSCGKSA-N -1 3 318.384 3.172 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609152574 1193327010 /nfs/dbraw/zinc/32/70/10/1193327010.db2.gz GPMJSMNXUBJJKF-FFCYNSPCSA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609152574 1193327013 /nfs/dbraw/zinc/32/70/13/1193327013.db2.gz GPMJSMNXUBJJKF-FFCYNSPCSA-N -1 3 302.337 3.250 20 30 DGEDHM CC[C@]1(C)CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609196647 1193330304 /nfs/dbraw/zinc/33/03/04/1193330304.db2.gz VONDVQSSOWHRNO-CQSZACIVSA-N -1 3 319.800 3.283 20 30 DGEDHM CC[C@]1(C)CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609196647 1193330306 /nfs/dbraw/zinc/33/03/06/1193330306.db2.gz VONDVQSSOWHRNO-CQSZACIVSA-N -1 3 319.800 3.283 20 30 DGEDHM CCCOc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001609216591 1193331496 /nfs/dbraw/zinc/33/14/96/1193331496.db2.gz UHNOFLWAEVYQRS-UHFFFAOYSA-N -1 3 320.356 3.271 20 30 DGEDHM CCCOc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001609216591 1193331498 /nfs/dbraw/zinc/33/14/98/1193331498.db2.gz UHNOFLWAEVYQRS-UHFFFAOYSA-N -1 3 320.356 3.271 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1F ZINC001609422719 1193337341 /nfs/dbraw/zinc/33/73/41/1193337341.db2.gz VQHDMDNUBHFSTO-CMDGGOBGSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1F ZINC001609422719 1193337343 /nfs/dbraw/zinc/33/73/43/1193337343.db2.gz VQHDMDNUBHFSTO-CMDGGOBGSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001609430799 1193338464 /nfs/dbraw/zinc/33/84/64/1193338464.db2.gz SWRDCEVBBJVLLX-ZHACJKMWSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001609430799 1193338465 /nfs/dbraw/zinc/33/84/65/1193338465.db2.gz SWRDCEVBBJVLLX-ZHACJKMWSA-N -1 3 304.353 3.380 20 30 DGEDHM Clc1ccc(CON=Cc2cccs2)c(-c2nnn[n-]2)c1 ZINC001609473292 1193340516 /nfs/dbraw/zinc/34/05/16/1193340516.db2.gz YETOVENCKBDMGA-UHFFFAOYSA-N -1 3 319.777 3.132 20 30 DGEDHM Clc1ccc(CON=Cc2cccs2)c(-c2nn[n-]n2)c1 ZINC001609473292 1193340525 /nfs/dbraw/zinc/34/05/25/1193340525.db2.gz YETOVENCKBDMGA-UHFFFAOYSA-N -1 3 319.777 3.132 20 30 DGEDHM Fc1c(Cl)cccc1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC001609486910 1193341323 /nfs/dbraw/zinc/34/13/23/1193341323.db2.gz IZPZQHIVNSMXNG-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCCC12CCCC2 ZINC001609613633 1193345665 /nfs/dbraw/zinc/34/56/65/1193345665.db2.gz RGRUEPKFDDMJCV-UHFFFAOYSA-N -1 3 310.405 3.057 20 30 DGEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCCC12CCCC2 ZINC001609613633 1193345667 /nfs/dbraw/zinc/34/56/67/1193345667.db2.gz RGRUEPKFDDMJCV-UHFFFAOYSA-N -1 3 310.405 3.057 20 30 DGEDHM COc1cccc([C@](C)(CC(=O)[O-])NCC#Cc2ccccc2)c1 ZINC001610356020 1193383965 /nfs/dbraw/zinc/38/39/65/1193383965.db2.gz 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CCCCn1ncc(C(=O)N([O-])Cc2ccc(F)cc2)c1CC ZINC001559037334 1189164321 /nfs/dbraw/zinc/16/43/21/1189164321.db2.gz RZXLZIVEDRVQDJ-UHFFFAOYSA-N -1 3 319.380 3.416 20 30 DGEDHM N#Cc1cnccc1SCc1nnc(-c2ccccc2[O-])o1 ZINC001559438327 1189205464 /nfs/dbraw/zinc/20/54/64/1189205464.db2.gz UWIBKKHNRCYRFJ-UHFFFAOYSA-N -1 3 310.338 3.001 20 30 DGEDHM N#CC[C@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC001569458756 1190702142 /nfs/dbraw/zinc/70/21/42/1190702142.db2.gz BKEXHUSQGHBKQH-CYBMUJFWSA-N -1 3 320.352 3.295 20 30 DGEDHM C#C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC001570678121 1190915701 /nfs/dbraw/zinc/91/57/01/1190915701.db2.gz UVWYYMHQYCFCPO-KRWDZBQOSA-N -1 3 311.356 3.345 20 30 DGEDHM N#Cc1cc(NC(=O)NCc2c([O-])cccc2F)c(F)cc1F ZINC001627092396 1194111189 /nfs/dbraw/zinc/11/11/89/1194111189.db2.gz AIKAGOZAENGTSW-UHFFFAOYSA-N -1 3 321.258 3.003 20 30 DGEDHM CC(C)(C)C#CC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC001628237331 1194168251 /nfs/dbraw/zinc/16/82/51/1194168251.db2.gz 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/nfs/dbraw/zinc/74/93/81/1194749381.db2.gz FHRQUKSKIFZJJN-NVXWUHKLSA-N -1 3 305.418 3.432 20 30 DGEDHM CC(=O)c1ccc(C(=O)N([O-])CCCCc2ccccc2)o1 ZINC001639062545 1194749407 /nfs/dbraw/zinc/74/94/07/1194749407.db2.gz TYYXZVANTXWOBP-UHFFFAOYSA-N -1 3 301.342 3.337 20 30 DGEDHM CCCCCCN([O-])C(=O)C1(c2ccc3c(c2)OCCO3)CC1 ZINC001639067081 1194749409 /nfs/dbraw/zinc/74/94/09/1194749409.db2.gz KFBTZBGGZBLUAT-UHFFFAOYSA-N -1 3 319.401 3.288 20 30 DGEDHM CO/C(=C\c1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001639078242 1194750091 /nfs/dbraw/zinc/75/00/91/1194750091.db2.gz FJRDAQAMVGMGQF-WJDWOHSUSA-N -1 3 301.317 3.231 20 30 DGEDHM O=C([C@H]1C[C@@]1(F)c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001639078495 1194750112 /nfs/dbraw/zinc/75/01/12/1194750112.db2.gz KLIAAPCIGIRPMR-NVXWUHKLSA-N -1 3 303.308 3.428 20 30 DGEDHM C=C1CCC(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CC1 ZINC001647586109 1195248850 /nfs/dbraw/zinc/24/88/50/1195248850.db2.gz NEKMQMHFJQKBCY-CTYIDZIISA-N -1 3 315.417 3.071 20 30 DGEDHM CC(C)c1nc(C(=O)N([O-])CCCCc2ccccc2)c[nH]1 ZINC001651225949 1195428474 /nfs/dbraw/zinc/42/84/74/1195428474.db2.gz DZWMXLYMKQMOAQ-UHFFFAOYSA-N -1 3 301.390 3.387 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC001651229313 1195428594 /nfs/dbraw/zinc/42/85/94/1195428594.db2.gz LCXIPJGERBQXHS-JTQLQIEISA-N -1 3 305.296 3.491 20 30 DGEDHM CCCCN([O-])C(=O)c1csc(-c2ccccc2OC)n1 ZINC001651229826 1195430345 /nfs/dbraw/zinc/43/03/45/1195430345.db2.gz YNMJSSLTUFLBOH-UHFFFAOYSA-N -1 3 306.387 3.450 20 30 DGEDHM C=CC[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001651734726 1195503173 /nfs/dbraw/zinc/50/31/73/1195503173.db2.gz AVVLHUIFCXZNLJ-MRXNPFEDSA-N -1 3 323.396 3.036 20 30 DGEDHM Cc1cc(NCc2c([O-])cccc2F)c(C#N)cc1[N+](=O)[O-] ZINC001652251922 1195569942 /nfs/dbraw/zinc/56/99/42/1195569942.db2.gz CVZIGBVOMSXSQH-UHFFFAOYSA-N -1 3 301.277 3.232 20 30 DGEDHM C=C(CC)CN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001653947291 1195761592 /nfs/dbraw/zinc/76/15/92/1195761592.db2.gz ZMQIMAINWSPUCC-ZDUSSCGKSA-N -1 3 312.335 3.062 20 30 DGEDHM C[S@@](=O)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001654814517 1195843098 /nfs/dbraw/zinc/84/30/98/1195843098.db2.gz WWWNEPFIASHQJE-OAQYLSRUSA-N -1 3 323.801 3.109 20 30 DGEDHM O=C(c1nccc2cccnc21)N([O-])CCCCc1ccccc1 ZINC001654817519 1195844682 /nfs/dbraw/zinc/84/46/82/1195844682.db2.gz MTOVSFRERGXLGH-UHFFFAOYSA-N -1 3 321.380 3.484 20 30 DGEDHM Cn1nc(C(=O)N([O-])CCCCc2ccccc2)cc1C1CC1 ZINC001654817078 1195844781 /nfs/dbraw/zinc/84/47/81/1195844781.db2.gz BOPJJBBTERWGND-UHFFFAOYSA-N -1 3 313.401 3.152 20 30 DGEDHM C#Cc1cccc(N(C)Cc2nnc(-c3ccccc3[O-])o2)c1 ZINC001657206381 1196118940 /nfs/dbraw/zinc/11/89/40/1196118940.db2.gz VEOWYXFYALEATN-UHFFFAOYSA-N -1 3 305.337 3.060 20 30 DGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001663324701 1196835763 /nfs/dbraw/zinc/83/57/63/1196835763.db2.gz BGMRWTKWQMLUAF-UHFFFAOYSA-N -1 3 322.455 3.301 20 30 DGEDHM C#CCN(CC(=O)OC(C)(C)C)Cc1c([O-])cc(C)cc1Cl ZINC001665185080 1197105928 /nfs/dbraw/zinc/10/59/28/1197105928.db2.gz CTJIEFNQAUNYCP-UHFFFAOYSA-N -1 3 323.820 3.131 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573296201 947042896 /nfs/dbraw/zinc/04/28/96/947042896.db2.gz ZUWUCWGCPDDSAY-UHFFFAOYSA-N -1 3 305.341 3.152 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573296201 947042903 /nfs/dbraw/zinc/04/29/03/947042903.db2.gz ZUWUCWGCPDDSAY-UHFFFAOYSA-N -1 3 305.341 3.152 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573305546 947155837 /nfs/dbraw/zinc/15/58/37/947155837.db2.gz DBVNLFZJOQMGIA-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573305546 947155842 /nfs/dbraw/zinc/15/58/42/947155842.db2.gz DBVNLFZJOQMGIA-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@H](CC)CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573315017 947243941 /nfs/dbraw/zinc/24/39/41/947243941.db2.gz JEISCBIJDBOPJC-VXGBXAGGSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@H](CC)CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573315017 947243949 /nfs/dbraw/zinc/24/39/49/947243949.db2.gz JEISCBIJDBOPJC-VXGBXAGGSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC[C@@H]1CCCN1c1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001573335409 947477612 /nfs/dbraw/zinc/47/76/12/947477612.db2.gz YRKPPAASGNJVEX-LLVKDONJSA-N -1 3 318.812 3.159 20 30 DGEDHM C=CCC[C@@H]1CCCN1c1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001573335409 947477620 /nfs/dbraw/zinc/47/76/20/947477620.db2.gz YRKPPAASGNJVEX-LLVKDONJSA-N -1 3 318.812 3.159 20 30 DGEDHM O=C([O-])CC[C@H]1CCCCN1CC#Cc1cccc(Cl)c1 ZINC001595012067 951251432 /nfs/dbraw/zinc/25/14/32/951251432.db2.gz KDPJCVOJEVXFGA-MRXNPFEDSA-N -1 3 305.805 3.411 20 30 DGEDHM C#Cc1ccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC001588516568 983561104 /nfs/dbraw/zinc/56/11/04/983561104.db2.gz PTVMEJZUVVRRJH-UHFFFAOYSA-N -1 3 315.319 3.033 20 30 DGEDHM C=C[C@@H](C(=O)[O-])N1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001588664439 983800287 /nfs/dbraw/zinc/80/02/87/983800287.db2.gz VTBYTRASLHYBIV-JSGCOSHPSA-N -1 3 317.282 3.215 20 30 DGEDHM CCc1oc(C(=O)[O-])cc1CN(C)CCc1cccc(C#N)c1 ZINC001597761811 989192026 /nfs/dbraw/zinc/19/20/26/989192026.db2.gz WCZUQFQLJPGVOT-UHFFFAOYSA-N -1 3 312.369 3.086 20 30 DGEDHM CCC#C[C@H](C)Oc1cccc([O-])c1I ZINC001227382039 1096923441 /nfs/dbraw/zinc/92/34/41/1096923441.db2.gz SYKXEBNQZJDHJR-VIFPVBQESA-N -1 3 316.138 3.178 20 30 DGEDHM CN(CCc1cccc(C#N)c1)C(=O)c1cc([O-])ccc1Cl ZINC001169894829 1081672150 /nfs/dbraw/zinc/67/21/50/1081672150.db2.gz HWOGFVUYEMONJV-UHFFFAOYSA-N -1 3 314.772 3.232 20 30 DGEDHM CC#Cc1cncc(Nc2ncc(Br)cc2[O-])c1 ZINC001211053698 1082063691 /nfs/dbraw/zinc/06/36/91/1082063691.db2.gz AAOWJNLYHXSTPT-UHFFFAOYSA-N -1 3 304.147 3.060 20 30 DGEDHM COC(=O)c1ccc([O-])c(Nc2cccc(Cl)c2C#N)c1 ZINC001216128034 1082338141 /nfs/dbraw/zinc/33/81/41/1082338141.db2.gz ZQQIGLHQVCVLAQ-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001181471924 1083472930 /nfs/dbraw/zinc/47/29/30/1083472930.db2.gz PXOSDQQEGYJHAI-UHFFFAOYSA-N -1 3 322.364 3.482 20 30 DGEDHM Cc1ccc(CC(=O)N([O-])CCCCc2ccccc2)cc1O ZINC001184293130 1084155989 /nfs/dbraw/zinc/15/59/89/1084155989.db2.gz GGSOHSBFTMOYCS-UHFFFAOYSA-N -1 3 313.397 3.484 20 30 DGEDHM N#Cc1cnoc1[N-]C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC001185587066 1084481415 /nfs/dbraw/zinc/48/14/15/1084481415.db2.gz PYFABYYXWIAGKA-UHFFFAOYSA-N -1 3 314.198 3.348 20 30 DGEDHM COC(=O)c1scc(C#N)c1Nc1ccc([O-])c(F)c1F ZINC001212000166 1087130228 /nfs/dbraw/zinc/13/02/28/1087130228.db2.gz QLTGAZVKSCJRNR-UHFFFAOYSA-N -1 3 310.281 3.134 20 30 DGEDHM CCOC(=O)c1c(C)oc(Nc2ccc([O-])c(F)c2F)c1C#N ZINC001212003132 1087132956 /nfs/dbraw/zinc/13/29/56/1087132956.db2.gz RCWXSDMQBCZDNA-UHFFFAOYSA-N -1 3 322.267 3.364 20 30 DGEDHM C#C[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(C)(C)C ZINC001212037888 1087142669 /nfs/dbraw/zinc/14/26/69/1087142669.db2.gz PWXIZGMWPPHVGO-CQSZACIVSA-N -1 3 323.389 3.207 20 30 DGEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc2ccncc2cn1 ZINC001153073322 1088159478 /nfs/dbraw/zinc/15/94/78/1088159478.db2.gz ZDHFXVJHCXYYGM-UHFFFAOYSA-N -1 3 310.263 3.032 20 30 DGEDHM CCn1nccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161785550 1089400652 /nfs/dbraw/zinc/40/06/52/1089400652.db2.gz YNTJKTUDTCXSPT-UHFFFAOYSA-N -1 3 314.172 3.241 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC(C2CC2)C2CC2)n1 ZINC001157920560 1090150222 /nfs/dbraw/zinc/15/02/22/1090150222.db2.gz WXHSQAVUQJWUQD-GIDUJCDVSA-N -1 3 312.826 3.261 20 30 DGEDHM C=CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001299258319 1090377832 /nfs/dbraw/zinc/37/78/32/1090377832.db2.gz FJTXDLGWMYGWBX-MRXNPFEDSA-N -1 3 313.372 3.377 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001164414523 1090421483 /nfs/dbraw/zinc/42/14/83/1090421483.db2.gz QKNLAZWOWZXVTM-XEGUGMAKSA-N -1 3 324.218 3.349 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](OC)c1ccc(Br)s1 ZINC001649061709 1090585132 /nfs/dbraw/zinc/58/51/32/1090585132.db2.gz VICCERVATYZSRT-SNVBAGLBSA-N -1 3 322.224 3.216 20 30 DGEDHM Cc1nccc(CCC(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC001649070130 1090588843 /nfs/dbraw/zinc/58/88/43/1090588843.db2.gz RRPHXHCYIBXVJI-UHFFFAOYSA-N -1 3 321.380 3.289 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2ccnn2CC2CCC2)cc(O)c1[O-] ZINC000828140724 1091809577 /nfs/dbraw/zinc/80/95/77/1091809577.db2.gz GTWCFRCQJKMRNG-AATRIKPKSA-N -1 3 312.369 3.299 20 30 DGEDHM [O-]c1cccc(CN2CCC(S)CC2)c1Br ZINC001140551103 1091905898 /nfs/dbraw/zinc/90/58/98/1091905898.db2.gz UJDMOXINOSSMJW-UHFFFAOYSA-N -1 3 302.237 3.049 20 30 DGEDHM CCCCCCC[C@@H](C)C[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC001208465648 1092365296 /nfs/dbraw/zinc/36/52/96/1092365296.db2.gz ZWCGFZNTLMWSRQ-LLVKDONJSA-N -1 3 321.874 3.338 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001209708202 1092889812 /nfs/dbraw/zinc/88/98/12/1092889812.db2.gz YABBGUAHLNOZID-QMMMGPOBSA-N -1 3 316.835 3.193 20 30 DGEDHM COc1ccc([C@H](C)CC(=O)[N-]Oc2cccc(C#N)c2)cc1 ZINC001151431581 1092898470 /nfs/dbraw/zinc/89/84/70/1092898470.db2.gz CHSZVJORQFTYOE-CYBMUJFWSA-N -1 3 310.353 3.171 20 30 DGEDHM [O-]/N=C/c1cccc(-c2cc(F)cc(N3CCOCC3)c2)c1 ZINC001211359012 1093471361 /nfs/dbraw/zinc/47/13/61/1093471361.db2.gz NUUOCYPUUZXJED-XDHOZWIPSA-N -1 3 300.333 3.137 20 30 DGEDHM COC(=O)c1sc(Nc2cc(F)c([O-])c(F)c2)c(C#N)c1C ZINC001213373582 1093574425 /nfs/dbraw/zinc/57/44/25/1093574425.db2.gz MUIGZRUZXGAJPK-UHFFFAOYSA-N -1 3 324.308 3.442 20 30 DGEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC001136643736 1095106377 /nfs/dbraw/zinc/10/63/77/1095106377.db2.gz UXTJMBJUFSKIDT-UHFFFAOYSA-N -1 3 307.349 3.243 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(C(F)F)c2)c1[O-] ZINC001116684626 1095634046 /nfs/dbraw/zinc/63/40/46/1095634046.db2.gz SIZJJRSEBVCTAR-UWVJOHFNSA-N -1 3 306.312 3.145 20 30 DGEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144616654 1095737585 /nfs/dbraw/zinc/73/75/85/1095737585.db2.gz KIIMFCVCHVRTBM-UHFFFAOYSA-N -1 3 315.348 3.141 20 30 DGEDHM Cc1ccc(C(=O)CCC(=O)[N-]Oc2cccc(C#N)c2)s1 ZINC001171246088 1095912671 /nfs/dbraw/zinc/91/26/71/1095912671.db2.gz IMJMAZFCEWKTIZ-UHFFFAOYSA-N -1 3 314.366 3.001 20 30 DGEDHM C=CC(C=C)O[C@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223403480 1095960489 /nfs/dbraw/zinc/96/04/89/1095960489.db2.gz MXFNKQJLTWLLPQ-HNNXBMFYSA-N -1 3 324.739 3.425 20 30 DGEDHM C=CC(C=C)O[C@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223403480 1095960495 /nfs/dbraw/zinc/96/04/95/1095960495.db2.gz MXFNKQJLTWLLPQ-HNNXBMFYSA-N -1 3 324.739 3.425 20 30 DGEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)C1CCCC1 ZINC001119445111 1096202352 /nfs/dbraw/zinc/20/23/52/1096202352.db2.gz GTJXJNSSRTUGLL-CQSZACIVSA-N -1 3 322.355 3.376 20 30 DGEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ncc2C(=O)OCC)C1 ZINC001225899981 1096558078 /nfs/dbraw/zinc/55/80/78/1096558078.db2.gz WFQKIPVZZGXQQE-OCCSQVGLSA-N -1 3 318.373 3.039 20 30 DGEDHM Cc1ccc(N2CCC[C@H](Oc3cc(C#N)ccc3[O-])C2)nc1 ZINC001227351751 1096919439 /nfs/dbraw/zinc/91/94/39/1096919439.db2.gz YQUGCFBQBCHOAF-HNNXBMFYSA-N -1 3 309.369 3.015 20 30 DGEDHM C=CC(C=C)Oc1cccc([O-])c1I ZINC001227379349 1096922840 /nfs/dbraw/zinc/92/28/40/1096922840.db2.gz DZFLQDDRHFPWGZ-UHFFFAOYSA-N -1 3 302.111 3.116 20 30 DGEDHM CCCCCCCC[C@@H](C)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227430538 1096931311 /nfs/dbraw/zinc/93/13/11/1096931311.db2.gz MDHHWUHDCVWXOE-SNVBAGLBSA-N -1 3 308.382 3.282 20 30 DGEDHM CCCCCCCC[C@@H](C)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227430538 1096931316 /nfs/dbraw/zinc/93/13/16/1096931316.db2.gz MDHHWUHDCVWXOE-SNVBAGLBSA-N -1 3 308.382 3.282 20 30 DGEDHM CC[C@@H](C#Cc1ccccc1)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227694752 1096971173 /nfs/dbraw/zinc/97/11/73/1096971173.db2.gz IUENFPJPDGIBFM-ZDUSSCGKSA-N -1 3 322.324 3.075 20 30 DGEDHM C[C@@H](CON)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228126220 1097056627 /nfs/dbraw/zinc/05/66/27/1097056627.db2.gz BFVLBBBSKCGNCT-ZDUSSCGKSA-N -1 3 313.357 3.155 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](Oc2nnc(-c3cccnc3)[n-]2)C(C)(C)O1 ZINC001228696771 1097171316 /nfs/dbraw/zinc/17/13/16/1097171316.db2.gz BNFSJLZVBHIDNF-GUYCJALGSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](Oc2nc(-c3cccnc3)n[n-]2)C(C)(C)O1 ZINC001228696771 1097171319 /nfs/dbraw/zinc/17/13/19/1097171319.db2.gz BNFSJLZVBHIDNF-GUYCJALGSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](Oc2n[n-]c(-c3cccnc3)n2)C(C)(C)O1 ZINC001228696771 1097171323 /nfs/dbraw/zinc/17/13/23/1097171323.db2.gz BNFSJLZVBHIDNF-GUYCJALGSA-N -1 3 314.389 3.148 20 30 DGEDHM C[C@H](C#C[Si](C)(C)C)Oc1ncc(Br)cc1[O-] ZINC001228956949 1097226359 /nfs/dbraw/zinc/22/63/59/1097226359.db2.gz SOIUBBQPQCBJJE-SECBINFHSA-N -1 3 314.255 3.198 20 30 DGEDHM CC[C@H]1OC(C)=C(Oc2cccc([O-])c2Br)C1=O ZINC001229141200 1097263739 /nfs/dbraw/zinc/26/37/39/1097263739.db2.gz JHVMTANSZVRJHR-SECBINFHSA-N -1 3 313.147 3.143 20 30 DGEDHM COc1cc(Nc2cc(C#N)ccc2[O-])cc(OC)c1OC ZINC001173906666 1097535411 /nfs/dbraw/zinc/53/54/11/1097535411.db2.gz VDJLMPQTPLBMCE-UHFFFAOYSA-N -1 3 300.314 3.033 20 30 DGEDHM CCOc1cc(C=NNC2CCSCC2)cc(Cl)c1[O-] ZINC001330896038 1097611526 /nfs/dbraw/zinc/61/15/26/1097611526.db2.gz OIQSBJZIFWUFDP-UHFFFAOYSA-N -1 3 314.838 3.263 20 30 DGEDHM N#C[C@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccccc1F ZINC001231075125 1097662528 /nfs/dbraw/zinc/66/25/28/1097662528.db2.gz XBBFIWPEMLKVGA-ZDUSSCGKSA-N -1 3 313.263 3.257 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C(C)(C)O1 ZINC001231077374 1097663155 /nfs/dbraw/zinc/66/31/55/1097663155.db2.gz SQWIVWGRNGIZDO-YOEHRIQHSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](Oc2cccc(-c3nnn[n-]3)c2)C(C)(C)O1 ZINC001231118610 1097673369 /nfs/dbraw/zinc/67/33/69/1097673369.db2.gz SGCOWQSOMSIKNY-RHSMWYFYSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](Oc2cccc(-c3nn[n-]n3)c2)C(C)(C)O1 ZINC001231118610 1097673372 /nfs/dbraw/zinc/67/33/72/1097673372.db2.gz SGCOWQSOMSIKNY-RHSMWYFYSA-N -1 3 314.389 3.148 20 30 DGEDHM C[C@@H](c1ccccc1)N1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232679671 1098113748 /nfs/dbraw/zinc/11/37/48/1098113748.db2.gz QSJFPTVOMSBUAS-INIZCTEOSA-N -1 3 321.424 3.143 20 30 DGEDHM CN(C)C(=O)c1cc(Nc2cc(C#N)ccc2[O-])ccc1Cl ZINC001176156524 1098277686 /nfs/dbraw/zinc/27/76/86/1098277686.db2.gz ZGXYPNOXQZBSNY-UHFFFAOYSA-N -1 3 315.760 3.363 20 30 DGEDHM Cc1cccc(C)c1N1CCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233388309 1098313077 /nfs/dbraw/zinc/31/30/77/1098313077.db2.gz USKKPTSVTMNNCH-UHFFFAOYSA-N -1 3 321.424 3.203 20 30 DGEDHM N#Cc1cnn(C2CCOCC2)c1Nc1cc([O-])cc(Cl)c1 ZINC001176623758 1098394286 /nfs/dbraw/zinc/39/42/86/1098394286.db2.gz DIJWKQCDNFZAIU-UHFFFAOYSA-N -1 3 318.764 3.209 20 30 DGEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233799140 1098433254 /nfs/dbraw/zinc/43/32/54/1098433254.db2.gz GFKLRHUPANVOIX-VBEHJTROSA-N -1 3 321.373 3.169 20 30 DGEDHM COc1cc(/C=N/[O-])ccc1OC[C@@H]1CCc2ccccc2O1 ZINC001233799592 1098433580 /nfs/dbraw/zinc/43/35/80/1098433580.db2.gz LXPHDDJOXWJINA-BKQORJHRSA-N -1 3 313.353 3.276 20 30 DGEDHM COc1ccc([C@@H](C)Oc2ccc(/C=N/[O-])cc2OC)cn1 ZINC001233803303 1098434420 /nfs/dbraw/zinc/43/44/20/1098434420.db2.gz NHYBQWCIOKBNLZ-PBFYJAPKSA-N -1 3 302.330 3.047 20 30 DGEDHM COC(=O)[C@H](Oc1ccc(C(C)=N[O-])cc1)c1cccc(F)c1 ZINC001234083386 1098491919 /nfs/dbraw/zinc/49/19/19/1098491919.db2.gz KTMXEVRWWNJZKL-MRXNPFEDSA-N -1 3 317.316 3.317 20 30 DGEDHM C/C(=N\C#N)N(C)Cc1ccc(-c2cc([O-])cc(Cl)c2)nc1 ZINC001235901596 1099244854 /nfs/dbraw/zinc/24/48/54/1099244854.db2.gz WOFRBJDRQZWZGZ-RGVLZGJSSA-N -1 3 314.776 3.439 20 30 DGEDHM CC(C)n1cnc(C(=O)[N-]c2sc3ccccc3c2C#N)n1 ZINC001188032633 1099671201 /nfs/dbraw/zinc/67/12/01/1099671201.db2.gz ULHZDUVSWTUSLW-UHFFFAOYSA-N -1 3 311.370 3.198 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001188578195 1099796416 /nfs/dbraw/zinc/79/64/16/1099796416.db2.gz FUMKMCDRAQLRDA-NSHDSACASA-N -1 3 303.374 3.296 20 30 DGEDHM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001188734323 1099843214 /nfs/dbraw/zinc/84/32/14/1099843214.db2.gz JUQVBNYEVQZLAV-UHFFFAOYSA-N -1 3 321.258 3.238 20 30 DGEDHM Cc1cc([O-])c(CN2CCCC[C@@H]2C#N)cc1Br ZINC001237682834 1100213800 /nfs/dbraw/zinc/21/38/00/1100213800.db2.gz TTWYKFYVYHPBPG-GFCCVEGCSA-N -1 3 309.207 3.341 20 30 DGEDHM C=C(C)Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC001190211072 1100224382 /nfs/dbraw/zinc/22/43/82/1100224382.db2.gz LPGFQUCTTLDBJK-UHFFFAOYSA-N -1 3 310.279 3.194 20 30 DGEDHM C=C(C)Cc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001190211072 1100224393 /nfs/dbraw/zinc/22/43/93/1100224393.db2.gz LPGFQUCTTLDBJK-UHFFFAOYSA-N -1 3 310.279 3.194 20 30 DGEDHM CC(C)(c1ccccc1)c1ccc([N-]S(=O)(=O)CC#N)cc1 ZINC001192980493 1100689388 /nfs/dbraw/zinc/68/93/88/1100689388.db2.gz LJVCSXFTJGZVMM-UHFFFAOYSA-N -1 3 314.410 3.278 20 30 DGEDHM Cc1ccccc1-c1cccc([N-]S(=O)(=O)[C@@H](C)C#N)c1 ZINC001193150286 1100712363 /nfs/dbraw/zinc/71/23/63/1100712363.db2.gz DXAZYACNIAQQCC-ZDUSSCGKSA-N -1 3 300.383 3.316 20 30 DGEDHM N#C[C@H](NC(=O)c1ccc([O-])cc1C(F)(F)F)c1ccccc1 ZINC001193733140 1100795347 /nfs/dbraw/zinc/79/53/47/1100795347.db2.gz FPOPTRWUJWHXFY-AWEZNQCLSA-N -1 3 320.270 3.406 20 30 DGEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193759138 1100807464 /nfs/dbraw/zinc/80/74/64/1100807464.db2.gz OCVLEEXPSOKAHA-VIFPVBQESA-N -1 3 300.280 3.079 20 30 DGEDHM COc1nccc(C(=O)[N-]c2c(C#N)ccc(F)c2F)c1Cl ZINC001195196964 1101095488 /nfs/dbraw/zinc/09/54/88/1101095488.db2.gz OGPXANPXSXCPKL-UHFFFAOYSA-N -1 3 323.686 3.146 20 30 DGEDHM N#Cc1ccccc1NC(=S)Nc1ncc([O-])cc1Cl ZINC001196294356 1101283044 /nfs/dbraw/zinc/28/30/44/1101283044.db2.gz YSIJNHYUCYCLPF-UHFFFAOYSA-N -1 3 304.762 3.121 20 30 DGEDHM N#CCc1cc2ccccc2nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241444063 1101463804 /nfs/dbraw/zinc/46/38/04/1101463804.db2.gz JKPRBDKJJVGHRW-UHFFFAOYSA-N -1 3 312.336 3.148 20 30 DGEDHM N#CCc1cc2ccccc2nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241444063 1101463809 /nfs/dbraw/zinc/46/38/09/1101463809.db2.gz JKPRBDKJJVGHRW-UHFFFAOYSA-N -1 3 312.336 3.148 20 30 DGEDHM CSc1cccc(C(=O)Nc2ccc([O-])c(C#N)c2)c1F ZINC001197107306 1101479312 /nfs/dbraw/zinc/47/93/12/1101479312.db2.gz GPZLMOJPJLXPKU-UHFFFAOYSA-N -1 3 302.330 3.377 20 30 DGEDHM [O-]/N=C/c1ccc(F)c(-c2ccccc2CN2CCOCC2)c1 ZINC001241994280 1101840281 /nfs/dbraw/zinc/84/02/81/1101840281.db2.gz TXGAFIKAAVENMO-UDWIEESQSA-N -1 3 314.360 3.133 20 30 DGEDHM C/C(=N\[O-])c1ccc(-c2ccc(C(=O)N(C)C)cc2F)cc1 ZINC001242127394 1101926879 /nfs/dbraw/zinc/92/68/79/1101926879.db2.gz JKQNDXROSRAYRF-YBFXNURJSA-N -1 3 300.333 3.393 20 30 DGEDHM CNC(=O)c1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(Cl)c1 ZINC001243459317 1102734435 /nfs/dbraw/zinc/73/44/35/1102734435.db2.gz NOVVXGSGSCEMLN-SILNSSARSA-N -1 3 314.772 3.491 20 30 DGEDHM COc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c(C#N)c1 ZINC001243729678 1102945286 /nfs/dbraw/zinc/94/52/86/1102945286.db2.gz KLYKWXZVQGEENM-UHFFFAOYSA-N -1 3 311.288 3.331 20 30 DGEDHM C=CCO[N-]C(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC001325415938 1103024831 /nfs/dbraw/zinc/02/48/31/1103024831.db2.gz MPGJNCUTPDSZCS-UHFFFAOYSA-N -1 3 315.373 3.026 20 30 DGEDHM COc1cc(C(F)(F)F)c(C#N)c(-c2ccc([O-])cc2OC)n1 ZINC001243980556 1103104322 /nfs/dbraw/zinc/10/43/22/1103104322.db2.gz SRHZODHOWFHDDD-UHFFFAOYSA-N -1 3 324.258 3.362 20 30 DGEDHM N#CC1(c2cccc(-c3cc(F)cc(-c4nnn[n-]4)c3)c2)CC1 ZINC001244074706 1103189641 /nfs/dbraw/zinc/18/96/41/1103189641.db2.gz GTGBXYODOAEFOM-UHFFFAOYSA-N -1 3 305.316 3.228 20 30 DGEDHM N#CC1(c2cccc(-c3cc(F)cc(-c4nn[n-]n4)c3)c2)CC1 ZINC001244074706 1103189649 /nfs/dbraw/zinc/18/96/49/1103189649.db2.gz GTGBXYODOAEFOM-UHFFFAOYSA-N -1 3 305.316 3.228 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1cccc(C2(C#N)CC2)c1 ZINC001244075785 1103191539 /nfs/dbraw/zinc/19/15/39/1103191539.db2.gz KWGVGBOBZKWWDB-UHFFFAOYSA-N -1 3 301.353 3.397 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1cccc(C2(C#N)CC2)c1 ZINC001244075785 1103191545 /nfs/dbraw/zinc/19/15/45/1103191545.db2.gz KWGVGBOBZKWWDB-UHFFFAOYSA-N -1 3 301.353 3.397 20 30 DGEDHM COc1ncc(-c2nccc(-c3ccccc3)c2C#N)cc1[O-] ZINC001244841286 1103714913 /nfs/dbraw/zinc/71/49/13/1103714913.db2.gz BLDUFYVRGHKTEC-UHFFFAOYSA-N -1 3 303.321 3.396 20 30 DGEDHM COCOc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(OC)c1 ZINC001244923463 1103765324 /nfs/dbraw/zinc/76/53/24/1103765324.db2.gz RELQKZTVWIVLAO-ZPHPHTNESA-N -1 3 313.353 3.469 20 30 DGEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC001251748880 1105690942 /nfs/dbraw/zinc/69/09/42/1105690942.db2.gz AENILGRMSZIBHV-AWEZNQCLSA-N -1 3 324.764 3.022 20 30 DGEDHM N#Cc1c(F)cc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1F ZINC001253046995 1105883137 /nfs/dbraw/zinc/88/31/37/1105883137.db2.gz HWCOTPUEJOVZRA-VOTSOKGWSA-N -1 3 320.320 3.249 20 30 DGEDHM C=CCO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC001320897523 1107180940 /nfs/dbraw/zinc/18/09/40/1107180940.db2.gz FMOBMKMAFNVMPJ-AWEZNQCLSA-N -1 3 309.793 3.025 20 30 DGEDHM N#Cc1cc(F)cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC001260832048 1107325009 /nfs/dbraw/zinc/32/50/09/1107325009.db2.gz DETFFQXMUBDJMV-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM C=C(Br)C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001318098021 1107840629 /nfs/dbraw/zinc/84/06/29/1107840629.db2.gz BNAAMRHBRVMPJB-UHFFFAOYSA-N -1 3 324.552 3.457 20 30 DGEDHM CCSCc1cc(C(=O)[N-]c2cc(C#N)c(F)cc2F)no1 ZINC001288003542 1110151340 /nfs/dbraw/zinc/15/13/40/1110151340.db2.gz RQQJIQKIXBDQSR-UHFFFAOYSA-N -1 3 323.324 3.330 20 30 DGEDHM C=C(C)C[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)OCC ZINC001303111089 1111134382 /nfs/dbraw/zinc/13/43/82/1111134382.db2.gz BFXXUURDGDRDKI-HNNXBMFYSA-N -1 3 319.401 3.143 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccc(Br)cn1 ZINC001306896859 1111247834 /nfs/dbraw/zinc/24/78/34/1111247834.db2.gz PGWBKFTUHJOIQJ-UHFFFAOYSA-N -1 3 301.184 3.256 20 30 DGEDHM CCCCCCN([O-])C(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC001306896603 1111248270 /nfs/dbraw/zinc/24/82/70/1111248270.db2.gz FKEYBENGAOGHNA-UHFFFAOYSA-N -1 3 314.426 3.232 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2noc3c2CCCC3)s1 ZINC000299139126 529510066 /nfs/dbraw/zinc/51/00/66/529510066.db2.gz GZUVHCDGEFVDRO-UHFFFAOYSA-N -1 3 301.371 3.301 20 30 DGEDHM COc1cc(C#N)ccc1CO[N-]C(=O)CCCc1ccccc1 ZINC000159659319 186133681 /nfs/dbraw/zinc/13/36/81/186133681.db2.gz LHIFEXIMFIRQDD-UHFFFAOYSA-N -1 3 324.380 3.138 20 30 DGEDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000131036200 432032395 /nfs/dbraw/zinc/03/23/95/432032395.db2.gz FXHRZUOANLCVSW-UHFFFAOYSA-N -1 3 306.774 3.321 20 30 DGEDHM CCOC(=O)N1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000005293572 181227017 /nfs/dbraw/zinc/22/70/17/181227017.db2.gz GYAPYCPNKZFOEN-LICLKQGHSA-N -1 3 310.781 3.085 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cc([N+](=O)[O-])c(C)cc2C)nc(C)n1 ZINC000422115875 237782229 /nfs/dbraw/zinc/78/22/29/237782229.db2.gz CUKOLOJDXHHBHD-AWEZNQCLSA-N -1 3 324.340 3.109 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(F)c(F)c3)nc1-2 ZINC000429577026 238055847 /nfs/dbraw/zinc/05/58/47/238055847.db2.gz ZXPPICMVBGEWCT-SNVBAGLBSA-N -1 3 312.279 3.035 20 30 DGEDHM C[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435437089 238306512 /nfs/dbraw/zinc/30/65/12/238306512.db2.gz IYHQABYDHAJJJC-NSHDSACASA-N -1 3 312.460 3.257 20 30 DGEDHM C=CCC1(C[N-]S(=O)(=O)c2sccc2OC)CCCC1 ZINC000451950346 241280532 /nfs/dbraw/zinc/28/05/32/241280532.db2.gz GXHAHHJWFNIYKK-UHFFFAOYSA-N -1 3 315.460 3.172 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000135365097 432115747 /nfs/dbraw/zinc/11/57/47/432115747.db2.gz XRRWBILFGZPGSB-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135371665 432115809 /nfs/dbraw/zinc/11/58/09/432115809.db2.gz NLGJBBOFWZOHBW-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=CCn1cccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000488718627 245221090 /nfs/dbraw/zinc/22/10/90/245221090.db2.gz XLUWWIDKTGWLMK-CYBMUJFWSA-N -1 3 302.337 3.107 20 30 DGEDHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000124613925 284261930 /nfs/dbraw/zinc/26/19/30/284261930.db2.gz AFRWEHBSTUUFOU-ZDUSSCGKSA-N -1 3 324.380 3.496 20 30 DGEDHM N#Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000153612665 284680977 /nfs/dbraw/zinc/68/09/77/284680977.db2.gz QHEAMZPTZDRNAX-UHFFFAOYSA-N -1 3 300.745 3.489 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)[N-]c3ccc(C#N)cn3)on2)cc1 ZINC000110289365 194319968 /nfs/dbraw/zinc/31/99/68/194319968.db2.gz ZGANJABNGMCSCV-UHFFFAOYSA-N -1 3 304.309 3.169 20 30 DGEDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160760033 296356999 /nfs/dbraw/zinc/35/69/99/296356999.db2.gz UFRUCCMPYNDEJQ-ZWNOBZJWSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1csc([N-]C(=O)c2csc([C@H]3CCCO3)n2)c1C#N ZINC000288706116 220358845 /nfs/dbraw/zinc/35/88/45/220358845.db2.gz DRWJAUOBMZAAND-LLVKDONJSA-N -1 3 319.411 3.489 20 30 DGEDHM Cc1ccc([O-])c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 ZINC000343880321 254198950 /nfs/dbraw/zinc/19/89/50/254198950.db2.gz QSDDWXCBIILVME-UHFFFAOYSA-N -1 3 321.258 3.238 20 30 DGEDHM Cc1ncc(CO)c(/C=N/c2cc(Cl)ccc2N(C)C)c1[O-] ZINC000005111033 400085927 /nfs/dbraw/zinc/08/59/27/400085927.db2.gz NTEMARMYZPSYFY-UFWORHAWSA-N -1 3 319.792 3.058 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccccc2Cl)c1[O-] ZINC000018138003 400182531 /nfs/dbraw/zinc/18/25/31/400182531.db2.gz KIMMYVWQERPNIR-WHGJXMNKSA-N -1 3 304.777 3.421 20 30 DGEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1[O-] ZINC000024506614 400220144 /nfs/dbraw/zinc/22/01/44/400220144.db2.gz OUYSDYVWVSWVHM-UHFFFAOYSA-N -1 3 319.282 3.193 20 30 DGEDHM COc1ccc2nc(C)cc(C([O-])=C(C#N)c3ccccn3)c2c1 ZINC000093244565 400234246 /nfs/dbraw/zinc/23/42/46/400234246.db2.gz CFLOJXPDGVRHMI-MRXNPFEDSA-N -1 3 317.348 3.437 20 30 DGEDHM N#CC[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000595618180 400208124 /nfs/dbraw/zinc/20/81/24/400208124.db2.gz YNCBANQDZGQPQR-GFCCVEGCSA-N -1 3 322.368 3.207 20 30 DGEDHM N#CCc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1 ZINC000028437270 400290019 /nfs/dbraw/zinc/29/00/19/400290019.db2.gz TWRMASCZJLUIPQ-UHFFFAOYSA-N -1 3 302.337 3.395 20 30 DGEDHM N#Cc1ccc(CCSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000596365005 400392285 /nfs/dbraw/zinc/39/22/85/400392285.db2.gz DBZMGOROQAQILZ-UHFFFAOYSA-N -1 3 311.410 3.407 20 30 DGEDHM Cc1nnc([N-]C(=O)c2c(Cl)cc(C#N)cc2Cl)s1 ZINC000611165789 400352815 /nfs/dbraw/zinc/35/28/15/400352815.db2.gz QCQFNGIKJSLTSU-UHFFFAOYSA-N -1 3 313.169 3.277 20 30 DGEDHM Cc1cccc([O-])c1NC(=O)c1cc2ccccc2n1CC#N ZINC000611517068 400413809 /nfs/dbraw/zinc/41/38/09/400413809.db2.gz HIZOMIYWQOZYQX-UHFFFAOYSA-N -1 3 305.337 3.431 20 30 DGEDHM CC(C)(C)c1cc([N-]C(=O)c2cn(C3CC3)nn2)c(C#N)s1 ZINC000602297830 400436174 /nfs/dbraw/zinc/43/61/74/400436174.db2.gz REQGBYWHKMGRLZ-UHFFFAOYSA-N -1 3 315.402 3.096 20 30 DGEDHM N#CC[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000598745329 400871243 /nfs/dbraw/zinc/87/12/43/400871243.db2.gz JLYONZCMCPFQJE-SNVBAGLBSA-N -1 3 312.291 3.177 20 30 DGEDHM N#CCSCC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000179807953 400880722 /nfs/dbraw/zinc/88/07/22/400880722.db2.gz SVQSYTPEQDYRLQ-UHFFFAOYSA-N -1 3 312.394 3.178 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccc(F)cc1 ZINC000179848855 400880751 /nfs/dbraw/zinc/88/07/51/400880751.db2.gz NWFCCUIXPODYOM-OAHLLOKOSA-N -1 3 320.327 3.205 20 30 DGEDHM Cc1ccccc1OCC(=O)[N-]c1nncn1Cc1ccccc1 ZINC000078774119 400826013 /nfs/dbraw/zinc/82/60/13/400826013.db2.gz YNMQSTSJAYLDKQ-UHFFFAOYSA-N -1 3 322.368 3.302 20 30 DGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000619462628 400851706 /nfs/dbraw/zinc/85/17/06/400851706.db2.gz ULWJZOPAEOLUKO-UHFFFAOYSA-N -1 3 324.764 3.346 20 30 DGEDHM Cc1ccc(-c2nnc(NC(=O)CC3(C#N)CCCCC3)[n-]2)o1 ZINC000598689661 400857643 /nfs/dbraw/zinc/85/76/43/400857643.db2.gz LKYGQJGLJLBTHM-UHFFFAOYSA-N -1 3 313.361 3.176 20 30 DGEDHM Cc1ccc(-c2n[n-]c(NC(=O)CC3(C#N)CCCCC3)n2)o1 ZINC000598689661 400857650 /nfs/dbraw/zinc/85/76/50/400857650.db2.gz LKYGQJGLJLBTHM-UHFFFAOYSA-N -1 3 313.361 3.176 20 30 DGEDHM Cc1ccc(-c2nc(NC(=O)CC3(C#N)CCCCC3)n[n-]2)o1 ZINC000598689661 400857657 /nfs/dbraw/zinc/85/76/57/400857657.db2.gz LKYGQJGLJLBTHM-UHFFFAOYSA-N -1 3 313.361 3.176 20 30 DGEDHM CC(C)C[C@H](C#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598896710 400907615 /nfs/dbraw/zinc/90/76/15/400907615.db2.gz NBQICJMTTTWCON-LLVKDONJSA-N -1 3 300.280 3.079 20 30 DGEDHM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(O)cc1[O-] ZINC000257354083 401109780 /nfs/dbraw/zinc/10/97/80/401109780.db2.gz VPLYIVVMYWDEPZ-UHFFFAOYSA-N -1 3 315.398 3.117 20 30 DGEDHM O=C1CCCCN1Cc1cccc(/N=C/c2cccc([O-])c2O)c1 ZINC000064853194 401252375 /nfs/dbraw/zinc/25/23/75/401252375.db2.gz MFJYUIBTMZSMSV-UDWIEESQSA-N -1 3 324.380 3.361 20 30 DGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cscc1Br ZINC000632301780 401598710 /nfs/dbraw/zinc/59/87/10/401598710.db2.gz NADJHYPAAHGTHN-QMMMGPOBSA-N -1 3 324.265 3.144 20 30 DGEDHM CCCC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000228903603 165390553 /nfs/dbraw/zinc/39/05/53/165390553.db2.gz ROIKJDZPXDGJDO-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM C=CCCCS(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC000291874477 335084698 /nfs/dbraw/zinc/08/46/98/335084698.db2.gz LYEYJAQDQWFCPA-UHFFFAOYSA-N -1 3 315.345 3.208 20 30 DGEDHM COc1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c([O-])c1 ZINC000159319842 228240976 /nfs/dbraw/zinc/24/09/76/228240976.db2.gz BCOHPGSPZBRVQS-CQSZACIVSA-N -1 3 316.744 3.049 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC2=CCCCC2)c1 ZINC000160778798 228249434 /nfs/dbraw/zinc/24/94/34/228249434.db2.gz HZRRYZGBQPQOAC-UHFFFAOYSA-N -1 3 324.833 3.380 20 30 DGEDHM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000187475479 228431204 /nfs/dbraw/zinc/43/12/04/228431204.db2.gz HRIBHCCHWHSPRS-OAHLLOKOSA-N -1 3 302.337 3.066 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c(F)c1 ZINC000194690095 228596791 /nfs/dbraw/zinc/59/67/91/228596791.db2.gz PVCSGAYISHERKX-CZUORRHYSA-N -1 3 324.421 3.026 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc3nccc(C)c3c2)nc(C)n1 ZINC000353525533 229279406 /nfs/dbraw/zinc/27/94/06/229279406.db2.gz GUMKGYRVEOSEEX-INIZCTEOSA-N -1 3 316.364 3.440 20 30 DGEDHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523568952 266943181 /nfs/dbraw/zinc/94/31/81/266943181.db2.gz JUVVRZVHQBYTCC-KGLIPLIRSA-N -1 3 324.421 3.190 20 30 DGEDHM N#Cc1ccccc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070975943 431265483 /nfs/dbraw/zinc/26/54/83/431265483.db2.gz HKYZTBBOFRCXDF-IBGZPJMESA-N -1 3 322.408 3.445 20 30 DGEDHM N#CC(=C([O-])c1cccc(OC[C@@H]2CCCO2)c1)c1ccccn1 ZINC000073970452 431392529 /nfs/dbraw/zinc/39/25/29/431392529.db2.gz GCECPERYOZJGJU-DLBZAZTESA-N -1 3 322.364 3.129 20 30 DGEDHM N#CC(=C([O-])c1ccccc1OC[C@H]1CCCO1)c1ccccn1 ZINC000078732647 431703117 /nfs/dbraw/zinc/70/31/17/431703117.db2.gz WDBWXWQGKLPTIN-GDBMZVCRSA-N -1 3 322.364 3.129 20 30 DGEDHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000122897755 431848099 /nfs/dbraw/zinc/84/80/99/431848099.db2.gz UZXZUJBPDBMSTA-VCBXAZPMSA-N -1 3 312.207 3.389 20 30 DGEDHM O=C(Cc1cccc(F)c1F)Nc1nnc(-c2ccco2)[n-]1 ZINC000087279580 431853127 /nfs/dbraw/zinc/85/31/27/431853127.db2.gz DYNHEOQWHMVATN-UHFFFAOYSA-N -1 3 304.256 3.174 20 30 DGEDHM O=C(Cc1cccc(F)c1F)Nc1nc(-c2ccco2)n[n-]1 ZINC000087279580 431853130 /nfs/dbraw/zinc/85/31/30/431853130.db2.gz DYNHEOQWHMVATN-UHFFFAOYSA-N -1 3 304.256 3.174 20 30 DGEDHM O=C(Cc1cccc(F)c1F)Nc1n[n-]c(-c2ccco2)n1 ZINC000087279580 431853132 /nfs/dbraw/zinc/85/31/32/431853132.db2.gz DYNHEOQWHMVATN-UHFFFAOYSA-N -1 3 304.256 3.174 20 30 DGEDHM N#CCN(Cc1cc([O-])ccc1Br)C1CCCC1 ZINC000093563360 431915791 /nfs/dbraw/zinc/91/57/91/431915791.db2.gz GKVHSSBEWBNFCE-UHFFFAOYSA-N -1 3 309.207 3.423 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)ccc1[O-] ZINC000093901795 431918130 /nfs/dbraw/zinc/91/81/30/431918130.db2.gz CYJNUXYCXKUBOY-BQYQJAHWSA-N -1 3 314.385 3.328 20 30 DGEDHM CCCN(CC#N)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094034689 431918463 /nfs/dbraw/zinc/91/84/63/431918463.db2.gz KXSQECPMEUBHJY-UHFFFAOYSA-N -1 3 324.380 3.347 20 30 DGEDHM Cc1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000094982972 431920689 /nfs/dbraw/zinc/92/06/89/431920689.db2.gz GZBWZGKZBHGVGJ-UHFFFAOYSA-N -1 3 306.774 3.321 20 30 DGEDHM COCCOC(=O)Nc1cccc(N=Cc2ccccc2[O-])c1 ZINC000255318548 432410309 /nfs/dbraw/zinc/41/03/09/432410309.db2.gz GSTXJIUBRMIGBI-UHFFFAOYSA-N -1 3 314.341 3.338 20 30 DGEDHM N#Cc1ccsc1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000193273078 432460464 /nfs/dbraw/zinc/46/04/64/432460464.db2.gz NEAXDXYVEFFRSR-UHFFFAOYSA-N -1 3 300.236 3.428 20 30 DGEDHM CN(CCC(=O)[O-])Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000263420555 432542859 /nfs/dbraw/zinc/54/28/59/432542859.db2.gz ORWDBNAEBAQGMR-UHFFFAOYSA-N -1 3 324.380 3.044 20 30 DGEDHM COc1cc(C#N)ccc1CSc1n[n-]c(-c2ccccn2)n1 ZINC000155211061 432544064 /nfs/dbraw/zinc/54/40/64/432544064.db2.gz WKVLDGPQFNWVIC-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(F)c1 ZINC000194690077 432568504 /nfs/dbraw/zinc/56/85/04/432568504.db2.gz PVCSGAYISHERKX-BBRMVZONSA-N -1 3 324.421 3.026 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c(F)c1 ZINC000194690060 432569729 /nfs/dbraw/zinc/56/97/29/432569729.db2.gz PVCSGAYISHERKX-XJKSGUPXSA-N -1 3 324.421 3.026 20 30 DGEDHM [O-]c1ccccc1/C=N/CC1CCN(CC(F)(F)F)CC1 ZINC000186937609 432638022 /nfs/dbraw/zinc/63/80/22/432638022.db2.gz BJHSACLEPUBBRG-VXLYETTFSA-N -1 3 300.324 3.085 20 30 DGEDHM C=C[C@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000158716311 432656246 /nfs/dbraw/zinc/65/62/46/432656246.db2.gz DVSKQBYJHAFHDB-CYBMUJFWSA-N -1 3 319.368 3.165 20 30 DGEDHM C=C[C@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000158716311 432656252 /nfs/dbraw/zinc/65/62/52/432656252.db2.gz DVSKQBYJHAFHDB-CYBMUJFWSA-N -1 3 319.368 3.165 20 30 DGEDHM C=C[C@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000158716311 432656257 /nfs/dbraw/zinc/65/62/57/432656257.db2.gz DVSKQBYJHAFHDB-CYBMUJFWSA-N -1 3 319.368 3.165 20 30 DGEDHM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1ccccn1 ZINC000159752588 432695933 /nfs/dbraw/zinc/69/59/33/432695933.db2.gz KFAVBAVCTZPIPQ-OAHLLOKOSA-N -1 3 300.321 3.029 20 30 DGEDHM CC[C@@H](CC#N)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188141229 432707633 /nfs/dbraw/zinc/70/76/33/432707633.db2.gz VKRIMKCAIJOERY-QMMMGPOBSA-N -1 3 308.794 3.214 20 30 DGEDHM CC[C@H](CC#N)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189126799 432764652 /nfs/dbraw/zinc/76/46/52/432764652.db2.gz LMVCSBVTEAPCQW-MRXNPFEDSA-N -1 3 322.364 3.045 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c(Cl)c1 ZINC000178810205 432779214 /nfs/dbraw/zinc/77/92/14/432779214.db2.gz SIERUJMWWMWZND-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CCS[C@@H]1CCC[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000267298119 432830353 /nfs/dbraw/zinc/83/03/53/432830353.db2.gz JQLOHFBQSNLZNG-LQZLSNDWSA-N -1 3 308.447 3.071 20 30 DGEDHM Cc1cc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c(C)s1 ZINC000298333614 433095921 /nfs/dbraw/zinc/09/59/21/433095921.db2.gz HMHRODOFTGCVPR-NZWFQIHVSA-N -1 3 304.415 3.446 20 30 DGEDHM CCCOc1ccc(/C=N/CCc2nnc(C)s2)c([O-])c1 ZINC000290559835 433097184 /nfs/dbraw/zinc/09/71/84/433097184.db2.gz NIBZSNZWTBNOEF-MHWRWJLKSA-N -1 3 305.403 3.003 20 30 DGEDHM CCc1csc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000447442551 433202262 /nfs/dbraw/zinc/20/22/62/433202262.db2.gz SAFYQOJBQKJPPO-UHFFFAOYSA-N -1 3 324.365 3.484 20 30 DGEDHM CCOCCOCc1cccc(/N=C/c2cccc([O-])c2O)c1 ZINC000298693859 433216206 /nfs/dbraw/zinc/21/62/06/433216206.db2.gz ZANVHCUQGWOVFR-XDHOZWIPSA-N -1 3 315.369 3.402 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)(F)F)nc2)nc(C)n1 ZINC000453587503 433218625 /nfs/dbraw/zinc/21/86/25/433218625.db2.gz XTBDFPJGPSHKCO-LBPRGKRZSA-N -1 3 316.311 3.090 20 30 DGEDHM Cc1ncc(CO)c(/C=N/c2cccc(OCC(C)C)c2)c1[O-] ZINC000298762186 433242276 /nfs/dbraw/zinc/24/22/76/433242276.db2.gz DCUDINPMUQBCOW-AWQFTUOYSA-N -1 3 314.385 3.373 20 30 DGEDHM COCc1nocc1C(=O)[N-]c1sc(C(C)(C)C)cc1C#N ZINC000425609876 433319168 /nfs/dbraw/zinc/31/91/68/433319168.db2.gz QLCURZQCXZXYNX-UHFFFAOYSA-N -1 3 319.386 3.304 20 30 DGEDHM C=CCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000447929217 433324880 /nfs/dbraw/zinc/32/48/80/433324880.db2.gz HEESPXKUPTVMMW-UHFFFAOYSA-N -1 3 311.300 3.089 20 30 DGEDHM Cc1c(/N=C/c2cccc([O-])c2O)cccc1C(=O)N1CCCC1 ZINC000299523849 433371651 /nfs/dbraw/zinc/37/16/51/433371651.db2.gz PAJJLDBMHVDDNW-UDWIEESQSA-N -1 3 324.380 3.393 20 30 DGEDHM C=CCCCS(=O)(=O)[N-]c1ccc2c(c1)nc(C1CC1)n2C ZINC000291913065 433390556 /nfs/dbraw/zinc/39/05/56/433390556.db2.gz SULYZDOJKJUJIT-UHFFFAOYSA-N -1 3 319.430 3.159 20 30 DGEDHM Cc1cccnc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362120949 433533339 /nfs/dbraw/zinc/53/33/39/433533339.db2.gz ZXBHHKKYFOCACX-NSHDSACASA-N -1 3 305.259 3.294 20 30 DGEDHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426738100 433578196 /nfs/dbraw/zinc/57/81/96/433578196.db2.gz STUIIGCNQNZLMO-OAHLLOKOSA-N -1 3 300.745 3.127 20 30 DGEDHM C=CCCCS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000292812882 433599534 /nfs/dbraw/zinc/59/95/34/433599534.db2.gz AHTGNWZVQZNWAZ-CQSZACIVSA-N -1 3 322.455 3.118 20 30 DGEDHM Cc1cc([C@@H](NCc2cccc(C#N)c2)C(=O)[O-])ccc1Cl ZINC000426826859 433614741 /nfs/dbraw/zinc/61/47/41/433614741.db2.gz GNHNJECEBHDYHC-MRXNPFEDSA-N -1 3 314.772 3.436 20 30 DGEDHM CC(C)OCc1cc(NC(=O)c2ccc(C#N)o2)ccc1[O-] ZINC000356620179 433627216 /nfs/dbraw/zinc/62/72/16/433627216.db2.gz ZNVLZGCJAWQGJV-UHFFFAOYSA-N -1 3 300.314 3.034 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(F)c1 ZINC000342453678 433701698 /nfs/dbraw/zinc/70/16/98/433701698.db2.gz UGRAGFQAFSXAKY-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM C=CCOC(=O)c1sc2[n-]c(CC3CCC3)nc(=O)c2c1C ZINC000284979130 433911372 /nfs/dbraw/zinc/91/13/72/433911372.db2.gz FUORZRQEFFLHDW-UHFFFAOYSA-N -1 3 318.398 3.391 20 30 DGEDHM N#Cc1c[nH]c(-c2nc(-c3ccc([O-])c4ccccc34)no2)c1 ZINC000436613607 434037343 /nfs/dbraw/zinc/03/73/43/434037343.db2.gz RGNHFMQGAVAJHU-UHFFFAOYSA-N -1 3 302.293 3.462 20 30 DGEDHM C=CCn1cccc1-c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000436876435 434147749 /nfs/dbraw/zinc/14/77/49/434147749.db2.gz IVTYVEICKNSJRA-UHFFFAOYSA-N -1 3 311.341 3.495 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(OC)ccc1OC(F)F ZINC000295001795 434157632 /nfs/dbraw/zinc/15/76/32/434157632.db2.gz PASWMTALOVYIBF-UHFFFAOYSA-N -1 3 321.270 3.124 20 30 DGEDHM C[C@@H]1C[C@]1(C#N)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450419829 434167520 /nfs/dbraw/zinc/16/75/20/434167520.db2.gz PHQYIOAEANQAGR-BFUOFWGJSA-N -1 3 306.365 3.471 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC2CCCCC2)cc1 ZINC000416945934 434258605 /nfs/dbraw/zinc/25/86/05/434258605.db2.gz FMVHAHLHHMSICS-MRXNPFEDSA-N -1 3 322.430 3.442 20 30 DGEDHM Cc1ccc([O-])c(NC(=O)c2cnc([C@H]3CCCO3)s2)n1 ZINC000329767693 434476043 /nfs/dbraw/zinc/47/60/43/434476043.db2.gz ZWQQJMOZWURBGC-SNVBAGLBSA-N -1 3 305.359 3.040 20 30 DGEDHM CCc1noc(C)c1[N-]C(=O)c1nnn(CC2CCCC2)c1C ZINC000329875406 434500898 /nfs/dbraw/zinc/50/08/98/434500898.db2.gz GLMTYWDZIUVZOJ-UHFFFAOYSA-N -1 3 317.393 3.272 20 30 DGEDHM C[C@@H](CC#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000439058698 434559959 /nfs/dbraw/zinc/55/99/59/434559959.db2.gz MTMPXZRSAGLMGL-AWEZNQCLSA-N -1 3 308.381 3.209 20 30 DGEDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000370434489 434613728 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C=C(C)CN(Cc1ccccc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566688127 435288055 /nfs/dbraw/zinc/28/80/55/435288055.db2.gz USRVDHXHOWHHOD-UHFFFAOYSA-N -1 3 323.396 3.278 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccn1C ZINC000643778770 435370078 /nfs/dbraw/zinc/37/00/78/435370078.db2.gz NAJUTWQFPKKGFJ-GFCCVEGCSA-N -1 3 307.275 3.237 20 30 DGEDHM CCOc1cc(-c2noc(-c3ncc(C#N)cc3C)n2)ccc1[O-] ZINC000559979917 314897996 /nfs/dbraw/zinc/89/79/96/314897996.db2.gz ZWXMNDZYXHVWQC-UHFFFAOYSA-N -1 3 322.324 3.083 20 30 DGEDHM CC(=O)c1ccc(F)cc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000184862222 323375892 /nfs/dbraw/zinc/37/58/92/323375892.db2.gz ZETMGBLDWSLYSW-UHFFFAOYSA-N -1 3 318.254 3.430 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000081056435 331485171 /nfs/dbraw/zinc/48/51/71/331485171.db2.gz XFEOKSZRKOVVRG-MRVPVSSYSA-N -1 3 324.265 3.062 20 30 DGEDHM C=CCN(Cc1ccccc1F)[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000297731309 331606012 /nfs/dbraw/zinc/60/60/12/331606012.db2.gz 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619339966 /nfs/dbraw/zinc/33/99/66/619339966.db2.gz PVMFAUCKPWZBHE-ALCCZGGFSA-N -1 3 300.333 3.424 20 30 DGEDHM C[C@@H](C(=O)[O-])[C@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000900033292 619393370 /nfs/dbraw/zinc/39/33/70/619393370.db2.gz WQQPASBJTTUIJP-ABAIWWIYSA-N -1 3 300.383 3.171 20 30 DGEDHM C[C@H](C(=O)[O-])[C@@H](NCc1csc(C#N)c1)c1ccccc1 ZINC000900033295 619393412 /nfs/dbraw/zinc/39/34/12/619393412.db2.gz WQQPASBJTTUIJP-XHDPSFHLSA-N -1 3 300.383 3.171 20 30 DGEDHM O=C(c1cnn2c1CCCC2)N([O-])Cc1cccc2ccccc21 ZINC000900091993 619404123 /nfs/dbraw/zinc/40/41/23/619404123.db2.gz VZOXAGRNTNITLG-UHFFFAOYSA-N -1 3 321.380 3.404 20 30 DGEDHM O=C(c1cccc(N2CCCC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000900093937 619404143 /nfs/dbraw/zinc/40/41/43/619404143.db2.gz CIACOIAJEDDSSG-UHFFFAOYSA-N -1 3 314.360 3.458 20 30 DGEDHM Cc1nn(C)c(C)c1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901370465 619490519 /nfs/dbraw/zinc/49/05/19/619490519.db2.gz IGJMSGIAHMQJJL-UHFFFAOYSA-N -1 3 323.396 3.151 20 30 DGEDHM C[C@@H](COCC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901371668 619490617 /nfs/dbraw/zinc/49/06/17/619490617.db2.gz GXMLEAXRNDSGDN-AWEZNQCLSA-N -1 3 317.360 3.364 20 30 DGEDHM C=CCOc1ccccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375177 619491777 /nfs/dbraw/zinc/49/17/77/619491777.db2.gz DZHORXWXTVGNLM-UHFFFAOYSA-N -1 3 301.317 3.422 20 30 DGEDHM Cn1cc(CC(=O)N([O-])Cc2ccc(F)cc2)c2ccccc21 ZINC000901375732 619491942 /nfs/dbraw/zinc/49/19/42/619491942.db2.gz LJDPDEQNLINYSO-UHFFFAOYSA-N -1 3 312.344 3.278 20 30 DGEDHM O=C(c1cnc(-c2ccccc2)nc1)N([O-])Cc1ccc(F)cc1 ZINC000901374965 619491952 /nfs/dbraw/zinc/49/19/52/619491952.db2.gz YKKNPWICWREJKE-UHFFFAOYSA-N -1 3 323.327 3.314 20 30 DGEDHM Cc1nn(C)cc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901377911 619492295 /nfs/dbraw/zinc/49/22/95/619492295.db2.gz CDXDMJTWMLCZPU-UHFFFAOYSA-N -1 3 314.172 3.067 20 30 DGEDHM COc1cc(C(=O)C=Cc2nc(C(C)C)c[nH]2)c(OC)cc1[O-] ZINC000901485794 619509831 /nfs/dbraw/zinc/50/98/31/619509831.db2.gz PEIBBNJLIYGBIU-WAYWQWQTSA-N -1 3 316.357 3.152 20 30 DGEDHM Cc1nn(C)c(C)c1CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904187360 619889886 /nfs/dbraw/zinc/88/98/86/619889886.db2.gz KBZMFFRPJFKYPH-UHFFFAOYSA-N -1 3 321.808 3.041 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000904207128 619893662 /nfs/dbraw/zinc/89/36/62/619893662.db2.gz RLPVAPHJPNDIKZ-LLVKDONJSA-N -1 3 307.316 3.175 20 30 DGEDHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188729 619894458 /nfs/dbraw/zinc/89/44/58/619894458.db2.gz LOZXPOZKYRXXLJ-SNVBAGLBSA-N -1 3 321.808 3.212 20 30 DGEDHM COC(=O)CC(C)(C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904190848 619895207 /nfs/dbraw/zinc/89/52/07/619895207.db2.gz RTAYPQMKKQHISE-UHFFFAOYSA-N -1 3 313.781 3.037 20 30 DGEDHM O=C([C@@H]1CCN1C1CCCC1)N([O-])Cc1ccccc1Cl ZINC000904192538 619895676 /nfs/dbraw/zinc/89/56/76/619895676.db2.gz PICAAZRVIJNGSK-HNNXBMFYSA-N -1 3 308.809 3.075 20 30 DGEDHM O=C(N([O-])CCCCc1ccccc1)C1(c2ccccn2)CC1 ZINC000904196011 619896427 /nfs/dbraw/zinc/89/64/27/619896427.db2.gz MZDDRQMBRGDSDM-UHFFFAOYSA-N -1 3 310.397 3.354 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000904205325 619898092 /nfs/dbraw/zinc/89/80/92/619898092.db2.gz IAIHMBIFYFYKJX-UHFFFAOYSA-N -1 3 317.389 3.066 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1c(C)nn(C(F)F)c1C ZINC000904205854 619898689 /nfs/dbraw/zinc/89/86/89/619898689.db2.gz VQMPRSJPNPDRPW-UHFFFAOYSA-N -1 3 303.353 3.236 20 30 DGEDHM CCCCN([O-])C(=O)CCCCC(=O)c1ccc(OC)cc1 ZINC000904211736 619900896 /nfs/dbraw/zinc/90/08/96/619900896.db2.gz CEWPIUANHABMMF-UHFFFAOYSA-N -1 3 307.390 3.456 20 30 DGEDHM C=CCCN(C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907640005 620164893 /nfs/dbraw/zinc/16/48/93/620164893.db2.gz PKBUUUZFTUVPPH-UHFFFAOYSA-N -1 3 311.407 3.138 20 30 DGEDHM CNC(=O)Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000912961810 620416213 /nfs/dbraw/zinc/41/62/13/620416213.db2.gz HAGLVGLQYIVYBS-UHFFFAOYSA-N -1 3 302.761 3.085 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cnc3ccc(C)cn23)ccc1[O-] ZINC000151389485 620444087 /nfs/dbraw/zinc/44/40/87/620444087.db2.gz HSPKAERIIRMILV-FNORWQNLSA-N -1 3 308.337 3.253 20 30 DGEDHM CC(=NNC(=S)NC1CCCCC1)c1cc(F)ccc1[O-] ZINC000915927950 620607450 /nfs/dbraw/zinc/60/74/50/620607450.db2.gz IUTSTFRZNGPTJA-UHFFFAOYSA-N -1 3 309.410 3.052 20 30 DGEDHM Cc1cc(NN=Cc2cc(Br)ccc2[O-])nc(C)n1 ZINC000915970840 620609920 /nfs/dbraw/zinc/60/99/20/620609920.db2.gz PESZZCPTNCWCTQ-UHFFFAOYSA-N -1 3 321.178 3.008 20 30 DGEDHM CCCCC1N=NC(=S)N1N=Cc1cc(Cl)ccc1[O-] ZINC000916302364 620625206 /nfs/dbraw/zinc/62/52/06/620625206.db2.gz ODIYJLTUEGUAKA-UHFFFAOYSA-N -1 3 310.810 3.151 20 30 DGEDHM N#CC[C@@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000855257042 620885156 /nfs/dbraw/zinc/88/51/56/620885156.db2.gz WDFJRHLZYKNKBY-NSHDSACASA-N -1 3 300.383 3.373 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2oc(C(=O)OC)cc2C)s1 ZINC000888352050 620916862 /nfs/dbraw/zinc/91/68/62/620916862.db2.gz GDSDPMAFCDDMJB-UHFFFAOYSA-N -1 3 318.354 3.123 20 30 DGEDHM C#CCO[N-]C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000855604016 620917400 /nfs/dbraw/zinc/91/74/00/620917400.db2.gz XOOVCSSVGUSFCX-STQMWFEESA-N -1 3 312.394 3.027 20 30 DGEDHM C=CCCO[N-]C(=O)CCc1ccc(Br)c(C)c1 ZINC000856032758 620955121 /nfs/dbraw/zinc/95/51/21/620955121.db2.gz PIDQROWUNOYYII-UHFFFAOYSA-N -1 3 312.207 3.314 20 30 DGEDHM C=CCCO[N-]C(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1 ZINC000856033760 620955906 /nfs/dbraw/zinc/95/59/06/620955906.db2.gz PXRWEAPODFUETH-UHFFFAOYSA-N -1 3 319.401 3.308 20 30 DGEDHM COc1cccc2c(C(=O)OCC3CCC(C#N)CC3)n[n-]c21 ZINC000922736493 621090976 /nfs/dbraw/zinc/09/09/76/621090976.db2.gz AMIOHCJWSVQTAS-UHFFFAOYSA-N -1 3 313.357 3.058 20 30 DGEDHM COc1cccc2c(C(=O)OCC3CCC(C#N)CC3)[n-]nc21 ZINC000922736493 621090980 /nfs/dbraw/zinc/09/09/80/621090980.db2.gz AMIOHCJWSVQTAS-UHFFFAOYSA-N -1 3 313.357 3.058 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3nc(Cl)cs3)[nH]c21 ZINC000789429224 625493967 /nfs/dbraw/zinc/49/39/67/625493967.db2.gz CQTOTPOIOOOKPC-MRVPVSSYSA-N -1 3 316.773 3.471 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cn(-c2ccccc2)nn1 ZINC000755032516 621547960 /nfs/dbraw/zinc/54/79/60/621547960.db2.gz VCYVPQBUGLGTLE-GIJQJNRQSA-N -1 3 312.760 3.245 20 30 DGEDHM Cc1c([O-])ccc2c(CN(CCC#N)CC(C)C)cc(=O)oc12 ZINC000755668970 621585074 /nfs/dbraw/zinc/58/50/74/621585074.db2.gz FKRWETKWWZQHAP-UHFFFAOYSA-N -1 3 314.385 3.179 20 30 DGEDHM [O-]c1ccc(C=NNc2ccc(Br)cc2F)nc1 ZINC000755698636 621586500 /nfs/dbraw/zinc/58/65/00/621586500.db2.gz LLCDRXJBWIZRJN-UHFFFAOYSA-N -1 3 310.126 3.135 20 30 DGEDHM C#CC[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000862571887 621602626 /nfs/dbraw/zinc/60/26/26/621602626.db2.gz YTETUQOFHKDDCS-KRWDZBQOSA-N -1 3 319.404 3.468 20 30 DGEDHM C=CCC[C@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000756379288 621633021 /nfs/dbraw/zinc/63/30/21/621633021.db2.gz MCCRBCQFAVQBJR-NSHDSACASA-N -1 3 308.428 3.381 20 30 DGEDHM Cc1cc(N=NC(C)c2ccc(Br)cc2[O-])ncn1 ZINC000756828759 621667054 /nfs/dbraw/zinc/66/70/54/621667054.db2.gz HWXCSPIHVHYDKR-UHFFFAOYSA-N -1 3 321.178 3.089 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CC2(CO1)CCOCC2 ZINC000864349221 621759152 /nfs/dbraw/zinc/75/91/52/621759152.db2.gz UVYSGTGWGMEOER-UHPUNMKFSA-N -1 3 309.793 3.050 20 30 DGEDHM C[C@@H]1CCC[C@H]([C@@H](CNCc2nc(C#N)cs2)CC(=O)[O-])C1 ZINC000864532873 621780769 /nfs/dbraw/zinc/78/07/69/621780769.db2.gz JLKJPAQSIWELDE-FRRDWIJNSA-N -1 3 321.446 3.022 20 30 DGEDHM C[C@H](C[C@H]1CCOC1)/N=C/c1cc(Br)ccc1[O-] ZINC000759643365 621878549 /nfs/dbraw/zinc/87/85/49/621878549.db2.gz MGYQEIHJIIOZEW-YAGJMYGCSA-N -1 3 312.207 3.389 20 30 DGEDHM COC[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1ccc(C)o1 ZINC000866277726 622083337 /nfs/dbraw/zinc/08/33/37/622083337.db2.gz PNITZHPFKKSDLF-WFASDCNBSA-N -1 3 300.358 3.204 20 30 DGEDHM C[C@H](NCc1ccn(C2CCCC2)n1)c1cccc(C#N)c1[O-] ZINC000866308041 622090330 /nfs/dbraw/zinc/09/03/30/622090330.db2.gz OYYPQJCUKUPRLK-ZDUSSCGKSA-N -1 3 310.401 3.426 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccc(F)cn1 ZINC000763096450 622122936 /nfs/dbraw/zinc/12/29/36/622122936.db2.gz IOXKSXWQJDDZMB-OMCISZLKSA-N -1 3 309.138 3.308 20 30 DGEDHM Cc1ncc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 ZINC000764307870 622187664 /nfs/dbraw/zinc/18/76/64/622187664.db2.gz VZUPCLGQUIVJIV-UHFFFAOYSA-N -1 3 322.733 3.137 20 30 DGEDHM C#CCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000764449227 622194425 /nfs/dbraw/zinc/19/44/25/622194425.db2.gz HTDSPYASAOWZGR-UHFFFAOYSA-N -1 3 307.349 3.422 20 30 DGEDHM C#CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000764449239 622194772 /nfs/dbraw/zinc/19/47/72/622194772.db2.gz IKPBKYXMSZVCRT-UHFFFAOYSA-N -1 3 305.377 3.221 20 30 DGEDHM C#CCN(CC)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000764513187 622200058 /nfs/dbraw/zinc/20/00/58/622200058.db2.gz GCCXXBSOWACPAS-UHFFFAOYSA-N -1 3 307.393 3.273 20 30 DGEDHM C=CCCC[C@H](C)OC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000765487346 622267952 /nfs/dbraw/zinc/26/79/52/622267952.db2.gz DQLOBUVRFBPERV-NSHDSACASA-N -1 3 307.346 3.472 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\CCOCC(F)(F)C(F)F ZINC000765969741 622296864 /nfs/dbraw/zinc/29/68/64/622296864.db2.gz HNTQDZROVMYKQU-FXBPXSCXSA-N -1 3 313.678 3.382 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)/C(C)=C/c1ccc(Br)o1 ZINC000869153318 622322925 /nfs/dbraw/zinc/32/29/25/622322925.db2.gz BENXVVZXDREGOP-FCZSHJHJSA-N -1 3 300.152 3.068 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)/C(C)=C\c1ccc(Br)o1 ZINC000869153320 622322973 /nfs/dbraw/zinc/32/29/73/622322973.db2.gz BENXVVZXDREGOP-FUOZMLNRSA-N -1 3 300.152 3.068 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(Cl)nc2)c(OC)cc1[O-] ZINC000122486958 622334915 /nfs/dbraw/zinc/33/49/15/622334915.db2.gz HVADSKPCBAMAKL-HWKANZROSA-N -1 3 319.744 3.354 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H]2CC(C)(C)c3ccccc32)c1[O-] ZINC000769773367 622558869 /nfs/dbraw/zinc/55/88/69/622558869.db2.gz DNSYNIGIDMOPDA-SOFYTKRASA-N -1 3 310.397 3.429 20 30 DGEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)sc1C ZINC000774042264 623101361 /nfs/dbraw/zinc/10/13/61/623101361.db2.gz FUNONHQUIYAGTP-ZDUSSCGKSA-N -1 3 313.382 3.030 20 30 DGEDHM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000790310317 625634462 /nfs/dbraw/zinc/63/44/62/625634462.db2.gz DGAKLKQYOIIMEF-UHFFFAOYSA-N -1 3 307.256 3.415 20 30 DGEDHM N#Cc1ccc(COC(=O)c2cccc(Cl)c2[O-])c(F)c1 ZINC000775928541 623351886 /nfs/dbraw/zinc/35/18/86/623351886.db2.gz DPWAYEZBQWKTSQ-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1F ZINC000776273018 623405319 /nfs/dbraw/zinc/40/53/19/623405319.db2.gz ARAWDSUALXAWGH-VIFPVBQESA-N -1 3 303.264 3.460 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@@H](Cc3ccccc3)C2)c1[O-] ZINC000782193761 624217837 /nfs/dbraw/zinc/21/78/37/624217837.db2.gz FKBAFPPWHVCYHM-OLTAIVCZSA-N -1 3 324.424 3.418 20 30 DGEDHM C#CCCCN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879468436 624559672 /nfs/dbraw/zinc/55/96/72/624559672.db2.gz SPXDWKRUTYCRQS-CYBMUJFWSA-N -1 3 324.346 3.072 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCCCc1ccc(OC)c(OC)c1 ZINC000880548995 624976016 /nfs/dbraw/zinc/97/60/16/624976016.db2.gz KLXBRBLWTMRGSG-CYBMUJFWSA-N -1 3 307.390 3.039 20 30 DGEDHM Cc1cncc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000130528116 625867025 /nfs/dbraw/zinc/86/70/25/625867025.db2.gz KJDRBESKEJXBGV-RQZCQDPDSA-N -1 3 305.175 3.477 20 30 DGEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000797548516 626151948 /nfs/dbraw/zinc/15/19/48/626151948.db2.gz GKDHYAHLNJCJMS-ZDUSSCGKSA-N -1 3 316.744 3.457 20 30 DGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccoc2C2CC2)c1 ZINC000798815833 626247534 /nfs/dbraw/zinc/24/75/34/626247534.db2.gz DIKHHGHVRIJNLY-OAHLLOKOSA-N -1 3 308.337 3.427 20 30 DGEDHM COc1cccc2c(C(=O)O[C@@H](C)c3cccc(C#N)c3)n[n-]c21 ZINC000808675716 626848185 /nfs/dbraw/zinc/84/81/85/626848185.db2.gz QFGOAWNLMHKTNG-NSHDSACASA-N -1 3 321.336 3.361 20 30 DGEDHM COc1cccc2c(C(=O)O[C@@H](C)c3cccc(C#N)c3)[n-]nc21 ZINC000808675716 626848187 /nfs/dbraw/zinc/84/81/87/626848187.db2.gz QFGOAWNLMHKTNG-NSHDSACASA-N -1 3 321.336 3.361 20 30 DGEDHM COc1cccc2c(C(=O)OCc3ccc(C#N)c(C)c3)n[n-]c21 ZINC000808673714 626848222 /nfs/dbraw/zinc/84/82/22/626848222.db2.gz ICDRUAJUNIUMRI-UHFFFAOYSA-N -1 3 321.336 3.109 20 30 DGEDHM COc1cccc2c(C(=O)OCc3ccc(C#N)c(C)c3)[n-]nc21 ZINC000808673714 626848224 /nfs/dbraw/zinc/84/82/24/626848224.db2.gz ICDRUAJUNIUMRI-UHFFFAOYSA-N -1 3 321.336 3.109 20 30 DGEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000134853174 626888634 /nfs/dbraw/zinc/88/86/34/626888634.db2.gz BTVFTJPYQSSJKJ-UHFFFAOYSA-N -1 3 300.594 3.024 20 30 DGEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000134852528 626888725 /nfs/dbraw/zinc/88/87/25/626888725.db2.gz WJCGXKRPIUEKBO-UHFFFAOYSA-N -1 3 300.594 3.024 20 30 DGEDHM C=CCC1(O)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000886766943 627202164 /nfs/dbraw/zinc/20/21/64/627202164.db2.gz VXAZKPDVLCWPAD-UHFFFAOYSA-N -1 3 323.820 3.151 20 30 DGEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccccc1 ZINC000811185546 627254528 /nfs/dbraw/zinc/25/45/28/627254528.db2.gz NWCTZZHLKCHQBY-GOSISDBHSA-N -1 3 323.348 3.328 20 30 DGEDHM CCc1ccc(C(=O)N(C)Cc2cc(C#N)cs2)c([O-])c1 ZINC000887968226 627349982 /nfs/dbraw/zinc/34/99/82/627349982.db2.gz CDPIZRBNZLOZSS-UHFFFAOYSA-N -1 3 300.383 3.160 20 30 DGEDHM COc1ccc(C=NOC2CCC2)c(Br)c1[O-] ZINC000812236941 627362873 /nfs/dbraw/zinc/36/28/73/627362873.db2.gz BCCDNCYUUMQUPJ-UHFFFAOYSA-N -1 3 300.152 3.066 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(F)ccc1Br ZINC000815070553 627622334 /nfs/dbraw/zinc/62/23/34/627622334.db2.gz YTUJFPWKLVVLFO-UHFFFAOYSA-N -1 3 322.124 3.416 20 30 DGEDHM C=CCC1(O)CCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC000924434416 627640056 /nfs/dbraw/zinc/64/00/56/627640056.db2.gz JJYUOMYLAWVUPV-UHFFFAOYSA-N -1 3 303.402 3.059 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C)C1CCC1 ZINC000817751739 627945214 /nfs/dbraw/zinc/94/52/14/627945214.db2.gz IAIONGWOXXISCJ-LLVKDONJSA-N -1 3 316.401 3.188 20 30 DGEDHM C#CCCOc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000819700735 628180224 /nfs/dbraw/zinc/18/02/24/628180224.db2.gz GNKJNQWLSHEKHI-UHFFFAOYSA-N -1 3 309.365 3.077 20 30 DGEDHM C=CC1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000819730361 628183989 /nfs/dbraw/zinc/18/39/89/628183989.db2.gz XOHKJWPKHYWQGG-UHFFFAOYSA-N -1 3 323.322 3.288 20 30 DGEDHM C=CC1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000819730361 628183992 /nfs/dbraw/zinc/18/39/92/628183992.db2.gz XOHKJWPKHYWQGG-UHFFFAOYSA-N -1 3 323.322 3.288 20 30 DGEDHM CC(C)CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000820051617 628217681 /nfs/dbraw/zinc/21/76/81/628217681.db2.gz RLHDZBFPANFGJP-UHFFFAOYSA-N -1 3 321.388 3.124 20 30 DGEDHM CC(C)CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000820051617 628217686 /nfs/dbraw/zinc/21/76/86/628217686.db2.gz RLHDZBFPANFGJP-UHFFFAOYSA-N -1 3 321.388 3.124 20 30 DGEDHM CCCCCC[C@H](C)NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000821049566 628332401 /nfs/dbraw/zinc/33/24/01/628332401.db2.gz LQLQIAKERHQLEG-ZDUSSCGKSA-N -1 3 300.410 3.149 20 30 DGEDHM CCCCCC[C@H](C)NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000821049566 628332404 /nfs/dbraw/zinc/33/24/04/628332404.db2.gz LQLQIAKERHQLEG-ZDUSSCGKSA-N -1 3 300.410 3.149 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000821476139 628373934 /nfs/dbraw/zinc/37/39/34/628373934.db2.gz JMSPGPORXGVSNP-FNORWQNLSA-N -1 3 312.304 3.057 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821476139 628373938 /nfs/dbraw/zinc/37/39/38/628373938.db2.gz JMSPGPORXGVSNP-FNORWQNLSA-N -1 3 312.304 3.057 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)O2 ZINC000822212809 628429887 /nfs/dbraw/zinc/42/98/87/628429887.db2.gz IENTWIDEALQXRL-NSIKDUERSA-N -1 3 324.365 3.161 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)O2 ZINC000822212809 628429888 /nfs/dbraw/zinc/42/98/88/628429888.db2.gz IENTWIDEALQXRL-NSIKDUERSA-N -1 3 324.365 3.161 20 30 DGEDHM Cc1ccc(C[C@@H](C#N)Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822235143 628432290 /nfs/dbraw/zinc/43/22/90/628432290.db2.gz VEQLJAFSVAREAZ-INIZCTEOSA-N -1 3 321.409 3.402 20 30 DGEDHM Cc1ccc(C[C@@H](C#N)Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822235143 628432292 /nfs/dbraw/zinc/43/22/92/628432292.db2.gz VEQLJAFSVAREAZ-INIZCTEOSA-N -1 3 321.409 3.402 20 30 DGEDHM N#Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822832763 628500093 /nfs/dbraw/zinc/50/00/93/628500093.db2.gz GAAKKFVPNYHDEX-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(NCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822832763 628500097 /nfs/dbraw/zinc/50/00/97/628500097.db2.gz GAAKKFVPNYHDEX-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)cc1 ZINC000822923847 628510141 /nfs/dbraw/zinc/51/01/41/628510141.db2.gz VZGZQKGDIBWDEX-VMPITWQZSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000822923847 628510143 /nfs/dbraw/zinc/51/01/43/628510143.db2.gz VZGZQKGDIBWDEX-VMPITWQZSA-N -1 3 312.279 3.041 20 30 DGEDHM C#CCCCCCC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823840693 628601499 /nfs/dbraw/zinc/60/14/99/628601499.db2.gz BPBIPCUNYYQNSY-CYBMUJFWSA-N -1 3 312.373 3.055 20 30 DGEDHM C#CCCCCCC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823840693 628601503 /nfs/dbraw/zinc/60/15/03/628601503.db2.gz BPBIPCUNYYQNSY-CYBMUJFWSA-N -1 3 312.373 3.055 20 30 DGEDHM C=CCCC(CC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823894274 628608070 /nfs/dbraw/zinc/60/80/70/628608070.db2.gz MDALXDFNVNTXGY-UHFFFAOYSA-N -1 3 305.773 3.059 20 30 DGEDHM C=CCCC(CC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823894274 628608072 /nfs/dbraw/zinc/60/80/72/628608072.db2.gz MDALXDFNVNTXGY-UHFFFAOYSA-N -1 3 305.773 3.059 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(C)ccc1F ZINC000823958214 628613469 /nfs/dbraw/zinc/61/34/69/628613469.db2.gz FWGGSVJZKSBQJB-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(C)C(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000824178467 628634520 /nfs/dbraw/zinc/63/45/20/628634520.db2.gz SZNMMLROVDDYMU-UHFFFAOYSA-N -1 3 304.785 3.354 20 30 DGEDHM CC(C)C(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000824178467 628634521 /nfs/dbraw/zinc/63/45/21/628634521.db2.gz SZNMMLROVDDYMU-UHFFFAOYSA-N -1 3 304.785 3.354 20 30 DGEDHM CC(C)C[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000824204452 628636579 /nfs/dbraw/zinc/63/65/79/628636579.db2.gz RIZOHTUXHDLFBY-WDEREUQCSA-N -1 3 323.418 3.125 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccccc1-c1nnn[n-]1 ZINC000824782913 628693503 /nfs/dbraw/zinc/69/35/03/628693503.db2.gz AHCWYPFZNRYFBJ-LFIBNONCSA-N -1 3 316.364 3.424 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccccc1-c1nn[n-]n1 ZINC000824782913 628693505 /nfs/dbraw/zinc/69/35/05/628693505.db2.gz AHCWYPFZNRYFBJ-LFIBNONCSA-N -1 3 316.364 3.424 20 30 DGEDHM C[C@@H](NC(=O)[O-])c1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000825401328 628758122 /nfs/dbraw/zinc/75/81/22/628758122.db2.gz CDCOTYYVBIPIPE-CYBMUJFWSA-N -1 3 309.369 3.177 20 30 DGEDHM C[C@H](NC(=O)[O-])c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000825402221 628758315 /nfs/dbraw/zinc/75/83/15/628758315.db2.gz ISRJJDSDYDACBW-NSHDSACASA-N -1 3 315.398 3.238 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826230108 628833732 /nfs/dbraw/zinc/83/37/32/628833732.db2.gz DTDXCWFMQRBXLN-FLIBITNWSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826230108 628833734 /nfs/dbraw/zinc/83/37/34/628833734.db2.gz DTDXCWFMQRBXLN-FLIBITNWSA-N -1 3 322.393 3.485 20 30 DGEDHM Cc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)o1 ZINC000826266161 628836824 /nfs/dbraw/zinc/83/68/24/628836824.db2.gz FBCBZLPEDKBVCX-UHFFFAOYSA-N -1 3 316.752 3.176 20 30 DGEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)o1 ZINC000826266161 628836826 /nfs/dbraw/zinc/83/68/26/628836826.db2.gz FBCBZLPEDKBVCX-UHFFFAOYSA-N -1 3 316.752 3.176 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826285811 628839236 /nfs/dbraw/zinc/83/92/36/628839236.db2.gz KKRXAWOCHPVQGD-TWGQIWQCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826285811 628839237 /nfs/dbraw/zinc/83/92/37/628839237.db2.gz KKRXAWOCHPVQGD-TWGQIWQCSA-N -1 3 308.316 3.210 20 30 DGEDHM N#CCC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826381330 628850724 /nfs/dbraw/zinc/85/07/24/628850724.db2.gz HTWVEDUZSKUGFN-HNNXBMFYSA-N -1 3 322.347 3.463 20 30 DGEDHM N#CCC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826381330 628850726 /nfs/dbraw/zinc/85/07/26/628850726.db2.gz HTWVEDUZSKUGFN-HNNXBMFYSA-N -1 3 322.347 3.463 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000826401906 628851164 /nfs/dbraw/zinc/85/11/64/628851164.db2.gz JEGKFHQOCVNOEF-AATRIKPKSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000826401906 628851166 /nfs/dbraw/zinc/85/11/66/628851166.db2.gz JEGKFHQOCVNOEF-AATRIKPKSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000826400673 628851241 /nfs/dbraw/zinc/85/12/41/628851241.db2.gz DWJJHVWDBSRPAU-VQHVLOKHSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000826400673 628851244 /nfs/dbraw/zinc/85/12/44/628851244.db2.gz DWJJHVWDBSRPAU-VQHVLOKHSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000826400672 628851675 /nfs/dbraw/zinc/85/16/75/628851675.db2.gz DWJJHVWDBSRPAU-CLFYSBASSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000826400672 628851679 /nfs/dbraw/zinc/85/16/79/628851679.db2.gz DWJJHVWDBSRPAU-CLFYSBASSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000826401077 628851708 /nfs/dbraw/zinc/85/17/08/628851708.db2.gz OYEJEYMAJGRGKO-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000826401077 628851712 /nfs/dbraw/zinc/85/17/12/628851712.db2.gz OYEJEYMAJGRGKO-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)CCc2ccccc21 ZINC000826476061 628853077 /nfs/dbraw/zinc/85/30/77/628853077.db2.gz ZYGFHGCSBHSTBP-KAMYIIQDSA-N -1 3 302.337 3.079 20 30 DGEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)CCc2ccccc21 ZINC000826476061 628853078 /nfs/dbraw/zinc/85/30/78/628853078.db2.gz ZYGFHGCSBHSTBP-KAMYIIQDSA-N -1 3 302.337 3.079 20 30 DGEDHM N#Cc1cccc([C@@H](NCc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000833074664 629555277 /nfs/dbraw/zinc/55/52/77/629555277.db2.gz CXAHODHVEHQKBV-OAHLLOKOSA-N -1 3 300.745 3.127 20 30 DGEDHM N#Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[O-])c3ccccc32)cc1 ZINC000833971916 629663149 /nfs/dbraw/zinc/66/31/49/629663149.db2.gz QIRVFGNSFDTMKU-DLBZAZTESA-N -1 3 307.353 3.102 20 30 DGEDHM N#Cc1cccc(CN[C@@H]2C[C@H](NC(=O)[O-])c3ccccc32)c1 ZINC000833978826 629664100 /nfs/dbraw/zinc/66/41/00/629664100.db2.gz YJVFUEIPBYBJHX-SJORKVTESA-N -1 3 307.353 3.102 20 30 DGEDHM N#Cc1cccc(CN[C@@H]2C[C@@H](NC(=O)[O-])c3ccccc32)c1 ZINC000833978824 629664634 /nfs/dbraw/zinc/66/46/34/629664634.db2.gz YJVFUEIPBYBJHX-IAGOWNOFSA-N -1 3 307.353 3.102 20 30 DGEDHM COc1c([O-])ccc(C=NN[C@H]2CCCCC2(C)C)c1[N+](=O)[O-] ZINC000834976346 629816249 /nfs/dbraw/zinc/81/62/49/629816249.db2.gz DAQQBBHCZGKIRG-ZDUSSCGKSA-N -1 3 321.377 3.201 20 30 DGEDHM C=CCC1(NC(=O)c2nnc3ccccc3c2[O-])CCCCC1 ZINC000836956954 630193045 /nfs/dbraw/zinc/19/30/45/630193045.db2.gz MSLQUWXFIYPMLX-UHFFFAOYSA-N -1 3 311.385 3.344 20 30 DGEDHM C=CCO[N-]C(=O)C12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000837048067 630206813 /nfs/dbraw/zinc/20/68/13/630206813.db2.gz MDOPZNWHVDLZMA-WHCAJBEMSA-N -1 3 303.324 3.369 20 30 DGEDHM N#CC1(CCOC(=O)c2cc(F)cc3[n-]nnc32)CCCCC1 ZINC000840548984 630337347 /nfs/dbraw/zinc/33/73/47/630337347.db2.gz UMNWBRLHOMUOLF-UHFFFAOYSA-N -1 3 316.336 3.118 20 30 DGEDHM N#CC1(CCOC(=O)c2cc(F)cc3nn[n-]c32)CCCCC1 ZINC000840548984 630337348 /nfs/dbraw/zinc/33/73/48/630337348.db2.gz UMNWBRLHOMUOLF-UHFFFAOYSA-N -1 3 316.336 3.118 20 30 DGEDHM N#CC1(CCOC(=O)c2cc(F)cc3n[n-]nc32)CCCCC1 ZINC000840548984 630337352 /nfs/dbraw/zinc/33/73/52/630337352.db2.gz UMNWBRLHOMUOLF-UHFFFAOYSA-N -1 3 316.336 3.118 20 30 DGEDHM Cc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccn12 ZINC000842941752 630596529 /nfs/dbraw/zinc/59/65/29/630596529.db2.gz JQPLNMKFBMLAQZ-GFCCVEGCSA-N -1 3 322.393 3.467 20 30 DGEDHM Cc1nc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cs1 ZINC000845842952 631198938 /nfs/dbraw/zinc/19/89/38/631198938.db2.gz WIUIJOQTVIQZEA-OAHLLOKOSA-N -1 3 324.405 3.004 20 30 DGEDHM N#CC(C(=O)C=CC1CC1)=C([O-])c1sccc1Br ZINC000845847171 631199084 /nfs/dbraw/zinc/19/90/84/631199084.db2.gz NBKAGIASBMPYSD-CDAZIORVSA-N -1 3 324.199 3.368 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(Cl)cc1Br ZINC000846544565 631258049 /nfs/dbraw/zinc/25/80/49/631258049.db2.gz HGLKIJTYYWSHNM-QMMMGPOBSA-N -1 3 318.598 3.267 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000846553549 631259854 /nfs/dbraw/zinc/25/98/54/631259854.db2.gz DFLWAYRPNNSULA-BBRMVZONSA-N -1 3 305.418 3.420 20 30 DGEDHM C#C[C@@H]1CCCN(C(=O)c2ccc(OCCCC)cc2[O-])C1 ZINC000848279130 631638330 /nfs/dbraw/zinc/63/83/30/631638330.db2.gz JMTPKBCAWRZPRD-CQSZACIVSA-N -1 3 301.386 3.057 20 30 DGEDHM Cc1cc(F)ccc1C[C@@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000849171193 631852484 /nfs/dbraw/zinc/85/24/84/631852484.db2.gz ZMFGFKXSTACEHN-XGCXUPMPSA-N -1 3 316.376 3.086 20 30 DGEDHM C#CC[C@H]1CCCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000849344100 631897122 /nfs/dbraw/zinc/89/71/22/631897122.db2.gz BPNYNUKDWCMNRW-ZDUSSCGKSA-N -1 3 321.804 3.152 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCc3ccc(F)cc32)c1[O-] ZINC000794833244 661108158 /nfs/dbraw/zinc/10/81/58/661108158.db2.gz MRCUGMXWHHDGET-JDYBYSMLSA-N -1 3 314.360 3.224 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccnn2C(C)C)c(OC)cc1[O-] ZINC000794941643 661115025 /nfs/dbraw/zinc/11/50/25/661115025.db2.gz TUCNXCCMWKTHSL-WAYWQWQTSA-N -1 3 316.357 3.083 20 30 DGEDHM CCCOc1cc(F)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255132230 655608019 /nfs/dbraw/zinc/60/80/19/655608019.db2.gz WTIHUCZHJGLGOR-UHFFFAOYSA-N -1 3 305.305 3.482 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cc(C#N)cs2)c(OC)cc1[O-] ZINC000255376075 655720764 /nfs/dbraw/zinc/72/07/64/655720764.db2.gz YZLXOOJDRAHSSZ-ARJAWSKDSA-N -1 3 315.350 3.239 20 30 DGEDHM CNC(=O)c1ccc(C)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255563512 655801798 /nfs/dbraw/zinc/80/17/98/655801798.db2.gz LDRWWMBSJWUPKR-UHFFFAOYSA-N -1 3 302.761 3.464 20 30 DGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1=NO[C@H](c2ccccc2)C1 ZINC000065633771 655816170 /nfs/dbraw/zinc/81/61/70/655816170.db2.gz HTTKBIJQTCRFHM-ZDUSSCGKSA-N -1 3 323.312 3.170 20 30 DGEDHM COc1cccc(CCCOC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811187795 661231281 /nfs/dbraw/zinc/23/12/81/661231281.db2.gz YGWDVBWSQVUHQE-UHFFFAOYSA-N -1 3 311.337 3.062 20 30 DGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccoc1 ZINC000128745893 658784208 /nfs/dbraw/zinc/78/42/08/658784208.db2.gz XSUVSLGTPFZQFM-OAHLLOKOSA-N -1 3 304.305 3.394 20 30 DGEDHM CCc1ccc([O-])c(C(=O)Nc2ccccc2O[C@@H](C)C#N)c1 ZINC000183106265 660102076 /nfs/dbraw/zinc/10/20/76/660102076.db2.gz CWKKWKWOIMKAAA-LBPRGKRZSA-N -1 3 310.353 3.498 20 30 DGEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC000071056673 660104995 /nfs/dbraw/zinc/10/49/95/660104995.db2.gz UEKOMUIWWKQKKO-AWEZNQCLSA-N -1 3 310.353 3.003 20 30 DGEDHM CN(C)C(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000042644308 661840938 /nfs/dbraw/zinc/84/09/38/661840938.db2.gz KWOZLNWFDCBRIH-YBFXNURJSA-N -1 3 316.788 3.367 20 30 DGEDHM O=C1Cc2ccccc2N1CC/N=C/c1cc(Cl)ccc1[O-] ZINC000195177665 662179643 /nfs/dbraw/zinc/17/96/43/662179643.db2.gz YNPZAXJEORGUOY-YBFXNURJSA-N -1 3 314.772 3.054 20 30 DGEDHM N#C[C@@H](CCc1ccccc1)Sc1ccccc1-c1nnn[n-]1 ZINC001581856171 1192079762 /nfs/dbraw/zinc/07/97/62/1192079762.db2.gz VTBKIGBMZQMUGZ-CQSZACIVSA-N -1 3 321.409 3.484 20 30 DGEDHM N#C[C@@H](CCc1ccccc1)Sc1ccccc1-c1nn[n-]n1 ZINC001581856171 1192079765 /nfs/dbraw/zinc/07/97/65/1192079765.db2.gz VTBKIGBMZQMUGZ-CQSZACIVSA-N -1 3 321.409 3.484 20 30 DGEDHM Cc1cc(F)cc(C(=O)[N-]c2cc(C#N)ccc2F)c1[N+](=O)[O-] ZINC001583534086 1192150093 /nfs/dbraw/zinc/15/00/93/1192150093.db2.gz BDNIRQCVHJMSFC-UHFFFAOYSA-N -1 3 317.251 3.305 20 30 DGEDHM C#C[C@H](CCC)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC001583570938 1192151050 /nfs/dbraw/zinc/15/10/50/1192151050.db2.gz ONOVDFVKVGFZKR-LLVKDONJSA-N -1 3 315.747 3.359 20 30 DGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(O)c1[O-] ZINC001583764575 1192159749 /nfs/dbraw/zinc/15/97/49/1192159749.db2.gz VQPGRYARDBPWAN-UHFFFAOYSA-N -1 3 310.353 3.020 20 30 DGEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc2ccccc12 ZINC001588381903 1192446512 /nfs/dbraw/zinc/44/65/12/1192446512.db2.gz WEYLAWFAGHJEJR-UHFFFAOYSA-N -1 3 314.352 3.466 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC001588405755 1192446846 /nfs/dbraw/zinc/44/68/46/1192446846.db2.gz PHSPZIADANSCHB-SECBINFHSA-N -1 3 305.407 3.031 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC001588405755 1192446847 /nfs/dbraw/zinc/44/68/47/1192446847.db2.gz PHSPZIADANSCHB-SECBINFHSA-N -1 3 305.407 3.031 20 30 DGEDHM C(CCC1CCCCC1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001588384454 1192446853 /nfs/dbraw/zinc/44/68/53/1192446853.db2.gz OXHQUOMLLIZSQT-UHFFFAOYSA-N -1 3 312.421 3.303 20 30 DGEDHM C(CCC1CCCCC1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001588384454 1192446855 /nfs/dbraw/zinc/44/68/55/1192446855.db2.gz OXHQUOMLLIZSQT-UHFFFAOYSA-N -1 3 312.421 3.303 20 30 DGEDHM C=C(C)CCC(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001588409146 1192446868 /nfs/dbraw/zinc/44/68/68/1192446868.db2.gz AXRINVIXOJSXKJ-UHFFFAOYSA-N -1 3 311.389 3.109 20 30 DGEDHM C=C(C)CCC(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001588409146 1192446870 /nfs/dbraw/zinc/44/68/70/1192446870.db2.gz AXRINVIXOJSXKJ-UHFFFAOYSA-N -1 3 311.389 3.109 20 30 DGEDHM C=C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC001588525774 1192448535 /nfs/dbraw/zinc/44/85/35/1192448535.db2.gz KOQAKVBJAJIMLD-INIZCTEOSA-N -1 3 320.352 3.259 20 30 DGEDHM C=C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC001588525774 1192448540 /nfs/dbraw/zinc/44/85/40/1192448540.db2.gz KOQAKVBJAJIMLD-INIZCTEOSA-N -1 3 320.352 3.259 20 30 DGEDHM C=C[C@](C)(CC)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588496131 1192448607 /nfs/dbraw/zinc/44/86/07/1192448607.db2.gz NNYHFJDYKMELFH-MEDUHNTESA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@](C)(CC)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588496131 1192448610 /nfs/dbraw/zinc/44/86/10/1192448610.db2.gz NNYHFJDYKMELFH-MEDUHNTESA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCCCCOC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588595922 1192451271 /nfs/dbraw/zinc/45/12/71/1192451271.db2.gz AFZXOPGXVURBGK-UHFFFAOYSA-N -1 3 306.753 3.033 20 30 DGEDHM C=CCCCCOC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588595922 1192451275 /nfs/dbraw/zinc/45/12/75/1192451275.db2.gz AFZXOPGXVURBGK-UHFFFAOYSA-N -1 3 306.753 3.033 20 30 DGEDHM C=CCC[C@H]1CCCN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001588582422 1192451580 /nfs/dbraw/zinc/45/15/80/1192451580.db2.gz KAKKZNXDALXLKB-NSHDSACASA-N -1 3 318.812 3.159 20 30 DGEDHM C=CCC[C@H]1CCCN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001588582422 1192451591 /nfs/dbraw/zinc/45/15/91/1192451591.db2.gz KAKKZNXDALXLKB-NSHDSACASA-N -1 3 318.812 3.159 20 30 DGEDHM C=CCCc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588620684 1192451718 /nfs/dbraw/zinc/45/17/18/1192451718.db2.gz CBFGDWFWQZVIIB-UHFFFAOYSA-N -1 3 319.368 3.238 20 30 DGEDHM C=CCCc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588620684 1192451721 /nfs/dbraw/zinc/45/17/21/1192451721.db2.gz CBFGDWFWQZVIIB-UHFFFAOYSA-N -1 3 319.368 3.238 20 30 DGEDHM CC(=NOC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001588781422 1192453524 /nfs/dbraw/zinc/45/35/24/1192453524.db2.gz BEEMPXXMVAIXDU-UHFFFAOYSA-N -1 3 303.341 3.079 20 30 DGEDHM CC(=NOC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001588781422 1192453527 /nfs/dbraw/zinc/45/35/27/1192453527.db2.gz BEEMPXXMVAIXDU-UHFFFAOYSA-N -1 3 303.341 3.079 20 30 DGEDHM CC(C)(C#N)CCCOc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589033735 1192456299 /nfs/dbraw/zinc/45/62/99/1192456299.db2.gz JNDQMONBAOPZFJ-UHFFFAOYSA-N -1 3 305.769 3.229 20 30 DGEDHM CC(C)(C#N)CCCOc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589033735 1192456301 /nfs/dbraw/zinc/45/63/01/1192456301.db2.gz JNDQMONBAOPZFJ-UHFFFAOYSA-N -1 3 305.769 3.229 20 30 DGEDHM C[C@@H]1CCC[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)[C@@H]1C ZINC001590244090 1192496816 /nfs/dbraw/zinc/49/68/16/1192496816.db2.gz RNBMBKVSHHURQM-BZPMIXESSA-N -1 3 310.405 3.223 20 30 DGEDHM C[C@@H]1CCC[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)[C@@H]1C ZINC001590244090 1192496819 /nfs/dbraw/zinc/49/68/19/1192496819.db2.gz RNBMBKVSHHURQM-BZPMIXESSA-N -1 3 310.405 3.223 20 30 DGEDHM CCCCCCCCCNC(=O)c1cscc1-c1nnn[n-]1 ZINC001590592213 1192528696 /nfs/dbraw/zinc/52/86/96/1192528696.db2.gz IDQZZIMLNFHBAD-UHFFFAOYSA-N -1 3 321.450 3.409 20 30 DGEDHM CCCCCCCCCNC(=O)c1cscc1-c1nn[n-]n1 ZINC001590592213 1192528699 /nfs/dbraw/zinc/52/86/99/1192528699.db2.gz IDQZZIMLNFHBAD-UHFFFAOYSA-N -1 3 321.450 3.409 20 30 DGEDHM CCCCCCCC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001590593095 1192530572 /nfs/dbraw/zinc/53/05/72/1192530572.db2.gz WODBTYLNVRSLDJ-UHFFFAOYSA-N -1 3 321.450 3.247 20 30 DGEDHM CCCCCCCC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001590593095 1192530576 /nfs/dbraw/zinc/53/05/76/1192530576.db2.gz WODBTYLNVRSLDJ-UHFFFAOYSA-N -1 3 321.450 3.247 20 30 DGEDHM COc1cc(C)ccc1C(C)=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001591520944 1192563876 /nfs/dbraw/zinc/56/38/76/1192563876.db2.gz GBELNTCZBDQQOL-UHFFFAOYSA-N -1 3 322.372 3.020 20 30 DGEDHM Cc1cc(F)ccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591992772 1192587912 /nfs/dbraw/zinc/58/79/12/1192587912.db2.gz WBEWVBMITQBHAO-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(F)ccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591992772 1192587915 /nfs/dbraw/zinc/58/79/15/1192587915.db2.gz WBEWVBMITQBHAO-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C)c(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1 ZINC001592139353 1192595217 /nfs/dbraw/zinc/59/52/17/1192595217.db2.gz KLKDAWYHDVKAEI-SXGWCWSVSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc(C)c(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1 ZINC001592139353 1192595221 /nfs/dbraw/zinc/59/52/21/1192595221.db2.gz KLKDAWYHDVKAEI-SXGWCWSVSA-N -1 3 316.364 3.306 20 30 DGEDHM Clc1csc(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC001592539070 1192616610 /nfs/dbraw/zinc/61/66/10/1192616610.db2.gz RBGJCWWLQAAEQK-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1csc(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC001592539070 1192616613 /nfs/dbraw/zinc/61/66/13/1192616613.db2.gz RBGJCWWLQAAEQK-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NC1CC2(CC2)C1 ZINC001592620053 1192617716 /nfs/dbraw/zinc/61/77/16/1192617716.db2.gz MANRHTTYKXHIER-UHFFFAOYSA-N -1 3 322.294 3.227 20 30 DGEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NC1CC2(CC2)C1 ZINC001592620053 1192617720 /nfs/dbraw/zinc/61/77/20/1192617720.db2.gz MANRHTTYKXHIER-UHFFFAOYSA-N -1 3 322.294 3.227 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001592699158 1192625996 /nfs/dbraw/zinc/62/59/96/1192625996.db2.gz QBWKGCPKNRMKMB-YRGRVCCFSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001592699158 1192625998 /nfs/dbraw/zinc/62/59/98/1192625998.db2.gz QBWKGCPKNRMKMB-YRGRVCCFSA-N -1 3 308.389 3.119 20 30 DGEDHM N#C[C@@H](Sc1cccc(F)c1-c1nnn[n-]1)C1CCCC1 ZINC001592668582 1192626091 /nfs/dbraw/zinc/62/60/91/1192626091.db2.gz GBTOVHDSEDJNSX-GFCCVEGCSA-N -1 3 303.366 3.180 20 30 DGEDHM N#Cc1cc(CNc2ccc(C3CC3)c(-c3nnn[n-]3)c2)cs1 ZINC001592688230 1192626612 /nfs/dbraw/zinc/62/66/12/1192626612.db2.gz JHXLWVNRTRRGGT-UHFFFAOYSA-N -1 3 322.397 3.289 20 30 DGEDHM N#Cc1cc(CNc2ccc(C3CC3)c(-c3nn[n-]n3)c2)cs1 ZINC001592688230 1192626615 /nfs/dbraw/zinc/62/66/15/1192626615.db2.gz JHXLWVNRTRRGGT-UHFFFAOYSA-N -1 3 322.397 3.289 20 30 DGEDHM O=C(C=Cc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC001592791390 1192627795 /nfs/dbraw/zinc/62/77/95/1192627795.db2.gz FASREANGEBDQDN-CSKARUKUSA-N -1 3 316.364 3.252 20 30 DGEDHM O=C(C=Cc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC001592791390 1192627796 /nfs/dbraw/zinc/62/77/96/1192627796.db2.gz FASREANGEBDQDN-CSKARUKUSA-N -1 3 316.364 3.252 20 30 DGEDHM C=CCC1(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)CCCCC1 ZINC001595602381 1192664529 /nfs/dbraw/zinc/66/45/29/1192664529.db2.gz HZTZOZDJJGCLME-UHFFFAOYSA-N -1 3 315.417 3.202 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CN1CCc2cc(C(=O)[O-])ccc2C1 ZINC001600074704 1192787449 /nfs/dbraw/zinc/78/74/49/1192787449.db2.gz PPUBQNSMAJBULR-UHFFFAOYSA-N -1 3 320.392 3.432 20 30 DGEDHM Cc1cc(F)ccc1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001600233921 1192816280 /nfs/dbraw/zinc/81/62/80/1192816280.db2.gz OLLYVQLSGCAYOP-PXAZEXFGSA-N -1 3 312.344 3.482 20 30 DGEDHM N#CC1(C(=O)[O-])CCN(Cc2cc3ccccc3s2)CC1 ZINC001601052767 1192914157 /nfs/dbraw/zinc/91/41/57/1192914157.db2.gz WIXLHSMUCKPCJP-UHFFFAOYSA-N -1 3 300.383 3.092 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccsc1C(F)(F)F ZINC001344322024 1179412674 /nfs/dbraw/zinc/41/26/74/1179412674.db2.gz GJZDGQJGEBUTOU-VIFPVBQESA-N -1 3 313.304 3.473 20 30 DGEDHM C=C(C)CCSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC001602758902 1192997053 /nfs/dbraw/zinc/99/70/53/1192997053.db2.gz UIRAPEMLZLRSLX-UHFFFAOYSA-N -1 3 301.419 3.117 20 30 DGEDHM C=C(C)CCSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC001602758902 1192997055 /nfs/dbraw/zinc/99/70/55/1192997055.db2.gz UIRAPEMLZLRSLX-UHFFFAOYSA-N -1 3 301.419 3.117 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001602816918 1192998802 /nfs/dbraw/zinc/99/88/02/1192998802.db2.gz WUWMJMLORCWVOY-UHFFFAOYSA-N -1 3 315.352 3.021 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001602816918 1192998805 /nfs/dbraw/zinc/99/88/05/1192998805.db2.gz WUWMJMLORCWVOY-UHFFFAOYSA-N -1 3 315.352 3.021 20 30 DGEDHM C=CCSCc1ccc(Br)cc1-c1nnn[n-]1 ZINC001602870484 1193001199 /nfs/dbraw/zinc/00/11/99/1193001199.db2.gz NQWICOFOPJHZMW-UHFFFAOYSA-N -1 3 311.208 3.048 20 30 DGEDHM C=CCSCc1ccc(Br)cc1-c1nn[n-]n1 ZINC001602870484 1193001200 /nfs/dbraw/zinc/00/12/00/1193001200.db2.gz NQWICOFOPJHZMW-UHFFFAOYSA-N -1 3 311.208 3.048 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC001603826778 1193033210 /nfs/dbraw/zinc/03/32/10/1193033210.db2.gz MMFAEPBBWLQZFT-LMRAXHDRSA-N -1 3 308.366 3.312 20 30 DGEDHM C[C@H]1C[C@@H]1c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001603869868 1193036419 /nfs/dbraw/zinc/03/64/19/1193036419.db2.gz AMLFCJJAFDHZJN-HZMBPMFUSA-N -1 3 308.345 3.029 20 30 DGEDHM C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cncc(C(=O)[O-])c1 ZINC001604329559 1193065517 /nfs/dbraw/zinc/06/55/17/1193065517.db2.gz SMOCGMHCDPJVDY-XIKOKIGWSA-N -1 3 321.380 3.380 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001604457150 1193073518 /nfs/dbraw/zinc/07/35/18/1193073518.db2.gz HFFIEQHFSQLWMR-FMIVXFBMSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001604457150 1193073521 /nfs/dbraw/zinc/07/35/21/1193073521.db2.gz HFFIEQHFSQLWMR-FMIVXFBMSA-N -1 3 320.352 3.162 20 30 DGEDHM CCc1cc(Nc2c(C#N)cccc2-c2nnn[n-]2)ccc1F ZINC001604517968 1193077399 /nfs/dbraw/zinc/07/73/99/1193077399.db2.gz VVMJLQLANISSFJ-UHFFFAOYSA-N -1 3 308.320 3.183 20 30 DGEDHM CCc1cc(Nc2c(C#N)cccc2-c2nn[n-]n2)ccc1F ZINC001604517968 1193077403 /nfs/dbraw/zinc/07/74/03/1193077403.db2.gz VVMJLQLANISSFJ-UHFFFAOYSA-N -1 3 308.320 3.183 20 30 DGEDHM Cc1noc(-c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cc2)n1 ZINC001357580388 1181410279 /nfs/dbraw/zinc/41/02/79/1181410279.db2.gz NUWMNZHLNXGYQU-ZDUSSCGKSA-N -1 3 322.299 3.069 20 30 DGEDHM COc1cc(Cl)ccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001357581242 1181410661 /nfs/dbraw/zinc/41/06/61/1181410661.db2.gz YHLVDDKAPTVDRJ-LLVKDONJSA-N -1 3 304.708 3.373 20 30 DGEDHM N#C[C@@H]1CC[C@@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C1 ZINC001358087022 1181454894 /nfs/dbraw/zinc/45/48/94/1181454894.db2.gz FHEXYRMOMGBZJY-RKDXNWHRSA-N -1 3 305.284 3.350 20 30 DGEDHM CSc1ccc([O-])c(C(=O)NCc2ccc(C#N)c(F)c2)c1 ZINC001451454942 1182270055 /nfs/dbraw/zinc/27/00/55/1182270055.db2.gz HHAFIERNSLTSNS-UHFFFAOYSA-N -1 3 316.357 3.055 20 30 DGEDHM O=C(c1ccc2[nH]cnc2c1F)N([O-])Cc1ccccc1Cl ZINC001457995435 1182489238 /nfs/dbraw/zinc/48/92/38/1182489238.db2.gz UECWVALJUSQELL-UHFFFAOYSA-N -1 3 319.723 3.387 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001458024687 1182489900 /nfs/dbraw/zinc/48/99/00/1182489900.db2.gz QRKFMNKHZXGGKI-QWHCGFSZSA-N -1 3 314.426 3.040 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605932396 1193185109 /nfs/dbraw/zinc/18/51/09/1193185109.db2.gz ULDVWSKPVMLLQF-CSKARUKUSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605932396 1193185112 /nfs/dbraw/zinc/18/51/12/1193185112.db2.gz ULDVWSKPVMLLQF-CSKARUKUSA-N -1 3 304.353 3.380 20 30 DGEDHM CN(Cc1cc(F)cc(F)c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001606147146 1193191417 /nfs/dbraw/zinc/19/14/17/1193191417.db2.gz NEFYKPZRDNZBCO-INIZCTEOSA-N -1 3 316.307 3.094 20 30 DGEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc21 ZINC001472163389 1183622439 /nfs/dbraw/zinc/62/24/39/1183622439.db2.gz PAQBXQSSSPPSEF-UHFFFAOYSA-N -1 3 323.352 3.194 20 30 DGEDHM COc1cc(C(=O)N([O-])CCCCc2ccccc2)sn1 ZINC001472619440 1183656866 /nfs/dbraw/zinc/65/68/66/1183656866.db2.gz LXTGRPDHFHXUIH-UHFFFAOYSA-N -1 3 306.387 3.006 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1ccc(C(=O)OC)cc1 ZINC001472621429 1183658004 /nfs/dbraw/zinc/65/80/04/1183658004.db2.gz UNHNGVNLHDKUED-UHFFFAOYSA-N -1 3 307.390 3.204 20 30 DGEDHM C=CC(C)(C)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001475769214 1184016997 /nfs/dbraw/zinc/01/69/97/1184016997.db2.gz BYHMNVHLBMVXNE-UHFFFAOYSA-N -1 3 324.265 3.062 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](C(=O)[O-])c1ccsc1 ZINC001608214300 1193284078 /nfs/dbraw/zinc/28/40/78/1193284078.db2.gz LMOOQCFTRRPQIY-HOTGVXAUSA-N -1 3 312.394 3.413 20 30 DGEDHM C=CC[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001609053047 1193322128 /nfs/dbraw/zinc/32/21/28/1193322128.db2.gz ZZKOMLVGJWTRMN-INIZCTEOSA-N -1 3 320.352 3.132 20 30 DGEDHM C=CC[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001609053047 1193322136 /nfs/dbraw/zinc/32/21/36/1193322136.db2.gz ZZKOMLVGJWTRMN-INIZCTEOSA-N -1 3 320.352 3.132 20 30 DGEDHM CC(=NNc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609061316 1193322628 /nfs/dbraw/zinc/32/26/28/1193322628.db2.gz WFEQHGUIHABZKV-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(=NNc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609061316 1193322629 /nfs/dbraw/zinc/32/26/29/1193322629.db2.gz WFEQHGUIHABZKV-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001609421226 1193337655 /nfs/dbraw/zinc/33/76/55/1193337655.db2.gz UWVCZEHXSHIJMA-CMDGGOBGSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001609421226 1193337656 /nfs/dbraw/zinc/33/76/56/1193337656.db2.gz UWVCZEHXSHIJMA-CMDGGOBGSA-N -1 3 304.353 3.380 20 30 DGEDHM N#CCCC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001609495276 1193342515 /nfs/dbraw/zinc/34/25/15/1193342515.db2.gz ZSQGHWDDZUOKSA-OAHLLOKOSA-N -1 3 319.372 3.109 20 30 DGEDHM N#CCCC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001609495276 1193342518 /nfs/dbraw/zinc/34/25/18/1193342518.db2.gz ZSQGHWDDZUOKSA-OAHLLOKOSA-N -1 3 319.372 3.109 20 30 DGEDHM C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774362 1193355038 /nfs/dbraw/zinc/35/50/38/1193355038.db2.gz AZHNYBMRGYZKEO-PIGZYNQJSA-N -1 3 322.364 3.300 20 30 DGEDHM C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001609774359 1193355139 /nfs/dbraw/zinc/35/51/39/1193355139.db2.gz AZHNYBMRGYZKEO-APPDUMDISA-N -1 3 322.364 3.300 20 30 DGEDHM Cc1ccc(C(=O)/C=C/C(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC001611403949 1193432893 /nfs/dbraw/zinc/43/28/93/1193432893.db2.gz YNRKBDNCMDWISE-ZHACJKMWSA-N -1 3 313.328 3.121 20 30 DGEDHM CCCCN([O-])C(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC001611657867 1193439151 /nfs/dbraw/zinc/43/91/51/1193439151.db2.gz KQFABIBXLDAXNI-QWHCGFSZSA-N -1 3 314.426 3.088 20 30 DGEDHM CCCCCCN([O-])C(=O)c1csc(Br)n1 ZINC001611655594 1193439356 /nfs/dbraw/zinc/43/93/56/1193439356.db2.gz JZHGGZLTZGBQPD-UHFFFAOYSA-N -1 3 307.213 3.317 20 30 DGEDHM Cn1cc(C(=O)N([O-])Cc2ccccc2Cl)c(C(F)F)n1 ZINC001611650898 1193439530 /nfs/dbraw/zinc/43/95/30/1193439530.db2.gz PLYZXKSHYDKHJT-UHFFFAOYSA-N -1 3 315.707 3.043 20 30 DGEDHM O=C(c1cnc2n1CCC2)N([O-])Cc1cccc2ccccc21 ZINC001611662853 1193439933 /nfs/dbraw/zinc/43/99/33/1193439933.db2.gz YZNFQXDSVPWAHM-UHFFFAOYSA-N -1 3 307.353 3.014 20 30 DGEDHM O=C(c1ccc2scnc2c1)N([O-])Cc1ccc(F)cc1 ZINC001611666780 1193439970 /nfs/dbraw/zinc/43/99/70/1193439970.db2.gz AQFNEIHMHJSOCP-UHFFFAOYSA-N -1 3 302.330 3.467 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C(F)=C1CCCC1 ZINC001515158348 1186746377 /nfs/dbraw/zinc/74/63/77/1186746377.db2.gz KOYNTRVABIXRKX-LBPRGKRZSA-N -1 3 316.332 3.140 20 30 DGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)C(C)C ZINC001521049930 1186992740 /nfs/dbraw/zinc/99/27/40/1186992740.db2.gz FREKHVRRAXKZHE-GFCCVEGCSA-N -1 3 315.747 3.214 20 30 DGEDHM Cc1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N ZINC001538166758 1188122389 /nfs/dbraw/zinc/12/23/89/1188122389.db2.gz ULURMBIAXNKNFU-UHFFFAOYSA-N -1 3 322.733 3.137 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1 ZINC001540655245 1188251884 /nfs/dbraw/zinc/25/18/84/1188251884.db2.gz FRXSIMFMDGFHCD-CQSZACIVSA-N -1 3 316.357 3.248 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001559035461 1188443054 /nfs/dbraw/zinc/44/30/54/1188443054.db2.gz REJSXIOJSJGIBZ-GFCCVEGCSA-N -1 3 302.415 3.088 20 30 DGEDHM CCC(C)(C)C1CCC(CC(=O)N[C@H]2CCCN([O-])C2=O)CC1 ZINC001556782758 1189019728 /nfs/dbraw/zinc/01/97/28/1189019728.db2.gz RPRQBVNUJVDCLZ-NRXISQOPSA-N -1 3 324.465 3.116 20 30 DGEDHM O=C(c1cc(F)cc([N+](=O)[O-])c1)N([O-])Cc1ccccc1Cl ZINC001559033357 1189164084 /nfs/dbraw/zinc/16/40/84/1189164084.db2.gz GCXQJFRZMOUFGV-UHFFFAOYSA-N -1 3 324.695 3.419 20 30 DGEDHM CN(C)c1cccc(CCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001559037192 1189164682 /nfs/dbraw/zinc/16/46/82/1189164682.db2.gz NCQSVMADDJFGRN-UHFFFAOYSA-N -1 3 316.376 3.242 20 30 DGEDHM CCCCN([O-])C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001559035074 1189164795 /nfs/dbraw/zinc/16/47/95/1189164795.db2.gz AUGVDFQIFHZOJU-UHFFFAOYSA-N -1 3 314.341 3.362 20 30 DGEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001561528652 1189447493 /nfs/dbraw/zinc/44/74/93/1189447493.db2.gz OFNQJTSZLYSNDI-JTQLQIEISA-N -1 3 320.241 3.382 20 30 DGEDHM Cc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)c([O-])c1 ZINC001631227909 1194325295 /nfs/dbraw/zinc/32/52/95/1194325295.db2.gz FVIFEVVZSHIZMC-UHFFFAOYSA-N -1 3 306.365 3.382 20 30 DGEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1ccccc1Br ZINC001634023466 1194470569 /nfs/dbraw/zinc/47/05/69/1194470569.db2.gz CZMCGIIYCRRBDZ-UHFFFAOYSA-N -1 3 324.552 3.410 20 30 DGEDHM O=C([C@H]1COc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001639054188 1194748452 /nfs/dbraw/zinc/74/84/52/1194748452.db2.gz AKAHMLCGEVCGPI-ZDUSSCGKSA-N -1 3 303.745 3.234 20 30 DGEDHM O=C(Cc1c[nH]c2ncccc12)N([O-])CCCCc1ccccc1 ZINC001639058999 1194748760 /nfs/dbraw/zinc/74/87/60/1194748760.db2.gz ZDTIDQMKWHYMPV-UHFFFAOYSA-N -1 3 323.396 3.346 20 30 DGEDHM O=C([C@@H]1C[C@@]1(F)c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001639078494 1194749786 /nfs/dbraw/zinc/74/97/86/1194749786.db2.gz KLIAAPCIGIRPMR-DOTOQJQBSA-N -1 3 303.308 3.428 20 30 DGEDHM C#C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001639997985 1194790909 /nfs/dbraw/zinc/79/09/09/1194790909.db2.gz JKYDODDWHNHYBW-NSHDSACASA-N -1 3 303.705 3.135 20 30 DGEDHM O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc([O-])cc1Cl ZINC001640354273 1194808239 /nfs/dbraw/zinc/80/82/39/1194808239.db2.gz UJLVFAXFONGASY-FPYGCLRLSA-N -1 3 319.719 3.406 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001640635562 1194822868 /nfs/dbraw/zinc/82/28/68/1194822868.db2.gz UNGKLHFNZZTSLM-OAHLLOKOSA-N -1 3 311.381 3.430 20 30 DGEDHM Cc1cccc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)c1[O-] ZINC001640758520 1194826830 /nfs/dbraw/zinc/82/68/30/1194826830.db2.gz VKUNTDDDINIKBS-UHFFFAOYSA-N -1 3 306.325 3.009 20 30 DGEDHM O=C(c1ccc2c(c1)OCO2)N([O-])Cc1ccccc1Cl ZINC001641858197 1194875267 /nfs/dbraw/zinc/87/52/67/1194875267.db2.gz SKGRNZXWOCWIJA-UHFFFAOYSA-N -1 3 305.717 3.100 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](CC)NC(=O)OC(C)(C)C ZINC001641868144 1194876037 /nfs/dbraw/zinc/87/60/37/1194876037.db2.gz YGYGTRZGXKXJBT-LBPRGKRZSA-N -1 3 302.415 3.088 20 30 DGEDHM CCCCCCN([O-])C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001641867871 1194875914 /nfs/dbraw/zinc/87/59/14/1194875914.db2.gz QMVLAXQHOQKYFJ-UHFFFAOYSA-N -1 3 322.361 3.356 20 30 DGEDHM O=C([C@@H]1Cc2cccnc2C1)N([O-])CCCCc1ccccc1 ZINC001651228227 1195429154 /nfs/dbraw/zinc/42/91/54/1195429154.db2.gz ZLCYHHOJSPNWNC-QGZVFWFLSA-N -1 3 310.397 3.037 20 30 DGEDHM CCCCCCN([O-])C(=O)CC1CCN(CC(F)(F)F)CC1 ZINC001651229802 1195429750 /nfs/dbraw/zinc/42/97/50/1195429750.db2.gz XLNQTAHAAPMHIV-UHFFFAOYSA-N -1 3 324.387 3.449 20 30 DGEDHM Cc1nc(Cl)ccc1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC001651237978 1195430449 /nfs/dbraw/zinc/43/04/49/1195430449.db2.gz IRHVUMBOOSLJBD-UHFFFAOYSA-N -1 3 308.740 3.143 20 30 DGEDHM C=CCn1cc2ccc(NC(=O)c3cccc(OC)c3[O-])cc2n1 ZINC001652527574 1195613649 /nfs/dbraw/zinc/61/36/49/1195613649.db2.gz CDRSDNCGILRJTC-UHFFFAOYSA-N -1 3 323.352 3.189 20 30 DGEDHM C=CCn1ncc2ccc(NC(=O)c3cc(OC)ccc3[O-])cc21 ZINC001652964844 1195675563 /nfs/dbraw/zinc/67/55/63/1195675563.db2.gz TZXDHMWIXGZMMT-UHFFFAOYSA-N -1 3 323.352 3.189 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1ccn(-c2ccccc2)n1 ZINC001654819950 1195844096 /nfs/dbraw/zinc/84/40/96/1195844096.db2.gz XXVYWCRPGPZHIC-UHFFFAOYSA-N -1 3 301.390 3.213 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cc2cc(F)ccc2[nH]c1=O ZINC001654819595 1195844589 /nfs/dbraw/zinc/84/45/89/1195844589.db2.gz JGJKIVYQXOTNIB-UHFFFAOYSA-N -1 3 306.337 3.079 20 30 DGEDHM N#CCOc1cc(F)ccc1NCc1cc(F)c(F)cc1[O-] ZINC001659389012 1196379023 /nfs/dbraw/zinc/37/90/23/1196379023.db2.gz GXVXGCALTRRPCL-UHFFFAOYSA-N -1 3 308.259 3.324 20 30 DGEDHM C=CCC1([N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCCC1 ZINC001665059884 1197092756 /nfs/dbraw/zinc/09/27/56/1197092756.db2.gz RRQFNFYYUTYPTL-UHFFFAOYSA-N -1 3 315.385 3.440 20 30 DGEDHM N#CC(C(=O)c1ccc(C(=O)[O-])cc1)c1nc(C2CC2)cs1 ZINC001601047103 970921938 /nfs/dbraw/zinc/92/19/38/970921938.db2.gz IYJFVPXDVYFCJW-LBPRGKRZSA-N -1 3 312.350 3.209 20 30 DGEDHM C#Cc1cccc(NCc2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001573290131 946897953 /nfs/dbraw/zinc/89/79/53/946897953.db2.gz FRXCGJAHBGSEHD-UHFFFAOYSA-N -1 3 303.369 3.077 20 30 DGEDHM C#Cc1cccc(NCc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001573290131 946897962 /nfs/dbraw/zinc/89/79/62/946897962.db2.gz FRXCGJAHBGSEHD-UHFFFAOYSA-N -1 3 303.369 3.077 20 30 DGEDHM C=C[C@@H](CC)CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573315012 947242515 /nfs/dbraw/zinc/24/25/15/947242515.db2.gz JEISCBIJDBOPJC-NEPJUHHUSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@@H](CC)CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573315012 947242520 /nfs/dbraw/zinc/24/25/20/947242520.db2.gz JEISCBIJDBOPJC-NEPJUHHUSA-N -1 3 300.362 3.073 20 30 DGEDHM C#CCOc1cccc(Cl)c1CN1CCC[C@H](CC(=O)[O-])C1 ZINC001573327093 958484267 /nfs/dbraw/zinc/48/42/67/958484267.db2.gz CUYIFWLPJNXMTR-CYBMUJFWSA-N -1 3 321.804 3.039 20 30 DGEDHM CC(C)(C)[C@@H](C(=O)[O-])C(=O)C(C#N)c1nc2ccccc2s1 ZINC001588630817 959605677 /nfs/dbraw/zinc/60/56/77/959605677.db2.gz HWHPVJYLQUCBSZ-BXKDBHETSA-N -1 3 316.382 3.219 20 30 DGEDHM N#Cc1cc(Cl)cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001605591882 973889238 /nfs/dbraw/zinc/88/92/38/973889238.db2.gz GBKTUKXNKJXEMF-HNNXBMFYSA-N -1 3 318.735 3.266 20 30 DGEDHM C=C(C)C[C@@H](NCc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC001588554158 983629778 /nfs/dbraw/zinc/62/97/78/983629778.db2.gz YZVQBDDBJXLWHG-LLVKDONJSA-N -1 3 306.387 3.221 20 30 DGEDHM C=CCCCCCN1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001588799798 984241836 /nfs/dbraw/zinc/24/18/36/984241836.db2.gz IUYJWXZBIDIWNV-UHFFFAOYSA-N -1 3 308.447 3.315 20 30 DGEDHM CSc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1C#N ZINC001599812808 988367449 /nfs/dbraw/zinc/36/74/49/988367449.db2.gz HBMWAROXUPGXOA-CQSZACIVSA-N -1 3 318.423 3.257 20 30 DGEDHM CC(C)CN(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001591342777 992321793 /nfs/dbraw/zinc/32/17/93/992321793.db2.gz KPPFVMIWEKCRNA-UHFFFAOYSA-N -1 3 323.396 3.310 20 30 DGEDHM CC(C)(C)c1nc2c(o1)c(C#N)cnc2NCc1ncccc1[O-] ZINC001169734026 1081645761 /nfs/dbraw/zinc/64/57/61/1081645761.db2.gz TYXGTVRGZMIZEV-UHFFFAOYSA-N -1 3 323.356 3.105 20 30 DGEDHM N#Cc1ccc([O-])c(Nc2cc(Br)cnc2F)c1 ZINC001211272031 1082103417 /nfs/dbraw/zinc/10/34/17/1082103417.db2.gz SWEMVXFXXYWIQW-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM COC(=O)[C@H](CCc1ccccc1)Nc1cccc(/C=N/[O-])c1 ZINC001170173361 1082301925 /nfs/dbraw/zinc/30/19/25/1082301925.db2.gz RXPVARKPGHBDDA-AMRJIULGSA-N -1 3 312.369 3.081 20 30 DGEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])OCc1ccccc1 ZINC000005288659 1082409043 /nfs/dbraw/zinc/40/90/43/1082409043.db2.gz SCLJYWHSJVBRHA-GIJQJNRQSA-N -1 3 303.745 3.208 20 30 DGEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCCCCC)c1 ZINC001167581252 1082552837 /nfs/dbraw/zinc/55/28/37/1082552837.db2.gz ZUCQVPYKKXQYAJ-UHFFFAOYSA-N -1 3 304.390 3.217 20 30 DGEDHM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001181778481 1083537558 /nfs/dbraw/zinc/53/75/58/1083537558.db2.gz QGGLMUXSRQYTIE-JTQLQIEISA-N -1 3 316.744 3.323 20 30 DGEDHM C#CCCCCCCCCC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC001182185655 1083641300 /nfs/dbraw/zinc/64/13/00/1083641300.db2.gz MFGAKAUVQJDZSA-UHFFFAOYSA-N -1 3 319.405 3.279 20 30 DGEDHM C#CCCCCCCCCC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC001182185655 1083641303 /nfs/dbraw/zinc/64/13/03/1083641303.db2.gz MFGAKAUVQJDZSA-UHFFFAOYSA-N -1 3 319.405 3.279 20 30 DGEDHM N#Cc1cc(NC(=O)COc2ccc(Cl)cc2F)ccc1[O-] ZINC001182492313 1083743667 /nfs/dbraw/zinc/74/36/67/1083743667.db2.gz FHFUQQZPLHXJJU-UHFFFAOYSA-N -1 3 320.707 3.074 20 30 DGEDHM Cc1cnn(C)c1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184236215 1084134001 /nfs/dbraw/zinc/13/40/01/1084134001.db2.gz VFYQWDCPORUEEP-UHFFFAOYSA-N -1 3 314.172 3.067 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cnn(-c2ccccc2)c1OC ZINC001184305869 1084143365 /nfs/dbraw/zinc/14/33/65/1084143365.db2.gz VBPIWHFADRWZGM-UHFFFAOYSA-N -1 3 317.389 3.293 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1ccccc1N1CCCC1=O ZINC001184314824 1084147628 /nfs/dbraw/zinc/14/76/28/1084147628.db2.gz MEHYXVVUJHVXOD-UHFFFAOYSA-N -1 3 318.417 3.154 20 30 DGEDHM CN(C)[C@@H](C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001184284109 1084151810 /nfs/dbraw/zinc/15/18/10/1084151810.db2.gz YWVFJCAETZXCKO-MRXNPFEDSA-N -1 3 318.804 3.361 20 30 DGEDHM CCc1nn(C)cc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184340012 1084163071 /nfs/dbraw/zinc/16/30/71/1084163071.db2.gz JBCCZFXTQOJMET-UHFFFAOYSA-N -1 3 309.369 3.167 20 30 DGEDHM Cc1noc(C)c1NC(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001185143133 1084351006 /nfs/dbraw/zinc/35/10/06/1084351006.db2.gz SQUOKZVSPVTDJC-UHFFFAOYSA-N -1 3 303.322 3.093 20 30 DGEDHM C[C@H]1C[C@@H]1c1ncc(C(=O)[N-]c2c(C#N)oc3ccccc32)cn1 ZINC001185113404 1084355183 /nfs/dbraw/zinc/35/51/83/1084355183.db2.gz AECARRBOFQALFJ-GWCFXTLKSA-N -1 3 318.336 3.470 20 30 DGEDHM Cc1ccc2[n-]cc(C(=O)Nc3cc(F)cc(C#N)c3)c(=O)c2c1 ZINC001648972308 1086750736 /nfs/dbraw/zinc/75/07/36/1086750736.db2.gz LAPXAZLXIWEJCC-UHFFFAOYSA-N -1 3 321.311 3.100 20 30 DGEDHM CC1(C)CCCc2cc(C#N)c(NCc3ncccc3[O-])nc21 ZINC001158775690 1088026385 /nfs/dbraw/zinc/02/63/85/1088026385.db2.gz JFUKGTUHRRRFGU-UHFFFAOYSA-N -1 3 308.385 3.280 20 30 DGEDHM CCOC(=O)[C@H](C#N)[N-]c1c(Cl)ccc2ccc(Cl)nc21 ZINC001159326970 1088297195 /nfs/dbraw/zinc/29/71/95/1088297195.db2.gz SXVYMGJNLUYMQJ-JTQLQIEISA-N -1 3 324.167 3.409 20 30 DGEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1n[nH]c2cccc(F)c21 ZINC001155283232 1089045103 /nfs/dbraw/zinc/04/51/03/1089045103.db2.gz JBWUEBYXMQOEQN-UHFFFAOYSA-N -1 3 316.242 3.104 20 30 DGEDHM N#Cc1cnoc1[N-]c1ccc(C(=O)N2CCCCC2)cc1F ZINC001212998439 1089169078 /nfs/dbraw/zinc/16/90/78/1089169078.db2.gz CCSKTOYKUCYOJJ-UHFFFAOYSA-N -1 3 314.320 3.055 20 30 DGEDHM CC1=C(C(=O)N([O-])CCCCc2ccccc2)SCCO1 ZINC001161819459 1089421852 /nfs/dbraw/zinc/42/18/52/1089421852.db2.gz UOSDRZXYPRWLRE-UHFFFAOYSA-N -1 3 307.415 3.222 20 30 DGEDHM CCOC(=O)[C@@H](C(=O)N([O-])CCCCc1ccccc1)C(C)C ZINC001161819442 1089421992 /nfs/dbraw/zinc/42/19/92/1089421992.db2.gz UCXBWCYGIWTRQI-MRXNPFEDSA-N -1 3 321.417 3.062 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cccc(OCC(F)F)n1 ZINC001161827249 1089426447 /nfs/dbraw/zinc/42/64/47/1089426447.db2.gz ZJEFZQFIWUCMFE-UHFFFAOYSA-N -1 3 302.321 3.137 20 30 DGEDHM CCCCCCN([O-])C(=O)CN(C)C(=O)OCc1ccccc1 ZINC001161826465 1089426856 /nfs/dbraw/zinc/42/68/56/1089426856.db2.gz ATMLDMSFIHXALZ-UHFFFAOYSA-N -1 3 322.405 3.053 20 30 DGEDHM O=C(c1cc(Br)co1)N([O-])Cc1ccc(F)cc1 ZINC001161843034 1089437450 /nfs/dbraw/zinc/43/74/50/1089437450.db2.gz XXUAAQKABRIRGR-UHFFFAOYSA-N -1 3 314.110 3.213 20 30 DGEDHM O=C(Cc1nsc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC001161848794 1089441485 /nfs/dbraw/zinc/44/14/85/1089441485.db2.gz KIWGREYBFJVYGS-UHFFFAOYSA-N -1 3 316.357 3.396 20 30 DGEDHM C=CCn1cc2ccc(NC(=O)c3c(C)cccc3[O-])cc2n1 ZINC001156690550 1089647664 /nfs/dbraw/zinc/64/76/64/1089647664.db2.gz OZCBBZICZYVSCG-UHFFFAOYSA-N -1 3 307.353 3.489 20 30 DGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnn2cccc(F)c12 ZINC001156909388 1089739826 /nfs/dbraw/zinc/73/98/26/1089739826.db2.gz IPTYVSUBJACQMP-UHFFFAOYSA-N -1 3 320.283 3.344 20 30 DGEDHM O=C(CCC(=O)N([O-])Cc1ccc(F)cc1)c1cccs1 ZINC001649070324 1090588645 /nfs/dbraw/zinc/58/86/45/1090588645.db2.gz WQPAGPXKWMMZKT-UHFFFAOYSA-N -1 3 307.346 3.268 20 30 DGEDHM CN1CCc2c(C#N)c(Nc3cc(F)cc(F)c3[O-])sc2C1 ZINC001212478128 1090937003 /nfs/dbraw/zinc/93/70/03/1090937003.db2.gz WSDROQWGGQBJHQ-UHFFFAOYSA-N -1 3 321.352 3.335 20 30 DGEDHM N#Cc1cnn(-c2ccccc2)c1Nc1cc(F)cc(F)c1[O-] ZINC001212479618 1090937903 /nfs/dbraw/zinc/93/79/03/1090937903.db2.gz IJYDUBCJNBPYFO-UHFFFAOYSA-N -1 3 312.279 3.471 20 30 DGEDHM COC(=O)c1cc(Nc2cc(F)cc(F)c2[O-])ccc1C#N ZINC001212491029 1090946994 /nfs/dbraw/zinc/94/69/94/1090946994.db2.gz FIRBCZODJMSWDY-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM Cc1nc(Br)ccc1Nc1cc(C#N)ccc1[O-] ZINC001212564794 1091166783 /nfs/dbraw/zinc/16/67/83/1091166783.db2.gz AMKZHJKSDQLTHN-UHFFFAOYSA-N -1 3 304.147 3.473 20 30 DGEDHM C[C@](C#N)(Nc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC001169387935 1092671736 /nfs/dbraw/zinc/67/17/36/1092671736.db2.gz AXNGTMNYLJCPHF-MRXNPFEDSA-N -1 3 324.775 3.371 20 30 DGEDHM C[C@](C#N)(Nc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC001169387935 1092671739 /nfs/dbraw/zinc/67/17/39/1092671739.db2.gz AXNGTMNYLJCPHF-MRXNPFEDSA-N -1 3 324.775 3.371 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(F)cc1C#N ZINC001210555620 1093208006 /nfs/dbraw/zinc/20/80/06/1093208006.db2.gz FOQOIQYAQUAUTK-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM N#Cc1cnn(-c2ccccc2)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213373613 1093574544 /nfs/dbraw/zinc/57/45/44/1093574544.db2.gz ONDQJPZPHNAXPE-UHFFFAOYSA-N -1 3 312.279 3.471 20 30 DGEDHM N#Cc1cnccc1Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001214018490 1093696395 /nfs/dbraw/zinc/69/63/95/1093696395.db2.gz XEEGLAVKUZLCBL-UHFFFAOYSA-N -1 3 313.666 3.497 20 30 DGEDHM CC(C)(C)c1noc([N-]c2ccc(CO)c(F)c2F)c1C#N ZINC001215028845 1093904165 /nfs/dbraw/zinc/90/41/65/1093904165.db2.gz UIEPPBZSPHBIKQ-UHFFFAOYSA-N -1 3 307.300 3.358 20 30 DGEDHM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cccc(C#N)c1F ZINC001216414035 1094194187 /nfs/dbraw/zinc/19/41/87/1094194187.db2.gz CJGOIIOQFCAKDQ-UHFFFAOYSA-N -1 3 315.304 3.483 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1cccc(C#N)c1F ZINC001216416970 1094194620 /nfs/dbraw/zinc/19/46/20/1094194620.db2.gz HFXCQDNSLGQJTN-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM COc1cc([O-])ccc1-c1nc(-c2cc(C#N)ccc2F)no1 ZINC001217084428 1094301640 /nfs/dbraw/zinc/30/16/40/1094301640.db2.gz FDESVIPWOTWGTK-UHFFFAOYSA-N -1 3 311.272 3.129 20 30 DGEDHM CC(C)n1ncc2cc(C([O-])=C(C#N)c3cccc(F)n3)cnc21 ZINC001122713676 1095041692 /nfs/dbraw/zinc/04/16/92/1095041692.db2.gz CNXZMESBRLUAIY-ZDUSSCGKSA-N -1 3 323.331 3.036 20 30 DGEDHM [O-]c1cc(F)c(Br)cc1CN1CCC(S)CC1 ZINC001144306774 1095599932 /nfs/dbraw/zinc/59/99/32/1095599932.db2.gz POZAUFZIXHRLFB-UHFFFAOYSA-N -1 3 320.227 3.188 20 30 DGEDHM C#CC[C@H](C)O[C@@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223401489 1095960446 /nfs/dbraw/zinc/96/04/46/1095960446.db2.gz AWWYXBYKEDWAFM-BJOHPYRUSA-N -1 3 324.739 3.097 20 30 DGEDHM C#CC[C@H](C)O[C@@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223401489 1095960454 /nfs/dbraw/zinc/96/04/54/1095960454.db2.gz AWWYXBYKEDWAFM-BJOHPYRUSA-N -1 3 324.739 3.097 20 30 DGEDHM C#CC[C@@H](C)O[C@@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223401495 1095960580 /nfs/dbraw/zinc/96/05/80/1095960580.db2.gz AWWYXBYKEDWAFM-RFAUZJTJSA-N -1 3 324.739 3.097 20 30 DGEDHM C#CC[C@@H](C)O[C@@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223401495 1095960585 /nfs/dbraw/zinc/96/05/85/1095960585.db2.gz AWWYXBYKEDWAFM-RFAUZJTJSA-N -1 3 324.739 3.097 20 30 DGEDHM C[C@@H](O/C(=N\[O-])c1ccccn1)c1ccc(Br)nc1 ZINC001223975616 1096107818 /nfs/dbraw/zinc/10/78/18/1096107818.db2.gz CUSYZACQWCTVHR-FCZKIDGVSA-N -1 3 322.162 3.153 20 30 DGEDHM CC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C#N)nc2)ccc1[O-] ZINC001148656040 1096411165 /nfs/dbraw/zinc/41/11/65/1096411165.db2.gz NDSVQXIHJWCNFD-UHFFFAOYSA-N -1 3 323.352 3.043 20 30 DGEDHM CC(=O)c1cc(C(=O)NC(C)(C)c2ccc(C#N)cc2)ccc1[O-] ZINC001148669086 1096425145 /nfs/dbraw/zinc/42/51/45/1096425145.db2.gz PSMLVDVJPFKXOO-UHFFFAOYSA-N -1 3 322.364 3.132 20 30 DGEDHM COc1ccc([C@H](C)Oc2[n-]c(C)cc(=O)c2C#N)cc1OC ZINC001225469479 1096440478 /nfs/dbraw/zinc/44/04/78/1096440478.db2.gz KTXWSBSJALQGKT-NSHDSACASA-N -1 3 314.341 3.125 20 30 DGEDHM C=C[C@H](C)Oc1cc(C)cc([O-])c1I ZINC001225509984 1096454287 /nfs/dbraw/zinc/45/42/87/1096454287.db2.gz ARHQYSDSIZNXMZ-QMMMGPOBSA-N -1 3 304.127 3.259 20 30 DGEDHM COc1ccnc(OC(=C([O-])c2ccco2)c2ccco2)c1C#N ZINC001225565891 1096468860 /nfs/dbraw/zinc/46/88/60/1096468860.db2.gz INHOKPPQUNDPQE-MRXNPFEDSA-N -1 3 324.292 3.151 20 30 DGEDHM C=CCOc1ccccc1[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666737 1096499497 /nfs/dbraw/zinc/49/94/97/1096499497.db2.gz LRSLWENFQAEPLU-LLVKDONJSA-N -1 3 316.313 3.400 20 30 DGEDHM CCc1ccc2c(cc(Cl)nc2N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1 ZINC001171363127 1096529078 /nfs/dbraw/zinc/52/90/78/1096529078.db2.gz SNNYKWKRXDCXDD-XPTSAGLGSA-N -1 3 319.792 3.099 20 30 DGEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225998568 1096585754 /nfs/dbraw/zinc/58/57/54/1096585754.db2.gz NOZSFCUCHXFNGR-ZDUSSCGKSA-N -1 3 306.358 3.260 20 30 DGEDHM Cc1cc(=O)oc2cc([O-])c(O[C@@H](C#N)c3ccccc3)cc12 ZINC001226535875 1096716456 /nfs/dbraw/zinc/71/64/56/1096716456.db2.gz RYNXKOPRHXYZQT-KRWDZBQOSA-N -1 3 307.305 3.451 20 30 DGEDHM C#CC[C@H](CC)Oc1cccc([O-])c1I ZINC001227381908 1096923863 /nfs/dbraw/zinc/92/38/63/1096923863.db2.gz RQZKEGZTUYAXMR-VIFPVBQESA-N -1 3 316.138 3.178 20 30 DGEDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227346443 1096918775 /nfs/dbraw/zinc/91/87/75/1096918775.db2.gz SQUSEUGRZYWJKV-JOCQHMNTSA-N -1 3 318.373 3.041 20 30 DGEDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)c1ccccc1C#N ZINC001227743602 1096979994 /nfs/dbraw/zinc/97/99/94/1096979994.db2.gz VIGDWOBLZAUZGG-JTQLQIEISA-N -1 3 308.297 3.483 20 30 DGEDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)c1ccccc1C#N ZINC001227743602 1096979996 /nfs/dbraw/zinc/97/99/96/1096979996.db2.gz VIGDWOBLZAUZGG-JTQLQIEISA-N -1 3 308.297 3.483 20 30 DGEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc(C(=O)OC)ccc2[O-])C1 ZINC001227820664 1096994592 /nfs/dbraw/zinc/99/45/92/1096994592.db2.gz YTIUHDWOLPZJJB-SWLSCSKDSA-N -1 3 303.358 3.254 20 30 DGEDHM C#C[C@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)C(C)C ZINC001227939703 1097017198 /nfs/dbraw/zinc/01/71/98/1097017198.db2.gz DDEONSXRRFATSU-INIZCTEOSA-N -1 3 310.349 3.365 20 30 DGEDHM C=C(C)C(=O)OC[C@@H](C)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228130705 1097058677 /nfs/dbraw/zinc/05/86/77/1097058677.db2.gz CIPWDQYSRKVGFK-GFCCVEGCSA-N -1 3 320.385 3.434 20 30 DGEDHM C=C1O[C@@H](C)C(=O)C1Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228134435 1097059795 /nfs/dbraw/zinc/05/97/95/1097059795.db2.gz QKEJJZNYLYRVBS-JTQLQIEISA-N -1 3 304.342 3.145 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2n[n-]c(-c3ccncc3)n2)O1 ZINC001228696870 1097171211 /nfs/dbraw/zinc/17/12/11/1097171211.db2.gz CWDZDOMHSPNEEZ-DYVFJYSZSA-N -1 3 314.389 3.148 20 30 DGEDHM C#C[C@@H](Oc1[n-]c(=O)nc2cccc(OC)c21)c1ccccc1 ZINC001229237820 1097281982 /nfs/dbraw/zinc/28/19/82/1097281982.db2.gz BRYFIXURWKAHMP-CQSZACIVSA-N -1 3 306.321 3.097 20 30 DGEDHM [O-]c1ccccc1/N=C/c1ccccc1O[C@@H]1COC[C@H]1F ZINC001229933234 1097414421 /nfs/dbraw/zinc/41/44/21/1097414421.db2.gz NTLVYKJOJFXFHR-GCRMOHKLSA-N -1 3 301.317 3.259 20 30 DGEDHM C=C[C@]1(C)CC[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)(C)O1 ZINC001229950631 1097416975 /nfs/dbraw/zinc/41/69/75/1097416975.db2.gz NEBWBYYMZYKLDU-WMLDXEAASA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)(C)O1 ZINC001229950631 1097416978 /nfs/dbraw/zinc/41/69/78/1097416978.db2.gz NEBWBYYMZYKLDU-WMLDXEAASA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccccc2-c2nnn[n-]2)O1 ZINC001229954767 1097417529 /nfs/dbraw/zinc/41/75/29/1097417529.db2.gz OYSKUJBPDVOKKQ-PBHICJAKSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2ccccc2-c2nn[n-]n2)O1 ZINC001229954767 1097417531 /nfs/dbraw/zinc/41/75/31/1097417531.db2.gz OYSKUJBPDVOKKQ-PBHICJAKSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@H](Oc2nc(=O)[n-]c3c2SCC3)C(C)(C)O1 ZINC001230792842 1097588745 /nfs/dbraw/zinc/58/87/45/1097588745.db2.gz UEVZBRGJCDOXBB-MEDUHNTESA-N -1 3 322.430 3.112 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](Oc2nc(=O)[n-]c3c2SCC3)C(C)(C)O1 ZINC001230792843 1097589019 /nfs/dbraw/zinc/58/90/19/1097589019.db2.gz UEVZBRGJCDOXBB-ZBEGNZNMSA-N -1 3 322.430 3.112 20 30 DGEDHM C#C[C@@H](Oc1[n-]c(=O)nc2ccc(OC)cc21)c1ccccc1 ZINC001230853995 1097607240 /nfs/dbraw/zinc/60/72/40/1097607240.db2.gz PEFYTMMGQXAXSH-MRXNPFEDSA-N -1 3 306.321 3.097 20 30 DGEDHM C#C[C@H](CCCC)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231089546 1097666058 /nfs/dbraw/zinc/66/60/58/1097666058.db2.gz UQJLFZSHIBTZQS-SNVBAGLBSA-N -1 3 311.765 3.188 20 30 DGEDHM N#CCN1CC[C@H](Oc2ccccc2Oc2ccccc2[O-])C1 ZINC001231224072 1097697752 /nfs/dbraw/zinc/69/77/52/1097697752.db2.gz VRTKDKADSYBJFP-AWEZNQCLSA-N -1 3 310.353 3.161 20 30 DGEDHM N#Cc1oc2ccccc2c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429482 1098044425 /nfs/dbraw/zinc/04/44/25/1098044425.db2.gz ZDCJSKBLUMAHQF-UHFFFAOYSA-N -1 3 302.297 3.228 20 30 DGEDHM N#CC=C([O-])c1ccccc1OC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001233525303 1098364281 /nfs/dbraw/zinc/36/42/81/1098364281.db2.gz UJPZEQIKOHHVTQ-KDOFPFPSSA-N -1 3 315.369 3.238 20 30 DGEDHM COC(=O)c1cc(Nc2cc([O-])cc(Cl)c2)ccc1C#N ZINC001176625867 1098394562 /nfs/dbraw/zinc/39/45/62/1098394562.db2.gz QJNFUFNKZFGKBQ-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM CCOC(=O)[C@H]1CC[C@H](Oc2ccc(/C=N/[O-])cc2OC)CC1 ZINC001233801691 1098434371 /nfs/dbraw/zinc/43/43/71/1098434371.db2.gz CKGXOPFXQIGEQM-HCPLFHOXSA-N -1 3 321.373 3.004 20 30 DGEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3CCCc4cccnc43)c12 ZINC001234511120 1098575457 /nfs/dbraw/zinc/57/54/57/1098575457.db2.gz JQLBDCGUESDSOO-CQSZACIVSA-N -1 3 318.336 3.058 20 30 DGEDHM N#Cc1cc(NC(=O)/C=C/c2cc(F)c(F)cc2F)ccc1[O-] ZINC001179885169 1099237438 /nfs/dbraw/zinc/23/74/38/1099237438.db2.gz YBPOXMIITGWJLL-DAFODLJHSA-N -1 3 318.254 3.333 20 30 DGEDHM CCCCCCCCS(=O)(=O)[N-]c1cccn2ccnc12 ZINC001187993435 1099651459 /nfs/dbraw/zinc/65/14/59/1099651459.db2.gz WDOXWLIMGXAUCI-UHFFFAOYSA-N -1 3 309.435 3.437 20 30 DGEDHM CCCCCCCCS(=O)(=O)[N-]c1ncccc1N(C)C ZINC001188002119 1099656036 /nfs/dbraw/zinc/65/60/36/1099656036.db2.gz WZDNIQJKNRIQST-UHFFFAOYSA-N -1 3 313.467 3.250 20 30 DGEDHM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cnc[n-]c2=O)c1 ZINC001189255486 1099994829 /nfs/dbraw/zinc/99/48/29/1099994829.db2.gz VBTDKWICSMIJCM-UHFFFAOYSA-N -1 3 312.373 3.272 20 30 DGEDHM C#CCN(C)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237791153 1100247107 /nfs/dbraw/zinc/24/71/07/1100247107.db2.gz HPIFEEJEZIZVKF-UHFFFAOYSA-N -1 3 322.124 3.239 20 30 DGEDHM CCOc1ccc(C(=O)[N-]c2c(C#N)oc3ccccc32)nc1 ZINC001190778495 1100336256 /nfs/dbraw/zinc/33/62/56/1100336256.db2.gz WAJWNBSPZMHRFD-UHFFFAOYSA-N -1 3 307.309 3.350 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)CC2CCCC2)c2cccnc12 ZINC001191535184 1100479792 /nfs/dbraw/zinc/47/97/92/1100479792.db2.gz HKKWITFLBRNDDR-UHFFFAOYSA-N -1 3 315.398 3.038 20 30 DGEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1nc(C)ccc1[O-] ZINC001195332276 1101126844 /nfs/dbraw/zinc/12/68/44/1101126844.db2.gz NDFNZCHJOHBYNF-ZDUSSCGKSA-N -1 3 312.369 3.151 20 30 DGEDHM N#Cc1cc(NC(=O)c2nccc(Cl)c2Cl)ccc1[O-] ZINC001195458595 1101137878 /nfs/dbraw/zinc/13/78/78/1101137878.db2.gz FOSRQMCOKLMAOS-UHFFFAOYSA-N -1 3 308.124 3.218 20 30 DGEDHM N#Cc1ccc(-c2ccccc2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001241441253 1101460176 /nfs/dbraw/zinc/46/01/76/1101460176.db2.gz QZAKHEHJDUBHHC-UHFFFAOYSA-N -1 3 324.347 3.467 20 30 DGEDHM N#Cc1ccc(-c2ccccc2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001241441253 1101460181 /nfs/dbraw/zinc/46/01/81/1101460181.db2.gz QZAKHEHJDUBHHC-UHFFFAOYSA-N -1 3 324.347 3.467 20 30 DGEDHM COc1cc([O-])ccc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001197153759 1101491173 /nfs/dbraw/zinc/49/11/73/1101491173.db2.gz GXOYGIBHUCTJOS-UHFFFAOYSA-N -1 3 314.366 3.075 20 30 DGEDHM N#Cc1cc(NC(=O)c2cccn2Cc2ccccc2)ccc1[O-] ZINC001199778091 1102212183 /nfs/dbraw/zinc/21/21/83/1102212183.db2.gz BPKVQXBUAMHLJN-UHFFFAOYSA-N -1 3 317.348 3.366 20 30 DGEDHM CSc1ncc(C#N)c(-c2cc([O-])cc(C(F)(F)F)c2)n1 ZINC001242779988 1102338023 /nfs/dbraw/zinc/33/80/23/1102338023.db2.gz GWPHEOATGDHRLN-UHFFFAOYSA-N -1 3 311.288 3.462 20 30 DGEDHM C=CCOC(=O)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224756 1102534659 /nfs/dbraw/zinc/53/46/59/1102534659.db2.gz UCTRMHVERLNLHG-UHFFFAOYSA-N -1 3 314.297 3.387 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(C2(C#N)CC2)cc1 ZINC001243424917 1102714875 /nfs/dbraw/zinc/71/48/75/1102714875.db2.gz YHONMODFOXEWHQ-UHFFFAOYSA-N -1 3 301.353 3.397 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(C2(C#N)CC2)cc1 ZINC001243424917 1102714886 /nfs/dbraw/zinc/71/48/86/1102714886.db2.gz YHONMODFOXEWHQ-UHFFFAOYSA-N -1 3 301.353 3.397 20 30 DGEDHM CCOC(=O)Cc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001243522155 1102775596 /nfs/dbraw/zinc/77/55/96/1102775596.db2.gz VWQSDOXKEOGORW-YBFXNURJSA-N -1 3 301.317 3.406 20 30 DGEDHM CC(C)NC(=O)COc1cccc(-c2cccc(/C=N/[O-])c2)c1 ZINC001243890109 1103033365 /nfs/dbraw/zinc/03/33/65/1103033365.db2.gz ZWPZTZPEVNLEDP-YBFXNURJSA-N -1 3 312.369 3.065 20 30 DGEDHM Cc1cc(-c2ccc(COS(C)(=O)=O)cc2C)cc([O-])c1F ZINC001244525996 1103498202 /nfs/dbraw/zinc/49/82/02/1103498202.db2.gz WWWBKVUEAAMPAA-UHFFFAOYSA-N -1 3 324.373 3.291 20 30 DGEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2)cc1C#N ZINC001251668654 1105680659 /nfs/dbraw/zinc/68/06/59/1105680659.db2.gz ZPXZJWWXHPMYRK-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM C#Cc1cc([N-]S(=O)(=O)c2ccc(CC)cc2)ccc1F ZINC001255075460 1106174455 /nfs/dbraw/zinc/17/44/55/1106174455.db2.gz FOJCYEGOQNNPAO-UHFFFAOYSA-N -1 3 303.358 3.170 20 30 DGEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC001256824815 1106491826 /nfs/dbraw/zinc/49/18/26/1106491826.db2.gz ODCHNDFKWHJNDA-CQSZACIVSA-N -1 3 324.764 3.022 20 30 DGEDHM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258893601 1107042520 /nfs/dbraw/zinc/04/25/20/1107042520.db2.gz MLPHUHBXLWMHQD-LBPRGKRZSA-N -1 3 321.229 3.210 20 30 DGEDHM C=CC[C@H]1N(C(=O)CCc2c(C)nc[n-]c2=O)CCCC1(C)C ZINC001322106266 1107513412 /nfs/dbraw/zinc/51/34/12/1107513412.db2.gz AOSVUSBPUVBBFO-OAHLLOKOSA-N -1 3 317.433 3.017 20 30 DGEDHM Cn1ccnc1C(C#N)=C([O-])c1nc2ccccc2cc1C1CC1 ZINC001263332638 1108020432 /nfs/dbraw/zinc/02/04/32/1108020432.db2.gz UXGGTGGCQSCFDR-OAHLLOKOSA-N -1 3 316.364 3.336 20 30 DGEDHM N#Cc1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)nc1Cl ZINC001265602102 1108930866 /nfs/dbraw/zinc/93/08/66/1108930866.db2.gz UYVZQCFOTJWTPC-UHFFFAOYSA-N -1 3 311.650 3.276 20 30 DGEDHM N#Cc1cc(NC(=O)/C=C/c2cncc([O-])c2)ccc1C1CC1 ZINC001303067113 1111132957 /nfs/dbraw/zinc/13/29/57/1111132957.db2.gz AOEFVAWXUQYLPJ-LZCJLJQNSA-N -1 3 305.337 3.188 20 30 DGEDHM CC(C)(C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC001306898764 1111248996 /nfs/dbraw/zinc/24/89/96/1111248996.db2.gz PRYSMUQZHOBHJK-UHFFFAOYSA-N -1 3 312.344 3.393 20 30 DGEDHM CCc1c(C)sc([N-]C(=O)c2cnc(C(C)=O)s2)c1C#N ZINC000415114740 529492694 /nfs/dbraw/zinc/49/26/94/529492694.db2.gz DBEAANWOKWSZNJ-UHFFFAOYSA-N -1 3 319.411 3.402 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000431908225 529983719 /nfs/dbraw/zinc/98/37/19/529983719.db2.gz ZIXUGSOUNQQJIH-UHFFFAOYSA-N -1 3 300.745 3.189 20 30 DGEDHM CN1CCCC(C)(C)[C@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000330906249 530051509 /nfs/dbraw/zinc/05/15/09/530051509.db2.gz ZUVMMDWBTDLDAX-GFCCVEGCSA-N -1 3 312.360 3.095 20 30 DGEDHM Cn1cc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)c2ccccc21 ZINC000066044103 432013867 /nfs/dbraw/zinc/01/38/67/432013867.db2.gz IJKFBAIFRROGLI-UHFFFAOYSA-N -1 3 321.340 3.387 20 30 DGEDHM Cn1cc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)c2ccccc21 ZINC000066044103 432013869 /nfs/dbraw/zinc/01/38/69/432013869.db2.gz IJKFBAIFRROGLI-UHFFFAOYSA-N -1 3 321.340 3.387 20 30 DGEDHM Cn1cc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)c2ccccc21 ZINC000066044103 432013871 /nfs/dbraw/zinc/01/38/71/432013871.db2.gz IJKFBAIFRROGLI-UHFFFAOYSA-N -1 3 321.340 3.387 20 30 DGEDHM COc1ccc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C#N ZINC000277415924 213509482 /nfs/dbraw/zinc/50/94/82/213509482.db2.gz SPETXNCWFUQBCY-SCLBCKFNSA-N -1 3 324.380 3.118 20 30 DGEDHM CC(C)c1cc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)on1 ZINC000274945750 186447156 /nfs/dbraw/zinc/44/71/56/186447156.db2.gz GYWLZTPVYNPMSX-UHFFFAOYSA-N -1 3 310.357 3.196 20 30 DGEDHM N#Cc1ccsc1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000164839138 432052202 /nfs/dbraw/zinc/05/22/02/432052202.db2.gz JMRJPKMZTRBQGX-SNVBAGLBSA-N -1 3 305.384 3.180 20 30 DGEDHM N#CCOc1ccc(/C=C/C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000179643083 432065190 /nfs/dbraw/zinc/06/51/90/432065190.db2.gz WSTVHBGRSGMLTA-FPYGCLRLSA-N -1 3 312.300 3.086 20 30 DGEDHM N#CCCN(Cc1ccco1)C(=O)c1cc([O-])ccc1Cl ZINC000433341166 238156578 /nfs/dbraw/zinc/15/65/78/238156578.db2.gz FFCQFGXMCRVLNP-UHFFFAOYSA-N -1 3 304.733 3.195 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000435423347 238303464 /nfs/dbraw/zinc/30/34/64/238303464.db2.gz TWHGYMVOBKAHLQ-RWMBFGLXSA-N -1 3 324.471 3.257 20 30 DGEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443019137 239164770 /nfs/dbraw/zinc/16/47/70/239164770.db2.gz PQARYCVVROGNGF-GHMZBOCLSA-N -1 3 312.822 3.069 20 30 DGEDHM CN(CC(C)(C)C#N)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000452144068 241330932 /nfs/dbraw/zinc/33/09/32/241330932.db2.gz FDQPVCLJTRFQDY-UHFFFAOYSA-N -1 3 310.397 3.486 20 30 DGEDHM N#Cc1ccc(CN(Cc2cc(=O)[n-]c(C3CC3)n2)C2CC2)cc1 ZINC000459331513 243339486 /nfs/dbraw/zinc/33/94/86/243339486.db2.gz UIZPESMYUYAPNY-UHFFFAOYSA-N -1 3 320.396 3.096 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496380597 246389636 /nfs/dbraw/zinc/38/96/36/246389636.db2.gz QZOHMHWPXUIQQC-GFCCVEGCSA-N -1 3 320.389 3.198 20 30 DGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000344235017 254242966 /nfs/dbraw/zinc/24/29/66/254242966.db2.gz PZVOVPRGENDISA-CYBMUJFWSA-N -1 3 324.789 3.234 20 30 DGEDHM C[C@H]1CCN(C(=O)CNc2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000345120320 254332396 /nfs/dbraw/zinc/33/23/96/254332396.db2.gz AOMSGKAMDKTNKE-ZDUSSCGKSA-N -1 3 321.380 3.216 20 30 DGEDHM C=C(C)COc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000155983214 197078125 /nfs/dbraw/zinc/07/81/25/197078125.db2.gz UMNDATCVMAKRED-HNNXBMFYSA-N -1 3 306.362 3.221 20 30 DGEDHM C=C(C)COc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000155983214 197078127 /nfs/dbraw/zinc/07/81/27/197078127.db2.gz UMNDATCVMAKRED-HNNXBMFYSA-N -1 3 306.362 3.221 20 30 DGEDHM COc1ccc(C(F)(F)C(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000152232764 533371044 /nfs/dbraw/zinc/37/10/44/533371044.db2.gz IRKWOBPIBPFGBN-WBMJQRKESA-N -1 3 322.355 3.376 20 30 DGEDHM Cc1ccc(NC(=O)c2cc3ccccc3n2CC#N)c([O-])c1 ZINC000609200451 400150111 /nfs/dbraw/zinc/15/01/11/400150111.db2.gz FPYWADJDQZIMPZ-UHFFFAOYSA-N -1 3 305.337 3.431 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000610339289 400243599 /nfs/dbraw/zinc/24/35/99/400243599.db2.gz OTQRBGAKOFLAEU-GFCCVEGCSA-N -1 3 318.373 3.045 20 30 DGEDHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084602 400212172 /nfs/dbraw/zinc/21/21/72/400212172.db2.gz PGJXDMOWLXYGOX-UKRRQHHQSA-N -1 3 324.421 3.335 20 30 DGEDHM C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cccc(C#N)c1 ZINC000589438008 400296688 /nfs/dbraw/zinc/29/66/88/400296688.db2.gz OTGBRYVXECARFH-JTQLQIEISA-N -1 3 300.745 3.408 20 30 DGEDHM CCCn1cc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)nn1 ZINC000611359806 400384708 /nfs/dbraw/zinc/38/47/08/400384708.db2.gz SGZBFSISPROVLI-UHFFFAOYSA-N -1 3 317.418 3.171 20 30 DGEDHM N#Cc1ccccc1C=Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000589821030 400330341 /nfs/dbraw/zinc/33/03/41/400330341.db2.gz MHXZRRLAOCVMJP-SOFGYWHQSA-N -1 3 314.308 3.050 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(OC(F)F)c2)nc(C)n1 ZINC000041574242 400409494 /nfs/dbraw/zinc/40/94/94/400409494.db2.gz FUDMIXJBDWAQHS-ZDUSSCGKSA-N -1 3 317.295 3.185 20 30 DGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc2c(c1)CCCC2 ZINC000073956753 400481685 /nfs/dbraw/zinc/48/16/85/400481685.db2.gz NJQLISCYIJXFOH-UHFFFAOYSA-N -1 3 310.279 3.339 20 30 DGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc2c(c1)CCCC2 ZINC000073956753 400481689 /nfs/dbraw/zinc/48/16/89/400481689.db2.gz NJQLISCYIJXFOH-UHFFFAOYSA-N -1 3 310.279 3.339 20 30 DGEDHM CC1(C(=O)[O-])CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000592423529 400647946 /nfs/dbraw/zinc/64/79/46/400647946.db2.gz NLHUJQYIXIEVJT-UHFFFAOYSA-N -1 3 316.401 3.056 20 30 DGEDHM O=C(CNc1ccccc1Cl)Nc1nnc(-c2ccco2)[n-]1 ZINC000076653371 400665965 /nfs/dbraw/zinc/66/59/65/400665965.db2.gz XSCSJRXTTYQJGO-UHFFFAOYSA-N -1 3 317.736 3.418 20 30 DGEDHM O=C(CNc1ccccc1Cl)Nc1nc(-c2ccco2)n[n-]1 ZINC000076653371 400665967 /nfs/dbraw/zinc/66/59/67/400665967.db2.gz XSCSJRXTTYQJGO-UHFFFAOYSA-N -1 3 317.736 3.418 20 30 DGEDHM O=C(CNc1ccccc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC000076653371 400665968 /nfs/dbraw/zinc/66/59/68/400665968.db2.gz XSCSJRXTTYQJGO-UHFFFAOYSA-N -1 3 317.736 3.418 20 30 DGEDHM N#C[C@]1(C(=O)NCc2ccc([O-])c3ncccc23)CC12CCCC2 ZINC000597732223 400666696 /nfs/dbraw/zinc/66/66/96/400666696.db2.gz NHIHDPYJGZRNLL-IBGZPJMESA-N -1 3 321.380 3.031 20 30 DGEDHM N#Cc1ccc2c(c1)CCN2C(=O)CCCc1ccc([O-])c(F)c1 ZINC000597774174 400669949 /nfs/dbraw/zinc/66/99/49/400669949.db2.gz WEFJEMNEWWSGCU-UHFFFAOYSA-N -1 3 324.355 3.315 20 30 DGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000593278073 400807324 /nfs/dbraw/zinc/80/73/24/400807324.db2.gz GTLWYSCFXBJSQH-CYBMUJFWSA-N -1 3 318.801 3.086 20 30 DGEDHM CC1(C#N)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598693909 400860101 /nfs/dbraw/zinc/86/01/01/400860101.db2.gz GFZYPSKUNYJHGM-UHFFFAOYSA-N -1 3 312.291 3.177 20 30 DGEDHM N#CC(=C([O-])c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000181010115 400887020 /nfs/dbraw/zinc/88/70/20/400887020.db2.gz WZQQRVVWKWKTAA-LLVKDONJSA-N -1 3 306.243 3.470 20 30 DGEDHM N#CC1(CNC(=O)c2cc(OCc3ccccc3)ccc2[O-])CC1 ZINC000619546865 400864592 /nfs/dbraw/zinc/86/45/92/400864592.db2.gz FXRWIJUEHBVMKI-UHFFFAOYSA-N -1 3 322.364 3.005 20 30 DGEDHM Cc1cc(C(=O)NCc2ccc(C#N)c(Cl)c2)ccc1[O-] ZINC000619781178 400906013 /nfs/dbraw/zinc/90/60/13/400906013.db2.gz XMBFDFRXGXHJQX-UHFFFAOYSA-N -1 3 300.745 3.156 20 30 DGEDHM CC(C)c1csc(C(C#N)=C([O-])c2cn3ccccc3n2)n1 ZINC000080451277 400953336 /nfs/dbraw/zinc/95/33/36/400953336.db2.gz KPYHFQXFJJRMSZ-LLVKDONJSA-N -1 3 310.382 3.404 20 30 DGEDHM Cc1cccc([O-])c1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000599019284 400928043 /nfs/dbraw/zinc/92/80/43/400928043.db2.gz DQIZMFJNVSWKDA-UHFFFAOYSA-N -1 3 306.365 3.377 20 30 DGEDHM CN1CCC(=O)C[C@@H]1c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC000629729951 401061305 /nfs/dbraw/zinc/06/13/05/401061305.db2.gz KWLFPCABWYCBNV-GOSISDBHSA-N -1 3 306.365 3.267 20 30 DGEDHM N#CC(=C([O-])c1cccc(Cl)c1)c1nnc2n1CCCCC2 ZINC000060851061 401136678 /nfs/dbraw/zinc/13/66/78/401136678.db2.gz YSBSPSCNFGKZGA-CYBMUJFWSA-N -1 3 314.776 3.148 20 30 DGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)C1CC1 ZINC000594743536 401167158 /nfs/dbraw/zinc/16/71/58/401167158.db2.gz GRGFAQPCGRMWIY-SNVBAGLBSA-N -1 3 320.439 3.158 20 30 DGEDHM C=CCC[C@@H](C(=O)N1Cc2nc(C)[n-]c(=O)c2C1)c1ccccc1 ZINC000636285737 401551034 /nfs/dbraw/zinc/55/10/34/401551034.db2.gz KZCJSDUXHUTUEW-OAHLLOKOSA-N -1 3 323.396 3.083 20 30 DGEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000153436487 227086544 /nfs/dbraw/zinc/08/65/44/227086544.db2.gz YZJZYBPPAUUXKG-ZDUSSCGKSA-N -1 3 310.344 3.232 20 30 DGEDHM O=C(NCC1(c2ccncc2)CCCC1)c1csc(=O)[n-]1 ZINC000329970625 228969671 /nfs/dbraw/zinc/96/96/71/228969671.db2.gz XZLIWOGCSVFXAX-UHFFFAOYSA-N -1 3 303.387 3.060 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cc(F)cc(Cl)c2)nc(C)n1 ZINC000340860227 229092746 /nfs/dbraw/zinc/09/27/46/229092746.db2.gz PLFLUMQNLIKWDW-ZDUSSCGKSA-N -1 3 303.724 3.376 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3nc(C)c(C)nc3C)nc21 ZINC000342346497 229110540 /nfs/dbraw/zinc/11/05/40/229110540.db2.gz INPOVYHQUUIDRN-ZDUSSCGKSA-N -1 3 319.368 3.077 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3nc(C)c(C)nc3C)[nH]c21 ZINC000342346497 229110544 /nfs/dbraw/zinc/11/05/44/229110544.db2.gz INPOVYHQUUIDRN-ZDUSSCGKSA-N -1 3 319.368 3.077 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc3ncccc3c2)nc(C)n1 ZINC000340186520 229086511 /nfs/dbraw/zinc/08/65/11/229086511.db2.gz RZJZPPQKYGFNRH-OAHLLOKOSA-N -1 3 302.337 3.132 20 30 DGEDHM N#CC(=C([O-])c1ccc2nsnc2c1)c1nc2ccccc2[nH]1 ZINC000354216022 229291897 /nfs/dbraw/zinc/29/18/97/229291897.db2.gz BVIFSMNGIJEVHT-JTQLQIEISA-N -1 3 319.349 3.058 20 30 DGEDHM C[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000186328481 263654273 /nfs/dbraw/zinc/65/42/73/263654273.db2.gz TZFRQAUOURWPHL-CYBMUJFWSA-N -1 3 306.365 3.347 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2F)c(Cl)c1 ZINC000396546115 268161746 /nfs/dbraw/zinc/16/17/46/268161746.db2.gz MYMFGBFFBNBGKT-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM CC(=O)Nc1ccc([O-])c(C(=O)NC2[C@H](C)CCC[C@H]2C)c1 ZINC000331227877 277079603 /nfs/dbraw/zinc/07/96/03/277079603.db2.gz FCTSWDCYHRDTBM-GHMZBOCLSA-N -1 3 304.390 3.480 20 30 DGEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cnccn3)sc2[C@@H](C)C1 ZINC000297907570 280021641 /nfs/dbraw/zinc/02/16/41/280021641.db2.gz RJBHBXOVJXVETA-ZJUUUORDSA-N -1 3 312.398 3.348 20 30 DGEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3cnccn3)sc2CC[C@@H]1C ZINC000297814088 280120656 /nfs/dbraw/zinc/12/06/56/280120656.db2.gz LTFFAWHSLKXPPM-VHSXEESVSA-N -1 3 312.398 3.348 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2ccc(F)cc2C#N)c(F)c1 ZINC000119379771 431683948 /nfs/dbraw/zinc/68/39/48/431683948.db2.gz YJTBPPCLFLPKTO-UHFFFAOYSA-N -1 3 301.227 3.100 20 30 DGEDHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nnc(-c3ccco3)[n-]1)C2 ZINC000079988466 431757947 /nfs/dbraw/zinc/75/79/47/431757947.db2.gz XUHPJWOLNPLLOE-CQSZACIVSA-N -1 3 324.340 3.273 20 30 DGEDHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nc(-c3ccco3)n[n-]1)C2 ZINC000079988466 431757950 /nfs/dbraw/zinc/75/79/50/431757950.db2.gz XUHPJWOLNPLLOE-CQSZACIVSA-N -1 3 324.340 3.273 20 30 DGEDHM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1n[n-]c(-c3ccco3)n1)C2 ZINC000079988466 431757954 /nfs/dbraw/zinc/75/79/54/431757954.db2.gz XUHPJWOLNPLLOE-CQSZACIVSA-N -1 3 324.340 3.273 20 30 DGEDHM CC(C)C(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041481003 431859426 /nfs/dbraw/zinc/85/94/26/431859426.db2.gz BMVDIEFAVUPTLU-OAHLLOKOSA-N -1 3 307.353 3.166 20 30 DGEDHM CN(C)c1cc(C([O-])=C(C#N)c2ccccn2)c2ccccc2n1 ZINC000123579063 431868857 /nfs/dbraw/zinc/86/88/57/431868857.db2.gz BTNOBNMXDFGGSL-OAHLLOKOSA-N -1 3 316.364 3.186 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1C(C)C ZINC000092693713 431911337 /nfs/dbraw/zinc/91/13/37/431911337.db2.gz SRCTWCIKLCBBFK-GFCCVEGCSA-N -1 3 307.357 3.139 20 30 DGEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125338275 431921878 /nfs/dbraw/zinc/92/18/78/431921878.db2.gz NVFAOULWBJOPSQ-VIFPVBQESA-N -1 3 303.280 3.331 20 30 DGEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cncc3ccccc32)cc1 ZINC000095988778 431933065 /nfs/dbraw/zinc/93/30/65/431933065.db2.gz SKAMJZADCBRTEU-UHFFFAOYSA-N -1 3 323.377 3.048 20 30 DGEDHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000192465424 432379028 /nfs/dbraw/zinc/37/90/28/432379028.db2.gz LMAHFFJLXJQODZ-ZDUSSCGKSA-N -1 3 324.380 3.496 20 30 DGEDHM CN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184971466 432451206 /nfs/dbraw/zinc/45/12/06/432451206.db2.gz RGYSUGLJQPRNLK-UHFFFAOYSA-N -1 3 320.392 3.415 20 30 DGEDHM N#Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000175818681 432467737 /nfs/dbraw/zinc/46/77/37/432467737.db2.gz JYFNHXYLUHRVHS-UHFFFAOYSA-N -1 3 320.270 3.464 20 30 DGEDHM CC(C)(C)OCc1cc(C(=O)[N-]c2ccc(F)cc2C#N)no1 ZINC000186279652 432577669 /nfs/dbraw/zinc/57/76/69/432577669.db2.gz NBCYLNMUIKXNBE-UHFFFAOYSA-N -1 3 317.320 3.253 20 30 DGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(C)cccc1F ZINC000186479370 432598743 /nfs/dbraw/zinc/59/87/43/432598743.db2.gz RPINHTOCAZOBCX-UHFFFAOYSA-N -1 3 312.410 3.275 20 30 DGEDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(C#N)c(C)n1 ZINC000186726442 432627594 /nfs/dbraw/zinc/62/75/94/432627594.db2.gz UDKHCEQIGNVAMZ-UHFFFAOYSA-N -1 3 318.336 3.477 20 30 DGEDHM CN(CC/N=C/c1c([O-])ccc2ccccc21)CC(F)(F)F ZINC000264801210 432664585 /nfs/dbraw/zinc/66/45/85/432664585.db2.gz QTRANMBJJWITFG-KEBDBYFISA-N -1 3 310.319 3.458 20 30 DGEDHM CC(=O)N(Cc1ccc(/N=C/c2cccc([O-])c2O)cc1)C1CC1 ZINC000265613997 432714742 /nfs/dbraw/zinc/71/47/42/432714742.db2.gz PJLNGIQPVFOLKC-RGVLZGJSSA-N -1 3 324.380 3.359 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC2CCCC2)c1 ZINC000160778160 432740441 /nfs/dbraw/zinc/74/04/41/432740441.db2.gz ADGRMKLJFKJLJC-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1C#N ZINC000235889913 432746015 /nfs/dbraw/zinc/74/60/15/432746015.db2.gz OIVGAAQWINHMLP-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CCCCCCC[C@H](CC(=O)[O-])NCc1cccc(OC)n1 ZINC000277224872 432831457 /nfs/dbraw/zinc/83/14/57/432831457.db2.gz IDPBLSREZUZZSC-CQSZACIVSA-N -1 3 308.422 3.384 20 30 DGEDHM C[C@]1(CNC(=O)c2csc(=O)[n-]2)CCCc2ccccc21 ZINC000329979247 432886604 /nfs/dbraw/zinc/88/66/04/432886604.db2.gz JDRYNBIQTVHGKC-MRXNPFEDSA-N -1 3 302.399 3.448 20 30 DGEDHM C#CCn1ccc(CN(CC)Cc2c([O-])ccc3ccccc32)n1 ZINC000278608555 432897660 /nfs/dbraw/zinc/89/76/60/432897660.db2.gz DHUVEKVEFFXCSP-UHFFFAOYSA-N -1 3 319.408 3.397 20 30 DGEDHM C=CCN(Cc1cccc(C#N)c1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000298256850 433072773 /nfs/dbraw/zinc/07/27/73/433072773.db2.gz UXUPMNYIMATQAY-AWEZNQCLSA-N -1 3 308.385 3.112 20 30 DGEDHM Cc1cc(CSc2n[n-]c(-c3ccccn3)n2)ccc1C#N ZINC000447308594 433182110 /nfs/dbraw/zinc/18/21/10/433182110.db2.gz FXINVRYWSGJVID-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM CCCCCc1nnc([N-]C(=O)c2cc(C#N)oc2C)s1 ZINC000280830231 433191561 /nfs/dbraw/zinc/19/15/61/433191561.db2.gz WDZPNJQXBWGXBC-UHFFFAOYSA-N -1 3 304.375 3.296 20 30 DGEDHM C#CCO[N-]C(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000291265662 433230905 /nfs/dbraw/zinc/23/09/05/433230905.db2.gz NIZMZNKTZZHAOO-RBUKOAKNSA-N -1 3 321.376 3.050 20 30 DGEDHM C=CCNc1ncc(C(=O)Nc2cc(Cl)cc(C)c2[O-])s1 ZINC000433229280 433848040 /nfs/dbraw/zinc/84/80/40/433848040.db2.gz YNOVXDQMQJCMQQ-UHFFFAOYSA-N -1 3 323.805 3.661 20 30 DGEDHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(C#N)cc1 ZINC000352176785 433956744 /nfs/dbraw/zinc/95/67/44/433956744.db2.gz UNACYSLGANUQCZ-SNVBAGLBSA-N -1 3 300.745 3.408 20 30 DGEDHM CC1(C)C[C@]1(C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436804492 434115668 /nfs/dbraw/zinc/11/56/68/434115668.db2.gz BHWIMDPYHAGAGH-HXUWFJFHSA-N -1 3 320.392 3.405 20 30 DGEDHM C[C@H]1C[C@]1(C#N)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450419832 434165700 /nfs/dbraw/zinc/16/57/00/434165700.db2.gz PHQYIOAEANQAGR-ORAYPTAESA-N -1 3 306.365 3.471 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000416946547 434259285 /nfs/dbraw/zinc/25/92/85/434259285.db2.gz FVVAQOPOWFZBQW-SECBINFHSA-N -1 3 306.309 3.058 20 30 DGEDHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc(F)cc2nn[n-]c21 ZINC000328654968 434297203 /nfs/dbraw/zinc/29/72/03/434297203.db2.gz MIWOSITYZLHTEN-WCQYABFASA-N -1 3 302.353 3.370 20 30 DGEDHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc(F)cc2[n-]nnc21 ZINC000328654968 434297207 /nfs/dbraw/zinc/29/72/07/434297207.db2.gz MIWOSITYZLHTEN-WCQYABFASA-N -1 3 302.353 3.370 20 30 DGEDHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc(F)cc2n[n-]nc21 ZINC000328654968 434297216 /nfs/dbraw/zinc/29/72/16/434297216.db2.gz MIWOSITYZLHTEN-WCQYABFASA-N -1 3 302.353 3.370 20 30 DGEDHM O=C(NCc1ncccc1[O-])c1coc(C2CCCCC2)n1 ZINC000328706337 434301482 /nfs/dbraw/zinc/30/14/82/434301482.db2.gz AHZSUDCCSFXYJY-UHFFFAOYSA-N -1 3 301.346 3.328 20 30 DGEDHM Cc1nc(-c2ccc(NC(=O)NC3CCCC3)cc2)cc(=O)[n-]1 ZINC000328822546 434317868 /nfs/dbraw/zinc/31/78/68/434317868.db2.gz RMSLJACRJQCTMD-UHFFFAOYSA-N -1 3 312.373 3.426 20 30 DGEDHM Cc1cccc([C@@H](NCc2ccc(C#N)c(C)c2)C(=O)[O-])c1C ZINC000417569418 434446110 /nfs/dbraw/zinc/44/61/10/434446110.db2.gz UZGHVRJDOKUBQQ-GOSISDBHSA-N -1 3 308.381 3.399 20 30 DGEDHM COc1cc(CN[C@H](CCC(=O)[O-])c2ccccc2)ccc1C#N ZINC000417604219 434459255 /nfs/dbraw/zinc/45/92/55/434459255.db2.gz UDMRRBGOIVSTJV-QGZVFWFLSA-N -1 3 324.380 3.263 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000398277381 434454857 /nfs/dbraw/zinc/45/48/57/434454857.db2.gz LGMIETLPDXPXIQ-NSHDSACASA-N -1 3 312.822 3.235 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCCCCC2)c(Cl)c1 ZINC000169261916 294940069 /nfs/dbraw/zinc/94/00/69/294940069.db2.gz HSCVPJONBIJKNU-UHFFFAOYSA-N -1 3 312.822 3.213 20 30 DGEDHM CC(C)(C)OC(=O)c1ccsc1[N-]C(=O)c1ccc(C#N)o1 ZINC000410721221 434670093 /nfs/dbraw/zinc/67/00/93/434670093.db2.gz VTSPBVZGVWLXQU-UHFFFAOYSA-N -1 3 318.354 3.420 20 30 DGEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(C)c1 ZINC000524451097 434976613 /nfs/dbraw/zinc/97/66/13/434976613.db2.gz BXMZTMWKFGUOFI-UHFFFAOYSA-N -1 3 318.373 3.423 20 30 DGEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492399252 434974265 /nfs/dbraw/zinc/97/42/65/434974265.db2.gz NSZJLFCOQGHNLI-XQRVVYSFSA-N -1 3 323.352 3.098 20 30 DGEDHM C=C(C)CN(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000577761025 435062058 /nfs/dbraw/zinc/06/20/58/435062058.db2.gz ZZPZJURZBFOOLU-UHFFFAOYSA-N -1 3 312.207 3.302 20 30 DGEDHM N#Cc1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)cc1Cl ZINC000579938896 435193790 /nfs/dbraw/zinc/19/37/90/435193790.db2.gz SMYHWSZSJCNDDX-UHFFFAOYSA-N -1 3 322.715 3.200 20 30 DGEDHM C=CCC(C)(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431093 435297668 /nfs/dbraw/zinc/29/76/68/435297668.db2.gz HFFAYBXMSSIZRT-UHFFFAOYSA-N -1 3 309.719 3.062 20 30 DGEDHM CSc1nsc([N-]C(=O)c2cc(C#N)ccc2Cl)n1 ZINC000478656847 435306441 /nfs/dbraw/zinc/30/64/41/435306441.db2.gz FFHRJCBODSXCRB-UHFFFAOYSA-N -1 3 310.791 3.037 20 30 DGEDHM N#Cc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])[nH]1 ZINC000536216026 435374431 /nfs/dbraw/zinc/37/44/31/435374431.db2.gz XCNXITQKAKGFPH-UHFFFAOYSA-N -1 3 317.348 3.435 20 30 DGEDHM N#Cc1cccc(-c2cc(C(=O)Nc3cccc([O-])c3F)on2)c1 ZINC000515632754 435496197 /nfs/dbraw/zinc/49/61/97/435496197.db2.gz RBPNLSDLEOCZDE-UHFFFAOYSA-N -1 3 323.283 3.310 20 30 DGEDHM C=CCCCN(C)[C@H](C(=O)[O-])c1ccccc1Br ZINC000659787267 436524956 /nfs/dbraw/zinc/52/49/56/436524956.db2.gz CQANDHJVMAZYMT-ZDUSSCGKSA-N -1 3 312.207 3.473 20 30 DGEDHM Cc1cc(C#N)cnc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000556688640 314768282 /nfs/dbraw/zinc/76/82/82/314768282.db2.gz ADAZNYBXGJTSQZ-UHFFFAOYSA-N -1 3 321.258 3.238 20 30 DGEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000560820459 314945428 /nfs/dbraw/zinc/94/54/28/314945428.db2.gz TUDKOFBZTKVBCI-JTQLQIEISA-N -1 3 316.744 3.323 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(Br)cn1 ZINC000293667478 335114765 /nfs/dbraw/zinc/11/47/65/335114765.db2.gz QEOUFBQKHCLISY-QMMMGPOBSA-N -1 3 319.149 3.233 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H](CC(C)(C)C)C(F)(F)F)c1[O-] ZINC000272268192 334032212 /nfs/dbraw/zinc/03/22/12/334032212.db2.gz RLRWTEWDNLKQLC-WCRSTISQSA-N -1 3 318.339 3.374 20 30 DGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3cncn3c2)n1 ZINC000551483632 341342653 /nfs/dbraw/zinc/34/26/53/341342653.db2.gz QOIUAMUULDYEMN-CYBMUJFWSA-N -1 3 310.382 3.404 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000576832683 341865574 /nfs/dbraw/zinc/86/55/74/341865574.db2.gz OMUVDYQMZDZMKE-NSHDSACASA-N -1 3 317.838 3.372 20 30 DGEDHM CSc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)ccn1 ZINC000353634581 534143416 /nfs/dbraw/zinc/14/34/16/534143416.db2.gz APGPOLRDXHDLMP-GFCCVEGCSA-N -1 3 322.393 3.478 20 30 DGEDHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(CC#N)cc3)c(=O)c2c1 ZINC000346817492 534371251 /nfs/dbraw/zinc/37/12/51/534371251.db2.gz DXBFJFVBVZBIRC-UHFFFAOYSA-N -1 3 317.348 3.155 20 30 DGEDHM CC(C)(C)OCc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354476586 526564797 /nfs/dbraw/zinc/56/47/97/526564797.db2.gz ZJAXJPIMIKLEHQ-OAHLLOKOSA-N -1 3 309.369 3.282 20 30 DGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000159720455 526790123 /nfs/dbraw/zinc/79/01/23/526790123.db2.gz ODPLMSJFXDDUNL-MRXNPFEDSA-N -1 3 324.380 3.390 20 30 DGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000159720571 526791247 /nfs/dbraw/zinc/79/12/47/526791247.db2.gz ODPLMSJFXDDUNL-INIZCTEOSA-N -1 3 324.380 3.390 20 30 DGEDHM CC1=C(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)CCC1 ZINC000331227676 528084900 /nfs/dbraw/zinc/08/49/00/528084900.db2.gz BRDDUIQRDJCZHQ-UHFFFAOYSA-N -1 3 308.403 3.455 20 30 DGEDHM CCCNc1ccc(C#N)cc1[N-]C(=O)c1cc(OCC)no1 ZINC000294983118 528561657 /nfs/dbraw/zinc/56/16/57/528561657.db2.gz OBAOWTFYJCEUTA-UHFFFAOYSA-N -1 3 314.345 3.019 20 30 DGEDHM CC(C)Cn1cc(C([O-])=C(C#N)c2ccccn2)c(C(F)F)n1 ZINC000453593392 535349934 /nfs/dbraw/zinc/34/99/34/535349934.db2.gz VDJSHSAGZWVHTE-NSHDSACASA-N -1 3 318.327 3.362 20 30 DGEDHM C[C@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)N[O-] ZINC000671995637 547846867 /nfs/dbraw/zinc/84/68/67/547846867.db2.gz IEYWVTZQLNHASC-JTQLQIEISA-N -1 3 314.366 3.236 20 30 DGEDHM CC(C)(C#N)CCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000678973975 548804173 /nfs/dbraw/zinc/80/41/73/548804173.db2.gz RBHUGFLZJFMUMJ-UHFFFAOYSA-N -1 3 300.402 3.227 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNc1ccc(F)cc1F)C(=O)[N-]2 ZINC000732711077 574579754 /nfs/dbraw/zinc/57/97/54/574579754.db2.gz XUAZYPHEVPOPAM-UHFFFAOYSA-N -1 3 305.259 3.181 20 30 DGEDHM CN(C)C(=O)[C@@H]1CCC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000734096556 574650859 /nfs/dbraw/zinc/65/08/59/574650859.db2.gz PDLBPEDDMVTXON-HYUMUOPUSA-N -1 3 308.809 3.112 20 30 DGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCCN(c2ccccc2)C1 ZINC000734303028 574655587 /nfs/dbraw/zinc/65/55/87/574655587.db2.gz ASLHYDWYAKPMJP-CTFRJJSNSA-N -1 3 310.397 3.489 20 30 DGEDHM C=CCCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735417045 574702469 /nfs/dbraw/zinc/70/24/69/574702469.db2.gz XVZULLIBHSEWAN-UHFFFAOYSA-N -1 3 320.352 3.267 20 30 DGEDHM C=CCCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735417045 574702471 /nfs/dbraw/zinc/70/24/71/574702471.db2.gz XVZULLIBHSEWAN-UHFFFAOYSA-N -1 3 320.352 3.267 20 30 DGEDHM CCOc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737210517 574827358 /nfs/dbraw/zinc/82/73/58/574827358.db2.gz KROJFBQABBVNQF-FZKQIMNGSA-N -1 3 324.380 3.433 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737263974 574834630 /nfs/dbraw/zinc/83/46/30/574834630.db2.gz YIMNGWYVAKXMPI-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000737263974 574834633 /nfs/dbraw/zinc/83/46/33/574834633.db2.gz YIMNGWYVAKXMPI-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737381475 574840789 /nfs/dbraw/zinc/84/07/89/574840789.db2.gz JJPOZOMYQJLKBE-MDZDMXLPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737381475 574840791 /nfs/dbraw/zinc/84/07/91/574840791.db2.gz JJPOZOMYQJLKBE-MDZDMXLPSA-N -1 3 304.353 3.380 20 30 DGEDHM N#Cc1cc(NC(=O)C2CCCCCCC2)ccc1-c1nnn[n-]1 ZINC000737703703 574854820 /nfs/dbraw/zinc/85/48/20/574854820.db2.gz DUELQJKCVLXBSF-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1cc(NC(=O)C2CCCCCCC2)ccc1-c1nn[n-]n1 ZINC000737703703 574854822 /nfs/dbraw/zinc/85/48/22/574854822.db2.gz DUELQJKCVLXBSF-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1ccccc1SCc1ccc(-c2nnn[n-]2)cc1F ZINC000737728047 574855056 /nfs/dbraw/zinc/85/50/56/574855056.db2.gz WZSPXFATKFLLHL-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1ccc(-c2nn[n-]n2)cc1F ZINC000737728047 574855058 /nfs/dbraw/zinc/85/50/58/574855058.db2.gz WZSPXFATKFLLHL-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289172 574864622 /nfs/dbraw/zinc/86/46/22/574864622.db2.gz GZXYZUXQORXASQ-FMIVXFBMSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289172 574864624 /nfs/dbraw/zinc/86/46/24/574864624.db2.gz GZXYZUXQORXASQ-FMIVXFBMSA-N -1 3 308.366 3.141 20 30 DGEDHM c1ccc(C(CC2CC2)=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738426482 574868966 /nfs/dbraw/zinc/86/89/66/574868966.db2.gz QTVWXGBGUXNZCT-UHFFFAOYSA-N -1 3 318.384 3.483 20 30 DGEDHM c1ccc(C(CC2CC2)=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738426482 574868968 /nfs/dbraw/zinc/86/89/68/574868968.db2.gz QTVWXGBGUXNZCT-UHFFFAOYSA-N -1 3 318.384 3.483 20 30 DGEDHM Cc1cccnc1[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)C(C)C ZINC000738785762 574882074 /nfs/dbraw/zinc/88/20/74/574882074.db2.gz MEVAZROFFGMNKA-AEFFLSMTSA-N -1 3 323.396 3.374 20 30 DGEDHM CC(=N[N-]c1nc(C)cc(C)n1)c1c(Cl)nc2sccn21 ZINC000741838933 574972863 /nfs/dbraw/zinc/97/28/63/574972863.db2.gz OIUAHBFWEOJOND-UHFFFAOYSA-N -1 3 320.809 3.292 20 30 DGEDHM [O-]c1c(O)ccc(/C=N\CCc2ccc(OC(F)F)cc2)c1O ZINC000743341088 575044102 /nfs/dbraw/zinc/04/41/02/575044102.db2.gz RGYWDWHJRLLKNX-OCKHKDLRSA-N -1 3 323.295 3.066 20 30 DGEDHM CC(N=Nc1ncnc2sccc21)c1ccc([O-])cc1F ZINC000729932688 575267038 /nfs/dbraw/zinc/26/70/38/575267038.db2.gz OPTJFHUQLQQQRA-UHFFFAOYSA-N -1 3 302.334 3.372 20 30 DGEDHM CCOc1cccc([C@@H](C)/N=C\c2ccc(O)c([O-])c2O)c1 ZINC000745012261 575369059 /nfs/dbraw/zinc/36/90/59/575369059.db2.gz IJWHZJDXVYWBIJ-IPHDDYSGSA-N -1 3 301.342 3.382 20 30 DGEDHM CCOc1ccc(/C=N/Cc2ccc(OC)c(C#N)c2)c([O-])c1 ZINC000746514138 575456999 /nfs/dbraw/zinc/45/69/99/575456999.db2.gz UJKVUAYCYHEVIO-UDWIEESQSA-N -1 3 310.353 3.290 20 30 DGEDHM CCOc1ccc(/C=N\[C@H](COC)Cc2ccccc2)c([O-])c1 ZINC000746814643 575476539 /nfs/dbraw/zinc/47/65/39/575476539.db2.gz ASJGSQRFAICZEB-IZQLPPHKSA-N -1 3 313.397 3.468 20 30 DGEDHM Cc1cccc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000747317994 575511591 /nfs/dbraw/zinc/51/15/91/575511591.db2.gz CMTYUVWUHGVEDM-WDZFZDKYSA-N -1 3 315.394 3.263 20 30 DGEDHM COc1cccc([O-])c1/C=N/Cc1ncc(C)c(OC)c1C ZINC000747614465 575527359 /nfs/dbraw/zinc/52/73/59/575527359.db2.gz KVTPXJPNFHWDEF-GIJQJNRQSA-N -1 3 300.358 3.040 20 30 DGEDHM CCCCCCCN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000749160515 575632127 /nfs/dbraw/zinc/63/21/27/575632127.db2.gz ZEHBGFWIGORRIR-UHFFFAOYSA-N -1 3 304.434 3.120 20 30 DGEDHM COC(=O)c1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)o1 ZINC000749451077 575656953 /nfs/dbraw/zinc/65/69/53/575656953.db2.gz FHQHNFRDWIHWFS-VKHJRQFRSA-N -1 3 316.284 3.294 20 30 DGEDHM COc1cc(Br)cc(C=NOCC(C)C)c1[O-] ZINC000749636500 575670703 /nfs/dbraw/zinc/67/07/03/575670703.db2.gz MMEQWGOGHANQLY-UHFFFAOYSA-N -1 3 302.168 3.170 20 30 DGEDHM COC(=O)c1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)[nH]1 ZINC000751513524 575787935 /nfs/dbraw/zinc/78/79/35/575787935.db2.gz GSIVFFBNPQKGCJ-FBHKUJJOSA-N -1 3 315.300 3.029 20 30 DGEDHM C[C@H]1CN(Cc2ccccc2)CC1N=Nc1cccc(C(=O)[O-])c1 ZINC000751516845 575788016 /nfs/dbraw/zinc/78/80/16/575788016.db2.gz NEHRYGGRVUVAPJ-AWEZNQCLSA-N -1 3 323.396 3.305 20 30 DGEDHM COc1cccc([O-])c1/C=N/Cc1ccnc(OC(C)C)c1 ZINC000751523324 575788436 /nfs/dbraw/zinc/78/84/36/575788436.db2.gz LUSIGLGPMYMJAT-WOJGMQOQSA-N -1 3 300.358 3.202 20 30 DGEDHM C=C(Br)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751730035 575799903 /nfs/dbraw/zinc/79/99/03/575799903.db2.gz ARVFXHMJNRQKAN-UHFFFAOYSA-N -1 3 309.518 3.250 20 30 DGEDHM CCOc1ccc(/C=N/CC(=O)OC2CCCCC2)c([O-])c1 ZINC000751889966 575809563 /nfs/dbraw/zinc/80/95/63/575809563.db2.gz GCXSCDYUYNYWLU-WOJGMQOQSA-N -1 3 305.374 3.086 20 30 DGEDHM CCCCC[C@@H](/N=C/c1ccc(OCC)cc1[O-])C(=O)OC ZINC000751889937 575809762 /nfs/dbraw/zinc/80/97/62/575809762.db2.gz FADYOLIZXBVTEJ-GYZOOYGHSA-N -1 3 307.390 3.332 20 30 DGEDHM C[C@H](/N=C\c1ccc(O)c([O-])c1O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000752153060 575824983 /nfs/dbraw/zinc/82/49/83/575824983.db2.gz WRMUPFGQMGRBKS-OCCLEKJXSA-N -1 3 313.353 3.176 20 30 DGEDHM CCCCCCCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000748819727 576085165 /nfs/dbraw/zinc/08/51/65/576085165.db2.gz KQHWHTLXROLRKY-UHFFFAOYSA-N -1 3 304.434 3.120 20 30 DGEDHM CCCCCCCCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000726976644 576090751 /nfs/dbraw/zinc/09/07/51/576090751.db2.gz YNOMMGJZSBVKFQ-UHFFFAOYSA-N -1 3 302.415 3.250 20 30 DGEDHM COC(=O)Nc1cc(N=Cc2c([O-])cccc2OC)ccc1F ZINC000727264931 576115412 /nfs/dbraw/zinc/11/54/12/576115412.db2.gz AMLNZRVGKRVRPY-UHFFFAOYSA-N -1 3 318.304 3.469 20 30 DGEDHM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1cnc2ccccc2n1 ZINC000727256549 576115496 /nfs/dbraw/zinc/11/54/96/576115496.db2.gz PKTICEUNSOMVNC-UHFFFAOYSA-N -1 3 317.352 3.015 20 30 DGEDHM CCC[C@@H](Cc1ccccc1)/N=C/c1c([O-])c(C)ncc1CO ZINC000727781381 576145093 /nfs/dbraw/zinc/14/50/93/576145093.db2.gz LHTZXOSPEATEJW-RHLNUJDMSA-N -1 3 312.413 3.418 20 30 DGEDHM CCOc1ccc(C=Nc2ccc3[nH]c(=O)ccc3c2)c([O-])c1 ZINC000728437683 576182108 /nfs/dbraw/zinc/18/21/08/576182108.db2.gz GVIGIEPZVBDOPX-UHFFFAOYSA-N -1 3 308.337 3.383 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)ccc1[O-] ZINC000728699352 576195808 /nfs/dbraw/zinc/19/58/08/576195808.db2.gz SIRFOPSJETXVBN-CSKARUKUSA-N -1 3 305.337 3.177 20 30 DGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(C)ccc1C ZINC000920384005 620798600 /nfs/dbraw/zinc/79/86/00/620798600.db2.gz RDOLQBBGQSLSMQ-UHFFFAOYSA-N -1 3 316.426 3.147 20 30 DGEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(F)cc(F)c1[O-] ZINC000894747121 618443716 /nfs/dbraw/zinc/44/37/16/618443716.db2.gz BTJTUDDSVFRJOE-UHFFFAOYSA-N -1 3 323.339 3.334 20 30 DGEDHM N#Cc1ccc(F)c(CNCc2cc(Cl)cc(F)c2[O-])c1 ZINC000776220234 618523493 /nfs/dbraw/zinc/52/34/93/618523493.db2.gz LYYKUBSXOALOIG-UHFFFAOYSA-N -1 3 308.715 3.485 20 30 DGEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1nnc2ccccn21 ZINC000015149786 618534591 /nfs/dbraw/zinc/53/45/91/618534591.db2.gz SDHBPVMTZQRWGX-VJCPFXPRSA-N -1 3 300.749 3.268 20 30 DGEDHM O=C1[C@H](NCc2ccc(-c3ccccc3Cl)o2)CCCN1[O-] ZINC000895166002 618562502 /nfs/dbraw/zinc/56/25/02/618562502.db2.gz OAGWIFUDIVQMFS-CQSZACIVSA-N -1 3 320.776 3.070 20 30 DGEDHM Cn1nccc1[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000840710886 619006685 /nfs/dbraw/zinc/00/66/85/619006685.db2.gz VQMGSVXOFADFOB-DHHRWSQASA-N -1 3 319.792 3.118 20 30 DGEDHM Cc1[n-]n(-c2cc(C#N)ccc2Br)c(=O)c1C(C)C ZINC000899352930 619328061 /nfs/dbraw/zinc/32/80/61/619328061.db2.gz HGPVZEVUUQJJGB-CYBMUJFWSA-N -1 3 320.190 3.315 20 30 DGEDHM C[C@@H]1OCC[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900095414 619403989 /nfs/dbraw/zinc/40/39/89/619403989.db2.gz CFBUGKRSJSAFFW-UFBFGSQYSA-N -1 3 304.173 3.136 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H]1C(=O)Nc2c1cccc2F ZINC000900677670 619445004 /nfs/dbraw/zinc/44/50/04/619445004.db2.gz ATUXNMAXXMEWGZ-GFCCVEGCSA-N -1 3 308.353 3.050 20 30 DGEDHM O=C(c1cccc2c1OCCCO2)N([O-])Cc1ccc(F)cc1 ZINC000901372449 619487785 /nfs/dbraw/zinc/48/77/85/619487785.db2.gz ZRBJUDNDQWQONK-UHFFFAOYSA-N -1 3 317.316 3.019 20 30 DGEDHM CCCn1nccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369497 619490499 /nfs/dbraw/zinc/49/04/99/619490499.db2.gz DHQGZWHQIBIPML-UHFFFAOYSA-N -1 3 309.369 3.478 20 30 DGEDHM O=C(Cc1ccc2c(c1)CCCO2)N([O-])Cc1ccc(F)cc1 ZINC000901371938 619490547 /nfs/dbraw/zinc/49/05/47/619490547.db2.gz LCNBYTPDZKFPHV-UHFFFAOYSA-N -1 3 315.344 3.111 20 30 DGEDHM O=C([C@@H]1CC12CCOCC2)N([O-])Cc1cccc2ccccc21 ZINC000901371120 619490561 /nfs/dbraw/zinc/49/05/61/619490561.db2.gz MVHUKPZACHVEJQ-KRWDZBQOSA-N -1 3 311.381 3.374 20 30 DGEDHM O=C(c1cnn(CC2CC2)c1)N([O-])Cc1cccc2ccccc21 ZINC000901371265 619490577 /nfs/dbraw/zinc/49/05/77/619490577.db2.gz PYHJPMNIMWPXSS-UHFFFAOYSA-N -1 3 321.380 3.478 20 30 DGEDHM O=C(Cn1ccc2ccc(F)cc21)N([O-])Cc1ccc(F)cc1 ZINC000901372395 619491581 /nfs/dbraw/zinc/49/15/81/619491581.db2.gz YARJMHXJAQUFMS-UHFFFAOYSA-N -1 3 316.307 3.338 20 30 DGEDHM COc1ccc(SCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901375065 619491999 /nfs/dbraw/zinc/49/19/99/619491999.db2.gz BCNPQNRHUGENBP-UHFFFAOYSA-N -1 3 321.373 3.344 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ncn1 ZINC000901379183 619492545 /nfs/dbraw/zinc/49/25/45/619492545.db2.gz XCFZFRKMNNJWEH-UHFFFAOYSA-N -1 3 312.156 3.123 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cncn2C(C)C)c(OC)cc1[O-] ZINC000901485238 619510055 /nfs/dbraw/zinc/51/00/55/619510055.db2.gz HKFNYRIIMICHSN-AATRIKPKSA-N -1 3 316.357 3.083 20 30 DGEDHM O=c1[nH]ccc2cc(NN=Cc3c([O-])cccc3Cl)ccc12 ZINC000789071119 625351177 /nfs/dbraw/zinc/35/11/77/625351177.db2.gz PCJBIYWIJFJWPK-UHFFFAOYSA-N -1 3 313.744 3.333 20 30 DGEDHM C=CCCOCCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902354195 619626001 /nfs/dbraw/zinc/62/60/01/619626001.db2.gz DQACVFZPUXSDHC-UHFFFAOYSA-N -1 3 315.369 3.327 20 30 DGEDHM COCC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904180348 619888645 /nfs/dbraw/zinc/88/86/45/619888645.db2.gz JWLJSOHFHFYTLX-UHFFFAOYSA-N -1 3 304.173 3.138 20 30 DGEDHM O=C([C@H]1CCSC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181618 619889096 /nfs/dbraw/zinc/88/90/96/619889096.db2.gz WVQNHBJAXAULPY-VIFPVBQESA-N -1 3 306.214 3.464 20 30 DGEDHM CC(C)[C@@H]1C[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904174333 619892503 /nfs/dbraw/zinc/89/25/03/619892503.db2.gz ZIKJNGUXBIJPSF-ZBFHGGJFSA-N -1 3 309.381 3.385 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1[C@H](C)C1CC1 ZINC000904174158 619892643 /nfs/dbraw/zinc/89/26/43/619892643.db2.gz VEEQHZJSYRSBJS-GFCCVEGCSA-N -1 3 317.364 3.333 20 30 DGEDHM O=C(c1cnc(CC2CC2)s1)N([O-])Cc1ccc(F)cc1 ZINC000904178355 619893332 /nfs/dbraw/zinc/89/33/32/619893332.db2.gz GQHZPVWJORZNBV-UHFFFAOYSA-N -1 3 306.362 3.266 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000904207273 619893478 /nfs/dbraw/zinc/89/34/78/619893478.db2.gz XPLZCQHVBPGENT-HNNXBMFYSA-N -1 3 313.438 3.150 20 30 DGEDHM CCc1nc(CC(=O)N([O-])Cc2ccccc2Cl)cs1 ZINC000904188791 619894532 /nfs/dbraw/zinc/89/45/32/619894532.db2.gz NYZREYCYOJGQPS-UHFFFAOYSA-N -1 3 310.806 3.319 20 30 DGEDHM C=CCC1(C(=O)N([O-])Cc2ccccc2Cl)CCOCC1 ZINC000904193675 619895421 /nfs/dbraw/zinc/89/54/21/619895421.db2.gz UJEAHXMRTRMUJD-UHFFFAOYSA-N -1 3 309.793 3.431 20 30 DGEDHM O=C(c1snnc1C1CC1)N([O-])Cc1ccccc1Cl ZINC000904192746 619895651 /nfs/dbraw/zinc/89/56/51/619895651.db2.gz BGEFCJXDKHXAKA-UHFFFAOYSA-N -1 3 309.778 3.101 20 30 DGEDHM CC(C)(C)n1ccc(C(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000904192428 619895693 /nfs/dbraw/zinc/89/56/93/619895693.db2.gz LPDASAICRUBSID-UHFFFAOYSA-N -1 3 307.781 3.323 20 30 DGEDHM O=C(CCCc1cccnc1)N([O-])Cc1ccccc1Cl ZINC000904192601 619895698 /nfs/dbraw/zinc/89/56/98/619895698.db2.gz RMRMWAZDPOXANM-UHFFFAOYSA-N -1 3 304.777 3.476 20 30 DGEDHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192291 619895728 /nfs/dbraw/zinc/89/57/28/619895728.db2.gz HFFKLLXBXFBCKX-BONVTDFDSA-N -1 3 319.792 3.147 20 30 DGEDHM O=C(N([O-])Cc1ccccc1Cl)C1(c2ccccn2)CC1 ZINC000904192644 619895764 /nfs/dbraw/zinc/89/57/64/619895764.db2.gz TYCACLMDRRGHFD-UHFFFAOYSA-N -1 3 302.761 3.185 20 30 DGEDHM O=C(Cn1ccc(C(F)F)n1)N([O-])CCCCc1ccccc1 ZINC000904195834 619895994 /nfs/dbraw/zinc/89/59/94/619895994.db2.gz LPTRGCPLKDCQRI-UHFFFAOYSA-N -1 3 323.343 3.061 20 30 DGEDHM C[C@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CCC1=O ZINC000904197166 619896586 /nfs/dbraw/zinc/89/65/86/619896586.db2.gz UKWNJGJAPVUAJM-HOCLYGCPSA-N -1 3 303.402 3.232 20 30 DGEDHM COCc1ncc(C(=O)N([O-])CCCCc2ccccc2)s1 ZINC000904196408 619896693 /nfs/dbraw/zinc/89/66/93/619896693.db2.gz UPBVHWAPGDONSQ-UHFFFAOYSA-N -1 3 320.414 3.144 20 30 DGEDHM CCCCN([O-])C(=O)c1sc(-c2c(C)noc2C)nc1C ZINC000904214572 619901558 /nfs/dbraw/zinc/90/15/58/619901558.db2.gz DNONCQOYHAIFDZ-UHFFFAOYSA-N -1 3 309.391 3.355 20 30 DGEDHM CC[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000907384287 620154275 /nfs/dbraw/zinc/15/42/75/620154275.db2.gz MLVNOWILBBVCGZ-JTQLQIEISA-N -1 3 320.261 3.497 20 30 DGEDHM CC(N=Nc1nnc(-c2ccccn2)s1)c1sccc1[O-] ZINC000788026825 620510278 /nfs/dbraw/zinc/51/02/78/620510278.db2.gz LCXCPMNPMBWIJP-UHFFFAOYSA-N -1 3 317.399 3.203 20 30 DGEDHM CCOc1cc(C=NNCC(C)C)cc(Br)c1[O-] ZINC000916365659 620626903 /nfs/dbraw/zinc/62/69/03/620626903.db2.gz FVBKYPVQZNVWJD-UHFFFAOYSA-N -1 3 315.211 3.133 20 30 DGEDHM CN(C)C(=O)C1(C/N=C/c2cc(Cl)ccc2[O-])CCCC1 ZINC000113006290 620870900 /nfs/dbraw/zinc/87/09/00/620870900.db2.gz VKLXICMPFNTMBL-VCHYOVAHSA-N -1 3 308.809 3.113 20 30 DGEDHM N#C[C@H](NC(=O)c1cc2sccc2c([O-])c1)C1CCCC1 ZINC000921545137 620905974 /nfs/dbraw/zinc/90/59/74/620905974.db2.gz DBHPXMLOIAGKSF-ZDUSSCGKSA-N -1 3 300.383 3.419 20 30 DGEDHM C=CCCO[N-]C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000856030186 620955277 /nfs/dbraw/zinc/95/52/77/620955277.db2.gz SIKSZFUVTPIHCX-UHFFFAOYSA-N -1 3 300.358 3.288 20 30 DGEDHM CCOc1cc(/C=C/C(=O)c2cnccn2)cc(Cl)c1[O-] ZINC000115962334 621169035 /nfs/dbraw/zinc/16/90/35/621169035.db2.gz JLUWFDNIYNRSNY-ONEGZZNKSA-N -1 3 304.733 3.130 20 30 DGEDHM C#CCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@@H]1CCc2ccccc21 ZINC000838795027 621277102 /nfs/dbraw/zinc/27/71/02/621277102.db2.gz AHWQNVYDQGRXTG-GOSISDBHSA-N -1 3 319.408 3.182 20 30 DGEDHM COC(=O)c1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)c[nH]1 ZINC000753141657 621427679 /nfs/dbraw/zinc/42/76/79/621427679.db2.gz KNGVSFFFCAZVIN-SMSHQHMSSA-N -1 3 315.300 3.029 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1C[C@H]1c1ccco1 ZINC000860852962 621450706 /nfs/dbraw/zinc/45/07/06/621450706.db2.gz BOEPPOBELLXAFS-BZUAXINKSA-N -1 3 319.360 3.393 20 30 DGEDHM C[C@]1(C#N)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000753588709 621451718 /nfs/dbraw/zinc/45/17/18/621451718.db2.gz ZHDXHYJONJLJDY-CQSZACIVSA-N -1 3 309.207 3.280 20 30 DGEDHM [O-]c1ccc(C=NNc2ccc(F)cc2Br)nc1 ZINC000755627705 621581747 /nfs/dbraw/zinc/58/17/47/621581747.db2.gz DAIOYKSUTXLXCU-UHFFFAOYSA-N -1 3 310.126 3.135 20 30 DGEDHM CC(C)(C)c1nc(C#N)c(N=NCc2cccc(F)c2[O-])o1 ZINC000755673679 621584987 /nfs/dbraw/zinc/58/49/87/621584987.db2.gz BJBOYVRMQRBPNC-UHFFFAOYSA-N -1 3 302.309 3.134 20 30 DGEDHM COc1ccc(CCNN=Cc2c([O-])cccc2Cl)cc1 ZINC000755733717 621589418 /nfs/dbraw/zinc/58/94/18/621589418.db2.gz MYJNDVRWFJKSQZ-UHFFFAOYSA-N -1 3 304.777 3.220 20 30 DGEDHM CC(=NNc1cnc2ccccc2n1)c1cc(F)cc(F)c1[O-] ZINC000757461887 621713414 /nfs/dbraw/zinc/71/34/14/621713414.db2.gz SJAUCBXFXXMVJY-UHFFFAOYSA-N -1 3 314.295 3.450 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CC2(C(F)(F)F)CCCC2)c1[O-] ZINC000864346460 621758983 /nfs/dbraw/zinc/75/89/83/621758983.db2.gz WZCJSWOIZVRCGH-GXHLCREISA-N -1 3 316.323 3.130 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CC2(CO1)CCOCC2 ZINC000864349219 621759452 /nfs/dbraw/zinc/75/94/52/621759452.db2.gz UVYSGTGWGMEOER-BBSXFRJVSA-N -1 3 309.793 3.050 20 30 DGEDHM CCOc1cc(C=NOCC(F)F)cc(Br)c1[O-] ZINC000758900122 621809327 /nfs/dbraw/zinc/80/93/27/621809327.db2.gz POOWJLNNYRIMIM-UHFFFAOYSA-N -1 3 324.121 3.169 20 30 DGEDHM COc1cc2c(cc1/C=C/C(=O)c1ccc([O-])c(C)c1)OCO2 ZINC000758933026 621812494 /nfs/dbraw/zinc/81/24/94/621812494.db2.gz YQAUBIWZPSLXJL-GQCTYLIASA-N -1 3 312.321 3.334 20 30 DGEDHM N#CC(=C([O-])c1ccc(SC(F)F)cc1)c1ccncn1 ZINC000760360478 621935356 /nfs/dbraw/zinc/93/53/56/621935356.db2.gz ZJHYHMUXZQXTJY-NSHDSACASA-N -1 3 305.309 3.281 20 30 DGEDHM C[C@H](O)[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1ccccc1F ZINC000866383031 622107042 /nfs/dbraw/zinc/10/70/42/622107042.db2.gz COUOLJYSNFLJTO-PRXAMGSTSA-N -1 3 314.360 3.176 20 30 DGEDHM CC(=NOCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000764846183 622226027 /nfs/dbraw/zinc/22/60/27/622226027.db2.gz FASOEWHEYYAVPG-UHFFFAOYSA-N -1 3 312.085 3.458 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cccnc2Cl)c(OC)cc1[O-] ZINC000122482138 622334540 /nfs/dbraw/zinc/33/45/40/622334540.db2.gz KXVACULSANPOAT-AATRIKPKSA-N -1 3 319.744 3.354 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccccc2OC)c(OC)cc1[O-] ZINC000122524567 622344955 /nfs/dbraw/zinc/34/49/55/622344955.db2.gz SMQCBTJOUYSKTL-CMDGGOBGSA-N -1 3 314.337 3.314 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2sccc2[O-])o1 ZINC000769781065 622559163 /nfs/dbraw/zinc/55/91/63/622559163.db2.gz VNGBZRLLHXSAMF-UHFFFAOYSA-N 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/nfs/dbraw/zinc/42/42/96/623424296.db2.gz IKVOEPFZDDXJAN-HNNXBMFYSA-N -1 3 319.357 3.039 20 30 DGEDHM N#Cc1cccc(OCCCCC(=O)[N-]OC2CCCCC2)c1 ZINC000777960445 623590776 /nfs/dbraw/zinc/59/07/76/623590776.db2.gz WHORXXWJQQZVFE-UHFFFAOYSA-N -1 3 316.401 3.488 20 30 DGEDHM C#CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000126661221 623994725 /nfs/dbraw/zinc/99/47/25/623994725.db2.gz HTUQCQNWYPPOLE-UHFFFAOYSA-N -1 3 306.214 3.075 20 30 DGEDHM C#CCCCN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879468438 624559472 /nfs/dbraw/zinc/55/94/72/624559472.db2.gz SPXDWKRUTYCRQS-ZDUSSCGKSA-N -1 3 324.346 3.072 20 30 DGEDHM C#Cc1cccc(N(C)C(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000786889991 624962051 /nfs/dbraw/zinc/96/20/51/624962051.db2.gz TVVSJJQDBUKOGM-UHFFFAOYSA-N -1 3 311.356 3.498 20 30 DGEDHM O=C1[C@H](/N=C/c2cc(Cl)ccc2[O-])CCN1C1CCCCC1 ZINC000130130178 625817404 /nfs/dbraw/zinc/81/74/04/625817404.db2.gz LSRZMSRCSQAUDJ-SKCQWOFPSA-N -1 3 320.820 3.398 20 30 DGEDHM C#CCCCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000792486309 625948717 /nfs/dbraw/zinc/94/87/17/625948717.db2.gz LWSXWAOFVRCQTG-UHFFFAOYSA-N -1 3 308.341 3.350 20 30 DGEDHM C=CCC(C)(C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000796455607 626051726 /nfs/dbraw/zinc/05/17/26/626051726.db2.gz QFVPFMXOTDKIIV-UHFFFAOYSA-N -1 3 302.330 3.088 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCCSCc1ccccc1 ZINC000798234978 626203824 /nfs/dbraw/zinc/20/38/24/626203824.db2.gz XCTCUBPTCPTWQP-UHFFFAOYSA-N -1 3 307.444 3.195 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1C#N ZINC000799601224 626312303 /nfs/dbraw/zinc/31/23/03/626312303.db2.gz WPBMEDKXGPLQOG-AWEZNQCLSA-N -1 3 300.321 3.233 20 30 DGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@H]1CCCF ZINC000800811556 626376081 /nfs/dbraw/zinc/37/60/81/626376081.db2.gz ZCWNAASCPPWTOQ-AWEZNQCLSA-N -1 3 312.410 3.012 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cnc(C(C)(C)C)nc2)ccc1[O-] ZINC000806568423 626722134 /nfs/dbraw/zinc/72/21/34/626722134.db2.gz XFAXUZWKISAUON-ALCCZGGFSA-N -1 3 312.369 3.384 20 30 DGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cn2c(n1)CCCC2 ZINC000806566116 626722305 /nfs/dbraw/zinc/72/23/05/626722305.db2.gz YPMGEDSSOZJOQD-XQRVVYSFSA-N -1 3 304.296 3.099 20 30 DGEDHM CC(C)n1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)nn1 ZINC000806571777 626722599 /nfs/dbraw/zinc/72/25/99/626722599.db2.gz ZIXBARVSFIETRF-ISAHRAOESA-N -1 3 301.321 3.087 20 30 DGEDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(C#N)s1 ZINC000800145785 626813417 /nfs/dbraw/zinc/81/34/17/626813417.db2.gz OODMATUQJVNZSY-UHFFFAOYSA-N -1 3 305.290 3.228 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCCCCF ZINC000810910096 627064049 /nfs/dbraw/zinc/06/40/49/627064049.db2.gz WMOZVPIFYDTCQY-UHFFFAOYSA-N -1 3 322.380 3.281 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCC2(CCOCC2)CO1 ZINC000887268954 627239276 /nfs/dbraw/zinc/23/92/76/627239276.db2.gz ZAQXVWIMIKMDNS-RPJLVFAOSA-N -1 3 323.820 3.440 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCC2(CCOCC2)CO1 ZINC000887268953 627239283 /nfs/dbraw/zinc/23/92/83/627239283.db2.gz ZAQXVWIMIKMDNS-HNIBHBHRSA-N -1 3 323.820 3.440 20 30 DGEDHM C[C@@H](COc1ccccc1)NN=Cc1c(F)ccc([O-])c1F ZINC000811667502 627304152 /nfs/dbraw/zinc/30/41/52/627304152.db2.gz WUBYKIRESJXAIX-NSHDSACASA-N -1 3 306.312 3.061 20 30 DGEDHM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000811685510 627305490 /nfs/dbraw/zinc/30/54/90/627305490.db2.gz UZVOYRVOYNHHGO-UHFFFAOYSA-N -1 3 313.394 3.016 20 30 DGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)CCCC#N)nc(=O)c2c1C ZINC000812618303 627404610 /nfs/dbraw/zinc/40/46/10/627404610.db2.gz OVFIWYJHVATXTH-SECBINFHSA-N -1 3 319.386 3.312 20 30 DGEDHM C[C@@H](C#N)C[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817534244 627917138 /nfs/dbraw/zinc/91/71/38/627917138.db2.gz QMZBKKMJRGUHLE-ZETCQYMHSA-N -1 3 307.127 3.361 20 30 DGEDHM C#CCCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819693302 628180069 /nfs/dbraw/zinc/18/00/69/628180069.db2.gz POPBUIQLYKTBPH-UHFFFAOYSA-N -1 3 309.295 3.101 20 30 DGEDHM C#CCCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819693302 628180075 /nfs/dbraw/zinc/18/00/75/628180075.db2.gz POPBUIQLYKTBPH-UHFFFAOYSA-N -1 3 309.295 3.101 20 30 DGEDHM C=CCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734880 628184135 /nfs/dbraw/zinc/18/41/35/628184135.db2.gz WHMNEKOHOGMICF-CYBMUJFWSA-N -1 3 313.405 3.133 20 30 DGEDHM C=CCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734880 628184138 /nfs/dbraw/zinc/18/41/38/628184138.db2.gz WHMNEKOHOGMICF-CYBMUJFWSA-N -1 3 313.405 3.133 20 30 DGEDHM CC(=NNc1cc(C)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000819772225 628188544 /nfs/dbraw/zinc/18/85/44/628188544.db2.gz AXYGKVOCPULQAT-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM C[C@@H](Nc1ccc(F)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820456466 628260883 /nfs/dbraw/zinc/26/08/83/628260883.db2.gz UJTQBWAEULAQHF-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820456466 628260886 /nfs/dbraw/zinc/26/08/86/628260886.db2.gz UJTQBWAEULAQHF-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822224943 628430930 /nfs/dbraw/zinc/43/09/30/628430930.db2.gz GTZMSWLJSVNJMB-WAYWQWQTSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822224943 628430931 /nfs/dbraw/zinc/43/09/31/628430931.db2.gz GTZMSWLJSVNJMB-WAYWQWQTSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822274579 628434885 /nfs/dbraw/zinc/43/48/85/628434885.db2.gz BOSLCOKHOIDPDD-IZZDOVSWSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822274579 628434887 /nfs/dbraw/zinc/43/48/87/628434887.db2.gz BOSLCOKHOIDPDD-IZZDOVSWSA-N -1 3 308.366 3.059 20 30 DGEDHM N#Cc1ccc(NC(=O)CC2CCCCCC2)cc1-c1nnn[n-]1 ZINC000822830060 628499969 /nfs/dbraw/zinc/49/99/69/628499969.db2.gz TWAKZDUWEWEFSN-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1ccc(NC(=O)CC2CCCCCC2)cc1-c1nn[n-]n1 ZINC000822830060 628499971 /nfs/dbraw/zinc/49/99/71/628499971.db2.gz TWAKZDUWEWEFSN-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1cccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822837201 628500833 /nfs/dbraw/zinc/50/08/33/628500833.db2.gz JEKNGEPHISTKME-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822837201 628500835 /nfs/dbraw/zinc/50/08/35/628500835.db2.gz JEKNGEPHISTKME-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822837650 628500852 /nfs/dbraw/zinc/50/08/52/628500852.db2.gz QFWXTACKIWCRAJ-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1F ZINC000822922736 628509253 /nfs/dbraw/zinc/50/92/53/628509253.db2.gz IWUISHJDJVNEOJ-DJWKRKHSSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1Cl ZINC000822921990 628509314 /nfs/dbraw/zinc/50/93/14/628509314.db2.gz BMYAYXLVHLDAOZ-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1Cl ZINC000822921990 628509315 /nfs/dbraw/zinc/50/93/15/628509315.db2.gz BMYAYXLVHLDAOZ-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc(F)ccc1F ZINC000822922312 628509691 /nfs/dbraw/zinc/50/96/91/628509691.db2.gz FMGQVLZDRZYPPB-GORDUTHDSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)CCC2 ZINC000822929291 628510159 /nfs/dbraw/zinc/51/01/59/628510159.db2.gz RUYBYNZDQNIRTR-FPLPWBNLSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)CCC2 ZINC000822929291 628510165 /nfs/dbraw/zinc/51/01/65/628510165.db2.gz RUYBYNZDQNIRTR-FPLPWBNLSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823503123 628570212 /nfs/dbraw/zinc/57/02/12/628570212.db2.gz BRRJOIRXBURBGK-MDWZMJQESA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000823503123 628570213 /nfs/dbraw/zinc/57/02/13/628570213.db2.gz BRRJOIRXBURBGK-MDWZMJQESA-N -1 3 320.327 3.218 20 30 DGEDHM c1ccc([C@@H]2C[C@@H]2CN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823861481 628604201 /nfs/dbraw/zinc/60/42/01/628604201.db2.gz KELRKJKZXUFPOI-ZBFHGGJFSA-N -1 3 304.357 3.068 20 30 DGEDHM c1ccc([C@@H]2C[C@@H]2CN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823861481 628604204 /nfs/dbraw/zinc/60/42/04/628604204.db2.gz KELRKJKZXUFPOI-ZBFHGGJFSA-N -1 3 304.357 3.068 20 30 DGEDHM C=CCCC[C@@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000823894722 628607865 /nfs/dbraw/zinc/60/78/65/628607865.db2.gz WSQBBLBXVMAUSB-LLVKDONJSA-N -1 3 314.393 3.041 20 30 DGEDHM C=CCCC[C@@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000823894722 628607869 /nfs/dbraw/zinc/60/78/69/628607869.db2.gz WSQBBLBXVMAUSB-LLVKDONJSA-N -1 3 314.393 3.041 20 30 DGEDHM C=CCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823926026 628610308 /nfs/dbraw/zinc/61/03/08/628610308.db2.gz WHWARNKVVAUUEI-UHFFFAOYSA-N -1 3 322.324 3.002 20 30 DGEDHM C=CCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823926026 628610311 /nfs/dbraw/zinc/61/03/11/628610311.db2.gz WHWARNKVVAUUEI-UHFFFAOYSA-N -1 3 322.324 3.002 20 30 DGEDHM CC(=NN[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953823 628612864 /nfs/dbraw/zinc/61/28/64/628612864.db2.gz RMRCKAMXXARDGY-NSHDSACASA-N -1 3 324.363 3.081 20 30 DGEDHM CC(=NN[C@@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953823 628612866 /nfs/dbraw/zinc/61/28/66/628612866.db2.gz RMRCKAMXXARDGY-NSHDSACASA-N -1 3 324.363 3.081 20 30 DGEDHM CC(=NNc1ccc(F)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823958115 628613512 /nfs/dbraw/zinc/61/35/12/628613512.db2.gz COUMYDAPSXCOLJ-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1ccc(F)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823958115 628613513 /nfs/dbraw/zinc/61/35/13/628613513.db2.gz COUMYDAPSXCOLJ-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM C[C@@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000825503339 628769606 /nfs/dbraw/zinc/76/96/06/628769606.db2.gz QWBFSYOOWZQPMF-CQSZACIVSA-N -1 3 323.396 3.219 20 30 DGEDHM C=C(C)COCCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000825647603 628781767 /nfs/dbraw/zinc/78/17/67/628781767.db2.gz QZPBWTUHHKHLEL-ZDUSSCGKSA-N -1 3 318.200 3.301 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825704847 628787732 /nfs/dbraw/zinc/78/77/32/628787732.db2.gz OKCQSEUOCLEESN-JXMROGBWSA-N -1 3 322.343 3.464 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825704847 628787734 /nfs/dbraw/zinc/78/77/34/628787734.db2.gz OKCQSEUOCLEESN-JXMROGBWSA-N -1 3 322.343 3.464 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000825704085 628788177 /nfs/dbraw/zinc/78/81/77/628788177.db2.gz CQNSTQYBNQLLCB-CLFYSBASSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000825704085 628788192 /nfs/dbraw/zinc/78/81/92/628788192.db2.gz CQNSTQYBNQLLCB-CLFYSBASSA-N -1 3 310.382 3.387 20 30 DGEDHM Fc1ccc(CC=CN=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826374383 628848910 /nfs/dbraw/zinc/84/89/10/628848910.db2.gz XEUUVFFFMKSKSO-LQZWJWGFSA-N -1 3 308.320 3.117 20 30 DGEDHM Fc1ccc(CC=CN=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826374383 628848913 /nfs/dbraw/zinc/84/89/13/628848913.db2.gz XEUUVFFFMKSKSO-LQZWJWGFSA-N -1 3 308.320 3.117 20 30 DGEDHM Fc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826374386 628849240 /nfs/dbraw/zinc/84/92/40/628849240.db2.gz XHAXDJNIUBGTNU-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826374386 628849242 /nfs/dbraw/zinc/84/92/42/628849242.db2.gz XHAXDJNIUBGTNU-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#CCC[C@@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000826381781 628850607 /nfs/dbraw/zinc/85/06/07/628850607.db2.gz YYDGFHLNEJVFHO-CQSZACIVSA-N -1 3 324.413 3.063 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000826401427 628851131 /nfs/dbraw/zinc/85/11/31/628851131.db2.gz YFGXDTYAAWGCJN-FNORWQNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000826401427 628851134 /nfs/dbraw/zinc/85/11/34/628851134.db2.gz YFGXDTYAAWGCJN-FNORWQNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402953 628851157 /nfs/dbraw/zinc/85/11/57/628851157.db2.gz GQIWOKRDCDKFDQ-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402953 628851159 /nfs/dbraw/zinc/85/11/59/628851159.db2.gz GQIWOKRDCDKFDQ-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1c[nH]c2ccccc12 ZINC000826402220 628851178 /nfs/dbraw/zinc/85/11/78/628851178.db2.gz OZJMPJBDLRSSCW-KTKRTIGZSA-N -1 3 315.336 3.244 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1c[nH]c2ccccc12 ZINC000826402220 628851181 /nfs/dbraw/zinc/85/11/81/628851181.db2.gz OZJMPJBDLRSSCW-KTKRTIGZSA-N -1 3 315.336 3.244 20 30 DGEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400222 628851300 /nfs/dbraw/zinc/85/13/00/628851300.db2.gz SJPMBCBTHNYQCU-HSFFGMMNSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400222 628851303 /nfs/dbraw/zinc/85/13/03/628851303.db2.gz SJPMBCBTHNYQCU-HSFFGMMNSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826402158 628851519 /nfs/dbraw/zinc/85/15/19/628851519.db2.gz NWJYGHWCXZKAKZ-JXMROGBWSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826402158 628851520 /nfs/dbraw/zinc/85/15/20/628851520.db2.gz NWJYGHWCXZKAKZ-JXMROGBWSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826477005 628852525 /nfs/dbraw/zinc/85/25/25/628852525.db2.gz TUUOTBHZYVZCSU-GHXNOFRVSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826477005 628852526 /nfs/dbraw/zinc/85/25/26/628852526.db2.gz TUUOTBHZYVZCSU-GHXNOFRVSA-N -1 3 322.755 3.343 20 30 DGEDHM N#CC[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000826861854 628896411 /nfs/dbraw/zinc/89/64/11/628896411.db2.gz LQKGZZBPYKGKFU-LLVKDONJSA-N -1 3 309.207 3.280 20 30 DGEDHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829532642 629166988 /nfs/dbraw/zinc/16/69/88/629166988.db2.gz XTSDDVGAYKPJLR-GOSISDBHSA-N -1 3 324.380 3.263 20 30 DGEDHM C[C@@H](C(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F)C(F)(F)F ZINC000831106540 629338578 /nfs/dbraw/zinc/33/85/78/629338578.db2.gz MXFLDWSTMWTZQS-XVKPBYJWSA-N -1 3 324.224 3.476 20 30 DGEDHM C[C@@H](c1ccc(C#N)cc1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833548061 629619294 /nfs/dbraw/zinc/61/92/94/629619294.db2.gz ZZLIXLLUFBNZLV-AWEZNQCLSA-N -1 3 324.380 3.215 20 30 DGEDHM N#Cc1cccc(CN[C@@H]2CCc3cc(NC(=O)[O-])ccc32)c1 ZINC000833978467 629664602 /nfs/dbraw/zinc/66/46/02/629664602.db2.gz MAVOUWFXPNHIGF-QGZVFWFLSA-N -1 3 307.353 3.425 20 30 DGEDHM CCCON=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000842565943 630547661 /nfs/dbraw/zinc/54/76/61/630547661.db2.gz QRCWIDZYGGLIEH-UHFFFAOYSA-N -1 3 302.168 3.314 20 30 DGEDHM Cc1cccnc1C/N=C/c1cc(Br)ccc1[O-] ZINC000105356186 630701510 /nfs/dbraw/zinc/70/15/10/630701510.db2.gz XCBGPUBFKMRPOE-LZYBPNLTSA-N -1 3 305.175 3.477 20 30 DGEDHM N#CC(C(=O)C=CC1CC1)=C([O-])c1sccc1Br ZINC000845847174 631199058 /nfs/dbraw/zinc/19/90/58/631199058.db2.gz NBKAGIASBMPYSD-ZBJFTSOASA-N -1 3 324.199 3.368 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(Cl)cc1Br ZINC000846544564 631257983 /nfs/dbraw/zinc/25/79/83/631257983.db2.gz HGLKIJTYYWSHNM-MRVPVSSYSA-N -1 3 318.598 3.267 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccc(Br)s1 ZINC000846542411 631258271 /nfs/dbraw/zinc/25/82/71/631258271.db2.gz AZNLSZPUIBDUQT-SECBINFHSA-N -1 3 318.236 3.456 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccc(Cl)cc1Cl ZINC000846551044 631258735 /nfs/dbraw/zinc/25/87/35/631258735.db2.gz SJRGBWVCOURMFA-VIFPVBQESA-N -1 3 304.173 3.385 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(Br)cc1F ZINC000846552018 631259874 /nfs/dbraw/zinc/25/98/74/631259874.db2.gz ZCPAVKWPXMSUGZ-SECBINFHSA-N -1 3 316.170 3.143 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000846553552 631259938 /nfs/dbraw/zinc/25/99/38/631259938.db2.gz DFLWAYRPNNSULA-XJKSGUPXSA-N -1 3 305.418 3.420 20 30 DGEDHM CCC[C@@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1OC(C)C ZINC000846937145 631359290 /nfs/dbraw/zinc/35/92/90/631359290.db2.gz HPKNEZMYWWTRFM-LBPRGKRZSA-N -1 3 310.344 3.374 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1COC2(CCC2)C1 ZINC000849172194 631852464 /nfs/dbraw/zinc/85/24/64/631852464.db2.gz NYNJWXILMUHZCN-LUMBYOQCSA-N -1 3 310.191 3.285 20 30 DGEDHM C[C@H](NCC1(C#N)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850552230 632190013 /nfs/dbraw/zinc/19/00/13/632190013.db2.gz YOHTVQNBPPPDOV-LBPRGKRZSA-N -1 3 303.362 3.425 20 30 DGEDHM C[C@@H](C#N)CNCc1cc(Cl)cc(Br)c1[O-] ZINC000708156937 660918502 /nfs/dbraw/zinc/91/85/02/660918502.db2.gz KQPVGUBGAPKVOT-ZETCQYMHSA-N -1 3 303.587 3.057 20 30 DGEDHM COC(=O)c1cc(NN=Cc2c(F)ccc([O-])c2F)ccc1C ZINC000793098807 661004913 /nfs/dbraw/zinc/00/49/13/661004913.db2.gz WFUGTJIPMCELBH-UHFFFAOYSA-N -1 3 320.295 3.211 20 30 DGEDHM CC[C@@H](C)CON=C(C)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000793145054 661007323 /nfs/dbraw/zinc/00/73/23/661007323.db2.gz HIDLJLJUFDZUTJ-CQSZACIVSA-N -1 3 320.433 3.011 20 30 DGEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(C)c1 ZINC000794902418 661112775 /nfs/dbraw/zinc/11/27/75/661112775.db2.gz XVGNYAKSCWUMQZ-UHFFFAOYSA-N -1 3 316.426 3.229 20 30 DGEDHM O=c1[n-]c(N=NC2CCC[C@H]2c2ccccn2)nc2ccccc21 ZINC000794918764 661113213 /nfs/dbraw/zinc/11/32/13/661113213.db2.gz KLNUTWVPXWMAAT-LBPRGKRZSA-N -1 3 319.368 3.466 20 30 DGEDHM COc1ccc2c(c1)O/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794941288 661115252 /nfs/dbraw/zinc/11/52/52/661115252.db2.gz NDNMIKJSFNZIBU-AUWJEWJLSA-N -1 3 304.248 3.295 20 30 DGEDHM COc1cccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000255565397 655802517 /nfs/dbraw/zinc/80/25/17/655802517.db2.gz LGXDJIXMEGLTHK-FPLPWBNLSA-N -1 3 314.337 3.314 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCC(Cl)(Cl)Cl)c1 ZINC000811186284 661231353 /nfs/dbraw/zinc/23/13/53/661231353.db2.gz JLFZLJKBSGPIBF-UHFFFAOYSA-N -1 3 308.548 3.181 20 30 DGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSc1ccccc1 ZINC000195282219 656248116 /nfs/dbraw/zinc/24/81/16/656248116.db2.gz WMQGTOXTVBTICZ-MARXPDLDSA-N -1 3 323.377 3.035 20 30 DGEDHM Cc1cc(C)n(N=Cc2c([O-])ccc3ccccc32)c(=O)c1C#N ZINC000254792041 658179774 /nfs/dbraw/zinc/17/97/74/658179774.db2.gz MTYIMCIVPKLZKO-UHFFFAOYSA-N -1 3 317.348 3.078 20 30 DGEDHM CC(C)OCCC/N=C/c1cc(Br)ccc1[O-] ZINC000060803492 659203874 /nfs/dbraw/zinc/20/38/74/659203874.db2.gz WIOBQVULHOTPTH-OQLLNIDSSA-N -1 3 300.196 3.389 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC1CCCCCC1 ZINC000060944240 659218479 /nfs/dbraw/zinc/21/84/79/659218479.db2.gz NOOZDRBCGGMAJS-UHFFFAOYSA-N -1 3 316.401 3.062 20 30 DGEDHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCN1c1ccccc1 ZINC000068042036 659936499 /nfs/dbraw/zinc/93/64/99/659936499.db2.gz KPRPRIYSQJPHQW-BKQORJHRSA-N -1 3 314.772 3.270 20 30 DGEDHM COc1cnc([C@H]2CCCN2CCCCC(C)(C)C#N)[n-]c1=O ZINC000934274074 661692552 /nfs/dbraw/zinc/69/25/52/661692552.db2.gz QVOSTOUWDQXFAD-CYBMUJFWSA-N -1 3 318.421 3.048 20 30 DGEDHM CCc1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c([O-])c1 ZINC000189386996 661977130 /nfs/dbraw/zinc/97/71/30/661977130.db2.gz NNPNTRLSEFHVEN-GFCCVEGCSA-N -1 3 310.353 3.498 20 30 DGEDHM N#CCCc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001581857542 1192079698 /nfs/dbraw/zinc/07/96/98/1192079698.db2.gz CAJFRHATFKXWON-UHFFFAOYSA-N -1 3 322.347 3.074 20 30 DGEDHM N#CCCc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001581857542 1192079700 /nfs/dbraw/zinc/07/97/00/1192079700.db2.gz CAJFRHATFKXWON-UHFFFAOYSA-N -1 3 322.347 3.074 20 30 DGEDHM C#CCC1(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCCCC1 ZINC001588335028 1192445092 /nfs/dbraw/zinc/44/50/92/1192445092.db2.gz UUPAPJRVLUIDSL-UHFFFAOYSA-N -1 3 323.400 3.087 20 30 DGEDHM C#CCC1(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCCCC1 ZINC001588335028 1192445094 /nfs/dbraw/zinc/44/50/94/1192445094.db2.gz UUPAPJRVLUIDSL-UHFFFAOYSA-N -1 3 323.400 3.087 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588406336 1192445887 /nfs/dbraw/zinc/44/58/87/1192445887.db2.gz TXWGVNORHLUKET-NEPJUHHUSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588406336 1192445891 /nfs/dbraw/zinc/44/58/91/1192445891.db2.gz TXWGVNORHLUKET-NEPJUHHUSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)CNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588428805 1192447361 /nfs/dbraw/zinc/44/73/61/1192447361.db2.gz CDJIUCLFPOCBSR-UHFFFAOYSA-N -1 3 321.384 3.434 20 30 DGEDHM C=C(C)CNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588428805 1192447363 /nfs/dbraw/zinc/44/73/63/1192447363.db2.gz CDJIUCLFPOCBSR-UHFFFAOYSA-N -1 3 321.384 3.434 20 30 DGEDHM C=C(C)CN(C)c1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001588425714 1192447700 /nfs/dbraw/zinc/44/77/00/1192447700.db2.gz QAVXGAWXUPMEBX-UHFFFAOYSA-N -1 3 315.274 3.037 20 30 DGEDHM C=C(C)CN(C)c1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001588425714 1192447704 /nfs/dbraw/zinc/44/77/04/1192447704.db2.gz QAVXGAWXUPMEBX-UHFFFAOYSA-N -1 3 315.274 3.037 20 30 DGEDHM C=C1CCC(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001588462063 1192447748 /nfs/dbraw/zinc/44/77/48/1192447748.db2.gz BZRKGCFKSNOCJA-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=C1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001588462063 1192447750 /nfs/dbraw/zinc/44/77/50/1192447750.db2.gz BZRKGCFKSNOCJA-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001588526185 1192448275 /nfs/dbraw/zinc/44/82/75/1192448275.db2.gz RIDCNADVFRFMDL-PLSXKVAHSA-N -1 3 312.373 3.024 20 30 DGEDHM C=C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001588526185 1192448279 /nfs/dbraw/zinc/44/82/79/1192448279.db2.gz RIDCNADVFRFMDL-PLSXKVAHSA-N -1 3 312.373 3.024 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588487304 1192448583 /nfs/dbraw/zinc/44/85/83/1192448583.db2.gz QAXGDIDOTHPZPV-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588487304 1192448590 /nfs/dbraw/zinc/44/85/90/1192448590.db2.gz QAXGDIDOTHPZPV-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=CC1CCN(c2cc(-c3nnn[n-]3)ccc2C(F)(F)F)CC1 ZINC001588530802 1192448721 /nfs/dbraw/zinc/44/87/21/1192448721.db2.gz SOSOXWDDENZLEV-UHFFFAOYSA-N -1 3 323.322 3.288 20 30 DGEDHM C=CC1CCN(c2cc(-c3nn[n-]n3)ccc2C(F)(F)F)CC1 ZINC001588530802 1192448722 /nfs/dbraw/zinc/44/87/22/1192448722.db2.gz SOSOXWDDENZLEV-UHFFFAOYSA-N -1 3 323.322 3.288 20 30 DGEDHM C=CCCCCCSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC001588595974 1192451147 /nfs/dbraw/zinc/45/11/47/1192451147.db2.gz CGWRXCYUQWHLQL-UHFFFAOYSA-N -1 3 304.423 3.112 20 30 DGEDHM C=CCCCCCSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001588595974 1192451158 /nfs/dbraw/zinc/45/11/58/1192451158.db2.gz CGWRXCYUQWHLQL-UHFFFAOYSA-N -1 3 304.423 3.112 20 30 DGEDHM C=CCC[C@H]1CCCN1c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588582044 1192451493 /nfs/dbraw/zinc/45/14/93/1192451493.db2.gz FTAVSZRVXZVYET-LBPRGKRZSA-N -1 3 301.369 3.249 20 30 DGEDHM C=CCC[C@H]1CCCN1c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588582044 1192451495 /nfs/dbraw/zinc/45/14/95/1192451495.db2.gz FTAVSZRVXZVYET-LBPRGKRZSA-N -1 3 301.369 3.249 20 30 DGEDHM CC(=NNc1cc(C)ccc1F)c1ccccc1-c1nnn[n-]1 ZINC001588777411 1192453948 /nfs/dbraw/zinc/45/39/48/1192453948.db2.gz UASRXGOUHJSMGA-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1cc(C)ccc1F)c1ccccc1-c1nn[n-]n1 ZINC001588777411 1192453951 /nfs/dbraw/zinc/45/39/51/1192453951.db2.gz UASRXGOUHJSMGA-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(C)C1(C)CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001589490041 1192466405 /nfs/dbraw/zinc/46/64/05/1192466405.db2.gz GIPFGTFKLKRFLG-UHFFFAOYSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)C1(C)CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001589490041 1192466407 /nfs/dbraw/zinc/46/64/07/1192466407.db2.gz GIPFGTFKLKRFLG-UHFFFAOYSA-N -1 3 310.405 3.001 20 30 DGEDHM C[C@H](Nc1cccc(CC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589984210 1192481258 /nfs/dbraw/zinc/48/12/58/1192481258.db2.gz KQZDUYBANLWIIC-LBPRGKRZSA-N -1 3 304.357 3.106 20 30 DGEDHM C[C@H](Nc1cccc(CC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589984210 1192481259 /nfs/dbraw/zinc/48/12/59/1192481259.db2.gz KQZDUYBANLWIIC-LBPRGKRZSA-N -1 3 304.357 3.106 20 30 DGEDHM C[C@H]1CC(CNc2c(C#N)cccc2-c2nnn[n-]2)C[C@H](C)C1 ZINC001590188128 1192492103 /nfs/dbraw/zinc/49/21/03/1192492103.db2.gz QSQPHWKFPTVHSQ-VXGBXAGGSA-N -1 3 310.405 3.223 20 30 DGEDHM C[C@H]1CC(CNc2c(C#N)cccc2-c2nn[n-]n2)C[C@H](C)C1 ZINC001590188128 1192492107 /nfs/dbraw/zinc/49/21/07/1192492107.db2.gz QSQPHWKFPTVHSQ-VXGBXAGGSA-N -1 3 310.405 3.223 20 30 DGEDHM CCCCCCCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590592424 1192528979 /nfs/dbraw/zinc/52/89/79/1192528979.db2.gz QYXVAPWHWJRFPB-UHFFFAOYSA-N -1 3 322.434 3.001 20 30 DGEDHM CCCCCCCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590592424 1192528981 /nfs/dbraw/zinc/52/89/81/1192528981.db2.gz QYXVAPWHWJRFPB-UHFFFAOYSA-N -1 3 322.434 3.001 20 30 DGEDHM CCc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC001590887426 1192553978 /nfs/dbraw/zinc/55/39/78/1192553978.db2.gz ZRMDWALJWOZYHZ-UHFFFAOYSA-N -1 3 312.402 3.327 20 30 DGEDHM CCc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC001590887426 1192553981 /nfs/dbraw/zinc/55/39/81/1192553981.db2.gz ZRMDWALJWOZYHZ-UHFFFAOYSA-N -1 3 312.402 3.327 20 30 DGEDHM COc1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)ccc1C ZINC001591523159 1192566104 /nfs/dbraw/zinc/56/61/04/1192566104.db2.gz PVBMILJWHFGOQG-KTKRTIGZSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)ccc1C ZINC001591523159 1192566105 /nfs/dbraw/zinc/56/61/05/1192566105.db2.gz PVBMILJWHFGOQG-KTKRTIGZSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(C#N)c(F)c1 ZINC001591851701 1192576434 /nfs/dbraw/zinc/57/64/34/1192576434.db2.gz ZVBAATFTMYTFFF-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccccc2C#N)n1 ZINC001591944696 1192581109 /nfs/dbraw/zinc/58/11/09/1192581109.db2.gz SHWKZVVRZILNNV-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccccc2C#N)n1 ZINC001591944696 1192581113 /nfs/dbraw/zinc/58/11/13/1192581113.db2.gz SHWKZVVRZILNNV-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(F)ccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591992774 1192588467 /nfs/dbraw/zinc/58/84/67/1192588467.db2.gz WBEWVBMITQBHAO-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(F)ccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591992774 1192588469 /nfs/dbraw/zinc/58/84/69/1192588469.db2.gz WBEWVBMITQBHAO-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(Sc2c(C#N)cccc2-c2nnn[n-]2)ccc1C#N ZINC001592068039 1192592481 /nfs/dbraw/zinc/59/24/81/1192592481.db2.gz NDISLFZQABVHRC-UHFFFAOYSA-N -1 3 318.365 3.070 20 30 DGEDHM Cc1cc(Sc2c(C#N)cccc2-c2nn[n-]n2)ccc1C#N ZINC001592068039 1192592482 /nfs/dbraw/zinc/59/24/82/1192592482.db2.gz NDISLFZQABVHRC-UHFFFAOYSA-N -1 3 318.365 3.070 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccccc1-c1nnn[n-]1 ZINC001592791288 1192627417 /nfs/dbraw/zinc/62/74/17/1192627417.db2.gz HOEGKFNNMQIFGA-WAYWQWQTSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccccc1-c1nn[n-]n1 ZINC001592791288 1192627422 /nfs/dbraw/zinc/62/74/22/1192627422.db2.gz HOEGKFNNMQIFGA-WAYWQWQTSA-N -1 3 312.279 3.041 20 30 DGEDHM N#CCCC[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC001592675151 1192626264 /nfs/dbraw/zinc/62/62/64/1192626264.db2.gz SEVMARBFLAFYHD-HNNXBMFYSA-N -1 3 319.372 3.109 20 30 DGEDHM N#CCCC[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC001592675151 1192626266 /nfs/dbraw/zinc/62/62/66/1192626266.db2.gz SEVMARBFLAFYHD-HNNXBMFYSA-N -1 3 319.372 3.109 20 30 DGEDHM N#CC1(CSCc2ccc(Cl)cc2-c2nnn[n-]2)CCC1 ZINC001592670630 1192626285 /nfs/dbraw/zinc/62/62/85/1192626285.db2.gz IRQBTWYBUHNCRR-UHFFFAOYSA-N -1 3 319.821 3.447 20 30 DGEDHM N#CC1(CSCc2ccc(Cl)cc2-c2nn[n-]n2)CCC1 ZINC001592670630 1192626288 /nfs/dbraw/zinc/62/62/88/1192626288.db2.gz IRQBTWYBUHNCRR-UHFFFAOYSA-N -1 3 319.821 3.447 20 30 DGEDHM N#CC1CCC(COc2cc(Cl)cc(-c3nnn[n-]3)c2)CC1 ZINC001592673601 1192626679 /nfs/dbraw/zinc/62/66/79/1192626679.db2.gz ZVMQQRPGMZKNHF-UHFFFAOYSA-N -1 3 317.780 3.229 20 30 DGEDHM N#CC1CCC(COc2cc(Cl)cc(-c3nn[n-]n3)c2)CC1 ZINC001592673601 1192626681 /nfs/dbraw/zinc/62/66/81/1192626681.db2.gz ZVMQQRPGMZKNHF-UHFFFAOYSA-N -1 3 317.780 3.229 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccccc1-c1nnn[n-]1 ZINC001592791286 1192627186 /nfs/dbraw/zinc/62/71/86/1192627186.db2.gz HOEGKFNNMQIFGA-AATRIKPKSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccccc1-c1nn[n-]n1 ZINC001592791286 1192627191 /nfs/dbraw/zinc/62/71/91/1192627191.db2.gz HOEGKFNNMQIFGA-AATRIKPKSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1ccc(Cl)cc1 ZINC001593376484 1192630384 /nfs/dbraw/zinc/63/03/84/1192630384.db2.gz PQJXRWSRTNIDIV-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1ccc(Cl)cc1 ZINC001593376484 1192630386 /nfs/dbraw/zinc/63/03/86/1192630386.db2.gz PQJXRWSRTNIDIV-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM c1cc(N=NC2CCC(=C3CCC3)CC2)ncc1-c1nnn[n-]1 ZINC001593560837 1192633026 /nfs/dbraw/zinc/63/30/26/1192633026.db2.gz IPVOJCYIZGOEKT-UHFFFAOYSA-N -1 3 309.377 3.084 20 30 DGEDHM c1cc(N=NC2CCC(=C3CCC3)CC2)ncc1-c1nn[n-]n1 ZINC001593560837 1192633027 /nfs/dbraw/zinc/63/30/27/1192633027.db2.gz IPVOJCYIZGOEKT-UHFFFAOYSA-N -1 3 309.377 3.084 20 30 DGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccc3)cc2)c1 ZINC001259117441 1178082139 /nfs/dbraw/zinc/08/21/39/1178082139.db2.gz RKLNSWWMUDIORK-UHFFFAOYSA-N -1 3 323.377 3.150 20 30 DGEDHM CCn1nc(C(C)C)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001332028100 1178339527 /nfs/dbraw/zinc/33/95/27/1178339527.db2.gz BBSJVKIDBZGBSS-UHFFFAOYSA-N -1 3 305.353 3.197 20 30 DGEDHM N#CC(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc2ccccc2n1 ZINC001601047110 1192913600 /nfs/dbraw/zinc/91/36/00/1192913600.db2.gz JFVRCTKOUDGUAL-RRFJBIMHSA-N -1 3 322.364 3.302 20 30 DGEDHM N#CCCCNCc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001601065138 1192915959 /nfs/dbraw/zinc/91/59/59/1192915959.db2.gz CZTLUNZSYUNQHI-UHFFFAOYSA-N -1 3 324.380 3.357 20 30 DGEDHM N#Cc1cc(Cl)ccc1CN(C1CC1)C1(C(=O)[O-])CCC1 ZINC001601086889 1192916929 /nfs/dbraw/zinc/91/69/29/1192916929.db2.gz MTGUNADKYWYMSN-UHFFFAOYSA-N -1 3 304.777 3.183 20 30 DGEDHM N#Cc1ccc([C@@H](N[C@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC001601096491 1192917958 /nfs/dbraw/zinc/91/79/58/1192917958.db2.gz GGFBVVAXGZXZRF-GOEBONIOSA-N -1 3 312.394 3.413 20 30 DGEDHM C=CCCC[C@@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001341804033 1179063659 /nfs/dbraw/zinc/06/36/59/1179063659.db2.gz AMCHLMUDRSSUNG-LLVKDONJSA-N -1 3 303.189 3.321 20 30 DGEDHM CC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc(F)cc1 ZINC001342195579 1179116097 /nfs/dbraw/zinc/11/60/97/1179116097.db2.gz ROULTCOACYEHAP-AWEZNQCLSA-N -1 3 318.373 3.016 20 30 DGEDHM Cc1cccc(C([O-])=C(C#N)c2nccn2C)c1C(F)(F)F ZINC001342270200 1179125596 /nfs/dbraw/zinc/12/55/96/1179125596.db2.gz XOGMJJNVKKHFAN-LLVKDONJSA-N -1 3 307.275 3.237 20 30 DGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc2c(o1)CCCC2 ZINC001342717205 1179177836 /nfs/dbraw/zinc/17/78/36/1179177836.db2.gz LKPXGUFBICULKM-AWEZNQCLSA-N -1 3 308.337 3.120 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cnn(C3CCCCC3)c2)nc(C)n1 ZINC001343442988 1179276772 /nfs/dbraw/zinc/27/67/72/1179276772.db2.gz OSSQMGLHFZHIKY-MRXNPFEDSA-N -1 3 323.400 3.285 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccsc1C(F)(F)F ZINC001344322023 1179412807 /nfs/dbraw/zinc/41/28/07/1179412807.db2.gz GJZDGQJGEBUTOU-SECBINFHSA-N -1 3 313.304 3.473 20 30 DGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C(F)=C1CCC1 ZINC001346109521 1179655092 /nfs/dbraw/zinc/65/50/92/1179655092.db2.gz FGQJYCSHJDRIQS-JTQLQIEISA-N -1 3 306.724 3.395 20 30 DGEDHM C#CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)c(C)c2)CCCCC1 ZINC001602698932 1192994935 /nfs/dbraw/zinc/99/49/35/1192994935.db2.gz ARIWHZKIDNBTMV-UHFFFAOYSA-N -1 3 324.384 3.054 20 30 DGEDHM C#CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)c(C)c2)CCCCC1 ZINC001602698932 1192994937 /nfs/dbraw/zinc/99/49/37/1192994937.db2.gz ARIWHZKIDNBTMV-UHFFFAOYSA-N -1 3 324.384 3.054 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602752392 1192996179 /nfs/dbraw/zinc/99/61/79/1192996179.db2.gz BYKHVOHZEMTSEZ-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602752392 1192996180 /nfs/dbraw/zinc/99/61/80/1192996180.db2.gz BYKHVOHZEMTSEZ-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)CCc1noc([C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001602758485 1192996823 /nfs/dbraw/zinc/99/68/23/1192996823.db2.gz JGUNNRPMERRVJU-GFCCVEGCSA-N -1 3 324.388 3.105 20 30 DGEDHM C=C(C)CCc1noc([C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001602758485 1192996827 /nfs/dbraw/zinc/99/68/27/1192996827.db2.gz JGUNNRPMERRVJU-GFCCVEGCSA-N -1 3 324.388 3.105 20 30 DGEDHM C=C(C)CCNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC001602758438 1192996972 /nfs/dbraw/zinc/99/69/72/1192996972.db2.gz ICHHLAIBKOYFDB-UHFFFAOYSA-N -1 3 322.372 3.432 20 30 DGEDHM C=CCCCCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001602838462 1192999389 /nfs/dbraw/zinc/99/93/89/1192999389.db2.gz YIZPSWZMSRVHAA-UHFFFAOYSA-N -1 3 316.365 3.323 20 30 DGEDHM C=CCCCCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001602838462 1192999392 /nfs/dbraw/zinc/99/93/92/1192999392.db2.gz YIZPSWZMSRVHAA-UHFFFAOYSA-N -1 3 316.365 3.323 20 30 DGEDHM C=CCCCCCOC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001602837617 1192999425 /nfs/dbraw/zinc/99/94/25/1192999425.db2.gz AQADYQYVHVJRQC-UHFFFAOYSA-N -1 3 314.389 3.089 20 30 DGEDHM C=CCCCCCOC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001602837617 1192999429 /nfs/dbraw/zinc/99/94/29/1192999429.db2.gz AQADYQYVHVJRQC-UHFFFAOYSA-N -1 3 314.389 3.089 20 30 DGEDHM C=CCC[C@H](Nc1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001602833606 1192999810 /nfs/dbraw/zinc/99/98/10/1192999810.db2.gz RTSLWYFSPSJZQU-HNNXBMFYSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCC[C@H](Nc1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001602833606 1192999814 /nfs/dbraw/zinc/99/98/14/1192999814.db2.gz RTSLWYFSPSJZQU-HNNXBMFYSA-N -1 3 306.373 3.381 20 30 DGEDHM COc1cnc(F)c(C(=O)[N-]c2sc(C)c(C)c2C#N)c1 ZINC001351234639 1180189187 /nfs/dbraw/zinc/18/91/87/1180189187.db2.gz ACGXSHYWUJBBHQ-UHFFFAOYSA-N -1 3 305.334 3.032 20 30 DGEDHM CN(C)c1nc(Cl)c(C(=O)[N-]c2sccc2C#N)s1 ZINC001351861600 1180257744 /nfs/dbraw/zinc/25/77/44/1180257744.db2.gz XIZJMMNNWYYSNV-UHFFFAOYSA-N -1 3 312.807 3.048 20 30 DGEDHM CC(C)Oc1ccccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001603374498 1193016915 /nfs/dbraw/zinc/01/69/15/1193016915.db2.gz SGKGAEGIUSOIDM-UHFFFAOYSA-N -1 3 322.372 3.100 20 30 DGEDHM CC1(C)CCCC(=Cc2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001603774333 1193030745 /nfs/dbraw/zinc/03/07/45/1193030745.db2.gz OLBQWKJGIOXEFS-LUAWRHEFSA-N -1 3 300.337 3.168 20 30 DGEDHM CC1(C)CCCC(=Cc2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001603774333 1193030747 /nfs/dbraw/zinc/03/07/47/1193030747.db2.gz OLBQWKJGIOXEFS-LUAWRHEFSA-N -1 3 300.337 3.168 20 30 DGEDHM CC[C@@H]1CCCC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604099125 1193051026 /nfs/dbraw/zinc/05/10/26/1193051026.db2.gz GQDNAXSSTAAFSI-OCCSQVGLSA-N -1 3 310.405 3.367 20 30 DGEDHM CC[C@@H]1CCCC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604099125 1193051028 /nfs/dbraw/zinc/05/10/28/1193051028.db2.gz GQDNAXSSTAAFSI-OCCSQVGLSA-N -1 3 310.405 3.367 20 30 DGEDHM C[C@@H](CN(Cc1csc(C#N)c1)Cc1ccccc1)C(=O)[O-] ZINC001604166228 1193057462 /nfs/dbraw/zinc/05/74/62/1193057462.db2.gz XZRJOLLESLQJCW-ZDUSSCGKSA-N -1 3 314.410 3.343 20 30 DGEDHM CCCCCCCNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604175958 1193057549 /nfs/dbraw/zinc/05/75/49/1193057549.db2.gz GAHFQQYBCMIBTH-UHFFFAOYSA-N -1 3 318.381 3.466 20 30 DGEDHM CCCCCCCNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604175958 1193057551 /nfs/dbraw/zinc/05/75/51/1193057551.db2.gz GAHFQQYBCMIBTH-UHFFFAOYSA-N -1 3 318.381 3.466 20 30 DGEDHM CCCCCCCCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001604176684 1193058589 /nfs/dbraw/zinc/05/85/89/1193058589.db2.gz WZILTEDWKMIPEZ-UHFFFAOYSA-N -1 3 315.421 3.234 20 30 DGEDHM CCCCCCCCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001604176684 1193058592 /nfs/dbraw/zinc/05/85/92/1193058592.db2.gz WZILTEDWKMIPEZ-UHFFFAOYSA-N -1 3 315.421 3.234 20 30 DGEDHM CCCCCCCCC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001604176852 1193059228 /nfs/dbraw/zinc/05/92/28/1193059228.db2.gz ZCXLXITYYRTJSM-UHFFFAOYSA-N -1 3 321.450 3.295 20 30 DGEDHM CCc1ccccc1NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001604534516 1193080629 /nfs/dbraw/zinc/08/06/29/1193080629.db2.gz HUIUPHPSURWZKX-UHFFFAOYSA-N -1 3 318.384 3.192 20 30 DGEDHM CCc1ccccc1NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001604534516 1193080636 /nfs/dbraw/zinc/08/06/36/1193080636.db2.gz HUIUPHPSURWZKX-UHFFFAOYSA-N -1 3 318.384 3.192 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001439999917 1182024486 /nfs/dbraw/zinc/02/44/86/1182024486.db2.gz WGIHWLDRXDWAFD-UHFFFAOYSA-N -1 3 315.373 3.280 20 30 DGEDHM Cc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1F ZINC001605652310 1193161382 /nfs/dbraw/zinc/16/13/82/1193161382.db2.gz IFDKCONYHZKMLD-VGOFMYFVSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1F ZINC001605652310 1193161383 /nfs/dbraw/zinc/16/13/83/1193161383.db2.gz IFDKCONYHZKMLD-VGOFMYFVSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc(Cl)cc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001605860915 1193180737 /nfs/dbraw/zinc/18/07/37/1193180737.db2.gz FBTDBWWWZHJKEM-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1ccc(Cl)cc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001605860915 1193180739 /nfs/dbraw/zinc/18/07/39/1193180739.db2.gz FBTDBWWWZHJKEM-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM CN(Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1cccc(C#N)c1 ZINC001606165723 1193192887 /nfs/dbraw/zinc/19/28/87/1193192887.db2.gz GFYOBBPZCKFIFB-UHFFFAOYSA-N -1 3 319.364 3.370 20 30 DGEDHM Clc1cc(N=NC2CC[C@@H]2C2CCC2)ccc1-c1nnn[n-]1 ZINC001606189276 1193194535 /nfs/dbraw/zinc/19/45/35/1193194535.db2.gz XWROEODVRUKZOR-LLVKDONJSA-N -1 3 316.796 3.498 20 30 DGEDHM Clc1cc(N=NC2CC[C@@H]2C2CCC2)ccc1-c1nn[n-]n1 ZINC001606189276 1193194537 /nfs/dbraw/zinc/19/45/37/1193194537.db2.gz XWROEODVRUKZOR-LLVKDONJSA-N -1 3 316.796 3.498 20 30 DGEDHM N#CC1(CCN2CCc3ccc(-c4nnn[n-]4)cc32)CCCCC1 ZINC001606344127 1193198735 /nfs/dbraw/zinc/19/87/35/1193198735.db2.gz YHTOPFWVWJFIOZ-UHFFFAOYSA-N -1 3 322.416 3.093 20 30 DGEDHM N#CC1(CCN2CCc3ccc(-c4nn[n-]n4)cc32)CCCCC1 ZINC001606344127 1193198737 /nfs/dbraw/zinc/19/87/37/1193198737.db2.gz YHTOPFWVWJFIOZ-UHFFFAOYSA-N -1 3 322.416 3.093 20 30 DGEDHM N#CC1(CSc2c(Cl)cccc2-c2nnn[n-]2)CCC1 ZINC001606343644 1193199364 /nfs/dbraw/zinc/19/93/64/1193199364.db2.gz QIAGUKCGZZKHNJ-UHFFFAOYSA-N -1 3 305.794 3.306 20 30 DGEDHM N#CC1(CSc2c(Cl)cccc2-c2nn[n-]n2)CCC1 ZINC001606343644 1193199365 /nfs/dbraw/zinc/19/93/65/1193199365.db2.gz QIAGUKCGZZKHNJ-UHFFFAOYSA-N -1 3 305.794 3.306 20 30 DGEDHM O=C(C=Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001606481873 1193199625 /nfs/dbraw/zinc/19/96/25/1193199625.db2.gz FQXHMVWYJUAHKA-TWGQIWQCSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001606481873 1193199627 /nfs/dbraw/zinc/19/96/27/1193199627.db2.gz FQXHMVWYJUAHKA-TWGQIWQCSA-N -1 3 310.744 3.416 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCC2(CCCC2)CC1 ZINC001606381646 1193199845 /nfs/dbraw/zinc/19/98/45/1193199845.db2.gz QIYUDRFUIYEOBK-UHFFFAOYSA-N -1 3 322.416 3.289 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCC2(CCCC2)CC1 ZINC001606381646 1193199848 /nfs/dbraw/zinc/19/98/48/1193199848.db2.gz QIYUDRFUIYEOBK-UHFFFAOYSA-N -1 3 322.416 3.289 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CCCCC1 ZINC001606482046 1193199877 /nfs/dbraw/zinc/19/98/77/1193199877.db2.gz IHASBVNBYDBHHZ-CLFYSBASSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CCCCC1 ZINC001606482046 1193199881 /nfs/dbraw/zinc/19/98/81/1193199881.db2.gz IHASBVNBYDBHHZ-CLFYSBASSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC001606482357 1193200243 /nfs/dbraw/zinc/20/02/43/1193200243.db2.gz RVFKFGYYJOUAAB-CMDGGOBGSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC001606482357 1193200246 /nfs/dbraw/zinc/20/02/46/1193200246.db2.gz RVFKFGYYJOUAAB-CMDGGOBGSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001606482927 1193200419 /nfs/dbraw/zinc/20/04/19/1193200419.db2.gz SMTDQMZHHKJGHB-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001606482927 1193200421 /nfs/dbraw/zinc/20/04/21/1193200421.db2.gz SMTDQMZHHKJGHB-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1C#N ZINC001607258231 1193220625 /nfs/dbraw/zinc/22/06/25/1193220625.db2.gz DNKQJWCOXAJVBM-SFHVURJKSA-N -1 3 324.380 3.099 20 30 DGEDHM COCCC1(C(=O)N([O-])CCCCc2ccccc2)CCC1 ZINC001472619543 1183656516 /nfs/dbraw/zinc/65/65/16/1183656516.db2.gz PVDYKMCRXFXRDY-UHFFFAOYSA-N -1 3 305.418 3.434 20 30 DGEDHM O=C(c1ccc2cc[nH]c2n1)N([O-])CCCCc1ccccc1 ZINC001472619339 1183657105 /nfs/dbraw/zinc/65/71/05/1183657105.db2.gz IHGFXOFJOZGWMQ-UHFFFAOYSA-N -1 3 309.369 3.417 20 30 DGEDHM CCCCN([O-])C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC001472620710 1183657114 /nfs/dbraw/zinc/65/71/14/1183657114.db2.gz NFWOFUVDFKCOGE-UHFFFAOYSA-N -1 3 316.405 3.331 20 30 DGEDHM O=C(c1ccc2oc(=O)[nH]c2c1)N([O-])Cc1ccccc1Cl ZINC001472620144 1183657192 /nfs/dbraw/zinc/65/71/92/1183657192.db2.gz QUABOUPIVJPXFX-UHFFFAOYSA-N -1 3 318.716 3.218 20 30 DGEDHM CCCCCCN([O-])C(=O)CCC(=O)N[C@@H](C)c1ccccc1 ZINC001472621068 1183657214 /nfs/dbraw/zinc/65/72/14/1183657214.db2.gz FRYFTOADDKWJKN-HNNXBMFYSA-N -1 3 320.433 3.442 20 30 DGEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)cnn1CCC(C)C ZINC001472622750 1183657870 /nfs/dbraw/zinc/65/78/70/1183657870.db2.gz PJQJWBHRHDCVKM-UHFFFAOYSA-N -1 3 319.380 3.408 20 30 DGEDHM O=C(c1c[nH]nc1-c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001472622380 1183658459 /nfs/dbraw/zinc/65/84/59/1183658459.db2.gz JPTBUYSXDKDFRT-UHFFFAOYSA-N -1 3 311.316 3.247 20 30 DGEDHM O=C(c1c[nH]nc1-c1ccsc1)N([O-])Cc1ccc(F)cc1 ZINC001472622240 1183658513 /nfs/dbraw/zinc/65/85/13/1183658513.db2.gz HMYVZHCJNJHNBB-UHFFFAOYSA-N -1 3 317.345 3.309 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC001476322429 1184035451 /nfs/dbraw/zinc/03/54/51/1184035451.db2.gz WGENKDWVWZBNDE-LLVKDONJSA-N -1 3 303.387 3.362 20 30 DGEDHM N#Cc1ccc([C@H](NCc2ccc(C(F)F)cc2)C(=O)[O-])cc1 ZINC001608202624 1193283352 /nfs/dbraw/zinc/28/33/52/1193283352.db2.gz UTOPHFAOAKZTQX-HNNXBMFYSA-N -1 3 316.307 3.411 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](C(=O)[O-])c1ccsc1 ZINC001608214301 1193283760 /nfs/dbraw/zinc/28/37/60/1193283760.db2.gz LMOOQCFTRRPQIY-HZPDHXFCSA-N -1 3 312.394 3.413 20 30 DGEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC001609022321 1193321075 /nfs/dbraw/zinc/32/10/75/1193321075.db2.gz KICFZTGJESDMAM-UHFFFAOYSA-N -1 3 304.313 3.059 20 30 DGEDHM CC(=NNC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001609060989 1193322157 /nfs/dbraw/zinc/32/21/57/1193322157.db2.gz UDYKSHFUBHFCNY-UHFFFAOYSA-N -1 3 318.812 3.166 20 30 DGEDHM CC(=NNC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001609060989 1193322160 /nfs/dbraw/zinc/32/21/60/1193322160.db2.gz UDYKSHFUBHFCNY-UHFFFAOYSA-N -1 3 318.812 3.166 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001609251677 1193333141 /nfs/dbraw/zinc/33/31/41/1193333141.db2.gz HGYLFXLOYWEECH-VAWYXSNFSA-N -1 3 304.353 3.325 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001609251677 1193333144 /nfs/dbraw/zinc/33/31/44/1193333144.db2.gz HGYLFXLOYWEECH-VAWYXSNFSA-N -1 3 304.353 3.325 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC001609517953 1193343777 /nfs/dbraw/zinc/34/37/77/1193343777.db2.gz WUQUAXYAVGINTH-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC001609517953 1193343778 /nfs/dbraw/zinc/34/37/78/1193343778.db2.gz WUQUAXYAVGINTH-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCCc1ccccc1 ZINC001609499900 1193343919 /nfs/dbraw/zinc/34/39/19/1193343919.db2.gz OEYTVMADDQFPQL-UHFFFAOYSA-N -1 3 318.384 3.173 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCCc1ccccc1 ZINC001609499900 1193343921 /nfs/dbraw/zinc/34/39/21/1193343921.db2.gz OEYTVMADDQFPQL-UHFFFAOYSA-N -1 3 318.384 3.173 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@H]2CCCc3c(F)cccc32)C(=O)[O-])c1 ZINC001610630573 1193401882 /nfs/dbraw/zinc/40/18/82/1193401882.db2.gz UYIKIAHITHXXCV-ZWKOTPCHSA-N -1 3 324.355 3.490 20 30 DGEDHM N#Cc1cccc([C@H](N[C@@H]2CCCc3c(F)cccc32)C(=O)[O-])c1 ZINC001610630570 1193401934 /nfs/dbraw/zinc/40/19/34/1193401934.db2.gz UYIKIAHITHXXCV-MSOLQXFVSA-N -1 3 324.355 3.490 20 30 DGEDHM N#CCOc1ccccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001611650923 1193439256 /nfs/dbraw/zinc/43/92/56/1193439256.db2.gz QHPHTNBBQKQHPN-UHFFFAOYSA-N -1 3 316.744 3.274 20 30 DGEDHM CCCCN([O-])C(=O)c1ccc(COc2ccccc2OC)o1 ZINC001611657981 1193439301 /nfs/dbraw/zinc/43/93/01/1193439301.db2.gz PRKVQEZVBCEVFD-UHFFFAOYSA-N -1 3 319.357 3.499 20 30 DGEDHM Cc1ccc2nc(C(=O)N([O-])Cc3ccccc3Cl)cn2c1 ZINC001611650721 1193439307 /nfs/dbraw/zinc/43/93/07/1193439307.db2.gz IHRIUKMYDWUEIK-UHFFFAOYSA-N -1 3 315.760 3.328 20 30 DGEDHM CN1CC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc21 ZINC001611667096 1193439926 /nfs/dbraw/zinc/43/99/26/1193439926.db2.gz NXWYLHREWYPAFI-MRXNPFEDSA-N -1 3 314.360 3.167 20 30 DGEDHM Cc1noc(C(F)F)c1C(=O)[N-]c1cnc(Cl)cc1C#N ZINC001520004149 1186908314 /nfs/dbraw/zinc/90/83/14/1186908314.db2.gz KLCUMOOERHGPHM-UHFFFAOYSA-N -1 3 312.663 3.093 20 30 DGEDHM CCCCN([O-])C(=O)CCCCCCNC(=O)OC(C)(C)C ZINC001559035157 1188443178 /nfs/dbraw/zinc/44/31/78/1188443178.db2.gz FFGRVXMHCPBSHB-UHFFFAOYSA-N -1 3 316.442 3.480 20 30 DGEDHM COc1cccc([O-])c1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC001557064452 1189038331 /nfs/dbraw/zinc/03/83/31/1189038331.db2.gz XAGXTCSMWOOIOB-OAHLLOKOSA-N -1 3 322.364 3.080 20 30 DGEDHM CC(C)c1ccc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c([O-])c1 ZINC001558036731 1189100978 /nfs/dbraw/zinc/10/09/78/1189100978.db2.gz YSCKXCNAIOFEBG-QGZVFWFLSA-N -1 3 320.392 3.284 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC001559034691 1189163603 /nfs/dbraw/zinc/16/36/03/1189163603.db2.gz LMEBROYIYIKMQW-PCKAHOCUSA-N -1 3 324.465 3.212 20 30 DGEDHM O=C(Cc1ccc2c(c1)CCO2)N([O-])Cc1ccccc1Cl ZINC001559033458 1189163826 /nfs/dbraw/zinc/16/38/26/1189163826.db2.gz JFDDBAJJZAJERZ-UHFFFAOYSA-N -1 3 317.772 3.235 20 30 DGEDHM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N([O-])CCCCCC ZINC001559034480 1189163951 /nfs/dbraw/zinc/16/39/51/1189163951.db2.gz BYPZIHHNIXWNMT-AWEZNQCLSA-N -1 3 316.401 3.300 20 30 DGEDHM N#Cc1ccnc(SCc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001559359427 1189199079 /nfs/dbraw/zinc/19/90/79/1189199079.db2.gz DSCUQHVDKHUBJV-UHFFFAOYSA-N -1 3 320.377 3.408 20 30 DGEDHM C=CCOc1ccc(CC(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC001567455003 1190204122 /nfs/dbraw/zinc/20/41/22/1190204122.db2.gz PEIZRVFUWNWGHP-UHFFFAOYSA-N -1 3 315.344 3.181 20 30 DGEDHM C=CCCCCCC[N-]S(=O)(=O)c1cnc(CC)s1 ZINC001622115724 1193884606 /nfs/dbraw/zinc/88/46/06/1193884606.db2.gz LHIMKNAOTKFELS-UHFFFAOYSA-N -1 3 302.465 3.120 20 30 DGEDHM Cc1ccc(C(=O)/C=C/C(=O)N2CCCc3cccc([O-])c32)cc1 ZINC001624341945 1193993544 /nfs/dbraw/zinc/99/35/44/1193993544.db2.gz VDHOAIBLTSJHID-VAWYXSNFSA-N -1 3 321.376 3.419 20 30 DGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001628527516 1194183155 /nfs/dbraw/zinc/18/31/55/1194183155.db2.gz DPXVUYYKMKJKIW-CVEARBPZSA-N -1 3 322.364 3.010 20 30 DGEDHM CC(=O)c1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1[O-] ZINC001628957199 1194205780 /nfs/dbraw/zinc/20/57/80/1194205780.db2.gz SIGBZLZVVSYDGN-HNNXBMFYSA-N -1 3 322.364 3.306 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC001629707047 1194248624 /nfs/dbraw/zinc/24/86/24/1194248624.db2.gz XSHVWSODGNWNGR-NSHDSACASA-N -1 3 312.394 3.477 20 30 DGEDHM C=C(C)CCC(=O)[N-]OCc1ccc(F)cc1Br ZINC001633119615 1194422755 /nfs/dbraw/zinc/42/27/55/1194422755.db2.gz VKEUBIKMCQBQKK-UHFFFAOYSA-N -1 3 316.170 3.492 20 30 DGEDHM C#CCN(C(=O)c1ccc(O)cc1[O-])[C@@H]1CCCc2ccccc21 ZINC001635885435 1194577143 /nfs/dbraw/zinc/57/71/43/1194577143.db2.gz VGAXSOHFSDDKAL-GOSISDBHSA-N -1 3 321.376 3.251 20 30 DGEDHM N#Cc1c[nH]c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC001639040822 1194748027 /nfs/dbraw/zinc/74/80/27/1194748027.db2.gz OKWGJGAVJWODDV-UHFFFAOYSA-N -1 3 310.140 3.225 20 30 DGEDHM O=C(/C=C\c1ccc(F)cc1)C(=O)Nc1ccc([O-])cc1Cl ZINC001640354272 1194808113 /nfs/dbraw/zinc/80/81/13/1194808113.db2.gz UJLVFAXFONGASY-BAQGIRSFSA-N -1 3 319.719 3.406 20 30 DGEDHM CCCCN([O-])C(=O)Cc1cccc(C)c1Br ZINC001641871551 1194876586 /nfs/dbraw/zinc/87/65/86/1194876586.db2.gz WSESSUAJVDLDON-UHFFFAOYSA-N -1 3 300.196 3.318 20 30 DGEDHM N#CCSc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001646034144 1195211943 /nfs/dbraw/zinc/21/19/43/1195211943.db2.gz ICLDKQFCDOWSNU-UHFFFAOYSA-N -1 3 316.357 3.077 20 30 DGEDHM CNc1snc(C)c1C(=O)N([O-])Cc1ccccc1Cl ZINC001651223878 1195427507 /nfs/dbraw/zinc/42/75/07/1195427507.db2.gz YDZZOOZQZSZEOG-UHFFFAOYSA-N -1 3 311.794 3.178 20 30 DGEDHM CCCCN([O-])C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC001651229636 1195429211 /nfs/dbraw/zinc/42/92/11/1195429211.db2.gz UPMNZZNBMXBHJC-UHFFFAOYSA-N -1 3 315.295 3.073 20 30 DGEDHM C[C@@H](CC(=O)N([O-])Cc1cccc2ccccc21)n1cccn1 ZINC001651235942 1195429766 /nfs/dbraw/zinc/42/97/66/1195429766.db2.gz VUMIOKBENUWTQD-AWEZNQCLSA-N -1 3 309.369 3.405 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCC[C@H]1CCc2ccccc21 ZINC001651873424 1195518898 /nfs/dbraw/zinc/51/88/98/1195518898.db2.gz JLXYGEVNKJBDEW-CYBMUJFWSA-N -1 3 301.415 3.382 20 30 DGEDHM Cc1cnc(F)c(C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001654817156 1195843794 /nfs/dbraw/zinc/84/37/94/1195843794.db2.gz DJJDTRPVGUIBTA-UHFFFAOYSA-N -1 3 302.349 3.383 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cccc(Br)n1 ZINC001654819901 1195844176 /nfs/dbraw/zinc/84/41/76/1195844176.db2.gz VNMNGRTULXEINM-UHFFFAOYSA-N -1 3 301.184 3.256 20 30 DGEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)n1cnc2ccccc21 ZINC001654825752 1195845141 /nfs/dbraw/zinc/84/51/41/1195845141.db2.gz FFHRESHSTCHVTG-GFCCVEGCSA-N -1 3 313.332 3.154 20 30 DGEDHM C=CCCN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001659840883 1196420279 /nfs/dbraw/zinc/42/02/79/1196420279.db2.gz SCLSCOGUKKRJBS-GFCCVEGCSA-N -1 3 312.335 3.235 20 30 DGEDHM C=CC(C)(C)CC(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001573305810 947163308 /nfs/dbraw/zinc/16/33/08/947163308.db2.gz GKIWXEWTVQQYGX-UHFFFAOYSA-N -1 3 314.389 3.300 20 30 DGEDHM C=C[C@@H](OC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1 ZINC001573314907 947239717 /nfs/dbraw/zinc/23/97/17/947239717.db2.gz HUAVIWNLCUPKIU-CYBMUJFWSA-N -1 3 312.354 3.012 20 30 DGEDHM C=C[C@@H](OC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1 ZINC001573314907 947239728 /nfs/dbraw/zinc/23/97/28/947239728.db2.gz HUAVIWNLCUPKIU-CYBMUJFWSA-N -1 3 312.354 3.012 20 30 DGEDHM C=CCCCCCOc1c(C(C)=O)cccc1-c1nnn[n-]1 ZINC001573334883 947467785 /nfs/dbraw/zinc/46/77/85/947467785.db2.gz IXLJJEDHOXUHHB-UHFFFAOYSA-N -1 3 300.362 3.195 20 30 DGEDHM C=CCCCCCOc1c(C(C)=O)cccc1-c1nn[n-]n1 ZINC001573334883 947467791 /nfs/dbraw/zinc/46/77/91/947467791.db2.gz IXLJJEDHOXUHHB-UHFFFAOYSA-N -1 3 300.362 3.195 20 30 DGEDHM N#Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC001594620570 956277570 /nfs/dbraw/zinc/27/75/70/956277570.db2.gz MKUZQZSQSNPKGV-UHFFFAOYSA-N -1 3 300.745 3.200 20 30 DGEDHM C=C(CNCc1ccccc1O[C@H](C)C(=O)[O-])c1ccccc1 ZINC001588636957 983757468 /nfs/dbraw/zinc/75/74/68/983757468.db2.gz AESJLFCFIRPPIF-OAHLLOKOSA-N -1 3 311.381 3.342 20 30 DGEDHM C=CCN(CCOC)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588828607 984307622 /nfs/dbraw/zinc/30/76/22/984307622.db2.gz DGXWFLZEOZAUAM-CYBMUJFWSA-N -1 3 318.200 3.254 20 30 DGEDHM CC(C)(C)c1ccncc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001590515435 990125884 /nfs/dbraw/zinc/12/58/84/990125884.db2.gz KYGQWYHSWAYZMT-KRWDZBQOSA-N -1 3 323.396 3.166 20 30 DGEDHM CCOC(=O)c1c(C)oc(Nc2cccc(F)c2[O-])c1C#N ZINC001210195614 1081915203 /nfs/dbraw/zinc/91/52/03/1081915203.db2.gz OGHPKLSKEFSOAI-UHFFFAOYSA-N -1 3 304.277 3.225 20 30 DGEDHM N#Cc1ccc(-c2noc(C=C([O-])c3ccccc3Cl)n2)nc1 ZINC001211647628 1083188603 /nfs/dbraw/zinc/18/86/03/1083188603.db2.gz ZPBFZXLBHSPLMY-UHFFFAOYSA-N -1 3 324.727 3.082 20 30 DGEDHM C[C@H](CC(=O)c1ccccc1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001182169962 1083640027 /nfs/dbraw/zinc/64/00/27/1083640027.db2.gz VVTCLANERCMKDP-GFCCVEGCSA-N -1 3 308.337 3.111 20 30 DGEDHM CC(C)n1ccc(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001184293155 1084155857 /nfs/dbraw/zinc/15/58/57/1084155857.db2.gz HFRAXGUBDXBREO-UHFFFAOYSA-N -1 3 301.390 3.318 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC001184349123 1084165274 /nfs/dbraw/zinc/16/52/74/1084165274.db2.gz WCDWRKQSEGVRBU-UHFFFAOYSA-N -1 3 312.344 3.275 20 30 DGEDHM CC(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1C ZINC001184348101 1084165857 /nfs/dbraw/zinc/16/58/57/1084165857.db2.gz JVAUYHNZQBWPTF-UHFFFAOYSA-N -1 3 301.317 3.368 20 30 DGEDHM N#Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccc1Cl ZINC001184347836 1084166022 /nfs/dbraw/zinc/16/60/22/1084166022.db2.gz GSROWDXYNDSRDO-UHFFFAOYSA-N -1 3 304.708 3.382 20 30 DGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cccc(Br)c2)o1 ZINC001187441601 1084804495 /nfs/dbraw/zinc/80/44/95/1084804495.db2.gz KXRRFZPSVFIGHP-UHFFFAOYSA-N -1 3 321.134 3.261 20 30 DGEDHM Cc1csc([N-]C(=O)c2csc(-c3ncc[nH]3)n2)c1C#N ZINC001271966738 1086885854 /nfs/dbraw/zinc/88/58/54/1086885854.db2.gz IWQDEPSQHCJYEA-UHFFFAOYSA-N -1 3 315.383 3.027 20 30 DGEDHM [O-]/N=C/c1cccc(NCc2cccc3c2OC(F)(F)O3)c1 ZINC001168359478 1087335875 /nfs/dbraw/zinc/33/58/75/1087335875.db2.gz DAZPRVNQFFHAEK-UFWORHAWSA-N -1 3 306.268 3.428 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cnn1 ZINC001161783469 1089399566 /nfs/dbraw/zinc/39/95/66/1089399566.db2.gz GMFDYLJTFIUIJX-UHFFFAOYSA-N -1 3 312.156 3.123 20 30 DGEDHM CCOc1cccc(CC(=O)N([O-])Cc2ccccc2Cl)n1 ZINC001161807226 1089414650 /nfs/dbraw/zinc/41/46/50/1089414650.db2.gz FLIZKXIWMKDCKX-UHFFFAOYSA-N -1 3 320.776 3.094 20 30 DGEDHM CSc1nccnc1C(=O)N([O-])CCCCc1ccccc1 ZINC001161819413 1089422538 /nfs/dbraw/zinc/42/25/38/1089422538.db2.gz SJBHFVHTBKHMGA-UHFFFAOYSA-N -1 3 317.414 3.053 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C ZINC001161833014 1089432540 /nfs/dbraw/zinc/43/25/40/1089432540.db2.gz XFGRBAFCZFCRBW-STQMWFEESA-N -1 3 316.442 3.190 20 30 DGEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001161842674 1089435327 /nfs/dbraw/zinc/43/53/27/1089435327.db2.gz 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/nfs/dbraw/zinc/30/97/68/184309768.db2.gz MDDQFQVFZUKYFH-UHFFFAOYSA-N -1 3 307.400 3.037 20 30 DGEDHM Cc1cccc([O-])c1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000343600695 254166350 /nfs/dbraw/zinc/16/63/50/254166350.db2.gz NRQUYEJBDISOKX-UHFFFAOYSA-N -1 3 318.336 3.010 20 30 DGEDHM CC(C)c1cc(C(=O)[N-]c2cc(C#N)c3ccccc3n2)on1 ZINC000344977416 254320525 /nfs/dbraw/zinc/32/05/25/254320525.db2.gz MRJIMUFOVWVKNU-UHFFFAOYSA-N -1 3 306.325 3.470 20 30 DGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H](C)c1ccccc1 ZINC000435431395 533482969 /nfs/dbraw/zinc/48/29/69/533482969.db2.gz CXLSXUOXXGIKAP-NWDGAFQWSA-N -1 3 320.439 3.090 20 30 DGEDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443091836 533619321 /nfs/dbraw/zinc/61/93/21/533619321.db2.gz VGJKGGCNXRKJDD-ZWNOBZJWSA-N -1 3 312.822 3.069 20 30 DGEDHM CC([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)(C1CC1)C1CC1 ZINC000595365038 400135366 /nfs/dbraw/zinc/13/53/66/400135366.db2.gz TZJTUDJGWDLGMH-UHFFFAOYSA-N -1 3 324.833 3.069 20 30 DGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000091990218 400146529 /nfs/dbraw/zinc/14/65/29/400146529.db2.gz JYIZRNOUTPDJHS-IRXDYDNUSA-N -1 3 306.365 3.304 20 30 DGEDHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1sccc1C#N ZINC000025725245 400243426 /nfs/dbraw/zinc/24/34/26/400243426.db2.gz CGLBIDBRAYVKTI-UHFFFAOYSA-N -1 3 324.365 3.066 20 30 DGEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cncs3)sc2C1 ZINC000589196118 400273065 /nfs/dbraw/zinc/27/30/65/400273065.db2.gz DZKLBOYZJHQAFM-MRVPVSSYSA-N -1 3 303.412 3.453 20 30 DGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000611113636 400346010 /nfs/dbraw/zinc/34/60/10/400346010.db2.gz CCQAKUCEXZTHDL-LLVKDONJSA-N -1 3 314.476 3.262 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cccc(C)c1 ZINC000041481756 400408591 /nfs/dbraw/zinc/40/85/91/400408591.db2.gz KEBXDYYLLWYISA-MRXNPFEDSA-N -1 3 316.364 3.374 20 30 DGEDHM C=CCC1(C(=O)Nc2cnc(C(=O)OCC)[n-]2)CCCCC1 ZINC000590746107 400427430 /nfs/dbraw/zinc/42/74/30/400427430.db2.gz APMHCXRBGNSUJL-UHFFFAOYSA-N -1 3 305.378 3.052 20 30 DGEDHM C=CCC1(C(=O)Nc2c[n-]c(C(=O)OCC)n2)CCCCC1 ZINC000590746107 400427434 /nfs/dbraw/zinc/42/74/34/400427434.db2.gz APMHCXRBGNSUJL-UHFFFAOYSA-N -1 3 305.378 3.052 20 30 DGEDHM CC(C)(C)c1csc([N-]C(=O)c2cn(C3CC3)nn2)c1C#N ZINC000602347724 400443984 /nfs/dbraw/zinc/44/39/84/400443984.db2.gz IFZNZQRLYXMOTJ-UHFFFAOYSA-N -1 3 315.402 3.096 20 30 DGEDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C#N)c(C)c2)cc1 ZINC000591351444 400513655 /nfs/dbraw/zinc/51/36/55/400513655.db2.gz HHTZOLHKCINTHT-SFHVURJKSA-N -1 3 324.380 3.181 20 30 DGEDHM C[C@@]1(C#N)CCCN(Cc2cccc([O-])c2Br)C1 ZINC000590959856 400468650 /nfs/dbraw/zinc/46/86/50/400468650.db2.gz ZYWWIWGWYRQVJE-AWEZNQCLSA-N -1 3 309.207 3.280 20 30 DGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc2cccnc21 ZINC000073973860 400482686 /nfs/dbraw/zinc/48/26/86/400482686.db2.gz LQHADEHTKIKFJX-UHFFFAOYSA-N -1 3 305.297 3.249 20 30 DGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc2cccnc21 ZINC000073973860 400482690 /nfs/dbraw/zinc/48/26/90/400482690.db2.gz LQHADEHTKIKFJX-UHFFFAOYSA-N -1 3 305.297 3.249 20 30 DGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc2cccnc21 ZINC000073973860 400482696 /nfs/dbraw/zinc/48/26/96/400482696.db2.gz LQHADEHTKIKFJX-UHFFFAOYSA-N -1 3 305.297 3.249 20 30 DGEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3nccs3)sc2C1 ZINC000618623602 400646423 /nfs/dbraw/zinc/64/64/23/400646423.db2.gz FLADPIYRTRHXNB-MRVPVSSYSA-N -1 3 303.412 3.453 20 30 DGEDHM N#CC[C@@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000597904278 400691841 /nfs/dbraw/zinc/69/18/41/400691841.db2.gz GRCLZFVGYBKIDL-JTQLQIEISA-N -1 3 312.291 3.177 20 30 DGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccnc(C)c1Cl ZINC000165279342 400752025 /nfs/dbraw/zinc/75/20/25/400752025.db2.gz GKKMFZNYQCBVRD-UHFFFAOYSA-N -1 3 321.789 3.024 20 30 DGEDHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)CC#N)c1Cl ZINC000604510604 400782980 /nfs/dbraw/zinc/78/29/80/400782980.db2.gz SAAFWFDQVKEGBR-MRVPVSSYSA-N -1 3 321.229 3.191 20 30 DGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000593597199 400878253 /nfs/dbraw/zinc/87/82/53/400878253.db2.gz VQWZQHPOQUNLIQ-UHFFFAOYSA-N -1 3 318.801 3.087 20 30 DGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000182014731 400891056 /nfs/dbraw/zinc/89/10/56/400891056.db2.gz OVCNJPXJAUADNJ-CABZTGNLSA-N -1 3 318.851 3.152 20 30 DGEDHM Cc1ccccc1N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000598895596 400906796 /nfs/dbraw/zinc/90/67/96/400906796.db2.gz OWVQTOBBYCMTJH-UHFFFAOYSA-N -1 3 323.396 3.180 20 30 DGEDHM CC(C)(C#N)c1ccc(CNCc2cccc(C(=O)[O-])c2)cc1 ZINC000593947730 400924764 /nfs/dbraw/zinc/92/47/64/400924764.db2.gz MMYIICYXWCCNIY-UHFFFAOYSA-N -1 3 308.381 3.476 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)c(Cl)c1 ZINC000599520293 401066658 /nfs/dbraw/zinc/06/66/58/401066658.db2.gz ISFPRWMGFJYJIC-LBPRGKRZSA-N -1 3 324.833 3.070 20 30 DGEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Cl)s1 ZINC000060792703 401134488 /nfs/dbraw/zinc/13/44/88/401134488.db2.gz HSHHNEAJABGJNY-UHFFFAOYSA-N -1 3 305.750 3.218 20 30 DGEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Cl)s1 ZINC000060792703 401134492 /nfs/dbraw/zinc/13/44/92/401134492.db2.gz HSHHNEAJABGJNY-UHFFFAOYSA-N -1 3 305.750 3.218 20 30 DGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)C1CC1 ZINC000594743535 401167359 /nfs/dbraw/zinc/16/73/59/401167359.db2.gz GRGFAQPCGRMWIY-JTQLQIEISA-N -1 3 320.439 3.158 20 30 DGEDHM CC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1 ZINC000227301451 165385848 /nfs/dbraw/zinc/38/58/48/165385848.db2.gz DTHLNQUENOTODL-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000248375712 165618014 /nfs/dbraw/zinc/61/80/14/165618014.db2.gz BJPACADVKXFGEH-SNVBAGLBSA-N -1 3 316.744 3.323 20 30 DGEDHM COc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190895587 432198673 /nfs/dbraw/zinc/19/86/73/432198673.db2.gz VNYLFCHRBMNXEK-AWEZNQCLSA-N -1 3 303.321 3.128 20 30 DGEDHM N#Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1F ZINC000132226246 196237015 /nfs/dbraw/zinc/23/70/15/196237015.db2.gz CGDSHTRHWLJPFS-UHFFFAOYSA-N -1 3 304.708 3.238 20 30 DGEDHM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1ccccn1 ZINC000155699858 227117677 /nfs/dbraw/zinc/11/76/77/227117677.db2.gz ZDLNXPCRJWWCCA-SNVBAGLBSA-N -1 3 324.290 3.240 20 30 DGEDHM N#CCCSc1ccccc1[N-]C(=O)c1ncncc1Cl ZINC000176320112 228311352 /nfs/dbraw/zinc/31/13/52/228311352.db2.gz NXCVGFGWRVWAIF-UHFFFAOYSA-N -1 3 318.789 3.388 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000342460024 229112525 /nfs/dbraw/zinc/11/25/25/229112525.db2.gz CZXKWHCQCJOZSY-LBPRGKRZSA-N -1 3 305.259 3.294 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)CCC#N)sc1Cl ZINC000344962699 229146607 /nfs/dbraw/zinc/14/66/07/229146607.db2.gz XOEZLJUCOBOSKH-UHFFFAOYSA-N -1 3 320.867 3.318 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnn4ccccc34)nc21 ZINC000345439437 229152076 /nfs/dbraw/zinc/15/20/76/229152076.db2.gz VXVWFTYTAFJXSV-GFCCVEGCSA-N -1 3 315.336 3.009 20 30 DGEDHM N#Cc1c2c(sc1[N-]C(=O)c1occ3c1CCOC3)CCC2 ZINC000367937364 271101314 /nfs/dbraw/zinc/10/13/14/271101314.db2.gz CDNCOUDGNGRRJF-UHFFFAOYSA-N -1 3 314.366 3.026 20 30 DGEDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000166470297 278282757 /nfs/dbraw/zinc/28/27/57/278282757.db2.gz ITEYVOVUQOWKMD-NSHDSACASA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1cc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)no1 ZINC000108237737 431129634 /nfs/dbraw/zinc/12/96/34/431129634.db2.gz JHIHOUMUVUOOTF-JTQLQIEISA-N -1 3 301.371 3.487 20 30 DGEDHM Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000117116465 431545027 /nfs/dbraw/zinc/54/50/27/431545027.db2.gz LATWYQSBYZLOBH-CQSZACIVSA-N -1 3 321.409 3.402 20 30 DGEDHM Cc1ccc(C[C@H](C#N)Sc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117116465 431545034 /nfs/dbraw/zinc/54/50/34/431545034.db2.gz LATWYQSBYZLOBH-CQSZACIVSA-N -1 3 321.409 3.402 20 30 DGEDHM Cc1cc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)ccc1[O-] ZINC000416345542 280359799 /nfs/dbraw/zinc/35/97/99/280359799.db2.gz XMRIMQXGDVESQE-KRWDZBQOSA-N -1 3 306.365 3.380 20 30 DGEDHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443505126 288231961 /nfs/dbraw/zinc/23/19/61/288231961.db2.gz XLPMTZZNCSGABG-GXFFZTMASA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1cccc(O[C@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000078379954 431663098 /nfs/dbraw/zinc/66/30/98/431663098.db2.gz NTYJPXMXUPKBBI-MRVPVSSYSA-N -1 3 314.267 3.187 20 30 DGEDHM Cc1cccc(O[C@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000078379954 431663105 /nfs/dbraw/zinc/66/31/05/431663105.db2.gz NTYJPXMXUPKBBI-MRVPVSSYSA-N -1 3 314.267 3.187 20 30 DGEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000081048780 431781499 /nfs/dbraw/zinc/78/14/99/431781499.db2.gz NFRUCTDYZDNMRJ-QMMMGPOBSA-N -1 3 314.819 3.135 20 30 DGEDHM O=C(Cc1c(F)cccc1Cl)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036714180 431840829 /nfs/dbraw/zinc/84/08/29/431840829.db2.gz RGZIDWVQHWFFQW-UHFFFAOYSA-N -1 3 322.649 3.447 20 30 DGEDHM O=C(Cc1c(F)cccc1Cl)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036714180 431840831 /nfs/dbraw/zinc/84/08/31/431840831.db2.gz RGZIDWVQHWFFQW-UHFFFAOYSA-N -1 3 322.649 3.447 20 30 DGEDHM O=C(Cc1ccc(F)c(F)c1)Nc1nnc(-c2ccco2)[n-]1 ZINC000087279587 431853177 /nfs/dbraw/zinc/85/31/77/431853177.db2.gz XOHYQTKNAVWHQO-UHFFFAOYSA-N -1 3 304.256 3.174 20 30 DGEDHM O=C(Cc1ccc(F)c(F)c1)Nc1nc(-c2ccco2)n[n-]1 ZINC000087279587 431853178 /nfs/dbraw/zinc/85/31/78/431853178.db2.gz XOHYQTKNAVWHQO-UHFFFAOYSA-N -1 3 304.256 3.174 20 30 DGEDHM O=C(Cc1ccc(F)c(F)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000087279587 431853180 /nfs/dbraw/zinc/85/31/80/431853180.db2.gz XOHYQTKNAVWHQO-UHFFFAOYSA-N -1 3 304.256 3.174 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000125115619 431914621 /nfs/dbraw/zinc/91/46/21/431914621.db2.gz KGYNCKUBUPGOBU-ZDUSSCGKSA-N -1 3 319.368 3.165 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000125115619 431914624 /nfs/dbraw/zinc/91/46/24/431914624.db2.gz KGYNCKUBUPGOBU-ZDUSSCGKSA-N -1 3 319.368 3.165 20 30 DGEDHM CN(CCC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000153179626 432391491 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CCCOc1ccc(/C=N/C[C@H](O)Cc2ccccc2)c([O-])c1 ZINC000264200598 432625962 /nfs/dbraw/zinc/62/59/62/432625962.db2.gz RCRFOWQQRFRORZ-UOBPLZBXSA-N -1 3 313.397 3.204 20 30 DGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000274361425 432658056 /nfs/dbraw/zinc/65/80/56/432658056.db2.gz MLIVLBLFYDCYOL-CYBMUJFWSA-N -1 3 318.801 3.086 20 30 DGEDHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000218943465 432659804 /nfs/dbraw/zinc/65/98/04/432659804.db2.gz HIRLUCCQQGZMOI-UHFFFAOYSA-N -1 3 314.838 3.172 20 30 DGEDHM C=CC[C@@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000188202194 432710886 /nfs/dbraw/zinc/71/08/86/432710886.db2.gz QPGNVSDHYHFFJQ-CQSZACIVSA-N -1 3 319.368 3.165 20 30 DGEDHM C=CC[C@@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000188202194 432710889 /nfs/dbraw/zinc/71/08/89/432710889.db2.gz QPGNVSDHYHFFJQ-CQSZACIVSA-N -1 3 319.368 3.165 20 30 DGEDHM C=CC[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000188202194 432710892 /nfs/dbraw/zinc/71/08/92/432710892.db2.gz 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CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000442657555 528016033 /nfs/dbraw/zinc/01/60/33/528016033.db2.gz SRXSUUMKTHAHIQ-GHMZBOCLSA-N -1 3 301.371 3.126 20 30 DGEDHM CC(C)c1ccc(C(=O)NC[C@H](C)N2CCCCC2=O)c([O-])c1 ZINC000331246914 528055258 /nfs/dbraw/zinc/05/52/58/528055258.db2.gz VPGMPTYVXHTIKS-ZDUSSCGKSA-N -1 3 318.417 3.221 20 30 DGEDHM CCOc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1 ZINC000429588641 528408696 /nfs/dbraw/zinc/40/86/96/528408696.db2.gz LIVNSZPZUYDYDW-CQSZACIVSA-N -1 3 320.352 3.155 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000312498015 546452825 /nfs/dbraw/zinc/45/28/25/546452825.db2.gz VRKSRNSJBRCCOV-UHFFFAOYSA-N -1 3 312.822 3.092 20 30 DGEDHM C=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000672423847 547880650 /nfs/dbraw/zinc/88/06/50/547880650.db2.gz ZLBCWHXLKATPNN-UHFFFAOYSA-N -1 3 313.831 3.393 20 30 DGEDHM COc1nc(C)ccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000679091341 548828708 /nfs/dbraw/zinc/82/87/08/548828708.db2.gz 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ZINC000736139347 574732937 /nfs/dbraw/zinc/73/29/37/574732937.db2.gz QELVAGGEPKZGHQ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000736139347 574732939 /nfs/dbraw/zinc/73/29/39/574732939.db2.gz QELVAGGEPKZGHQ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139999 574733166 /nfs/dbraw/zinc/73/31/66/574733166.db2.gz SPAVTRKGISGRMD-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139999 574733167 /nfs/dbraw/zinc/73/31/67/574733167.db2.gz SPAVTRKGISGRMD-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000736306320 574740944 /nfs/dbraw/zinc/74/09/44/574740944.db2.gz ZDHYMYOCHNDEEW-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000736306320 574740947 /nfs/dbraw/zinc/74/09/47/574740947.db2.gz ZDHYMYOCHNDEEW-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CCc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000736682784 574802856 /nfs/dbraw/zinc/80/28/56/574802856.db2.gz MIFOEHCZBBVNHZ-CMDGGOBGSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000736682784 574802857 /nfs/dbraw/zinc/80/28/57/574802857.db2.gz MIFOEHCZBBVNHZ-CMDGGOBGSA-N -1 3 310.382 3.387 20 30 DGEDHM CCN(CC)c1ccc(/C=[NH+]\C[C@@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000737089394 574823073 /nfs/dbraw/zinc/82/30/73/574823073.db2.gz UNOWNLRFPCMJKY-MXDDHBLUSA-N -1 3 320.433 3.404 20 30 DGEDHM CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737195127 574826690 /nfs/dbraw/zinc/82/66/90/574826690.db2.gz KFRMAZBSVUIDDK-UGSOOPFHSA-N -1 3 324.380 3.433 20 30 DGEDHM CCOCc1ccccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737178441 574825908 /nfs/dbraw/zinc/82/59/08/574825908.db2.gz WVTXIEAUSWPZKY-SFHVURJKSA-N -1 3 324.380 3.010 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737345237 574839897 /nfs/dbraw/zinc/83/98/97/574839897.db2.gz QCQMQDFYFGHMRM-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737345237 574839898 /nfs/dbraw/zinc/83/98/98/574839898.db2.gz QCQMQDFYFGHMRM-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(F)cc1F ZINC000737440804 574843775 /nfs/dbraw/zinc/84/37/75/574843775.db2.gz QFZCHQAOJFSJTL-ZTYNIRBVSA-N -1 3 320.339 3.436 20 30 DGEDHM COc1cccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738089233 574859106 /nfs/dbraw/zinc/85/91/06/574859106.db2.gz CQWYZVUCCMGUDB-SJCJKPOMSA-N -1 3 310.353 3.043 20 30 DGEDHM COc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738089227 574859150 /nfs/dbraw/zinc/85/91/50/574859150.db2.gz CQWYZVUCCMGUDB-PXAZEXFGSA-N -1 3 310.353 3.043 20 30 DGEDHM Cc1cccc2c1CC[C@H]2N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738748266 574880948 /nfs/dbraw/zinc/88/09/48/574880948.db2.gz RIWBGCRYCPGWAF-QZTJIDSGSA-N -1 3 306.365 3.270 20 30 DGEDHM Cc1cccc2c1CC[C@@H]2N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738748267 574880980 /nfs/dbraw/zinc/88/09/80/574880980.db2.gz RIWBGCRYCPGWAF-ROUUACIJSA-N -1 3 306.365 3.270 20 30 DGEDHM N#Cc1ccc([C@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])cc1 ZINC000739106081 574892292 /nfs/dbraw/zinc/89/22/92/574892292.db2.gz KJUUJBMMUIBFTI-HNNXBMFYSA-N -1 3 318.735 3.266 20 30 DGEDHM N#Cc1ccc([C@H](N[C@@H]2CCc3c2cccc3F)C(=O)[O-])cc1 ZINC000739106502 574892305 /nfs/dbraw/zinc/89/23/05/574892305.db2.gz NFSIVXDYIKFDBN-SJORKVTESA-N -1 3 310.328 3.100 20 30 DGEDHM CCOc1ccc(/C=N/C[C@@](C)(O)c2ccsc2)c([O-])c1 ZINC000740763525 574941553 /nfs/dbraw/zinc/94/15/53/574941553.db2.gz KLVBKBJQAWXBEQ-BRMCRPDNSA-N -1 3 305.399 3.179 20 30 DGEDHM COc1ccc(O[C@H](C)C/N=C\c2c([O-])cccc2OC)cc1 ZINC000743044454 575032824 /nfs/dbraw/zinc/03/28/24/575032824.db2.gz JXHQLTLEXKAEJZ-CQLSMYGBSA-N -1 3 315.369 3.296 20 30 DGEDHM [O-]c1ccc2ccccc2c1/C=N\CCc1nnc2ccccn21 ZINC000743340330 575043793 /nfs/dbraw/zinc/04/37/93/575043793.db2.gz ALCOTOZKACJEEI-MOSHPQCFSA-N -1 3 316.364 3.250 20 30 DGEDHM CC[C@@H]1CCCC(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000743448418 575051809 /nfs/dbraw/zinc/05/18/09/575051809.db2.gz ODXLVFYRSKJANQ-CQSZACIVSA-N -1 3 308.447 3.105 20 30 DGEDHM CCOc1ccc(/C=N/C[C@H](O)c2c(F)cccc2F)c([O-])c1 ZINC000740763320 575218212 /nfs/dbraw/zinc/21/82/12/575218212.db2.gz GMHZYVUYXSKITD-FCASDWRQSA-N -1 3 321.323 3.222 20 30 DGEDHM O=C(C=Cc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737797459 575229597 /nfs/dbraw/zinc/22/95/97/575229597.db2.gz IRUXDAPCSGZXPY-HJWRWDBZSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737797459 575229598 /nfs/dbraw/zinc/22/95/98/575229598.db2.gz IRUXDAPCSGZXPY-HJWRWDBZSA-N -1 3 312.279 3.041 20 30 DGEDHM CC(C)C1CCC(=N[N-]S(=O)(=O)Cc2ccccc2)CC1 ZINC000729637789 575257898 /nfs/dbraw/zinc/25/78/98/575257898.db2.gz UYOKCHXGARBUQQ-UHFFFAOYSA-N -1 3 308.447 3.308 20 30 DGEDHM CCOc1ccc(/C=N\C[C@H]2COc3ccccc3C2)c([O-])c1 ZINC000747713098 575534895 /nfs/dbraw/zinc/53/48/95/575534895.db2.gz ORYJGJDSVAQBGF-GQFJFNLSSA-N 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/nfs/dbraw/zinc/62/00/32/575620032.db2.gz AEWPJEUSCLZKRX-CLFYSBASSA-N -1 3 308.337 3.253 20 30 DGEDHM COC(=O)c1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)o1 ZINC000749451073 575657077 /nfs/dbraw/zinc/65/70/77/575657077.db2.gz FHQHNFRDWIHWFS-LRUQUBRESA-N -1 3 316.284 3.294 20 30 DGEDHM N#Cc1cc(CN(Cc2ccco2)Cc2ccccc2[O-])ccn1 ZINC000749522645 575662932 /nfs/dbraw/zinc/66/29/32/575662932.db2.gz DXBWLYWNSMHTTN-UHFFFAOYSA-N -1 3 319.364 3.454 20 30 DGEDHM COc1cc(C=NOCC(C)C)cc(Br)c1[O-] ZINC000749637123 575670542 /nfs/dbraw/zinc/67/05/42/575670542.db2.gz YCMWXKICMASFFK-UHFFFAOYSA-N -1 3 302.168 3.170 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=C(C3CC3)C3CC3)nc1-2 ZINC000750722394 575747163 /nfs/dbraw/zinc/74/71/63/575747163.db2.gz CCWZXZCETFMRLO-CQSZACIVSA-N -1 3 306.369 3.189 20 30 DGEDHM Cc1ccccc1C(C)(C)C/N=C\c1c([O-])c(C)ncc1CO ZINC000750950437 575764128 /nfs/dbraw/zinc/76/41/28/575764128.db2.gz VJOJNOAFYQQJIM-JMIUGGIZSA-N -1 3 312.413 3.293 20 30 DGEDHM COC(=O)c1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)[nH]1 ZINC000751513533 575788103 /nfs/dbraw/zinc/78/81/03/575788103.db2.gz GSIVFFBNPQKGCJ-VKHJRQFRSA-N -1 3 315.300 3.029 20 30 DGEDHM C[C@@H](NC(=S)NN=Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000751532496 575789107 /nfs/dbraw/zinc/78/91/07/575789107.db2.gz YSFIZFACHHUZLK-LLVKDONJSA-N -1 3 313.426 3.142 20 30 DGEDHM CCOc1ccc(C=Nc2ccccc2CC(=O)OC)c([O-])c1 ZINC000751890944 575809648 /nfs/dbraw/zinc/80/96/48/575809648.db2.gz QECOMMBKCDRLGL-UHFFFAOYSA-N -1 3 313.353 3.257 20 30 DGEDHM CCOc1ccc(/C=N\CC(=O)OC2CCCCC2)c([O-])c1 ZINC000751889967 575809724 /nfs/dbraw/zinc/80/97/24/575809724.db2.gz GCXSCDYUYNYWLU-WQRHYEAKSA-N -1 3 305.374 3.086 20 30 DGEDHM CCN(CC)c1ccc(C=Nn2cnc3ccccc32)c([O-])c1 ZINC000725849686 575931405 /nfs/dbraw/zinc/93/14/05/575931405.db2.gz PXOBXDJFUMFHRX-UHFFFAOYSA-N -1 3 308.385 3.470 20 30 DGEDHM Cc1ccccc1C1(C/N=C\c2c([O-])c(C)ncc2CO)CC1 ZINC000726429331 576021398 /nfs/dbraw/zinc/02/13/98/576021398.db2.gz MPWPZLASVWLTGC-JMIUGGIZSA-N -1 3 310.397 3.047 20 30 DGEDHM COc1cccc([O-])c1/C=N\Cc1c(C)cc(C)nc1OC ZINC000727264448 576115742 /nfs/dbraw/zinc/11/57/42/576115742.db2.gz SYSAWVJMESOMTO-ZDLGFXPLSA-N -1 3 300.358 3.040 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2cn(C)nc2-c2ccncc2)ccc1[O-] ZINC000728232838 576170774 /nfs/dbraw/zinc/17/07/74/576170774.db2.gz XFTOIMRKRTUTOU-XQRVVYSFSA-N -1 3 319.364 3.392 20 30 DGEDHM CCOc1cc(/C=C2/CCn3nccc3C2=O)cc(Cl)c1[O-] ZINC000853009946 620659851 /nfs/dbraw/zinc/65/98/51/620659851.db2.gz SVDMHRUBPRENBT-XFFZJAGNSA-N -1 3 318.760 3.311 20 30 DGEDHM C#CCO[N-]C(=O)CCCCc1ccc(Cl)c(Cl)c1 ZINC000812787041 617676051 /nfs/dbraw/zinc/67/60/51/617676051.db2.gz ABDALUIVUYVJBF-UHFFFAOYSA-N -1 3 300.185 3.387 20 30 DGEDHM N#Cc1cc([O-])ccc1-c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000854201209 620782027 /nfs/dbraw/zinc/78/20/27/620782027.db2.gz GOIAPIDRONCHAF-UHFFFAOYSA-N -1 3 304.349 3.156 20 30 DGEDHM N#Cc1ccc(CO[N-]C(=O)CCCc2ccccc2)c(F)c1 ZINC000112335139 620816550 /nfs/dbraw/zinc/81/65/50/620816550.db2.gz NNNKKEVPRCLAPU-UHFFFAOYSA-N -1 3 312.344 3.268 20 30 DGEDHM N#Cc1ccc(OCCO[N-]C(=O)CCCc2ccccc2)cc1 ZINC000112335441 620816621 /nfs/dbraw/zinc/81/66/21/620816621.db2.gz XLQJYZWOAYJXJW-UHFFFAOYSA-N -1 3 324.380 3.008 20 30 DGEDHM C[C@@H]1CSC[C@@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000794677949 618567981 /nfs/dbraw/zinc/56/79/81/618567981.db2.gz YSEYEMGJRQGNMH-VVCPNLNESA-N -1 3 300.221 3.325 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(Cl)cc2)c1[O-] ZINC000840710479 619000452 /nfs/dbraw/zinc/00/04/52/619000452.db2.gz KAFWBQSKYFWDJA-JZGLZFLKSA-N -1 3 304.777 3.421 20 30 DGEDHM C[C@H](CC(=O)N([O-])Cc1cccc2ccccc21)c1cnn(C)c1 ZINC000900094845 619404047 /nfs/dbraw/zinc/40/40/47/619404047.db2.gz SQKMHVCLMMNVBO-CQSZACIVSA-N -1 3 323.396 3.485 20 30 DGEDHM CC(C)(C)N1CC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091804 619404261 /nfs/dbraw/zinc/40/42/61/619404261.db2.gz ODPQRFMKOQWNCC-KRWDZBQOSA-N -1 3 312.413 3.430 20 30 DGEDHM COCC(C)(C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096035 619404739 /nfs/dbraw/zinc/40/47/39/619404739.db2.gz PCXKUQVQFCGLIQ-UHFFFAOYSA-N -1 3 306.189 3.384 20 30 DGEDHM CCN(CC)c1ccnc(N=NC(C)c2ccc(F)c([O-])c2)n1 ZINC000901198415 619477341 /nfs/dbraw/zinc/47/73/41/619477341.db2.gz KVNGQEPCWIPAIO-UHFFFAOYSA-N -1 3 317.368 3.004 20 30 DGEDHM O=C(c1ccnn1C1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC000901371687 619490715 /nfs/dbraw/zinc/49/07/15/619490715.db2.gz HMQRMPWYPPUDQO-UHFFFAOYSA-N -1 3 303.337 3.169 20 30 DGEDHM Cc1nc(CCCC(=O)N([O-])Cc2ccc(F)cc2)cs1 ZINC000901372322 619491126 /nfs/dbraw/zinc/49/11/26/619491126.db2.gz BZEWCRAFMRUUEU-UHFFFAOYSA-N -1 3 308.378 3.331 20 30 DGEDHM COc1ccc2c(c1)CC[C@H]2C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372405 619491344 /nfs/dbraw/zinc/49/13/44/619491344.db2.gz YGYABAXPGDGSFO-QGZVFWFLSA-N -1 3 315.344 3.282 20 30 DGEDHM O=C([C@H]1CCOc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901374045 619491521 /nfs/dbraw/zinc/49/15/21/619491521.db2.gz CKLMXZPHVUFSQW-HNNXBMFYSA-N -1 3 301.317 3.110 20 30 DGEDHM O=C(C[C@@H]1OCCc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901374539 619491828 /nfs/dbraw/zinc/49/18/28/619491828.db2.gz LZSWNOKYRSTZQE-KRWDZBQOSA-N -1 3 315.344 3.248 20 30 DGEDHM COc1ccc2[nH]c(C(=O)N([O-])Cc3ccc(F)cc3)cc2c1 ZINC000901376140 619491960 /nfs/dbraw/zinc/49/19/60/619491960.db2.gz PWOUFNUSJRDNHK-UHFFFAOYSA-N -1 3 314.316 3.347 20 30 DGEDHM O=C(c1cc2c(c(Cl)c1)OCO2)N([O-])Cc1ccc(F)cc1 ZINC000901376578 619492279 /nfs/dbraw/zinc/49/22/79/619492279.db2.gz WIKVVEIGLAVVAI-UHFFFAOYSA-N -1 3 323.707 3.239 20 30 DGEDHM C=CCN(CC(=O)[O-])Cc1cc(F)ccc1N(C)C[C@@H](C)CC ZINC000901586808 619519080 /nfs/dbraw/zinc/51/90/80/619519080.db2.gz SOMXKPFGWPSHFV-AWEZNQCLSA-N -1 3 322.424 3.381 20 30 DGEDHM C[C@@H](NCC(C)(C)C#N)c1cc(Br)cc(F)c1[O-] ZINC000903100046 619716289 /nfs/dbraw/zinc/71/62/89/619716289.db2.gz HQZCGRHYZAZRHW-MRVPVSSYSA-N -1 3 315.186 3.494 20 30 DGEDHM COc1cc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)ccc1C#N ZINC000904045115 619863780 /nfs/dbraw/zinc/86/37/80/619863780.db2.gz HBBDSUBYNLMUEX-KRWDZBQOSA-N -1 3 324.380 3.181 20 30 DGEDHM O=C(c1ncc2n1CCCC2)N([O-])Cc1cccc2ccccc21 ZINC000904173720 619892190 /nfs/dbraw/zinc/89/21/90/619892190.db2.gz SXMOBUJMYDKAHI-UHFFFAOYSA-N -1 3 321.380 3.404 20 30 DGEDHM CCOCc1nc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000904177804 619892822 /nfs/dbraw/zinc/89/28/22/619892822.db2.gz OKTTTYZYDDUBPT-UHFFFAOYSA-N -1 3 324.377 3.159 20 30 DGEDHM COc1cccc([C@@H]2C[C@H]2C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000904177626 619893166 /nfs/dbraw/zinc/89/31/66/619893166.db2.gz JTNZCUPMLJKNFG-DLBZAZTESA-N -1 3 315.344 3.356 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000904209327 619893866 /nfs/dbraw/zinc/89/38/66/619893866.db2.gz ZGLOVFLZXHUVEZ-LLVKDONJSA-N -1 3 310.419 3.144 20 30 DGEDHM CC(C)(C(=O)N([O-])Cc1ccccc1Cl)c1cccnc1 ZINC000904191403 619894841 /nfs/dbraw/zinc/89/48/41/619894841.db2.gz WXRYTERLSVUAAM-UHFFFAOYSA-N -1 3 304.777 3.431 20 30 DGEDHM C[C@H]1C(=O)CC[C@@H]1CC(=O)N([O-])CCCCc1ccccc1 ZINC000904198103 619896527 /nfs/dbraw/zinc/89/65/27/619896527.db2.gz TWIKRDMXNYPKBH-GDBMZVCRSA-N -1 3 303.402 3.232 20 30 DGEDHM CCOC1CC(CC(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904198294 619897277 /nfs/dbraw/zinc/89/72/77/619897277.db2.gz ZBBFDACIMCZOSD-UHFFFAOYSA-N -1 3 305.418 3.432 20 30 DGEDHM CCCCCCN([O-])C(=O)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000904204259 619898218 /nfs/dbraw/zinc/89/82/18/619898218.db2.gz IDHTXULDGINSJR-UHFFFAOYSA-N -1 3 314.426 3.042 20 30 DGEDHM CCCCCCN([O-])C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000904205892 619898603 /nfs/dbraw/zinc/89/86/03/619898603.db2.gz WWZNFKGJAANVIF-UHFFFAOYSA-N -1 3 311.426 3.488 20 30 DGEDHM N#CC[C@@H](/N=C/c1cc(Br)ccc1[O-])C(F)(F)F ZINC000905002084 619964081 /nfs/dbraw/zinc/96/40/81/619964081.db2.gz FUHZLBWEIJYCTE-OMEHRSSBSA-N -1 3 321.096 3.418 20 30 DGEDHM C=C1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1 ZINC000906580731 620108342 /nfs/dbraw/zinc/10/83/42/620108342.db2.gz PXGHNVRWLRCZMW-UHFFFAOYSA-N -1 3 323.418 3.282 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000906723026 620116824 /nfs/dbraw/zinc/11/68/24/620116824.db2.gz YYJHDSNBUGLVOZ-MLGOLLRUSA-N -1 3 322.355 3.376 20 30 DGEDHM C=CC(C)(C)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000908461913 620206724 /nfs/dbraw/zinc/20/67/24/620206724.db2.gz FRBNLNVHFTXHAL-UHFFFAOYSA-N -1 3 324.265 3.062 20 30 DGEDHM Cc1cc(C/N=C/c2c([O-])c(C)ncc2CO)ccc1Cl ZINC000753994206 620529934 /nfs/dbraw/zinc/52/99/34/620529934.db2.gz IPVOJYUWOMMABU-QGMBQPNBSA-N -1 3 304.777 3.169 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)Cc2ccccc2Cl)c1[O-] ZINC000915980020 620610741 /nfs/dbraw/zinc/61/07/41/620610741.db2.gz WRESAKVOVBFHSO-CZPFXKHOSA-N -1 3 318.804 3.291 20 30 DGEDHM Cc1nc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2s1 ZINC000920942544 620828723 /nfs/dbraw/zinc/82/87/23/620828723.db2.gz FNWLAPVUPPBNEF-UHFFFAOYSA-N -1 3 300.339 3.472 20 30 DGEDHM [O-]c1ccc(Br)cc1C=Nc1cccc(CO)c1 ZINC000920945062 620828918 /nfs/dbraw/zinc/82/89/18/620828918.db2.gz ORMMPSDGVPOVJX-UHFFFAOYSA-N -1 3 306.159 3.398 20 30 DGEDHM C=CCCO[N-]C(=O)CCc1cc(Br)ccc1F ZINC000856034079 620955791 /nfs/dbraw/zinc/95/57/91/620955791.db2.gz GAMAWPMGQFYADX-UHFFFAOYSA-N -1 3 316.170 3.145 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000857602999 621101871 /nfs/dbraw/zinc/10/18/71/621101871.db2.gz PWVUNSQGUKXHRU-OAHLLOKOSA-N -1 3 310.344 3.232 20 30 DGEDHM CO[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])C1(C)C ZINC000753139564 621427553 /nfs/dbraw/zinc/42/75/53/621427553.db2.gz VVRLLPFBIOINRX-CWJRHKRGSA-N -1 3 312.207 3.387 20 30 DGEDHM Cn1c(=O)oc2c1cccc2N=Cc1cc(Cl)ccc1[O-] ZINC000753636877 621456757 /nfs/dbraw/zinc/45/67/57/621456757.db2.gz BNDJKQQRBVPFEB-UHFFFAOYSA-N -1 3 302.717 3.241 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3nc(Cl)cs3)[nH]c21 ZINC000789429227 625494175 /nfs/dbraw/zinc/49/41/75/625494175.db2.gz CQTOTPOIOOOKPC-QMMMGPOBSA-N -1 3 316.773 3.471 20 30 DGEDHM N#CCOc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000755054617 621548926 /nfs/dbraw/zinc/54/89/26/621548926.db2.gz RAVFCFFXTGWENF-UHFFFAOYSA-N -1 3 322.364 3.426 20 30 DGEDHM Cc1c(Cl)cccc1NC(=S)NN=Cc1ccc([O-])cn1 ZINC000755507706 621576804 /nfs/dbraw/zinc/57/68/04/621576804.db2.gz HHWISOJCPLPTSF-UHFFFAOYSA-N -1 3 320.805 3.070 20 30 DGEDHM [O-]c1ccc(C=NNCc2ccc(Br)cc2)cc1F ZINC000755682246 621585339 /nfs/dbraw/zinc/58/53/39/621585339.db2.gz BZQLJNXQDHGYKG-UHFFFAOYSA-N -1 3 323.165 3.418 20 30 DGEDHM C=CCC[C@@H](NCc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000756379287 621632899 /nfs/dbraw/zinc/63/28/99/621632899.db2.gz MCCRBCQFAVQBJR-LLVKDONJSA-N -1 3 308.428 3.381 20 30 DGEDHM [O-]c1cccc(Br)c1C=NNCCC(F)(F)F ZINC000863109464 621639535 /nfs/dbraw/zinc/63/95/35/621639535.db2.gz PLNDOKLKXBDFAJ-UHFFFAOYSA-N -1 3 311.101 3.031 20 30 DGEDHM C[C@H]1CC(N=Nc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000757570342 621725112 /nfs/dbraw/zinc/72/51/12/621725112.db2.gz WRYHBTVLKPXRMD-AWEZNQCLSA-N -1 3 323.396 3.447 20 30 DGEDHM C=C(C)C[C@H](NCc1c(F)cccc1Br)C(=O)[O-] ZINC000864529915 621780095 /nfs/dbraw/zinc/78/00/95/621780095.db2.gz OFBWEBSKOOXKLI-LBPRGKRZSA-N -1 3 316.170 3.097 20 30 DGEDHM C=C(C)C[C@H](NCc1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000864529892 621780197 /nfs/dbraw/zinc/78/01/97/621780197.db2.gz NRHHAYIKYPTMIK-NSHDSACASA-N -1 3 321.270 3.233 20 30 DGEDHM C=CCn1c2ccccc2nc1SCc1nc(C)cc(=O)[n-]1 ZINC000761852874 622033969 /nfs/dbraw/zinc/03/39/69/622033969.db2.gz MSYSRZDUEQZRIZ-UHFFFAOYSA-N -1 3 312.398 3.319 20 30 DGEDHM C#CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000764449745 622194730 /nfs/dbraw/zinc/19/47/30/622194730.db2.gz RALLUYXTTCVESM-UHFFFAOYSA-N -1 3 319.404 3.415 20 30 DGEDHM CC(C)[C@H]1CCCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000764700165 622213969 /nfs/dbraw/zinc/21/39/69/622213969.db2.gz VTPQJXRBIMIHEO-MRXNPFEDSA-N -1 3 322.474 3.351 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)/C(C)=C\c1ccc(Br)o1 ZINC000869153321 622323158 /nfs/dbraw/zinc/32/31/58/622323158.db2.gz BENXVVZXDREGOP-UFGYOYAJSA-N -1 3 300.152 3.068 20 30 DGEDHM COc1cc(C=NNc2ccc(Cl)cc2)c([N+](=O)[O-])cc1[O-] ZINC000767015186 622369084 /nfs/dbraw/zinc/36/90/84/622369084.db2.gz HXFAHOMJESJZAV-UHFFFAOYSA-N -1 3 321.720 3.408 20 30 DGEDHM COc1cc(C(=O)OCCCCC(C)(C)C#N)cc(OC)c1[O-] ZINC000768795722 622478057 /nfs/dbraw/zinc/47/80/57/622478057.db2.gz REEAPWIOPSJHEV-UHFFFAOYSA-N -1 3 321.373 3.286 20 30 DGEDHM C=CCNC(=O)c1ccccc1NC(=O)c1cccc(CC)c1[O-] ZINC000769651448 622547057 /nfs/dbraw/zinc/54/70/57/622547057.db2.gz JCUOTRUIWFNTFL-UHFFFAOYSA-N -1 3 324.380 3.123 20 30 DGEDHM CC(=NNCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000769822537 622565266 /nfs/dbraw/zinc/56/52/66/622565266.db2.gz PFIKIRVZRDSXHQ-UHFFFAOYSA-N -1 3 311.101 3.031 20 30 DGEDHM C#CCCCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000872007236 622751635 /nfs/dbraw/zinc/75/16/35/622751635.db2.gz LVRLAWLPFBAVIB-UHFFFAOYSA-N -1 3 324.402 3.047 20 30 DGEDHM CCC(CCC(F)(F)F)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000872345681 622893166 /nfs/dbraw/zinc/89/31/66/622893166.db2.gz SXWTYEYKFNGFGR-UHFFFAOYSA-N -1 3 322.352 3.215 20 30 DGEDHM COc1cc(C=NN[C@H]2CCCCC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000773125523 622988330 /nfs/dbraw/zinc/98/83/30/622988330.db2.gz NDTVKJCXKNMTJS-HNNXBMFYSA-N -1 3 321.377 3.201 20 30 DGEDHM COC(=O)c1coc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)c1 ZINC000774115750 623109117 /nfs/dbraw/zinc/10/91/17/623109117.db2.gz RAHMIVSXMSLQDQ-QKNMJKLUSA-N -1 3 316.284 3.294 20 30 DGEDHM COc1c([O-])c(CN(CCC#N)CCC(C)C)ccc1[N+](=O)[O-] ZINC000774877630 623204236 /nfs/dbraw/zinc/20/42/36/623204236.db2.gz LKHJXUFCUBIFLH-UHFFFAOYSA-N -1 3 321.377 3.071 20 30 DGEDHM COc1ccc(C#N)cc1COC(=O)c1cccc(Cl)c1[O-] ZINC000775932205 623352667 /nfs/dbraw/zinc/35/26/67/623352667.db2.gz FHYDRMCMUYQBHO-UHFFFAOYSA-N -1 3 317.728 3.283 20 30 DGEDHM CC(C)c1ccc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000776275866 623406057 /nfs/dbraw/zinc/40/60/57/623406057.db2.gz VLOVHSWWRPNREC-UHFFFAOYSA-N -1 3 323.348 3.427 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cnc3c(C)cccn23)ccc1[O-] ZINC000125297659 623419575 /nfs/dbraw/zinc/41/95/75/623419575.db2.gz KKBNKQFUAJOUCK-SOFGYWHQSA-N -1 3 308.337 3.253 20 30 DGEDHM COC(=O)N1CCC([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000776722603 623455442 /nfs/dbraw/zinc/45/54/42/623455442.db2.gz UVSMYIKNEURUEF-IPHDDYSGSA-N -1 3 324.808 3.331 20 30 DGEDHM C#CCOc1cccc(Cl)c1CNCc1ccc([O-])c(F)c1 ZINC000778169053 623619659 /nfs/dbraw/zinc/61/96/59/623619659.db2.gz LBXBOCXEWMKQFM-UHFFFAOYSA-N -1 3 319.763 3.487 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc(Cl)n1 ZINC000778602923 623675665 /nfs/dbraw/zinc/67/56/65/623675665.db2.gz CMMMNEVXASNNCP-CYBMUJFWSA-N -1 3 313.744 3.005 20 30 DGEDHM C#CCCCCCCNc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000876841279 623726029 /nfs/dbraw/zinc/72/60/29/623726029.db2.gz ODBJNLNLNSMGTD-UHFFFAOYSA-N -1 3 324.446 3.062 20 30 DGEDHM CNC(=O)c1cccc(CC/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000126558803 623906989 /nfs/dbraw/zinc/90/69/89/623906989.db2.gz LVCGPFBHRHIBRO-RGVLZGJSSA-N -1 3 316.788 3.067 20 30 DGEDHM CC(=O)c1cc(Cl)cc(CN2CCC(CC#N)CC2)c1[O-] ZINC000782088858 624202235 /nfs/dbraw/zinc/20/22/35/624202235.db2.gz NTOJGRIZXTZJKY-UHFFFAOYSA-N -1 3 306.793 3.374 20 30 DGEDHM CC(=O)Nc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cn1 ZINC000788319811 625125621 /nfs/dbraw/zinc/12/56/21/625125621.db2.gz XGRIXJVYGOVCIZ-RQZCQDPDSA-N -1 3 303.749 3.018 20 30 DGEDHM N#Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)ccc1C1CC1 ZINC000881122464 625250055 /nfs/dbraw/zinc/25/00/55/625250055.db2.gz IIXYXTFEMXRMSE-OAHLLOKOSA-N -1 3 301.346 3.015 20 30 DGEDHM N#Cc1cc(NC(=O)[N-]O[C@@H]2CCCCO2)ccc1C1CC1 ZINC000881122464 625250061 /nfs/dbraw/zinc/25/00/61/625250061.db2.gz IIXYXTFEMXRMSE-OAHLLOKOSA-N -1 3 301.346 3.015 20 30 DGEDHM CCOc1cc(C=CC(=O)c2cc[nH]c(=O)c2)cc(Cl)c1[O-] ZINC000791434253 625800961 /nfs/dbraw/zinc/80/09/61/625800961.db2.gz WSHNUVQNWALZRL-ARJAWSKDSA-N -1 3 319.744 3.441 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1C#N ZINC000799600900 626312269 /nfs/dbraw/zinc/31/22/69/626312269.db2.gz UADGJPDGWKMFKB-HNNXBMFYSA-N -1 3 314.348 3.243 20 30 DGEDHM COC(=O)c1c(F)cccc1NN=C(C)c1ccc([O-])c(F)c1 ZINC000800818235 626376771 /nfs/dbraw/zinc/37/67/71/626376771.db2.gz OAOXDWIXXQVLNC-UHFFFAOYSA-N -1 3 320.295 3.293 20 30 DGEDHM COc1cccc2c(C(=O)O[C@H](C)c3ccc(C#N)cc3)n[n-]c21 ZINC000808675433 626847864 /nfs/dbraw/zinc/84/78/64/626847864.db2.gz GPLRWJUVFRISFW-LLVKDONJSA-N -1 3 321.336 3.361 20 30 DGEDHM COc1cccc2c(C(=O)O[C@H](C)c3ccc(C#N)cc3)[n-]nc21 ZINC000808675433 626847867 /nfs/dbraw/zinc/84/78/67/626847867.db2.gz GPLRWJUVFRISFW-LLVKDONJSA-N -1 3 321.336 3.361 20 30 DGEDHM COc1cccc2c(C(=O)OCCCC(C)(C)C#N)n[n-]c21 ZINC000808675573 626848381 /nfs/dbraw/zinc/84/83/81/626848381.db2.gz LOTOAFBDWAKBQG-UHFFFAOYSA-N -1 3 301.346 3.058 20 30 DGEDHM COc1cccc2c(C(=O)OCCCC(C)(C)C#N)[n-]nc21 ZINC000808675573 626848382 /nfs/dbraw/zinc/84/83/82/626848382.db2.gz LOTOAFBDWAKBQG-UHFFFAOYSA-N -1 3 301.346 3.058 20 30 DGEDHM CSC1(C/N=C/c2c([O-])c(C)ncc2CO)CCCCC1 ZINC000887272648 627239651 /nfs/dbraw/zinc/23/96/51/627239651.db2.gz SCEHJVVKAHQJBX-RQZCQDPDSA-N 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ZINC000822194146 628428630 /nfs/dbraw/zinc/42/86/30/628428630.db2.gz KVQRUVIHYAGGJD-UHFFFAOYSA-N -1 3 324.363 3.377 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000822274533 628435171 /nfs/dbraw/zinc/43/51/71/628435171.db2.gz ACIIQIMFCJLCLC-DHZHZOJOSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000822340747 628442656 /nfs/dbraw/zinc/44/26/56/628442656.db2.gz GAGXBTQYPANNQP-YFHOEESVSA-N -1 3 308.366 3.059 20 30 DGEDHM Clc1cscc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000822591067 628468660 /nfs/dbraw/zinc/46/86/60/628468660.db2.gz PXTLMWAMEBYXTR-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822765991 628491232 /nfs/dbraw/zinc/49/12/32/628491232.db2.gz DAYPSWMUANBYFP-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(F)cc1F ZINC000822922737 628509298 /nfs/dbraw/zinc/50/92/98/628509298.db2.gz IWUISHJDJVNEOJ-GORDUTHDSA-N -1 3 318.308 3.103 20 30 DGEDHM 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DWXJTVOWEGBZKX-AWEZNQCLSA-N -1 3 320.400 3.136 20 30 DGEDHM CC1(C)CCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824797212 628694755 /nfs/dbraw/zinc/69/47/55/628694755.db2.gz XDOZQQKDEFVIOO-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM CC1(C)CCC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824797212 628694758 /nfs/dbraw/zinc/69/47/58/628694758.db2.gz XDOZQQKDEFVIOO-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM CC1(C)CCCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824801308 628695434 /nfs/dbraw/zinc/69/54/34/628695434.db2.gz CZEAGOBNJKSMRC-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CC1(C)CCCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824801308 628695437 /nfs/dbraw/zinc/69/54/37/628695437.db2.gz CZEAGOBNJKSMRC-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825632027 628779634 /nfs/dbraw/zinc/77/96/34/628779634.db2.gz JRDAWSCMVXFIHM-FMIVXFBMSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825632027 628779639 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CCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829497231 629162804 /nfs/dbraw/zinc/16/28/04/629162804.db2.gz ZJQRWNOPUCLDKH-SFHVURJKSA-N -1 3 324.380 3.302 20 30 DGEDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829497231 629162806 /nfs/dbraw/zinc/16/28/06/629162806.db2.gz ZJQRWNOPUCLDKH-SFHVURJKSA-N -1 3 324.380 3.302 20 30 DGEDHM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000829868458 629203495 /nfs/dbraw/zinc/20/34/95/629203495.db2.gz JOUDPALHSPPHJI-UHFFFAOYSA-N -1 3 309.362 3.037 20 30 DGEDHM Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000830655313 629292892 /nfs/dbraw/zinc/29/28/92/629292892.db2.gz NMPWERNUEOHQDG-LLVKDONJSA-N -1 3 315.354 3.340 20 30 DGEDHM CN(Cc1ccc(F)c(F)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830825212 629308960 /nfs/dbraw/zinc/30/89/60/629308960.db2.gz HVCGXZDPDQEQOS-MRXNPFEDSA-N -1 3 316.307 3.094 20 30 DGEDHM Cc1cccnc1[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)C(C)C ZINC000832983570 629545148 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N#Cc1ccc(CN[C@H]2C[C@H](NC(=O)[O-])c3ccccc32)cc1 ZINC000833971920 629663231 /nfs/dbraw/zinc/66/32/31/629663231.db2.gz QIRVFGNSFDTMKU-IRXDYDNUSA-N -1 3 307.353 3.102 20 30 DGEDHM C=C[C@H](CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000837601908 630283960 /nfs/dbraw/zinc/28/39/60/630283960.db2.gz HPTMWKZABNXHOC-CYBMUJFWSA-N -1 3 324.380 3.463 20 30 DGEDHM C[C@@H]1SCC[C@@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000843262938 630638573 /nfs/dbraw/zinc/63/85/73/630638573.db2.gz GIBUKCXNGFQPSD-STOMPXAJSA-N -1 3 300.221 3.468 20 30 DGEDHM CC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1F ZINC000844271109 630714887 /nfs/dbraw/zinc/71/48/87/630714887.db2.gz MKOAVBDUYZGUKD-DMOKECBHSA-N -1 3 302.349 3.297 20 30 DGEDHM CCCCCCCCCNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000105542204 630735274 /nfs/dbraw/zinc/73/52/74/630735274.db2.gz HABMNECNFROXGQ-UHFFFAOYSA-N -1 3 316.401 3.051 20 30 DGEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C1=COCCC1 ZINC000845837834 631198301 /nfs/dbraw/zinc/19/83/01/631198301.db2.gz 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/nfs/dbraw/zinc/26/00/25/631260025.db2.gz ZCPAVKWPXMSUGZ-VIFPVBQESA-N -1 3 316.170 3.143 20 30 DGEDHM C#C[C@H]1CCCN(C(=O)c2ccc(OCCCC)cc2[O-])C1 ZINC000848279129 631638718 /nfs/dbraw/zinc/63/87/18/631638718.db2.gz JMTPKBCAWRZPRD-AWEZNQCLSA-N -1 3 301.386 3.057 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cc2n(n1)CCCC2 ZINC000848639409 631714678 /nfs/dbraw/zinc/71/46/78/631714678.db2.gz TYLCQKHOIWSLIY-AVMBBCFPSA-N -1 3 312.344 3.448 20 30 DGEDHM Cc1cc(F)ccc1C[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000849171192 631852547 /nfs/dbraw/zinc/85/25/47/631852547.db2.gz ZMFGFKXSTACEHN-IDTCLIEOSA-N -1 3 316.376 3.086 20 30 DGEDHM CCOC(=O)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000849171150 631852586 /nfs/dbraw/zinc/85/25/86/631852586.db2.gz YUFUPNPIYCQTHF-KHEAKSIKSA-N -1 3 323.698 3.349 20 30 DGEDHM [O-]c1ccc(F)c(C=NNc2cnnc3ccccc32)c1F ZINC000794512211 661088432 /nfs/dbraw/zinc/08/84/32/661088432.db2.gz QKKNLHGCAFNUMJ-UHFFFAOYSA-N -1 3 300.268 3.060 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1cccnc1F ZINC000794831905 661107703 /nfs/dbraw/zinc/10/77/03/661107703.db2.gz FIQDXLZHQQTBIM-LZYBPNLTSA-N -1 3 309.138 3.308 20 30 DGEDHM O=C1c2cccc(F)c2OC/C1=C/c1c(F)ccc([O-])c1F ZINC000794935387 661114817 /nfs/dbraw/zinc/11/48/17/661114817.db2.gz QMKRTUCCSUBFCC-VURMDHGXSA-N -1 3 306.239 3.468 20 30 DGEDHM CN(C)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000255094226 655597783 /nfs/dbraw/zinc/59/77/83/655597783.db2.gz NSURZDCVVIODLG-WPBJZHHJSA-N -1 3 319.386 3.084 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cnc3c(C)cccn23)ccc1[O-] ZINC000255436673 655749272 /nfs/dbraw/zinc/74/92/72/655749272.db2.gz KKBNKQFUAJOUCK-VURMDHGXSA-N -1 3 308.337 3.253 20 30 DGEDHM CCc1ccc(C(=O)Nc2ccccc2O[C@@H](C)C#N)c([O-])c1 ZINC000189386976 656155060 /nfs/dbraw/zinc/15/50/60/656155060.db2.gz NNPNTRLSEFHVEN-LBPRGKRZSA-N -1 3 310.353 3.498 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCCOc2ccc(F)cc2)c1 ZINC000811187928 661231148 /nfs/dbraw/zinc/23/11/48/661231148.db2.gz PXBSJALQDJGZKA-UHFFFAOYSA-N -1 3 315.300 3.029 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ncccc2C(F)(F)F)c1 ZINC000811187291 661231300 /nfs/dbraw/zinc/23/13/00/661231300.db2.gz DVMZTYINZGFINU-UHFFFAOYSA-N -1 3 322.242 3.035 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc3ccccc3s2)c1 ZINC000811188752 661231377 /nfs/dbraw/zinc/23/13/77/661231377.db2.gz WPBYNXQLHHXIBU-UHFFFAOYSA-N -1 3 310.334 3.231 20 30 DGEDHM C#Cc1cccc(N(C)Cc2cc(=O)oc3c(C)c([O-])ccc23)c1 ZINC000303206717 657521945 /nfs/dbraw/zinc/52/19/45/657521945.db2.gz PZXQKJNBWARLAW-UHFFFAOYSA-N -1 3 319.360 3.425 20 30 DGEDHM COc1ccc(C#N)cc1CO[N-]C(=O)CCCc1ccccc1 ZINC000163425307 658339269 /nfs/dbraw/zinc/33/92/69/658339269.db2.gz HEIAZIHSDAPHKT-UHFFFAOYSA-N -1 3 324.380 3.138 20 30 DGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000060851257 659211905 /nfs/dbraw/zinc/21/19/05/659211905.db2.gz LYYBBCMEJAEAEK-XVJNWHFHSA-N -1 3 324.359 3.033 20 30 DGEDHM Cc1cc(C)cc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000060944121 659218851 /nfs/dbraw/zinc/21/88/51/659218851.db2.gz OSAOGUJYHZDMPH-UHFFFAOYSA-N -1 3 324.380 3.018 20 30 DGEDHM C#C[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000934513740 661712204 /nfs/dbraw/zinc/71/22/04/661712204.db2.gz TUAITXOGTUMJQZ-GFCCVEGCSA-N -1 3 307.353 3.069 20 30 DGEDHM C=CCCN(OCc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000189908245 661996481 /nfs/dbraw/zinc/99/64/81/661996481.db2.gz CDXMBCJYWDEGCI-UHFFFAOYSA-N -1 3 313.353 3.248 20 30 DGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000393801723 685219316 /nfs/dbraw/zinc/21/93/16/685219316.db2.gz RRQSNBAQVTWLPM-QMMMGPOBSA-N -1 3 309.218 3.021 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000394041330 685220362 /nfs/dbraw/zinc/22/03/62/685220362.db2.gz SUHCEVBGVSPNEL-UHFFFAOYSA-N -1 3 323.245 3.269 20 30 DGEDHM C=CC1(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)CCCCC1 ZINC001584912072 1192229802 /nfs/dbraw/zinc/22/98/02/1192229802.db2.gz XDYZJCZBEXWTSY-UHFFFAOYSA-N -1 3 302.300 3.289 20 30 DGEDHM C=CC1(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)CCCCC1 ZINC001584912072 1192229805 /nfs/dbraw/zinc/22/98/05/1192229805.db2.gz XDYZJCZBEXWTSY-UHFFFAOYSA-N -1 3 302.300 3.289 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001663040991 1196786906 /nfs/dbraw/zinc/78/69/06/1196786906.db2.gz QIPKOMBYOVSEEE-NSHDSACASA-N -1 3 303.374 3.296 20 30 DGEDHM C=C[C@@](C)(CC)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588495397 1192448434 /nfs/dbraw/zinc/44/84/34/1192448434.db2.gz DHVAMKIDIWMGJZ-DVQDXYAYSA-N -1 3 312.373 3.025 20 30 DGEDHM C=C[C@@](C)(CC)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588495397 1192448443 /nfs/dbraw/zinc/44/84/43/1192448443.db2.gz DHVAMKIDIWMGJZ-DVQDXYAYSA-N -1 3 312.373 3.025 20 30 DGEDHM C=CC(C)(C)CCCNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588486309 1192448696 /nfs/dbraw/zinc/44/86/96/1192448696.db2.gz FFRZEFGVOAJMRQ-UHFFFAOYSA-N -1 3 320.422 3.042 20 30 DGEDHM C=CC(C)(C)CCCNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588486309 1192448699 /nfs/dbraw/zinc/44/86/99/1192448699.db2.gz FFRZEFGVOAJMRQ-UHFFFAOYSA-N -1 3 320.422 3.042 20 30 DGEDHM C=C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001588526183 1192448804 /nfs/dbraw/zinc/44/88/04/1192448804.db2.gz RIDCNADVFRFMDL-BMSUMIBZSA-N -1 3 312.373 3.024 20 30 DGEDHM C=C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001588526183 1192448808 /nfs/dbraw/zinc/44/88/08/1192448808.db2.gz RIDCNADVFRFMDL-BMSUMIBZSA-N -1 3 312.373 3.024 20 30 DGEDHM C=CCCCCCN(C)c1cc(C(C)=O)ccc1-c1nnn[n-]1 ZINC001588593319 1192451167 /nfs/dbraw/zinc/45/11/67/1192451167.db2.gz BWXYAAXBMHGKLV-UHFFFAOYSA-N -1 3 313.405 3.252 20 30 DGEDHM C=CCCCCCN(C)c1cc(C(C)=O)ccc1-c1nn[n-]n1 ZINC001588593319 1192451171 /nfs/dbraw/zinc/45/11/71/1192451171.db2.gz BWXYAAXBMHGKLV-UHFFFAOYSA-N -1 3 313.405 3.252 20 30 DGEDHM Cc1ccc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)c([O-])c1O ZINC001589037369 1192456086 /nfs/dbraw/zinc/45/60/86/1192456086.db2.gz DASQHHVIRQRRDT-UHFFFAOYSA-N -1 3 308.337 3.408 20 30 DGEDHM C[C@@H](Nc1ccc(F)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589982608 1192481180 /nfs/dbraw/zinc/48/11/80/1192481180.db2.gz ZCRVWOZZMHQMEW-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(F)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589982608 1192481181 /nfs/dbraw/zinc/48/11/81/1192481181.db2.gz ZCRVWOZZMHQMEW-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cccc(F)c1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589985070 1192481341 /nfs/dbraw/zinc/48/13/41/1192481341.db2.gz CEQYVOYWFSLRGJ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cccc(F)c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589985070 1192481343 /nfs/dbraw/zinc/48/13/43/1192481343.db2.gz CEQYVOYWFSLRGJ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Oc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001590023531 1192483208 /nfs/dbraw/zinc/48/32/08/1192483208.db2.gz OBHSCAHKLGURJT-JTQLQIEISA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@H](Oc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001590023531 1192483209 /nfs/dbraw/zinc/48/32/09/1192483209.db2.gz OBHSCAHKLGURJT-JTQLQIEISA-N -1 3 309.304 3.017 20 30 DGEDHM CCCCCCCCNC(=O)c1cscc1-c1nnn[n-]1 ZINC001590592358 1192528963 /nfs/dbraw/zinc/52/89/63/1192528963.db2.gz ONDGYZIGJLBDOQ-UHFFFAOYSA-N -1 3 307.423 3.019 20 30 DGEDHM CCCCCCCCNC(=O)c1cscc1-c1nn[n-]n1 ZINC001590592358 1192528968 /nfs/dbraw/zinc/52/89/68/1192528968.db2.gz ONDGYZIGJLBDOQ-UHFFFAOYSA-N -1 3 307.423 3.019 20 30 DGEDHM CCCCCCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590594450 1192529811 /nfs/dbraw/zinc/52/98/11/1192529811.db2.gz LVDFLZWBOHRCDS-UHFFFAOYSA-N -1 3 322.344 3.296 20 30 DGEDHM CCCCCCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590594450 1192529813 /nfs/dbraw/zinc/52/98/13/1192529813.db2.gz LVDFLZWBOHRCDS-UHFFFAOYSA-N -1 3 322.344 3.296 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)o1 ZINC001590884853 1192554319 /nfs/dbraw/zinc/55/43/19/1192554319.db2.gz ZTDGKSVLDXFEQY-VMPITWQZSA-N -1 3 308.341 3.227 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)o1 ZINC001590884853 1192554323 /nfs/dbraw/zinc/55/43/23/1192554323.db2.gz ZTDGKSVLDXFEQY-VMPITWQZSA-N -1 3 308.341 3.227 20 30 DGEDHM CSCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001591691518 1192568171 /nfs/dbraw/zinc/56/81/71/1192568171.db2.gz AAHPJQABIDEHLH-UHFFFAOYSA-N -1 3 324.413 3.046 20 30 DGEDHM Cc1c(Cl)cccc1NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC001591818981 1192574228 /nfs/dbraw/zinc/57/42/28/1192574228.db2.gz AOZWXKCARZNWQE-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM Cc1c(Cl)cccc1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC001591818981 1192574229 /nfs/dbraw/zinc/57/42/29/1192574229.db2.gz AOZWXKCARZNWQE-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)c(C)c1)C2 ZINC001592204117 1192601881 /nfs/dbraw/zinc/60/18/81/1192601881.db2.gz IQDICRWDTHYYQR-DHDCSXOGSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)c(C)c1)C2 ZINC001592204117 1192601884 /nfs/dbraw/zinc/60/18/84/1192601884.db2.gz IQDICRWDTHYYQR-DHDCSXOGSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cccc(-c2nnn[n-]2)c1SCc1cccc(C#N)c1 ZINC001592215556 1192603094 /nfs/dbraw/zinc/60/30/94/1192603094.db2.gz YCFIDUXQVOFCGM-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(-c2nn[n-]n2)c1SCc1cccc(C#N)c1 ZINC001592215556 1192603096 /nfs/dbraw/zinc/60/30/96/1192603096.db2.gz YCFIDUXQVOFCGM-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM FCCC[C@@H]1CCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001592632417 1192619590 /nfs/dbraw/zinc/61/95/90/1192619590.db2.gz WCYDBRXUXHLCFK-NSHDSACASA-N -1 3 302.357 3.184 20 30 DGEDHM FCCC[C@@H]1CCCC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001592632417 1192619591 /nfs/dbraw/zinc/61/95/91/1192619591.db2.gz WCYDBRXUXHLCFK-NSHDSACASA-N -1 3 302.357 3.184 20 30 DGEDHM N#CCCCCCC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001592674934 1192625978 /nfs/dbraw/zinc/62/59/78/1192625978.db2.gz NANUCLQGVIVKIE-UHFFFAOYSA-N -1 3 324.388 3.157 20 30 DGEDHM N#CCCCCCC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001592674934 1192625981 /nfs/dbraw/zinc/62/59/81/1192625981.db2.gz NANUCLQGVIVKIE-UHFFFAOYSA-N -1 3 324.388 3.157 20 30 DGEDHM N#CC1(CNc2ccc(Cl)cc2-c2nnn[n-]2)CCCC1 ZINC001592669827 1192626444 /nfs/dbraw/zinc/62/64/44/1192626444.db2.gz NZADOTMTNLHKFA-UHFFFAOYSA-N -1 3 302.769 3.016 20 30 DGEDHM N#CC1(CNc2ccc(Cl)cc2-c2nn[n-]n2)CCCC1 ZINC001592669827 1192626446 /nfs/dbraw/zinc/62/64/46/1192626446.db2.gz NZADOTMTNLHKFA-UHFFFAOYSA-N -1 3 302.769 3.016 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCC1=CCCCCC1 ZINC001592699711 1192627161 /nfs/dbraw/zinc/62/71/61/1192627161.db2.gz JDPUBLZSFGSASI-UHFFFAOYSA-N -1 3 308.389 3.431 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCC1=CCCCCC1 ZINC001592699711 1192627163 /nfs/dbraw/zinc/62/71/63/1192627163.db2.gz JDPUBLZSFGSASI-UHFFFAOYSA-N -1 3 308.389 3.431 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592796146 1192627868 /nfs/dbraw/zinc/62/78/68/1192627868.db2.gz UDQMOZNAXYBRMI-KBXRYBNXSA-N -1 3 302.337 3.319 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592796146 1192627869 /nfs/dbraw/zinc/62/78/69/1192627869.db2.gz UDQMOZNAXYBRMI-KBXRYBNXSA-N -1 3 302.337 3.319 20 30 DGEDHM O=C(c1ncoc1[C@H]1CCCO1)N([O-])Cc1ccccc1Cl ZINC001334071491 1178715805 /nfs/dbraw/zinc/71/58/05/1178715805.db2.gz NWFOAJYBOIVMBM-GFCCVEGCSA-N -1 3 322.748 3.211 20 30 DGEDHM C#CC[C@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C1CC1 ZINC001342852666 1179197193 /nfs/dbraw/zinc/19/71/93/1179197193.db2.gz DWYYXDZHTMTZAS-LBPRGKRZSA-N -1 3 304.296 3.459 20 30 DGEDHM CCc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)cc(Cl)n1 ZINC001344864574 1179488452 /nfs/dbraw/zinc/48/84/52/1179488452.db2.gz TVERLBUIVZLZRU-JTQLQIEISA-N -1 3 323.183 3.174 20 30 DGEDHM C=CCCCC(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001602831585 1192999682 /nfs/dbraw/zinc/99/96/82/1192999682.db2.gz CFDPOXIYEUUTTL-UHFFFAOYSA-N -1 3 311.389 3.109 20 30 DGEDHM C=CCCCC(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001602831585 1192999685 /nfs/dbraw/zinc/99/96/85/1192999685.db2.gz CFDPOXIYEUUTTL-UHFFFAOYSA-N -1 3 311.389 3.109 20 30 DGEDHM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])c(C)n1C ZINC001602890963 1193001947 /nfs/dbraw/zinc/00/19/47/1193001947.db2.gz NISGNPGXCDMTOE-UHFFFAOYSA-N -1 3 312.413 3.262 20 30 DGEDHM C=CCOC[C@H](NCc1ccc(Cl)c(C)c1Cl)C(=O)[O-] ZINC001602915369 1193002185 /nfs/dbraw/zinc/00/21/85/1193002185.db2.gz VBYIRDCBAKFTHU-LBPRGKRZSA-N -1 3 318.200 3.047 20 30 DGEDHM C[C@H](ON=Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001603709765 1193026525 /nfs/dbraw/zinc/02/65/25/1193026525.db2.gz GJKLCJYMIPZFPD-NSHDSACASA-N -1 3 311.320 3.118 20 30 DGEDHM C[C@H](ON=Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001603709765 1193026527 /nfs/dbraw/zinc/02/65/27/1193026527.db2.gz GJKLCJYMIPZFPD-NSHDSACASA-N -1 3 311.320 3.118 20 30 DGEDHM CC1(C)CCC[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001603775066 1193030727 /nfs/dbraw/zinc/03/07/27/1193030727.db2.gz UISNLAWOQIUQMV-LBPRGKRZSA-N -1 3 310.405 3.367 20 30 DGEDHM CC1(C)CCC[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001603775066 1193030731 /nfs/dbraw/zinc/03/07/31/1193030731.db2.gz UISNLAWOQIUQMV-LBPRGKRZSA-N -1 3 310.405 3.367 20 30 DGEDHM C[C@@H]1CC[C@@H](C)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001603873749 1193036248 /nfs/dbraw/zinc/03/62/48/1193036248.db2.gz AKGXRQIJCRGQAR-RKDXNWHRSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CC[C@@H](C)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001603873749 1193036251 /nfs/dbraw/zinc/03/62/51/1193036251.db2.gz AKGXRQIJCRGQAR-RKDXNWHRSA-N -1 3 319.800 3.139 20 30 DGEDHM CCCCCCCCCNC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001604175947 1193058123 /nfs/dbraw/zinc/05/81/23/1193058123.db2.gz OSTGMQUWYDKVQD-UHFFFAOYSA-N -1 3 321.450 3.409 20 30 DGEDHM CCCCCCCCCCNc1nnccc1-c1nnn[n-]1 ZINC001604176612 1193059370 /nfs/dbraw/zinc/05/93/70/1193059370.db2.gz VNFBCWUZFGYXTQ-UHFFFAOYSA-N -1 3 303.414 3.209 20 30 DGEDHM CCCCCCCCCCNc1nnccc1-c1nn[n-]n1 ZINC001604176612 1193059374 /nfs/dbraw/zinc/05/93/74/1193059374.db2.gz VNFBCWUZFGYXTQ-UHFFFAOYSA-N -1 3 303.414 3.209 20 30 DGEDHM C[C@H](Cc1cccs1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001604233969 1193062416 /nfs/dbraw/zinc/06/24/16/1193062416.db2.gz JXDXYUGWNTVTNW-GFCCVEGCSA-N -1 3 314.410 3.381 20 30 DGEDHM CCOc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001604464818 1193073828 /nfs/dbraw/zinc/07/38/28/1193073828.db2.gz HGZXEORERHMZCB-DHZHZOJOSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001604464818 1193073830 /nfs/dbraw/zinc/07/38/30/1193073830.db2.gz HGZXEORERHMZCB-DHZHZOJOSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001604464940 1193073913 /nfs/dbraw/zinc/07/39/13/1193073913.db2.gz MUYZGJARQSEEGB-MDZDMXLPSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001604464940 1193073915 /nfs/dbraw/zinc/07/39/15/1193073915.db2.gz MUYZGJARQSEEGB-MDZDMXLPSA-N -1 3 320.352 3.162 20 30 DGEDHM CCCCN([O-])C(=O)c1cc(OCc2ccccc2)ccn1 ZINC001458024769 1182489827 /nfs/dbraw/zinc/48/98/27/1182489827.db2.gz RBAFMKKCDTXZIH-UHFFFAOYSA-N -1 3 300.358 3.292 20 30 DGEDHM CC(C)Oc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccn1 ZINC001458015756 1182490113 /nfs/dbraw/zinc/49/01/13/1182490113.db2.gz GRAYRTWDYRGZRL-UHFFFAOYSA-N -1 3 304.321 3.040 20 30 DGEDHM O=C(c1ccn(CC(F)F)n1)N([O-])CCCCc1ccccc1 ZINC001458009565 1182490133 /nfs/dbraw/zinc/49/01/33/1182490133.db2.gz QTHWFMFOFAHUDG-UHFFFAOYSA-N -1 3 323.343 3.003 20 30 DGEDHM Cc1nsc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])c1C#N ZINC001459427387 1182586051 /nfs/dbraw/zinc/58/60/51/1182586051.db2.gz YYWQZVLPWHAFEA-UHFFFAOYSA-N -1 3 322.733 3.137 20 30 DGEDHM N#CC1(COc2c(-c3nnn[n-]3)ccc3ccccc32)CCC1 ZINC001606343013 1193199459 /nfs/dbraw/zinc/19/94/59/1193199459.db2.gz IZCHOBQIBYPCAC-UHFFFAOYSA-N -1 3 305.341 3.093 20 30 DGEDHM N#CC1(COc2c(-c3nn[n-]n3)ccc3ccccc32)CCC1 ZINC001606343013 1193199463 /nfs/dbraw/zinc/19/94/63/1193199463.db2.gz IZCHOBQIBYPCAC-UHFFFAOYSA-N -1 3 305.341 3.093 20 30 DGEDHM O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001606481853 1193200043 /nfs/dbraw/zinc/20/00/43/1193200043.db2.gz DYLFLGXCKNNRJK-HJWRWDBZSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001606481853 1193200045 /nfs/dbraw/zinc/20/00/45/1193200045.db2.gz DYLFLGXCKNNRJK-HJWRWDBZSA-N -1 3 312.279 3.041 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001606379704 1193200234 /nfs/dbraw/zinc/20/02/34/1193200234.db2.gz JJTJCSMMKQZYEE-HUUCEWRRSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001606379704 1193200237 /nfs/dbraw/zinc/20/02/37/1193200237.db2.gz JJTJCSMMKQZYEE-HUUCEWRRSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cccc(NCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001606381616 1193200383 /nfs/dbraw/zinc/20/03/83/1193200383.db2.gz HZQCCNAVGPPYDI-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1cccc(NCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001606381616 1193200385 /nfs/dbraw/zinc/20/03/85/1193200385.db2.gz HZQCCNAVGPPYDI-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM C=CC(C)(C)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001464766385 1183110415 /nfs/dbraw/zinc/11/04/15/1183110415.db2.gz MEIJICJPEQZBRM-UHFFFAOYSA-N -1 3 308.428 3.053 20 30 DGEDHM N#CCc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC001469414369 1183408189 /nfs/dbraw/zinc/40/81/89/1183408189.db2.gz JOMOHENEYOFRKH-UHFFFAOYSA-N -1 3 300.745 3.042 20 30 DGEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1C#N ZINC001607258229 1193220875 /nfs/dbraw/zinc/22/08/75/1193220875.db2.gz DNKQJWCOXAJVBM-GOSISDBHSA-N -1 3 324.380 3.099 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccc(Br)cc1 ZINC001469732489 1183432962 /nfs/dbraw/zinc/43/29/62/1183432962.db2.gz HTLJCIBYVSJXRH-LLVKDONJSA-N -1 3 312.207 3.394 20 30 DGEDHM O=C(c1n[nH]c2ccc(Cl)cc21)N([O-])Cc1ccc(F)cc1 ZINC001472622634 1183658128 /nfs/dbraw/zinc/65/81/28/1183658128.db2.gz MNVAYZLPDKPZFF-UHFFFAOYSA-N -1 3 319.723 3.387 20 30 DGEDHM C#CCN(Cc1ncc(Br)cc1[O-])C1CCCCC1 ZINC001474340297 1183906108 /nfs/dbraw/zinc/90/61/08/1183906108.db2.gz YCJDKSDNCWEQGJ-UHFFFAOYSA-N -1 3 323.234 3.318 20 30 DGEDHM C=CCC1(C[N-]S(=O)(=O)c2cccnc2Cl)CCCC1 ZINC001475292453 1183996559 /nfs/dbraw/zinc/99/65/59/1183996559.db2.gz BEAAPTYKGNRAQK-UHFFFAOYSA-N -1 3 314.838 3.150 20 30 DGEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)(C)C ZINC001475354000 1183999197 /nfs/dbraw/zinc/99/91/97/1183999197.db2.gz XMIAKESMTMIZPN-LLVKDONJSA-N -1 3 320.241 3.320 20 30 DGEDHM N#Cc1cccc([C@H](N[C@H]2CCc3cc(F)ccc32)C(=O)[O-])c1 ZINC001608215737 1193283998 /nfs/dbraw/zinc/28/39/98/1193283998.db2.gz OMJTVYVFJVTFBH-IRXDYDNUSA-N -1 3 310.328 3.100 20 30 DGEDHM CC(CCC(C)(C)C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001609110943 1193324771 /nfs/dbraw/zinc/32/47/71/1193324771.db2.gz ZXDXIZSHCDHBSB-UHFFFAOYSA-N -1 3 300.410 3.159 20 30 DGEDHM CC(CCC(C)(C)C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001609110943 1193324772 /nfs/dbraw/zinc/32/47/72/1193324772.db2.gz ZXDXIZSHCDHBSB-UHFFFAOYSA-N -1 3 300.410 3.159 20 30 DGEDHM CCCCCN=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001609208295 1193331289 /nfs/dbraw/zinc/33/12/89/1193331289.db2.gz PEQXUNYBJSXECF-UHFFFAOYSA-N -1 3 312.299 3.473 20 30 DGEDHM CCCCCN=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001609208295 1193331292 /nfs/dbraw/zinc/33/12/92/1193331292.db2.gz PEQXUNYBJSXECF-UHFFFAOYSA-N -1 3 312.299 3.473 20 30 DGEDHM CCCCCCCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001609209096 1193331488 /nfs/dbraw/zinc/33/14/88/1193331488.db2.gz LFKUXKDLKSTAEI-UHFFFAOYSA-N -1 3 312.377 3.430 20 30 DGEDHM CCCCCCCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001609209096 1193331489 /nfs/dbraw/zinc/33/14/89/1193331489.db2.gz LFKUXKDLKSTAEI-UHFFFAOYSA-N -1 3 312.377 3.430 20 30 DGEDHM FCCC[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609486881 1193342118 /nfs/dbraw/zinc/34/21/18/1193342118.db2.gz HZVRFFDBKGJEJN-LLVKDONJSA-N -1 3 302.357 3.184 20 30 DGEDHM FCCC[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609486881 1193342121 /nfs/dbraw/zinc/34/21/21/1193342121.db2.gz HZVRFFDBKGJEJN-LLVKDONJSA-N -1 3 302.357 3.184 20 30 DGEDHM COc1cc(C#N)ccc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC001546343401 1186692019 /nfs/dbraw/zinc/69/20/19/1186692019.db2.gz QDPUZTPVBXMQOO-UHFFFAOYSA-N -1 3 316.744 3.487 20 30 DGEDHM CCCCN([O-])C(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001611658066 1193439106 /nfs/dbraw/zinc/43/91/06/1193439106.db2.gz SXOWGUZJHVLIAM-UHFFFAOYSA-N -1 3 309.366 3.060 20 30 DGEDHM COC[C@@H](C)[C@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001611662338 1193439344 /nfs/dbraw/zinc/43/93/44/1193439344.db2.gz DDWMSSWXDFVSKI-KGLIPLIRSA-N -1 3 301.386 3.476 20 30 DGEDHM N#Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)co1 ZINC001611642441 1193439505 /nfs/dbraw/zinc/43/95/05/1193439505.db2.gz QNQIGHWARLPCAU-UHFFFAOYSA-N -1 3 311.124 3.490 20 30 DGEDHM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1cccc(F)n1 ZINC001524703122 1187262523 /nfs/dbraw/zinc/26/25/23/1187262523.db2.gz AGTXJTFJDFSDBB-YXVBKTCISA-N -1 3 318.311 3.054 20 30 DGEDHM CSc1ccc([O-])c(C(=O)NCc2ccc(C)c(C#N)c2)c1 ZINC001558265595 1189113391 /nfs/dbraw/zinc/11/33/91/1189113391.db2.gz OFDAXZGXBSIUSR-UHFFFAOYSA-N -1 3 312.394 3.224 20 30 DGEDHM O=C([C@H]1CSCCS1)N([O-])CCCCc1ccccc1 ZINC001559034039 1189164101 /nfs/dbraw/zinc/16/41/01/1189164101.db2.gz KDFNXWDDZMQLSI-CQSZACIVSA-N -1 3 311.472 3.076 20 30 DGEDHM CCCCN([O-])C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001559035044 1189164636 /nfs/dbraw/zinc/16/46/36/1189164636.db2.gz ABYQCBSUNQYDEL-UHFFFAOYSA-N -1 3 300.742 3.199 20 30 DGEDHM CCCCN([O-])C(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC001559035287 1189164811 /nfs/dbraw/zinc/16/48/11/1189164811.db2.gz KPDKXZYXPSEXNS-UHFFFAOYSA-N -1 3 307.781 3.466 20 30 DGEDHM CCCCN([O-])C(=O)c1cnn(C(C)(C)C)c1Br ZINC001559035132 1189164871 /nfs/dbraw/zinc/16/48/71/1189164871.db2.gz DBAWWDDWOMKALG-UHFFFAOYSA-N -1 3 318.215 3.032 20 30 DGEDHM O=C(CCc1ccc(F)cc1F)N([O-])Cc1ccc(F)cc1 ZINC001559036952 1189164910 /nfs/dbraw/zinc/16/49/10/1189164910.db2.gz CTCGMQKOFBHBQW-UHFFFAOYSA-N -1 3 309.287 3.455 20 30 DGEDHM N#Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC001570458095 1190863027 /nfs/dbraw/zinc/86/30/27/1190863027.db2.gz BDDLBBUONSPBCL-UHFFFAOYSA-N -1 3 308.362 3.409 20 30 DGEDHM Cc1ccc([O-])c(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)c1 ZINC001628456012 1194179484 /nfs/dbraw/zinc/17/94/84/1194179484.db2.gz UIPKTNFWMXGZTO-UHFFFAOYSA-N -1 3 306.325 3.009 20 30 DGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001628527517 1194183008 /nfs/dbraw/zinc/18/30/08/1194183008.db2.gz DPXVUYYKMKJKIW-HOTGVXAUSA-N -1 3 322.364 3.010 20 30 DGEDHM C=CCCC(C)(C)CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001631655659 1194348527 /nfs/dbraw/zinc/34/85/27/1194348527.db2.gz LLEMEPXQGNXPEP-UHFFFAOYSA-N -1 3 304.390 3.073 20 30 DGEDHM C=CCCC(C)(C)CNC(=O)c1cc(NC(=O)C=C)ccc1[O-] ZINC001635203860 1194538055 /nfs/dbraw/zinc/53/80/55/1194538055.db2.gz CWSJDPDMYKDIHI-UHFFFAOYSA-N -1 3 316.401 3.239 20 30 DGEDHM CC(C)C1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)COC1 ZINC001639041399 1194747991 /nfs/dbraw/zinc/74/79/91/1194747991.db2.gz ZQBGIYAHZHXRMA-UHFFFAOYSA-N -1 3 318.200 3.384 20 30 DGEDHM CCCCN([O-])C(=O)CCNc1cc(Cl)ccc1OC ZINC001639067290 1194749230 /nfs/dbraw/zinc/74/92/30/1194749230.db2.gz RQKJAQUGKNJEGG-UHFFFAOYSA-N -1 3 300.786 3.169 20 30 DGEDHM O=C(c1cc(C2CC2)no1)N([O-])CCCCc1ccccc1 ZINC001639062100 1194749379 /nfs/dbraw/zinc/74/93/79/1194749379.db2.gz AOZBOVNEESMJDU-UHFFFAOYSA-N -1 3 300.358 3.406 20 30 DGEDHM C[C@@H](CC(=O)N([O-])CCCCc1ccccc1)[C@H]1CCCO1 ZINC001639062198 1194749507 /nfs/dbraw/zinc/74/95/07/1194749507.db2.gz FHRQUKSKIFZJJN-DOTOQJQBSA-N -1 3 305.418 3.432 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C ZINC001639071596 1194749825 /nfs/dbraw/zinc/74/98/25/1194749825.db2.gz CZPGVLKXNMSUFK-ZDUSSCGKSA-N -1 3 316.442 3.334 20 30 DGEDHM N#Cc1cccc([N+](=O)[O-])c1[N-]c1ccn(-c2ccccc2)n1 ZINC001640435338 1194813024 /nfs/dbraw/zinc/81/30/24/1194813024.db2.gz WCIOVSKFHQIBFF-UHFFFAOYSA-N -1 3 305.297 3.396 20 30 DGEDHM CCCCCCN(O)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001641867385 1194875649 /nfs/dbraw/zinc/87/56/49/1194875649.db2.gz DXMFRPFQRFGURM-UHFFFAOYSA-N -1 3 324.327 3.218 20 30 DGEDHM O=C(c1cccc2nsnc21)N([O-])Cc1ccccc1Cl ZINC001641861840 1194875904 /nfs/dbraw/zinc/87/59/04/1194875904.db2.gz HJCVWIUGCCULGD-UHFFFAOYSA-N -1 3 319.773 3.376 20 30 DGEDHM CC(C)(C)N1CC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001641865242 1194876143 /nfs/dbraw/zinc/87/61/43/1194876143.db2.gz YBNONXAAQHDBBF-INIZCTEOSA-N -1 3 304.434 3.100 20 30 DGEDHM C[C@H](c1cccc(C#N)c1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001648217829 1195284790 /nfs/dbraw/zinc/28/47/90/1195284790.db2.gz GHMDGELRPPEVCL-LLVKDONJSA-N -1 3 306.369 3.008 20 30 DGEDHM N#Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)o1 ZINC001651212403 1195426687 /nfs/dbraw/zinc/42/66/87/1195426687.db2.gz PUDQJZJWXGWTOZ-UHFFFAOYSA-N -1 3 311.124 3.490 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cc(-c2cccc(O)c2)on1 ZINC001651229158 1195428536 /nfs/dbraw/zinc/42/85/36/1195428536.db2.gz FNVXVKNWSJYLIP-UHFFFAOYSA-N -1 3 304.346 3.459 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC001651228217 1195428835 /nfs/dbraw/zinc/42/88/35/1195428835.db2.gz ZKJPBPBFMHYCHN-UHFFFAOYSA-N -1 3 319.380 3.352 20 30 DGEDHM CCCCN([O-])C(=O)[C@@]1(CC)CCN(C(=O)OC(C)(C)C)C1 ZINC001651229288 1195429369 /nfs/dbraw/zinc/42/93/69/1195429369.db2.gz KIIZZPJUNJLLBQ-INIZCTEOSA-N -1 3 314.426 3.042 20 30 DGEDHM CCSc1c[nH]c(=O)c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001654828949 1195845803 /nfs/dbraw/zinc/84/58/03/1195845803.db2.gz NEYKXBHFARIBDG-UHFFFAOYSA-N -1 3 322.361 3.070 20 30 DGEDHM CC(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(F)c1 ZINC001654828638 1195845929 /nfs/dbraw/zinc/84/59/29/1195845929.db2.gz APNMPTJHMKYENX-UHFFFAOYSA-N -1 3 305.280 3.199 20 30 DGEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001664640726 1197025138 /nfs/dbraw/zinc/02/51/38/1197025138.db2.gz DRKJKQLHUKHDRL-UHFFFAOYSA-N -1 3 303.374 3.154 20 30 DGEDHM N#CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000081298605 1197198234 /nfs/dbraw/zinc/19/82/34/1197198234.db2.gz KGQHJTJNXMVPDP-UHFFFAOYSA-N -1 3 324.764 3.346 20 30 DGEDHM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC001666589598 1197271142 /nfs/dbraw/zinc/27/11/42/1197271142.db2.gz AHUYZNINHHQNPG-ZDUSSCGKSA-N -1 3 313.467 3.060 20 30 DGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001668885981 1197433269 /nfs/dbraw/zinc/43/32/69/1197433269.db2.gz UIJSZTUMVQDFAJ-ZDUSSCGKSA-N -1 3 322.455 3.443 20 30 DGEDHM Cc1csc(NC(=O)NCc2c([O-])cccc2F)c1C#N ZINC001677355854 1198521841 /nfs/dbraw/zinc/52/18/41/1198521841.db2.gz GSGOQZHGBYYCPM-UHFFFAOYSA-N -1 3 305.334 3.095 20 30 DGEDHM C=C1CCC(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573296631 947052876 /nfs/dbraw/zinc/05/28/76/947052876.db2.gz UWKXDCSDQOANQA-LBPRGKRZSA-N -1 3 312.373 3.217 20 30 DGEDHM C=C1CCC(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573296631 947052888 /nfs/dbraw/zinc/05/28/88/947052888.db2.gz UWKXDCSDQOANQA-LBPRGKRZSA-N -1 3 312.373 3.217 20 30 DGEDHM C=CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001588469628 958519239 /nfs/dbraw/zinc/51/92/39/958519239.db2.gz PGUMLKSDRLZWNV-GOSISDBHSA-N -1 3 311.381 3.475 20 30 DGEDHM C[C@@](NCc1cc(Cl)cc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001603248618 972413710 /nfs/dbraw/zinc/41/37/10/972413710.db2.gz KALQPUFKTMFZOH-KRWDZBQOSA-N -1 3 314.772 3.301 20 30 DGEDHM C#CCC1(NCc2cc(C(=O)[O-])ccc2Br)CCC1 ZINC001573304186 962686548 /nfs/dbraw/zinc/68/65/48/962686548.db2.gz ZEGBFMHOIDIHHF-UHFFFAOYSA-N -1 3 322.202 3.183 20 30 DGEDHM C=C[C@H](C(=O)[O-])N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001588664443 983800358 /nfs/dbraw/zinc/80/03/58/983800358.db2.gz VTBYTRASLHYBIV-TZMCWYRMSA-N -1 3 317.282 3.215 20 30 DGEDHM CC(C)(NCc1ccc(OCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC001590872631 990780687 /nfs/dbraw/zinc/78/06/87/990780687.db2.gz KMVLHALISMFDEC-UHFFFAOYSA-N -1 3 324.380 3.047 20 30 DGEDHM CSCc1cccnc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001639078199 1194749964 /nfs/dbraw/zinc/74/99/64/1194749964.db2.gz CAYHAWKXTUQUNI-UHFFFAOYSA-N -1 3 306.362 3.115 20 30 DGEDHM Cc1cc(CN2CCCC[C@@H]2C#N)c([O-])cc1Br ZINC001250128805 1105449355 /nfs/dbraw/zinc/44/93/55/1105449355.db2.gz KWQZBYNGXLHWHN-GFCCVEGCSA-N -1 3 309.207 3.341 20 30 DGEDHM N#Cc1cnc(Nc2cc([O-])cc(F)c2)c(Br)c1 ZINC001206760638 1081597554 /nfs/dbraw/zinc/59/75/54/1081597554.db2.gz WSIBHBUNFIQCAP-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM N#CC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCCCC1 ZINC000040364965 1081794853 /nfs/dbraw/zinc/79/48/53/1081794853.db2.gz AVPCJTIJIOBXOR-UHFFFAOYSA-N -1 3 318.851 3.296 20 30 DGEDHM CN(C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000005288891 1082409232 /nfs/dbraw/zinc/40/92/32/1082409232.db2.gz ZFCYYDRHCVDVSA-GYKGCMEESA-N -1 3 313.357 3.022 20 30 DGEDHM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000092131086 1082583632 /nfs/dbraw/zinc/58/36/32/1082583632.db2.gz ZQJHCSQFZNULRD-UHFFFAOYSA-N -1 3 324.764 3.346 20 30 DGEDHM COc1cc([N-]C(=O)c2nc(Cl)cs2)c(F)cc1C#N ZINC001131704870 1082707090 /nfs/dbraw/zinc/70/70/90/1082707090.db2.gz OGTBCUTXMLZNOS-UHFFFAOYSA-N -1 3 311.725 3.068 20 30 DGEDHM Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001167708971 1083143003 /nfs/dbraw/zinc/14/30/03/1083143003.db2.gz GOHRAEVXJOPVDB-LBPRGKRZSA-N -1 3 304.357 3.220 20 30 DGEDHM Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001167708971 1083143005 /nfs/dbraw/zinc/14/30/05/1083143005.db2.gz GOHRAEVXJOPVDB-LBPRGKRZSA-N -1 3 304.357 3.220 20 30 DGEDHM COc1ccc(CCCC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001181216225 1083434424 /nfs/dbraw/zinc/43/44/24/1083434424.db2.gz QWVDMEJISIIJDZ-UHFFFAOYSA-N -1 3 310.353 3.234 20 30 DGEDHM CC(=O)c1cccc([O-])c1NC(=O)CCc1cccc(C#N)c1 ZINC001182344113 1083692874 /nfs/dbraw/zinc/69/28/74/1083692874.db2.gz MGNISUFQKOTGGZ-UHFFFAOYSA-N -1 3 308.337 3.038 20 30 DGEDHM N#Cc1cc(NC(=O)Cc2c[nH]c3ccc(F)cc23)ccc1[O-] ZINC001183355611 1083924648 /nfs/dbraw/zinc/92/46/48/1083924648.db2.gz WJWSKJVAPXEDGH-UHFFFAOYSA-N -1 3 309.300 3.065 20 30 DGEDHM COc1ccccc1SCC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001183825649 1084046523 /nfs/dbraw/zinc/04/65/23/1084046523.db2.gz KMSDTMMYVJSZSJ-UHFFFAOYSA-N -1 3 314.366 3.003 20 30 DGEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1c(F)cc(F)cc1F ZINC001186059235 1084585237 /nfs/dbraw/zinc/58/52/37/1084585237.db2.gz BAVBHERLKDWQMP-UHFFFAOYSA-N -1 3 307.231 3.325 20 30 DGEDHM N#C[C@@H](Oc1ncc(Br)cc1[O-])c1cccc(F)c1 ZINC001228957370 1087022438 /nfs/dbraw/zinc/02/24/38/1087022438.db2.gz VHSHIQYKLHGARS-GFCCVEGCSA-N -1 3 323.121 3.332 20 30 DGEDHM COC(=O)c1sc(Nc2ccc([O-])c(F)c2F)c(C#N)c1C ZINC001212000031 1087130169 /nfs/dbraw/zinc/13/01/69/1087130169.db2.gz IPHHVLUMXOGPCX-UHFFFAOYSA-N -1 3 324.308 3.442 20 30 DGEDHM N#Cc1sccc1[N-]C(=O)c1cc2c(Cl)cc[nH]c-2n1 ZINC001153017547 1088141386 /nfs/dbraw/zinc/14/13/86/1088141386.db2.gz PHWOAXPEWJQHSJ-UHFFFAOYSA-N -1 3 302.746 3.402 20 30 DGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc2ccncc2cn1 ZINC001153067267 1088156217 /nfs/dbraw/zinc/15/62/17/1088156217.db2.gz RTQHYVDETHHYTH-UHFFFAOYSA-N -1 3 314.304 3.500 20 30 DGEDHM Cc1cccc2c(C(=O)Nc3ccc([O-])c(C#N)c3)ccnc12 ZINC001154035322 1088449560 /nfs/dbraw/zinc/44/95/60/1088449560.db2.gz AVVMCVXTFCSLKV-UHFFFAOYSA-N -1 3 303.321 3.373 20 30 DGEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)ccc1-c1ccccc1 ZINC001160174750 1088686448 /nfs/dbraw/zinc/68/64/48/1088686448.db2.gz MCXSCIISMLBAID-HZMBPMFUSA-N -1 3 317.776 3.050 20 30 DGEDHM CC(C)[C@@H](C#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001154993114 1088881322 /nfs/dbraw/zinc/88/13/22/1088881322.db2.gz MNROQZIPEYKFJW-GOSISDBHSA-N -1 3 322.408 3.455 20 30 DGEDHM C#C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(C)C ZINC001156085453 1089379183 /nfs/dbraw/zinc/37/91/83/1089379183.db2.gz XUCUJPJBLUQDQM-GOSISDBHSA-N -1 3 307.393 3.371 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 ZINC001161826843 1089427195 /nfs/dbraw/zinc/42/71/95/1089427195.db2.gz MXHDUJFJKGSBQX-KRWDZBQOSA-N -1 3 320.433 3.360 20 30 DGEDHM CCC(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001161842313 1089434455 /nfs/dbraw/zinc/43/44/55/1089434455.db2.gz ANASAXBQTBWSKN-UHFFFAOYSA-N -1 3 301.317 3.450 20 30 DGEDHM C=CCN(c1nc(Cl)nc2[n-]c(C(=O)OC)cc21)C(C)(C)C ZINC001157584837 1090039766 /nfs/dbraw/zinc/03/97/66/1090039766.db2.gz LVFLMIYTWIUNAL-UHFFFAOYSA-N -1 3 322.796 3.189 20 30 DGEDHM C#Cc1ccc(NC(=O)c2cccc(OC)c2[O-])c(Cl)c1 ZINC001157893565 1090146156 /nfs/dbraw/zinc/14/61/56/1090146156.db2.gz MSODIQLLTUCBPZ-UHFFFAOYSA-N -1 3 301.729 3.288 20 30 DGEDHM [O-]/N=C/c1cccc(NCCc2nc(-c3ccccc3)no2)c1 ZINC001164100830 1090342688 /nfs/dbraw/zinc/34/26/88/1090342688.db2.gz ITZBPXLOUOTWBR-XDHOZWIPSA-N -1 3 308.341 3.199 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1nc(-c2ccccc2)no1 ZINC001649051858 1090578188 /nfs/dbraw/zinc/57/81/88/1090578188.db2.gz IYHBTGKTKJCOLY-UHFFFAOYSA-N -1 3 317.389 3.467 20 30 DGEDHM CCCCN([O-])C(=O)c1nn(-c2ccccc2Cl)cc1C ZINC001649061115 1090584000 /nfs/dbraw/zinc/58/40/00/1090584000.db2.gz HIVQJZOYYYOXPP-UHFFFAOYSA-N -1 3 307.781 3.466 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C ZINC001649061269 1090584367 /nfs/dbraw/zinc/58/43/67/1090584367.db2.gz JPVYNBHZYVKVRG-OLZOCXBDSA-N -1 3 316.442 3.334 20 30 DGEDHM C=CCOc1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001649075910 1090589339 /nfs/dbraw/zinc/58/93/39/1090589339.db2.gz JNNZYTVFPVPKRN-UHFFFAOYSA-N -1 3 315.344 3.351 20 30 DGEDHM O=C(Cc1cccc2ncccc12)N([O-])Cc1ccc(F)cc1 ZINC001649076447 1090590259 /nfs/dbraw/zinc/59/02/59/1090590259.db2.gz WEIMVFURFJYMLE-UHFFFAOYSA-N -1 3 310.328 3.334 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC[C@H](C)[C@H]2C)n1 ZINC001166611174 1090629231 /nfs/dbraw/zinc/62/92/31/1090629231.db2.gz RPKNMPOFVKSGQB-YMSAWUHUSA-N -1 3 314.842 3.285 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(C#N)c(F)c1 ZINC001204076317 1090893109 /nfs/dbraw/zinc/89/31/09/1090893109.db2.gz HTGHTXKGFFLILT-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC=C(Nc2cc(C#N)ccc2[O-])C1 ZINC001205247476 1091148149 /nfs/dbraw/zinc/14/81/49/1091148149.db2.gz VNYRQBSPXMMXNC-UHFFFAOYSA-N -1 3 315.373 3.200 20 30 DGEDHM CCOC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])c(OC)c1 ZINC001214545863 1093796166 /nfs/dbraw/zinc/79/61/66/1093796166.db2.gz BFLRIHVKGOPGRH-UHFFFAOYSA-N -1 3 312.325 3.193 20 30 DGEDHM CCOC(=O)c1nc(C2CC2)oc1[N-]c1cc(C#N)ccc1F ZINC001214594009 1093810100 /nfs/dbraw/zinc/81/01/00/1093810100.db2.gz YDNJZDHHEGJDSF-UHFFFAOYSA-N -1 3 315.304 3.483 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001134941163 1094340668 /nfs/dbraw/zinc/34/06/68/1094340668.db2.gz VKXYGOHRIHVFDD-UHFFFAOYSA-N -1 3 315.373 3.280 20 30 DGEDHM [O-]c1ccccc1N=CC=Nc1ccccc1OC1CC(O)C1 ZINC001218257679 1094685206 /nfs/dbraw/zinc/68/52/06/1094685206.db2.gz VVNHYGNDNLKNQQ-UHFFFAOYSA-N -1 3 310.353 3.399 20 30 DGEDHM C=C[C@H]1C[C@@]1(Nc1[n-]c(=O)c(Cl)cc1Cl)C(=O)OCC ZINC001170917917 1094924811 /nfs/dbraw/zinc/92/48/11/1094924811.db2.gz UBRGCVPYZQAAMO-CPFSXVBKSA-N -1 3 317.172 3.014 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1cccc(F)n1 ZINC001122637979 1095023085 /nfs/dbraw/zinc/02/30/85/1095023085.db2.gz VQECZFQUHUGXIY-MALLOTDXSA-N -1 3 301.708 3.159 20 30 DGEDHM N#CC(=C([O-])c1cnn(CC2CCCC2)c1)c1cccc(F)n1 ZINC001122735599 1095053230 /nfs/dbraw/zinc/05/32/30/1095053230.db2.gz MYJDGDSXLJAKFI-AWEZNQCLSA-N -1 3 312.348 3.097 20 30 DGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@@H]3C)n2C)c1[O-] ZINC001338685595 1095362677 /nfs/dbraw/zinc/36/26/77/1095362677.db2.gz BZPCGGWZAPJNMI-ZDUSSCGKSA-N -1 3 312.417 3.295 20 30 DGEDHM N=C(Nc1ccccc1C(=O)[O-])c1ccc2cc(O)ccc2c1 ZINC001171184256 1095663148 /nfs/dbraw/zinc/66/31/48/1095663148.db2.gz HDEXYLJGBDIUSU-UHFFFAOYSA-N -1 3 306.321 3.281 20 30 DGEDHM N#Cc1c[nH]c2cc(NC(=O)Cc3ccc([O-])c(F)c3)ccc12 ZINC001144631213 1095745208 /nfs/dbraw/zinc/74/52/08/1095745208.db2.gz LKWUTYPWXZRVDN-UHFFFAOYSA-N -1 3 309.300 3.065 20 30 DGEDHM C=CCOc1ccc(C(=O)Nc2c([O-])cccc2C(C)=O)cc1 ZINC001148463583 1096372130 /nfs/dbraw/zinc/37/21/30/1096372130.db2.gz GVHPOZHEFMZRKQ-UHFFFAOYSA-N -1 3 311.337 3.412 20 30 DGEDHM C#CCOc1ccc(F)cc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001148499304 1096388243 /nfs/dbraw/zinc/38/82/43/1096388243.db2.gz CRWXBFLXNZRGGT-UHFFFAOYSA-N -1 3 313.328 3.412 20 30 DGEDHM N#Cc1cc(NC(=O)c2ccc(-n3cccc3)cc2)ccc1[O-] ZINC001148694091 1096421468 /nfs/dbraw/zinc/42/14/68/1096421468.db2.gz WABJJJBQDXXVGU-UHFFFAOYSA-N -1 3 303.321 3.307 20 30 DGEDHM C#CC[C@H](C)Oc1cc(C)cc([O-])c1I ZINC001225511827 1096454435 /nfs/dbraw/zinc/45/44/35/1096454435.db2.gz VLQHNFZEASPICX-VIFPVBQESA-N -1 3 316.138 3.096 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCCN(c3ccccc3)C2)[n-]1 ZINC001225470738 1096441297 /nfs/dbraw/zinc/44/12/97/1096441297.db2.gz ZQYOFQBMNAJHPD-HNNXBMFYSA-N -1 3 309.369 3.015 20 30 DGEDHM Cc1nc(NC(=O)c2ccc(C(C)(C)CCC#N)cc2)cc(=O)[n-]1 ZINC001148901406 1096463602 /nfs/dbraw/zinc/46/36/02/1096463602.db2.gz ZKTUJLJYBVGANR-UHFFFAOYSA-N -1 3 324.384 3.324 20 30 DGEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cccc(-c2ccccc2Cl)n1 ZINC001171365399 1096531099 /nfs/dbraw/zinc/53/10/99/1096531099.db2.gz UOYLSRSDPATZRO-BONVTDFDSA-N -1 3 317.776 3.050 20 30 DGEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ncc2C(=O)OCC)C1 ZINC001225899982 1096558447 /nfs/dbraw/zinc/55/84/47/1096558447.db2.gz WFQKIPVZZGXQQE-TZMCWYRMSA-N -1 3 318.373 3.039 20 30 DGEDHM N#C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1cccc(F)c1 ZINC001226121123 1096618139 /nfs/dbraw/zinc/61/81/39/1096618139.db2.gz ZYYYNQUPFFOFCY-ZDUSSCGKSA-N -1 3 301.346 3.425 20 30 DGEDHM C=CCOc1ccccc1[C@H](C)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226238457 1096644061 /nfs/dbraw/zinc/64/40/61/1096644061.db2.gz SHSAOFKRCHUHSF-LBPRGKRZSA-N -1 3 314.341 3.090 20 30 DGEDHM CC(=O)c1ccc([O-])c(O[C@H](C#N)c2ccccc2F)c1O ZINC001226486774 1096702968 /nfs/dbraw/zinc/70/29/68/1096702968.db2.gz XTFPXJFNHRAREZ-CQSZACIVSA-N -1 3 301.273 3.083 20 30 DGEDHM N#Cc1ccc([O-])c(OC[C@H]2CCC(c3ccccc3)=NO2)c1 ZINC001227353612 1096920244 /nfs/dbraw/zinc/92/02/44/1096920244.db2.gz YHQCPIDVOMKOIT-OAHLLOKOSA-N -1 3 308.337 3.226 20 30 DGEDHM C=CCCCCCC[C@@H](C)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227430936 1096931283 /nfs/dbraw/zinc/93/12/83/1096931283.db2.gz PYMKNSFUJRGOBO-SNVBAGLBSA-N -1 3 306.366 3.058 20 30 DGEDHM C=CCCCCCC[C@@H](C)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227430936 1096931286 /nfs/dbraw/zinc/93/12/86/1096931286.db2.gz PYMKNSFUJRGOBO-SNVBAGLBSA-N -1 3 306.366 3.058 20 30 DGEDHM C[C@H](c1ccccn1)N1CCC[C@H](Oc2cc([O-])ccc2C#N)C1 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3.070 20 30 DGEDHM C=CCOc1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000156865377 197146587 /nfs/dbraw/zinc/14/65/87/197146587.db2.gz IRAOZQHJLYXBNB-UHFFFAOYSA-N -1 3 304.268 3.257 20 30 DGEDHM C=CCOc1cccc(NC(=O)[N-]OCCC(F)(F)F)c1 ZINC000156865377 197146588 /nfs/dbraw/zinc/14/65/88/197146588.db2.gz IRAOZQHJLYXBNB-UHFFFAOYSA-N -1 3 304.268 3.257 20 30 DGEDHM COc1cc(C(=O)N[C@@H](CCC#N)c2ccccc2)ccc1[O-] ZINC000442801405 533545421 /nfs/dbraw/zinc/54/54/21/533545421.db2.gz ONOBWRXWOYCDMV-HNNXBMFYSA-N -1 3 310.353 3.176 20 30 DGEDHM CCOC(=O)c1sc([N-]C(=O)c2ccc(C)o2)c(C#N)c1C ZINC000006046998 400090876 /nfs/dbraw/zinc/09/08/76/400090876.db2.gz NILLAWZYWJCLCJ-UHFFFAOYSA-N -1 3 318.354 3.259 20 30 DGEDHM C=CCCc1noc(-c2ccc([N-]S(=O)(=O)CCC)cc2)n1 ZINC000297448879 400099293 /nfs/dbraw/zinc/09/92/93/400099293.db2.gz WUHDMQHSOQDMOA-UHFFFAOYSA-N -1 3 321.402 3.007 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc3c2OCC3(C)C)nc(C)n1 ZINC000581763930 400083310 /nfs/dbraw/zinc/08/33/10/400083310.db2.gz UUWODYTUPIVSES-AWEZNQCLSA-N -1 3 321.380 3.254 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588099535 400189044 /nfs/dbraw/zinc/18/90/44/400189044.db2.gz ZAWCJGMOLHDJSX-OAHLLOKOSA-N -1 3 311.765 3.373 20 30 DGEDHM N#Cc1cc(-c2ccc(N[C@H]3CCCC[C@@H]3O)nc2)ccc1[O-] ZINC000600779609 400150804 /nfs/dbraw/zinc/15/08/04/400150804.db2.gz HHAILRPDRBXWMJ-RDJZCZTQSA-N -1 3 309.369 3.041 20 30 DGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000092353184 400168059 /nfs/dbraw/zinc/16/80/59/400168059.db2.gz WQWJCHQYHSFJKK-UHFFFAOYSA-N -1 3 312.410 3.108 20 30 DGEDHM Cc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)o1 ZINC000350807116 400225101 /nfs/dbraw/zinc/22/51/01/400225101.db2.gz GFXZISJCKLUJBH-UHFFFAOYSA-N -1 3 324.340 3.012 20 30 DGEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)co1 ZINC000588816534 400232249 /nfs/dbraw/zinc/23/22/49/400232249.db2.gz WLXSRKVUCGKXPW-MRVPVSSYSA-N -1 3 301.371 3.293 20 30 DGEDHM Cc1conc1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000601130019 400242921 /nfs/dbraw/zinc/24/29/21/400242921.db2.gz ZXAUZMMEMSRHSR-JTQLQIEISA-N -1 3 301.371 3.487 20 30 DGEDHM CCc1cc(C(=O)NCc2ccc(C#N)c(Cl)c2)ccc1[O-] ZINC000589854427 400333731 /nfs/dbraw/zinc/33/37/31/400333731.db2.gz VICYQQQCYDOOBC-UHFFFAOYSA-N -1 3 314.772 3.410 20 30 DGEDHM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000579256763 400337385 /nfs/dbraw/zinc/33/73/85/400337385.db2.gz FVIQHTXJCOBTMH-CYBMUJFWSA-N -1 3 321.384 3.447 20 30 DGEDHM N#CC1(Cc2nc(-c3ccc4n[n-]nc4c3)no2)CCCCC1 ZINC000596597571 400454227 /nfs/dbraw/zinc/45/42/27/400454227.db2.gz CALMLEUWWXLNTD-UHFFFAOYSA-N -1 3 308.345 3.024 20 30 DGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000076937282 400680744 /nfs/dbraw/zinc/68/07/44/400680744.db2.gz WMPFLFYPTFGRIO-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM N#CC[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000597903940 400691659 /nfs/dbraw/zinc/69/16/59/400691659.db2.gz AMFVTEDNUFLEAL-CQSZACIVSA-N -1 3 304.365 3.006 20 30 DGEDHM Cc1cc(C)cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000078380234 400795235 /nfs/dbraw/zinc/79/52/35/400795235.db2.gz GJBKRIALGIFRTI-HNNXBMFYSA-N -1 3 308.385 3.111 20 30 DGEDHM C=CCCSCCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598768392 400875403 /nfs/dbraw/zinc/87/54/03/400875403.db2.gz MRHQEOFABDEUHH-UHFFFAOYSA-N -1 3 319.348 3.450 20 30 DGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCCC1 ZINC000230339451 400968718 /nfs/dbraw/zinc/96/87/18/400968718.db2.gz ROVHABLGULDNEW-ZDUSSCGKSA-N -1 3 312.460 3.257 20 30 DGEDHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000599335672 401024994 /nfs/dbraw/zinc/02/49/94/401024994.db2.gz CRXYKSSTIKVBQN-UHFFFAOYSA-N -1 3 322.421 3.061 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C)c(F)c2F)nc(C)n1 ZINC000633900300 401141299 /nfs/dbraw/zinc/14/12/99/401141299.db2.gz PCGHMUWLUZPBOV-GFCCVEGCSA-N -1 3 301.296 3.170 20 30 DGEDHM Cc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000060952691 401141965 /nfs/dbraw/zinc/14/19/65/401141965.db2.gz QVZPPVDMXMULIM-UHFFFAOYSA-N -1 3 324.380 3.018 20 30 DGEDHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1C#N ZINC000137187015 432173173 /nfs/dbraw/zinc/17/31/73/432173173.db2.gz GVTDJAMTLUHAMP-UHFFFAOYSA-N -1 3 306.774 3.321 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190941770 432203618 /nfs/dbraw/zinc/20/36/18/432203618.db2.gz XOTIDAYVLYELRS-CQSZACIVSA-N -1 3 303.321 3.128 20 30 DGEDHM CCN(CC(C)(C)C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000291209528 222226275 /nfs/dbraw/zinc/22/62/75/222226275.db2.gz OAGWWHAUFHNNTC-UHFFFAOYSA-N -1 3 317.433 3.103 20 30 DGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000166123747 228266797 /nfs/dbraw/zinc/26/67/97/228266797.db2.gz MQLZOLRGKRUSPF-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(-c3cnco3)cc2)nc(C)n1 ZINC000342847659 229118730 /nfs/dbraw/zinc/11/87/30/229118730.db2.gz AXLJGRUMXOOJTC-HNNXBMFYSA-N -1 3 318.336 3.239 20 30 DGEDHM COc1c(F)cc(F)cc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000350806200 264663708 /nfs/dbraw/zinc/66/37/08/264663708.db2.gz NHXBVXOWJPJZRL-UHFFFAOYSA-N -1 3 324.233 3.376 20 30 DGEDHM CCSc1nccnc1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000362339662 266349142 /nfs/dbraw/zinc/34/91/42/266349142.db2.gz MEOYJYCBOXSYEY-UHFFFAOYSA-N -1 3 318.427 3.391 20 30 DGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)(C)C ZINC000503488337 267196457 /nfs/dbraw/zinc/19/64/57/267196457.db2.gz MQGGOFQBQSWALI-CYBMUJFWSA-N -1 3 314.838 3.315 20 30 DGEDHM N#Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000352192671 268072465 /nfs/dbraw/zinc/07/24/65/268072465.db2.gz WZXCPKSYOOOEOS-UHFFFAOYSA-N -1 3 302.333 3.347 20 30 DGEDHM N#Cc1cccc(F)c1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000354509761 268259205 /nfs/dbraw/zinc/25/92/05/268259205.db2.gz YMSJXGQLZGLJNS-UHFFFAOYSA-N -1 3 304.708 3.238 20 30 DGEDHM N#Cc1cc2c(nc1[N-]C(=O)c1nc(Cl)cs1)CCCC2 ZINC000280445853 279508882 /nfs/dbraw/zinc/50/88/82/279508882.db2.gz KXGQIYUZKRVEOH-UHFFFAOYSA-N -1 3 318.789 3.194 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(F)c1 ZINC000070431900 431248007 /nfs/dbraw/zinc/24/80/07/431248007.db2.gz BEXJKBISJGWRBK-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000070431827 431249926 /nfs/dbraw/zinc/24/99/26/431249926.db2.gz RCWYRHIIRCAJOQ-UHFFFAOYSA-N -1 3 306.774 3.321 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1 ZINC000076195286 431535048 /nfs/dbraw/zinc/53/50/48/431535048.db2.gz JTSMEKVXAORSFQ-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000121759328 431804701 /nfs/dbraw/zinc/80/47/01/431804701.db2.gz OJJIXVUINGJIKA-SNVBAGLBSA-N -1 3 321.229 3.210 20 30 DGEDHM COc1ccc2cc(C([O-])=C(C#N)c3ccccn3)c(C)nc2c1 ZINC000121997929 431808526 /nfs/dbraw/zinc/80/85/26/431808526.db2.gz RJZRWQNEEMIKFM-MRXNPFEDSA-N -1 3 317.348 3.437 20 30 DGEDHM CCOc1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122694381 431841705 /nfs/dbraw/zinc/84/17/05/431841705.db2.gz NQATZSZUUSFOCC-CQSZACIVSA-N -1 3 319.364 3.462 20 30 DGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(F)cc(F)c1 ZINC000123444245 431864970 /nfs/dbraw/zinc/86/49/70/431864970.db2.gz FPZCRSNRSORMFD-CYBMUJFWSA-N -1 3 311.291 3.342 20 30 DGEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCC1 ZINC000192275007 432353665 /nfs/dbraw/zinc/35/36/65/432353665.db2.gz RCLNKHKROKPKFL-UHFFFAOYSA-N -1 3 300.337 3.296 20 30 DGEDHM CCN(C(=O)c1ccc(O)cc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000192465467 432377515 /nfs/dbraw/zinc/37/75/15/432377515.db2.gz IAQOURJNFARAJZ-GFCCVEGCSA-N -1 3 310.353 3.193 20 30 DGEDHM C=CCOc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1OC ZINC000174896971 432377679 /nfs/dbraw/zinc/37/76/79/432377679.db2.gz RMXFKVZQNCFIEP-UHFFFAOYSA-N -1 3 317.316 3.357 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/C[C@@H]2CCO[C@H]2c2ccccc2)c1O ZINC000192398472 432369531 /nfs/dbraw/zinc/36/95/31/432369531.db2.gz CNBHHQRJWYIJHP-CKHYINCTSA-N -1 3 313.353 3.000 20 30 DGEDHM COC(=O)c1cnc(SCc2ccc(Cl)cc2C#N)[n-]1 ZINC000193536497 432479375 /nfs/dbraw/zinc/47/93/75/432479375.db2.gz GSSPILXFJTVQCD-UHFFFAOYSA-N -1 3 307.762 3.014 20 30 DGEDHM N#CCCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000273429355 432597725 /nfs/dbraw/zinc/59/77/25/432597725.db2.gz ARDWJBGCARBHOI-UHFFFAOYSA-N -1 3 314.819 3.137 20 30 DGEDHM N#Cc1cc(CSc2n[n-]c(-c3ccccn3)n2)ccc1F ZINC000158618010 432650966 /nfs/dbraw/zinc/65/09/66/432650966.db2.gz AYVUATZXTKAQOJ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000158655898 432653254 /nfs/dbraw/zinc/65/32/54/432653254.db2.gz USMORVKVLXONSO-VIFPVBQESA-N -1 3 310.279 3.122 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000158655898 432653258 /nfs/dbraw/zinc/65/32/58/432653258.db2.gz USMORVKVLXONSO-VIFPVBQESA-N -1 3 310.279 3.122 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000158716178 432655590 /nfs/dbraw/zinc/65/55/90/432655590.db2.gz DVSKQBYJHAFHDB-ZDUSSCGKSA-N -1 3 319.368 3.165 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000158716178 432655595 /nfs/dbraw/zinc/65/55/95/432655595.db2.gz DVSKQBYJHAFHDB-ZDUSSCGKSA-N -1 3 319.368 3.165 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000158716178 432655598 /nfs/dbraw/zinc/65/55/98/432655598.db2.gz DVSKQBYJHAFHDB-ZDUSSCGKSA-N -1 3 319.368 3.165 20 30 DGEDHM N#Cc1cccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000189034088 432760180 /nfs/dbraw/zinc/76/01/80/432760180.db2.gz DYMGNRJZCMPWBX-UHFFFAOYSA-N -1 3 320.270 3.213 20 30 DGEDHM Cc1c(C#N)cccc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000178769005 432775839 /nfs/dbraw/zinc/77/58/39/432775839.db2.gz MDIGVNZLCJFDON-UHFFFAOYSA-N -1 3 300.745 3.407 20 30 DGEDHM CCCOc1ccc(/C=N/Cc2nnc(SC)s2)c([O-])c1 ZINC000275608942 432734589 /nfs/dbraw/zinc/73/45/89/432734589.db2.gz LIFFXZZEIKNUAV-OVCLIPMQSA-N -1 3 323.443 3.374 20 30 DGEDHM CCCOc1ccc(/C=N/CCC(OCC)OCC)c([O-])c1 ZINC000276407783 432805309 /nfs/dbraw/zinc/80/53/09/432805309.db2.gz VLYMSZFYPPPJKH-QGOAFFKASA-N -1 3 309.406 3.389 20 30 DGEDHM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1csc(=O)[n-]1 ZINC000329950093 432883962 /nfs/dbraw/zinc/88/39/62/432883962.db2.gz MDPKGZMHZRNZDU-DGCLKSJQSA-N -1 3 304.371 3.074 20 30 DGEDHM CCC(CC)N(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000288904845 432904317 /nfs/dbraw/zinc/90/43/17/432904317.db2.gz ITANCMWQWLLALJ-UHFFFAOYSA-N -1 3 317.433 3.245 20 30 DGEDHM CC1(C#N)CN(Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000297328616 432993798 /nfs/dbraw/zinc/99/37/98/432993798.db2.gz DEEQSMTYGFUHRR-UHFFFAOYSA-N -1 3 308.381 3.317 20 30 DGEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1nc2ccccc2[nH]1 ZINC000447252267 433173614 /nfs/dbraw/zinc/17/36/14/433173614.db2.gz QVZJSQVRGVUKOX-CYBMUJFWSA-N -1 3 302.337 3.325 20 30 DGEDHM O=C(c1cccc(/N=C/c2cccc([O-])c2O)c1)N1CCCCC1 ZINC000298771956 433241818 /nfs/dbraw/zinc/24/18/18/433241818.db2.gz IQQSNQBRUVXZHH-DEDYPNTBSA-N -1 3 324.380 3.475 20 30 DGEDHM CC[C@H](C)CON=C([O-])Nc1cc(C#N)ccc1OC(C)C ZINC000291699397 433317153 /nfs/dbraw/zinc/31/71/53/433317153.db2.gz FFVFSSNMFKQVQL-LBPRGKRZSA-N -1 3 305.378 3.445 20 30 DGEDHM CC[C@H](C)CO[N-]C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000291699397 433317163 /nfs/dbraw/zinc/31/71/63/433317163.db2.gz FFVFSSNMFKQVQL-LBPRGKRZSA-N -1 3 305.378 3.445 20 30 DGEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000355564733 433549081 /nfs/dbraw/zinc/54/90/81/433549081.db2.gz RWZPYULBBSZJCU-LBPRGKRZSA-N -1 3 318.373 3.045 20 30 DGEDHM CNc1ccc(C#N)cc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000355658677 433553827 /nfs/dbraw/zinc/55/38/27/433553827.db2.gz RQLYDNNMMKKVOR-UHFFFAOYSA-N -1 3 315.760 3.140 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C[C@H](c2ccccc2)C2CC2)c1[O-] ZINC000292369065 433561181 /nfs/dbraw/zinc/56/11/81/433561181.db2.gz SDLFGRJWJRLVSU-MLHZQLSASA-N -1 3 310.397 3.201 20 30 DGEDHM Cc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000362134566 433543530 /nfs/dbraw/zinc/54/35/30/433543530.db2.gz CPEXCCMKSZEOLF-NSHDSACASA-N -1 3 305.259 3.294 20 30 DGEDHM CC(C)[C@H](C#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436558361 434012138 /nfs/dbraw/zinc/01/21/38/434012138.db2.gz XGXVOJIAFAJGQD-KRWDZBQOSA-N -1 3 324.380 3.249 20 30 DGEDHM C=CCC(C)(C)c1noc(-c2cc(OC)c([O-])c(OC)c2)n1 ZINC000436537575 434002189 /nfs/dbraw/zinc/00/21/89/434002189.db2.gz HRXJGSXUAUTSLH-UHFFFAOYSA-N -1 3 304.346 3.313 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000294314270 434083495 /nfs/dbraw/zinc/08/34/95/434083495.db2.gz OAFBNCCRRJDURO-VIFPVBQESA-N -1 3 317.307 3.232 20 30 DGEDHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000345996400 434051347 /nfs/dbraw/zinc/05/13/47/434051347.db2.gz IYDUNHMZAPUZED-JTQLQIEISA-N -1 3 312.822 3.069 20 30 DGEDHM N#Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])s1 ZINC000340317464 434055358 /nfs/dbraw/zinc/05/53/58/434055358.db2.gz LFCAESLKZMGYRQ-UHFFFAOYSA-N -1 3 323.171 3.340 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000294965772 434154774 /nfs/dbraw/zinc/15/47/74/434154774.db2.gz JOAIIPDCHDPITA-LLVKDONJSA-N -1 3 324.154 3.354 20 30 DGEDHM N#Cc1cnccc1[N-]C(=O)c1cc(-c2ccccc2)ns1 ZINC000346257928 434246024 /nfs/dbraw/zinc/24/60/24/434246024.db2.gz TYIIXZYPBAHFQL-UHFFFAOYSA-N -1 3 306.350 3.329 20 30 DGEDHM N#Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1Cl ZINC000416996156 434266121 /nfs/dbraw/zinc/26/61/21/434266121.db2.gz IWBRSFFSYUKTNX-UHFFFAOYSA-N -1 3 300.749 3.197 20 30 DGEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000437517832 434278981 /nfs/dbraw/zinc/27/89/81/434278981.db2.gz VSHLIRHPINZWDB-PBHICJAKSA-N -1 3 303.402 3.227 20 30 DGEDHM CC1(C)C[C@@]1(C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295613949 434422369 /nfs/dbraw/zinc/42/23/69/434422369.db2.gz OEVASMGZBPUKCB-IBGZPJMESA-N -1 3 308.381 3.286 20 30 DGEDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@@]12CCOC2 ZINC000329696476 434461751 /nfs/dbraw/zinc/46/17/51/434461751.db2.gz BVHCOCQWKDWTDX-GXFFZTMASA-N -1 3 301.264 3.426 20 30 DGEDHM C=CCNC(=O)CN[C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287888178 434474754 /nfs/dbraw/zinc/47/47/54/434474754.db2.gz YVQPSPHYZGOKMJ-LBPRGKRZSA-N -1 3 317.216 3.042 20 30 DGEDHM C=CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000368408938 434573005 /nfs/dbraw/zinc/57/30/05/434573005.db2.gz AHAZVVZKJZPUMK-MRXNPFEDSA-N -1 3 319.368 3.165 20 30 DGEDHM C=CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000368408938 434573008 /nfs/dbraw/zinc/57/30/08/434573008.db2.gz AHAZVVZKJZPUMK-MRXNPFEDSA-N -1 3 319.368 3.165 20 30 DGEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000492402942 434975716 /nfs/dbraw/zinc/97/57/16/434975716.db2.gz XXOMITXTYFEUSE-FPLPWBNLSA-N -1 3 321.380 3.109 20 30 DGEDHM N#CC1(NC(=O)c2cc([O-])cc(Br)c2)CCCCC1 ZINC000528325441 435023723 /nfs/dbraw/zinc/02/37/23/435023723.db2.gz JPPGLKODIRTCHD-UHFFFAOYSA-N -1 3 323.190 3.111 20 30 DGEDHM CCCn1nccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000563448143 435267974 /nfs/dbraw/zinc/26/79/74/435267974.db2.gz GVZHXFGAQHVVLV-NSHDSACASA-N -1 3 322.290 3.197 20 30 DGEDHM C=CCC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000565182894 435277605 /nfs/dbraw/zinc/27/76/05/435277605.db2.gz OKUSMNPCQQGVAB-HNNXBMFYSA-N -1 3 323.396 3.497 20 30 DGEDHM C=CCNC(=O)c1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1 ZINC000536684977 435405767 /nfs/dbraw/zinc/40/57/67/435405767.db2.gz DXUJVMHODMWBFL-UHFFFAOYSA-N -1 3 324.380 3.123 20 30 DGEDHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000570150223 435593505 /nfs/dbraw/zinc/59/35/05/435593505.db2.gz OOAIQUWUSILKII-WCQYABFASA-N -1 3 312.460 3.257 20 30 DGEDHM C#CCN(C(=O)NCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000490671341 435671197 /nfs/dbraw/zinc/67/11/97/435671197.db2.gz RIQYBHDEMBTROG-UHFFFAOYSA-N -1 3 304.365 3.009 20 30 DGEDHM C#C[C@@H](NC(=O)c1ccc([O-])c(OC)c1)c1ccc(Cl)cc1 ZINC000491285524 435725739 /nfs/dbraw/zinc/72/57/39/435725739.db2.gz DDYMFWKFDJQWOK-CQSZACIVSA-N -1 3 315.756 3.159 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651563456 435757969 /nfs/dbraw/zinc/75/79/69/435757969.db2.gz WNAPBPWJQROSNP-QMMMGPOBSA-N -1 3 324.265 3.062 20 30 DGEDHM C=CCn1c(SCc2ncccc2[O-])nnc1-c1ccco1 ZINC000519862138 435715477 /nfs/dbraw/zinc/71/54/77/435715477.db2.gz VFRMFYBIKUITBO-UHFFFAOYSA-N -1 3 314.370 3.117 20 30 DGEDHM C#C[C@H]([N-]C(=O)[C@@H](C)C(F)(F)F)c1ccc(Cl)cc1F ZINC000491634122 435781279 /nfs/dbraw/zinc/78/12/79/435781279.db2.gz QKJQYHBCBKKSND-HQJQHLMTSA-N -1 3 307.674 3.468 20 30 DGEDHM C#C[C@@H]([N-]C(=O)[C@H](C)C(F)(F)F)c1ccc(Cl)cc1F ZINC000491634130 435781916 /nfs/dbraw/zinc/78/19/16/435781916.db2.gz QKJQYHBCBKKSND-WRWORJQWSA-N -1 3 307.674 3.468 20 30 DGEDHM C#C[C@H]([N-]C(=O)[C@H](C)C(F)(F)F)c1ccc(Cl)cc1F ZINC000491634091 435783362 /nfs/dbraw/zinc/78/33/62/435783362.db2.gz QKJQYHBCBKKSND-CPCISQLKSA-N -1 3 307.674 3.468 20 30 DGEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646788380 435920190 /nfs/dbraw/zinc/92/01/90/435920190.db2.gz ZDHWRZGVZFHYCC-UHFFFAOYSA-N -1 3 307.353 3.097 20 30 DGEDHM C=CCC1([N-]S(=O)(=O)c2cccc(OC)c2F)CCCC1 ZINC000657189032 436089152 /nfs/dbraw/zinc/08/91/52/436089152.db2.gz HWZQHUFPKDEEQK-UHFFFAOYSA-N -1 3 313.394 3.002 20 30 DGEDHM CCc1c[nH]c(=O)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000659115059 436462643 /nfs/dbraw/zinc/46/26/43/436462643.db2.gz OJSOEHSPZKQRPC-LBPRGKRZSA-N -1 3 315.398 3.420 20 30 DGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1c([O-])cccc1Cl ZINC000560820461 314945401 /nfs/dbraw/zinc/94/54/01/314945401.db2.gz TUDKOFBZTKVBCI-SNVBAGLBSA-N -1 3 316.744 3.323 20 30 DGEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)C ZINC000119802520 332378493 /nfs/dbraw/zinc/37/84/93/332378493.db2.gz VMZKXCOFJGNMGA-HNNXBMFYSA-N -1 3 310.344 3.232 20 30 DGEDHM C[C@@H](C#N)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000531119593 332467832 /nfs/dbraw/zinc/46/78/32/332467832.db2.gz DUTWLCFNJKFKPE-AWEZNQCLSA-N -1 3 308.381 3.067 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000179023188 337166745 /nfs/dbraw/zinc/16/67/45/337166745.db2.gz ZVZMZSWHSDSTAR-UHFFFAOYSA-N -1 3 308.428 3.492 20 30 DGEDHM C=CCCCCCN(C)Cc1c([O-])nnn1-c1ccccc1 ZINC000131394864 341084278 /nfs/dbraw/zinc/08/42/78/341084278.db2.gz PLQSGOMWIVZVSK-UHFFFAOYSA-N -1 3 300.406 3.151 20 30 DGEDHM N#CC(=C([O-])c1ccc(C#Cc2ccccc2)cc1)c1ccncn1 ZINC000546860174 341183955 /nfs/dbraw/zinc/18/39/55/341183955.db2.gz FRCNJRHZWJGUBU-IBGZPJMESA-N -1 3 323.355 3.366 20 30 DGEDHM N#CC(=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000077865822 341231989 /nfs/dbraw/zinc/23/19/89/341231989.db2.gz FXEHVGKYZCMZBA-GFCCVEGCSA-N -1 3 301.689 3.133 20 30 DGEDHM C=CCNc1ncc(C(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000153432211 341540021 /nfs/dbraw/zinc/54/00/21/341540021.db2.gz SRQXMJZHJBXBAK-UHFFFAOYSA-N -1 3 309.778 3.352 20 30 DGEDHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000329981709 500669851 /nfs/dbraw/zinc/66/98/51/500669851.db2.gz NTZZPFHSWHMNNY-QMMMGPOBSA-N -1 3 308.407 3.174 20 30 DGEDHM C=CCNC(=O)CN(Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000176677303 526527757 /nfs/dbraw/zinc/52/77/57/526527757.db2.gz LLPQXHXSPOWLNN-MRXNPFEDSA-N -1 3 324.424 3.258 20 30 DGEDHM C=C(C)COc1cccc(NC(=O)c2c[n-]c(C(=O)OC)c2)c1 ZINC000339823207 526671990 /nfs/dbraw/zinc/67/19/90/526671990.db2.gz UITGLDAXIXRMIN-UHFFFAOYSA-N -1 3 314.341 3.009 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000432303814 527018413 /nfs/dbraw/zinc/01/84/13/527018413.db2.gz SVQBSHLEYUJLHR-UHFFFAOYSA-N -1 3 317.838 3.229 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000432264509 527018744 /nfs/dbraw/zinc/01/87/44/527018744.db2.gz XLCGNPHDSOHNAS-UHFFFAOYSA-N -1 3 312.822 3.092 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000343944123 527033941 /nfs/dbraw/zinc/03/39/41/527033941.db2.gz LPHPGZPAVLVWCW-UHFFFAOYSA-N -1 3 312.373 3.187 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)cc1[O-] ZINC000331235506 527220005 /nfs/dbraw/zinc/22/00/05/527220005.db2.gz LSZYEIOLFKVJRG-CQSZACIVSA-N -1 3 305.374 3.246 20 30 DGEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)cc1[O-] ZINC000331241764 527220343 /nfs/dbraw/zinc/22/03/43/527220343.db2.gz QIJIVWCKHLIMRL-YOEHRIQHSA-N -1 3 319.401 3.351 20 30 DGEDHM C=CCCCS(=O)(=O)[N-]c1cc(CC2CCCCC2)[nH]n1 ZINC000427750909 527245838 /nfs/dbraw/zinc/24/58/38/527245838.db2.gz YNESGCIZYBSUMT-UHFFFAOYSA-N -1 3 311.451 3.240 20 30 DGEDHM CC(C)(C#N)C(=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000427682056 527451705 /nfs/dbraw/zinc/45/17/05/527451705.db2.gz ZIOOHNCITSOGEH-UHFFFAOYSA-N -1 3 324.134 3.185 20 30 DGEDHM CC(C)C1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435440324 527646113 /nfs/dbraw/zinc/64/61/13/527646113.db2.gz VPRKCFQAVOPGNX-UHFFFAOYSA-N -1 3 312.460 3.113 20 30 DGEDHM CCO[C@H](C)c1ncc(C(=O)[N-]c2sccc2C#N)s1 ZINC000443820114 528015808 /nfs/dbraw/zinc/01/58/08/528015808.db2.gz CJVLXLNGJRSCQV-MRVPVSSYSA-N -1 3 307.400 3.426 20 30 DGEDHM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000442657559 528015840 /nfs/dbraw/zinc/01/58/40/528015840.db2.gz SRXSUUMKTHAHIQ-MNOVXSKESA-N -1 3 301.371 3.126 20 30 DGEDHM CCO[C@H]1C[C@H](/N=C/c2ccc(O)c([O-])c2O)C1(CC)CC ZINC000178705379 528126007 /nfs/dbraw/zinc/12/60/07/528126007.db2.gz TXYLWLVZLQKDCG-JXIDHOQNSA-N -1 3 307.390 3.206 20 30 DGEDHM CCCOc1ccc(/C=N/C[C@H](O)c2ccsc2)c([O-])c1 ZINC000128370947 528641914 /nfs/dbraw/zinc/64/19/14/528641914.db2.gz SSFMDMLBUBSWFO-UWNXQOIWSA-N -1 3 305.399 3.395 20 30 DGEDHM CCCOc1ccc(/C=N/[C@H](C)c2nnc3ccccn32)c([O-])c1 ZINC000015149752 528642270 /nfs/dbraw/zinc/64/22/70/528642270.db2.gz MPGUABLURFOLEG-KZKLBEMASA-N -1 3 324.384 3.404 20 30 DGEDHM CCOc1ccc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073972995 545719862 /nfs/dbraw/zinc/71/98/62/545719862.db2.gz FNUZUBPSPXGTKS-UHFFFAOYSA-N -1 3 312.329 3.294 20 30 DGEDHM CCOc1ccc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073972995 545719865 /nfs/dbraw/zinc/71/98/65/545719865.db2.gz FNUZUBPSPXGTKS-UHFFFAOYSA-N -1 3 312.329 3.294 20 30 DGEDHM CCOc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073972995 545719870 /nfs/dbraw/zinc/71/98/70/545719870.db2.gz FNUZUBPSPXGTKS-UHFFFAOYSA-N -1 3 312.329 3.294 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1C ZINC000682993888 549410056 /nfs/dbraw/zinc/41/00/56/549410056.db2.gz CGGNLDVDOBRUGC-AWEZNQCLSA-N -1 3 304.353 3.021 20 30 DGEDHM COc1cccc([O-])c1/C=N\[C@H]1CCOc2ccc(F)cc21 ZINC000731562188 574552444 /nfs/dbraw/zinc/55/24/44/574552444.db2.gz PGEICNWPTPFQHY-VAODSVERSA-N -1 3 301.317 3.483 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(F)cc2Cl)c1[O-] ZINC000733205201 574607647 /nfs/dbraw/zinc/60/76/47/574607647.db2.gz NBPHDQQMEKEIJX-UFWORHAWSA-N -1 3 322.767 3.042 20 30 DGEDHM COc1ccc(C(C)=NNc2cnnc3ccccc32)c([O-])c1 ZINC000733750462 574636825 /nfs/dbraw/zinc/63/68/25/574636825.db2.gz ZZWQJHXIGGVHGW-UHFFFAOYSA-N -1 3 308.341 3.180 20 30 DGEDHM CN(C)C(=O)[C@@H]1CCC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000734096658 574650894 /nfs/dbraw/zinc/65/08/94/574650894.db2.gz PDLBPEDDMVTXON-MHSGFMTPSA-N -1 3 308.809 3.112 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)Cc2ccccc2)c1[O-] ZINC000735229294 574692170 /nfs/dbraw/zinc/69/21/70/574692170.db2.gz YFDSPNCEAHBYBI-JAIQZWGSSA-N -1 3 312.413 3.276 20 30 DGEDHM C=CCCCCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000735408131 574701307 /nfs/dbraw/zinc/70/13/07/574701307.db2.gz GJRLDJBJKIHHJS-UHFFFAOYSA-N -1 3 306.801 3.098 20 30 DGEDHM C=CCCCCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000735408131 574701308 /nfs/dbraw/zinc/70/13/08/574701308.db2.gz GJRLDJBJKIHHJS-UHFFFAOYSA-N -1 3 306.801 3.098 20 30 DGEDHM C=CCCSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000735416885 574702499 /nfs/dbraw/zinc/70/24/99/574702499.db2.gz SMINBJOWZXBNOU-UHFFFAOYSA-N -1 3 315.324 3.257 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H](Cc2ccccc2)C2CC2)c1[O-] ZINC000736430653 574750980 /nfs/dbraw/zinc/75/09/80/574750980.db2.gz CRRXEOVCGUTSLT-PGNNWUFWSA-N -1 3 310.397 3.028 20 30 DGEDHM CC[C@@H](C#N)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000736847409 574808688 /nfs/dbraw/zinc/80/86/88/574808688.db2.gz CSAVWMWNMXTKEX-FUHWJXTLSA-N -1 3 324.380 3.283 20 30 DGEDHM CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(C(=O)[O-])o2)c([O-])c1 ZINC000737088085 574822949 /nfs/dbraw/zinc/82/29/49/574822949.db2.gz GJGUTTCJNDKGPI-ZDLGFXPLSA-N -1 3 316.357 3.149 20 30 DGEDHM CCc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737264771 574835298 /nfs/dbraw/zinc/83/52/98/574835298.db2.gz KOUQIXDEOQPYKF-GOSISDBHSA-N -1 3 308.381 3.378 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737263332 574832797 /nfs/dbraw/zinc/83/27/97/574832797.db2.gz SYYWIGRPJYZQJD-YCRREMRBSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737263332 574832800 /nfs/dbraw/zinc/83/28/00/574832800.db2.gz SYYWIGRPJYZQJD-YCRREMRBSA-N -1 3 308.316 3.210 20 30 DGEDHM COc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738089243 574858945 /nfs/dbraw/zinc/85/89/45/574858945.db2.gz CQWYZVUCCMGUDB-YVEFUNNKSA-N -1 3 310.353 3.043 20 30 DGEDHM O=C1c2cccc(Cl)c2OC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738290548 574864573 /nfs/dbraw/zinc/86/45/73/574864573.db2.gz QDBQHULIMMVWLB-JYRVWZFOSA-N -1 3 324.727 3.136 20 30 DGEDHM O=C1c2cccc(Cl)c2OC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738290548 574864575 /nfs/dbraw/zinc/86/45/75/574864575.db2.gz QDBQHULIMMVWLB-JYRVWZFOSA-N -1 3 324.727 3.136 20 30 DGEDHM N#Cc1ccc([C@H](N[C@H]2CCc3cc(F)ccc32)C(=O)[O-])cc1 ZINC000739105081 574892201 /nfs/dbraw/zinc/89/22/01/574892201.db2.gz FHLAYXOOGKEBKD-IRXDYDNUSA-N -1 3 310.328 3.100 20 30 DGEDHM N#Cc1ccc([C@H](N[C@H]2CCc3c2cccc3F)C(=O)[O-])cc1 ZINC000739106498 574892258 /nfs/dbraw/zinc/89/22/58/574892258.db2.gz NFSIVXDYIKFDBN-IRXDYDNUSA-N -1 3 310.328 3.100 20 30 DGEDHM CCCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000739938405 574916269 /nfs/dbraw/zinc/91/62/69/574916269.db2.gz SZMNBVMFMXQTDH-LBPRGKRZSA-N -1 3 312.410 3.335 20 30 DGEDHM COc1cccc([O-])c1/C=N\Cc1ccc(N2CC=CC2)cc1 ZINC000740616911 574937546 /nfs/dbraw/zinc/93/75/46/574937546.db2.gz XBWYAUBMQUUACA-ZHZULCJRSA-N -1 3 308.381 3.396 20 30 DGEDHM C[C@H](/N=C\c1ccccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000741166318 574952484 /nfs/dbraw/zinc/95/24/84/574952484.db2.gz ZVBSXQFQRSWKBD-FFRQLQOOSA-N -1 3 324.424 3.101 20 30 DGEDHM CCOc1ccc(/C=N/Cc2ccccc2NC(C)=O)c([O-])c1 ZINC000741463309 574958618 /nfs/dbraw/zinc/95/86/18/574958618.db2.gz CWPWHNRMMWTRCA-XDHOZWIPSA-N -1 3 312.369 3.368 20 30 DGEDHM Cc1cc(C)cc(C[C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000741845186 574973154 /nfs/dbraw/zinc/97/31/54/574973154.db2.gz RXGSQVZMFRJJSI-ANKPHQHTSA-N -1 3 312.413 3.255 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2ccc(-n3cncn3)c(C)c2)ccc1[O-] ZINC000742435543 575000165 /nfs/dbraw/zinc/00/01/65/575000165.db2.gz XTXZHCRKICVUNH-DAXSKMNVSA-N -1 3 319.364 3.486 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@@H](C)Oc1ccc(F)cc1 ZINC000743042421 575033093 /nfs/dbraw/zinc/03/30/93/575033093.db2.gz KLWJDGKABXMWND-ZDFPAGSVSA-N -1 3 303.333 3.426 20 30 DGEDHM CCOc1ccc(C=Nc2ccc3c(c2)CCN3C(C)=O)c([O-])c1 ZINC000743330251 575043737 /nfs/dbraw/zinc/04/37/37/575043737.db2.gz OSMOJLYHDINWEX-UHFFFAOYSA-N -1 3 324.380 3.451 20 30 DGEDHM C#CCCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000743731458 575062467 /nfs/dbraw/zinc/06/24/67/575062467.db2.gz RHPQFBJIDJNYTJ-UHFFFAOYSA-N -1 3 307.393 3.321 20 30 DGEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744028911 575069040 /nfs/dbraw/zinc/06/90/40/575069040.db2.gz OCNIOERFRNNCCP-SNGWPZLWSA-N -1 3 310.397 3.425 20 30 DGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C)c1 ZINC000744026952 575069135 /nfs/dbraw/zinc/06/91/35/575069135.db2.gz CEYQLFZBDRGCMP-LMRWQKIVSA-N -1 3 314.385 3.335 20 30 DGEDHM O=C1CCCCN1CCC/N=C\c1c([O-])ccc2ccccc21 ZINC000730146876 575276196 /nfs/dbraw/zinc/27/61/96/575276196.db2.gz HPQURXVFZZCBHJ-ZHZULCJRSA-N -1 3 310.397 3.367 20 30 DGEDHM COc1ccc(CC/N=C/c2c([O-])cccc2OC)c(OC)c1 ZINC000745624769 575407362 /nfs/dbraw/zinc/40/73/62/575407362.db2.gz NNMMPLHJJOUQHB-XDHOZWIPSA-N -1 3 315.369 3.080 20 30 DGEDHM CCOc1ccc(/C=N/Cc2ncc(C)c(OC)c2C)c([O-])c1 ZINC000747614445 575527504 /nfs/dbraw/zinc/52/75/04/575527504.db2.gz KLJRQCMCAMSMGX-VXLYETTFSA-N -1 3 314.385 3.430 20 30 DGEDHM CCOc1ccc(/C=N\CCC(=O)N2CCCCCC2)c([O-])c1 ZINC000748147513 575564237 /nfs/dbraw/zinc/56/42/37/575564237.db2.gz HFSDFCDMVRIVIX-RGEXLXHISA-N -1 3 318.417 3.003 20 30 DGEDHM N#Cc1c([N-]C(=O)c2ncccn2)sc2c1CCCCCC2 ZINC000748795541 575607607 /nfs/dbraw/zinc/60/76/07/575607607.db2.gz UQCWNLJXUIVBEA-UHFFFAOYSA-N -1 3 312.398 3.321 20 30 DGEDHM CC(C)=CCCC(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000749165445 575631917 /nfs/dbraw/zinc/63/19/17/575631917.db2.gz XKFQXBPLZMKCFV-UHFFFAOYSA-N -1 3 308.447 3.271 20 30 DGEDHM CCOc1ccc(/C=N/[C@@H]2CCC[C@H]([S@](=O)CC)C2)c([O-])c1 ZINC000749931680 575689143 /nfs/dbraw/zinc/68/91/43/575689143.db2.gz SZZVTYKMKOKPRX-SBLDWCKISA-N -1 3 323.458 3.290 20 30 DGEDHM O=C1[C@@H](/N=C\c2ccccc2[O-])CCN1CCCc1ccccc1 ZINC000749931771 575689805 /nfs/dbraw/zinc/68/98/05/575689805.db2.gz WGAPIALXYQIKHY-IGCAKMCNSA-N -1 3 322.408 3.045 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc4cc[nH]c43)nc1-2 ZINC000750724018 575747873 /nfs/dbraw/zinc/74/78/73/575747873.db2.gz QPHZXJHTBLUNHE-ZDUSSCGKSA-N -1 3 315.336 3.238 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC[C@H](C/N=C/c2ccccc2[O-])C1 ZINC000750950088 575764225 /nfs/dbraw/zinc/76/42/25/575764225.db2.gz OGWCJQPWSSHFJK-ONDHQXCVSA-N -1 3 318.417 3.458 20 30 DGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(CC)c2)cc1 ZINC000751213433 575775667 /nfs/dbraw/zinc/77/56/67/575775667.db2.gz VPDKOPYJYAWIHN-UHFFFAOYSA-N -1 3 315.394 3.062 20 30 DGEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1cc(Cl)ccc1[O-] ZINC000751528311 575788820 /nfs/dbraw/zinc/78/88/20/575788820.db2.gz AMSSPYRAWSWTGM-QMMMGPOBSA-N -1 3 311.838 3.032 20 30 DGEDHM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)c1 ZINC000749153536 576091383 /nfs/dbraw/zinc/09/13/83/576091383.db2.gz FGTVNQAOCSNSCY-UHFFFAOYSA-N -1 3 315.394 3.176 20 30 DGEDHM COc1ccc(CC/N=C\c2c([O-])cccc2OC)cc1F ZINC000728225948 576170198 /nfs/dbraw/zinc/17/01/98/576170198.db2.gz AZJZGCBCUQYWEL-ODLFYWEKSA-N -1 3 303.333 3.210 20 30 DGEDHM CC(=NNC(=S)Nc1ccccc1F)c1ccc([O-])c(F)c1 ZINC000728427083 576181124 /nfs/dbraw/zinc/18/11/24/576181124.db2.gz HUUFEBGAPARWNQ-UHFFFAOYSA-N -1 3 321.352 3.381 20 30 DGEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNc1cccc2cnccc21 ZINC000728432127 576181515 /nfs/dbraw/zinc/18/15/15/576181515.db2.gz NBZICFGCRHWOML-UHFFFAOYSA-N -1 3 320.327 3.451 20 30 DGEDHM Cc1cccc2c1CCC[C@H]2/N=C/c1c([O-])c(C)ncc1CO ZINC000852999031 620658851 /nfs/dbraw/zinc/65/88/51/620658851.db2.gz ULEXHWOGEMEJRY-VMHWHBCQSA-N -1 3 310.397 3.393 20 30 DGEDHM CCc1c2ccccc2oc1C(C)=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000917555548 620675580 /nfs/dbraw/zinc/67/55/80/620675580.db2.gz UMPWNCXIEBUMCC-UHFFFAOYSA-N -1 3 320.356 3.498 20 30 DGEDHM COc1cc(C=NOC/C=C/Cl)cc(Br)c1[O-] ZINC000811668829 617622666 /nfs/dbraw/zinc/62/26/66/617622666.db2.gz KISSEXIWJGQFKW-CRILZPBOSA-N -1 3 320.570 3.266 20 30 DGEDHM CCC(=NNc1ccncc1)c1cc(Br)ccc1[O-] ZINC000779809192 617926676 /nfs/dbraw/zinc/92/66/76/617926676.db2.gz UWVTWMTUELGSSO-UHFFFAOYSA-N -1 3 320.190 3.198 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cnc(C4CC4)o3)[nH]c21 ZINC000892702750 618143027 /nfs/dbraw/zinc/14/30/27/618143027.db2.gz FOCXRCLUNJSISE-NSHDSACASA-N -1 3 306.325 3.227 20 30 DGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1Cl ZINC000920387615 620798624 /nfs/dbraw/zinc/79/86/24/620798624.db2.gz SESUGOXCQVDDMT-UHFFFAOYSA-N -1 3 322.817 3.184 20 30 DGEDHM CC[C@@H](NCc1csc(N(C)C)n1)c1cccc(C#N)c1[O-] ZINC000925202150 619074011 /nfs/dbraw/zinc/07/40/11/619074011.db2.gz ANCXCBOBURNBMX-CQSZACIVSA-N -1 3 316.430 3.027 20 30 DGEDHM COC(=O)[C@@H]1C[C@@H]2C[C@H](/N=C\c3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC000899231545 619320352 /nfs/dbraw/zinc/32/03/52/619320352.db2.gz RCYHUONHUFQEPO-ICBYNRECSA-N -1 3 307.777 3.052 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000899225878 619321189 /nfs/dbraw/zinc/32/11/89/619321189.db2.gz FUQTXCPHRGEDJD-POAJURFISA-N -1 3 322.202 3.165 20 30 DGEDHM C[C@H]1OCC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900095412 619404169 /nfs/dbraw/zinc/40/41/69/619404169.db2.gz CFBUGKRSJSAFFW-PRHODGIISA-N -1 3 304.173 3.136 20 30 DGEDHM C[C@@H](CC(=O)N([O-])Cc1cccc2ccccc21)n1ccnc1 ZINC000901371612 619490465 /nfs/dbraw/zinc/49/04/65/619490465.db2.gz WKXMOOKMZSBFFS-AWEZNQCLSA-N -1 3 309.369 3.405 20 30 DGEDHM O=C([C@H]1CC12CCOCC2)N([O-])Cc1cccc2ccccc21 ZINC000901371121 619490589 /nfs/dbraw/zinc/49/05/89/619490589.db2.gz MVHUKPZACHVEJQ-QGZVFWFLSA-N -1 3 311.381 3.374 20 30 DGEDHM CCc1ncncc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901369306 619490637 /nfs/dbraw/zinc/49/06/37/619490637.db2.gz AERMPTZBPDRZNU-UHFFFAOYSA-N -1 3 307.353 3.224 20 30 DGEDHM O=C(Cc1csc(C2CC2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901373245 619491509 /nfs/dbraw/zinc/49/15/09/619491509.db2.gz VHLBJPLXNGLNQP-UHFFFAOYSA-N -1 3 306.362 3.120 20 30 DGEDHM O=C(c1cccc(-n2cccn2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901374624 619491913 /nfs/dbraw/zinc/49/19/13/619491913.db2.gz NWTAFVMOMWGJDX-UHFFFAOYSA-N -1 3 311.316 3.043 20 30 DGEDHM COc1cccc([C@H](C)C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901374951 619492005 /nfs/dbraw/zinc/49/20/05/619492005.db2.gz XTDGVEWRLNYSTJ-LBPRGKRZSA-N -1 3 303.333 3.356 20 30 DGEDHM O=C([C@@H]1CCCOC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379664 619492698 /nfs/dbraw/zinc/49/26/98/619492698.db2.gz BBTORKKTJVEUCU-SNVBAGLBSA-N -1 3 304.173 3.138 20 30 DGEDHM C#CCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)C ZINC000902937678 619695100 /nfs/dbraw/zinc/69/51/00/619695100.db2.gz MMRHXSNFVICNBX-UHFFFAOYSA-N -1 3 324.384 3.033 20 30 DGEDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1C#N ZINC000904045903 619864000 /nfs/dbraw/zinc/86/40/00/619864000.db2.gz QZRWVFKPQOBLQD-KRWDZBQOSA-N -1 3 324.380 3.181 20 30 DGEDHM O=C([C@@H]1CCSC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181616 619888919 /nfs/dbraw/zinc/88/89/19/619888919.db2.gz WVQNHBJAXAULPY-SECBINFHSA-N -1 3 306.214 3.464 20 30 DGEDHM O=C([C@H]1CCn2ccnc2C1)N([O-])Cc1cccc2ccccc21 ZINC000904172059 619891631 /nfs/dbraw/zinc/89/16/31/619891631.db2.gz YAFQOWOSLLIXQH-HNNXBMFYSA-N -1 3 321.380 3.017 20 30 DGEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)oc2c1C(=O)CCC2 ZINC000904175508 619892568 /nfs/dbraw/zinc/89/25/68/619892568.db2.gz UAFZKMFBEQTXIQ-UHFFFAOYSA-N -1 3 317.316 3.278 20 30 DGEDHM O=C([C@@H]1CCOC2(CCCC2)C1)N([O-])Cc1ccc(F)cc1 ZINC000904178342 619892804 /nfs/dbraw/zinc/89/28/04/619892804.db2.gz GGQGEGHFFULBRJ-CQSZACIVSA-N -1 3 307.365 3.283 20 30 DGEDHM N#C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC2CCC1CC2 ZINC000904178528 619893558 /nfs/dbraw/zinc/89/35/58/619893558.db2.gz MNDJPFOLYBXJOI-MKTAYPAQSA-N -1 3 302.349 3.264 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000904208362 619893856 /nfs/dbraw/zinc/89/38/56/619893856.db2.gz VZOXCEDHMZLVRA-ZDUSSCGKSA-N -1 3 324.446 3.073 20 30 DGEDHM Cc1nccn1CCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904189075 619894419 /nfs/dbraw/zinc/89/44/19/619894419.db2.gz ZBJJBRWSZKMMAH-UHFFFAOYSA-N -1 3 307.781 3.043 20 30 DGEDHM Cc1nc(CCC(=O)N([O-])Cc2ccccc2Cl)cs1 ZINC000904188666 619894569 /nfs/dbraw/zinc/89/45/69/619894569.db2.gz IWDAVOZZIHABPS-UHFFFAOYSA-N -1 3 310.806 3.456 20 30 DGEDHM CCn1cc(C(=O)N([O-])Cc2ccccc2Cl)c(C2CC2)n1 ZINC000904192567 619895733 /nfs/dbraw/zinc/89/57/33/619895733.db2.gz QLYMPJVCUWAXPV-UHFFFAOYSA-N -1 3 319.792 3.465 20 30 DGEDHM C=C(C)CONC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904196192 619895974 /nfs/dbraw/zinc/89/59/74/619895974.db2.gz PHCHWXBAKNQJLA-UHFFFAOYSA-N -1 3 305.161 3.402 20 30 DGEDHM CCCCCc1nnc([N-]C(=O)c2ccsc2C#N)s1 ZINC000906368630 620091316 /nfs/dbraw/zinc/09/13/16/620091316.db2.gz UFVLZPKAYSAKGM-UHFFFAOYSA-N -1 3 306.416 3.456 20 30 DGEDHM C#C[C@@H](CCC)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907707878 620169252 /nfs/dbraw/zinc/16/92/52/620169252.db2.gz SRUIIMCIZXBEFC-JTQLQIEISA-N -1 3 323.418 3.022 20 30 DGEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000908658424 620216188 /nfs/dbraw/zinc/21/61/88/620216188.db2.gz BRKOTNUKQXICRY-CQSZACIVSA-N -1 3 307.777 3.186 20 30 DGEDHM N#Cc1ccc(F)c(COC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000913302302 620434661 /nfs/dbraw/zinc/43/46/61/620434661.db2.gz UXOJZCPNJBJYPJ-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM N#Cc1ccc(F)c(COC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000913302302 620434664 /nfs/dbraw/zinc/43/46/64/620434664.db2.gz 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/nfs/dbraw/zinc/53/43/38/621534338.db2.gz OCYFDQSCZBWTSX-UHFFFAOYSA-N -1 3 321.874 3.021 20 30 DGEDHM Cc1ccc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1F ZINC000755032615 621548061 /nfs/dbraw/zinc/54/80/61/621548061.db2.gz ZLQMVORHQAZUGE-JOVAIETRSA-N -1 3 302.349 3.216 20 30 DGEDHM C[C@@]1(C#N)CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862319777 621574514 /nfs/dbraw/zinc/57/45/14/621574514.db2.gz LRVMNITWTJYRQT-AWEZNQCLSA-N -1 3 309.207 3.280 20 30 DGEDHM N#Cc1ccc(NN=Cc2ccc([O-])cn2)cc1C(F)(F)F ZINC000755682392 621585595 /nfs/dbraw/zinc/58/55/95/621585595.db2.gz HFDMOALHVDFAIA-UHFFFAOYSA-N -1 3 306.247 3.124 20 30 DGEDHM CC(C)c1ccccc1NC(=S)NN=Cc1ccc([O-])cn1 ZINC000755683938 621585865 /nfs/dbraw/zinc/58/58/65/621585865.db2.gz WGFVHUKCOOURCK-UHFFFAOYSA-N -1 3 314.414 3.231 20 30 DGEDHM [O-]c1c(F)cccc1CN=Nc1nc(C(F)(F)F)cs1 ZINC000755771003 621592615 /nfs/dbraw/zinc/59/26/15/621592615.db2.gz QZTDZFGRCKPYNL-UHFFFAOYSA-N -1 3 305.256 3.453 20 30 DGEDHM [O-]c1cccc(Br)c1C=NO[C@@H]1CCCCO1 ZINC000863103539 621638863 /nfs/dbraw/zinc/63/88/63/621638863.db2.gz CFGTZIUTZSHLRK-GFCCVEGCSA-N -1 3 300.152 3.032 20 30 DGEDHM S=c1[n-]c2ccccc2nc1N=NC1COC2(CCC2)C1 ZINC000863125145 621640989 /nfs/dbraw/zinc/64/09/89/621640989.db2.gz NWDTXBCGDAXWCS-UHFFFAOYSA-N -1 3 300.387 3.403 20 30 DGEDHM CCC(CC)(C/N=C\c1c([O-])c(C)ncc1CO)C(F)(F)F ZINC000864347282 621759343 /nfs/dbraw/zinc/75/93/43/621759343.db2.gz NWJWOCRGLAEDKQ-GXHLCREISA-N -1 3 318.339 3.376 20 30 DGEDHM C=C(Cl)C[C@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000864518797 621777570 /nfs/dbraw/zinc/77/75/70/621777570.db2.gz UITMMXASKBTJML-LBPRGKRZSA-N -1 3 304.173 3.034 20 30 DGEDHM C[C@@H]1CCC[C@H]([C@H](CNCc2nc(C#N)cs2)CC(=O)[O-])C1 ZINC000864532872 621780623 /nfs/dbraw/zinc/78/06/23/621780623.db2.gz JLKJPAQSIWELDE-AGIUHOORSA-N -1 3 321.446 3.022 20 30 DGEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)c1ccc(F)cc1 ZINC000864686392 621800615 /nfs/dbraw/zinc/80/06/15/621800615.db2.gz ZVHZZFGIQYBTNE-SECBINFHSA-N -1 3 310.197 3.094 20 30 DGEDHM COc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1OC(C)C ZINC000761014348 621979578 /nfs/dbraw/zinc/97/95/78/621979578.db2.gz DXOBYSCWDSUFIL-UHFFFAOYSA-N -1 3 317.341 3.350 20 30 DGEDHM C#CCOc1ccccc1-c1noc(-c2ccc(C)cc2[O-])n1 ZINC000761993988 622044584 /nfs/dbraw/zinc/04/45/84/622044584.db2.gz WRSKWZDFVFRBAW-UHFFFAOYSA-N -1 3 306.321 3.430 20 30 DGEDHM CCc1ccc([C@@H](COC)N[C@@H](C)c2cccc(C#N)c2[O-])o1 ZINC000866272851 622082202 /nfs/dbraw/zinc/08/22/02/622082202.db2.gz WGMRDGKCEQXWRQ-BLLLJJGKSA-N -1 3 314.385 3.458 20 30 DGEDHM CCc1ccc([C@H](COC)N[C@@H](C)c2cccc(C#N)c2[O-])o1 ZINC000866272852 622082233 /nfs/dbraw/zinc/08/22/33/622082233.db2.gz WGMRDGKCEQXWRQ-LRDDRELGSA-N -1 3 314.385 3.458 20 30 DGEDHM C[C@@H](O)[C@@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1ccccc1F ZINC000866383032 622106993 /nfs/dbraw/zinc/10/69/93/622106993.db2.gz COUOLJYSNFLJTO-XWCIJXRUSA-N -1 3 314.360 3.176 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)/C(C)=C/c1ccc(Br)o1 ZINC000869153319 622322982 /nfs/dbraw/zinc/32/29/82/622322982.db2.gz BENXVVZXDREGOP-FLOXNTQESA-N -1 3 300.152 3.068 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cccc(F)c2)c(OC)cc1[O-] ZINC000122499064 622336274 /nfs/dbraw/zinc/33/62/74/622336274.db2.gz YWULLQYFHBUAOV-VOTSOKGWSA-N -1 3 302.301 3.445 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C)C(C)(C)C ZINC000869335860 622344792 /nfs/dbraw/zinc/34/47/92/622344792.db2.gz RRKIYUJHAMAHEP-LLVKDONJSA-N -1 3 318.417 3.434 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)C[C@@H]2CCCc3ccccc32)c1 ZINC000870692698 622497154 /nfs/dbraw/zinc/49/71/54/622497154.db2.gz LDKIYNZSHXILSI-INIZCTEOSA-N -1 3 306.365 3.478 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CC(C)(C)c3ccccc32)c1[O-] ZINC000769773361 622559237 /nfs/dbraw/zinc/55/92/37/622559237.db2.gz DNSYNIGIDMOPDA-GVLJNOETSA-N -1 3 310.397 3.429 20 30 DGEDHM CCc1nn(C)cc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000770570827 622647307 /nfs/dbraw/zinc/64/73/07/622647307.db2.gz KKWBSJZAQMLULB-MDXIRLPMSA-N -1 3 300.333 3.211 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)nc2)nc(C)n1 ZINC000772645181 622922731 /nfs/dbraw/zinc/92/27/31/622922731.db2.gz WMJSHDSFMVFFDO-MASHWEEQSA-N -1 3 312.760 3.032 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1C[C@H]1C(C)C ZINC000774847602 623198870 /nfs/dbraw/zinc/19/88/70/623198870.db2.gz IFSMJXKNRWTNST-ZFWWWQNUSA-N -1 3 316.401 3.044 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1C[C@H]1C(C)C ZINC000774847598 623199088 /nfs/dbraw/zinc/19/90/88/623199088.db2.gz IFSMJXKNRWTNST-HIFRSBDPSA-N -1 3 316.401 3.044 20 30 DGEDHM COC(=O)c1ccccc1NN=C(C)c1cc(F)ccc1[O-] ZINC000776190007 623393480 /nfs/dbraw/zinc/39/34/80/623393480.db2.gz VDERAVNPTUIXHF-UHFFFAOYSA-N -1 3 302.305 3.154 20 30 DGEDHM CCCCCCCCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000125262695 623409737 /nfs/dbraw/zinc/40/97/37/623409737.db2.gz NGFUQDXSPISSRU-UHFFFAOYSA-N -1 3 302.440 3.320 20 30 DGEDHM N#Cc1cc2c(nc1[N-]C(=O)c1scnc1Cl)CCCC2 ZINC000776350680 623414858 /nfs/dbraw/zinc/41/48/58/623414858.db2.gz UQURABQVORHORN-UHFFFAOYSA-N -1 3 318.789 3.194 20 30 DGEDHM Cc1nsc([N-]C(=O)c2nc(C(C)(C)C)cs2)c1C#N ZINC000875659921 623476670 /nfs/dbraw/zinc/47/66/70/623476670.db2.gz QDJFKNNUTRATGG-UHFFFAOYSA-N -1 3 306.416 3.330 20 30 DGEDHM N#Cc1ccccc1OCCO[N-]C(=O)CCC1CCCCC1 ZINC000782324492 624239422 /nfs/dbraw/zinc/23/94/22/624239422.db2.gz BUQFVBJOVZPBKP-UHFFFAOYSA-N -1 3 316.401 3.345 20 30 DGEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(F)c1 ZINC000783512950 624360897 /nfs/dbraw/zinc/36/08/97/624360897.db2.gz JJIJVHYGAITIHP-UHFFFAOYSA-N -1 3 320.389 3.059 20 30 DGEDHM CCc1cnc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)s1 ZINC000783708874 624385995 /nfs/dbraw/zinc/38/59/95/624385995.db2.gz GUEUCCDNJBVBJF-AATRIKPKSA-N -1 3 319.382 3.324 20 30 DGEDHM Cc1ccc(CC(=O)[N-]OCc2ccc(C#N)cc2Cl)cc1 ZINC000783984004 624415774 /nfs/dbraw/zinc/41/57/74/624415774.db2.gz CSUPGGHAKKXQSJ-UHFFFAOYSA-N -1 3 314.772 3.311 20 30 DGEDHM N#Cc1ccccc1COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787845725 625063517 /nfs/dbraw/zinc/06/35/17/625063517.db2.gz QYIIJUINMICRLU-UHFFFAOYSA-N -1 3 313.328 3.469 20 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IEYGMTXNHTZORV-OAHLLOKOSA-N -1 3 302.761 3.488 20 30 DGEDHM C[C@@H]1C[C@]2(CC[C@H](C/N=C/c3cc(Cl)ccc3[O-])O2)CO1 ZINC000887272362 627239547 /nfs/dbraw/zinc/23/95/47/627239547.db2.gz LUCIOMMIMUDKPV-QZDJTTQPSA-N -1 3 309.793 3.191 20 30 DGEDHM CC(C)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccccc1 ZINC000811185547 627254520 /nfs/dbraw/zinc/25/45/20/627254520.db2.gz NWCTZZHLKCHQBY-SFHVURJKSA-N -1 3 323.348 3.328 20 30 DGEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000811524216 627287926 /nfs/dbraw/zinc/28/79/26/627287926.db2.gz JIAMCUDYWZRPDG-AWEZNQCLSA-N -1 3 313.784 3.410 20 30 DGEDHM Cc1ccc(CSc2nc(NC(=O)CCCC#N)n[n-]2)cc1 ZINC000889251565 627396034 /nfs/dbraw/zinc/39/60/34/627396034.db2.gz PXNNWZVBKRDBAL-UHFFFAOYSA-N -1 3 315.402 3.038 20 30 DGEDHM C#CCO[N-]C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000812784960 627420168 /nfs/dbraw/zinc/42/01/68/627420168.db2.gz PQLPTPKJKUOLHP-UHFFFAOYSA-N -1 3 314.168 3.027 20 30 DGEDHM CCOc1cc(C=NOCC2CC2)cc(Br)c1[O-] ZINC000814243903 627553860 /nfs/dbraw/zinc/55/38/60/627553860.db2.gz SHQYTMRCRNORKP-UHFFFAOYSA-N -1 3 314.179 3.314 20 30 DGEDHM N#CCC1(COC(=O)c2cccc3[n-]c(C(F)F)nc32)CC1 ZINC000924085356 627600399 /nfs/dbraw/zinc/60/03/99/627600399.db2.gz CGCAGSXTBJXVHL-UHFFFAOYSA-N -1 3 305.284 3.351 20 30 DGEDHM CC[C@H](NCc1nccc(OC)c1F)c1cccc(C#N)c1[O-] ZINC000926703397 627936072 /nfs/dbraw/zinc/93/60/72/627936072.db2.gz PBMKQGRGBPXHEK-ZDUSSCGKSA-N -1 3 315.348 3.047 20 30 DGEDHM CC[C@@H](NCc1nc2c(s1)CCC2)c1cccc(C#N)c1[O-] ZINC000926882319 627969657 /nfs/dbraw/zinc/96/96/57/627969657.db2.gz PWCITVLQUPVYBR-CYBMUJFWSA-N -1 3 313.426 3.450 20 30 DGEDHM CC[C@@H](NCc1cc(C2CC2)n(C)n1)c1cccc(C#N)c1[O-] ZINC000927110186 628016986 /nfs/dbraw/zinc/01/69/86/628016986.db2.gz SKBRRGBGFJQLIY-MRXNPFEDSA-N -1 3 310.401 3.116 20 30 DGEDHM CCCC[C@H](ON=C(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928709055 628180356 /nfs/dbraw/zinc/18/03/56/628180356.db2.gz WWEVSAHZTZGLNB-HNNXBMFYSA-N -1 3 310.369 3.119 20 30 DGEDHM C=CCNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819751396 628185475 /nfs/dbraw/zinc/18/54/75/628185475.db2.gz UGXLSEFCQWGCRH-UHFFFAOYSA-N -1 3 311.320 3.396 20 30 DGEDHM C=CCNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819751396 628185476 /nfs/dbraw/zinc/18/54/76/628185476.db2.gz UGXLSEFCQWGCRH-UHFFFAOYSA-N -1 3 311.320 3.396 20 30 DGEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1 ZINC000819772830 628188425 /nfs/dbraw/zinc/18/84/25/628188425.db2.gz MBEWBWZUEZRNQG-GFCCVEGCSA-N -1 3 306.373 3.458 20 30 DGEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1 ZINC000819772830 628188426 /nfs/dbraw/zinc/18/84/26/628188426.db2.gz MBEWBWZUEZRNQG-GFCCVEGCSA-N -1 3 306.373 3.458 20 30 DGEDHM CC(C)(C#N)CCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819891991 628196620 /nfs/dbraw/zinc/19/66/20/628196620.db2.gz OWZKEDUXWMSJTI-UHFFFAOYSA-N -1 3 305.769 3.229 20 30 DGEDHM CC(C)(C#N)CCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000819891991 628196625 /nfs/dbraw/zinc/19/66/25/628196625.db2.gz OWZKEDUXWMSJTI-UHFFFAOYSA-N -1 3 305.769 3.229 20 30 DGEDHM CC[C@H](C#N)Oc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000820261418 628240754 /nfs/dbraw/zinc/24/07/54/628240754.db2.gz KFIPTGSMYPDWKB-QGZVFWFLSA-N -1 3 324.380 3.356 20 30 DGEDHM CC(Cc1cccc(F)c1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820300008 628244282 /nfs/dbraw/zinc/24/42/82/628244282.db2.gz MRXJTYTULICXND-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM CC(Cc1cccc(F)c1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820300008 628244285 /nfs/dbraw/zinc/24/42/85/628244285.db2.gz MRXJTYTULICXND-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820461924 628261732 /nfs/dbraw/zinc/26/17/32/628261732.db2.gz SSMSFFKTUAMKCN-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820461924 628261733 /nfs/dbraw/zinc/26/17/33/628261733.db2.gz SSMSFFKTUAMKCN-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM CCCCCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821048623 628331526 /nfs/dbraw/zinc/33/15/26/628331526.db2.gz DRQRBPSGRMPTNQ-UHFFFAOYSA-N -1 3 306.341 3.272 20 30 DGEDHM CCCCCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821048623 628331528 /nfs/dbraw/zinc/33/15/28/628331528.db2.gz DRQRBPSGRMPTNQ-UHFFFAOYSA-N -1 3 306.341 3.272 20 30 DGEDHM CCCCCC[C@H](C)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821051159 628331994 /nfs/dbraw/zinc/33/19/94/628331994.db2.gz YSUYRPBSARCQHK-NSHDSACASA-N -1 3 306.439 3.211 20 30 DGEDHM CCCCCC[C@H](C)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821051159 628331997 /nfs/dbraw/zinc/33/19/97/628331997.db2.gz YSUYRPBSARCQHK-NSHDSACASA-N -1 3 306.439 3.211 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)O2 ZINC000822212707 628429677 /nfs/dbraw/zinc/42/96/77/628429677.db2.gz DESVTQCURLWARZ-SXGWCWSVSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)O2 ZINC000822212707 628429679 /nfs/dbraw/zinc/42/96/79/628429679.db2.gz DESVTQCURLWARZ-SXGWCWSVSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822225047 628430858 /nfs/dbraw/zinc/43/08/58/628430858.db2.gz LNMFFJSBJZCSSW-WAYWQWQTSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822225047 628430860 /nfs/dbraw/zinc/43/08/60/628430860.db2.gz LNMFFJSBJZCSSW-WAYWQWQTSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000822234008 628431976 /nfs/dbraw/zinc/43/19/76/628431976.db2.gz ZRVHKROTZAQQJE-GDNBJRDFSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000822234008 628431978 /nfs/dbraw/zinc/43/19/78/628431978.db2.gz ZRVHKROTZAQQJE-GDNBJRDFSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822230865 628432221 /nfs/dbraw/zinc/43/22/21/628432221.db2.gz SKDHSOBDOCIFMW-ALCCZGGFSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822274827 628434763 /nfs/dbraw/zinc/43/47/63/628434763.db2.gz KHFUZBDWEVJKFY-AUWJEWJLSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822274827 628434766 /nfs/dbraw/zinc/43/47/66/628434766.db2.gz KHFUZBDWEVJKFY-AUWJEWJLSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000822275345 628435610 /nfs/dbraw/zinc/43/56/10/628435610.db2.gz RELRJEMNYLIYMF-RIYZIHGNSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000822275345 628435612 /nfs/dbraw/zinc/43/56/12/628435612.db2.gz RELRJEMNYLIYMF-RIYZIHGNSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1C ZINC000822284032 628436405 /nfs/dbraw/zinc/43/64/05/628436405.db2.gz GTTBCXXYLRBVND-VOTSOKGWSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1C ZINC000822284032 628436411 /nfs/dbraw/zinc/43/64/11/628436411.db2.gz GTTBCXXYLRBVND-VOTSOKGWSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822350778 628443635 /nfs/dbraw/zinc/44/36/35/628443635.db2.gz HBGDJTOBPGKVEJ-GDNBJRDFSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822350778 628443638 /nfs/dbraw/zinc/44/36/38/628443638.db2.gz HBGDJTOBPGKVEJ-GDNBJRDFSA-N -1 3 316.364 3.388 20 30 DGEDHM Clc1cccc(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822585573 628467802 /nfs/dbraw/zinc/46/78/02/628467802.db2.gz FVQDFLMZIKHJDA-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1cccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822585573 628467805 /nfs/dbraw/zinc/46/78/05/628467805.db2.gz FVQDFLMZIKHJDA-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM N#Cc1ccc(CNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000822825285 628499522 /nfs/dbraw/zinc/49/95/22/628499522.db2.gz AWBWAJKZPNMYFY-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(CNc2c(Cl)cccc2-c2nn[n-]n2)cc1 ZINC000822825285 628499523 /nfs/dbraw/zinc/49/95/23/628499523.db2.gz AWBWAJKZPNMYFY-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCc2ccccc21 ZINC000823504178 628570494 /nfs/dbraw/zinc/57/04/94/628570494.db2.gz MZVMQJVJWLXAPK-LUAWRHEFSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504290 628570620 /nfs/dbraw/zinc/57/06/20/628570620.db2.gz OVJBYPHXNHYZHV-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504290 628570625 /nfs/dbraw/zinc/57/06/25/628570625.db2.gz OVJBYPHXNHYZHV-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM C#CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823838798 628600976 /nfs/dbraw/zinc/60/09/76/628600976.db2.gz UZUPUOWQBHIRPK-AWEZNQCLSA-N -1 3 324.775 3.092 20 30 DGEDHM C#CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823838798 628600980 /nfs/dbraw/zinc/60/09/80/628600980.db2.gz UZUPUOWQBHIRPK-AWEZNQCLSA-N -1 3 324.775 3.092 20 30 DGEDHM C#CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823838267 628601089 /nfs/dbraw/zinc/60/10/89/628601089.db2.gz NECFDCFCIUNAQQ-AWEZNQCLSA-N -1 3 307.332 3.182 20 30 DGEDHM C#CC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823838267 628601090 /nfs/dbraw/zinc/60/10/90/628601090.db2.gz NECFDCFCIUNAQQ-AWEZNQCLSA-N -1 3 307.332 3.182 20 30 DGEDHM C#CCCCSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823840658 628601698 /nfs/dbraw/zinc/60/16/98/628601698.db2.gz AOXHZPFJOLQDON-UHFFFAOYSA-N -1 3 324.356 3.115 20 30 DGEDHM C#CCCCSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823840658 628601702 /nfs/dbraw/zinc/60/17/02/628601702.db2.gz AOXHZPFJOLQDON-UHFFFAOYSA-N -1 3 324.356 3.115 20 30 DGEDHM c1ccc(OCCCCN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823867597 628604601 /nfs/dbraw/zinc/60/46/01/628604601.db2.gz CWEXFFNLUUCHKK-UHFFFAOYSA-N -1 3 322.372 3.124 20 30 DGEDHM c1ccc(OCCCCN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823867597 628604605 /nfs/dbraw/zinc/60/46/05/628604605.db2.gz CWEXFFNLUUCHKK-UHFFFAOYSA-N -1 3 322.372 3.124 20 30 DGEDHM C=CCCC[C@@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000823894598 628608039 /nfs/dbraw/zinc/60/80/39/628608039.db2.gz UPEXELCCTGYZHC-CYBMUJFWSA-N -1 3 314.389 3.087 20 30 DGEDHM C=CCCC[C@@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000823894598 628608041 /nfs/dbraw/zinc/60/80/41/628608041.db2.gz UPEXELCCTGYZHC-CYBMUJFWSA-N -1 3 314.389 3.087 20 30 DGEDHM CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCCCC1 ZINC000824783355 628693488 /nfs/dbraw/zinc/69/34/88/628693488.db2.gz FWYATVGTQRMNKF-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCCCC1 ZINC000824783355 628693490 /nfs/dbraw/zinc/69/34/90/628693490.db2.gz FWYATVGTQRMNKF-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM COc1cc(C#N)ccc1CSc1ccccc1-c1nnn[n-]1 ZINC000826177199 628831285 /nfs/dbraw/zinc/83/12/85/628831285.db2.gz WFMGQBGORCAENA-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1cc(C#N)ccc1CSc1ccccc1-c1nn[n-]n1 ZINC000826177199 628831288 /nfs/dbraw/zinc/83/12/88/628831288.db2.gz WFMGQBGORCAENA-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826189905 628833072 /nfs/dbraw/zinc/83/30/72/628833072.db2.gz IVWWHBPTSAZGMD-HJWRWDBZSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826189905 628833074 /nfs/dbraw/zinc/83/30/74/628833074.db2.gz IVWWHBPTSAZGMD-HJWRWDBZSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826294325 628841084 /nfs/dbraw/zinc/84/10/84/628841084.db2.gz OGFNOXHNMKXANE-XNTDXEJSSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826294325 628841085 /nfs/dbraw/zinc/84/10/85/628841085.db2.gz OGFNOXHNMKXANE-XNTDXEJSSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccnc(N[C@@H](CCC#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311990 628844085 /nfs/dbraw/zinc/84/40/85/628844085.db2.gz SGCNXHUDTLCPPH-AWEZNQCLSA-N -1 3 319.372 3.027 20 30 DGEDHM Cc1ccnc(N[C@@H](CCC#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826311990 628844087 /nfs/dbraw/zinc/84/40/87/628844087.db2.gz SGCNXHUDTLCPPH-AWEZNQCLSA-N -1 3 319.372 3.027 20 30 DGEDHM Fc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826378446 628850417 /nfs/dbraw/zinc/85/04/17/628850417.db2.gz KNIVNQXKODFRPD-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826378446 628850421 /nfs/dbraw/zinc/85/04/21/628850421.db2.gz KNIVNQXKODFRPD-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#Cc1cccc(SCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826387121 628850651 /nfs/dbraw/zinc/85/06/51/628850651.db2.gz HGBYTKQBOOUPQK-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(SCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826387121 628850655 /nfs/dbraw/zinc/85/06/55/628850655.db2.gz HGBYTKQBOOUPQK-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826401576 628851171 /nfs/dbraw/zinc/85/11/71/628851171.db2.gz BQDZYBZBBXLSLR-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826401576 628851173 /nfs/dbraw/zinc/85/11/73/628851173.db2.gz BQDZYBZBBXLSLR-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402954 628851287 /nfs/dbraw/zinc/85/12/87/628851287.db2.gz GQIWOKRDCDKFDQ-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402954 628851290 /nfs/dbraw/zinc/85/12/90/628851290.db2.gz GQIWOKRDCDKFDQ-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826399755 628851314 /nfs/dbraw/zinc/85/13/14/628851314.db2.gz FHNWBBBVUCVADN-PLNGDYQASA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826399755 628851316 /nfs/dbraw/zinc/85/13/16/628851316.db2.gz FHNWBBBVUCVADN-PLNGDYQASA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401424 628851371 /nfs/dbraw/zinc/85/13/71/628851371.db2.gz YDLLGTSUGJEZRS-DAXSKMNVSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401424 628851373 /nfs/dbraw/zinc/85/13/73/628851373.db2.gz YDLLGTSUGJEZRS-DAXSKMNVSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399959 628851409 /nfs/dbraw/zinc/85/14/09/628851409.db2.gz LIMDFUVHCGFBQK-MVTUOISNSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399959 628851412 /nfs/dbraw/zinc/85/14/12/628851412.db2.gz LIMDFUVHCGFBQK-MVTUOISNSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=Cc1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403630 628851431 /nfs/dbraw/zinc/85/14/31/628851431.db2.gz XKWNIGFNFLEIGJ-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403630 628851433 /nfs/dbraw/zinc/85/14/33/628851433.db2.gz XKWNIGFNFLEIGJ-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM CN(Cc1ccc(F)c(F)c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830825211 629309159 /nfs/dbraw/zinc/30/91/59/629309159.db2.gz HVCGXZDPDQEQOS-INIZCTEOSA-N -1 3 316.307 3.094 20 30 DGEDHM C[C@H](C(=O)[N-][C@H](c1cccc(C#N)c1)C(F)(F)F)C(F)(F)F ZINC000831106537 629338896 /nfs/dbraw/zinc/33/88/96/629338896.db2.gz MXFLDWSTMWTZQS-GMSGAONNSA-N -1 3 324.224 3.476 20 30 DGEDHM Cc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000832871665 629524489 /nfs/dbraw/zinc/52/44/89/629524489.db2.gz VGXYQGQNZFRHRN-SJKOYZFVSA-N -1 3 312.344 3.482 20 30 DGEDHM C=CCN(CCc1ccco1)Cc1cc(C(=O)[O-])oc1CC ZINC000833374597 629594419 /nfs/dbraw/zinc/59/44/19/629594419.db2.gz SNRODKMFWSAKRY-UHFFFAOYSA-N -1 3 303.358 3.364 20 30 DGEDHM CC1(C)CN([C@H](C(=O)[O-])c2cccc(C#N)c2)Cc2ccccc21 ZINC000833560349 629621339 /nfs/dbraw/zinc/62/13/39/629621339.db2.gz QASXNFMYHBDGOP-SFHVURJKSA-N -1 3 320.392 3.477 20 30 DGEDHM CC[C@@](NCc1cc(C#N)ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000833643978 629634685 /nfs/dbraw/zinc/63/46/85/629634685.db2.gz JWLRLZOWTNENDZ-IBGZPJMESA-N -1 3 324.380 3.047 20 30 DGEDHM N#CC[C@@H]1CC[C@H](NC(=O)c2cc3sccc3c([O-])c2)C1 ZINC000836797093 630164844 /nfs/dbraw/zinc/16/48/44/630164844.db2.gz WPVRMNMXSSKCEM-JQWIXIFHSA-N -1 3 300.383 3.419 20 30 DGEDHM C=CCO[N-]C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000837048362 630206472 /nfs/dbraw/zinc/20/64/72/630206472.db2.gz QOERZTMFAMQKDY-UHFFFAOYSA-N -1 3 308.186 3.252 20 30 DGEDHM CCO[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@@H]1n1cccn1 ZINC000840707265 630350424 /nfs/dbraw/zinc/35/04/24/630350424.db2.gz UHNDQQGIFNEYQO-UYRKDIFXSA-N -1 3 319.792 3.080 20 30 DGEDHM CCO[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@H]1n1cccn1 ZINC000840707263 630350438 /nfs/dbraw/zinc/35/04/38/630350438.db2.gz UHNDQQGIFNEYQO-NFQSEGLOSA-N -1 3 319.792 3.080 20 30 DGEDHM C#CCCCS(=O)(=O)[N-]c1c(F)cccc1SCC ZINC000840949700 630383731 /nfs/dbraw/zinc/38/37/31/630383731.db2.gz BKZRUDBBIGEVCH-UHFFFAOYSA-N -1 3 301.408 3.093 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CC1CC(F)(F)C1 ZINC000845842786 631198680 /nfs/dbraw/zinc/19/86/80/631198680.db2.gz IPKSADHZMCZIPR-CQSZACIVSA-N -1 3 317.335 3.432 20 30 DGEDHM N#CC(C(=O)C=CC1CC1)=C([O-])c1sccc1Br ZINC000845847172 631199009 /nfs/dbraw/zinc/19/90/09/631199009.db2.gz NBKAGIASBMPYSD-NWALNABHSA-N -1 3 324.199 3.368 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1cccc(Cl)c1Cl ZINC000846550554 631259305 /nfs/dbraw/zinc/25/93/05/631259305.db2.gz OWSFNNLAAOCVGZ-SECBINFHSA-N -1 3 304.173 3.385 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1COC2(CCC2)C1 ZINC000849172195 631852612 /nfs/dbraw/zinc/85/26/12/631852612.db2.gz NYNJWXILMUHZCN-VJMCZWTHSA-N -1 3 310.191 3.285 20 30 DGEDHM CC(C)(C#N)CNCc1cc(Cl)cc(Br)c1[O-] ZINC000708192850 660918752 /nfs/dbraw/zinc/91/87/52/660918752.db2.gz RJHPDCSDBGRKFB-UHFFFAOYSA-N -1 3 317.614 3.447 20 30 DGEDHM C[C@@H]1COCC[C@@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000794675372 661097616 /nfs/dbraw/zinc/09/76/16/661097616.db2.gz ACXHXPPARYKXOJ-YAGJMYGCSA-N -1 3 312.207 3.246 20 30 DGEDHM C[C@@H]1CSC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000794677885 661098167 /nfs/dbraw/zinc/09/81/67/661098167.db2.gz YSEYEMGJRQGNMH-HRQMKJDCSA-N -1 3 300.221 3.325 20 30 DGEDHM [O-]c1ccc(F)c(CN=Nc2ncnc3ccsc32)c1F ZINC000794522738 661088654 /nfs/dbraw/zinc/08/86/54/661088654.db2.gz BJHDFYQDLHZBKF-UHFFFAOYSA-N -1 3 306.297 3.121 20 30 DGEDHM O=C(C=Cc1c(F)ccc([O-])c1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000794937906 661114666 /nfs/dbraw/zinc/11/46/66/661114666.db2.gz MOBMYSNJRCTFLO-DJWKRKHSSA-N -1 3 316.263 3.148 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccnn2C(C)C)c(OC)cc1[O-] ZINC000794941642 661115124 /nfs/dbraw/zinc/11/51/24/661115124.db2.gz TUCNXCCMWKTHSL-AATRIKPKSA-N -1 3 316.357 3.083 20 30 DGEDHM CN(C)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1cccs1 ZINC000255094225 655597740 /nfs/dbraw/zinc/59/77/40/655597740.db2.gz NSURZDCVVIODLG-LWLPBDFMSA-N -1 3 319.386 3.084 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCN(c2ccccn2)C1 ZINC000255626865 655879334 /nfs/dbraw/zinc/87/93/34/655879334.db2.gz KIEFDPJKOSYMCU-SAGYFLTASA-N -1 3 301.777 3.138 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCN(c2ncccc2F)C1 ZINC000255842354 655911041 /nfs/dbraw/zinc/91/10/41/655911041.db2.gz RYRQWUUKUKQWPA-CCSWUNFSSA-N -1 3 319.767 3.278 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)c1c(F)cccc1F ZINC000304268025 657616102 /nfs/dbraw/zinc/61/61/02/657616102.db2.gz GOQRIXXTHNLQGW-TZMAJHSYSA-N -1 3 311.715 3.476 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)COc1ccc(F)cc1 ZINC000098161523 657972350 /nfs/dbraw/zinc/97/23/50/657972350.db2.gz DZBDXSRSBWAISS-VDIXJHOCSA-N -1 3 323.751 3.044 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cscc1C ZINC000175111452 659916182 /nfs/dbraw/zinc/91/61/82/659916182.db2.gz FXTQQICIEVTGSR-NSHDSACASA-N -1 3 314.366 3.026 20 30 DGEDHM O=C1[C@H](/N=C/c2cc(Cl)ccc2[O-])CCN1c1ccccc1 ZINC000068042037 659936684 /nfs/dbraw/zinc/93/66/84/659936684.db2.gz KPRPRIYSQJPHQW-SKCQWOFPSA-N -1 3 314.772 3.270 20 30 DGEDHM CCc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)c([O-])c1 ZINC000188364021 661927500 /nfs/dbraw/zinc/92/75/00/661927500.db2.gz HTNSLIRGKGDHAX-UHFFFAOYSA-N -1 3 314.316 3.248 20 30 DGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSc1ccccc1 ZINC000195282206 662183189 /nfs/dbraw/zinc/18/31/89/662183189.db2.gz WMQGTOXTVBTICZ-CFRMROPGSA-N -1 3 323.377 3.035 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cccc(OC)c2F)ccc1[O-] ZINC000195502222 662190913 /nfs/dbraw/zinc/19/09/13/662190913.db2.gz FKXGYASLPWCDBS-SOFGYWHQSA-N -1 3 302.301 3.445 20 30 DGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)cc1F ZINC001583883691 1192164893 /nfs/dbraw/zinc/16/48/93/1192164893.db2.gz UHOJAYNSOAVVPS-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM C#Cc1cccc(NCc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001588375392 1192446209 /nfs/dbraw/zinc/44/62/09/1192446209.db2.gz UBTHEIICPUYCES-UHFFFAOYSA-N -1 3 309.760 3.114 20 30 DGEDHM C#Cc1cccc(NCc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001588375392 1192446211 /nfs/dbraw/zinc/44/62/11/1192446211.db2.gz UBTHEIICPUYCES-UHFFFAOYSA-N -1 3 309.760 3.114 20 30 DGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588526219 1192448812 /nfs/dbraw/zinc/44/88/12/1192448812.db2.gz SGNLMLPQZDAHGI-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588526219 1192448815 /nfs/dbraw/zinc/44/88/15/1192448815.db2.gz SGNLMLPQZDAHGI-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588525616 1192448848 /nfs/dbraw/zinc/44/88/48/1192448848.db2.gz JPPXZKWUPVLRDL-NSHDSACASA-N -1 3 311.389 3.285 20 30 DGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588525616 1192448849 /nfs/dbraw/zinc/44/88/49/1192448849.db2.gz JPPXZKWUPVLRDL-NSHDSACASA-N -1 3 311.389 3.285 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)CCCC1 ZINC001588556806 1192450093 /nfs/dbraw/zinc/45/00/93/1192450093.db2.gz UAWQQAKQPDRBFT-UHFFFAOYSA-N -1 3 311.389 3.250 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)CCCC1 ZINC001588556806 1192450096 /nfs/dbraw/zinc/45/00/96/1192450096.db2.gz UAWQQAKQPDRBFT-UHFFFAOYSA-N -1 3 311.389 3.250 20 30 DGEDHM C=CCN(CC1CCCCC1)c1nccc(C)c1-c1nnn[n-]1 ZINC001588628453 1192451543 /nfs/dbraw/zinc/45/15/43/1192451543.db2.gz ZREMIBCGOPGOAT-UHFFFAOYSA-N -1 3 312.421 3.143 20 30 DGEDHM C=CCN(CC1CCCCC1)c1nccc(C)c1-c1nn[n-]n1 ZINC001588628453 1192451545 /nfs/dbraw/zinc/45/15/45/1192451545.db2.gz ZREMIBCGOPGOAT-UHFFFAOYSA-N -1 3 312.421 3.143 20 30 DGEDHM C=CCC[C@@H]1CCCN1c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588582043 1192451834 /nfs/dbraw/zinc/45/18/34/1192451834.db2.gz FTAVSZRVXZVYET-GFCCVEGCSA-N -1 3 301.369 3.249 20 30 DGEDHM C=CCC[C@@H]1CCCN1c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588582043 1192451837 /nfs/dbraw/zinc/45/18/37/1192451837.db2.gz FTAVSZRVXZVYET-GFCCVEGCSA-N -1 3 301.369 3.249 20 30 DGEDHM C=CCCCNc1c(Br)cccc1-c1nnn[n-]1 ZINC001588601151 1192451959 /nfs/dbraw/zinc/45/19/59/1192451959.db2.gz WJYDEQKIBOYYCD-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=CCCCNc1c(Br)cccc1-c1nn[n-]n1 ZINC001588601151 1192451960 /nfs/dbraw/zinc/45/19/60/1192451960.db2.gz WJYDEQKIBOYYCD-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM CC(C)c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001589770415 1192473057 /nfs/dbraw/zinc/47/30/57/1192473057.db2.gz YLKQIDHHVUFHCT-UHFFFAOYSA-N -1 3 306.373 3.436 20 30 DGEDHM C[C@H](Nc1cc(F)ccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001589980296 1192479998 /nfs/dbraw/zinc/47/99/98/1192479998.db2.gz KRTXVGABZWFABI-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cc(F)ccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001589980296 1192480000 /nfs/dbraw/zinc/48/00/00/1192480000.db2.gz KRTXVGABZWFABI-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC001590161976 1192492696 /nfs/dbraw/zinc/49/26/96/1192492696.db2.gz JDLIHCPOEZSKFG-DUJAKZANSA-N -1 3 308.366 3.312 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC001590161976 1192492698 /nfs/dbraw/zinc/49/26/98/1192492698.db2.gz JDLIHCPOEZSKFG-DUJAKZANSA-N -1 3 308.366 3.312 20 30 DGEDHM CCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001590358915 1192503441 /nfs/dbraw/zinc/50/34/41/1192503441.db2.gz LDVBHAZNJWOZSB-UHFFFAOYSA-N -1 3 310.336 3.232 20 30 DGEDHM CC[C@H](C#N)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001590367985 1192503469 /nfs/dbraw/zinc/50/34/69/1192503469.db2.gz QJQOXSVWYLFVLY-SSDOTTSWSA-N -1 3 313.308 3.280 20 30 DGEDHM CC[C@H](C#N)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001590367985 1192503475 /nfs/dbraw/zinc/50/34/75/1192503475.db2.gz QJQOXSVWYLFVLY-SSDOTTSWSA-N -1 3 313.308 3.280 20 30 DGEDHM CCCCCCCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590592262 1192527752 /nfs/dbraw/zinc/52/77/52/1192527752.db2.gz KMCDNOUEJHPKCR-UHFFFAOYSA-N -1 3 316.409 3.349 20 30 DGEDHM CCCCCCCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590592262 1192527756 /nfs/dbraw/zinc/52/77/56/1192527756.db2.gz KMCDNOUEJHPKCR-UHFFFAOYSA-N -1 3 316.409 3.349 20 30 DGEDHM COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1-c1nnn[n-]1 ZINC001591522454 1192564837 /nfs/dbraw/zinc/56/48/37/1192564837.db2.gz IJHZBZWKSBJRQW-UXBLZVDNSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1-c1nn[n-]n1 ZINC001591522454 1192564840 /nfs/dbraw/zinc/56/48/40/1192564840.db2.gz IJHZBZWKSBJRQW-UXBLZVDNSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC001591582501 1192567301 /nfs/dbraw/zinc/56/73/01/1192567301.db2.gz AUAWLVCMPBIXCB-VURMDHGXSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC001591582501 1192567303 /nfs/dbraw/zinc/56/73/03/1192567303.db2.gz AUAWLVCMPBIXCB-VURMDHGXSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1cc(C=C2Cc3cc(F)ccc3C2=O)ccc1-c1nnn[n-]1 ZINC001591959081 1192582918 /nfs/dbraw/zinc/58/29/18/1192582918.db2.gz KQJPUVJJSCKYRR-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cc(C=C2Cc3cc(F)ccc3C2=O)ccc1-c1nn[n-]n1 ZINC001591959081 1192582921 /nfs/dbraw/zinc/58/29/21/1192582921.db2.gz KQJPUVJJSCKYRR-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC001592115351 1192593671 /nfs/dbraw/zinc/59/36/71/1192593671.db2.gz CQXFDWZXYRXFAC-VQHVLOKHSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC001592115351 1192593672 /nfs/dbraw/zinc/59/36/72/1192593672.db2.gz CQXFDWZXYRXFAC-VQHVLOKHSA-N -1 3 304.353 3.380 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001592699156 1192625821 /nfs/dbraw/zinc/62/58/21/1192625821.db2.gz QBWKGCPKNRMKMB-OUCADQQQSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001592699156 1192625823 /nfs/dbraw/zinc/62/58/23/1192625823.db2.gz QBWKGCPKNRMKMB-OUCADQQQSA-N -1 3 308.389 3.119 20 30 DGEDHM N#CC1CCC(COc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001592672446 1192626231 /nfs/dbraw/zinc/62/62/31/1192626231.db2.gz IRNNNVGBTYHGST-UHFFFAOYSA-N -1 3 317.780 3.229 20 30 DGEDHM N#CC1CCC(COc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001592672446 1192626234 /nfs/dbraw/zinc/62/62/34/1192626234.db2.gz IRNNNVGBTYHGST-UHFFFAOYSA-N -1 3 317.780 3.229 20 30 DGEDHM N#Cc1ccc(CCSc2ccccc2-c2nnn[n-]2)cc1 ZINC001592692761 1192626438 /nfs/dbraw/zinc/62/64/38/1192626438.db2.gz DDFIFHRNQBTFLB-UHFFFAOYSA-N -1 3 307.382 3.073 20 30 DGEDHM N#Cc1ccc(CCSc2ccccc2-c2nn[n-]n2)cc1 ZINC001592692761 1192626440 /nfs/dbraw/zinc/62/64/40/1192626440.db2.gz DDFIFHRNQBTFLB-UHFFFAOYSA-N -1 3 307.382 3.073 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(F)cc1Cl ZINC001592700685 1192627655 /nfs/dbraw/zinc/62/76/55/1192627655.db2.gz PMYDALFRKBTIPH-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(F)cc1Cl ZINC001592700685 1192627657 /nfs/dbraw/zinc/62/76/57/1192627657.db2.gz PMYDALFRKBTIPH-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM c1ccc([C@@H]2CCC2N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001593570523 1192636723 /nfs/dbraw/zinc/63/67/23/1192636723.db2.gz DSIZERRXBVMBKA-HNNXBMFYSA-N -1 3 304.357 3.212 20 30 DGEDHM c1ccc([C@@H]2CCC2N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001593570523 1192636725 /nfs/dbraw/zinc/63/67/25/1192636725.db2.gz DSIZERRXBVMBKA-HNNXBMFYSA-N -1 3 304.357 3.212 20 30 DGEDHM N#CCSc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000129182388 1176382583 /nfs/dbraw/zinc/38/25/83/1176382583.db2.gz KRBRZBXOKGVOGF-UHFFFAOYSA-N -1 3 302.330 3.399 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CN[C@](C)(CC(=O)[O-])c1cccnc1 ZINC001600074824 1192787796 /nfs/dbraw/zinc/78/77/96/1192787796.db2.gz 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ZINC001602812231 1192997790 /nfs/dbraw/zinc/99/77/90/1192997790.db2.gz YLYRDWSRWHLNJD-VIFPVBQESA-N -1 3 301.419 3.116 20 30 DGEDHM C=CC[C@H](C)Sc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC001602812231 1192997793 /nfs/dbraw/zinc/99/77/93/1192997793.db2.gz YLYRDWSRWHLNJD-VIFPVBQESA-N -1 3 301.419 3.116 20 30 DGEDHM C=C[C@H](N[C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001602819458 1192998687 /nfs/dbraw/zinc/99/86/87/1192998687.db2.gz WIXBKVRZMMBXRE-XVKPBYJWSA-N -1 3 305.708 3.231 20 30 DGEDHM C=CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccncc1 ZINC001602843215 1193000119 /nfs/dbraw/zinc/00/01/19/1193000119.db2.gz WNVUACGRMXWKLR-BLLLJJGKSA-N -1 3 312.369 3.453 20 30 DGEDHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3ccco3)s2)c(F)c1 ZINC001351162776 1180181847 /nfs/dbraw/zinc/18/18/47/1180181847.db2.gz KNNKXOIJZKTOQS-UHFFFAOYSA-N -1 3 314.301 3.061 20 30 DGEDHM C[C@@H]1C[C@@H]1c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC001603870618 1193036414 /nfs/dbraw/zinc/03/64/14/1193036414.db2.gz JDKVUOIMODPTLL-YGRLFVJLSA-N -1 3 308.345 3.029 20 30 DGEDHM C[C@@H]1C[C@@H]1c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC001603870618 1193036415 /nfs/dbraw/zinc/03/64/15/1193036415.db2.gz JDKVUOIMODPTLL-YGRLFVJLSA-N -1 3 308.345 3.029 20 30 DGEDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)c(C#N)c(C)c3)n[n-]2)o1 ZINC001457682047 1182475634 /nfs/dbraw/zinc/47/56/34/1182475634.db2.gz BRWSHNUSNDTCHF-UHFFFAOYSA-N -1 3 321.340 3.114 20 30 DGEDHM O=C([C@@H]1C[C@H]1c1ccncc1)N([O-])CCCCc1ccccc1 ZINC001458007242 1182489600 /nfs/dbraw/zinc/48/96/00/1182489600.db2.gz GQWZTFGKWFVMME-ZWKOTPCHSA-N -1 3 310.397 3.426 20 30 DGEDHM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1conc1C ZINC001462899475 1183000127 /nfs/dbraw/zinc/00/01/27/1183000127.db2.gz IEZWTBLZVPECEN-LBPRGKRZSA-N -1 3 302.440 3.258 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC001606481983 1193199672 /nfs/dbraw/zinc/19/96/72/1193199672.db2.gz GCHHGTRPTLRQOQ-YFHOEESVSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC001606481983 1193199674 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ZINC001472622402 1183658042 /nfs/dbraw/zinc/65/80/42/1183658042.db2.gz KGYBDGYIEFKPEU-UHFFFAOYSA-N -1 3 309.369 3.167 20 30 DGEDHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1Cl ZINC001608207624 1193283135 /nfs/dbraw/zinc/28/31/35/1193283135.db2.gz NWWUUYDERWAJQS-CYBMUJFWSA-N -1 3 306.774 3.189 20 30 DGEDHM N#Cc1ccc(C2(NCc3csc(C(=O)[O-])c3)CCC2)cc1 ZINC001608204032 1193283326 /nfs/dbraw/zinc/28/33/26/1193283326.db2.gz POPBKYLSTWBXFB-UHFFFAOYSA-N -1 3 312.394 3.487 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609052143 1193322297 /nfs/dbraw/zinc/32/22/97/1193322297.db2.gz NNYHFJDYKMELFH-BZNIZROVSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609052143 1193322299 /nfs/dbraw/zinc/32/22/99/1193322299.db2.gz NNYHFJDYKMELFH-BZNIZROVSA-N -1 3 300.362 3.073 20 30 DGEDHM C#CC[C@@H](NCc1c(Cl)cccc1SC(C)C)C(=O)[O-] ZINC001609089521 1193323792 /nfs/dbraw/zinc/32/37/92/1193323792.db2.gz ONSKSEGEKNDOMF-CYBMUJFWSA-N -1 3 311.834 3.407 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COc1ccc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC001635346687 1194545937 /nfs/dbraw/zinc/54/59/37/1194545937.db2.gz UOMBIBDSTZVLMZ-UHFFFAOYSA-N -1 3 324.380 3.024 20 30 DGEDHM CC(=O)c1cccc(NC(=O)C=CC(=O)c2ccc(C)cc2)c1[O-] ZINC001638113439 1194702930 /nfs/dbraw/zinc/70/29/30/1194702930.db2.gz KUCBQGBCVVBCOT-KHPPLWFESA-N -1 3 323.348 3.281 20 30 DGEDHM CCCn1ncc(C(=O)N([O-])Cc2ccccc2Cl)c1C ZINC001639058582 1194748843 /nfs/dbraw/zinc/74/88/43/1194748843.db2.gz MESXDATVFFZWQP-UHFFFAOYSA-N -1 3 307.781 3.287 20 30 DGEDHM C[C@H](CC(=O)N([O-])CCCCc1ccccc1)[C@@H]1CCCO1 ZINC001639062201 1194749403 /nfs/dbraw/zinc/74/94/03/1194749403.db2.gz FHRQUKSKIFZJJN-WBVHZDCISA-N -1 3 305.418 3.432 20 30 DGEDHM CCn1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC001641848416 1194874423 /nfs/dbraw/zinc/87/44/23/1194874423.db2.gz UPGBITASQQOXCU-UHFFFAOYSA-N -1 3 314.172 3.241 20 30 DGEDHM O=C(c1cccc2c1CCOC2)N([O-])Cc1ccccc1Cl ZINC001641861721 1194875136 /nfs/dbraw/zinc/87/51/36/1194875136.db2.gz BKQVBCANDVOUMO-UHFFFAOYSA-N -1 3 317.772 3.444 20 30 DGEDHM O=C(CSCc1ccncc1)N([O-])Cc1ccccc1Cl ZINC001641858289 1194875552 /nfs/dbraw/zinc/87/55/52/1194875552.db2.gz VERKIELIMCADST-UHFFFAOYSA-N -1 3 322.817 3.386 20 30 DGEDHM Cc1sc(Cl)nc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001641877742 1194876498 /nfs/dbraw/zinc/87/64/98/1194876498.db2.gz FTHUGDJJEJTJJH-UHFFFAOYSA-N -1 3 300.742 3.276 20 30 DGEDHM CC#CCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001644103718 1195081589 /nfs/dbraw/zinc/08/15/89/1195081589.db2.gz BBQYIXNRDQDQSN-UHFFFAOYSA-N -1 3 324.409 3.086 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001644300520 1195097564 /nfs/dbraw/zinc/09/75/64/1195097564.db2.gz QUYIIWWBAJKRMW-SECBINFHSA-N -1 3 323.190 3.095 20 30 DGEDHM O=C(c1c[nH]nc1-c1ccoc1)N([O-])Cc1ccccc1Cl ZINC001651223453 1195427902 /nfs/dbraw/zinc/42/79/02/1195427902.db2.gz FIHZISIFWJVMPX-UHFFFAOYSA-N -1 3 317.732 3.355 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC001651227815 1195428586 /nfs/dbraw/zinc/42/85/86/1195428586.db2.gz REDYSYPUZUQIQW-UHFFFAOYSA-N -1 3 305.353 3.423 20 30 DGEDHM O=C(c1ccc(Cl)nn1)N([O-])Cc1cccc2ccccc21 ZINC001651235069 1195430042 /nfs/dbraw/zinc/43/00/42/1195430042.db2.gz BYVXNNMQCSBLCE-UHFFFAOYSA-N -1 3 313.744 3.315 20 30 DGEDHM O=C(C1Cc2ccccc2C1)N([O-])Cc1ccccc1Cl ZINC001654813802 1195843568 /nfs/dbraw/zinc/84/35/68/1195843568.db2.gz CEMCOTGWHZMPBB-UHFFFAOYSA-N -1 3 301.773 3.473 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC001654819490 1195843974 /nfs/dbraw/zinc/84/39/74/1195843974.db2.gz FOAZDWHBDFFSAT-UHFFFAOYSA-N -1 3 322.796 3.332 20 30 DGEDHM O=C(c1cnn(CCF)c1)N([O-])Cc1cccc2ccccc21 ZINC001654826144 1195845322 /nfs/dbraw/zinc/84/53/22/1195845322.db2.gz OTVLSANIIXGIOI-UHFFFAOYSA-N -1 3 313.332 3.037 20 30 DGEDHM CC#CCN(C)Cc1cc(Cl)cc(Br)c1[O-] ZINC001660819737 1196529423 /nfs/dbraw/zinc/52/94/23/1196529423.db2.gz VMSDJINHKJNKOG-UHFFFAOYSA-N -1 3 302.599 3.263 20 30 DGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC001663914241 1196956645 /nfs/dbraw/zinc/95/66/45/1196956645.db2.gz ZNERXNVBBXITMX-UHFFFAOYSA-N -1 3 311.378 3.371 20 30 DGEDHM CC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCC1 ZINC001772362345 1197697931 /nfs/dbraw/zinc/69/79/31/1197697931.db2.gz APDONNCRQVIODX-MRXNPFEDSA-N -1 3 316.401 3.330 20 30 DGEDHM C#CCOc1ccccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001602704722 971336180 /nfs/dbraw/zinc/33/61/80/971336180.db2.gz PPTPICATNHSYMK-ZWKOTPCHSA-N -1 3 321.376 3.101 20 30 DGEDHM C=CCCCCCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573335726 947487785 /nfs/dbraw/zinc/48/77/85/947487785.db2.gz UBFLTAXRSNHGCI-UHFFFAOYSA-N -1 3 306.801 3.464 20 30 DGEDHM C=CCCCCCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573335726 947487793 /nfs/dbraw/zinc/48/77/93/947487793.db2.gz UBFLTAXRSNHGCI-UHFFFAOYSA-N -1 3 306.801 3.464 20 30 DGEDHM C=CCCC[C@@H](C)NC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001573336061 947498513 /nfs/dbraw/zinc/49/85/13/947498513.db2.gz ZOEYGRURHJSUEW-SNVBAGLBSA-N -1 3 320.422 3.103 20 30 DGEDHM C=CCCC[C@@H](C)NC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001573336061 947498520 /nfs/dbraw/zinc/49/85/20/947498520.db2.gz ZOEYGRURHJSUEW-SNVBAGLBSA-N -1 3 320.422 3.103 20 30 DGEDHM C=CCN(CCOC)Cc1c2ccccc2sc1C(=O)[O-] ZINC000382478540 971816730 /nfs/dbraw/zinc/81/67/30/971816730.db2.gz LNGNMOHPGWUJAU-UHFFFAOYSA-N -1 3 305.399 3.234 20 30 DGEDHM C=CCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001588469629 958518412 /nfs/dbraw/zinc/51/84/12/958518412.db2.gz PGUMLKSDRLZWNV-SFHVURJKSA-N -1 3 311.381 3.475 20 30 DGEDHM Cc1cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)ccc1C#N ZINC001605171950 972875479 /nfs/dbraw/zinc/87/54/79/972875479.db2.gz DNZJVLZNBRIADM-SFHVURJKSA-N -1 3 306.365 3.051 20 30 DGEDHM C=CC[C@H](Cc1ccccc1)NCc1ncc(C(=O)[O-])s1 ZINC001588744413 984042206 /nfs/dbraw/zinc/04/22/06/984042206.db2.gz KONFYXLRUBZWDC-CYBMUJFWSA-N -1 3 302.399 3.118 20 30 DGEDHM C=CCCN(C(C)C)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588805838 984256087 /nfs/dbraw/zinc/25/60/87/984256087.db2.gz PXRLVCXUQRCIQD-LBPRGKRZSA-N -1 3 324.446 3.368 20 30 DGEDHM CC(C)(CCN1CCC[C@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC001590670716 990373923 /nfs/dbraw/zinc/37/39/23/990373923.db2.gz IRFCQTMCSXPTEU-CVEARBPZSA-N -1 3 300.402 3.259 20 30 DGEDHM COc1cccc([C@H](N[C@H](C)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001599656377 994587482 /nfs/dbraw/zinc/58/74/82/994587482.db2.gz GJBKEDAUBODXQN-PXAZEXFGSA-N -1 3 310.353 3.043 20 30 DGEDHM N#Cc1ccc(Nc2cc([O-])cc(F)c2)c(Br)n1 ZINC001206760191 1081594647 /nfs/dbraw/zinc/59/46/47/1081594647.db2.gz LKYQLFFDWVNWOH-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001651228139 1081948527 /nfs/dbraw/zinc/94/85/27/1081948527.db2.gz XWGUNZTWVGCVMO-ZDUSSCGKSA-N -1 3 316.442 3.288 20 30 DGEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2ocnc2-c2ccccc2)n1 ZINC001130814765 1082615581 /nfs/dbraw/zinc/61/55/81/1082615581.db2.gz CYMNRQYUNFDTII-UHFFFAOYSA-N -1 3 318.336 3.477 20 30 DGEDHM N#CCOc1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001212605947 1082895447 /nfs/dbraw/zinc/89/54/47/1082895447.db2.gz FCXQUDQPWCVFDH-UHFFFAOYSA-N -1 3 306.325 3.224 20 30 DGEDHM N#Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c[nH]1 ZINC001184235653 1084133256 /nfs/dbraw/zinc/13/32/56/1084133256.db2.gz MGELFYCEOCMXSO-UHFFFAOYSA-N -1 3 310.140 3.225 20 30 DGEDHM CCc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n[nH]1 ZINC001184235952 1084133699 /nfs/dbraw/zinc/13/36/99/1084133699.db2.gz RKFJEMIFABTVAQ-UHFFFAOYSA-N -1 3 314.172 3.311 20 30 DGEDHM N#Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001184235743 1084133892 /nfs/dbraw/zinc/13/38/92/1084133892.db2.gz NZXQTBPUZIQYSE-UHFFFAOYSA-N -1 3 322.151 3.292 20 30 DGEDHM N#Cc1ccnc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001184340091 1084164014 /nfs/dbraw/zinc/16/40/14/1084164014.db2.gz KGXFPHAEJPXXOL-UHFFFAOYSA-N -1 3 303.321 3.138 20 30 DGEDHM O=C(c1cc(-c2cccs2)n[nH]1)N([O-])Cc1ccc(F)cc1 ZINC001184349216 1084165622 /nfs/dbraw/zinc/16/56/22/1084165622.db2.gz ZHFXGPDQFKIVQL-UHFFFAOYSA-N -1 3 317.345 3.309 20 30 DGEDHM O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N([O-])Cc1ccc(F)cc1 ZINC001184348748 1084165825 /nfs/dbraw/zinc/16/58/25/1084165825.db2.gz SZHFJUIKRJYFPS-CVEARBPZSA-N -1 3 303.308 3.486 20 30 DGEDHM N#Cc1cc(NC(=O)C2(CC3CCC3)CCOCC2)ccc1[O-] ZINC001185207754 1084381889 /nfs/dbraw/zinc/38/18/89/1084381889.db2.gz KBHUTWJRAXWQJU-UHFFFAOYSA-N -1 3 314.385 3.189 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)ccc1Cl ZINC001185525090 1084462903 /nfs/dbraw/zinc/46/29/03/1084462903.db2.gz PJJBMAPIYXSOLO-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=CCCC[C@@H](C(=O)Nc1nnc(OCC)[n-]1)c1ccccc1 ZINC001152342266 1087952476 /nfs/dbraw/zinc/95/24/76/1087952476.db2.gz MVQUNGIOPTVKHM-CQSZACIVSA-N -1 3 314.389 3.282 20 30 DGEDHM C=CCCC[C@@H](C(=O)Nc1n[n-]c(OCC)n1)c1ccccc1 ZINC001152342266 1087952488 /nfs/dbraw/zinc/95/24/88/1087952488.db2.gz MVQUNGIOPTVKHM-CQSZACIVSA-N -1 3 314.389 3.282 20 30 DGEDHM C=CCCC[C@@H](C(=O)Nc1nc(OCC)n[n-]1)c1ccccc1 ZINC001152342266 1087952503 /nfs/dbraw/zinc/95/25/03/1087952503.db2.gz MVQUNGIOPTVKHM-CQSZACIVSA-N -1 3 314.389 3.282 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc2sccc21 ZINC001153437373 1088246011 /nfs/dbraw/zinc/24/60/11/1088246011.db2.gz LBSHSPZQTHGLFH-UHFFFAOYSA-N -1 3 311.366 3.340 20 30 DGEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1ccnc2cccnc21 ZINC001154305247 1088560723 /nfs/dbraw/zinc/56/07/23/1088560723.db2.gz DSYNYZAQFKURGP-UHFFFAOYSA-N -1 3 310.263 3.032 20 30 DGEDHM Cc1ccc2ncc([O-])c(C(=O)N[C@H](C#N)c3ccccc3)c2c1 ZINC001154528134 1088642857 /nfs/dbraw/zinc/64/28/57/1088642857.db2.gz NGTIATPJBXESIN-MRXNPFEDSA-N -1 3 317.348 3.244 20 30 DGEDHM CC(C)C[C@@](C)(C#N)NC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001162518352 1089769571 /nfs/dbraw/zinc/76/95/71/1089769571.db2.gz LAWDUWQDGUFNCQ-NSHDSACASA-N -1 3 320.796 3.386 20 30 DGEDHM Cc1cc([O-])c(CN2CCC[C@H](C#N)C2)cc1Br ZINC001237682762 1090317828 /nfs/dbraw/zinc/31/78/28/1090317828.db2.gz SISSFISCWRWHHO-LLVKDONJSA-N -1 3 309.207 3.199 20 30 DGEDHM CSc1ccc([O-])c(C(=O)NCCC#C[Si](C)(C)C)c1 ZINC001166057763 1090575157 /nfs/dbraw/zinc/57/51/57/1090575157.db2.gz RXODDTOVPWGITB-UHFFFAOYSA-N -1 3 307.491 3.115 20 30 DGEDHM N#Cc1ccc([O-])c(Nc2ccc(OCC(F)(F)F)nc2)c1 ZINC001203689227 1090782075 /nfs/dbraw/zinc/78/20/75/1090782075.db2.gz OVPCHHUHKLLMER-UHFFFAOYSA-N -1 3 309.247 3.344 20 30 DGEDHM N#Cc1ccc(Nc2nc(Br)ccc2[O-])cc1F ZINC001204028988 1090874605 /nfs/dbraw/zinc/87/46/05/1090874605.db2.gz SMOIBLPEYXMHIA-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM COC(=O)c1cc(C#N)ccc1Nc1cc(F)cc(F)c1[O-] ZINC001212489050 1090944968 /nfs/dbraw/zinc/94/49/68/1090944968.db2.gz DSOPWIMWNRVMHM-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM CCN(C)C(=O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001206511663 1091655777 /nfs/dbraw/zinc/65/57/77/1091655777.db2.gz OVQGZWIADSAWAD-YBFXNURJSA-N -1 3 300.333 3.393 20 30 DGEDHM C#C[C@H](CC(C)C)Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC ZINC001231087354 1091664653 /nfs/dbraw/zinc/66/46/53/1091664653.db2.gz INVWGRCMMKANEG-SNVBAGLBSA-N -1 3 311.765 3.044 20 30 DGEDHM C=CCCCNC(=O)c1c[n-]c2ccc(C(F)(F)F)cc2c1=O ZINC001150477428 1092782501 /nfs/dbraw/zinc/78/25/01/1092782501.db2.gz WMCBPPHWZZVMAD-UHFFFAOYSA-N -1 3 324.302 3.243 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001209708200 1092889802 /nfs/dbraw/zinc/88/98/02/1092889802.db2.gz YABBGUAHLNOZID-MRVPVSSYSA-N -1 3 316.835 3.193 20 30 DGEDHM N#Cc1cccc2c1c(N)nn2-c1cc(C(F)(F)F)ccc1[O-] ZINC001209979327 1093003778 /nfs/dbraw/zinc/00/37/78/1093003778.db2.gz AMEZEJNYIHUGEJ-UHFFFAOYSA-N -1 3 318.258 3.204 20 30 DGEDHM C=CCOC(=O)c1ccc(Nc2ccc([O-])c(C#N)c2)c(F)c1 ZINC001210528994 1093198228 /nfs/dbraw/zinc/19/82/28/1093198228.db2.gz CGBPOISNGQRWMZ-UHFFFAOYSA-N -1 3 312.300 3.489 20 30 DGEDHM CN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2Cl)c1[O-] ZINC001214000235 1093694311 /nfs/dbraw/zinc/69/43/11/1093694311.db2.gz PIODDJLXVRSFDD-UHFFFAOYSA-N -1 3 315.760 3.363 20 30 DGEDHM C[C@H](N)c1ncc(C(=O)[N-]c2c(F)cc(C#N)cc2Cl)s1 ZINC001218994253 1094922682 /nfs/dbraw/zinc/92/26/82/1094922682.db2.gz BEAJLIRCRCQYMJ-LURJTMIESA-N -1 3 324.768 3.079 20 30 DGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2occ(C)c2C)cc1 ZINC001122505642 1094992321 /nfs/dbraw/zinc/99/23/21/1094992321.db2.gz DKJMWUQESVSNAE-OAHLLOKOSA-N -1 3 310.353 3.420 20 30 DGEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cc2c(s1)CCC2 ZINC001123337257 1095245744 /nfs/dbraw/zinc/24/57/44/1095245744.db2.gz PEAMNTQBJSHWOE-VIFPVBQESA-N -1 3 305.790 3.114 20 30 DGEDHM [O-]N=Cc1ccccc1-c1cc(F)cc(N2CCOCC2)c1 ZINC001222091188 1095431309 /nfs/dbraw/zinc/43/13/09/1095431309.db2.gz WQZZGTMFTFPDHR-UHFFFAOYSA-N -1 3 300.333 3.137 20 30 DGEDHM CC(C)CC[C@@H]1CCC[C@@H]1/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001116009008 1095436835 /nfs/dbraw/zinc/43/68/35/1095436835.db2.gz LLDCHNJXYIIUOF-ZFWWWQNUSA-N -1 3 320.458 3.330 20 30 DGEDHM O=C(c1ccc(C(F)(F)F)cn1)N([O-])Cc1ccc(F)cc1 ZINC001339279442 1095570067 /nfs/dbraw/zinc/57/00/67/1095570067.db2.gz AELAVVBCXRUHBV-UHFFFAOYSA-N -1 3 314.238 3.271 20 30 DGEDHM CN(C)c1ncc(C(=O)[N-]c2sc3ccccc3c2C#N)o1 ZINC001147053279 1096160740 /nfs/dbraw/zinc/16/07/40/1096160740.db2.gz RRLCBPDDWPVJGG-UHFFFAOYSA-N -1 3 312.354 3.079 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc2c1CCCC2 ZINC001148635735 1096418005 /nfs/dbraw/zinc/41/80/05/1096418005.db2.gz CKLWANBOLCNMRE-UHFFFAOYSA-N -1 3 309.369 3.005 20 30 DGEDHM Cc1c(F)c(F)cc(C(=O)Nc2ccc([O-])c(C#N)c2)c1F ZINC001148729686 1096431396 /nfs/dbraw/zinc/43/13/96/1096431396.db2.gz FKICXJDQPDBADP-UHFFFAOYSA-N -1 3 306.243 3.242 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCc3c2nccc3Cl)[n-]1 ZINC001225467175 1096439670 /nfs/dbraw/zinc/43/96/70/1096439670.db2.gz NNGWJXIPXGDPCW-CYBMUJFWSA-N -1 3 301.733 3.082 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(C)cc(=O)c2C#N)O1 ZINC001225469217 1096440242 /nfs/dbraw/zinc/44/02/42/1096440242.db2.gz IFIBWRNUQBTJSG-PBHICJAKSA-N -1 3 302.374 3.248 20 30 DGEDHM C#C[C@H](CC)Oc1cc(C)cc([O-])c1I ZINC001225510653 1096454054 /nfs/dbraw/zinc/45/40/54/1096454054.db2.gz KZHXNHVMBQYHEM-SECBINFHSA-N -1 3 316.138 3.096 20 30 DGEDHM C=CCOc1ccccc1[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666738 1096499175 /nfs/dbraw/zinc/49/91/75/1096499175.db2.gz LRSLWENFQAEPLU-NSHDSACASA-N -1 3 316.313 3.400 20 30 DGEDHM CSc1ccc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c(C(F)(F)F)c1 ZINC001171368218 1096541089 /nfs/dbraw/zinc/54/10/89/1096541089.db2.gz BAPJJWLAXQKUBC-CPCISQLKSA-N -1 3 320.336 3.075 20 30 DGEDHM N#C[C@H](Oc1[n-]c(=S)ncc1C1CC1)c1ccccc1F ZINC001226120455 1096617971 /nfs/dbraw/zinc/61/79/71/1096617971.db2.gz STANSMZNUCRQHM-ZDUSSCGKSA-N -1 3 301.346 3.425 20 30 DGEDHM C=CCOc1ccccc1[C@H](C)Oc1cc(=O)[n-]c(CC)n1 ZINC001226474395 1096699184 /nfs/dbraw/zinc/69/91/84/1096699184.db2.gz FQBLIXXDAVEWHJ-LBPRGKRZSA-N -1 3 300.358 3.449 20 30 DGEDHM CC(=O)c1ccc([O-])c(O[C@@H](C#N)c2cccc(F)c2)c1O ZINC001226486342 1096702555 /nfs/dbraw/zinc/70/25/55/1096702555.db2.gz UFSARPRSQMQORS-AWEZNQCLSA-N -1 3 301.273 3.083 20 30 DGEDHM N#C[C@H](Oc1[n-]c(=O)nc2nc(Cl)ccc21)c1ccccc1 ZINC001226557081 1096720597 /nfs/dbraw/zinc/72/05/97/1096720597.db2.gz VZGAMNBMUMRBKM-NSHDSACASA-N -1 3 312.716 3.027 20 30 DGEDHM 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/nfs/dbraw/zinc/60/72/44/433607244.db2.gz MKLUYSSQAIXBCB-INIZCTEOSA-N -1 3 314.772 3.436 20 30 DGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)[N-]OCC1CC1 ZINC000293013070 433610080 /nfs/dbraw/zinc/61/00/80/433610080.db2.gz UOVYWZFNCHERIA-NSHDSACASA-N -1 3 305.403 3.401 20 30 DGEDHM CCCOc1ccc(/C=N/[C@H](c2nncn2C)C(C)C)c([O-])c1 ZINC000285465572 433957047 /nfs/dbraw/zinc/95/70/47/433957047.db2.gz RAQQFFCPFBBZJO-HKJBKDEOSA-N -1 3 316.405 3.126 20 30 DGEDHM C=CCC1(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)CCCC1 ZINC000450139134 433991176 /nfs/dbraw/zinc/99/11/76/433991176.db2.gz HKYHOUPLGGFIDH-UHFFFAOYSA-N -1 3 300.362 3.448 20 30 DGEDHM C=CCC1(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)CCCC1 ZINC000450139134 433991182 /nfs/dbraw/zinc/99/11/82/433991182.db2.gz HKYHOUPLGGFIDH-UHFFFAOYSA-N -1 3 300.362 3.448 20 30 DGEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)CCCC1 ZINC000450139134 433991189 /nfs/dbraw/zinc/99/11/89/433991189.db2.gz HKYHOUPLGGFIDH-UHFFFAOYSA-N -1 3 300.362 3.448 20 30 DGEDHM N#CC1(CNC(=O)CCc2ccc3ccccc3c2[O-])CCC1 ZINC000416354549 434110496 /nfs/dbraw/zinc/11/04/96/434110496.db2.gz POUGOCCJGMFRJU-UHFFFAOYSA-N -1 3 308.381 3.288 20 30 DGEDHM CCc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c([O-])c1 ZINC000436835793 434132956 /nfs/dbraw/zinc/13/29/56/434132956.db2.gz FLYVBRVJDKMXBU-HXUWFJFHSA-N -1 3 320.392 3.136 20 30 DGEDHM Cc1cc([O-])ccc1-c1noc(Cc2c(F)cccc2C#N)n1 ZINC000436877540 434145956 /nfs/dbraw/zinc/14/59/56/434145956.db2.gz ABIXXQQZMGKOTN-UHFFFAOYSA-N -1 3 309.300 3.352 20 30 DGEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c([O-])c1C ZINC000436913407 434164384 /nfs/dbraw/zinc/16/43/84/434164384.db2.gz GARVGQOZIKDVGF-HXUWFJFHSA-N -1 3 320.392 3.190 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](COC)c1ccc(Cl)cc1 ZINC000295272331 434283271 /nfs/dbraw/zinc/28/32/71/434283271.db2.gz HSPVXSQVDMIIRY-LBPRGKRZSA-N -1 3 303.736 3.355 20 30 DGEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000438373585 434471828 /nfs/dbraw/zinc/47/18/28/434471828.db2.gz DBLYPSWHFFJGPA-UHFFFAOYSA-N -1 3 316.367 3.292 20 30 DGEDHM COc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)c([O-])c1 ZINC000527482120 295098192 /nfs/dbraw/zinc/09/81/92/295098192.db2.gz LQMJXXFQTPBMQA-UHFFFAOYSA-N -1 3 302.717 3.178 20 30 DGEDHM CCCN(Cc1ccc(C#N)cc1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411167643 434735586 /nfs/dbraw/zinc/73/55/86/434735586.db2.gz OAEKFBICIYFBBG-CQSZACIVSA-N -1 3 310.401 3.336 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2ccccc2)c1CCC ZINC000361015370 434768281 /nfs/dbraw/zinc/76/82/81/434768281.db2.gz SCZLZBOMKRDCTP-UHFFFAOYSA-N -1 3 319.430 3.143 20 30 DGEDHM CC(C)c1csc(C(C#N)=C([O-])c2cnc3n2CCCC3)n1 ZINC000556479849 435010235 /nfs/dbraw/zinc/01/02/35/435010235.db2.gz ANOFKTUOCKKNJE-NSHDSACASA-N -1 3 314.414 3.289 20 30 DGEDHM C=C(C)CO[N-]C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529512041 435037322 /nfs/dbraw/zinc/03/73/22/435037322.db2.gz LDJGWNWNEIVDPD-VHSXEESVSA-N -1 3 316.220 3.238 20 30 DGEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000558631183 435102147 /nfs/dbraw/zinc/10/21/47/435102147.db2.gz IIRJHHACBPHJIW-UHFFFAOYSA-N -1 3 316.380 3.306 20 30 DGEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000558631183 435102148 /nfs/dbraw/zinc/10/21/48/435102148.db2.gz IIRJHHACBPHJIW-UHFFFAOYSA-N -1 3 316.380 3.306 20 30 DGEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000558631183 435102149 /nfs/dbraw/zinc/10/21/49/435102149.db2.gz IIRJHHACBPHJIW-UHFFFAOYSA-N -1 3 316.380 3.306 20 30 DGEDHM C=C(C)CO[N-]C(=O)/C=C\c1ccc(OC(C)C)c(OC)c1 ZINC000493155160 435117539 /nfs/dbraw/zinc/11/75/39/435117539.db2.gz MWWDNELKBMWSCD-CLFYSBASSA-N -1 3 305.374 3.120 20 30 DGEDHM Cc1cc([N-]c2nc(C#N)c(Cl)s2)nn1[C@@H](C)C1CC1 ZINC000596191008 435311956 /nfs/dbraw/zinc/31/19/56/435311956.db2.gz DRZXHQSZFVFESJ-QMMMGPOBSA-N -1 3 307.810 3.888 20 30 DGEDHM CCn1nc(C)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000643778752 435371025 /nfs/dbraw/zinc/37/10/25/435371025.db2.gz GARBZDUAQVKRLV-NSHDSACASA-N -1 3 322.290 3.115 20 30 DGEDHM CC1CC(C#N)(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)C1 ZINC000569990078 435580229 /nfs/dbraw/zinc/58/02/29/435580229.db2.gz AXEMMYQUXHLJTL-UHFFFAOYSA-N -1 3 321.340 3.096 20 30 DGEDHM CC1CC(C#N)(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)C1 ZINC000569990078 435580234 /nfs/dbraw/zinc/58/02/34/435580234.db2.gz AXEMMYQUXHLJTL-UHFFFAOYSA-N -1 3 321.340 3.096 20 30 DGEDHM CC1CC(C#N)(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC000569990078 435580238 /nfs/dbraw/zinc/58/02/38/435580238.db2.gz AXEMMYQUXHLJTL-UHFFFAOYSA-N -1 3 321.340 3.096 20 30 DGEDHM C=C(C)CN(C)[C@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000652430520 435977637 /nfs/dbraw/zinc/97/76/37/435977637.db2.gz JOIXCNSJZGWTTJ-LBPRGKRZSA-N -1 3 316.170 3.222 20 30 DGEDHM C=CCOc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1 ZINC000665342323 435950638 /nfs/dbraw/zinc/95/06/38/435950638.db2.gz YECRLSUJYWGEER-UHFFFAOYSA-N -1 3 303.402 3.328 20 30 DGEDHM CCc1c[nH]c(=O)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000659115058 436462927 /nfs/dbraw/zinc/46/29/27/436462927.db2.gz OJSOEHSPZKQRPC-GFCCVEGCSA-N -1 3 315.398 3.420 20 30 DGEDHM Cc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2NC2CC2)c1 ZINC000535833966 313737243 /nfs/dbraw/zinc/73/72/43/313737243.db2.gz YXKUTXDVZRKRLX-UHFFFAOYSA-N -1 3 307.353 3.399 20 30 DGEDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000388937045 323657155 /nfs/dbraw/zinc/65/71/55/323657155.db2.gz VZJNMCMVZGYORB-DGCLKSJQSA-N -1 3 312.822 3.069 20 30 DGEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)C ZINC000119802687 332378617 /nfs/dbraw/zinc/37/86/17/332378617.db2.gz VMZKXCOFJGNMGA-OAHLLOKOSA-N -1 3 310.344 3.232 20 30 DGEDHM CCCCCCCCCCC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000179090310 333146279 /nfs/dbraw/zinc/14/62/79/333146279.db2.gz LQKAHNYESXHUHE-UHFFFAOYSA-N -1 3 319.449 3.185 20 30 DGEDHM C=CCCCN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000584534990 337357848 /nfs/dbraw/zinc/35/78/48/337357848.db2.gz MVRNAEYTYHYDRF-HNNXBMFYSA-N -1 3 319.401 3.044 20 30 DGEDHM CC(C)c1ccc(C(=O)NC2(C#N)CCSCC2)c([O-])c1 ZINC000436606771 338279649 /nfs/dbraw/zinc/27/96/49/338279649.db2.gz MYTOAJAGKKXZBX-UHFFFAOYSA-N -1 3 304.415 3.035 20 30 DGEDHM C=CCCO[C@H](C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125338464 340803690 /nfs/dbraw/zinc/80/36/90/340803690.db2.gz NVFAOULWBJOPSQ-SECBINFHSA-N -1 3 303.280 3.331 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)cc1F ZINC000184209372 534102523 /nfs/dbraw/zinc/10/25/23/534102523.db2.gz HFKCAMZYFJMLQH-INIZCTEOSA-N -1 3 324.421 3.026 20 30 DGEDHM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cccc([O-])c1 ZINC000349641646 534328124 /nfs/dbraw/zinc/32/81/24/534328124.db2.gz DVTKZZUSTNTKPE-UHFFFAOYSA-N -1 3 314.344 3.439 20 30 DGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(=O)[n-]1 ZINC000348980922 526336387 /nfs/dbraw/zinc/33/63/87/526336387.db2.gz VZKIPMROIKDJGX-UHFFFAOYSA-N -1 3 314.819 3.392 20 30 DGEDHM C=C(C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000351331053 526820634 /nfs/dbraw/zinc/82/06/34/526820634.db2.gz QXJWILCHSZLZSB-LBPRGKRZSA-N -1 3 310.325 3.174 20 30 DGEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)cc1[O-] ZINC000331241763 527219868 /nfs/dbraw/zinc/21/98/68/527219868.db2.gz QIJIVWCKHLIMRL-WMLDXEAASA-N -1 3 319.401 3.351 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCO[C@H]2CC(C)C)cc1[O-] ZINC000331360970 527220205 /nfs/dbraw/zinc/22/02/05/527220205.db2.gz YLPRIEWHSDSXGA-WBVHZDCISA-N -1 3 319.401 3.493 20 30 DGEDHM CCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCC1 ZINC000443379754 527750973 /nfs/dbraw/zinc/75/09/73/527750973.db2.gz YVDFMGXLTNTWML-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM CC(C)CCOc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354478578 527776841 /nfs/dbraw/zinc/77/68/41/527776841.db2.gz VILXONYEPBLFNU-INIZCTEOSA-N -1 3 309.369 3.392 20 30 DGEDHM CCOCCC1(C/N=C/c2ccc(O)c([O-])c2O)CCCC1 ZINC000155033031 528613048 /nfs/dbraw/zinc/61/30/48/528613048.db2.gz VTEQOXLZYCFSPG-WOJGMQOQSA-N -1 3 307.390 3.209 20 30 DGEDHM CCCCO[C@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000176414361 528649348 /nfs/dbraw/zinc/64/93/48/528649348.db2.gz UYJJJPRXEQXFTF-BCZDJZIOSA-N -1 3 307.390 3.206 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000416942018 529270827 /nfs/dbraw/zinc/27/08/27/529270827.db2.gz AOLBVWCCJDTMGM-LBPRGKRZSA-N -1 3 320.336 3.225 20 30 DGEDHM O=C(COc1ccc(F)cc1F)Nc1nnc(-c2ccco2)[n-]1 ZINC000078253176 545744953 /nfs/dbraw/zinc/74/49/53/545744953.db2.gz UFROQMHRBVUZPD-UHFFFAOYSA-N -1 3 320.255 3.010 20 30 DGEDHM O=C(COc1ccc(F)cc1F)Nc1nc(-c2ccco2)n[n-]1 ZINC000078253176 545744960 /nfs/dbraw/zinc/74/49/60/545744960.db2.gz UFROQMHRBVUZPD-UHFFFAOYSA-N -1 3 320.255 3.010 20 30 DGEDHM O=C(COc1ccc(F)cc1F)Nc1n[n-]c(-c2ccco2)n1 ZINC000078253176 545744971 /nfs/dbraw/zinc/74/49/71/545744971.db2.gz UFROQMHRBVUZPD-UHFFFAOYSA-N -1 3 320.255 3.010 20 30 DGEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281651656 546388888 /nfs/dbraw/zinc/38/88/88/546388888.db2.gz YNOSODLTHWSCKT-RDTXWAMCSA-N -1 3 311.381 3.256 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc1[O-] ZINC000668789586 547542380 /nfs/dbraw/zinc/54/23/80/547542380.db2.gz ZUNQZMWIINAIHL-SFHVURJKSA-N -1 3 314.385 3.187 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3coc(C4CC4)n3)[nH]c21 ZINC000670119522 547728582 /nfs/dbraw/zinc/72/85/82/547728582.db2.gz IPHKHUBMJNRSPD-NSHDSACASA-N -1 3 306.325 3.227 20 30 DGEDHM Cc1ccc(C[C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000731155954 574544354 /nfs/dbraw/zinc/54/43/54/574544354.db2.gz XKVAKKKDCRNHKG-DGURAOSJSA-N -1 3 312.413 3.255 20 30 DGEDHM COc1cccc([O-])c1/C=N/[C@H]1CCOc2ccc(F)cc21 ZINC000731562185 574552471 /nfs/dbraw/zinc/55/24/71/574552471.db2.gz PGEICNWPTPFQHY-FVOVHSBVSA-N -1 3 301.317 3.483 20 30 DGEDHM COC(=O)C[C@H](/N=C/c1ccccc1[O-])c1ccc(OC)cc1 ZINC000732770061 574582092 /nfs/dbraw/zinc/58/20/92/574582092.db2.gz UDLPAOXUYWAVKW-QUYZQLMHSA-N -1 3 313.353 3.124 20 30 DGEDHM CCOc1cc(C/N=C/c2c([O-])cccc2OC)ccc1OC ZINC000733904494 574642294 /nfs/dbraw/zinc/64/22/94/574642294.db2.gz XWHOZCRURNWABT-XDHOZWIPSA-N -1 3 315.369 3.427 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@@](C)(O)c1ccc(F)cc1F ZINC000733903696 574642314 /nfs/dbraw/zinc/64/23/14/574642314.db2.gz PCZJBWCLDURFCH-YMBPQHFPSA-N -1 3 321.323 3.006 20 30 DGEDHM CCOc1ccc(C=Nc2cccc(C[S@@](C)=O)c2)c([O-])c1 ZINC000734366406 574657881 /nfs/dbraw/zinc/65/78/81/574657881.db2.gz QNAOBYDIAPSSLY-JOCHJYFZSA-N -1 3 317.410 3.420 20 30 DGEDHM C#Cc1cccc(N(CC)Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735390914 574700480 /nfs/dbraw/zinc/70/04/80/574700480.db2.gz IMPLSAGPGNYZCN-UHFFFAOYSA-N -1 3 321.359 3.014 20 30 DGEDHM C#Cc1cccc(N(CC)Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735390914 574700482 /nfs/dbraw/zinc/70/04/82/574700482.db2.gz IMPLSAGPGNYZCN-UHFFFAOYSA-N -1 3 321.359 3.014 20 30 DGEDHM C=CC1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000735409160 574701313 /nfs/dbraw/zinc/70/13/13/574701313.db2.gz BXRPUIVDNSWDNF-UHFFFAOYSA-N -1 3 323.322 3.288 20 30 DGEDHM C=CC1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000735409160 574701314 /nfs/dbraw/zinc/70/13/14/574701314.db2.gz BXRPUIVDNSWDNF-UHFFFAOYSA-N -1 3 323.322 3.288 20 30 DGEDHM C=CCN1C(=O)C(=N[N-]c2c(F)cccc2F)c2ccccc21 ZINC000735614723 574709649 /nfs/dbraw/zinc/70/96/49/574709649.db2.gz CBKKODHJFIZZTH-UHFFFAOYSA-N -1 3 313.307 3.314 20 30 DGEDHM C[C@H](Nc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139998 574732985 /nfs/dbraw/zinc/73/29/85/574732985.db2.gz SPAVTRKGISGRMD-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736139998 574732986 /nfs/dbraw/zinc/73/29/86/574732986.db2.gz SPAVTRKGISGRMD-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM CCCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736444137 574752767 /nfs/dbraw/zinc/75/27/67/574752767.db2.gz DYDXABFRDDPCET-UHFFFAOYSA-N -1 3 312.377 3.037 20 30 DGEDHM CCCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736444137 574752769 /nfs/dbraw/zinc/75/27/69/574752769.db2.gz DYDXABFRDDPCET-UHFFFAOYSA-N -1 3 312.377 3.037 20 30 DGEDHM CCCCCCCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736448323 574752789 /nfs/dbraw/zinc/75/27/89/574752789.db2.gz WSMIYLIRZBGHAP-UHFFFAOYSA-N -1 3 320.368 3.410 20 30 DGEDHM CCCCCCCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736448323 574752791 /nfs/dbraw/zinc/75/27/91/574752791.db2.gz WSMIYLIRZBGHAP-UHFFFAOYSA-N -1 3 320.368 3.410 20 30 DGEDHM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736494258 574755481 /nfs/dbraw/zinc/75/54/81/574755481.db2.gz KMKWYAFTJZBPMY-SFHVURJKSA-N -1 3 324.380 3.261 20 30 DGEDHM CC(C)Oc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736495285 574755568 /nfs/dbraw/zinc/75/55/68/574755568.db2.gz VIWBQYSVRWUKDJ-SFHVURJKSA-N -1 3 324.380 3.261 20 30 DGEDHM CCN(CC)c1ccc(/C=[NH+]/C[C@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000737089393 574823069 /nfs/dbraw/zinc/82/30/69/574823069.db2.gz UNOWNLRFPCMJKY-BKQORJHRSA-N -1 3 320.433 3.404 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737254381 574830791 /nfs/dbraw/zinc/83/07/91/574830791.db2.gz WQHCGXRZHOVFHF-YVMONPNESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737254381 574830793 /nfs/dbraw/zinc/83/07/93/574830793.db2.gz WQHCGXRZHOVFHF-YVMONPNESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737330471 574838717 /nfs/dbraw/zinc/83/87/17/574838717.db2.gz REGUOTACYHNPHH-WTKPLQERSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737330471 574838720 /nfs/dbraw/zinc/83/87/20/574838720.db2.gz REGUOTACYHNPHH-WTKPLQERSA-N -1 3 308.316 3.210 20 30 DGEDHM COc1ccc(CCNN=C(C)c2cc(F)ccc2[O-])cc1 ZINC000737439719 574843435 /nfs/dbraw/zinc/84/34/35/574843435.db2.gz DPERGDHWYXLYPM-UHFFFAOYSA-N -1 3 302.349 3.096 20 30 DGEDHM N#Cc1cccc(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737730338 574854939 /nfs/dbraw/zinc/85/49/39/574854939.db2.gz IITBKOBGEUEHIY-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(CSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737730338 574854941 /nfs/dbraw/zinc/85/49/41/574854941.db2.gz IITBKOBGEUEHIY-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM Cc1ccc([C@@H](O)C/N=C/c2cc(Br)ccc2[O-])o1 ZINC000741165054 574952530 /nfs/dbraw/zinc/95/25/30/574952530.db2.gz FHDQARMCCZBIOY-HFVKVNHUSA-N -1 3 324.174 3.209 20 30 DGEDHM COc1cccc([O-])c1/C=N/[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000741841958 574973072 /nfs/dbraw/zinc/97/30/72/574973072.db2.gz CUUBNZTZSOQMAY-WKARSFIWSA-N -1 3 324.380 3.014 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@H](C)Oc1ccccc1F ZINC000743041817 575032644 /nfs/dbraw/zinc/03/26/44/575032644.db2.gz CULAYHNPYNVPHS-MKFNJMOCSA-N -1 3 303.333 3.426 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@@H](C)Oc1ccccc1OC ZINC000743043791 575032983 /nfs/dbraw/zinc/03/29/83/575032983.db2.gz ACXYKEVIFYWGRJ-CQLSMYGBSA-N -1 3 315.369 3.296 20 30 DGEDHM CC(C)C1CCC(=N[N-]S(=O)(=O)CCc2ccccc2)CC1 ZINC000743448451 575051680 /nfs/dbraw/zinc/05/16/80/575051680.db2.gz PLRDNNHUEWCDHL-UHFFFAOYSA-N -1 3 322.474 3.351 20 30 DGEDHM C[C@@H](/N=C\c1c([O-])ccc2ccccc21)C(=O)NCc1ccco1 ZINC000743539213 575056139 /nfs/dbraw/zinc/05/61/39/575056139.db2.gz XZFXPYLQGDIASE-UAAGNOOKSA-N -1 3 322.364 3.262 20 30 DGEDHM CCCC[C@@H]1CCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448302 575051974 /nfs/dbraw/zinc/05/19/74/575051974.db2.gz JAMRLOCKXNJJSR-MRXNPFEDSA-N -1 3 322.474 3.495 20 30 DGEDHM C#CCN(Cn1[n-]c(C(C)(C)C)nc1=S)C1CCCCC1 ZINC000744153682 575074626 /nfs/dbraw/zinc/07/46/26/575074626.db2.gz BJAIELKGGXZPAH-UHFFFAOYSA-N -1 3 306.479 3.464 20 30 DGEDHM COc1cccc([O-])c1/C=N\Cc1ccc(N(C)C)c(F)c1 ZINC000746681719 575289429 /nfs/dbraw/zinc/28/94/29/575289429.db2.gz OEFKOQOQDNAIIO-ODLFYWEKSA-N -1 3 302.349 3.225 20 30 DGEDHM CSc1ccc(F)cc1C/N=C/c1ccc(O)c([O-])c1O ZINC000745977416 575425745 /nfs/dbraw/zinc/42/57/45/575425745.db2.gz VDMNOWLWKAMJDP-REZTVBANSA-N -1 3 307.346 3.284 20 30 DGEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1nnc2ccccn21 ZINC000745991241 575426579 /nfs/dbraw/zinc/42/65/79/575426579.db2.gz SDHBPVMTZQRWGX-HLGUWXJESA-N -1 3 300.749 3.268 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNc1cc(F)c(F)c(F)c1)C(=O)[N-]2 ZINC000747641659 575528548 /nfs/dbraw/zinc/52/85/48/575528548.db2.gz CEWGHTTVWXZGAI-UHFFFAOYSA-N -1 3 323.249 3.320 20 30 DGEDHM COC(=O)N1CCC[C@H](/N=C\c2c([O-])ccc3ccccc32)C1 ZINC000726429015 576021194 /nfs/dbraw/zinc/02/11/94/576021194.db2.gz IQBNKAGYQIRHKA-KVMVOAJRSA-N -1 3 312.369 3.195 20 30 DGEDHM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[O-])cc1 ZINC000727867900 576150917 /nfs/dbraw/zinc/15/09/17/576150917.db2.gz IRTXMNKIGZXZFB-UHFFFAOYSA-N -1 3 310.353 3.282 20 30 DGEDHM CC(=NNC(=S)NC1CCCCC1)c1ccc([O-])c(F)c1 ZINC000728427537 576181111 /nfs/dbraw/zinc/18/11/11/576181111.db2.gz QMSPDRPKYRMYRC-UHFFFAOYSA-N -1 3 309.410 3.052 20 30 DGEDHM NC(=O)CC1(C/N=C/c2cc(Cl)ccc2[O-])CCCCC1 ZINC000852999360 620658877 /nfs/dbraw/zinc/65/88/77/620658877.db2.gz ZWEBCGCOUYPHHB-VXLYETTFSA-N -1 3 308.809 3.290 20 30 DGEDHM CC(C)CCOc1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1 ZINC000917554326 620675356 /nfs/dbraw/zinc/67/53/56/620675356.db2.gz BRMVELYFUZGTAQ-UHFFFAOYSA-N -1 3 324.388 3.224 20 30 DGEDHM C=CCO[N-]C(=O)CCCc1ccc(Br)s1 ZINC000837043577 630205740 /nfs/dbraw/zinc/20/57/40/630205740.db2.gz QHIPHMHAUCKANJ-UHFFFAOYSA-N -1 3 304.209 3.067 20 30 DGEDHM COc1ccc(C=NOCC2CCC2)c(Br)c1[O-] ZINC000853439253 620694790 /nfs/dbraw/zinc/69/47/90/620694790.db2.gz GHEUDKDWORHQKK-UHFFFAOYSA-N -1 3 314.179 3.314 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccc(F)c1Br ZINC000846555054 617771580 /nfs/dbraw/zinc/77/15/80/617771580.db2.gz QSQQZJPLIXAYRG-VIFPVBQESA-N -1 3 316.170 3.143 20 30 DGEDHM CC[C@](C)(C/N=C/c1cc(Br)ccc1[O-])OC ZINC000840708028 618980550 /nfs/dbraw/zinc/98/05/50/618980550.db2.gz UEZUXOJFSMQSAP-MGMWDDNKSA-N -1 3 300.196 3.389 20 30 DGEDHM CCCCCCCC[C@@H](C)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898258441 619229760 /nfs/dbraw/zinc/22/97/60/619229760.db2.gz QMKPIXWVIQCUMC-CYBMUJFWSA-N -1 3 307.438 3.494 20 30 DGEDHM CCc1onc(C)c1/C=C\C(=O)c1cc(OC)c([O-])cc1OC ZINC000899364175 619329411 /nfs/dbraw/zinc/32/94/11/619329411.db2.gz ZRWIHITWDPFREW-SREVYHEPSA-N -1 3 317.341 3.164 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2cnn(CC3CCC3)c2)cc(O)c1[O-] ZINC000899381349 619334819 /nfs/dbraw/zinc/33/48/19/619334819.db2.gz OOHHBMBMBLNOHV-WAYWQWQTSA-N -1 3 312.369 3.299 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2cnn(CC3CCC3)c2)cc(O)c1[O-] ZINC000899381348 619335048 /nfs/dbraw/zinc/33/50/48/619335048.db2.gz OOHHBMBMBLNOHV-AATRIKPKSA-N -1 3 312.369 3.299 20 30 DGEDHM Cc1cc(C)cc([C@@H](NCc2csc(C#N)c2)C(=O)[O-])c1 ZINC000900030610 619391648 /nfs/dbraw/zinc/39/16/48/619391648.db2.gz DAIUJQGJZCUWRA-OAHLLOKOSA-N -1 3 300.383 3.152 20 30 DGEDHM CC#CC[C@@H](NCc1ccc(Cl)c(C)c1Cl)C(=O)[O-] ZINC000900047887 619397105 /nfs/dbraw/zinc/39/71/05/619397105.db2.gz YHAOKHYHOCXJRZ-GFCCVEGCSA-N -1 3 300.185 3.258 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n(C)n1 ZINC000900096482 619404539 /nfs/dbraw/zinc/40/45/39/619404539.db2.gz FSBGMHIIBQAGBO-UHFFFAOYSA-N -1 3 314.172 3.067 20 30 DGEDHM CCCCCCCC[C@H](N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000900462692 619430503 /nfs/dbraw/zinc/43/05/03/619430503.db2.gz KIHAUMDKEBBAMB-HNNXBMFYSA-N -1 3 306.406 3.401 20 30 DGEDHM Cc1csc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)n1 ZINC000900536768 619436174 /nfs/dbraw/zinc/43/61/74/619436174.db2.gz CAUKTTYADQQBJO-JTQLQIEISA-N -1 3 321.352 3.292 20 30 DGEDHM Cc1noc(C)c1[C@@H](C)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900711821 619446315 /nfs/dbraw/zinc/44/63/15/619446315.db2.gz CMIQUJZZSFTMSV-SECBINFHSA-N -1 3 319.311 3.132 20 30 DGEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(C2CC2)n1 ZINC000901372527 619488298 /nfs/dbraw/zinc/48/82/98/619488298.db2.gz FXMZPJUEXGQQAN-UHFFFAOYSA-N -1 3 300.333 3.438 20 30 DGEDHM CC[C@H](C)Oc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccn1 ZINC000901372512 619488399 /nfs/dbraw/zinc/48/83/99/619488399.db2.gz FKSOYGZFJXVKIV-LBPRGKRZSA-N -1 3 318.348 3.430 20 30 DGEDHM O=C(N([O-])Cc1ccc(F)cc1)C1(c2cccc(F)c2)CC1 ZINC000901372133 619490508 /nfs/dbraw/zinc/49/05/08/619490508.db2.gz RVXCUCRQIYTKRH-UHFFFAOYSA-N -1 3 303.308 3.414 20 30 DGEDHM O=C([C@@H]1CCOc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901374049 619491400 /nfs/dbraw/zinc/49/14/00/619491400.db2.gz CKLMXZPHVUFSQW-OAHLLOKOSA-N -1 3 301.317 3.110 20 30 DGEDHM O=C(CSc1ccc(F)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901375112 619491903 /nfs/dbraw/zinc/49/19/03/619491903.db2.gz CKPWKWQBOKXKJT-UHFFFAOYSA-N -1 3 309.337 3.475 20 30 DGEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000901376161 619492019 /nfs/dbraw/zinc/49/20/19/619492019.db2.gz PMUVPYIPYSFCJE-UHFFFAOYSA-N -1 3 304.277 3.074 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnn(CCF)c1 ZINC000901454708 619502209 /nfs/dbraw/zinc/50/22/09/619502209.db2.gz VRHCVNPYFRGVKU-VKRGWIQLSA-N -1 3 304.296 3.081 20 30 DGEDHM CCOc1cc(/C=C2\C(=O)c3nccn3[C@@H]2C)cc(Cl)c1[O-] ZINC000901560813 619516429 /nfs/dbraw/zinc/51/64/29/619516429.db2.gz NGGZOSIKAPKBCR-NJQKBMNKSA-N -1 3 318.760 3.482 20 30 DGEDHM Cn1ncc2c1nc(SCCCCC1(C#N)CCC1)[n-]c2=O ZINC000901584962 619522475 /nfs/dbraw/zinc/52/24/75/619522475.db2.gz BATPZOSKPLEMAF-UHFFFAOYSA-N -1 3 317.418 3.025 20 30 DGEDHM O=C([C@@H]1C[C@@]12CCOC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181828 619888930 /nfs/dbraw/zinc/88/89/30/619888930.db2.gz YQCOJEHHCORSFR-GXTWGEPZSA-N -1 3 316.184 3.138 20 30 DGEDHM C[C@H]1COCC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181558 619889067 /nfs/dbraw/zinc/88/90/67/619889067.db2.gz VDTUFVWGRPWRJZ-TVQRCGJNSA-N -1 3 318.200 3.384 20 30 DGEDHM CC(C)(O)C1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904178143 619892993 /nfs/dbraw/zinc/89/29/93/619892993.db2.gz ZUNYADJUQFVWLG-UHFFFAOYSA-N -1 3 309.381 3.121 20 30 DGEDHM CC(C)c1cc(C(=O)N([O-])Cc2ccccc2Cl)nn1C ZINC000904188698 619894650 /nfs/dbraw/zinc/89/46/50/619894650.db2.gz JZHIIJUFQZEIOJ-UHFFFAOYSA-N -1 3 307.781 3.229 20 30 DGEDHM O=C([C@H]1CCC(=O)c2cccn21)N([O-])Cc1ccccc1Cl ZINC000904190412 619895156 /nfs/dbraw/zinc/89/51/56/619895156.db2.gz LLCIGRIFBRRDOS-CQSZACIVSA-N -1 3 318.760 3.077 20 30 DGEDHM C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193942 619895475 /nfs/dbraw/zinc/89/54/75/619895475.db2.gz ZCBSITQXXPXYKM-ZWNOBZJWSA-N -1 3 319.792 3.147 20 30 DGEDHM O=C([C@H]1CCc2cccnc21)N([O-])Cc1ccccc1Cl ZINC000904193933 619895758 /nfs/dbraw/zinc/89/57/58/619895758.db2.gz YTJVYVVEGQMXHS-ZDUSSCGKSA-N -1 3 302.761 3.183 20 30 DGEDHM C[C@H]1CCCc2ncc(C(=O)N([O-])Cc3ccccc3Cl)n21 ZINC000904193900 619895808 /nfs/dbraw/zinc/89/58/08/619895808.db2.gz YQKLZPXGSJFMCA-NSHDSACASA-N -1 3 319.792 3.465 20 30 DGEDHM C[C@H](CC(=O)N([O-])CCCCc1ccccc1)n1ccnc1 ZINC000904195267 619896077 /nfs/dbraw/zinc/89/60/77/619896077.db2.gz APBKEUZJLJMNMQ-OAHLLOKOSA-N -1 3 301.390 3.075 20 30 DGEDHM O=C([C@@H]1CCCc2n[nH]cc21)N([O-])CCCCc1ccccc1 ZINC000904197075 619896548 /nfs/dbraw/zinc/89/65/48/619896548.db2.gz QKILRDBMSVJQER-OAHLLOKOSA-N -1 3 313.401 3.070 20 30 DGEDHM C[C@H]1C(=O)CC[C@H]1CC(=O)N([O-])CCCCc1ccccc1 ZINC000904198106 619896759 /nfs/dbraw/zinc/89/67/59/619896759.db2.gz TWIKRDMXNYPKBH-ZBFHGGJFSA-N -1 3 303.402 3.232 20 30 DGEDHM Cc1cc(C2(C(=O)N([O-])CCCCc3ccccc3)CC2)on1 ZINC000904196375 619896901 /nfs/dbraw/zinc/89/69/01/619896901.db2.gz UEOAEFKEKFIOGB-UHFFFAOYSA-N -1 3 314.385 3.255 20 30 DGEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)C(C)(C)CC2 ZINC000906264024 620081901 /nfs/dbraw/zinc/08/19/01/620081901.db2.gz CSDLOLMFBBHJKY-UHFFFAOYSA-N -1 3 301.371 3.392 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-][C@](C)(C#N)CC(C)C)c1 ZINC000906479015 620101180 /nfs/dbraw/zinc/10/11/80/620101180.db2.gz JFTVGJDCPIDMEI-HNNXBMFYSA-N -1 3 310.344 3.232 20 30 DGEDHM C=CC[C@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906725826 620117188 /nfs/dbraw/zinc/11/71/88/620117188.db2.gz VKWGMFRBMKXRDP-VIFPVBQESA-N -1 3 311.407 3.185 20 30 DGEDHM [O-]c1ccc(Cl)cc1C=NN1C(=S)N=NC1c1ccco1 ZINC000916313745 620625891 /nfs/dbraw/zinc/62/58/91/620625891.db2.gz CFUXNGRFPTUKNK-UHFFFAOYSA-N -1 3 320.761 3.068 20 30 DGEDHM CCCNC(=S)NN=C(C)c1ccc2ccccc2c1[O-] ZINC000916357404 620626683 /nfs/dbraw/zinc/62/66/83/620626683.db2.gz OTMSBDKPRHZHLT-UHFFFAOYSA-N -1 3 301.415 3.144 20 30 DGEDHM C=CCCO[N-]C(=O)CCc1cc(Br)cs1 ZINC000856032329 620955272 /nfs/dbraw/zinc/95/52/72/620955272.db2.gz MEDWIWBMDCDAOE-UHFFFAOYSA-N -1 3 304.209 3.067 20 30 DGEDHM C#CC[C@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857294859 621077025 /nfs/dbraw/zinc/07/70/25/621077025.db2.gz KYJDEIGUKTYRNT-NSHDSACASA-N -1 3 311.303 3.287 20 30 DGEDHM C#CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000754489483 621513041 /nfs/dbraw/zinc/51/30/41/621513041.db2.gz ZZURRYSLQHZTMS-UHFFFAOYSA-N -1 3 301.729 3.310 20 30 DGEDHM Cc1ccc(N=NC(C)c2ccc(Br)cc2[O-])nn1 ZINC000756827723 621667003 /nfs/dbraw/zinc/66/70/03/621667003.db2.gz YWJQPKWPSUOHHL-UHFFFAOYSA-N -1 3 321.178 3.089 20 30 DGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)cc1 ZINC000756917591 621672859 /nfs/dbraw/zinc/67/28/59/621672859.db2.gz AHAGQWJAPWNQBB-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CC2(Cc3ccccc3)CCC2)c1[O-] ZINC000757530288 621721032 /nfs/dbraw/zinc/72/10/32/621721032.db2.gz LCNZSNJLGXOPEY-MTJSOVHGSA-N -1 3 324.424 3.420 20 30 DGEDHM COC(C)(C)CC/N=C/c1cc(Br)ccc1[O-] ZINC000864347015 621759337 /nfs/dbraw/zinc/75/93/37/621759337.db2.gz IKTAMEJDXFCWNY-OQLLNIDSSA-N -1 3 300.196 3.389 20 30 DGEDHM C#CCCCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000758481307 621784667 /nfs/dbraw/zinc/78/46/67/621784667.db2.gz KFTKFXXUCCMHOY-UHFFFAOYSA-N -1 3 324.384 3.083 20 30 DGEDHM Clc1ccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c2ncccc12 ZINC000760253778 621924908 /nfs/dbraw/zinc/92/49/08/621924908.db2.gz MDTYHAHRHHAUAJ-UHFFFAOYSA-N -1 3 323.747 3.001 20 30 DGEDHM C#CCOc1ccccc1-c1noc(-c2cc(OC)ccc2[O-])n1 ZINC000761996819 622044450 /nfs/dbraw/zinc/04/44/50/622044450.db2.gz RJHLFJUGTITASU-UHFFFAOYSA-N -1 3 322.320 3.130 20 30 DGEDHM COC[C@@H](N[C@H](C)c1cccc(C#N)c1[O-])c1ccc(C)o1 ZINC000866277722 622083403 /nfs/dbraw/zinc/08/34/03/622083403.db2.gz PNITZHPFKKSDLF-IUODEOHRSA-N -1 3 300.358 3.204 20 30 DGEDHM C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccc(C#N)c1[O-] ZINC000866343624 622098277 /nfs/dbraw/zinc/09/82/77/622098277.db2.gz MEVXRBZVHUFTBG-ZDUSSCGKSA-N -1 3 321.380 3.086 20 30 DGEDHM C[C@@H](N[C@H](CCO)c1ccccc1F)c1cccc(C#N)c1[O-] ZINC000866381134 622107315 /nfs/dbraw/zinc/10/73/15/622107315.db2.gz HYEOJLGQBBAEHC-SJKOYZFVSA-N -1 3 314.360 3.177 20 30 DGEDHM CCC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc([O-])c(F)c1 ZINC000764680445 622212776 /nfs/dbraw/zinc/21/27/76/622212776.db2.gz BZKLBJQDFFCRQE-UHFFFAOYSA-N -1 3 304.281 3.061 20 30 DGEDHM Cc1oc2ccccc2c1C/N=C\c1c([O-])c(C)ncc1CO ZINC000767335831 622390829 /nfs/dbraw/zinc/39/08/29/622390829.db2.gz BAZVGFDCOGJENJ-OCKHKDLRSA-N -1 3 310.353 3.262 20 30 DGEDHM N#CCSc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000769559917 622540802 /nfs/dbraw/zinc/54/08/02/622540802.db2.gz IFBKEQOMJAHBJH-UHFFFAOYSA-N -1 3 316.357 3.077 20 30 DGEDHM [O-]c1ccc(Br)c(C=Nn2cnc3ccccc32)c1 ZINC000769796919 622561408 /nfs/dbraw/zinc/56/14/08/622561408.db2.gz NMPLXMODRYSNNQ-UHFFFAOYSA-N -1 3 316.158 3.387 20 30 DGEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1sccc1[O-] ZINC000769799096 622561414 /nfs/dbraw/zinc/56/14/14/622561414.db2.gz HCJVXBSOFZORET-UHFFFAOYSA-N -1 3 302.281 3.099 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc(Cl)n1 ZINC000123687856 622642771 /nfs/dbraw/zinc/64/27/71/622642771.db2.gz RNHHYEFTIVPZQV-LLVKDONJSA-N -1 3 310.744 3.410 20 30 DGEDHM CCOCCON=C(CC)c1cc(Br)ccc1[O-] ZINC000774436706 623144267 /nfs/dbraw/zinc/14/42/67/623144267.db2.gz UWGNQHNTRCVJKB-UHFFFAOYSA-N -1 3 316.195 3.322 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000874641301 623314777 /nfs/dbraw/zinc/31/47/77/623314777.db2.gz KXKXVLIUGQINTD-MRVPVSSYSA-N -1 3 308.250 3.489 20 30 DGEDHM COC(=O)c1ccccc1NN=C(C)c1ccc([O-])cc1F ZINC000776190060 623393332 /nfs/dbraw/zinc/39/33/32/623393332.db2.gz WYELYFPGXZULDB-UHFFFAOYSA-N -1 3 302.305 3.154 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(F)cc2Cl)c1 ZINC000776274562 623404815 /nfs/dbraw/zinc/40/48/15/623404815.db2.gz NXSCNBKXGNCXTF-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM C[C@H]1CCCC[C@@H]1OCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273198 623405409 /nfs/dbraw/zinc/40/54/09/623405409.db2.gz DKFOGBZASLMHEC-LRDDRELGSA-N -1 3 303.358 3.016 20 30 DGEDHM N#CCc1ccccc1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000777428044 623523495 /nfs/dbraw/zinc/52/34/95/623523495.db2.gz ANSIJWCYMVSIKI-UHFFFAOYSA-N -1 3 300.745 3.293 20 30 DGEDHM [O-]c1ccc(Br)cc1C=NOCCC(F)(F)F ZINC000777462732 623529317 /nfs/dbraw/zinc/52/93/17/623529317.db2.gz JXHNXRAUEXEXJM-UHFFFAOYSA-N -1 3 312.085 3.458 20 30 DGEDHM C#CC[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000777719430 623560628 /nfs/dbraw/zinc/56/06/28/623560628.db2.gz DDPTYGCYFKTACE-GOSISDBHSA-N -1 3 319.360 3.353 20 30 DGEDHM C=CC[C@@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000778740566 623688455 /nfs/dbraw/zinc/68/84/55/623688455.db2.gz YWQAADODYQOQCU-MRXNPFEDSA-N -1 3 312.369 3.202 20 30 DGEDHM CO[C@@H]1CCOc2c(N=Cc3ccc(O)c([O-])c3O)cccc21 ZINC000790597423 625675076 /nfs/dbraw/zinc/67/50/76/625675076.db2.gz CDWDAXNSJJOBCU-CQSZACIVSA-N -1 3 315.325 3.024 20 30 DGEDHM Cc1cc(CO[N-]C(=O)CCCc2ccccc2)ccc1C#N ZINC000783025290 624301236 /nfs/dbraw/zinc/30/12/36/624301236.db2.gz BNTLDEQYCPEVTA-UHFFFAOYSA-N -1 3 308.381 3.437 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(C)c1 ZINC000796791945 626083600 /nfs/dbraw/zinc/08/36/00/626083600.db2.gz DURJAMPSAHMTKF-LBPRGKRZSA-N -1 3 314.366 3.026 20 30 DGEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000797548546 626151997 /nfs/dbraw/zinc/15/19/97/626151997.db2.gz HEVDCPVSIULSOJ-LLVKDONJSA-N -1 3 316.744 3.457 20 30 DGEDHM COCC1(C/N=C/c2cc(Br)ccc2[O-])CCC1 ZINC000800722139 626372621 /nfs/dbraw/zinc/37/26/21/626372621.db2.gz WTTVBBQNCDIIDH-LZYBPNLTSA-N -1 3 312.207 3.390 20 30 DGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H]1CCCF ZINC000800811557 626376147 /nfs/dbraw/zinc/37/61/47/626376147.db2.gz ZCWNAASCPPWTOQ-CQSZACIVSA-N -1 3 312.410 3.012 20 30 DGEDHM CC(=NN=c1cc[nH]c(N(C)C)n1)c1cc(Cl)cc(C)c1[O-] ZINC000807972134 626781383 /nfs/dbraw/zinc/78/13/83/626781383.db2.gz NUCQBKZTLGFBNA-UHFFFAOYSA-N -1 3 319.796 3.046 20 30 DGEDHM CC(=NN=C(C)c1cc(Cl)cc(C)c1[O-])c1cnccn1 ZINC000807974757 626781639 /nfs/dbraw/zinc/78/16/39/626781639.db2.gz TVEMLFZCEZQQIJ-UHFFFAOYSA-N -1 3 302.765 3.377 20 30 DGEDHM CC(=O)N1C[C@@H]2CCC[C@H](/N=C\c3cc(Cl)ccc3[O-])[C@H]2C1 ZINC000809144214 626886314 /nfs/dbraw/zinc/88/63/14/626886314.db2.gz HJTJOAMNOUZWJO-QBRXXBSXSA-N -1 3 320.820 3.112 20 30 DGEDHM CC(=O)N1C[C@@H]2CCC[C@H](/N=C/c3cc(Cl)ccc3[O-])[C@H]2C1 ZINC000809144213 626886369 /nfs/dbraw/zinc/88/63/69/626886369.db2.gz HJTJOAMNOUZWJO-JOZNNFSHSA-N -1 3 320.820 3.112 20 30 DGEDHM C[C@@H]1C[C@]2(CC[C@@H](C/N=C/c3cc(Cl)ccc3[O-])O2)CO1 ZINC000887272365 627239673 /nfs/dbraw/zinc/23/96/73/627239673.db2.gz LUCIOMMIMUDKPV-VMWUGFGCSA-N -1 3 309.793 3.191 20 30 DGEDHM COc1ccc(C=NOC/C=C/Cl)c(Br)c1[O-] ZINC000811670679 627304745 /nfs/dbraw/zinc/30/47/45/627304745.db2.gz YQFHFAPBBBKHIY-UAXPWUOOSA-N -1 3 320.570 3.266 20 30 DGEDHM CC(C)OCc1cc(N=Cc2cccc(O)c2O)ccc1[O-] ZINC000811624431 627296717 /nfs/dbraw/zinc/29/67/17/627296717.db2.gz DWYKQABSXHTEHH-UHFFFAOYSA-N -1 3 301.342 3.479 20 30 DGEDHM C=CC[C@H](CO)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817560157 627919682 /nfs/dbraw/zinc/91/96/82/627919682.db2.gz KBSDKEQLNTZIHM-SECBINFHSA-N -1 3 324.154 3.138 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000819734301 628184252 /nfs/dbraw/zinc/18/42/52/628184252.db2.gz LGKVWGHPWHQTRS-UHFFFAOYSA-N -1 3 317.418 3.252 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000819734301 628184254 /nfs/dbraw/zinc/18/42/54/628184254.db2.gz LGKVWGHPWHQTRS-UHFFFAOYSA-N -1 3 317.418 3.252 20 30 DGEDHM C=CCOc1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819759263 628186481 /nfs/dbraw/zinc/18/64/81/628186481.db2.gz RECBXCGPFGCZCC-UHFFFAOYSA-N -1 3 308.341 3.011 20 30 DGEDHM C=CCOc1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819759263 628186487 /nfs/dbraw/zinc/18/64/87/628186487.db2.gz RECBXCGPFGCZCC-UHFFFAOYSA-N -1 3 308.341 3.011 20 30 DGEDHM Cc1ccccc1CC(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820301134 628244154 /nfs/dbraw/zinc/24/41/54/628244154.db2.gz VJWVEXGDRGWJNB-UHFFFAOYSA-N -1 3 306.373 3.206 20 30 DGEDHM Cc1ccccc1CC(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820301134 628244158 /nfs/dbraw/zinc/24/41/58/628244158.db2.gz VJWVEXGDRGWJNB-UHFFFAOYSA-N -1 3 306.373 3.206 20 30 DGEDHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820455536 628260829 /nfs/dbraw/zinc/26/08/29/628260829.db2.gz JINGXHZEWMRFRQ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820455536 628260833 /nfs/dbraw/zinc/26/08/33/628260833.db2.gz JINGXHZEWMRFRQ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM CC1(C)CCC(C=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820589719 628275229 /nfs/dbraw/zinc/27/52/29/628275229.db2.gz LJXXQSJZIIYPTJ-UHFFFAOYSA-N -1 3 312.421 3.159 20 30 DGEDHM CC1(C)CCC(C=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820589719 628275231 /nfs/dbraw/zinc/27/52/31/628275231.db2.gz LJXXQSJZIIYPTJ-UHFFFAOYSA-N -1 3 312.421 3.159 20 30 DGEDHM N#CC(=C([O-])C=C[C@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000821177661 628343464 /nfs/dbraw/zinc/34/34/64/628343464.db2.gz HZZJNXONVILXLM-LXYZTQFVSA-N -1 3 310.275 3.012 20 30 DGEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCCCC(C)(C)C#N ZINC000821412396 628365256 /nfs/dbraw/zinc/36/52/56/628365256.db2.gz KPKIGMVGKQUIFN-UHFFFAOYSA-N -1 3 314.393 3.007 20 30 DGEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCCCC(C)(C)C#N ZINC000821412396 628365260 /nfs/dbraw/zinc/36/52/60/628365260.db2.gz KPKIGMVGKQUIFN-UHFFFAOYSA-N -1 3 314.393 3.007 20 30 DGEDHM CCOc1ccc(O)c(C=Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821426339 628367513 /nfs/dbraw/zinc/36/75/13/628367513.db2.gz CUCJKWGNJIFTSG-UHFFFAOYSA-N -1 3 323.356 3.030 20 30 DGEDHM CCOc1ccc(O)c(C=Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821426339 628367515 /nfs/dbraw/zinc/36/75/15/628367515.db2.gz CUCJKWGNJIFTSG-UHFFFAOYSA-N -1 3 323.356 3.030 20 30 DGEDHM CCc1ccccc1NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821497125 628376973 /nfs/dbraw/zinc/37/69/73/628376973.db2.gz POKOUHQDOLWLFK-UHFFFAOYSA-N -1 3 310.336 3.014 20 30 DGEDHM CCc1ccccc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821497125 628376976 /nfs/dbraw/zinc/37/69/76/628376976.db2.gz POKOUHQDOLWLFK-UHFFFAOYSA-N -1 3 310.336 3.014 20 30 DGEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000822234009 628431982 /nfs/dbraw/zinc/43/19/82/628431982.db2.gz ZRVHKROTZAQQJE-XNTDXEJSSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000822234009 628431985 /nfs/dbraw/zinc/43/19/85/628431985.db2.gz ZRVHKROTZAQQJE-XNTDXEJSSA-N -1 3 316.364 3.388 20 30 DGEDHM Clc1ccc2c(c1)CC(N=Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC000822582453 628467573 /nfs/dbraw/zinc/46/75/73/628467573.db2.gz UJNAVDFGOLAHJT-UHFFFAOYSA-N -1 3 324.775 3.087 20 30 DGEDHM Clc1ccc2c(c1)CC(N=Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC000822582453 628467574 /nfs/dbraw/zinc/46/75/74/628467574.db2.gz UJNAVDFGOLAHJT-UHFFFAOYSA-N -1 3 324.775 3.087 20 30 DGEDHM Fc1c(Cl)cccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822737215 628486599 /nfs/dbraw/zinc/48/65/99/628486599.db2.gz QPOIATCVUQZANF-UHFFFAOYSA-N -1 3 322.756 3.167 20 30 DGEDHM N#Cc1ccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822832537 628500485 /nfs/dbraw/zinc/50/04/85/628500485.db2.gz CGFXQLSTCLAZOY-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822832537 628500486 /nfs/dbraw/zinc/50/04/86/628500486.db2.gz CGFXQLSTCLAZOY-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(F)c(F)c1 ZINC000822922562 628509477 /nfs/dbraw/zinc/50/94/77/628509477.db2.gz HNYSPXWCOPSJCP-GORDUTHDSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c2ccccc12 ZINC000822924186 628510417 /nfs/dbraw/zinc/51/04/17/628510417.db2.gz YRQACVVVVCTZNP-ALCCZGGFSA-N -1 3 321.365 3.306 20 30 DGEDHM C=C(CC)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823883541 628606917 /nfs/dbraw/zinc/60/69/17/628606917.db2.gz SXSXSWUBNGKCJO-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM C=C(CC)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823883541 628606919 /nfs/dbraw/zinc/60/69/19/628606919.db2.gz SXSXSWUBNGKCJO-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958114 628613622 /nfs/dbraw/zinc/61/36/22/628613622.db2.gz CLLZLHVYHKIPEE-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958114 628613624 /nfs/dbraw/zinc/61/36/24/628613624.db2.gz CLLZLHVYHKIPEE-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1 ZINC000823958319 628614029 /nfs/dbraw/zinc/61/40/29/628614029.db2.gz IVDNIDICBIAKEC-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1 ZINC000823958319 628614031 /nfs/dbraw/zinc/61/40/31/628614031.db2.gz IVDNIDICBIAKEC-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM CC(=NNc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958389 628614074 /nfs/dbraw/zinc/61/40/74/628614074.db2.gz MCQFMFNYXMDBLH-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958389 628614075 /nfs/dbraw/zinc/61/40/75/628614075.db2.gz MCQFMFNYXMDBLH-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958830 628614158 /nfs/dbraw/zinc/61/41/58/628614158.db2.gz YHYHQLMOROROLO-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958838 628614272 /nfs/dbraw/zinc/61/42/72/628614272.db2.gz YSSYXGQFUVOISR-UHFFFAOYSA-N -1 3 312.402 3.381 20 30 DGEDHM CCCCC(CC)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825260335 628743374 /nfs/dbraw/zinc/74/33/74/628743374.db2.gz ODLVNRAEXAGRCF-UHFFFAOYSA-N -1 3 307.789 3.283 20 30 DGEDHM CCCCC(CC)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825260335 628743379 /nfs/dbraw/zinc/74/33/79/628743379.db2.gz ODLVNRAEXAGRCF-UHFFFAOYSA-N -1 3 307.789 3.283 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826264553 628836564 /nfs/dbraw/zinc/83/65/64/628836564.db2.gz RWQLQANNXYIKHG-FPLPWBNLSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826264553 628836566 /nfs/dbraw/zinc/83/65/66/628836566.db2.gz RWQLQANNXYIKHG-FPLPWBNLSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826294619 628841223 /nfs/dbraw/zinc/84/12/23/628841223.db2.gz XHGWOBCBCNSCHK-NTUHNPAUSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826294619 628841225 /nfs/dbraw/zinc/84/12/25/628841225.db2.gz XHGWOBCBCNSCHK-NTUHNPAUSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826294324 628841359 /nfs/dbraw/zinc/84/13/59/628841359.db2.gz OGFNOXHNMKXANE-GDNBJRDFSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826294324 628841360 /nfs/dbraw/zinc/84/13/60/628841360.db2.gz OGFNOXHNMKXANE-GDNBJRDFSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826297660 628841951 /nfs/dbraw/zinc/84/19/51/628841951.db2.gz OGXVGCXJLBIRTK-YVMONPNESA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826297660 628841959 /nfs/dbraw/zinc/84/19/59/628841959.db2.gz OGXVGCXJLBIRTK-YVMONPNESA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826297982 628842282 /nfs/dbraw/zinc/84/22/82/628842282.db2.gz YOVUXHLCQRXWQC-VMPITWQZSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826297982 628842286 /nfs/dbraw/zinc/84/22/86/628842286.db2.gz YOVUXHLCQRXWQC-VMPITWQZSA-N -1 3 308.316 3.210 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc(F)cc(F)c1 ZINC000826401907 628851965 /nfs/dbraw/zinc/85/19/65/628851965.db2.gz JEGKFHQOCVNOEF-WAYWQWQTSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000826401907 628851968 /nfs/dbraw/zinc/85/19/68/628851968.db2.gz JEGKFHQOCVNOEF-WAYWQWQTSA-N -1 3 312.279 3.041 20 30 DGEDHM Cc1cccc2c1CCN([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832974474 629542876 /nfs/dbraw/zinc/54/28/76/629542876.db2.gz NFFQDXRQQYQNFR-GOSISDBHSA-N -1 3 306.365 3.051 20 30 DGEDHM N#CC(C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1ccc2ccccc2n1 ZINC000833062448 629553800 /nfs/dbraw/zinc/55/38/00/629553800.db2.gz BRRMDVKROYLEBV-KKUMJFAQSA-N -1 3 322.364 3.302 20 30 DGEDHM CC(C)(C#N)CCN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833407398 629599778 /nfs/dbraw/zinc/59/97/78/629599778.db2.gz KFNHUEOYMLOLIF-UHFFFAOYSA-N -1 3 310.344 3.181 20 30 DGEDHM CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000833636525 629633512 /nfs/dbraw/zinc/63/35/12/629633512.db2.gz VEKRUFCWKUVFHV-KRWDZBQOSA-N -1 3 324.380 3.356 20 30 DGEDHM CC[C@](NCc1cc(C#N)ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000833643979 629634739 /nfs/dbraw/zinc/63/47/39/629634739.db2.gz JWLRLZOWTNENDZ-LJQANCHMSA-N -1 3 324.380 3.047 20 30 DGEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])N1CCc2ccccc21 ZINC000101799748 629790484 /nfs/dbraw/zinc/79/04/84/629790484.db2.gz HPBOXQUSVSYZGB-VXLYETTFSA-N -1 3 314.772 3.054 20 30 DGEDHM C=CCCCCCCCC[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000867270172 630463631 /nfs/dbraw/zinc/46/36/31/630463631.db2.gz LTRHUKVQOXIPLY-UHFFFAOYSA-N -1 3 318.464 3.044 20 30 DGEDHM C[C@@H](C#N)OCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000842185008 630504035 /nfs/dbraw/zinc/50/40/35/630504035.db2.gz WTUBHUYICYLDOZ-LBPRGKRZSA-N -1 3 315.398 3.011 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000846544323 631258163 /nfs/dbraw/zinc/25/81/63/631258163.db2.gz WJNZCVIFURYECR-CYBMUJFWSA-N -1 3 301.386 3.151 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccccc1OC(F)(F)F ZINC000846551038 631259189 /nfs/dbraw/zinc/25/91/89/631259189.db2.gz QFFHNQFLDDCJKK-SNVBAGLBSA-N -1 3 303.280 3.140 20 30 DGEDHM O=C([O-])c1cc(N=NC2CCCN3CCCC[C@@H]23)ccc1Cl ZINC000848399018 631653727 /nfs/dbraw/zinc/65/37/27/631653727.db2.gz HZFVTUCFFCEROR-HNNXBMFYSA-N -1 3 321.808 3.454 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cc2n(n1)CCCC2 ZINC000848639410 631715528 /nfs/dbraw/zinc/71/55/28/631715528.db2.gz TYLCQKHOIWSLIY-PEHNMLCRSA-N -1 3 312.344 3.448 20 30 DGEDHM COc1cc(C(=O)/C=C/c2c(C3CCC3)cnn2C)ccc1[O-] ZINC000849243551 631862423 /nfs/dbraw/zinc/86/24/23/631862423.db2.gz UYSHLIWPIAYFPJ-VQHVLOKHSA-N -1 3 312.369 3.298 20 30 DGEDHM CCC(CC)[C@H](O)C/N=C/c1cc(Br)ccc1[O-] ZINC000110129657 632469128 /nfs/dbraw/zinc/46/91/28/632469128.db2.gz MZRWIIMIJPJAOJ-UVYNJXETSA-N -1 3 314.223 3.371 20 30 DGEDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CC#N)C2)c1[O-] ZINC000852319621 632586526 /nfs/dbraw/zinc/58/65/26/632586526.db2.gz QNOITMFWAFMJIE-GFCCVEGCSA-N -1 3 306.793 3.374 20 30 DGEDHM CN(C)Cc1cnc(/C=C2/CCc3cc([O-])ccc3C2=O)s1 ZINC000794709297 661100114 /nfs/dbraw/zinc/10/01/14/661100114.db2.gz YGABBWWGDRTJAL-WQLSENKSSA-N -1 3 314.410 3.123 20 30 DGEDHM [O-]c1ccc(Br)cc1C=NNCCC(F)(F)F ZINC000794546229 661090114 /nfs/dbraw/zinc/09/01/14/661090114.db2.gz SBHBGKGNGTWXNW-UHFFFAOYSA-N -1 3 311.101 3.031 20 30 DGEDHM O=C1c2cc(F)ccc2OC/C1=C\c1c(F)ccc([O-])c1F ZINC000794941983 661115135 /nfs/dbraw/zinc/11/51/35/661115135.db2.gz DWYVIANYRSURDI-VMPITWQZSA-N -1 3 306.239 3.468 20 30 DGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc2c(c1)OCO2 ZINC000794928055 661114040 /nfs/dbraw/zinc/11/40/40/661114040.db2.gz VCWUGEYRCNTOGC-RQOWECAXSA-N -1 3 304.248 3.295 20 30 DGEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc2c(c1)OCO2 ZINC000794928048 661114088 /nfs/dbraw/zinc/11/40/88/661114088.db2.gz VCWUGEYRCNTOGC-DUXPYHPUSA-N -1 3 304.248 3.295 20 30 DGEDHM N#Cc1c([N-]C(=O)c2ccnc(F)c2F)sc2c1CCC2 ZINC000097865373 655573724 /nfs/dbraw/zinc/57/37/24/655573724.db2.gz PTRPBCCORPMTAT-UHFFFAOYSA-N -1 3 305.309 3.034 20 30 DGEDHM CC(=O)c1cc(F)cc(CN(CCC#N)CCC(C)C)c1[O-] ZINC000175738851 655586976 /nfs/dbraw/zinc/58/69/76/655586976.db2.gz ZPSAVXHVPYQYLY-UHFFFAOYSA-N -1 3 306.381 3.496 20 30 DGEDHM COc1cc(/C=C\C(=O)c2cc(O)cc(O)c2)cc(Cl)c1[O-] ZINC000255266106 655675151 /nfs/dbraw/zinc/67/51/51/655675151.db2.gz BAVHUMGVEUTESL-IHWYPQMZSA-N -1 3 320.728 3.362 20 30 DGEDHM CC(C)OCc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255517418 655784516 /nfs/dbraw/zinc/78/45/16/655784516.db2.gz CPPSDJNVTRVPPU-UHFFFAOYSA-N -1 3 301.342 3.479 20 30 DGEDHM CNC(=O)c1ccc(OC)c(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255550696 655794656 /nfs/dbraw/zinc/79/46/56/655794656.db2.gz ZEXXHWYGEUEINP-UHFFFAOYSA-N -1 3 318.760 3.164 20 30 DGEDHM N#Cc1ccsc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000036630180 661194629 /nfs/dbraw/zinc/19/46/29/661194629.db2.gz BVJDSWJEZOQIEN-UHFFFAOYSA-N -1 3 307.718 3.434 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2ccc(OC3CCCC3)nc2)c1O ZINC000255644033 655885880 /nfs/dbraw/zinc/88/58/80/655885880.db2.gz USWMSIACJJWLEW-UHFFFAOYSA-N -1 3 314.341 3.270 20 30 DGEDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccc(C#N)cc2)c1[O-] ZINC000177251643 655918145 /nfs/dbraw/zinc/91/81/45/655918145.db2.gz BETCQWJXEHIQMS-UHFFFAOYSA-N -1 3 312.344 3.238 20 30 DGEDHM N#Cc1ccsc1[N-]C(=O)c1csc(-c2ccccn2)n1 ZINC000066014765 655924843 /nfs/dbraw/zinc/92/48/43/655924843.db2.gz XOBKJMSVUOREMC-UHFFFAOYSA-N -1 3 312.379 3.391 20 30 DGEDHM CCCc1nc(COC(=O)c2cc([O-])cc(C#N)c2)cs1 ZINC000811188629 661231297 /nfs/dbraw/zinc/23/12/97/661231297.db2.gz QZGOJVZGAIJNSU-UHFFFAOYSA-N -1 3 302.355 3.030 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCOC2CCCCCC2)c1 ZINC000811186195 661231304 /nfs/dbraw/zinc/23/13/04/661231304.db2.gz GCXUDEUIQWHPBB-UHFFFAOYSA-N -1 3 303.358 3.160 20 30 DGEDHM Cc1noc(C)c1C/N=C/c1cc(Br)ccc1[O-] ZINC000063427672 659384693 /nfs/dbraw/zinc/38/46/93/659384693.db2.gz WPLCZXJBMYXWFQ-GIDUJCDVSA-N -1 3 309.163 3.379 20 30 DGEDHM C=C(Cl)CN1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC000948200620 659988276 /nfs/dbraw/zinc/98/82/76/659988276.db2.gz MNIQNUGBQNRCRM-CQSZACIVSA-N -1 3 322.836 3.071 20 30 DGEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193396359 662132930 /nfs/dbraw/zinc/13/29/30/662132930.db2.gz RHAPPHXNBIGGLL-CYBMUJFWSA-N -1 3 302.717 3.203 20 30 DGEDHM CCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001577504923 1191905740 /nfs/dbraw/zinc/90/57/40/1191905740.db2.gz GUKBLOTVRBSWMQ-UHFFFAOYSA-N -1 3 315.421 3.265 20 30 DGEDHM CCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001577504923 1191905741 /nfs/dbraw/zinc/90/57/41/1191905741.db2.gz GUKBLOTVRBSWMQ-UHFFFAOYSA-N -1 3 315.421 3.265 20 30 DGEDHM O=C(Cc1ccc2c(c1)NCC2)N([O-])CCCCc1ccccc1 ZINC001580571455 1192033563 /nfs/dbraw/zinc/03/35/63/1192033563.db2.gz ZIUOCHBYFJPSKY-UHFFFAOYSA-N -1 3 324.424 3.438 20 30 DGEDHM C=CCCCC(=O)Nc1nc(CCCC)[n-]c1C(=O)OCC ZINC001584926566 1192230834 /nfs/dbraw/zinc/23/08/34/1192230834.db2.gz YBSIQQFWRBGENR-UHFFFAOYSA-N -1 3 307.394 3.224 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588406263 1192446393 /nfs/dbraw/zinc/44/63/93/1192446393.db2.gz SGTZEGHLWBHCBP-SNVBAGLBSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588406263 1192446396 /nfs/dbraw/zinc/44/63/96/1192446396.db2.gz SGTZEGHLWBHCBP-SNVBAGLBSA-N -1 3 320.780 3.166 20 30 DGEDHM C=CCC(C)(C)c1noc(C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC001588539252 1192449953 /nfs/dbraw/zinc/44/99/53/1192449953.db2.gz DHBRSALTAFTWOM-KTKRTIGZSA-N -1 3 322.372 3.274 20 30 DGEDHM C=CCC(C)(C)c1noc(C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC001588539252 1192449959 /nfs/dbraw/zinc/44/99/59/1192449959.db2.gz DHBRSALTAFTWOM-KTKRTIGZSA-N -1 3 322.372 3.274 20 30 DGEDHM C=CCCCCCCNC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588593416 1192451421 /nfs/dbraw/zinc/45/14/21/1192451421.db2.gz DMFQVYCWFQMKFV-UHFFFAOYSA-N -1 3 313.405 3.041 20 30 DGEDHM C=CCCCCCCNC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588593416 1192451424 /nfs/dbraw/zinc/45/14/24/1192451424.db2.gz DMFQVYCWFQMKFV-UHFFFAOYSA-N -1 3 313.405 3.041 20 30 DGEDHM C=CCCCC[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588593276 1192451797 /nfs/dbraw/zinc/45/17/97/1192451797.db2.gz AFKOPZQZBPFIII-GFCCVEGCSA-N -1 3 301.394 3.422 20 30 DGEDHM C=CCCCC[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588593276 1192451800 /nfs/dbraw/zinc/45/18/00/1192451800.db2.gz AFKOPZQZBPFIII-GFCCVEGCSA-N -1 3 301.394 3.422 20 30 DGEDHM C=CCCCCNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588596265 1192451896 /nfs/dbraw/zinc/45/18/96/1192451896.db2.gz LJFHYTCRZVCJDP-UHFFFAOYSA-N -1 3 322.210 3.397 20 30 DGEDHM C=CCCCCNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588596265 1192451899 /nfs/dbraw/zinc/45/18/99/1192451899.db2.gz LJFHYTCRZVCJDP-UHFFFAOYSA-N -1 3 322.210 3.397 20 30 DGEDHM C=CCN(Cc1ccccc1)c1cc(F)ccc1-c1nnn[n-]1 ZINC001588653677 1192452449 /nfs/dbraw/zinc/45/24/49/1192452449.db2.gz TXVDTYBMIKCSJO-UHFFFAOYSA-N -1 3 309.348 3.198 20 30 DGEDHM C=CCN(Cc1ccccc1)c1cc(F)ccc1-c1nn[n-]n1 ZINC001588653677 1192452450 /nfs/dbraw/zinc/45/24/50/1192452450.db2.gz TXVDTYBMIKCSJO-UHFFFAOYSA-N -1 3 309.348 3.198 20 30 DGEDHM CC(C)(CCC#N)CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001589272894 1192462322 /nfs/dbraw/zinc/46/23/22/1192462322.db2.gz SBFCVHWBSZVEPD-UHFFFAOYSA-N -1 3 304.785 3.262 20 30 DGEDHM CC(C)(CCC#N)CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001589272894 1192462324 /nfs/dbraw/zinc/46/23/24/1192462324.db2.gz SBFCVHWBSZVEPD-UHFFFAOYSA-N -1 3 304.785 3.262 20 30 DGEDHM CC(C)Oc1ccc(Oc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001589757781 1192472095 /nfs/dbraw/zinc/47/20/95/1192472095.db2.gz KOBMYNGCJIQPBX-UHFFFAOYSA-N -1 3 321.340 3.318 20 30 DGEDHM CC(C)Oc1ccc(Oc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001589757781 1192472097 /nfs/dbraw/zinc/47/20/97/1192472097.db2.gz KOBMYNGCJIQPBX-UHFFFAOYSA-N -1 3 321.340 3.318 20 30 DGEDHM C[C@@H]1CC(CNc2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001590188126 1192492650 /nfs/dbraw/zinc/49/26/50/1192492650.db2.gz QSQPHWKFPTVHSQ-RYUDHWBXSA-N -1 3 310.405 3.223 20 30 DGEDHM C[C@@H]1CC(CNc2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001590188126 1192492659 /nfs/dbraw/zinc/49/26/59/1192492659.db2.gz QSQPHWKFPTVHSQ-RYUDHWBXSA-N -1 3 310.405 3.223 20 30 DGEDHM C[C@@H]1CCCC[C@@H]1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590250552 1192498154 /nfs/dbraw/zinc/49/81/54/1192498154.db2.gz FPSNOECYPJXXMG-CHWSQXEVSA-N -1 3 310.405 3.367 20 30 DGEDHM C[C@@H]1CCCC[C@@H]1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590250552 1192498155 /nfs/dbraw/zinc/49/81/55/1192498155.db2.gz FPSNOECYPJXXMG-CHWSQXEVSA-N -1 3 310.405 3.367 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001590834694 1192537504 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Cc1cc(OCC#Cc2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC001592059167 1192591469 /nfs/dbraw/zinc/59/14/69/1192591469.db2.gz DYWNTZWWTRVLRQ-UHFFFAOYSA-N -1 3 324.771 3.259 20 30 DGEDHM Cc1cccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1C ZINC001592226570 1192603253 /nfs/dbraw/zinc/60/32/53/1192603253.db2.gz LNLKTXBOAPNYTR-LZYBPNLTSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1C ZINC001592226570 1192603255 /nfs/dbraw/zinc/60/32/55/1192603255.db2.gz LNLKTXBOAPNYTR-LZYBPNLTSA-N -1 3 316.364 3.306 20 30 DGEDHM N#Cc1ccc(CNc2ccc(C3CC3)c(-c3nnn[n-]3)c2)s1 ZINC001592694458 1192625663 /nfs/dbraw/zinc/62/56/63/1192625663.db2.gz UWLDALDCSKLXPM-UHFFFAOYSA-N -1 3 322.397 3.289 20 30 DGEDHM N#Cc1ccc(CNc2ccc(C3CC3)c(-c3nn[n-]n3)c2)s1 ZINC001592694458 1192625673 /nfs/dbraw/zinc/62/56/73/1192625673.db2.gz UWLDALDCSKLXPM-UHFFFAOYSA-N -1 3 322.397 3.289 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@]2(CC=CCC2)C1 ZINC001592698795 1192625762 /nfs/dbraw/zinc/62/57/62/1192625762.db2.gz 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N#Cc1c(F)cccc1CNCCCCC1(C(=O)[O-])CCC1 ZINC001601082922 1192916817 /nfs/dbraw/zinc/91/68/17/1192916817.db2.gz UWVZXIOLGCKPJL-UHFFFAOYSA-N -1 3 304.365 3.212 20 30 DGEDHM Cc1cccc(C([O-])=C(C#N)c2nccn2C)c1C(F)(F)F ZINC001342270201 1179125297 /nfs/dbraw/zinc/12/52/97/1179125297.db2.gz XOGMJJNVKKHFAN-NSHDSACASA-N -1 3 307.275 3.237 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c(C)c1 ZINC001342605047 1179159528 /nfs/dbraw/zinc/15/95/28/1179159528.db2.gz JGZYKNUGYBKXJY-OAHLLOKOSA-N -1 3 316.364 3.319 20 30 DGEDHM O=C([O-])[C@H](NCC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001601669183 1192937120 /nfs/dbraw/zinc/93/71/20/1192937120.db2.gz OELPQVSMMMVUAA-MRXNPFEDSA-N -1 3 305.805 3.315 20 30 DGEDHM CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001344003941 1179362957 /nfs/dbraw/zinc/36/29/57/1179362957.db2.gz CQZMJTJPFGPLBH-NSHDSACASA-N -1 3 300.337 3.051 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cnn(C2CCCCC2)c1 ZINC001344875501 1179490960 /nfs/dbraw/zinc/49/09/60/1179490960.db2.gz SLRSQVVSYGOWCC-OAHLLOKOSA-N -1 3 311.389 3.095 20 30 DGEDHM N#CC(=C([O-])c1ccccc1OC(F)F)c1cccc(F)n1 ZINC001347123223 1179780257 /nfs/dbraw/zinc/78/02/57/1179780257.db2.gz JPIITTJITNSIBJ-JTQLQIEISA-N -1 3 306.243 3.312 20 30 DGEDHM C=C(C)CCC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602756654 1192996435 /nfs/dbraw/zinc/99/64/35/1192996435.db2.gz UMTLZSVQESQHHA-UHFFFAOYSA-N -1 3 313.405 3.212 20 30 DGEDHM C=C(C)CCC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602756654 1192996436 /nfs/dbraw/zinc/99/64/36/1192996436.db2.gz UMTLZSVQESQHHA-UHFFFAOYSA-N -1 3 313.405 3.212 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602753194 1192996444 /nfs/dbraw/zinc/99/64/44/1192996444.db2.gz MYLXZPZHAAANQU-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602753194 1192996446 /nfs/dbraw/zinc/99/64/46/1192996446.db2.gz MYLXZPZHAAANQU-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=CC[C@@H](C)Sc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001602810999 1192997997 /nfs/dbraw/zinc/99/79/97/1192997997.db2.gz CGOGTUAUGNKLKN-SNVBAGLBSA-N -1 3 301.419 3.197 20 30 DGEDHM C=CC[C@@H](C)Sc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001602810999 1192997999 /nfs/dbraw/zinc/99/79/99/1192997999.db2.gz CGOGTUAUGNKLKN-SNVBAGLBSA-N -1 3 301.419 3.197 20 30 DGEDHM C=CC[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602816870 1192998512 /nfs/dbraw/zinc/99/85/12/1192998512.db2.gz VQCDGLDLDVNJFB-INIZCTEOSA-N -1 3 320.352 3.341 20 30 DGEDHM C=CC[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602816870 1192998513 /nfs/dbraw/zinc/99/85/13/1192998513.db2.gz VQCDGLDLDVNJFB-INIZCTEOSA-N -1 3 320.352 3.341 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CCC1 ZINC001602818134 1192998616 /nfs/dbraw/zinc/99/86/16/1192998616.db2.gz CZNSZRDEIQJFPV-UHFFFAOYSA-N -1 3 323.400 3.429 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CCC1 ZINC001602818134 1192998619 /nfs/dbraw/zinc/99/86/19/1192998619.db2.gz CZNSZRDEIQJFPV-UHFFFAOYSA-N -1 3 323.400 3.429 20 30 DGEDHM C=CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccncc1 ZINC001602843216 1193000006 /nfs/dbraw/zinc/00/00/06/1193000006.db2.gz WNVUACGRMXWKLR-LRDDRELGSA-N -1 3 312.369 3.453 20 30 DGEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1cccc(F)c1C#N ZINC001603733766 1193028425 /nfs/dbraw/zinc/02/84/25/1193028425.db2.gz YHLMPJDYXMRQOZ-NSHDSACASA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1cccc(F)c1C#N ZINC001603733766 1193028426 /nfs/dbraw/zinc/02/84/26/1193028426.db2.gz YHLMPJDYXMRQOZ-NSHDSACASA-N -1 3 322.347 3.075 20 30 DGEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C1CC1 ZINC001603966091 1193041527 /nfs/dbraw/zinc/04/15/27/1193041527.db2.gz UOCXZSIIOBKFPS-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C1CC1 ZINC001603966091 1193041531 /nfs/dbraw/zinc/04/15/31/1193041531.db2.gz UOCXZSIIOBKFPS-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM O=C([C@@H]1CCc2cccnc21)N([O-])CCCCc1ccccc1 ZINC001472619238 1180780205 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3.493 20 30 DGEDHM CSc1cccc(C(=O)N([O-])Cc2ccccc2Cl)n1 ZINC001457991293 1182488724 /nfs/dbraw/zinc/48/87/24/1182488724.db2.gz CZJKNCWXIFCALV-UHFFFAOYSA-N -1 3 308.790 3.489 20 30 DGEDHM O=C(COc1ccc(F)cc1)N([O-])CCCCc1ccccc1 ZINC001457995492 1182489064 /nfs/dbraw/zinc/48/90/64/1182489064.db2.gz VLBIJYRLOPEUNT-UHFFFAOYSA-N -1 3 317.360 3.445 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001458024675 1182490245 /nfs/dbraw/zinc/49/02/45/1182490245.db2.gz QRKFMNKHZXGGKI-CHWSQXEVSA-N -1 3 314.426 3.040 20 30 DGEDHM CCCCN([O-])C(=O)c1csc(COc2ccc(F)cc2)n1 ZINC001458026608 1182490810 /nfs/dbraw/zinc/49/08/10/1182490810.db2.gz ZYELXZYTDIGQSV-UHFFFAOYSA-N -1 3 324.377 3.493 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605932398 1193184775 /nfs/dbraw/zinc/18/47/75/1193184775.db2.gz ULDVWSKPVMLLQF-NTMALXAHSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605932398 1193184778 /nfs/dbraw/zinc/18/47/78/1193184778.db2.gz 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/nfs/dbraw/zinc/19/98/15/1193199815.db2.gz RZXQIFWZPMPYBA-UHFFFAOYSA-N -1 3 322.416 3.145 20 30 DGEDHM N#Cc1ccc(Sc2cc(F)ccc2-c2nnn[n-]2)c(F)c1 ZINC001606380733 1193200135 /nfs/dbraw/zinc/20/01/35/1193200135.db2.gz CYWPHADAGOXHEP-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1ccc(Sc2cc(F)ccc2-c2nn[n-]n2)c(F)c1 ZINC001606380733 1193200137 /nfs/dbraw/zinc/20/01/37/1193200137.db2.gz CYWPHADAGOXHEP-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001606482414 1193200314 /nfs/dbraw/zinc/20/03/14/1193200314.db2.gz SFQDTCOTEHALIP-TWGQIWQCSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001606482414 1193200318 /nfs/dbraw/zinc/20/03/18/1193200318.db2.gz SFQDTCOTEHALIP-TWGQIWQCSA-N -1 3 312.279 3.041 20 30 DGEDHM Cc1cc(F)ccc1[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC001464463047 1183094550 /nfs/dbraw/zinc/09/45/50/1183094550.db2.gz NNYGLCKUSDTZMM-SNVBAGLBSA-N -1 3 324.402 3.107 20 30 DGEDHM Cc1ccc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c([O-])c1 ZINC001469107514 1183383570 /nfs/dbraw/zinc/38/35/70/1183383570.db2.gz JNZKJMRYCPYHJS-KRWDZBQOSA-N -1 3 306.365 3.380 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCCc1ccc(Br)cc1 ZINC001469742468 1183435721 /nfs/dbraw/zinc/43/57/21/1183435721.db2.gz YYUIIGPQMWNYGH-UHFFFAOYSA-N -1 3 312.207 3.396 20 30 DGEDHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1C ZINC001607291485 1193222738 /nfs/dbraw/zinc/22/27/38/1193222738.db2.gz BZKDTPRIDKKJKG-UGSOOPFHSA-N -1 3 324.380 3.352 20 30 DGEDHM Cc1[nH]nc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1C ZINC001472615675 1183657151 /nfs/dbraw/zinc/65/71/51/1183657151.db2.gz CVEIEAQDUPPBND-UHFFFAOYSA-N -1 3 314.172 3.365 20 30 DGEDHM COC(=O)C[C@@H](C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC001472622669 1183658472 /nfs/dbraw/zinc/65/84/72/1183658472.db2.gz MRRRCUPJDXPZRZ-ZDUSSCGKSA-N -1 3 315.369 3.147 20 30 DGEDHM N#CCCC[C@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001608179810 1193281664 /nfs/dbraw/zinc/28/16/64/1193281664.db2.gz BDJUGITUHDFLQW-KRWDZBQOSA-N -1 3 309.369 3.305 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@@H]2CCc3cc(F)ccc32)C(=O)[O-])c1 ZINC001608215735 1193283685 /nfs/dbraw/zinc/28/36/85/1193283685.db2.gz OMJTVYVFJVTFBH-IAGOWNOFSA-N -1 3 310.328 3.100 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@H]2CCCc3ccc(F)cc32)C(=O)[O-])c1 ZINC001608215400 1193283702 /nfs/dbraw/zinc/28/37/02/1193283702.db2.gz KHGHPTGVSORQGR-ZWKOTPCHSA-N -1 3 324.355 3.490 20 30 DGEDHM C=CCN(Cc1ccccc1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001609057315 1193322313 /nfs/dbraw/zinc/32/23/13/1193322313.db2.gz KTAKXTMKRHSXMI-UHFFFAOYSA-N -1 3 323.375 3.194 20 30 DGEDHM C=CCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001609053450 1193322535 /nfs/dbraw/zinc/32/25/35/1193322535.db2.gz JQXPXWOBXGHHNO-UHFFFAOYSA-N -1 3 319.434 3.185 20 30 DGEDHM C=CCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001609053450 1193322537 /nfs/dbraw/zinc/32/25/37/1193322537.db2.gz JQXPXWOBXGHHNO-UHFFFAOYSA-N -1 3 319.434 3.185 20 30 DGEDHM CC(CCCCC#N)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609110160 1193324289 /nfs/dbraw/zinc/32/42/89/1193324289.db2.gz OZJXJXYKMXOTNC-UHFFFAOYSA-N -1 3 317.784 3.392 20 30 DGEDHM CC(CCCCC#N)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609110160 1193324292 /nfs/dbraw/zinc/32/42/92/1193324292.db2.gz OZJXJXYKMXOTNC-UHFFFAOYSA-N -1 3 317.784 3.392 20 30 DGEDHM C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)Cc1cccs1 ZINC001609113724 1193326073 /nfs/dbraw/zinc/32/60/73/1193326073.db2.gz DTATUXOTPMSBNJ-LLVKDONJSA-N -1 3 324.413 3.091 20 30 DGEDHM C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)Cc1cccs1 ZINC001609113724 1193326076 /nfs/dbraw/zinc/32/60/76/1193326076.db2.gz DTATUXOTPMSBNJ-LLVKDONJSA-N -1 3 324.413 3.091 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)[C@@H]1C ZINC001609154906 1193326944 /nfs/dbraw/zinc/32/69/44/1193326944.db2.gz JONDNFCVUUYPLE-HTQZYQBOSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)[C@@H]1C ZINC001609154906 1193326950 /nfs/dbraw/zinc/32/69/50/1193326950.db2.gz JONDNFCVUUYPLE-HTQZYQBOSA-N -1 3 324.310 3.329 20 30 DGEDHM CC[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)CC(F)(F)F ZINC001609190815 1193328739 /nfs/dbraw/zinc/32/87/39/1193328739.db2.gz WUABKGIPMCRWDC-VIFPVBQESA-N -1 3 324.310 3.129 20 30 DGEDHM CC[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)CC(F)(F)F ZINC001609190815 1193328741 /nfs/dbraw/zinc/32/87/41/1193328741.db2.gz WUABKGIPMCRWDC-VIFPVBQESA-N -1 3 324.310 3.129 20 30 DGEDHM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609518050 1193343400 /nfs/dbraw/zinc/34/34/00/1193343400.db2.gz ZUPPEKSLOHGFMU-WTKPLQERSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609518050 1193343402 /nfs/dbraw/zinc/34/34/02/1193343402.db2.gz ZUPPEKSLOHGFMU-WTKPLQERSA-N -1 3 310.744 3.416 20 30 DGEDHM N#CCCC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001609495271 1193342326 /nfs/dbraw/zinc/34/23/26/1193342326.db2.gz ZSQGHWDDZUOKSA-HNNXBMFYSA-N -1 3 319.372 3.109 20 30 DGEDHM N#CCCC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001609495271 1193342328 /nfs/dbraw/zinc/34/23/28/1193342328.db2.gz ZSQGHWDDZUOKSA-HNNXBMFYSA-N -1 3 319.372 3.109 20 30 DGEDHM O=C(C=Cc1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609517858 1193343477 /nfs/dbraw/zinc/34/34/77/1193343477.db2.gz RWXRFWXVSLYBBQ-WZUFQYTHSA-N -1 3 316.364 3.252 20 30 DGEDHM O=C(C=Cc1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609517858 1193343480 /nfs/dbraw/zinc/34/34/80/1193343480.db2.gz RWXRFWXVSLYBBQ-WZUFQYTHSA-N -1 3 316.364 3.252 20 30 DGEDHM N#Cc1c(CN2CC[C@H](c3ccccc3)C2)cccc1C(=O)[O-] ZINC001610623212 1193401469 /nfs/dbraw/zinc/40/14/69/1193401469.db2.gz KQMDRKJMQUGSFK-HNNXBMFYSA-N -1 3 306.365 3.246 20 30 DGEDHM COC[C@@H](C)[C@@H](C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001611662340 1193439178 /nfs/dbraw/zinc/43/91/78/1193439178.db2.gz DDWMSSWXDFVSKI-ZIAGYGMSSA-N -1 3 301.386 3.476 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CCc2cc(Br)ccc21 ZINC001611658058 1193439431 /nfs/dbraw/zinc/43/94/31/1193439431.db2.gz SRDVDKLYKUJHMM-ZDUSSCGKSA-N -1 3 312.207 3.497 20 30 DGEDHM CCn1cnc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC001611642186 1193439549 /nfs/dbraw/zinc/43/95/49/1193439549.db2.gz HIBYJHMHYMYHAJ-UHFFFAOYSA-N -1 3 314.172 3.241 20 30 DGEDHM Cc1cc(CCC(=O)N([O-])Cc2cccc3ccccc32)no1 ZINC001611662649 1193439601 /nfs/dbraw/zinc/43/96/01/1193439601.db2.gz QMUWBGKTRPXAPX-UHFFFAOYSA-N -1 3 310.353 3.487 20 30 DGEDHM N#CCOc1cccc(OC(=O)c2cccc(Cl)c2[O-])c1 ZINC001528284167 1187481053 /nfs/dbraw/zinc/48/10/53/1187481053.db2.gz WPDCUNXIILJJIR-UHFFFAOYSA-N -1 3 303.701 3.167 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)s1 ZINC001534646119 1187912570 /nfs/dbraw/zinc/91/25/70/1187912570.db2.gz GCWBLPVYEBEAFV-UHFFFAOYSA-N -1 3 316.342 3.046 20 30 DGEDHM C#C[C@H](CC)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001535483665 1187962693 /nfs/dbraw/zinc/96/26/93/1187962693.db2.gz PMMPMFDYROUQCM-LLVKDONJSA-N -1 3 316.145 3.069 20 30 DGEDHM CCC(C)(C)C1CCC(CC(=O)N[C@@H]2CCCN([O-])C2=O)CC1 ZINC001556782759 1189019999 /nfs/dbraw/zinc/01/99/99/1189019999.db2.gz RPRQBVNUJVDCLZ-YMAMQOFZSA-N -1 3 324.465 3.116 20 30 DGEDHM CC(C)(CC(=O)[N-]Oc1cccc(C#N)c1)c1ccc(F)cc1 ZINC001557922774 1189092816 /nfs/dbraw/zinc/09/28/16/1189092816.db2.gz QCDUXXKHVDHFSI-UHFFFAOYSA-N -1 3 312.344 3.475 20 30 DGEDHM O=C(CCC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001559037247 1189164605 /nfs/dbraw/zinc/16/46/05/1189164605.db2.gz OZGBDLAZGOPBFM-UHFFFAOYSA-N -1 3 301.317 3.207 20 30 DGEDHM N#CC[C@@H](CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccccc1 ZINC001569458757 1190701904 /nfs/dbraw/zinc/70/19/04/1190701904.db2.gz BKEXHUSQGHBKQH-ZDUSSCGKSA-N -1 3 320.352 3.295 20 30 DGEDHM C#CCN(Cc1nc(CC)cc(=O)[n-]1)[C@@H]1CCCc2ccccc21 ZINC001620612848 1193783988 /nfs/dbraw/zinc/78/39/88/1193783988.db2.gz PJXHFHIQGVELBS-GOSISDBHSA-N -1 3 321.424 3.257 20 30 DGEDHM N#CC1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC001630198073 1194274006 /nfs/dbraw/zinc/27/40/06/1194274006.db2.gz HVOPYFGUWRRHRN-UHFFFAOYSA-N -1 3 320.392 3.407 20 30 DGEDHM N#CCCc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC001635175933 1194535922 /nfs/dbraw/zinc/53/59/22/1194535922.db2.gz QAJDJGJGPSPIFQ-UHFFFAOYSA-N -1 3 318.336 3.044 20 30 DGEDHM Cc1ccc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)c([O-])c1 ZINC001635347043 1194545718 /nfs/dbraw/zinc/54/57/18/1194545718.db2.gz XYCBEGGYVXQFQS-UHFFFAOYSA-N -1 3 308.381 3.323 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)CCCCC1 ZINC001636004531 1194584940 /nfs/dbraw/zinc/58/49/40/1194584940.db2.gz FVCIMKVJMGCPHP-UHFFFAOYSA-N -1 3 319.405 3.440 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)CCCCC1 ZINC001636004531 1194584946 /nfs/dbraw/zinc/58/49/46/1194584946.db2.gz FVCIMKVJMGCPHP-UHFFFAOYSA-N -1 3 319.405 3.440 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H]1COc2cc(OC)ccc21 ZINC001641867308 1194875750 /nfs/dbraw/zinc/87/57/50/1194875750.db2.gz AZUFWWAFEGLPGF-ZDUSSCGKSA-N -1 3 307.390 3.359 20 30 DGEDHM Cc1cc(C)n(CCC(=O)N([O-])CCCCc2ccccc2)n1 ZINC001641861905 1194875839 /nfs/dbraw/zinc/87/58/39/1194875839.db2.gz JVJLRVVILWRZPC-UHFFFAOYSA-N -1 3 315.417 3.131 20 30 DGEDHM CCCCCCCC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001645528654 1195191837 /nfs/dbraw/zinc/19/18/37/1195191837.db2.gz SUYDIPKGDCLMHP-VIFPVBQESA-N -1 3 306.332 3.361 20 30 DGEDHM C#Cc1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001648498375 1195304846 /nfs/dbraw/zinc/30/48/46/1195304846.db2.gz FBLPVFOKSIZBGI-UHFFFAOYSA-N -1 3 324.286 3.040 20 30 DGEDHM C#CCOc1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC001651097415 1195413923 /nfs/dbraw/zinc/41/39/23/1195413923.db2.gz WVWHUPLKUYCLGA-UHFFFAOYSA-N -1 3 301.773 3.347 20 30 DGEDHM COc1cc(OC)cc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001651223853 1195427398 /nfs/dbraw/zinc/42/73/98/1195427398.db2.gz XIWMVYCJNMOREO-UHFFFAOYSA-N -1 3 321.760 3.389 20 30 DGEDHM C[C@H](CC(=O)N([O-])Cc1cccc2ccccc21)n1cccn1 ZINC001651235943 1195430235 /nfs/dbraw/zinc/43/02/35/1195430235.db2.gz VUMIOKBENUWTQD-CQSZACIVSA-N -1 3 309.369 3.405 20 30 DGEDHM C=CC(C)(C)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC001664721303 1197042402 /nfs/dbraw/zinc/04/24/02/1197042402.db2.gz ZNVOXGIYCZIJBA-UHFFFAOYSA-N -1 3 324.265 3.062 20 30 DGEDHM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000081300228 1197197593 /nfs/dbraw/zinc/19/75/93/1197197593.db2.gz NPDVALHBQGJVIG-UHFFFAOYSA-N -1 3 324.764 3.346 20 30 DGEDHM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cc(Cl)ccc1OCC#N ZINC001594213523 959308482 /nfs/dbraw/zinc/30/84/82/959308482.db2.gz FZRMNSPLYBRSDN-BXUZGUMPSA-N -1 3 322.792 3.070 20 30 DGEDHM C#CC[C@H]1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001573303245 962674172 /nfs/dbraw/zinc/67/41/72/962674172.db2.gz NCDWGDLTBLDZBI-HZMBPMFUSA-N -1 3 312.196 3.464 20 30 DGEDHM N#Cc1ccc(CNCc2ccc(C(=O)[O-])s2)cc1Cl ZINC001605611145 973914732 /nfs/dbraw/zinc/91/47/32/973914732.db2.gz IBLHRUSJOIGJLH-UHFFFAOYSA-N -1 3 306.774 3.261 20 30 DGEDHM C[C@@H](CN(C)Cc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001592584561 978503205 /nfs/dbraw/zinc/50/32/05/978503205.db2.gz JNUXAKDRBXAGEM-AWEZNQCLSA-N -1 3 308.381 3.492 20 30 DGEDHM C=C[C@@H](C(=O)[O-])N1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001588664438 983799915 /nfs/dbraw/zinc/79/99/15/983799915.db2.gz VTBYTRASLHYBIV-GXTWGEPZSA-N -1 3 317.282 3.215 20 30 DGEDHM C=C[C@@H](N[C@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001588702704 983921389 /nfs/dbraw/zinc/92/13/89/983921389.db2.gz WIXBKVRZMMBXRE-GMSGAONNSA-N -1 3 305.708 3.231 20 30 DGEDHM C=CCCN(C(C)C)[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588805837 984256022 /nfs/dbraw/zinc/25/60/22/984256022.db2.gz PXRLVCXUQRCIQD-GFCCVEGCSA-N -1 3 324.446 3.368 20 30 DGEDHM CCc1[nH]c(CN[C@H]2CCCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001597391965 987624076 /nfs/dbraw/zinc/62/40/76/987624076.db2.gz NNSMXBSFSJWULV-SFHVURJKSA-N -1 3 323.396 3.314 20 30 DGEDHM N#CCc1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001639054590 1194748872 /nfs/dbraw/zinc/74/88/72/1194748872.db2.gz RXHFXBMXAMUMDX-UHFFFAOYSA-N -1 3 300.745 3.438 20 30 DGEDHM Cc1ccc(NC23CCC(C#N)(CC2)CC3)cc1-c1nnn[n-]1 ZINC001169752165 1081643043 /nfs/dbraw/zinc/64/30/43/1081643043.db2.gz PXYSXWIBMBDLQS-UHFFFAOYSA-N -1 3 308.389 3.204 20 30 DGEDHM Cc1ccc(NC23CCC(C#N)(CC2)CC3)cc1-c1nn[n-]n1 ZINC001169752165 1081643044 /nfs/dbraw/zinc/64/30/44/1081643044.db2.gz PXYSXWIBMBDLQS-UHFFFAOYSA-N -1 3 308.389 3.204 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC001651229314 1081948238 /nfs/dbraw/zinc/94/82/38/1081948238.db2.gz LCXIPJGERBQXHS-SNVBAGLBSA-N -1 3 305.296 3.491 20 30 DGEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c([O-])c1 ZINC001181203770 1083428578 /nfs/dbraw/zinc/42/85/78/1083428578.db2.gz ZDZZDGWFAKHAOQ-UHFFFAOYSA-N -1 3 314.316 3.199 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC001184305620 1084143727 /nfs/dbraw/zinc/14/37/27/1084143727.db2.gz NWUWYGLVYNTTRX-STQMWFEESA-N -1 3 316.442 3.334 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001184305307 1084143428 /nfs/dbraw/zinc/14/34/28/1084143428.db2.gz FLILZBFGDACDNI-MRXNPFEDSA-N -1 3 318.417 3.228 20 30 DGEDHM CCCC#CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001184277026 1084149424 /nfs/dbraw/zinc/14/94/24/1084149424.db2.gz YBIANBCRVIQKBI-UHFFFAOYSA-N -1 3 302.761 3.014 20 30 DGEDHM CC(C)(C)OC(=O)CCC(=O)N([O-])Cc1ccccc1Cl ZINC001184283708 1084151895 /nfs/dbraw/zinc/15/18/95/1084151895.db2.gz OLQLQRHNIVYDFQ-UHFFFAOYSA-N -1 3 313.781 3.180 20 30 DGEDHM O=C(c1cnc2[nH]cnc2c1)N([O-])Cc1cccc2ccccc21 ZINC001184341331 1084164539 /nfs/dbraw/zinc/16/45/39/1084164539.db2.gz XMIGSDNGTUBWFF-UHFFFAOYSA-N -1 3 318.336 3.143 20 30 DGEDHM COc1cccc2c1C[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)CC2 ZINC001143545313 1084617022 /nfs/dbraw/zinc/61/70/22/1084617022.db2.gz RHXITYXSUVJQHQ-CYBMUJFWSA-N -1 3 322.364 3.016 20 30 DGEDHM N#Cc1sccc1[N-]C(=O)c1nc2ccccc2nc1Cl ZINC001152157072 1087908287 /nfs/dbraw/zinc/90/82/87/1087908287.db2.gz QDFIBKPUQBOJIX-UHFFFAOYSA-N -1 3 314.757 3.469 20 30 DGEDHM CC(=O)n1cc(C(=O)Nc2ccc([O-])c(C#N)c2)c2ccccc21 ZINC001154045826 1088455442 /nfs/dbraw/zinc/45/54/42/1088455442.db2.gz URLHCPFKGGWNCP-UHFFFAOYSA-N -1 3 319.320 3.131 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC(C)(C)C2CC2)n1 ZINC001155066049 1088926481 /nfs/dbraw/zinc/92/64/81/1088926481.db2.gz AKDKBSUBQBMFAE-MKMNVTDBSA-N -1 3 300.815 3.261 20 30 DGEDHM O=C(Cc1ccc2c(c1)OCO2)N([O-])Cc1ccccc1Cl ZINC001161801994 1089408809 /nfs/dbraw/zinc/40/88/09/1089408809.db2.gz GEEATVTVHIMJDG-UHFFFAOYSA-N -1 3 319.744 3.029 20 30 DGEDHM CCCCN([O-])C(=O)Cc1csc(Cc2ccccc2)n1 ZINC001161826874 1089426516 /nfs/dbraw/zinc/42/65/16/1089426516.db2.gz NZBYDPCHAYKCMK-UHFFFAOYSA-N -1 3 304.415 3.294 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](CC)N(C)C(=O)OC(C)(C)C ZINC001161827115 1089426557 /nfs/dbraw/zinc/42/65/57/1089426557.db2.gz UXTLHALSBMJHAP-ZDUSSCGKSA-N -1 3 316.442 3.430 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N(C(C)C)C(C)C)n1 ZINC001163574558 1090213627 /nfs/dbraw/zinc/21/36/27/1090213627.db2.gz IGVLQUJCRWMALU-MKMNVTDBSA-N -1 3 302.831 3.283 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C ZINC001649061271 1090584500 /nfs/dbraw/zinc/58/45/00/1090584500.db2.gz JPVYNBHZYVKVRG-STQMWFEESA-N -1 3 316.442 3.334 20 30 DGEDHM N#CC1(c2ccccc2)CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001204152875 1090909246 /nfs/dbraw/zinc/90/92/46/1090909246.db2.gz VQHVMHBZAYCOIQ-UHFFFAOYSA-N -1 3 320.392 3.442 20 30 DGEDHM COCCOCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205286395 1091166039 /nfs/dbraw/zinc/16/60/39/1091166039.db2.gz YNTQPNWZMUJIBT-LYHOESIGSA-N -1 3 315.369 3.243 20 30 DGEDHM [O-]/N=C/c1cccc(-c2ccc(CN3CCOCC3)c(F)c2)c1 ZINC001206453787 1091636312 /nfs/dbraw/zinc/63/63/12/1091636312.db2.gz XLEPRCAQHFMLIT-UDWIEESQSA-N -1 3 314.360 3.133 20 30 DGEDHM COc1ccc(NC(=O)c2c[nH]c3cccc(C#N)c32)c([O-])c1 ZINC001296515284 1091754058 /nfs/dbraw/zinc/75/40/58/1091754058.db2.gz LECHFXBNRKALQK-UHFFFAOYSA-N -1 3 307.309 3.006 20 30 DGEDHM N#CCSc1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001298306446 1092049731 /nfs/dbraw/zinc/04/97/31/1092049731.db2.gz ILHKJIRYWWXWPO-UHFFFAOYSA-N -1 3 324.365 3.136 20 30 DGEDHM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(F)cc1[O-] ZINC001210017016 1093017601 /nfs/dbraw/zinc/01/76/01/1093017601.db2.gz UKJYQMOHNSASFM-UHFFFAOYSA-N -1 3 312.279 3.471 20 30 DGEDHM COC(=O)c1c(F)ccc(Nc2ccc([O-])c(C#N)c2)c1F ZINC001210532322 1093198991 /nfs/dbraw/zinc/19/89/91/1093198991.db2.gz GNPDCECUZLPPHN-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM COCCNc1cccc(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001210534273 1093199391 /nfs/dbraw/zinc/19/93/91/1093199391.db2.gz IRJJCVCWOUMAHH-UHFFFAOYSA-N -1 3 301.321 3.205 20 30 DGEDHM CCOC(=O)Cc1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1 ZINC001210534269 1093199407 /nfs/dbraw/zinc/19/94/07/1093199407.db2.gz INRADKFQEULHMT-UHFFFAOYSA-N -1 3 314.316 3.252 20 30 DGEDHM Cc1ccc(Nc2nc(Br)ccc2[O-])c(C#N)c1 ZINC001210565639 1093213131 /nfs/dbraw/zinc/21/31/31/1093213131.db2.gz QMNGEQQEPPNXKK-UHFFFAOYSA-N -1 3 304.147 3.473 20 30 DGEDHM COC(=O)c1cc(C#N)cc(C)c1Nc1ccc(F)c([O-])c1 ZINC001211220983 1093425944 /nfs/dbraw/zinc/42/59/44/1093425944.db2.gz QEUZKDWHLQNWGH-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM COC(=O)c1cc(C#N)cc(Nc2c([O-])cccc2Cl)c1 ZINC001215986614 1094100202 /nfs/dbraw/zinc/10/02/02/1094100202.db2.gz IJFSOLXYNNFZGZ-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM COc1ncc(Nc2sc3c(c2C#N)CCCC3)cc1[O-] ZINC001216205017 1094146320 /nfs/dbraw/zinc/14/63/20/1094146320.db2.gz ALNVRZZATHHWRQ-UHFFFAOYSA-N -1 3 301.371 3.351 20 30 DGEDHM [O-]c1ccccc1N=CC=Nc1ccccc1O[C@H]1C[C@@H](O)C1 ZINC001218418050 1094765575 /nfs/dbraw/zinc/76/55/75/1094765575.db2.gz VVNHYGNDNLKNQQ-OKILXGFUSA-N -1 3 310.353 3.399 20 30 DGEDHM C=CC[C@H](C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001144022869 1095478075 /nfs/dbraw/zinc/47/80/75/1095478075.db2.gz ZZGNYHUGEGRPKJ-NSHDSACASA-N -1 3 305.374 3.498 20 30 DGEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)C1CCCC1 ZINC001119445110 1096201920 /nfs/dbraw/zinc/20/19/20/1096201920.db2.gz GTJXJNSSRTUGLL-AWEZNQCLSA-N -1 3 322.355 3.376 20 30 DGEDHM Cc1ccc(N2CCC[C@H](Oc3cccc(/C=N/[O-])c3)C2)nc1 ZINC001226117143 1096616905 /nfs/dbraw/zinc/61/69/05/1096616905.db2.gz YONMZXYDCNMTMW-RONKMWSCSA-N -1 3 311.385 3.246 20 30 DGEDHM N#C[C@H](Oc1[n-]c(=O)nc2ccc(F)cc21)c1cccc(F)c1 ZINC001226406690 1096682169 /nfs/dbraw/zinc/68/21/69/1096682169.db2.gz GBDWVOLLQUJAFV-AWEZNQCLSA-N -1 3 313.263 3.257 20 30 DGEDHM N#Cc1ccc(OCCNc2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001171484964 1096894806 /nfs/dbraw/zinc/89/48/06/1096894806.db2.gz YSSXVGWKBZOAQC-UHFFFAOYSA-N -1 3 309.394 3.345 20 30 DGEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1cc(C#N)ccc1[O-] ZINC001227350077 1096919256 /nfs/dbraw/zinc/91/92/56/1096919256.db2.gz KVPNULBTKNPSJU-CQSZACIVSA-N -1 3 313.740 3.377 20 30 DGEDHM CCCCOC[C@@H](C)OC[C@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227349161 1096919403 /nfs/dbraw/zinc/91/94/03/1096919403.db2.gz FPEUMLKNVYRAAH-KGLIPLIRSA-N -1 3 307.390 3.253 20 30 DGEDHM CC(C)Oc1cc(COc2cc(C#N)ccc2[O-])cnc1F ZINC001227350607 1096919482 /nfs/dbraw/zinc/91/94/82/1096919482.db2.gz ONGNLIQVCOGHES-UHFFFAOYSA-N -1 3 302.305 3.164 20 30 DGEDHM C=C[C@H](CC)Oc1cccc([O-])c1I ZINC001227379436 1096922738 /nfs/dbraw/zinc/92/27/38/1096922738.db2.gz GZYWQNZSLIWSIB-MRVPVSSYSA-N -1 3 304.127 3.340 20 30 DGEDHM C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc(C(=O)OC)ccc2[O-])C1 ZINC001227820663 1096994295 /nfs/dbraw/zinc/99/42/95/1096994295.db2.gz YTIUHDWOLPZJJB-IUODEOHRSA-N -1 3 303.358 3.254 20 30 DGEDHM C#C[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1ccccc1)C(C)C ZINC001227939707 1097017148 /nfs/dbraw/zinc/01/71/48/1097017148.db2.gz DDEONSXRRFATSU-MRXNPFEDSA-N -1 3 310.349 3.365 20 30 DGEDHM C#C[C@@H](Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2)c1ccccc1 ZINC001228079154 1097046425 /nfs/dbraw/zinc/04/64/25/1097046425.db2.gz NUVLRVRFYDCRJV-CQSZACIVSA-N -1 3 324.332 3.431 20 30 DGEDHM COCC(COC)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932598 1097414306 /nfs/dbraw/zinc/41/43/06/1097414306.db2.gz FZTBUSWQMDBLGZ-YBFXNURJSA-N -1 3 315.369 3.183 20 30 DGEDHM N#CCN1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229934472 1097414406 /nfs/dbraw/zinc/41/44/06/1097414406.db2.gz AJYYJPPORKGTBA-WMRWHDLOSA-N -1 3 321.380 3.119 20 30 DGEDHM CC[C@@H](Oc1ccccc1/C=N/c1ccccc1[O-])C(=O)OC ZINC001229937648 1097414502 /nfs/dbraw/zinc/41/45/02/1097414502.db2.gz OXAXOVJYMDUGHU-PUMYGXPMSA-N -1 3 313.353 3.473 20 30 DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001231072827 1097662102 /nfs/dbraw/zinc/66/21/02/1097662102.db2.gz HBZSRLSAXUHXDW-RHSMWYFYSA-N -1 3 314.389 3.148 20 30 DGEDHM CCC[C@H](C#Cc1ccccc1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231076937 1097663199 /nfs/dbraw/zinc/66/31/99/1097663199.db2.gz OTIHPTSATMDSRW-QGZVFWFLSA-N -1 3 318.380 3.466 20 30 DGEDHM CCC[C@H](C#Cc1ccccc1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076937 1097663204 /nfs/dbraw/zinc/66/32/04/1097663204.db2.gz OTIHPTSATMDSRW-QGZVFWFLSA-N -1 3 318.380 3.466 20 30 DGEDHM CC(C)N(CC(=O)c1ccccc1)Cc1ccc(C#N)cc1[O-] ZINC001233386848 1098310067 /nfs/dbraw/zinc/31/00/67/1098310067.db2.gz KTNRZLMPCOAEAF-UHFFFAOYSA-N -1 3 308.381 3.357 20 30 DGEDHM N#CC=C([O-])c1ccccc1OC[C@H]1COc2cscc2O1 ZINC001233530060 1098366224 /nfs/dbraw/zinc/36/62/24/1098366224.db2.gz JHSYPJDUDYDTKM-NSHDSACASA-N -1 3 315.350 3.063 20 30 DGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)c1cnc2ccccn21 ZINC001233799987 1098433200 /nfs/dbraw/zinc/43/32/00/1098433200.db2.gz MOCNTEHDESFFKC-NJDFMEINSA-N -1 3 311.341 3.291 20 30 DGEDHM CC/C=C\CCOC(=O)[C@H](C)Oc1ccc(/C=N/[O-])cc1OC ZINC001233804303 1098434174 /nfs/dbraw/zinc/43/41/74/1098434174.db2.gz WMRQEZKHMPTMFG-PZVKQTBASA-N -1 3 321.373 3.170 20 30 DGEDHM COc1cc(/C=N/[O-])ccc1O[C@@H](C)COCc1ccccc1 ZINC001233804456 1098434354 /nfs/dbraw/zinc/43/43/54/1098434354.db2.gz ZSCYZQHKIFDZIE-YRIIZNAFSA-N -1 3 315.369 3.487 20 30 DGEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1cc([O-])cc(C#N)c1 ZINC001234144202 1098503474 /nfs/dbraw/zinc/50/34/74/1098503474.db2.gz KRSXTZHKDAXBAU-OAHLLOKOSA-N -1 3 313.740 3.377 20 30 DGEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccc(F)cc1 ZINC001234512022 1098575601 /nfs/dbraw/zinc/57/56/01/1098575601.db2.gz ZEZYAJOLWQMIHE-JTQLQIEISA-N -1 3 309.300 3.486 20 30 DGEDHM Cc1cnc(F)c([C@H](C)Oc2[n-]c(=O)nc3cccc(C#N)c32)c1 ZINC001234512443 1098576261 /nfs/dbraw/zinc/57/62/61/1098576261.db2.gz CXJQPZTZYZNGNE-JTQLQIEISA-N -1 3 324.315 3.190 20 30 DGEDHM CSc1nc([O-])c(C(=O)Nc2c[nH]c3ccccc23)cc1C#N ZINC001179048061 1098999706 /nfs/dbraw/zinc/99/97/06/1098999706.db2.gz 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ZINC000182200095 228366607 /nfs/dbraw/zinc/36/66/07/228366607.db2.gz OTNQISCOJCSJPC-HMMYKYKNSA-N -1 3 313.397 3.435 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cncc3ccccc32)nc(C)n1 ZINC000340889591 229092720 /nfs/dbraw/zinc/09/27/20/229092720.db2.gz YWGVTTAAQWRGQT-HNNXBMFYSA-N -1 3 302.337 3.132 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3nc(C)c(C)nc3C)nc21 ZINC000342346496 229110975 /nfs/dbraw/zinc/11/09/75/229110975.db2.gz INPOVYHQUUIDRN-CYBMUJFWSA-N -1 3 319.368 3.077 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3nc(C)c(C)nc3C)[nH]c21 ZINC000342346496 229110977 /nfs/dbraw/zinc/11/09/77/229110977.db2.gz INPOVYHQUUIDRN-CYBMUJFWSA-N -1 3 319.368 3.077 20 30 DGEDHM N#CC(=C([O-])c1ccc(CCC(F)(F)F)cc1)c1ccncn1 ZINC000354456898 229296447 /nfs/dbraw/zinc/29/64/47/229296447.db2.gz BTJINWYYDCBBNI-ZDUSSCGKSA-N -1 3 319.286 3.462 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)ccc1Br ZINC000354457045 229295002 /nfs/dbraw/zinc/29/50/02/229295002.db2.gz CEJPFWZXGQWNEG-LLVKDONJSA-N -1 3 316.158 3.038 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc4cc[nH]c4n3)nc21 ZINC000360141555 229390836 /nfs/dbraw/zinc/39/08/36/229390836.db2.gz LNVSLXDJONSQDU-GFCCVEGCSA-N -1 3 315.336 3.238 20 30 DGEDHM N#Cc1cccnc1-n1cc([N-]c2nc3cc(F)ccc3o2)cn1 ZINC000302148147 230125338 /nfs/dbraw/zinc/12/53/38/230125338.db2.gz KJJHZOGHZROARV-UHFFFAOYSA-N -1 3 320.287 3.163 20 30 DGEDHM COc1ccc([O-])c2nc(/C=C\c3cc(C#N)n(C)c3)ccc12 ZINC000358665177 269786646 /nfs/dbraw/zinc/78/66/46/269786646.db2.gz VOORRVXKFHUFRT-ARJAWSKDSA-N -1 3 305.337 3.330 20 30 DGEDHM CC[C@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])cc2C#N)c1C ZINC000357641778 266394109 /nfs/dbraw/zinc/39/41/09/266394109.db2.gz IYKPHBQCVBFQJJ-VIFPVBQESA-N -1 3 300.322 3.081 20 30 DGEDHM Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1C#N ZINC000352004543 267296366 /nfs/dbraw/zinc/29/63/66/267296366.db2.gz ALDFVPOLEDZSGK-HYXAFXHYSA-N -1 3 314.348 3.182 20 30 DGEDHM C=C[C@H]1CCCCN1C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000343011042 276923860 /nfs/dbraw/zinc/92/38/60/276923860.db2.gz LYWDMGFBJMBUDC-ZDUSSCGKSA-N -1 3 314.360 3.156 20 30 DGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000007387690 431343204 /nfs/dbraw/zinc/34/32/04/431343204.db2.gz JHPGHXLZIQAUCL-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1C ZINC000114620747 431402047 /nfs/dbraw/zinc/40/20/47/431402047.db2.gz KRPLGJLROBBBMN-ZDUSSCGKSA-N -1 3 322.393 3.342 20 30 DGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121537721 431800718 /nfs/dbraw/zinc/80/07/18/431800718.db2.gz FWKGNKXVHQFLCR-MRVPVSSYSA-N -1 3 314.457 3.033 20 30 DGEDHM CCC1(CC)[C@H](/N=C/c2ccc(O)c([O-])c2O)[C@@H](C)[C@@H]1OC ZINC000092196667 431908462 /nfs/dbraw/zinc/90/84/62/431908462.db2.gz AGDMVQUCJJVSLR-ATDINOPDSA-N -1 3 307.390 3.062 20 30 DGEDHM CC[C@H](C#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094079919 431919042 /nfs/dbraw/zinc/91/90/42/431919042.db2.gz QPGMSGKYZJECPM-CQSZACIVSA-N -1 3 310.353 3.003 20 30 DGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000048813801 431933040 /nfs/dbraw/zinc/93/30/40/431933040.db2.gz RKBBFURGGUHYBU-CYBMUJFWSA-N -1 3 320.352 3.235 20 30 DGEDHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccccc3OC)n2)CCC1 ZINC000192058784 432329395 /nfs/dbraw/zinc/32/93/95/432329395.db2.gz FYNBHVFFQTZESC-UHFFFAOYSA-N -1 3 312.373 3.165 20 30 DGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000192462333 432378710 /nfs/dbraw/zinc/37/87/10/432378710.db2.gz CONBKPDYKAZQMZ-UHFFFAOYSA-N -1 3 310.353 3.022 20 30 DGEDHM Cc1cccc([O-])c1NC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000255690188 432412146 /nfs/dbraw/zinc/41/21/46/432412146.db2.gz MLVFYGODHRBUEH-YFHOEESVSA-N -1 3 308.337 3.255 20 30 DGEDHM CCCOc1ccc(/C=N/C[C@@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000271570622 432419978 /nfs/dbraw/zinc/41/99/78/432419978.db2.gz VSXMKHKBFXQJEP-YDDPGSGASA-N -1 3 319.401 3.286 20 30 DGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000272350441 432487377 /nfs/dbraw/zinc/48/73/77/432487377.db2.gz DDZSMXMNLBHRTP-LLVKDONJSA-N -1 3 306.840 3.008 20 30 DGEDHM Cc1cccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1[O-] ZINC000193238211 432460034 /nfs/dbraw/zinc/46/00/34/432460034.db2.gz KKWGENYVZXTXEN-UHFFFAOYSA-N -1 3 306.365 3.377 20 30 DGEDHM CCCOc1ccc(/C=N/c2ccc3c(c2)CC(=O)N3C)c([O-])c1 ZINC000193257162 432461346 /nfs/dbraw/zinc/46/13/46/432461346.db2.gz DLNVOLXGZZVFGR-UDWIEESQSA-N -1 3 324.380 3.451 20 30 DGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000273937175 432632214 /nfs/dbraw/zinc/63/22/14/432632214.db2.gz JFFPRQCVFZBPQZ-VIFPVBQESA-N -1 3 321.229 3.272 20 30 DGEDHM N#CCc1ccc(NC(=O)c2cn[n-]c2-c2ccsc2)cc1 ZINC000187258936 432653688 /nfs/dbraw/zinc/65/36/88/432653688.db2.gz JZFPMJCCLYFXHD-UHFFFAOYSA-N -1 3 308.366 3.457 20 30 DGEDHM N#CCc1ccc(NC(=O)c2c[n-]nc2-c2ccsc2)cc1 ZINC000187258936 432653693 /nfs/dbraw/zinc/65/36/93/432653693.db2.gz JZFPMJCCLYFXHD-UHFFFAOYSA-N -1 3 308.366 3.457 20 30 DGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000274361427 432658044 /nfs/dbraw/zinc/65/80/44/432658044.db2.gz MLIVLBLFYDCYOL-ZDUSSCGKSA-N -1 3 318.801 3.086 20 30 DGEDHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230337084 432728886 /nfs/dbraw/zinc/72/88/86/432728886.db2.gz VLEHGKFUKDTXJC-LLVKDONJSA-N -1 3 300.449 3.113 20 30 DGEDHM CC1CCC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000160764057 432740872 /nfs/dbraw/zinc/74/08/72/432740872.db2.gz FONSJLNWRFIAIE-UHFFFAOYSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c(C)o1 ZINC000297855337 433024863 /nfs/dbraw/zinc/02/48/63/433024863.db2.gz MRBVXNXJSMOCSR-UHFFFAOYSA-N -1 3 301.371 3.356 20 30 DGEDHM CCc1cnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1 ZINC000447518699 433208117 /nfs/dbraw/zinc/20/81/17/433208117.db2.gz DKXJABZITNPIND-UHFFFAOYSA-N -1 3 324.365 3.484 20 30 DGEDHM CCCCn1c(SCc2ccc(C#N)c(C)c2)n[n-]c1=O ZINC000447303952 433182724 /nfs/dbraw/zinc/18/27/24/433182724.db2.gz HAIYWRHMCDGYFJ-UHFFFAOYSA-N -1 3 302.403 3.256 20 30 DGEDHM [O-]c1cccc(/C=N/c2ccc(OC[C@H]3CCCO3)cc2)c1O ZINC000298641789 433202874 /nfs/dbraw/zinc/20/28/74/433202874.db2.gz KRSDBVKJGWFRNI-YDDPGSGASA-N -1 3 313.353 3.406 20 30 DGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000420706084 433249154 /nfs/dbraw/zinc/24/91/54/433249154.db2.gz IZGYVEOQVRPSTN-JTQLQIEISA-N -1 3 323.336 3.060 20 30 DGEDHM Cc1cc(C(=O)N[C@@H](C#N)c2ccccc2Cl)ccc1[O-] ZINC000354743865 433251697 /nfs/dbraw/zinc/25/16/97/433251697.db2.gz RMKQBMPBVVSQNJ-AWEZNQCLSA-N -1 3 300.745 3.349 20 30 DGEDHM N#Cc1cccc(NCc2ccc([O-])c(Br)c2)n1 ZINC000339221498 433445489 /nfs/dbraw/zinc/44/54/89/433445489.db2.gz GCBYFBNOULFFBA-UHFFFAOYSA-N -1 3 304.147 3.033 20 30 DGEDHM C=CC[C@H](CC)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000282063277 433484171 /nfs/dbraw/zinc/48/41/71/433484171.db2.gz SGACZJSCBJJPQJ-LBPRGKRZSA-N -1 3 302.349 3.472 20 30 DGEDHM Cc1cc([C@@H](NCc2ccc(C#N)cc2)C(=O)[O-])ccc1Cl ZINC000426799936 433605333 /nfs/dbraw/zinc/60/53/33/433605333.db2.gz MKLUYSSQAIXBCB-MRXNPFEDSA-N -1 3 314.772 3.436 20 30 DGEDHM C=CCN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C1CC1 ZINC000284976414 433910421 /nfs/dbraw/zinc/91/04/21/433910421.db2.gz KIXUZZMLLZSRNN-UHFFFAOYSA-N -1 3 305.761 3.302 20 30 DGEDHM Cc1c(C(=O)[N-]c2sccc2C#N)nnn1-c1cccc(C)c1 ZINC000340132642 433936345 /nfs/dbraw/zinc/93/63/45/433936345.db2.gz HPJBFGWFLLBGLL-UHFFFAOYSA-N -1 3 323.381 3.070 20 30 DGEDHM N#CC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC1 ZINC000436548388 434007670 /nfs/dbraw/zinc/00/76/70/434007670.db2.gz BVSUKFYBTMZYCD-UHFFFAOYSA-N -1 3 320.392 3.353 20 30 DGEDHM CC1(C#N)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000436569584 434015259 /nfs/dbraw/zinc/01/52/59/434015259.db2.gz GLRKLELNQISHTD-UHFFFAOYSA-N -1 3 308.337 3.170 20 30 DGEDHM COc1ccc(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c([O-])c1 ZINC000416105485 434020782 /nfs/dbraw/zinc/02/07/82/434020782.db2.gz LEUOIKQCNBOKKJ-KRWDZBQOSA-N -1 3 322.364 3.080 20 30 DGEDHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000345996401 434049375 /nfs/dbraw/zinc/04/93/75/434049375.db2.gz IYDUNHMZAPUZED-SNVBAGLBSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1sc([N-]C(=O)c2cn(CCC(C)C)nn2)c(C#N)c1C ZINC000353426443 434123134 /nfs/dbraw/zinc/12/31/34/434123134.db2.gz JFRPLRQTEMMNAL-UHFFFAOYSA-N -1 3 317.418 3.127 20 30 DGEDHM N#C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccccc1F ZINC000436958657 434182545 /nfs/dbraw/zinc/18/25/45/434182545.db2.gz CJFIRDMEWBZCAM-KRWDZBQOSA-N -1 3 324.355 3.405 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)OC(CC)(CC)O2 ZINC000416951772 434259008 /nfs/dbraw/zinc/25/90/08/434259008.db2.gz GMVZDCQKKDDWGJ-LBPRGKRZSA-N -1 3 324.402 3.018 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](COC)c1ccc(Cl)cc1 ZINC000295272326 434283679 /nfs/dbraw/zinc/28/36/79/434283679.db2.gz HSPVXSQVDMIIRY-GFCCVEGCSA-N -1 3 303.736 3.355 20 30 DGEDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1C[C@]12CCOC2 ZINC000329696475 434463500 /nfs/dbraw/zinc/46/35/00/434463500.db2.gz BVHCOCQWKDWTDX-GWCFXTLKSA-N -1 3 301.264 3.426 20 30 DGEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(C)c(Br)s1 ZINC000417627938 434476042 /nfs/dbraw/zinc/47/60/42/434476042.db2.gz QAHYOGKSPTVXJJ-SECBINFHSA-N -1 3 318.236 3.328 20 30 DGEDHM N#Cc1csc(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000417604249 434456395 /nfs/dbraw/zinc/45/63/95/434456395.db2.gz UGKLFFNHJHJTLE-HNNXBMFYSA-N -1 3 300.383 3.315 20 30 DGEDHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000410333979 434641748 /nfs/dbraw/zinc/64/17/48/434641748.db2.gz BAKZAJSXAYOXNF-CXAGYDPISA-N -1 3 320.458 3.195 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1c(C)nn(CCCC)c1Cl ZINC000493259583 435136469 /nfs/dbraw/zinc/13/64/69/435136469.db2.gz NTJJXZYMTPRKLM-TYBABMIJSA-N -1 3 311.813 3.281 20 30 DGEDHM N#CCCn1cc(/C=C\C(=O)[N-]OC2CCC2)c2ccccc21 ZINC000493516404 435187570 /nfs/dbraw/zinc/18/75/70/435187570.db2.gz MVQXXTFDKWPGBL-KTKRTIGZSA-N -1 3 309.369 3.168 20 30 DGEDHM C=CC1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000565101682 435276956 /nfs/dbraw/zinc/27/69/56/435276956.db2.gz SOHMCUIRWXTUSX-CQSZACIVSA-N -1 3 324.218 3.473 20 30 DGEDHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000485394962 435565261 /nfs/dbraw/zinc/56/52/61/435565261.db2.gz ZDGUPDNJZUNPGN-UHFFFAOYSA-N -1 3 318.373 3.423 20 30 DGEDHM N#CC(=C([O-])c1ccc(OC2CCCC2)nc1)c1ccccn1 ZINC000541017334 435632481 /nfs/dbraw/zinc/63/24/81/435632481.db2.gz DNSIOZGQIZSWPN-HNNXBMFYSA-N -1 3 307.353 3.288 20 30 DGEDHM C=CCCCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000570168548 435597307 /nfs/dbraw/zinc/59/73/07/435597307.db2.gz KUBTUOBPMWPVIX-CQSZACIVSA-N -1 3 324.218 3.227 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651563455 435759438 /nfs/dbraw/zinc/75/94/38/435759438.db2.gz WNAPBPWJQROSNP-MRVPVSSYSA-N -1 3 324.265 3.062 20 30 DGEDHM C=CCCC[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651679776 435789890 /nfs/dbraw/zinc/78/98/90/435789890.db2.gz OSPBHZYYRJADQB-UHFFFAOYSA-N -1 3 324.265 3.064 20 30 DGEDHM C=CCOc1cccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c1 ZINC000646748102 435914942 /nfs/dbraw/zinc/91/49/42/435914942.db2.gz FBHCEPFGGYIJJV-UHFFFAOYSA-N -1 3 309.325 3.086 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SC[C@@H](C)c1ccc(OC)cc1 ZINC000657251487 436105569 /nfs/dbraw/zinc/10/55/69/436105569.db2.gz DBVZXIVFIQVUSN-LLVKDONJSA-N -1 3 305.403 3.074 20 30 DGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc3n2CCC3)s1 ZINC000659115044 436462994 /nfs/dbraw/zinc/46/29/94/436462994.db2.gz NTHTYTPYNPOJEA-JTQLQIEISA-N -1 3 314.414 3.073 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](CC)[C@H](O)c1c(F)cccc1F ZINC000293573504 335109238 /nfs/dbraw/zinc/10/92/38/335109238.db2.gz BVOAMESDHQPYAP-YPMHNXCESA-N -1 3 319.298 3.104 20 30 DGEDHM COc1ccc(C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)(C)C)cc1 ZINC000274301697 334059149 /nfs/dbraw/zinc/05/91/49/334059149.db2.gz GBSHKIAWWDHEGZ-OAHLLOKOSA-N -1 3 310.344 3.232 20 30 DGEDHM N#C[C@@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1ccccc1F ZINC000361873849 336776124 /nfs/dbraw/zinc/77/61/24/336776124.db2.gz PHJXOYCFEBVMCK-GFCCVEGCSA-N -1 3 308.234 3.238 20 30 DGEDHM Cc1cc(C)c2c(n1)nc(SCC1(C#N)CCC1)[n-]c2=O ZINC000583312225 337313821 /nfs/dbraw/zinc/31/38/21/337313821.db2.gz RLPBDFFMBLHLLB-UHFFFAOYSA-N -1 3 300.387 3.133 20 30 DGEDHM N#CCN(Cc1cccc([O-])c1Br)C1CCCC1 ZINC000459339145 339022765 /nfs/dbraw/zinc/02/27/65/339022765.db2.gz HEWDHUGXHIFQJD-UHFFFAOYSA-N -1 3 309.207 3.423 20 30 DGEDHM CC#CCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000498891716 340024999 /nfs/dbraw/zinc/02/49/99/340024999.db2.gz OXQMUBHTSVYKCZ-UHFFFAOYSA-N -1 3 313.831 3.246 20 30 DGEDHM N#CC(=C([O-])c1ccc(C#Cc2ccccc2)cc1)c1ccncn1 ZINC000546860175 341183817 /nfs/dbraw/zinc/18/38/17/341183817.db2.gz FRCNJRHZWJGUBU-LJQANCHMSA-N -1 3 323.355 3.366 20 30 DGEDHM COc1ccc([O-])c(C(=O)N(CCC#N)c2ccc(F)cc2)c1 ZINC000552130503 341371598 /nfs/dbraw/zinc/37/15/98/341371598.db2.gz QUSZXIQJGNUMAN-UHFFFAOYSA-N -1 3 314.316 3.100 20 30 DGEDHM COC(=O)c1cnc(SCc2ccc(C#N)cc2Cl)[n-]1 ZINC000432659456 534307692 /nfs/dbraw/zinc/30/76/92/534307692.db2.gz QGGQEZDSSQOJQB-UHFFFAOYSA-N -1 3 307.762 3.014 20 30 DGEDHM N#CC(=C([O-])c1cnc2c(F)ccc(F)c2c1)c1ccccn1 ZINC000344742913 534741060 /nfs/dbraw/zinc/74/10/60/534741060.db2.gz PSPPPQSVPHNIGF-LBPRGKRZSA-N -1 3 309.275 3.398 20 30 DGEDHM N#Cc1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1 ZINC000412985393 534796802 /nfs/dbraw/zinc/79/68/02/534796802.db2.gz FLAXXMMDPRNGEV-UHFFFAOYSA-N -1 3 301.733 3.164 20 30 DGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000344973528 527000762 /nfs/dbraw/zinc/00/07/62/527000762.db2.gz BVQAMJCKBCXBMQ-UHFFFAOYSA-N -1 3 318.801 3.087 20 30 DGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000331230536 527017519 /nfs/dbraw/zinc/01/75/19/527017519.db2.gz HAJLPNRTDRYLAO-ZIBATOQPSA-N -1 3 304.390 3.480 20 30 DGEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCC1 ZINC000435428629 527174351 /nfs/dbraw/zinc/17/43/51/527174351.db2.gz RVUAIUYNDRXDFU-UHFFFAOYSA-N -1 3 312.460 3.114 20 30 DGEDHM C=CCN(CC=C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000337950561 527623555 /nfs/dbraw/zinc/62/35/55/527623555.db2.gz XHQLILFWFKVERV-UHFFFAOYSA-N -1 3 324.384 3.364 20 30 DGEDHM CC(C)(C)CCCC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435423544 527660903 /nfs/dbraw/zinc/66/09/03/527660903.db2.gz UYENZCYOQRNFKE-UHFFFAOYSA-N -1 3 300.449 3.114 20 30 DGEDHM CCCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000355108100 528598191 /nfs/dbraw/zinc/59/81/91/528598191.db2.gz ABXZGHPXMHPRQF-OAHLLOKOSA-N -1 3 318.380 3.411 20 30 DGEDHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443351241 528970602 /nfs/dbraw/zinc/97/06/02/528970602.db2.gz MNAHXSPVKFZXEP-ZDUSSCGKSA-N -1 3 312.822 3.069 20 30 DGEDHM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000442657562 529106269 /nfs/dbraw/zinc/10/62/69/529106269.db2.gz SRXSUUMKTHAHIQ-QWRGUYRKSA-N -1 3 301.371 3.126 20 30 DGEDHM CC1(C)COCCN1CC/N=C/c1c([O-])ccc2ccccc21 ZINC000170839478 529131272 /nfs/dbraw/zinc/13/12/72/529131272.db2.gz WJPUISIWTDMPPE-DEDYPNTBSA-N -1 3 312.413 3.075 20 30 DGEDHM CC[C@@H](C#N)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000127173410 529271022 /nfs/dbraw/zinc/27/10/22/529271022.db2.gz GTDLYZHQEWNKRG-NSHDSACASA-N -1 3 308.794 3.431 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)cc1[O-] ZINC000668789585 547542486 /nfs/dbraw/zinc/54/24/86/547542486.db2.gz ZUNQZMWIINAIHL-GOSISDBHSA-N -1 3 314.385 3.187 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4ccsc4[nH]3)nc1-2 ZINC000674299555 548058949 /nfs/dbraw/zinc/05/89/49/548058949.db2.gz PHFHXQCEBLUYDR-JTQLQIEISA-N -1 3 321.365 3.299 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3ocnc3C3CC3)[nH]c21 ZINC000685155033 549738976 /nfs/dbraw/zinc/73/89/76/549738976.db2.gz KOXHEFIFPHROAQ-NSHDSACASA-N -1 3 306.325 3.227 20 30 DGEDHM CCOc1ccc(/C=N\CCOc2ccc(OC)cc2)c([O-])c1 ZINC000730547094 574531448 /nfs/dbraw/zinc/53/14/48/574531448.db2.gz NHYFAYRWFLBOCQ-UYRXBGFRSA-N -1 3 315.369 3.297 20 30 DGEDHM O=[N+]([O-])c1ccc(OCC/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000731563845 574551776 /nfs/dbraw/zinc/55/17/76/574551776.db2.gz WKEYZTSXXHVXSE-LICLKQGHSA-N -1 3 320.732 3.452 20 30 DGEDHM C=CCCNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000735412512 574700023 /nfs/dbraw/zinc/70/00/23/574700023.db2.gz DYWWCMAHFVWZRU-UHFFFAOYSA-N -1 3 308.345 3.042 20 30 DGEDHM C=CCCCCCN(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735407883 574701269 /nfs/dbraw/zinc/70/12/69/574701269.db2.gz AEWPQSAEHPYBRI-UHFFFAOYSA-N -1 3 314.393 3.077 20 30 DGEDHM C=CCCCCCN(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735407883 574701270 /nfs/dbraw/zinc/70/12/70/574701270.db2.gz AEWPQSAEHPYBRI-UHFFFAOYSA-N -1 3 314.393 3.077 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)c2cccc(F)c2)c1[O-] ZINC000735619719 574710030 /nfs/dbraw/zinc/71/00/30/574710030.db2.gz PXRXZTWDARLUNI-AWQFTUOYSA-N -1 3 316.376 3.124 20 30 DGEDHM CC(C)CCN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735796304 574715341 /nfs/dbraw/zinc/71/53/41/574715341.db2.gz ZKYUFCJREIKHHI-UHFFFAOYSA-N -1 3 312.299 3.329 20 30 DGEDHM CC(C)CCN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735796304 574715343 /nfs/dbraw/zinc/71/53/43/574715343.db2.gz ZKYUFCJREIKHHI-UHFFFAOYSA-N -1 3 312.299 3.329 20 30 DGEDHM N#Cc1ccc(COC(=O)c2c[n-]c(-c3ccccc3)n2)c(F)c1 ZINC000735958823 574723353 /nfs/dbraw/zinc/72/33/53/574723353.db2.gz SQANBSQMYDXCQJ-UHFFFAOYSA-N -1 3 321.311 3.444 20 30 DGEDHM CCCCCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736446241 574752195 /nfs/dbraw/zinc/75/21/95/574752195.db2.gz OOZWPXSSJSVZJD-UHFFFAOYSA-N -1 3 301.394 3.190 20 30 DGEDHM CCCCCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736446241 574752197 /nfs/dbraw/zinc/75/21/97/574752197.db2.gz OOZWPXSSJSVZJD-UHFFFAOYSA-N -1 3 301.394 3.190 20 30 DGEDHM C=C(Cl)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000736687553 574802853 /nfs/dbraw/zinc/80/28/53/574802853.db2.gz AMYNCFVSZZQGQT-UHFFFAOYSA-N -1 3 301.773 3.465 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1-c1nnn[n-]1 ZINC000737081571 574822656 /nfs/dbraw/zinc/82/26/56/574822656.db2.gz PBOTXDWCEXZMBA-UITAMQMPSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccc(C)cc2)cc1-c1nn[n-]n1 ZINC000737081571 574822659 /nfs/dbraw/zinc/82/26/59/574822659.db2.gz PBOTXDWCEXZMBA-UITAMQMPSA-N -1 3 320.352 3.080 20 30 DGEDHM CCc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737264774 574835291 /nfs/dbraw/zinc/83/52/91/574835291.db2.gz KOUQIXDEOQPYKF-SFHVURJKSA-N -1 3 308.381 3.378 20 30 DGEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737329430 574838653 /nfs/dbraw/zinc/83/86/53/574838653.db2.gz LXSZCBUFPFGXMR-BQYQJAHWSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737329430 574838654 /nfs/dbraw/zinc/83/86/54/574838654.db2.gz LXSZCBUFPFGXMR-BQYQJAHWSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc2[nH]cc(C=NNc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000737372617 574840616 /nfs/dbraw/zinc/84/06/16/574840616.db2.gz HIBVIWBSJLGDFY-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM Cc1ccc2[nH]cc(C=NNc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000737372617 574840617 /nfs/dbraw/zinc/84/06/17/574840617.db2.gz HIBVIWBSJLGDFY-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737392484 574841308 /nfs/dbraw/zinc/84/13/08/574841308.db2.gz WFBXWBZQDLXVPB-KHPPLWFESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737392484 574841310 /nfs/dbraw/zinc/84/13/10/574841310.db2.gz WFBXWBZQDLXVPB-KHPPLWFESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccccc1C(N=Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737414888 574842104 /nfs/dbraw/zinc/84/21/04/574842104.db2.gz FMFYJJYHFQCVPH-UHFFFAOYSA-N -1 3 318.384 3.401 20 30 DGEDHM Cc1ccccc1C(=NNc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737414888 574842105 /nfs/dbraw/zinc/84/21/05/574842105.db2.gz FMFYJJYHFQCVPH-UHFFFAOYSA-N -1 3 318.384 3.401 20 30 DGEDHM Cc1ccccc1C(N=Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737414888 574842106 /nfs/dbraw/zinc/84/21/06/574842106.db2.gz FMFYJJYHFQCVPH-UHFFFAOYSA-N -1 3 318.384 3.401 20 30 DGEDHM CCOc1ccc(/C=N/[C@H](C)Cc2c(C)noc2C)c([O-])c1 ZINC000737445017 574844029 /nfs/dbraw/zinc/84/40/29/574844029.db2.gz WQUHUGWQFVKFFA-VDCVXVNISA-N -1 3 302.374 3.446 20 30 DGEDHM Cc1cccc(OCCN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000738738206 574880652 /nfs/dbraw/zinc/88/06/52/574880652.db2.gz XPRIXUKGQOBBDY-GOSISDBHSA-N -1 3 324.380 3.003 20 30 DGEDHM Cc1cccc2c1CC[C@@H]2N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738748268 574880985 /nfs/dbraw/zinc/88/09/85/574880985.db2.gz RIWBGCRYCPGWAF-ZWKOTPCHSA-N -1 3 306.365 3.270 20 30 DGEDHM N#Cc1ccc([C@H](N[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC000739108733 574892249 /nfs/dbraw/zinc/89/22/49/574892249.db2.gz WPZOOQYEWCZZDK-MSOLQXFVSA-N -1 3 306.365 3.351 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCCCCCC2)c(F)c1 ZINC000739936311 574916035 /nfs/dbraw/zinc/91/60/35/574916035.db2.gz MIBITAYACVAAGY-UHFFFAOYSA-N -1 3 310.394 3.089 20 30 DGEDHM COc1ccc2c(c1)OCC[C@H]2/N=C\c1c([O-])cccc1OC ZINC000741755341 574968735 /nfs/dbraw/zinc/96/87/35/574968735.db2.gz CZDRNYHTLQVSHU-MXDDHBLUSA-N -1 3 313.353 3.352 20 30 DGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCC[C@@H](C2CC2)C1 ZINC000743449075 575051817 /nfs/dbraw/zinc/05/18/17/575051817.db2.gz MMVAUIWDZWNONN-MRXNPFEDSA-N -1 3 320.458 3.105 20 30 DGEDHM C[C@H](/N=C\c1ccc(O)c([O-])c1O)c1ccc(-n2cccn2)cc1 ZINC000743501084 575054979 /nfs/dbraw/zinc/05/49/79/575054979.db2.gz CTOUHDFQDXDLSR-XHEYCZLTSA-N -1 3 323.352 3.169 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C ZINC000744033939 575069573 /nfs/dbraw/zinc/06/95/73/575069573.db2.gz YYZYGLJJVNJWAE-XSNHNAGMSA-N -1 3 314.385 3.335 20 30 DGEDHM CC(CSC(C)(C)C)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000729637777 575257855 /nfs/dbraw/zinc/25/78/55/575257855.db2.gz UKCQMUWUUVIMQQ-UHFFFAOYSA-N -1 3 314.476 3.014 20 30 DGEDHM COc1cccc([O-])c1/C=N\CCOc1ccc(F)c(F)c1 ZINC000730146633 575276610 /nfs/dbraw/zinc/27/66/10/575276610.db2.gz CJWMHERUFIVAFK-GRSHGNNSSA-N -1 3 307.296 3.177 20 30 DGEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cc[nH]c1 ZINC000745195982 575384401 /nfs/dbraw/zinc/38/44/01/575384401.db2.gz FMLRIXMIXMCUTD-UHFFFAOYSA-N -1 3 315.427 3.069 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC000745990424 575426150 /nfs/dbraw/zinc/42/61/50/575426150.db2.gz DNUKDVVBHHLCNM-RYSHLGEFSA-N -1 3 302.418 3.366 20 30 DGEDHM CCOc1ccc(/C=N\CCc2ccc3c(c2)OCO3)c([O-])c1 ZINC000746244006 575441429 /nfs/dbraw/zinc/44/14/29/575441429.db2.gz HTAGGULSONELOO-ODLFYWEKSA-N -1 3 313.353 3.181 20 30 DGEDHM COc1cc([N+](=O)[O-])ccc1NN=C(C)c1cc(F)ccc1[O-] ZINC000746680545 575469256 /nfs/dbraw/zinc/46/92/56/575469256.db2.gz XNSSISHBJCIDTL-UHFFFAOYSA-N -1 3 319.292 3.284 20 30 DGEDHM Cc1ccc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000747319468 575511519 /nfs/dbraw/zinc/51/15/19/575511519.db2.gz XXIQYTGIPISVKQ-GHXNOFRVSA-N -1 3 315.394 3.263 20 30 DGEDHM O=C(C#Cc1ccccc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000747577877 575525920 /nfs/dbraw/zinc/52/59/20/575525920.db2.gz JEOGCEQPFOAMFH-UHFFFAOYSA-N -1 3 319.282 3.305 20 30 DGEDHM COc1cc(C)nc(N=NC(C)c2ccc3ccccc3c2[O-])n1 ZINC000747634246 575528480 /nfs/dbraw/zinc/52/84/80/575528480.db2.gz BSEIBQGYLTZPOV-UHFFFAOYSA-N -1 3 322.368 3.489 20 30 DGEDHM COC(=O)c1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)o1 ZINC000749451067 575657008 /nfs/dbraw/zinc/65/70/08/575657008.db2.gz FHQHNFRDWIHWFS-FBHKUJJOSA-N -1 3 316.284 3.294 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CCCc2ccc(Cl)cc2)c1[O-] ZINC000749453498 575657090 /nfs/dbraw/zinc/65/70/90/575657090.db2.gz UKXGLMCOHHSVRA-GRSHGNNSSA-N -1 3 318.804 3.293 20 30 DGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cncc([O-])c1 ZINC000750888219 575758178 /nfs/dbraw/zinc/75/81/78/575758178.db2.gz KOFWWRWJYXFEOP-UHFFFAOYSA-N -1 3 321.254 3.015 20 30 DGEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCOc2c(OC)cccc21 ZINC000750949715 575764196 /nfs/dbraw/zinc/76/41/96/575764196.db2.gz IBCQURRGFVRZSV-HIPSJFSSSA-N -1 3 313.353 3.352 20 30 DGEDHM COC(=O)c1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)[nH]1 ZINC000751513530 575788023 /nfs/dbraw/zinc/78/80/23/575788023.db2.gz GSIVFFBNPQKGCJ-LRUQUBRESA-N -1 3 315.300 3.029 20 30 DGEDHM CCCCC[C@H](/N=C\c1ccc(OCC)cc1[O-])C(=O)OC ZINC000751889936 575809593 /nfs/dbraw/zinc/80/95/93/575809593.db2.gz FADYOLIZXBVTEJ-BRYHAGSVSA-N -1 3 307.390 3.332 20 30 DGEDHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737947419 575975543 /nfs/dbraw/zinc/97/55/43/575975543.db2.gz 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/nfs/dbraw/zinc/17/09/23/576170923.db2.gz YBEMAFVZQMCBPU-XQRVVYSFSA-N -1 3 307.353 3.187 20 30 DGEDHM CC1(C)OCC[C@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000852999325 620658411 /nfs/dbraw/zinc/65/84/11/620658411.db2.gz ZCVUJAAAVJBAOF-AXLKIAQESA-N -1 3 312.207 3.389 20 30 DGEDHM C=CC[C@H]1CCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000890545124 617608988 /nfs/dbraw/zinc/60/89/88/617608988.db2.gz CSSJYUHSUFZZDE-JTQLQIEISA-N -1 3 323.418 3.281 20 30 DGEDHM CCCC1N=NC(=S)N1N=Cc1c([O-])cc(C)cc1Cl ZINC000841638324 618053254 /nfs/dbraw/zinc/05/32/54/618053254.db2.gz BNJMDMPHEHTMJI-UHFFFAOYSA-N -1 3 310.810 3.069 20 30 DGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(Cl)c1 ZINC000920386718 620798664 /nfs/dbraw/zinc/79/86/64/620798664.db2.gz DPQWOCHTCWGBGF-UHFFFAOYSA-N -1 3 322.817 3.184 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2cc3ccccc3s2)c1[O-] ZINC000920480031 620805508 /nfs/dbraw/zinc/80/55/08/620805508.db2.gz ZDDNGRMTRJAZSN-GIJQJNRQSA-N -1 3 312.394 3.422 20 30 DGEDHM C=C[C@@H](CC)CC(=O)OCc1nnc(-c2ccccc2[O-])o1 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C=CCN(C(=O)c1cc2sccc2c([O-])c1)[C@@H](C)COC ZINC000855375401 620896281 /nfs/dbraw/zinc/89/62/81/620896281.db2.gz LNEUOANDAHZKRV-NSHDSACASA-N -1 3 305.399 3.270 20 30 DGEDHM N#C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000921551509 620907570 /nfs/dbraw/zinc/90/75/70/620907570.db2.gz NYSWILLRHOTAKG-CYBMUJFWSA-N -1 3 312.291 3.223 20 30 DGEDHM N#C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000921551510 620907601 /nfs/dbraw/zinc/90/76/01/620907601.db2.gz NYSWILLRHOTAKG-ZDUSSCGKSA-N -1 3 312.291 3.223 20 30 DGEDHM C=CCCO[N-]C(=O)CCc1cccc(F)c1Br ZINC000856035555 620955956 /nfs/dbraw/zinc/95/59/56/620955956.db2.gz CTBSHSHLDZLRMY-UHFFFAOYSA-N -1 3 316.170 3.145 20 30 DGEDHM CCC[C@H](C)CCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000881528516 625456783 /nfs/dbraw/zinc/45/67/83/625456783.db2.gz VRSXFOCHCMREQV-LBPRGKRZSA-N -1 3 317.433 3.151 20 30 DGEDHM C#CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000857151544 621062581 /nfs/dbraw/zinc/06/25/81/621062581.db2.gz 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[O-]c1ccc(Br)cc1/C=N\[C@@H]1CCCn2nccc21 ZINC000864348214 621759380 /nfs/dbraw/zinc/75/93/80/621759380.db2.gz HFJDGFQVCIUWPI-DZZSIBQASA-N -1 3 320.190 3.305 20 30 DGEDHM C=C(C)C[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000864530368 621780204 /nfs/dbraw/zinc/78/02/04/621780204.db2.gz WVDHBBLSMISDCW-GFCCVEGCSA-N -1 3 308.428 3.381 20 30 DGEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc(Cl)cs1 ZINC000759431702 621858416 /nfs/dbraw/zinc/85/84/16/621858416.db2.gz NRWDRNYXYSZWDO-LLVKDONJSA-N -1 3 304.758 3.363 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=CSCc2ccco2)nc(C)n1 ZINC000759820997 621893351 /nfs/dbraw/zinc/89/33/51/621893351.db2.gz GCAWEASSDBGUMY-BRLPQQTGSA-N -1 3 313.382 3.310 20 30 DGEDHM CCC[C@@H](C)c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000761851421 622033585 /nfs/dbraw/zinc/03/35/85/622033585.db2.gz FQWVPBXGLKZUMW-SNVBAGLBSA-N -1 3 314.389 3.348 20 30 DGEDHM Cc1cc(Cl)nc(CN[C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866351496 622100904 /nfs/dbraw/zinc/10/09/04/622100904.db2.gz AXKVJQQCUQXRKZ-LLVKDONJSA-N -1 3 301.777 3.472 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cnn(CC(F)(F)F)c1 ZINC000763097064 622122835 /nfs/dbraw/zinc/12/28/35/622122835.db2.gz OILITNMVYOSUDG-FXBPXSCXSA-N -1 3 317.698 3.424 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000869701110 622392843 /nfs/dbraw/zinc/39/28/43/622392843.db2.gz BUCXTJZUDZYBGE-GFCCVEGCSA-N -1 3 321.726 3.230 20 30 DGEDHM COc1ccc(N=NC(C)c2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000767800826 622422419 /nfs/dbraw/zinc/42/24/19/622422419.db2.gz DAMVKSKWZPBIAN-UHFFFAOYSA-N -1 3 319.292 3.284 20 30 DGEDHM [O-]c1c(F)cc(Cl)cc1C=NNc1ccc(Cl)nn1 ZINC000768358878 622451973 /nfs/dbraw/zinc/45/19/73/622451973.db2.gz ZEQCGQKXVHKMOT-UHFFFAOYSA-N -1 3 301.108 3.074 20 30 DGEDHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@H]1CCC[C@@H]1C#N ZINC000870670184 622493624 /nfs/dbraw/zinc/49/36/24/622493624.db2.gz ACZDFPCIEIOZKC-MFKMUULPSA-N -1 3 300.383 3.371 20 30 DGEDHM C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]Oc2cccc(C#N)c2)o1 ZINC000870693699 622497560 /nfs/dbraw/zinc/49/75/60/622497560.db2.gz QUCFYFMSJXLHCG-BLLLJJGKSA-N -1 3 310.353 3.317 20 30 DGEDHM C[C@H](C#N)CN(Cc1cccc(Br)c1[O-])C1CC1 ZINC000769545279 622539992 /nfs/dbraw/zinc/53/99/92/622539992.db2.gz NUCOWRWMVZMEFU-SNVBAGLBSA-N -1 3 309.207 3.279 20 30 DGEDHM CCc1nn(C)cc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000770570830 622647352 /nfs/dbraw/zinc/64/73/52/622647352.db2.gz KKWBSJZAQMLULB-MXFUOJGSSA-N -1 3 300.333 3.211 20 30 DGEDHM O=C1C[C@@H](c2cccc(N=Cc3cc(Cl)ccc3[O-])c2)CN1 ZINC000771835662 622801395 /nfs/dbraw/zinc/80/13/95/622801395.db2.gz BJLFMKDQHRVOQS-GFCCVEGCSA-N -1 3 314.772 3.400 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)nc2)nc(C)n1 ZINC000772645180 622922654 /nfs/dbraw/zinc/92/26/54/622922654.db2.gz WMJSHDSFMVFFDO-LQPUYASZSA-N -1 3 312.760 3.032 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCOc2ccccc2Cl)c1 ZINC000776273588 623405192 /nfs/dbraw/zinc/40/51/92/623405192.db2.gz JBJUBDKRLNIFSA-UHFFFAOYSA-N -1 3 317.728 3.153 20 30 DGEDHM COc1cc(C(=O)O[C@H](C#N)C2CCCCC2)cc(OC)c1[O-] ZINC000776398416 623424352 /nfs/dbraw/zinc/42/43/52/623424352.db2.gz IKVOEPFZDDXJAN-OAHLLOKOSA-N -1 3 319.357 3.039 20 30 DGEDHM N#CCc1cccc2c1CCN(Cc1ccc(F)c(F)c1[O-])C2 ZINC000877660028 623981086 /nfs/dbraw/zinc/98/10/86/623981086.db2.gz GYRJGYHYMVLRKX-UHFFFAOYSA-N -1 3 314.335 3.295 20 30 DGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790748852 625691872 /nfs/dbraw/zinc/69/18/72/625691872.db2.gz DFNQDZNGJLQMTP-UHFFFAOYSA-N -1 3 324.380 3.268 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2cc(Br)nn2C)ccc1[O-] ZINC000782327581 624239502 /nfs/dbraw/zinc/23/95/02/624239502.db2.gz RYXILMQCKGANGH-XQRVVYSFSA-N -1 3 321.174 3.093 20 30 DGEDHM Cc1nscc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000783506512 624359893 /nfs/dbraw/zinc/35/98/93/624359893.db2.gz XFYAWIJDWOVERT-UHFFFAOYSA-N -1 3 322.733 3.137 20 30 DGEDHM C=C(Br)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787850847 625063536 /nfs/dbraw/zinc/06/35/36/625063536.db2.gz UOOFTFJBSSUOIS-UHFFFAOYSA-N -1 3 317.154 3.306 20 30 DGEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(CC)cc1 ZINC000797548783 626152069 /nfs/dbraw/zinc/15/20/69/626152069.db2.gz OQKJUFWHUSFLSI-OAHLLOKOSA-N -1 3 310.353 3.366 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccoc1C1CC1 ZINC000798817215 626247419 /nfs/dbraw/zinc/24/74/19/626247419.db2.gz VFTGQAUBRPQOOF-CYBMUJFWSA-N -1 3 324.336 3.127 20 30 DGEDHM COc1cccc2c(C(=O)O[C@H](C)c3cccc(C#N)c3)n[n-]c21 ZINC000808675715 626847804 /nfs/dbraw/zinc/84/78/04/626847804.db2.gz QFGOAWNLMHKTNG-LLVKDONJSA-N -1 3 321.336 3.361 20 30 DGEDHM COc1cccc2c(C(=O)O[C@H](C)c3cccc(C#N)c3)[n-]nc21 ZINC000808675715 626847807 /nfs/dbraw/zinc/84/78/07/626847807.db2.gz QFGOAWNLMHKTNG-LLVKDONJSA-N -1 3 321.336 3.361 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCC2(CCOCC2)CO1 ZINC000887268952 627239391 /nfs/dbraw/zinc/23/93/91/627239391.db2.gz ZAQXVWIMIKMDNS-GDXCHIGESA-N -1 3 323.820 3.440 20 30 DGEDHM C#CC[C@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000811524218 627287723 /nfs/dbraw/zinc/28/77/23/627287723.db2.gz JIAMCUDYWZRPDG-CQSZACIVSA-N -1 3 313.784 3.410 20 30 DGEDHM C[C@@H]1C(N=Nc2ccccc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000811635785 627297186 /nfs/dbraw/zinc/29/71/86/627297186.db2.gz LQODHFWPTCTAGR-CQSZACIVSA-N -1 3 323.396 3.447 20 30 DGEDHM CCOc1cc(C=NNC[C@H]2CCSC2)cc(Cl)c1[O-] ZINC000811663119 627302264 /nfs/dbraw/zinc/30/22/64/627302264.db2.gz ZTZVLKIHOSVYMG-SNVBAGLBSA-N -1 3 314.838 3.121 20 30 DGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C(F)=CC1CCCCC1 ZINC000815915304 627712837 /nfs/dbraw/zinc/71/28/37/627712837.db2.gz KKODFHFUZAFCKS-LFGHMXSPSA-N -1 3 315.348 3.163 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000819733707 628183954 /nfs/dbraw/zinc/18/39/54/628183954.db2.gz AMKCQXBQUUDRBM-UHFFFAOYSA-N -1 3 317.780 3.227 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000819733707 628183956 /nfs/dbraw/zinc/18/39/56/628183956.db2.gz AMKCQXBQUUDRBM-UHFFFAOYSA-N -1 3 317.780 3.227 20 30 DGEDHM C=CCN(C/C(Cl)=C\Cl)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819739570 628184626 /nfs/dbraw/zinc/18/46/26/628184626.db2.gz AABMRPUJZSBIDF-MDWZMJQESA-N -1 3 324.215 3.174 20 30 DGEDHM C=CCN(C/C(Cl)=C\Cl)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819739570 628184628 /nfs/dbraw/zinc/18/46/28/628184628.db2.gz AABMRPUJZSBIDF-MDWZMJQESA-N -1 3 324.215 3.174 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)CCC2 ZINC000819772251 628188457 /nfs/dbraw/zinc/18/84/57/628188457.db2.gz BJYVVPONOFIMBX-UHFFFAOYSA-N -1 3 324.413 3.253 20 30 DGEDHM CC(C)(C#N)c1ccccc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000819892083 628196812 /nfs/dbraw/zinc/19/68/12/628196812.db2.gz TYUCPZLZYZGNCS-UHFFFAOYSA-N -1 3 318.384 3.280 20 30 DGEDHM CC(C)(C#N)c1ccccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000819892083 628196815 /nfs/dbraw/zinc/19/68/15/628196815.db2.gz TYUCPZLZYZGNCS-UHFFFAOYSA-N -1 3 318.384 3.280 20 30 DGEDHM C[C@H](Nc1ccc(F)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455545 628261020 /nfs/dbraw/zinc/26/10/20/628261020.db2.gz JPWNKPOBFVEJLQ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1ccc(F)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455545 628261023 /nfs/dbraw/zinc/26/10/23/628261023.db2.gz JPWNKPOBFVEJLQ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H]1C(N=Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1c1ccccc1 ZINC000820641082 628281283 /nfs/dbraw/zinc/28/12/83/628281283.db2.gz ABYQFTWKGCFUCD-WBMJQRKESA-N -1 3 318.384 3.458 20 30 DGEDHM C[C@H]1C(N=Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1c1ccccc1 ZINC000820641082 628281285 /nfs/dbraw/zinc/28/12/85/628281285.db2.gz ABYQFTWKGCFUCD-WBMJQRKESA-N -1 3 318.384 3.458 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822231008 628432189 /nfs/dbraw/zinc/43/21/89/628432189.db2.gz XOUNIUPGVPGWTR-AATRIKPKSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822231008 628432190 /nfs/dbraw/zinc/43/21/90/628432190.db2.gz XOUNIUPGVPGWTR-AATRIKPKSA-N -1 3 310.382 3.441 20 30 DGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1cccc(Cl)c1 ZINC000822740157 628487798 /nfs/dbraw/zinc/48/77/98/628487798.db2.gz HLBTUHZRTHTTHH-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cccc(Cl)c1 ZINC000822740157 628487801 /nfs/dbraw/zinc/48/78/01/628487801.db2.gz HLBTUHZRTHTTHH-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#Cc1ccc(SCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822833679 628500477 /nfs/dbraw/zinc/50/04/77/628500477.db2.gz UXULALYDEIPGEC-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(SCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822833679 628500478 /nfs/dbraw/zinc/50/04/78/628500478.db2.gz UXULALYDEIPGEC-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(Cl)c1 ZINC000822924143 628509939 /nfs/dbraw/zinc/50/99/39/628509939.db2.gz YLQIRLNTFPTKBZ-GQCTYLIASA-N -1 3 316.773 3.478 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823497923 628569146 /nfs/dbraw/zinc/56/91/46/628569146.db2.gz AUDCONYMXGVPNV-YVMONPNESA-N -1 3 314.395 3.202 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823497923 628569147 /nfs/dbraw/zinc/56/91/47/628569147.db2.gz AUDCONYMXGVPNV-YVMONPNESA-N -1 3 314.395 3.202 20 30 DGEDHM C#CC[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823838965 628601246 /nfs/dbraw/zinc/60/12/46/628601246.db2.gz XCOWLACJTNEBPQ-HNNXBMFYSA-N -1 3 307.332 3.182 20 30 DGEDHM C#CC[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823838965 628601250 /nfs/dbraw/zinc/60/12/50/628601250.db2.gz XCOWLACJTNEBPQ-HNNXBMFYSA-N -1 3 307.332 3.182 20 30 DGEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000823867588 628605217 /nfs/dbraw/zinc/60/52/17/628605217.db2.gz CQSNJKMHNMBBHC-UHFFFAOYSA-N -1 3 304.313 3.059 20 30 DGEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000823867588 628605220 /nfs/dbraw/zinc/60/52/20/628605220.db2.gz CQSNJKMHNMBBHC-UHFFFAOYSA-N -1 3 304.313 3.059 20 30 DGEDHM C=CCCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CC1 ZINC000823888422 628607343 /nfs/dbraw/zinc/60/73/43/628607343.db2.gz MBZHXMJRWFYIAI-UHFFFAOYSA-N -1 3 317.784 3.059 20 30 DGEDHM C=CCCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CC1 ZINC000823888422 628607347 /nfs/dbraw/zinc/60/73/47/628607347.db2.gz MBZHXMJRWFYIAI-UHFFFAOYSA-N -1 3 317.784 3.059 20 30 DGEDHM C=CCCC[C@H](C)NC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000823894724 628607779 /nfs/dbraw/zinc/60/77/79/628607779.db2.gz WSQBBLBXVMAUSB-NSHDSACASA-N -1 3 314.393 3.041 20 30 DGEDHM C=CCCC[C@H](C)NC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000823894724 628607783 /nfs/dbraw/zinc/60/77/83/628607783.db2.gz WSQBBLBXVMAUSB-NSHDSACASA-N -1 3 314.393 3.041 20 30 DGEDHM CC1(C)CCCC1N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824801082 628695131 /nfs/dbraw/zinc/69/51/31/628695131.db2.gz ADQMFUPNGZOLKP-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM CC1(C)CCCC1N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824801082 628695134 /nfs/dbraw/zinc/69/51/34/628695134.db2.gz ADQMFUPNGZOLKP-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM CC1(C)CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824802005 628695326 /nfs/dbraw/zinc/69/53/26/628695326.db2.gz JKGBDKZFBJASFJ-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CC1(C)CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824802005 628695327 /nfs/dbraw/zinc/69/53/27/628695327.db2.gz JKGBDKZFBJASFJ-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CC1(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCCC1 ZINC000824817331 628697541 /nfs/dbraw/zinc/69/75/41/628697541.db2.gz OBDSBXACRGFJMT-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CC1(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCCC1 ZINC000824817331 628697542 /nfs/dbraw/zinc/69/75/42/628697542.db2.gz OBDSBXACRGFJMT-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000825028362 628717764 /nfs/dbraw/zinc/71/77/64/628717764.db2.gz HBRVZXJXHWCWBI-UHFFFAOYSA-N -1 3 310.336 3.232 20 30 DGEDHM CCc1ccccc1NN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC000825728784 628791957 /nfs/dbraw/zinc/79/19/57/628791957.db2.gz ZVSQFYAHRHIZQK-UHFFFAOYSA-N -1 3 312.402 3.327 20 30 DGEDHM COc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826207906 628832973 /nfs/dbraw/zinc/83/29/73/628832973.db2.gz KABZHZKIRSLWEU-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826207906 628832976 /nfs/dbraw/zinc/83/29/76/628832976.db2.gz KABZHZKIRSLWEU-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826289026 628840177 /nfs/dbraw/zinc/84/01/77/628840177.db2.gz HFRUPVNADJOWIH-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826289026 628840181 /nfs/dbraw/zinc/84/01/81/628840181.db2.gz HFRUPVNADJOWIH-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826290064 628840981 /nfs/dbraw/zinc/84/09/81/628840981.db2.gz YNYPRQMAFXMJON-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826290064 628840983 /nfs/dbraw/zinc/84/09/83/628840983.db2.gz YNYPRQMAFXMJON-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM N#Cc1ccc(SCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826385989 628850796 /nfs/dbraw/zinc/85/07/96/628850796.db2.gz KPTFWSGQPBPLOL-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(SCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826385989 628850801 /nfs/dbraw/zinc/85/08/01/628850801.db2.gz KPTFWSGQPBPLOL-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000827718051 628985183 /nfs/dbraw/zinc/98/51/83/628985183.db2.gz NLTQFXRYLKEDRO-QFYYESIMSA-N -1 3 316.307 3.313 20 30 DGEDHM C#CC1([N-]C(=O)C(F)(F)c2cnc(Cl)c(C)c2)CCCC1 ZINC000829466684 629159299 /nfs/dbraw/zinc/15/92/99/629159299.db2.gz VAXFPRKMNLVGGL-UHFFFAOYSA-N -1 3 312.747 3.197 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)C1CCCCC1 ZINC000829654465 629179347 /nfs/dbraw/zinc/17/93/47/629179347.db2.gz CIEMMPAXOFVDHI-CQSZACIVSA-N -1 3 322.355 3.376 20 30 DGEDHM CCCCCCCC[C@H](C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000830893697 629317543 /nfs/dbraw/zinc/31/75/43/629317543.db2.gz LVBDLCHJZCQZNL-AWEZNQCLSA-N -1 3 319.449 3.454 20 30 DGEDHM C=CCOc1ccc(CN2CCC[C@@H]2CC(=O)[O-])cc1Cl ZINC000833377925 629594449 /nfs/dbraw/zinc/59/44/49/629594449.db2.gz QQZNLPITBDROKV-CYBMUJFWSA-N -1 3 309.793 3.344 20 30 DGEDHM C=CCOc1ccc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000833377559 629594479 /nfs/dbraw/zinc/59/44/79/629594479.db2.gz BQWHLQKOBNXMKE-AAEUAGOBSA-N -1 3 309.793 3.057 20 30 DGEDHM CC(C)CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(C#N)cc1 ZINC000833486210 629610662 /nfs/dbraw/zinc/61/06/62/629610662.db2.gz BZFBAAHELAKGOH-UHFFFAOYSA-N -1 3 311.385 3.243 20 30 DGEDHM C[C@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000833541389 629617728 /nfs/dbraw/zinc/61/77/28/629617728.db2.gz QPDLBOLQGUDYHQ-KBPBESRZSA-N -1 3 324.380 3.261 20 30 DGEDHM N#Cc1cccc(CN[C@H]2CCc3cc(NC(=O)[O-])ccc32)c1 ZINC000833978466 629664831 /nfs/dbraw/zinc/66/48/31/629664831.db2.gz MAVOUWFXPNHIGF-KRWDZBQOSA-N -1 3 307.353 3.425 20 30 DGEDHM CCOc1cc(C=NOC(C)C)cc(Br)c1[O-] ZINC000835004711 629820358 /nfs/dbraw/zinc/82/03/58/629820358.db2.gz WWRMQYUODCRIOJ-UHFFFAOYSA-N -1 3 302.168 3.312 20 30 DGEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc2sccc2c([O-])c1 ZINC000836880075 630178339 /nfs/dbraw/zinc/17/83/39/630178339.db2.gz VURALOUKHMDUIV-OCCSQVGLSA-N -1 3 303.383 3.070 20 30 DGEDHM CC#CCCCC(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837640600 630291365 /nfs/dbraw/zinc/29/13/65/630291365.db2.gz QJJZYYQSSWKEKE-UHFFFAOYSA-N -1 3 310.353 3.086 20 30 DGEDHM CCCNc1ccc(C#N)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000841699467 630456728 /nfs/dbraw/zinc/45/67/28/630456728.db2.gz VDKMWZPUPZGLCA-UHFFFAOYSA-N -1 3 323.400 3.365 20 30 DGEDHM C[C@H](C#N)C[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843793849 630700979 /nfs/dbraw/zinc/70/09/79/630700979.db2.gz FNYNLSIVRSNGTN-SSDOTTSWSA-N -1 3 307.127 3.361 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000844489019 630734351 /nfs/dbraw/zinc/73/43/51/630734351.db2.gz GYWFEBKDDDDWBW-NWDGAFQWSA-N -1 3 324.450 3.003 20 30 DGEDHM C=C(C)CON=Cc1cc(Br)c([O-])c(OC)c1 ZINC000844615650 630743539 /nfs/dbraw/zinc/74/35/39/630743539.db2.gz XHXUDGPKCQWACR-UHFFFAOYSA-N -1 3 300.152 3.090 20 30 DGEDHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000844661053 630757524 /nfs/dbraw/zinc/75/75/24/630757524.db2.gz XHRJJLNZVBTMKE-STQMWFEESA-N -1 3 310.419 3.298 20 30 DGEDHM CSC=CC([O-])=C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000845839605 631198478 /nfs/dbraw/zinc/19/84/78/631198478.db2.gz YSFDXECXASHLPZ-ZADCQDASSA-N -1 3 305.424 3.395 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C1CC(F)(F)C1 ZINC000845841719 631198548 /nfs/dbraw/zinc/19/85/48/631198548.db2.gz PLFKQWFPGOJBSL-CYBMUJFWSA-N -1 3 303.308 3.041 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCc1cncs1 ZINC000845843186 631198790 /nfs/dbraw/zinc/19/87/90/631198790.db2.gz KGQPISZYVFMLIH-OAHLLOKOSA-N -1 3 324.405 3.085 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000846535010 631256275 /nfs/dbraw/zinc/25/62/75/631256275.db2.gz MMRUGXQQZSNEHV-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000846551472 631260083 /nfs/dbraw/zinc/26/00/83/631260083.db2.gz VRUSWAVZRGYIGP-CYBMUJFWSA-N -1 3 300.358 3.287 20 30 DGEDHM C#CC[C@@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000849344517 631897077 /nfs/dbraw/zinc/89/70/77/631897077.db2.gz NXMZAQSBADJBQO-IAQYHMDHSA-N -1 3 309.768 3.340 20 30 DGEDHM Cc1cc(=O)[n-]c(N=NC[C@H](OC(C)C)c2ccccc2)n1 ZINC000792868077 660990334 /nfs/dbraw/zinc/99/03/34/660990334.db2.gz BTDIBJOJZWXQCF-AWEZNQCLSA-N -1 3 300.362 3.055 20 30 DGEDHM Cc1ccc2c(c1)[C@H](/N=C\c1c([O-])c(C)ncc1CO)CCC2 ZINC000793669602 661052517 /nfs/dbraw/zinc/05/25/17/661052517.db2.gz SJOTVYUGYMMGDU-BYSCUOHCSA-N -1 3 310.397 3.393 20 30 DGEDHM Cc1ccc2c(c1)[C@H](/N=C/c1c([O-])c(C)ncc1CO)CCC2 ZINC000793669616 661052689 /nfs/dbraw/zinc/05/26/89/661052689.db2.gz SJOTVYUGYMMGDU-VMHWHBCQSA-N -1 3 310.397 3.393 20 30 DGEDHM Cc1cc(N=Cc2c([O-])c(C)ncc2CO)c(Cl)cc1F ZINC000794677979 661098061 /nfs/dbraw/zinc/09/80/61/661098061.db2.gz YSNNBQALJLYMCP-UHFFFAOYSA-N -1 3 308.740 3.439 20 30 DGEDHM C[C@@H]1CSC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000794677887 661098249 /nfs/dbraw/zinc/09/82/49/661098249.db2.gz YSEYEMGJRQGNMH-NAUUUVFWSA-N -1 3 300.221 3.325 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NCc2c(F)ccc([O-])c2F)o1 ZINC000794500231 661087753 /nfs/dbraw/zinc/08/77/53/661087753.db2.gz WOCRFIGEPQDJTM-UHFFFAOYSA-N -1 3 320.299 3.175 20 30 DGEDHM [O-]c1ccc(F)c(C=NNCc2cnc3ccccc3c2)c1F ZINC000794524285 661088789 /nfs/dbraw/zinc/08/87/89/661088789.db2.gz KCAJSRKVPVRYNY-UHFFFAOYSA-N -1 3 313.307 3.342 20 30 DGEDHM C=CCN(Cc1ccccc1F)C(=O)c1cccc(O)c1[O-] ZINC000186995990 655540116 /nfs/dbraw/zinc/54/01/16/655540116.db2.gz AEFMEYYXXXZVJR-UHFFFAOYSA-N -1 3 301.317 3.065 20 30 DGEDHM CN(C)C(=O)c1ccc(C/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000255302083 655694537 /nfs/dbraw/zinc/69/45/37/655694537.db2.gz KWOZLNWFDCBRIH-ODLFYWEKSA-N -1 3 316.788 3.367 20 30 DGEDHM CC(C)C(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255305733 655695657 /nfs/dbraw/zinc/69/56/57/655695657.db2.gz FFARZIPZQQWWHZ-UHFFFAOYSA-N -1 3 314.341 3.149 20 30 DGEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1C#N ZINC000255509311 655781754 /nfs/dbraw/zinc/78/17/54/655781754.db2.gz RTPXSGHLGUUPQK-UTCJRWHESA-N -1 3 309.321 3.177 20 30 DGEDHM CC(C)Oc1ccc(N=Cc2ccc(O)c([O-])c2O)c(F)c1 ZINC000255605567 655863867 /nfs/dbraw/zinc/86/38/67/655863867.db2.gz JXMNRCHTCFOGPK-UHFFFAOYSA-N -1 3 305.305 3.480 20 30 DGEDHM CC(C)(C)c1csc(COC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000811187175 661231312 /nfs/dbraw/zinc/23/13/12/661231312.db2.gz LRHDVGAZZDTZGR-UHFFFAOYSA-N -1 3 316.382 3.375 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(F)ccc2Cl)c1 ZINC000811187315 661231320 /nfs/dbraw/zinc/23/13/20/661231320.db2.gz FIJURAQSVFMKTP-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)ccc1[O-] ZINC000008322714 656576353 /nfs/dbraw/zinc/57/63/53/656576353.db2.gz KQYKTXBSKXZCKP-WEVVVXLNSA-N -1 3 311.337 3.255 20 30 DGEDHM CCOc1cc(/C=C/C(=O)c2cnn(C)c2)cc(Cl)c1[O-] ZINC000121445280 657699094 /nfs/dbraw/zinc/69/90/94/657699094.db2.gz OLCBDYAEUUFRRX-SNAWJCMRSA-N -1 3 306.749 3.074 20 30 DGEDHM [O-]c1ccc(Br)cc1C=Nn1cnc2ccccc21 ZINC000263630691 658346272 /nfs/dbraw/zinc/34/62/72/658346272.db2.gz VUPLVNXXLZLDAX-UHFFFAOYSA-N -1 3 316.158 3.387 20 30 aggregator DGEDHM CC(C)(C)C[C@@H](O)C/N=C/c1cc(Br)ccc1[O-] ZINC000172156788 659321064 /nfs/dbraw/zinc/32/10/64/659321064.db2.gz ZAZOBKASGYSFQC-GGNJANJASA-N -1 3 314.223 3.371 20 30 DGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccsc1 ZINC000193396056 659694332 /nfs/dbraw/zinc/69/43/32/659694332.db2.gz SAJXQRAOWNVRBU-LBPRGKRZSA-N -1 3 304.758 3.363 20 30 DGEDHM C=CCCN(OCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000189908419 661996526 /nfs/dbraw/zinc/99/65/26/661996526.db2.gz FLTTXGQVJHIYQV-UHFFFAOYSA-N -1 3 313.353 3.248 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/C1CCSCC1 ZINC000194640240 662170596 /nfs/dbraw/zinc/17/05/96/662170596.db2.gz SLKBTVXYPRQTAX-RIYZIHGNSA-N -1 3 300.221 3.469 20 30 DGEDHM C=CCOc1ccc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1Cl ZINC000263034329 685124944 /nfs/dbraw/zinc/12/49/44/685124944.db2.gz HQVIIDZLXTZYCB-JSGCOSHPSA-N -1 3 323.820 3.447 20 30 DGEDHM C#CC[C@@H](Cc1ccccc1)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588333820 1192445228 /nfs/dbraw/zinc/44/52/28/1192445228.db2.gz FLEWKFRTPKAXTE-HNNXBMFYSA-N -1 3 321.359 3.052 20 30 DGEDHM C#CC[C@@H](Cc1ccccc1)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588333820 1192445230 /nfs/dbraw/zinc/44/52/30/1192445230.db2.gz FLEWKFRTPKAXTE-HNNXBMFYSA-N -1 3 321.359 3.052 20 30 DGEDHM C#C[C@H](Nc1nc(C)c(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC001588328695 1192445557 /nfs/dbraw/zinc/44/55/57/1192445557.db2.gz NUGREGZSJMLGAY-AWEZNQCLSA-N -1 3 324.775 3.010 20 30 DGEDHM C#C[C@H](Nc1nc(C)c(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC001588328695 1192445560 /nfs/dbraw/zinc/44/55/60/1192445560.db2.gz NUGREGZSJMLGAY-AWEZNQCLSA-N -1 3 324.775 3.010 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588405280 1192446367 /nfs/dbraw/zinc/44/63/67/1192446367.db2.gz NHRPGZHHJJGHRC-VXGBXAGGSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588405280 1192446369 /nfs/dbraw/zinc/44/63/69/1192446369.db2.gz NHRPGZHHJJGHRC-VXGBXAGGSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588405277 1192446463 /nfs/dbraw/zinc/44/64/63/1192446463.db2.gz NHRPGZHHJJGHRC-RYUDHWBXSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588405277 1192446467 /nfs/dbraw/zinc/44/64/67/1192446467.db2.gz NHRPGZHHJJGHRC-RYUDHWBXSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CC(C)(C)CCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588488311 1192448704 /nfs/dbraw/zinc/44/87/04/1192448704.db2.gz ZIBGYZYKCNTCGG-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CC(C)(C)CCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588488311 1192448706 /nfs/dbraw/zinc/44/87/06/1192448706.db2.gz ZIBGYZYKCNTCGG-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588544636 1192449547 /nfs/dbraw/zinc/44/95/47/1192449547.db2.gz NNWHZZRMIMPFOD-UHFFFAOYSA-N -1 3 323.400 3.451 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588544636 1192449551 /nfs/dbraw/zinc/44/95/51/1192449551.db2.gz NNWHZZRMIMPFOD-UHFFFAOYSA-N -1 3 323.400 3.451 20 30 DGEDHM C=CC[C@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588560578 1192449796 /nfs/dbraw/zinc/44/97/96/1192449796.db2.gz SLUPZYYPBZZKOI-GXFFZTMASA-N -1 3 318.812 3.462 20 30 DGEDHM C=CC[C@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588560578 1192449797 /nfs/dbraw/zinc/44/97/97/1192449797.db2.gz SLUPZYYPBZZKOI-GXFFZTMASA-N -1 3 318.812 3.462 20 30 DGEDHM C=CCCC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588576623 1192449841 /nfs/dbraw/zinc/44/98/41/1192449841.db2.gz YGGBBOHQOYWXEP-UHFFFAOYSA-N -1 3 305.407 3.130 20 30 DGEDHM C=CCCC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588576623 1192449844 /nfs/dbraw/zinc/44/98/44/1192449844.db2.gz YGGBBOHQOYWXEP-UHFFFAOYSA-N -1 3 305.407 3.130 20 30 DGEDHM C=CCC(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588539331 1192450051 /nfs/dbraw/zinc/45/00/51/1192450051.db2.gz HGEWTTGWSVMBQT-NSHDSACASA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588539331 1192450054 /nfs/dbraw/zinc/45/00/54/1192450054.db2.gz HGEWTTGWSVMBQT-NSHDSACASA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001588556586 1192450444 /nfs/dbraw/zinc/45/04/44/1192450444.db2.gz NVHBQGZODOCAHH-UHFFFAOYSA-N -1 3 312.373 3.299 20 30 DGEDHM C=CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001588556586 1192450445 /nfs/dbraw/zinc/45/04/45/1192450445.db2.gz NVHBQGZODOCAHH-UHFFFAOYSA-N -1 3 312.373 3.299 20 30 DGEDHM C=CCCC[C@@H](C)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001588593459 1192451383 /nfs/dbraw/zinc/45/13/83/1192451383.db2.gz CFEYJMCTIJYZJF-SECBINFHSA-N -1 3 306.801 3.380 20 30 DGEDHM C=CCCC[C@@H](C)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001588593459 1192451384 /nfs/dbraw/zinc/45/13/84/1192451384.db2.gz CFEYJMCTIJYZJF-SECBINFHSA-N -1 3 306.801 3.380 20 30 DGEDHM C=CCCCC(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001588582415 1192451406 /nfs/dbraw/zinc/45/14/06/1192451406.db2.gz JPRPWTWZWUCTPI-UHFFFAOYSA-N -1 3 311.389 3.109 20 30 DGEDHM C=CCCCC(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001588582415 1192451408 /nfs/dbraw/zinc/45/14/08/1192451408.db2.gz JPRPWTWZWUCTPI-UHFFFAOYSA-N -1 3 311.389 3.109 20 30 DGEDHM C[C@@H](Oc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001590023539 1192482184 /nfs/dbraw/zinc/48/21/84/1192482184.db2.gz OBHSCAHKLGURJT-SNVBAGLBSA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@@H](Oc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001590023539 1192482187 /nfs/dbraw/zinc/48/21/87/1192482187.db2.gz OBHSCAHKLGURJT-SNVBAGLBSA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@@H]1CCC[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)[C@H]1C ZINC001590244092 1192498274 /nfs/dbraw/zinc/49/82/74/1192498274.db2.gz RNBMBKVSHHURQM-DYEKYZERSA-N -1 3 310.405 3.223 20 30 DGEDHM C[C@@H]1CCC[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)[C@H]1C ZINC001590244092 1192498278 /nfs/dbraw/zinc/49/82/78/1192498278.db2.gz RNBMBKVSHHURQM-DYEKYZERSA-N -1 3 310.405 3.223 20 30 DGEDHM CCCCCCCCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001590592133 1192527971 /nfs/dbraw/zinc/52/79/71/1192527971.db2.gz DOQJONTXGNYTCI-UHFFFAOYSA-N -1 3 302.426 3.449 20 30 DGEDHM CCCCCCCCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001590592133 1192527973 /nfs/dbraw/zinc/52/79/73/1192527973.db2.gz DOQJONTXGNYTCI-UHFFFAOYSA-N -1 3 302.426 3.449 20 30 DGEDHM CCCOc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590647726 1192531219 /nfs/dbraw/zinc/53/12/19/1192531219.db2.gz WVOBEDCGVNAZOJ-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CCCOc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590647726 1192531222 /nfs/dbraw/zinc/53/12/22/1192531222.db2.gz WVOBEDCGVNAZOJ-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CCc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001590878635 1192554680 /nfs/dbraw/zinc/55/46/80/1192554680.db2.gz WZRQVAKSSNDUJK-UHFFFAOYSA-N -1 3 323.331 3.019 20 30 DGEDHM CCc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001590878635 1192554683 /nfs/dbraw/zinc/55/46/83/1192554683.db2.gz WZRQVAKSSNDUJK-UHFFFAOYSA-N -1 3 323.331 3.019 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC001591140736 1192559370 /nfs/dbraw/zinc/55/93/70/1192559370.db2.gz ZZIXJSDMXIENNA-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC001591140736 1192559372 /nfs/dbraw/zinc/55/93/72/1192559372.db2.gz ZZIXJSDMXIENNA-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CSc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001591707242 1192569843 /nfs/dbraw/zinc/56/98/43/1192569843.db2.gz AATAHQWWJXLAOS-UHFFFAOYSA-N -1 3 316.415 3.096 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1C ZINC001591582651 1192566794 /nfs/dbraw/zinc/56/67/94/1192566794.db2.gz HAGGSYQMPZNTAN-VQHVLOKHSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1C ZINC001591582651 1192566796 /nfs/dbraw/zinc/56/67/96/1192566796.db2.gz HAGGSYQMPZNTAN-VQHVLOKHSA-N -1 3 320.352 3.080 20 30 DGEDHM CSc1ccc(Oc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001591714611 1192570346 /nfs/dbraw/zinc/57/03/46/1192570346.db2.gz VQPFIPFJYDRKMG-UHFFFAOYSA-N -1 3 309.354 3.253 20 30 DGEDHM CSc1ccc(Oc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001591714611 1192570350 /nfs/dbraw/zinc/57/03/50/1192570350.db2.gz VQPFIPFJYDRKMG-UHFFFAOYSA-N -1 3 309.354 3.253 20 30 DGEDHM CSc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591707410 1192570848 /nfs/dbraw/zinc/57/08/48/1192570848.db2.gz KNRSTZCCQKDKSQ-UHFFFAOYSA-N -1 3 310.386 3.035 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CSc1ccncc1-c1nnn[n-]1 ZINC001591905998 1192580612 /nfs/dbraw/zinc/58/06/12/1192580612.db2.gz RAKWZNRSJDAUGW-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CSc1ccncc1-c1nn[n-]n1 ZINC001591905998 1192580614 /nfs/dbraw/zinc/58/06/14/1192580614.db2.gz RAKWZNRSJDAUGW-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C)c(C#N)c(SCc2ccccc2-c2nnn[n-]2)n1 ZINC001591945855 1192581602 /nfs/dbraw/zinc/58/16/02/1192581602.db2.gz PJPMMKFAJIDHMQ-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C)c(C#N)c(SCc2ccccc2-c2nn[n-]n2)n1 ZINC001591945855 1192581608 /nfs/dbraw/zinc/58/16/08/1192581608.db2.gz PJPMMKFAJIDHMQ-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(OCc2c(C)cc(C#N)cc2C)ccc1-c1nn[n-]n1 ZINC001592059677 1192590285 /nfs/dbraw/zinc/59/02/85/1192590285.db2.gz RCAJKFSMVDKUNZ-UHFFFAOYSA-N -1 3 319.368 3.243 20 30 DGEDHM Cc1cc(OCc2c(C)cc(-c3nnn[n-]3)cc2C)ccc1C#N ZINC001592060123 1192590657 /nfs/dbraw/zinc/59/06/57/1192590657.db2.gz YRCSTIYZRUXDTI-UHFFFAOYSA-N -1 3 319.368 3.243 20 30 DGEDHM Cc1cc(OCc2c(C)cc(-c3nn[n-]n3)cc2C)ccc1C#N ZINC001592060123 1192590661 /nfs/dbraw/zinc/59/06/61/1192590661.db2.gz YRCSTIYZRUXDTI-UHFFFAOYSA-N -1 3 319.368 3.243 20 30 DGEDHM Cc1cc(Oc2cc(C)c(-c3nn[n-]n3)c(C)c2C)ncc1C#N ZINC001592063265 1192590889 /nfs/dbraw/zinc/59/08/89/1192590889.db2.gz XCLYSTRMLIFASU-UHFFFAOYSA-N -1 3 320.356 3.159 20 30 DGEDHM Cc1ccc([C@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001592135495 1192595021 /nfs/dbraw/zinc/59/50/21/1192595021.db2.gz IPXGSDHTGYNGBT-JTQLQIEISA-N -1 3 310.386 3.281 20 30 DGEDHM Cc1ccc([C@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001592135495 1192595023 /nfs/dbraw/zinc/59/50/23/1192595023.db2.gz IPXGSDHTGYNGBT-JTQLQIEISA-N -1 3 310.386 3.281 20 30 DGEDHM Cc1ccc2c(c1)CC[C@@H]2Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592201249 1192601438 /nfs/dbraw/zinc/60/14/38/1192601438.db2.gz PRQXQWGBIHRTCL-INIZCTEOSA-N -1 3 316.368 3.146 20 30 DGEDHM Cc1ccc2c(c1)CC[C@@H]2Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592201249 1192601440 /nfs/dbraw/zinc/60/14/40/1192601440.db2.gz PRQXQWGBIHRTCL-INIZCTEOSA-N -1 3 316.368 3.146 20 30 DGEDHM Cc1cccc2c1CC[C@H]2Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592244038 1192604034 /nfs/dbraw/zinc/60/40/34/1192604034.db2.gz MRAZBMJIHJLJAL-MRXNPFEDSA-N -1 3 316.368 3.146 20 30 DGEDHM Cc1cccc2c1CC[C@H]2Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592244038 1192604039 /nfs/dbraw/zinc/60/40/39/1192604039.db2.gz MRAZBMJIHJLJAL-MRXNPFEDSA-N -1 3 316.368 3.146 20 30 DGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCC23CCCC3)n1 ZINC001592523339 1192612340 /nfs/dbraw/zinc/61/23/40/1192612340.db2.gz OTNXATJFBCWYTE-UHFFFAOYSA-N -1 3 317.784 3.037 20 30 DGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCC23CCCC3)n1 ZINC001592523339 1192612343 /nfs/dbraw/zinc/61/23/43/1192612343.db2.gz OTNXATJFBCWYTE-UHFFFAOYSA-N -1 3 317.784 3.037 20 30 DGEDHM Clc1cccc(NN=C2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC001592534970 1192614806 /nfs/dbraw/zinc/61/48/06/1192614806.db2.gz ICYMCCHKHNJAHC-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM Clc1cccc(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC001592534970 1192614809 /nfs/dbraw/zinc/61/48/09/1192614809.db2.gz ICYMCCHKHNJAHC-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2c1cccc2Cl ZINC001592698811 1192626396 /nfs/dbraw/zinc/62/63/96/1192626396.db2.gz JCYSUIBXHKKGML-UHFFFAOYSA-N -1 3 322.759 3.086 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2c1cccc2Cl ZINC001592698811 1192626397 /nfs/dbraw/zinc/62/63/97/1192626397.db2.gz JCYSUIBXHKKGML-UHFFFAOYSA-N -1 3 322.759 3.086 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC001592681819 1192626537 /nfs/dbraw/zinc/62/65/37/1192626537.db2.gz IJKAAAHWRUTBER-ONGXEEELSA-N -1 3 302.769 3.014 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC001592681819 1192626542 /nfs/dbraw/zinc/62/65/42/1192626542.db2.gz IJKAAAHWRUTBER-ONGXEEELSA-N -1 3 302.769 3.014 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC001592791900 1192627679 /nfs/dbraw/zinc/62/76/79/1192627679.db2.gz REWONAZQQVTRQQ-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC001592791900 1192627683 /nfs/dbraw/zinc/62/76/83/1192627683.db2.gz REWONAZQQVTRQQ-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM Cc1cc(C#N)ccc1CN1CCc2cc(C(=O)[O-])ccc2C1 ZINC001600075062 1192787616 /nfs/dbraw/zinc/78/76/16/1192787616.db2.gz GYXXGSQZYCCAER-UHFFFAOYSA-N -1 3 306.365 3.123 20 30 DGEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1c([O-])cccc1F ZINC001331970476 1178324354 /nfs/dbraw/zinc/32/43/54/1178324354.db2.gz UNZFXILGHSADNV-UHFFFAOYSA-N -1 3 302.353 3.455 20 30 DGEDHM N#Cc1c(CN2CC[C@H](c3ccc(F)cc3)C2)cccc1C(=O)[O-] ZINC001601081640 1192916651 /nfs/dbraw/zinc/91/66/51/1192916651.db2.gz OFRVCHRXZTUQKS-AWEZNQCLSA-N -1 3 324.355 3.385 20 30 DGEDHM N#Cc1ccc([C@H](N[C@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC001601096492 1192917826 /nfs/dbraw/zinc/91/78/26/1192917826.db2.gz GGFBVVAXGZXZRF-HOCLYGCPSA-N -1 3 312.394 3.413 20 30 DGEDHM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2cccc(F)n2)ccn1 ZINC001344025101 1179366454 /nfs/dbraw/zinc/36/64/54/1179366454.db2.gz YHAQEIRQUOJPBE-YPMHNXCESA-N -1 3 313.332 3.283 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccco1)c1nccn1Cc1ccccc1 ZINC001347076484 1179774520 /nfs/dbraw/zinc/77/45/20/1179774520.db2.gz RZIKIRABSCSIEO-XZVRFQMRSA-N -1 3 317.348 3.414 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1cccc(F)n1 ZINC001347137536 1179782895 /nfs/dbraw/zinc/78/28/95/1179782895.db2.gz OSHZLDBSGHQKJD-WYGGZMRJSA-N -1 3 301.708 3.159 20 30 DGEDHM C=C(CC)CSc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001602767534 1192996951 /nfs/dbraw/zinc/99/69/51/1192996951.db2.gz IHERABASDAWXFQ-UHFFFAOYSA-N -1 3 315.324 3.339 20 30 DGEDHM C=C(CC)CSc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001602767534 1192996952 /nfs/dbraw/zinc/99/69/52/1192996952.db2.gz IHERABASDAWXFQ-UHFFFAOYSA-N -1 3 315.324 3.339 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602808776 1192998174 /nfs/dbraw/zinc/99/81/74/1192998174.db2.gz KSMDWMXDHFIXMQ-UHFFFAOYSA-N -1 3 311.389 3.285 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602808776 1192998178 /nfs/dbraw/zinc/99/81/78/1192998178.db2.gz KSMDWMXDHFIXMQ-UHFFFAOYSA-N -1 3 311.389 3.285 20 30 DGEDHM C=CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccncc1 ZINC001602843217 1193000154 /nfs/dbraw/zinc/00/01/54/1193000154.db2.gz WNVUACGRMXWKLR-MLGOLLRUSA-N -1 3 312.369 3.453 20 30 DGEDHM COc1cc(C#N)cc(Cl)c1OC(=O)c1cccc(F)c1[O-] ZINC001351267570 1180193032 /nfs/dbraw/zinc/19/30/32/1180193032.db2.gz XMUBLFDQNBKAGO-UHFFFAOYSA-N -1 3 321.691 3.284 20 30 DGEDHM C[C@@H](Oc1ccc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001603711984 1193027717 /nfs/dbraw/zinc/02/77/17/1193027717.db2.gz VKDGXNXTUXWPRA-SNVBAGLBSA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@@H](Oc1ccc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001603711984 1193027719 /nfs/dbraw/zinc/02/77/19/1193027719.db2.gz VKDGXNXTUXWPRA-SNVBAGLBSA-N -1 3 309.304 3.017 20 30 DGEDHM CC1(C)CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001603758405 1193029927 /nfs/dbraw/zinc/02/99/27/1193029927.db2.gz QVBQMWPNFKYCME-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC1(C)CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001603758405 1193029930 /nfs/dbraw/zinc/02/99/30/1193029930.db2.gz QVBQMWPNFKYCME-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC001603826781 1193033379 /nfs/dbraw/zinc/03/33/79/1193033379.db2.gz MMFAEPBBWLQZFT-TVNQGELYSA-N -1 3 308.366 3.312 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001603826331 1193033434 /nfs/dbraw/zinc/03/34/34/1193033434.db2.gz JQCJKDFOZUOSQI-GMROUXNLSA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001603826331 1193033437 /nfs/dbraw/zinc/03/34/37/1193033437.db2.gz JQCJKDFOZUOSQI-GMROUXNLSA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@@H]1CC[C@H](C)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001603873741 1193036121 /nfs/dbraw/zinc/03/61/21/1193036121.db2.gz AKGXRQIJCRGQAR-BDAKNGLRSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CC[C@H](C)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001603873741 1193036125 /nfs/dbraw/zinc/03/61/25/1193036125.db2.gz AKGXRQIJCRGQAR-BDAKNGLRSA-N -1 3 319.800 3.139 20 30 DGEDHM CCC(CCC(F)(F)F)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001604029560 1193045545 /nfs/dbraw/zinc/04/55/45/1193045545.db2.gz IOYNGPXKJLWRDS-UHFFFAOYSA-N -1 3 312.299 3.387 20 30 DGEDHM CCC(CCC(F)(F)F)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001604029560 1193045546 /nfs/dbraw/zinc/04/55/46/1193045546.db2.gz IOYNGPXKJLWRDS-UHFFFAOYSA-N -1 3 312.299 3.387 20 30 DGEDHM N#Cc1sccc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC001354576378 1180842645 /nfs/dbraw/zinc/84/26/45/1180842645.db2.gz KBFLXHWXSKQVNS-UHFFFAOYSA-N -1 3 309.253 3.058 20 30 DGEDHM C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cncc(C(=O)[O-])c1 ZINC001604329558 1193065217 /nfs/dbraw/zinc/06/52/17/1193065217.db2.gz SMOCGMHCDPJVDY-SGTLLEGYSA-N -1 3 321.380 3.380 20 30 DGEDHM CCOc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001604464939 1193073906 /nfs/dbraw/zinc/07/39/06/1193073906.db2.gz MUYZGJARQSEEGB-KTKRTIGZSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001604464939 1193073908 /nfs/dbraw/zinc/07/39/08/1193073908.db2.gz MUYZGJARQSEEGB-KTKRTIGZSA-N -1 3 320.352 3.162 20 30 DGEDHM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2cccc(F)n2)nc1 ZINC001357660961 1181416922 /nfs/dbraw/zinc/41/69/22/1181416922.db2.gz CKKMFSWDVDCUAG-GFCCVEGCSA-N -1 3 313.332 3.283 20 30 DGEDHM CC(C)(C)c1nsc([N-]C(=O)c2ccc(C#N)c(Cl)n2)n1 ZINC001358296966 1181475904 /nfs/dbraw/zinc/47/59/04/1181475904.db2.gz HGNOBSLUELXRIB-UHFFFAOYSA-N -1 3 321.793 3.008 20 30 DGEDHM CC(C)(C)c1ccc(C#N)c(NCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001421249640 1181760935 /nfs/dbraw/zinc/76/09/35/1181760935.db2.gz ZINSKGOGAGQFPU-UHFFFAOYSA-N -1 3 323.400 3.236 20 30 DGEDHM N#Cc1ccc(F)c([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC001436643016 1181901465 /nfs/dbraw/zinc/90/14/65/1181901465.db2.gz DAQHBHHKHGBFDR-UHFFFAOYSA-N -1 3 321.214 3.136 20 30 DGEDHM C=C[C@@H](C)ONC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001452736630 1182299896 /nfs/dbraw/zinc/29/98/96/1182299896.db2.gz NTBPDQMIEACQTA-CYBMUJFWSA-N -1 3 313.353 3.207 20 30 DGEDHM N#Cc1cncc(C[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)c1 ZINC001456018714 1182393343 /nfs/dbraw/zinc/39/33/43/1182393343.db2.gz IMCVLHQFMJFDFW-UHFFFAOYSA-N -1 3 321.714 3.015 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC001458023860 1182490052 /nfs/dbraw/zinc/49/00/52/1182490052.db2.gz OFBHJXDQXITJAZ-JTQLQIEISA-N -1 3 305.296 3.491 20 30 DGEDHM CC(C)COc1ncccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001458017376 1182490455 /nfs/dbraw/zinc/49/04/55/1182490455.db2.gz PUEDDACCEYHZHO-UHFFFAOYSA-N -1 3 318.348 3.287 20 30 DGEDHM Cc1ccc(C[C@@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001605842217 1193178449 /nfs/dbraw/zinc/17/84/49/1193178449.db2.gz RRMDERKCIKSAIE-SNVBAGLBSA-N -1 3 324.413 3.151 20 30 DGEDHM Cc1ccc(C[C@@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001605842217 1193178465 /nfs/dbraw/zinc/17/84/65/1193178465.db2.gz RRMDERKCIKSAIE-SNVBAGLBSA-N -1 3 324.413 3.151 20 30 DGEDHM Cc1cccc(C)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001605908107 1193183889 /nfs/dbraw/zinc/18/38/89/1193183889.db2.gz VKQZMNNFNSDNGZ-GDNBJRDFSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cccc(C)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001605908107 1193183890 /nfs/dbraw/zinc/18/38/90/1193183890.db2.gz VKQZMNNFNSDNGZ-GDNBJRDFSA-N -1 3 316.364 3.306 20 30 DGEDHM COc1c(F)ccc(F)c1C(=O)[N-]c1cc(C#N)c(F)cc1F ZINC001462286312 1182933452 /nfs/dbraw/zinc/93/34/52/1182933452.db2.gz XBAVFSANJOZWDQ-UHFFFAOYSA-N -1 3 324.233 3.376 20 30 DGEDHM Clc1sccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001606202823 1193195431 /nfs/dbraw/zinc/19/54/31/1193195431.db2.gz MUKUBBDTEQTYKX-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM N#Cc1ccc(COc2cc(Cl)cc(-c3nnn[n-]3)c2)s1 ZINC001606367902 1193199777 /nfs/dbraw/zinc/19/97/77/1193199777.db2.gz BONSSLPUQQFKKI-UHFFFAOYSA-N -1 3 317.761 3.032 20 30 DGEDHM N#Cc1ccc(COc2cc(Cl)cc(-c3nn[n-]n3)c2)s1 ZINC001606367902 1193199779 /nfs/dbraw/zinc/19/97/79/1193199779.db2.gz BONSSLPUQQFKKI-UHFFFAOYSA-N -1 3 317.761 3.032 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccccc1-c1nnn[n-]1 ZINC001606481993 1193199787 /nfs/dbraw/zinc/19/97/87/1193199787.db2.gz GQQOWKHQHDFKSW-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccccc1-c1nn[n-]n1 ZINC001606481993 1193199790 /nfs/dbraw/zinc/19/97/90/1193199790.db2.gz GQQOWKHQHDFKSW-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])ncc1C#N ZINC001472498655 1183649121 /nfs/dbraw/zinc/64/91/21/1183649121.db2.gz QYOKUPNQZVFLTC-UHFFFAOYSA-N -1 3 321.258 3.238 20 30 DGEDHM C#Cc1ccc(CNC(=O)c2ccc(OCCCC)cc2[O-])cc1 ZINC001472567189 1183653416 /nfs/dbraw/zinc/65/34/16/1183653416.db2.gz UMEAWYJNKBFNTI-UHFFFAOYSA-N -1 3 323.392 3.482 20 30 DGEDHM Cn1nc(C(=O)N([O-])Cc2cccc3ccccc32)cc1Cl ZINC001472622678 1183658424 /nfs/dbraw/zinc/65/84/24/1183658424.db2.gz NBSNXTPZWCHLNC-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM N#CCc1ccc(CN2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001608187847 1193281896 /nfs/dbraw/zinc/28/18/96/1193281896.db2.gz ANKPJNCTALOVPO-UHFFFAOYSA-N -1 3 306.365 3.009 20 30 DGEDHM O=C([O-])CCCN(CC#Cc1ccccc1)Cc1ccccc1 ZINC001608713564 1193301054 /nfs/dbraw/zinc/30/10/54/1193301054.db2.gz MGSRPSHDMBKPFE-UHFFFAOYSA-N -1 3 307.393 3.405 20 30 DGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CC1(C)C ZINC001609061157 1193322634 /nfs/dbraw/zinc/32/26/34/1193322634.db2.gz IKVYUWRJSPOXMZ-LLVKDONJSA-N -1 3 304.785 3.354 20 30 DGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CC1(C)C ZINC001609061157 1193322636 /nfs/dbraw/zinc/32/26/36/1193322636.db2.gz IKVYUWRJSPOXMZ-LLVKDONJSA-N -1 3 304.785 3.354 20 30 DGEDHM C=CCC(C)(C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609052605 1193322701 /nfs/dbraw/zinc/32/27/01/1193322701.db2.gz JMJYRNCPDXODTO-LLVKDONJSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC(C)(C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609052605 1193322705 /nfs/dbraw/zinc/32/27/05/1193322705.db2.gz JMJYRNCPDXODTO-LLVKDONJSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC(C)(C)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609052606 1193322877 /nfs/dbraw/zinc/32/28/77/1193322877.db2.gz JMJYRNCPDXODTO-NSHDSACASA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC(C)(C)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609052606 1193322883 /nfs/dbraw/zinc/32/28/83/1193322883.db2.gz JMJYRNCPDXODTO-NSHDSACASA-N -1 3 300.362 3.073 20 30 DGEDHM C[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)[C@H]1C ZINC001609154909 1193326693 /nfs/dbraw/zinc/32/66/93/1193326693.db2.gz JONDNFCVUUYPLE-YUMQZZPRSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)[C@H]1C ZINC001609154909 1193326694 /nfs/dbraw/zinc/32/66/94/1193326694.db2.gz JONDNFCVUUYPLE-YUMQZZPRSA-N -1 3 324.310 3.329 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nnn[n-]1)C2 ZINC001609428550 1193338115 /nfs/dbraw/zinc/33/81/15/1193338115.db2.gz KVXBQXKLGGFBRI-UKTHLTGXSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)s1 ZINC001609417252 1193337451 /nfs/dbraw/zinc/33/74/51/1193337451.db2.gz BNECRZMKZUZOLL-SREVYHEPSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)s1 ZINC001609417252 1193337452 /nfs/dbraw/zinc/33/74/52/1193337452.db2.gz BNECRZMKZUZOLL-SREVYHEPSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nn[n-]n1)C2 ZINC001609428550 1193338119 /nfs/dbraw/zinc/33/81/19/1193338119.db2.gz KVXBQXKLGGFBRI-UKTHLTGXSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nnn[n-]1)C2 ZINC001609428549 1193338194 /nfs/dbraw/zinc/33/81/94/1193338194.db2.gz KVXBQXKLGGFBRI-LCYFTJDESA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nn[n-]n1)C2 ZINC001609428549 1193338197 /nfs/dbraw/zinc/33/81/97/1193338197.db2.gz KVXBQXKLGGFBRI-LCYFTJDESA-N -1 3 320.327 3.137 20 30 DGEDHM O=C(C=Cc1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC001609517672 1193343629 /nfs/dbraw/zinc/34/36/29/1193343629.db2.gz IIYFKSBUJCHYAG-HJWRWDBZSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC001609517672 1193343632 /nfs/dbraw/zinc/34/36/32/1193343632.db2.gz IIYFKSBUJCHYAG-HJWRWDBZSA-N -1 3 310.744 3.416 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ncccc1Br ZINC001611655729 1193439050 /nfs/dbraw/zinc/43/90/50/1193439050.db2.gz PJDZSCGJRNGVJX-UHFFFAOYSA-N -1 3 301.184 3.256 20 30 DGEDHM C[C@H](C(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC001611650530 1193439063 /nfs/dbraw/zinc/43/90/63/1193439063.db2.gz AUKDCFOAIIQDBD-JTQLQIEISA-N -1 3 313.781 3.036 20 30 DGEDHM COC(=O)c1oc(C(=O)N([O-])Cc2ccccc2Cl)cc1C ZINC001611651041 1193439155 /nfs/dbraw/zinc/43/91/55/1193439155.db2.gz WQEJEVHBOHOGGC-UHFFFAOYSA-N -1 3 323.732 3.060 20 30 DGEDHM CCCCN([O-])C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC001611657836 1193439214 /nfs/dbraw/zinc/43/92/14/1193439214.db2.gz JJLOXGJKCKTOJY-UHFFFAOYSA-N -1 3 322.405 3.433 20 30 DGEDHM O=C(c1cc2c(cn1)OCCC2)N([O-])Cc1ccccc1Cl ZINC001611651101 1193439340 /nfs/dbraw/zinc/43/93/40/1193439340.db2.gz YZQOBUZNFYSYFI-UHFFFAOYSA-N -1 3 318.760 3.092 20 30 DGEDHM Cc1nc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)co1 ZINC001611642249 1193439381 /nfs/dbraw/zinc/43/93/81/1193439381.db2.gz KAYULIBHBWYJOO-UHFFFAOYSA-N -1 3 301.129 3.321 20 30 DGEDHM Cn1cnc2cc(C(=O)N([O-])Cc3ccccc3Cl)ccc21 ZINC001611650610 1193439524 /nfs/dbraw/zinc/43/95/24/1193439524.db2.gz DCIAOZNKAZYKKY-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cscc1Br ZINC001520037624 1186913030 /nfs/dbraw/zinc/91/30/30/1186913030.db2.gz ZGRMELOYIZKBRI-MRVPVSSYSA-N -1 3 324.203 3.217 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(C(F)F)cc1F ZINC001526587434 1187376740 /nfs/dbraw/zinc/37/67/40/1187376740.db2.gz PQJLXNGLSNHNOU-NSHDSACASA-N -1 3 307.275 3.470 20 30 DGEDHM CC1(C)C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CCO1 ZINC001559033970 1189163717 /nfs/dbraw/zinc/16/37/17/1189163717.db2.gz HKJJUOYIXUJAFV-INIZCTEOSA-N -1 3 305.418 3.432 20 30 DGEDHM O=C(C1=Cc2cc(F)ccc2OC1)N([O-])Cc1ccc(F)cc1 ZINC001559037319 1189164730 /nfs/dbraw/zinc/16/47/30/1189164730.db2.gz RKUWVTWDBHTZQP-UHFFFAOYSA-N -1 3 317.291 3.159 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1nsc2ccccc12 ZINC001559387880 1189200728 /nfs/dbraw/zinc/20/07/28/1189200728.db2.gz NZRYUZNHZILVMH-UHFFFAOYSA-N -1 3 304.400 3.072 20 30 DGEDHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1[O-] ZINC001569927635 1190775047 /nfs/dbraw/zinc/77/50/47/1190775047.db2.gz FZHJEIJPIVELCM-JKSUJKDBSA-N -1 3 320.348 3.209 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001620551278 1193778059 /nfs/dbraw/zinc/77/80/59/1193778059.db2.gz LWMJTHGFUGHKMO-UHFFFAOYSA-N -1 3 320.396 3.064 20 30 DGEDHM C=C(CC)C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001622237353 1193891220 /nfs/dbraw/zinc/89/12/20/1193891220.db2.gz VIOWZKGNBRHJQE-UHFFFAOYSA-N -1 3 308.428 3.055 20 30 DGEDHM C=CCO[N-]C(=O)Cc1c(C)cc(C)c(Br)c1C ZINC001624260431 1193988986 /nfs/dbraw/zinc/98/89/86/1193988986.db2.gz VXAQJZJLZGDLOD-UHFFFAOYSA-N -1 3 312.207 3.151 20 30 DGEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(CC)ccc1[O-] ZINC001629090991 1194213882 /nfs/dbraw/zinc/21/38/82/1194213882.db2.gz VISDGWHBWQUVOG-UHFFFAOYSA-N -1 3 313.328 3.358 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001631901138 1194361576 /nfs/dbraw/zinc/36/15/76/1194361576.db2.gz MPXKZLPTJJTNKP-UHFFFAOYSA-N -1 3 323.190 3.097 20 30 DGEDHM CNc1ccc(C#N)cc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC001633876003 1194460998 /nfs/dbraw/zinc/46/09/98/1194460998.db2.gz ZKJXANCQOQSWJS-UHFFFAOYSA-N -1 3 321.380 3.437 20 30 DGEDHM CC(=O)c1cccc(NC(=O)[C@@H](CC#N)c2ccccc2)c1[O-] ZINC001636953740 1194642658 /nfs/dbraw/zinc/64/26/58/1194642658.db2.gz XFDIAKDZQJWZCN-HNNXBMFYSA-N -1 3 308.337 3.231 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 ZINC001638252894 1194708877 /nfs/dbraw/zinc/70/88/77/1194708877.db2.gz JAGINBKPDAVIEY-NSHDSACASA-N -1 3 312.394 3.477 20 30 DGEDHM C=CCCCCCCCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC001638407695 1194716778 /nfs/dbraw/zinc/71/67/78/1194716778.db2.gz UKQRHRPOFWRKQZ-UHFFFAOYSA-N -1 3 305.374 3.377 20 30 DGEDHM O=C(Cc1c[nH]c2cnccc12)N([O-])Cc1ccccc1Cl ZINC001639058646 1194749005 /nfs/dbraw/zinc/74/90/05/1194749005.db2.gz OYJGJCOEFYYCKF-UHFFFAOYSA-N -1 3 315.760 3.177 20 30 DGEDHM O=C(C[C@H]1Cc2ccccc2O1)N([O-])Cc1ccccc1Cl ZINC001639059015 1194749045 /nfs/dbraw/zinc/74/90/45/1194749045.db2.gz ZQKZGWQGAWDQRQ-CQSZACIVSA-N -1 3 317.772 3.452 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001639072190 1194749770 /nfs/dbraw/zinc/74/97/70/1194749770.db2.gz XTEMEINFTXTYRE-HNNXBMFYSA-N -1 3 310.825 3.322 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001640634716 1194822824 /nfs/dbraw/zinc/82/28/24/1194822824.db2.gz DBCZGZWIWFLOAK-VIFPVBQESA-N -1 3 323.190 3.095 20 30 DGEDHM C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)n1ccnc1 ZINC001641843283 1194874583 /nfs/dbraw/zinc/87/45/83/1194874583.db2.gz DYNKCBNGHCHLSR-VIFPVBQESA-N -1 3 314.172 3.169 20 30 DGEDHM CC1(C)CCc2onc(C(=O)N([O-])Cc3ccc(F)cc3)c2C1 ZINC001641878148 1194877315 /nfs/dbraw/zinc/87/73/15/1194877315.db2.gz WQQYTBPBYZKAQT-UHFFFAOYSA-N -1 3 318.348 3.360 20 30 DGEDHM N#Cc1ccc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)cc1 ZINC001643452486 1195025501 /nfs/dbraw/zinc/02/55/01/1195025501.db2.gz GAQJIZHJJZESNS-UHFFFAOYSA-N -1 3 303.321 3.300 20 30 DGEDHM Cc1c([O-])ccc2c(CSc3cccnc3C#N)cc(=O)oc12 ZINC001643924822 1195063696 /nfs/dbraw/zinc/06/36/96/1195063696.db2.gz NLAVYHLNZMINNU-UHFFFAOYSA-N -1 3 324.361 3.366 20 30 DGEDHM O=C(c1cccc(Cl)c1[N+](=O)[O-])N([O-])Cc1ccc(F)cc1 ZINC001654826458 1195845367 /nfs/dbraw/zinc/84/53/67/1195845367.db2.gz WGCJZERTSLDGQU-UHFFFAOYSA-N -1 3 324.695 3.419 20 30 DGEDHM 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ZINC001225509983 1096454512 /nfs/dbraw/zinc/45/45/12/1096454512.db2.gz ARHQYSDSIZNXMZ-MRVPVSSYSA-N -1 3 304.127 3.259 20 30 DGEDHM C[C@@H]1C[C@H](Oc2cccc(/C=N/[O-])c2)CN1C(=O)OC(C)(C)C ZINC001226110898 1096614293 /nfs/dbraw/zinc/61/42/93/1096614293.db2.gz YJUCWARCIGNLEK-JTQCSIJCSA-N -1 3 320.389 3.271 20 30 DGEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226116482 1096616985 /nfs/dbraw/zinc/61/69/85/1096616985.db2.gz CUBHFIHCTOAROQ-NSHDSACASA-N -1 3 322.430 3.308 20 30 DGEDHM CCCCOC[C@@H](C)OC[C@@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226116806 1096617061 /nfs/dbraw/zinc/61/70/61/1096617061.db2.gz URTUGAIGNUQICK-GECXBNKPSA-N -1 3 309.406 3.484 20 30 DGEDHM Cc1ccnc(N2CCC(Oc3cccc(/C=N/[O-])c3)CC2)c1 ZINC001226116054 1096617280 /nfs/dbraw/zinc/61/72/80/1096617280.db2.gz MUHIHLKIXPHGED-DEDYPNTBSA-N -1 3 311.385 3.246 20 30 DGEDHM CC(C)Oc1cc(COc2cc(C#N)ccc2[O-])c(F)cn1 ZINC001227352521 1096919354 /nfs/dbraw/zinc/91/93/54/1096919354.db2.gz JZTCXQIGSKLNAC-UHFFFAOYSA-N -1 3 302.305 3.164 20 30 DGEDHM CCCCCCC[C@@H](CC)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227431211 1096930940 /nfs/dbraw/zinc/93/09/40/1096930940.db2.gz SIQJIBPJPVUHIP-SNVBAGLBSA-N -1 3 308.382 3.282 20 30 DGEDHM CCCCCCC[C@@H](CC)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227431211 1096930943 /nfs/dbraw/zinc/93/09/43/1096930943.db2.gz SIQJIBPJPVUHIP-SNVBAGLBSA-N -1 3 308.382 3.282 20 30 DGEDHM C=C[C@H](CCCCCCC)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227430620 1096931041 /nfs/dbraw/zinc/93/10/41/1096931041.db2.gz MWTGTQSZCBSOQO-SNVBAGLBSA-N -1 3 306.366 3.058 20 30 DGEDHM C=C[C@H](CCCCCCC)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227430620 1096931044 /nfs/dbraw/zinc/93/10/44/1096931044.db2.gz MWTGTQSZCBSOQO-SNVBAGLBSA-N -1 3 306.366 3.058 20 30 DGEDHM N#C[C@H]1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937292 1097016733 /nfs/dbraw/zinc/01/67/33/1097016733.db2.gz IAJFHPTUZJVHLV-GXTWGEPZSA-N -1 3 323.348 3.400 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(=O)nc3cccnc32)O1 ZINC001228008663 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CC(=O)/C=C(/C)[N-]S(=O)(=O)c1ccc(Cl)c(C)c1Cl ZINC001191760284 1100507466 /nfs/dbraw/zinc/50/74/66/1100507466.db2.gz IOSIAGDNLMULNC-SREVYHEPSA-N -1 3 322.213 3.073 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2nc3ccc(F)cc3o2)c(F)c1 ZINC001191904619 1100543662 /nfs/dbraw/zinc/54/36/62/1100543662.db2.gz MENPBXDKKKTTGY-UHFFFAOYSA-N -1 3 317.226 3.369 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2ccc(F)c(C#N)c2F)c(F)c1 ZINC001191937192 1100546294 /nfs/dbraw/zinc/54/62/94/1100546294.db2.gz VJJBPVYYEUDVKE-UHFFFAOYSA-N -1 3 319.217 3.239 20 30 DGEDHM Cc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193147046 1100712147 /nfs/dbraw/zinc/71/21/47/1100712147.db2.gz WCDVEMRJFAASFI-ZDUSSCGKSA-N -1 3 300.383 3.316 20 30 DGEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1Cl ZINC001193149891 1100712557 /nfs/dbraw/zinc/71/25/57/1100712557.db2.gz BSDGCUKPMMJXLC-SECBINFHSA-N -1 3 300.811 3.291 20 30 DGEDHM [O-]/N=C/c1ccc(F)c(-c2ccc(N3CCOCC3)cc2)c1 ZINC001240767209 1101129770 /nfs/dbraw/zinc/12/97/70/1101129770.db2.gz 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C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001252971677 1105862930 /nfs/dbraw/zinc/86/29/30/1105862930.db2.gz UEAMYODJJUIJCI-DOMZBBRYSA-N -1 3 306.381 3.465 20 30 DGEDHM C#CC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC001256562860 1106445888 /nfs/dbraw/zinc/44/58/88/1106445888.db2.gz MACQJEDTMKHEMR-UHFFFAOYSA-N -1 3 303.836 3.016 20 30 DGEDHM CC(C)(C)c1ccc(C#N)c(OCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001262029002 1107582807 /nfs/dbraw/zinc/58/28/07/1107582807.db2.gz IRPBSSHBYJZFPU-UHFFFAOYSA-N -1 3 324.384 3.203 20 30 DGEDHM C=C[C@H](CC)CC(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001289643701 1110217011 /nfs/dbraw/zinc/21/70/11/1110217011.db2.gz IJCKIBNXRRQBIB-LLVKDONJSA-N -1 3 315.373 3.280 20 30 DGEDHM CCOC(=O)C(C)(C)CC(=O)N([O-])Cc1ccccc1Cl ZINC001306894348 1111247065 /nfs/dbraw/zinc/24/70/65/1111247065.db2.gz JWSFIWDDDKCFRD-UHFFFAOYSA-N -1 3 313.781 3.037 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001306896553 1111247886 /nfs/dbraw/zinc/24/78/86/1111247886.db2.gz 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N#CCC1CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598696063 400860150 /nfs/dbraw/zinc/86/01/50/400860150.db2.gz SHZFOWOJZRVNGG-UHFFFAOYSA-N -1 3 312.291 3.177 20 30 DGEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000594333975 401047045 /nfs/dbraw/zinc/04/70/45/401047045.db2.gz YPJBEGXEGVYQQA-AWEZNQCLSA-N -1 3 320.392 3.422 20 30 DGEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000594815148 401172688 /nfs/dbraw/zinc/17/26/88/401172688.db2.gz MBKKTGCHQSRAKM-UHFFFAOYSA-N -1 3 323.842 3.067 20 30 DGEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(C)cccc1[O-] ZINC000627156641 401450021 /nfs/dbraw/zinc/45/00/21/401450021.db2.gz FCFCFPVNDNQSQC-UHFFFAOYSA-N -1 3 315.369 3.004 20 30 DGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cscc1Br ZINC000632301779 401598626 /nfs/dbraw/zinc/59/86/26/401598626.db2.gz NADJHYPAAHGTHN-MRVPVSSYSA-N -1 3 324.265 3.144 20 30 DGEDHM CCC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000228900158 165389991 /nfs/dbraw/zinc/38/99/91/165389991.db2.gz UMHTYOVFRPOITD-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCOC3(CCCCC3)C2)c1O ZINC000128490125 227008051 /nfs/dbraw/zinc/00/80/51/227008051.db2.gz ADFCZHLEGUGADD-VBEHJTROSA-N -1 3 305.374 3.104 20 30 DGEDHM N#CC(=C([O-])c1cnc2c(F)ccc(F)c2c1)c1ccccn1 ZINC000344742911 229144157 /nfs/dbraw/zinc/14/41/57/229144157.db2.gz PSPPPQSVPHNIGF-GFCCVEGCSA-N -1 3 309.275 3.398 20 30 DGEDHM Cc1ncoc1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000354094370 229289161 /nfs/dbraw/zinc/28/91/61/229289161.db2.gz XOVMIFFOIJDMBP-SNVBAGLBSA-N -1 3 301.371 3.487 20 30 DGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)(C)C ZINC000503488338 267222336 /nfs/dbraw/zinc/22/23/36/267222336.db2.gz MQGGOFQBQSWALI-ZDUSSCGKSA-N -1 3 314.838 3.315 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c(Cl)c1 ZINC000355717596 268204979 /nfs/dbraw/zinc/20/49/79/268204979.db2.gz WLJPPJCHZXDBOB-CQSZACIVSA-N -1 3 324.833 3.213 20 30 DGEDHM CC(C)[C@H](C/N=C/c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000115184074 431435917 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ZINC000041517124 431859752 /nfs/dbraw/zinc/85/97/52/431859752.db2.gz OJWPICWNHHBOFM-HNNXBMFYSA-N -1 3 322.393 3.186 20 30 DGEDHM Cc1cc(Br)oc1C([O-])=C(C#N)c1ccccn1 ZINC000048540614 431927821 /nfs/dbraw/zinc/92/78/21/431927821.db2.gz YNALQEBEAIAFKL-VIFPVBQESA-N -1 3 305.131 3.236 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1 ZINC000049456730 431939900 /nfs/dbraw/zinc/93/99/00/431939900.db2.gz HANHXGKHQQBIHH-OAHLLOKOSA-N -1 3 302.337 3.066 20 30 DGEDHM Cc1nnsc1C(=O)[N-]c1ccccc1SCCC#N ZINC000191412765 432261741 /nfs/dbraw/zinc/26/17/41/432261741.db2.gz HPMMRHOVWSSHDB-UHFFFAOYSA-N -1 3 304.400 3.105 20 30 DGEDHM Cc1nnsc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000191413690 432261967 /nfs/dbraw/zinc/26/19/67/432261967.db2.gz KGNCIEJKPUZZLI-VIFPVBQESA-N -1 3 318.427 3.493 20 30 DGEDHM Cc1nnsc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000191463689 432267038 /nfs/dbraw/zinc/26/70/38/432267038.db2.gz XMQRHSJLBCGEAE-UHFFFAOYSA-N -1 3 306.416 3.330 20 30 DGEDHM CC(C)c1ccc(C(=O)N(CCC#N)Cc2ccccn2)c([O-])c1 ZINC000271246775 432361621 /nfs/dbraw/zinc/36/16/21/432361621.db2.gz IMIWQXVMOCJLRN-UHFFFAOYSA-N -1 3 323.396 3.467 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2cc(Br)cn2C)n1 ZINC000192769483 432411316 /nfs/dbraw/zinc/41/13/16/432411316.db2.gz HDTDQSZHPCVBJG-SECBINFHSA-N -1 3 324.203 3.043 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1Cc1ccccc1 ZINC000193389914 432471295 /nfs/dbraw/zinc/47/12/95/432471295.db2.gz XTTKIGRNIMVMGA-MRXNPFEDSA-N -1 3 316.364 3.125 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3ccnc3)cc2)n1 ZINC000193268415 432461608 /nfs/dbraw/zinc/46/16/08/432461608.db2.gz OESHJTKHKWUFJR-CQSZACIVSA-N -1 3 308.366 3.127 20 30 DGEDHM N#CC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000263646864 432560645 /nfs/dbraw/zinc/56/06/45/432560645.db2.gz CQXQPKKPQFWPMH-UHFFFAOYSA-N -1 3 320.392 3.359 20 30 DGEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(O)cc1[O-] ZINC000194221435 432533044 /nfs/dbraw/zinc/53/30/44/432533044.db2.gz JZBIHVPNCASNFG-UHFFFAOYSA-N -1 3 301.317 3.065 20 30 DGEDHM CC[C@H](CC#N)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188141251 432707042 /nfs/dbraw/zinc/70/70/42/432707042.db2.gz VKRIMKCAIJOERY-MRVPVSSYSA-N -1 3 308.794 3.214 20 30 DGEDHM C[C@@H]1CN(c2ccc(/N=C/c3cccc([O-])c3O)cc2)CCO1 ZINC000265548058 432709399 /nfs/dbraw/zinc/70/93/99/432709399.db2.gz VRKHSQZSRWPRQP-OTGIAGGSSA-N -1 3 312.369 3.074 20 30 DGEDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000227302987 432712296 /nfs/dbraw/zinc/71/22/96/432712296.db2.gz OAJGRBXUOKFISD-MNOVXSKESA-N -1 3 314.838 3.315 20 30 DGEDHM COc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 ZINC000159314741 432680396 /nfs/dbraw/zinc/68/03/96/432680396.db2.gz SHCDJOYFDSDGPO-AWEZNQCLSA-N -1 3 316.744 3.049 20 30 DGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(F)c1C#N ZINC000188647794 432736947 /nfs/dbraw/zinc/73/69/47/432736947.db2.gz LVPGDHPWFCTDQC-ZDUSSCGKSA-N -1 3 318.311 3.074 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000162524207 432826454 /nfs/dbraw/zinc/82/64/54/432826454.db2.gz DQJUINRMHSZONF-UHFFFAOYSA-N -1 3 313.357 3.056 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000162524207 432826457 /nfs/dbraw/zinc/82/64/57/432826457.db2.gz DQJUINRMHSZONF-UHFFFAOYSA-N -1 3 313.357 3.056 20 30 DGEDHM COc1cc(SC)ccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000278160171 432888279 /nfs/dbraw/zinc/88/82/79/432888279.db2.gz PGCWMTUYVWYETH-QGMBQPNBSA-N -1 3 318.398 3.069 20 30 DGEDHM C=CCCOCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000296293381 432892771 /nfs/dbraw/zinc/89/27/71/432892771.db2.gz HYHIOQNNGXPPDF-UHFFFAOYSA-N -1 3 313.397 3.187 20 30 DGEDHM O=C1N/C(=N\C2CCCC2)S/C1=C\c1c(F)ccc([O-])c1F ZINC000280022644 432999369 /nfs/dbraw/zinc/99/93/69/432999369.db2.gz KCIDKFUHVMSRCU-GHXNOFRVSA-N -1 3 324.352 3.173 20 30 DGEDHM C=C(C)CN1CCC(N=c2nc(C3CCCC3)[n-]s2)CC1 ZINC000420604900 433224450 /nfs/dbraw/zinc/22/44/50/433224450.db2.gz TUIHUHKMTMORCW-UHFFFAOYSA-N -1 3 306.479 3.070 20 30 DGEDHM N#CC(=C([O-])c1ccc2c(c1)COC2)c1cnc2ccccc2n1 ZINC000361541616 433234422 /nfs/dbraw/zinc/23/44/22/433234422.db2.gz RAVIQBADIOMHGL-OAHLLOKOSA-N -1 3 315.332 3.150 20 30 DGEDHM N#Cc1ccsc1C(=O)[N-]c1cc(-c2cccc(F)c2)on1 ZINC000448542801 433419692 /nfs/dbraw/zinc/41/96/92/433419692.db2.gz LXIMOKIRFKWBIQ-UHFFFAOYSA-N -1 3 313.313 3.666 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCCCC(F)(F)C2)c1[O-] ZINC000292157189 433483140 /nfs/dbraw/zinc/48/31/40/433483140.db2.gz VWWZASDAYYHRLA-BFNDQCEFSA-N -1 3 312.360 3.222 20 30 DGEDHM CCCOc1ccc(/C=N/CCNC(=O)[C@H](C)CCC)c([O-])c1 ZINC000292369019 433560749 /nfs/dbraw/zinc/56/07/49/433560749.db2.gz SCQKONQHKIGVLE-NFECSFHCSA-N -1 3 320.433 3.152 20 30 DGEDHM N#Cc1cc2c(nc1[N-]C(=O)c1c(F)cccc1F)CCCC2 ZINC000342417698 433677464 /nfs/dbraw/zinc/67/74/64/433677464.db2.gz ROVKTYMYYNDPJO-UHFFFAOYSA-N -1 3 313.307 3.363 20 30 DGEDHM C=C[C@@H]1CCCCN1C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000343011041 433771882 /nfs/dbraw/zinc/77/18/82/433771882.db2.gz LYWDMGFBJMBUDC-CYBMUJFWSA-N -1 3 314.360 3.156 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)N3CCc4ccc(C#N)cc43)n[n-]2)o1 ZINC000339810897 433796575 /nfs/dbraw/zinc/79/65/75/433796575.db2.gz FCXHBBBCXRZMNI-UHFFFAOYSA-N -1 3 318.336 3.053 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)N3CCc4ccc(C#N)cc43)[n-]n2)o1 ZINC000339810897 433796583 /nfs/dbraw/zinc/79/65/83/433796583.db2.gz FCXHBBBCXRZMNI-UHFFFAOYSA-N -1 3 318.336 3.053 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cc([N+](=O)[O-])c(C)cc2C)nc(C)n1 ZINC000422115876 433877710 /nfs/dbraw/zinc/87/77/10/433877710.db2.gz CUKOLOJDXHHBHD-CQSZACIVSA-N -1 3 324.340 3.109 20 30 DGEDHM N#Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1F ZINC000352013245 433855293 /nfs/dbraw/zinc/85/52/93/433855293.db2.gz IDBBILNOUFLINJ-IWQZZHSRSA-N -1 3 318.311 3.013 20 30 DGEDHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(C#N)cc1 ZINC000357203657 433907269 /nfs/dbraw/zinc/90/72/69/433907269.db2.gz LGPUWZVQTAMTEX-LLVKDONJSA-N -1 3 314.772 3.337 20 30 DGEDHM C=CCNC(=O)c1ccc(NC(=O)c2ccc(C)c(C)c2[O-])cc1 ZINC000436563419 434012975 /nfs/dbraw/zinc/01/29/75/434012975.db2.gz LUTDQDOHJSLZQG-UHFFFAOYSA-N -1 3 324.380 3.177 20 30 DGEDHM COc1ccc([O-])c(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416107478 434020677 /nfs/dbraw/zinc/02/06/77/434020677.db2.gz ORCMWNSESJTCOR-QGZVFWFLSA-N -1 3 322.364 3.080 20 30 DGEDHM Cc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)c([O-])c1C ZINC000436611086 434036633 /nfs/dbraw/zinc/03/66/33/434036633.db2.gz YPFSEGCSJXOCNC-UHFFFAOYSA-N -1 3 306.365 3.300 20 30 DGEDHM CC1(C)C[C@@]1(C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436804491 434118247 /nfs/dbraw/zinc/11/82/47/434118247.db2.gz BHWIMDPYHAGAGH-FQEVSTJZSA-N -1 3 320.392 3.405 20 30 DGEDHM C=CCSCCNCc1cccc([O-])c1Br ZINC000315234665 434160396 /nfs/dbraw/zinc/16/03/96/434160396.db2.gz KPZTWCJSUVLYQB-UHFFFAOYSA-N -1 3 302.237 3.164 20 30 DGEDHM N#C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ccccc1F ZINC000436958658 434185837 /nfs/dbraw/zinc/18/58/37/434185837.db2.gz CJFIRDMEWBZCAM-QGZVFWFLSA-N -1 3 324.355 3.405 20 30 DGEDHM C=CC[C@@H](CC)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286528301 434278081 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574823066 /nfs/dbraw/zinc/82/30/66/574823066.db2.gz UNOWNLRFPCMJKY-SKCQWOFPSA-N -1 3 320.433 3.404 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737345235 574839748 /nfs/dbraw/zinc/83/97/48/574839748.db2.gz QCQMQDFYFGHMRM-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737345235 574839749 /nfs/dbraw/zinc/83/97/49/574839749.db2.gz QCQMQDFYFGHMRM-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM CN(CCCC#N)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737415946 574842175 /nfs/dbraw/zinc/84/21/75/574842175.db2.gz WLFGDRXLJOKMHP-GFCCVEGCSA-N -1 3 301.173 3.355 20 30 DGEDHM CC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccc(F)cc1F ZINC000737440803 574844014 /nfs/dbraw/zinc/84/40/14/574844014.db2.gz QFZCHQAOJFSJTL-QRQZCWQFSA-N -1 3 320.339 3.436 20 30 DGEDHM N#Cc1ccc([C@@H](N[C@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC000739108745 574892424 /nfs/dbraw/zinc/89/24/24/574892424.db2.gz WPZOOQYEWCZZDK-ZWKOTPCHSA-N -1 3 306.365 3.351 20 30 DGEDHM 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3 323.801 3.341 20 30 DGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000746370380 575448863 /nfs/dbraw/zinc/44/88/63/575448863.db2.gz LLUBXXWWPLFYGL-CQSZACIVSA-N -1 3 316.426 3.286 20 30 DGEDHM COc1ccc([O-])c(C=NNc2cc([N+](=O)[O-])ccc2C)c1 ZINC000747062138 575493970 /nfs/dbraw/zinc/49/39/70/575493970.db2.gz SYYOUMBLNFYEJM-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(C#N)cc1 ZINC000749062322 575624468 /nfs/dbraw/zinc/62/44/68/575624468.db2.gz MRUKAHUKJYKXEJ-NSHDSACASA-N -1 3 307.309 3.459 20 30 DGEDHM C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(C#N)cc1 ZINC000749062322 575624472 /nfs/dbraw/zinc/62/44/72/575624472.db2.gz MRUKAHUKJYKXEJ-NSHDSACASA-N -1 3 307.309 3.459 20 30 DGEDHM CCOc1ccc(/C=N\[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c([O-])c1 ZINC000749931678 575689288 /nfs/dbraw/zinc/68/92/88/575689288.db2.gz SZZVTYKMKOKPRX-DKBNIINFSA-N -1 3 323.458 3.290 20 30 DGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccccc1C1CC1 ZINC000751130305 575771287 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COc1cccc([O-])c1/C=N\[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000728225969 576170138 /nfs/dbraw/zinc/17/01/38/576170138.db2.gz BXJNIBOPMGVSGD-WXYNYTDUSA-N -1 3 324.380 3.100 20 30 DGEDHM COc1cc([N+](=O)[O-])ccc1NN=C(C)c1ccc([O-])c(F)c1 ZINC000728430016 576181161 /nfs/dbraw/zinc/18/11/61/576181161.db2.gz WZGBSSPSCBQCAH-UHFFFAOYSA-N -1 3 319.292 3.284 20 30 DGEDHM COc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc([O-])c(F)c1 ZINC000728430016 576181162 /nfs/dbraw/zinc/18/11/62/576181162.db2.gz WZGBSSPSCBQCAH-UHFFFAOYSA-N -1 3 319.292 3.284 20 30 DGEDHM C#C[C@H](/N=C\c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000852998285 620658440 /nfs/dbraw/zinc/65/84/40/620658440.db2.gz JYARNMMEAQTSKF-XGHPXPSOSA-N -1 3 322.202 3.002 20 30 DGEDHM Cc1cccc2c1CCC[C@@H]2/N=C/c1c([O-])c(C)ncc1CO ZINC000852999027 620658939 /nfs/dbraw/zinc/65/89/39/620658939.db2.gz ULEXHWOGEMEJRY-FWOHHPOZSA-N -1 3 310.397 3.393 20 30 DGEDHM N#CC1(COC(=O)c2cccc3[n-]c(C(F)F)nc32)CCC1 ZINC000924085768 618313090 /nfs/dbraw/zinc/31/30/90/618313090.db2.gz RLVNNEWHUAJPDB-UHFFFAOYSA-N -1 3 305.284 3.351 20 30 DGEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581555 620819802 /nfs/dbraw/zinc/81/98/02/620819802.db2.gz PAOASWVLOZQCLA-AWEZNQCLSA-N -1 3 318.377 3.178 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CC[C@H]2CCc3ccccc32)c1[O-] ZINC000840706493 618975350 /nfs/dbraw/zinc/97/53/50/618975350.db2.gz IERKSAYENVHGQQ-UWOKGBPVSA-N -1 3 310.397 3.127 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CC12CCOCC2 ZINC000840708373 618982095 /nfs/dbraw/zinc/98/20/95/618982095.db2.gz FWIXZSRYJCPXSC-BPKVKKHESA-N -1 3 310.191 3.143 20 30 DGEDHM CCCCCCCCCC(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000752770712 619108269 /nfs/dbraw/zinc/10/82/69/619108269.db2.gz AAQZEJAREWRJTD-UHFFFAOYSA-N -1 3 305.422 3.208 20 30 DGEDHM COc1ccnc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000900091625 619404036 /nfs/dbraw/zinc/40/40/36/619404036.db2.gz DRWBJFVDRRIRDV-UHFFFAOYSA-N -1 3 308.337 3.275 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)c(C)nn1 ZINC000900095114 619404098 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ZINC000903683454 619798191 /nfs/dbraw/zinc/79/81/91/619798191.db2.gz OGYNNMDRFDBPDP-UHFFFAOYSA-N -1 3 312.394 3.483 20 30 DGEDHM N#Cc1ccc(C2(NCc3ccc(C(=O)[O-])s3)CCC2)cc1 ZINC000903690725 619799063 /nfs/dbraw/zinc/79/90/63/619799063.db2.gz OXNLXAGQUWMCKN-UHFFFAOYSA-N -1 3 312.394 3.487 20 30 DGEDHM O=C(N([O-])Cc1ccc(F)cc1)C12CC(C(F)(F)F)(C1)C2 ZINC000904173313 619891914 /nfs/dbraw/zinc/89/19/14/619891914.db2.gz JCUXDKCEWWYZJR-UHFFFAOYSA-N -1 3 303.255 3.276 20 30 DGEDHM O=C([C@@H]1CCC(=O)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178449 619893324 /nfs/dbraw/zinc/89/33/24/619893324.db2.gz KLEZXKKDLWFGEI-SECBINFHSA-N -1 3 302.157 3.080 20 30 DGEDHM CCCCN([O-])C(=O)CCCOc1ccc(C(C)=O)cc1OC ZINC000904208582 619893950 /nfs/dbraw/zinc/89/39/50/619893950.db2.gz BHNTXEBQGNBEGZ-UHFFFAOYSA-N -1 3 323.389 3.075 20 30 DGEDHM Cc1ncsc1CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904193048 619895541 /nfs/dbraw/zinc/89/55/41/619895541.db2.gz JXPXTBXIRPKNSZ-UHFFFAOYSA-N -1 3 310.806 3.456 20 30 DGEDHM CCCCN([O-])C(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000904215683 619898612 /nfs/dbraw/zinc/89/86/12/619898612.db2.gz KDHPGFRQAITTFG-UHFFFAOYSA-N -1 3 310.341 3.198 20 30 DGEDHM CCCCN([O-])C(=O)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000904216028 619898729 /nfs/dbraw/zinc/89/87/29/619898729.db2.gz VOFSSBLGMWUZET-OLZOCXBDSA-N -1 3 314.426 3.088 20 30 DGEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000908658423 620216127 /nfs/dbraw/zinc/21/61/27/620216127.db2.gz BRKOTNUKQXICRY-AWEZNQCLSA-N -1 3 307.777 3.186 20 30 DGEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(SC)ccc1[O-] ZINC000908662843 620216648 /nfs/dbraw/zinc/21/66/48/620216648.db2.gz CVZHZTXTGCGFHF-CQSZACIVSA-N -1 3 319.426 3.254 20 30 DGEDHM CCC(=O)Nc1ccc(C)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000915980182 620610913 /nfs/dbraw/zinc/61/09/13/620610913.db2.gz YKAZMARLSNEJQP-UHFFFAOYSA-N -1 3 314.341 3.211 20 30 DGEDHM Cc1c(Cl)cccc1NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000915960965 620611116 /nfs/dbraw/zinc/61/11/16/620611116.db2.gz XMUHAVGJNZYSHA-UHFFFAOYSA-N 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GXUSSWRCPQCIEM-VIFPVBQESA-N -1 3 307.781 3.063 20 30 DGEDHM [O-]c1cccc(Br)c1C=NO[C@H]1CCCCO1 ZINC000863103540 621638949 /nfs/dbraw/zinc/63/89/49/621638949.db2.gz CFGTZIUTZSHLRK-LBPRGKRZSA-N -1 3 300.152 3.032 20 30 DGEDHM CC#CCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000757730305 621736637 /nfs/dbraw/zinc/73/66/37/621736637.db2.gz YIIOAXSOEVEJNR-UHFFFAOYSA-N -1 3 319.158 3.019 20 30 DGEDHM CC(C)(C/N=C\c1cc(Cl)ccc1[O-])C(=O)N1CCCC1 ZINC000864346703 621758949 /nfs/dbraw/zinc/75/89/49/621758949.db2.gz ZLEJGFJHBUWIOZ-ZDLGFXPLSA-N -1 3 308.809 3.113 20 30 DGEDHM C[C@@H]1C[C@H]1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000758371431 621777713 /nfs/dbraw/zinc/77/77/13/621777713.db2.gz KGCJHNMWGZGTNN-PWSUYJOCSA-N -1 3 304.444 3.349 20 30 DGEDHM C=C(C)C[C@H](NCc1cccc(F)c1Br)C(=O)[O-] ZINC000864529425 621780351 /nfs/dbraw/zinc/78/03/51/621780351.db2.gz IPWKCIXBGDKAJJ-NSHDSACASA-N -1 3 316.170 3.097 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=CSCc2ccco2)nc(C)n1 ZINC000759821000 621893536 /nfs/dbraw/zinc/89/35/36/621893536.db2.gz GCAWEASSDBGUMY-DYLGSBMWSA-N -1 3 313.382 3.310 20 30 DGEDHM Cc1ccc(N(C)C(C)C)c(C([O-])=C(C#N)c2ccncn2)c1 ZINC000760358276 621935430 /nfs/dbraw/zinc/93/54/30/621935430.db2.gz OUFOBIPCFALKHH-HNNXBMFYSA-N -1 3 308.385 3.120 20 30 DGEDHM CCN(CC)c1ccnc(N=NC(C)c2ccc([O-])c(F)c2)n1 ZINC000762618765 622087260 /nfs/dbraw/zinc/08/72/60/622087260.db2.gz XGDDXXPGWDMCQA-UHFFFAOYSA-N -1 3 317.368 3.004 20 30 DGEDHM COc1cc(C(=O)/C=C/c2c(OC)cccc2OC)ccc1[O-] ZINC000121791291 622181531 /nfs/dbraw/zinc/18/15/31/622181531.db2.gz JYOQOEAHPNTINY-CSKARUKUSA-N -1 3 314.337 3.314 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(O)cc2)c(OC)cc1[O-] ZINC000122520124 622338584 /nfs/dbraw/zinc/33/85/84/622338584.db2.gz HYKIGOBRTMTLEX-VMPITWQZSA-N -1 3 300.310 3.011 20 30 DGEDHM CC(=NNc1cc(C#N)cc(Cl)n1)c1ccc(F)cc1[O-] ZINC000768372803 622452889 /nfs/dbraw/zinc/45/28/89/622452889.db2.gz DNAKHFLJPWPPJQ-UHFFFAOYSA-N -1 3 304.712 3.287 20 30 DGEDHM CC(N=Nc1cc(C#N)cc(Cl)n1)c1ccc(F)cc1[O-] ZINC000768372803 622452892 /nfs/dbraw/zinc/45/28/92/622452892.db2.gz DNAKHFLJPWPPJQ-UHFFFAOYSA-N -1 3 304.712 3.287 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)C[C@@H](c2ccc(O)cc2)C2CC2)c1 ZINC000870689830 622496784 /nfs/dbraw/zinc/49/67/84/622496784.db2.gz CERWQIYMCALKDR-GOSISDBHSA-N -1 3 322.364 3.258 20 30 DGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CC[C@H]1c1ccccc1 ZINC000769781092 622559330 /nfs/dbraw/zinc/55/93/30/622559330.db2.gz VVGSZTZMIHZYRL-INIZCTEOSA-N -1 3 314.410 3.040 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccnc(Cl)c2)nc(C)n1 ZINC000771259399 622734427 /nfs/dbraw/zinc/73/44/27/622734427.db2.gz ZPNIKWFPINADFT-ITDFMYJTSA-N -1 3 312.760 3.032 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000874643985 623316553 /nfs/dbraw/zinc/31/65/53/623316553.db2.gz KXKXVLIUGQINTD-QMMMGPOBSA-N -1 3 308.250 3.489 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000775747229 623321752 /nfs/dbraw/zinc/32/17/52/623321752.db2.gz RNLCMLZIYUGHBY-SECBINFHSA-N -1 3 323.245 3.412 20 30 DGEDHM CC(C)(C)CN(CCC#N)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878122361 624178184 /nfs/dbraw/zinc/17/81/84/624178184.db2.gz WQZIDWJOCBJSTI-UHFFFAOYSA-N -1 3 314.389 3.204 20 30 DGEDHM C#C[C@@](C)(CC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000878297379 624239081 /nfs/dbraw/zinc/23/90/81/624239081.db2.gz FIMLQYKYBFHLNU-SFHVURJKSA-N -1 3 324.384 3.081 20 30 DGEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000878297378 624239307 /nfs/dbraw/zinc/23/93/07/624239307.db2.gz FIMLQYKYBFHLNU-GOSISDBHSA-N -1 3 324.384 3.081 20 30 DGEDHM O=C(CCCc1ccc([O-])c(F)c1)OCC#Cc1ccccc1 ZINC000791457394 625807135 /nfs/dbraw/zinc/80/71/35/625807135.db2.gz GKWCAEGSYKSQSK-UHFFFAOYSA-N -1 3 312.340 3.449 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CC2CC(c3ccccc3)C2)c1[O-] ZINC000801645952 626412859 /nfs/dbraw/zinc/41/28/59/626412859.db2.gz JIKIRAZNDKMBLH-JAIQZWGSSA-N -1 3 310.397 3.201 20 30 DGEDHM Cc1ccc2c(c1)[C@@H](/N=C\c1c([O-])c(C)ncc1CO)CCC2 ZINC000806552383 626720037 /nfs/dbraw/zinc/72/00/37/626720037.db2.gz SJOTVYUGYMMGDU-OIQMFWTRSA-N -1 3 310.397 3.393 20 30 DGEDHM COc1cccc2c(C(=O)O[C@H](C#N)C3CCCCC3)n[n-]c21 ZINC000808672153 626847937 /nfs/dbraw/zinc/84/79/37/626847937.db2.gz FIDGOYTXPNQWLL-CQSZACIVSA-N -1 3 313.357 3.201 20 30 DGEDHM COc1cccc2c(C(=O)O[C@H](C#N)C3CCCCC3)[n-]nc21 ZINC000808672153 626847941 /nfs/dbraw/zinc/84/79/41/626847941.db2.gz FIDGOYTXPNQWLL-CQSZACIVSA-N -1 3 313.357 3.201 20 30 DGEDHM O=C1c2ccccc2C(=O)N1N=Cc1ccc2ccccc2c1[O-] ZINC000814692012 627584113 /nfs/dbraw/zinc/58/41/13/627584113.db2.gz WSFJRLFSHPOSAL-UHFFFAOYSA-N -1 3 316.316 3.176 20 30 DGEDHM Cc1cc(C)n(N=Cc2ccc3ccccc3c2[O-])c(=O)c1C#N ZINC000814774246 627590401 /nfs/dbraw/zinc/59/04/01/627590401.db2.gz TYAIYNOMXNWSEE-UHFFFAOYSA-N -1 3 317.348 3.078 20 30 DGEDHM [O-]c1c(C=NN[C@H](CO)c2ccccc2)ccc2ccccc12 ZINC000814919911 627607946 /nfs/dbraw/zinc/60/79/46/627607946.db2.gz UKZPOIUATAFUPE-GOSISDBHSA-N -1 3 306.365 3.203 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1c(F)cccc1OC(F)F ZINC000815737125 627701031 /nfs/dbraw/zinc/70/10/31/627701031.db2.gz YGOOIIMLLNHHON-UHFFFAOYSA-N -1 3 309.234 3.255 20 30 DGEDHM N#CCCC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000817318647 627882049 /nfs/dbraw/zinc/88/20/49/627882049.db2.gz FPGJKOYYDHLMIC-HNNXBMFYSA-N -1 3 310.353 3.263 20 30 DGEDHM CC[C@H](NCc1nn(C)cc1C(F)F)c1cccc(C#N)c1[O-] ZINC000926805056 627958294 /nfs/dbraw/zinc/95/82/94/627958294.db2.gz NAKZWGSRCDOKPE-ZDUSSCGKSA-N -1 3 320.343 3.176 20 30 DGEDHM C=CCn1cc(CN[C@H](CC)c2cccc(Cl)c2[O-])nn1 ZINC000818348050 628017299 /nfs/dbraw/zinc/01/72/99/628017299.db2.gz YOXSRTWYBMIFLX-CQSZACIVSA-N -1 3 306.797 3.064 20 30 DGEDHM N#C[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000928222336 628126673 /nfs/dbraw/zinc/12/66/73/628126673.db2.gz JDKRQYHQXVNQLO-KRWDZBQOSA-N -1 3 320.392 3.359 20 30 DGEDHM C=CCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819750661 628185498 /nfs/dbraw/zinc/18/54/98/628185498.db2.gz IYSDXXJSKIVQJI-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM C=CCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819750661 628185500 /nfs/dbraw/zinc/18/55/00/628185500.db2.gz IYSDXXJSKIVQJI-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM CCCCCCCC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC000821051050 628332298 /nfs/dbraw/zinc/33/22/98/628332298.db2.gz XHOSTZKBGDAZGW-UHFFFAOYSA-N -1 3 301.394 3.190 20 30 DGEDHM CCCCCCCC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC000821051050 628332301 /nfs/dbraw/zinc/33/23/01/628332301.db2.gz XHOSTZKBGDAZGW-UHFFFAOYSA-N -1 3 301.394 3.190 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000821476138 628373695 /nfs/dbraw/zinc/37/36/95/628373695.db2.gz JMSPGPORXGVSNP-ALCCZGGFSA-N -1 3 312.304 3.057 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821476138 628373697 /nfs/dbraw/zinc/37/36/97/628373697.db2.gz JMSPGPORXGVSNP-ALCCZGGFSA-N -1 3 312.304 3.057 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000821477130 628373954 /nfs/dbraw/zinc/37/39/54/628373954.db2.gz ZPPVBTYPFHSXEE-HWKANZROSA-N -1 3 316.411 3.448 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000821477130 628373959 /nfs/dbraw/zinc/37/39/59/628373959.db2.gz ZPPVBTYPFHSXEE-HWKANZROSA-N -1 3 316.411 3.448 20 30 DGEDHM COc1ccc(C=C2CCCC(C)(C)C2=O)cc1-c1nnn[n-]1 ZINC000821787123 628397209 /nfs/dbraw/zinc/39/72/09/628397209.db2.gz OLTSVGDGGSKJEM-FMIVXFBMSA-N -1 3 312.373 3.038 20 30 DGEDHM COc1ccc(C=C2CCCC(C)(C)C2=O)cc1-c1nn[n-]n1 ZINC000821787123 628397210 /nfs/dbraw/zinc/39/72/10/628397210.db2.gz OLTSVGDGGSKJEM-FMIVXFBMSA-N -1 3 312.373 3.038 20 30 DGEDHM Clc1cscc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000822591850 628468437 /nfs/dbraw/zinc/46/84/37/628468437.db2.gz YKKLJQJVBJQJRC-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1cscc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000822591850 628468442 /nfs/dbraw/zinc/46/84/42/628468442.db2.gz YKKLJQJVBJQJRC-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM N#CCOc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822815300 628498158 /nfs/dbraw/zinc/49/81/58/628498158.db2.gz OPRCNMLQOCZHSW-UHFFFAOYSA-N -1 3 323.381 3.061 20 30 DGEDHM N#CCOc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822815300 628498162 /nfs/dbraw/zinc/49/81/62/628498162.db2.gz OPRCNMLQOCZHSW-UHFFFAOYSA-N -1 3 323.381 3.061 20 30 DGEDHM N#Cc1ccc(Sc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC000822833404 628500252 /nfs/dbraw/zinc/50/02/52/628500252.db2.gz PZHGMENMHLWEJT-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1cccc(SCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822837653 628501017 /nfs/dbraw/zinc/50/10/17/628501017.db2.gz QINMMXFILCAKIA-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(SCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000822837653 628501020 /nfs/dbraw/zinc/50/10/20/628501020.db2.gz QINMMXFILCAKIA-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(F)c(F)c1 ZINC000822922560 628509653 /nfs/dbraw/zinc/50/96/53/628509653.db2.gz HNYSPXWCOPSJCP-DJWKRKHSSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)CCC2 ZINC000822922782 628509777 /nfs/dbraw/zinc/50/97/77/628509777.db2.gz JSJHOTWWZDQFKP-TWGQIWQCSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)CCC2 ZINC000822922782 628509780 /nfs/dbraw/zinc/50/97/80/628509780.db2.gz JSJHOTWWZDQFKP-TWGQIWQCSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1Cl ZINC000822929183 628510380 /nfs/dbraw/zinc/51/03/80/628510380.db2.gz RAFMURCXPFQIJU-FNORWQNLSA-N -1 3 316.773 3.478 20 30 DGEDHM CC(C)(C#N)c1ccccc1CN1CCCC[C@H]1CNC(=O)[O-] ZINC000823737751 628592273 /nfs/dbraw/zinc/59/22/73/628592273.db2.gz KWLVSIQILDNMLY-HNNXBMFYSA-N -1 3 315.417 3.110 20 30 DGEDHM c1ccc([C@H]2C[C@@H]2CN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823861478 628603815 /nfs/dbraw/zinc/60/38/15/628603815.db2.gz KELRKJKZXUFPOI-GDBMZVCRSA-N -1 3 304.357 3.068 20 30 DGEDHM c1ccc([C@H]2C[C@@H]2CN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823861478 628603819 /nfs/dbraw/zinc/60/38/19/628603819.db2.gz KELRKJKZXUFPOI-GDBMZVCRSA-N -1 3 304.357 3.068 20 30 DGEDHM C[C@H](CC=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824400302 628657952 /nfs/dbraw/zinc/65/79/52/628657952.db2.gz DWXJTVOWEGBZKX-CQSZACIVSA-N -1 3 320.400 3.136 20 30 DGEDHM C[C@H](CC=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400302 628657953 /nfs/dbraw/zinc/65/79/53/628657953.db2.gz DWXJTVOWEGBZKX-CQSZACIVSA-N -1 3 320.400 3.136 20 30 DGEDHM N#CCN(Cc1ccc(Br)cc1[O-])C1CCCC1 ZINC000824848896 628700233 /nfs/dbraw/zinc/70/02/33/628700233.db2.gz BYPCDCFQOYHZPN-UHFFFAOYSA-N -1 3 309.207 3.423 20 30 DGEDHM C[C@@H]1CCC[C@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824925191 628707252 /nfs/dbraw/zinc/70/72/52/628707252.db2.gz BLSKOUOWQLVTKU-ZJUUUORDSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCC[C@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824925191 628707257 /nfs/dbraw/zinc/70/72/57/628707257.db2.gz BLSKOUOWQLVTKU-ZJUUUORDSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CCC[C@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824925189 628707442 /nfs/dbraw/zinc/70/74/42/628707442.db2.gz BLSKOUOWQLVTKU-UWVGGRQHSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CCC[C@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824925189 628707446 /nfs/dbraw/zinc/70/74/46/628707446.db2.gz BLSKOUOWQLVTKU-UWVGGRQHSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CCCC[C@@H]1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824936983 628708900 /nfs/dbraw/zinc/70/89/00/628708900.db2.gz NVRHNFJRSNLGKD-VHSXEESVSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CCCC[C@@H]1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824936983 628708903 /nfs/dbraw/zinc/70/89/03/628708903.db2.gz NVRHNFJRSNLGKD-VHSXEESVSA-N -1 3 319.800 3.139 20 30 DGEDHM CCC(CC)CN(CCC#N)Cc1cc(-c2nnn[n-]2)cs1 ZINC000825108025 628728553 /nfs/dbraw/zinc/72/85/53/628728553.db2.gz UKAAZHUGWFTJBH-UHFFFAOYSA-N -1 3 318.450 3.080 20 30 DGEDHM CCC(CC)CN(CCC#N)Cc1cc(-c2nn[n-]n2)cs1 ZINC000825108025 628728556 /nfs/dbraw/zinc/72/85/56/628728556.db2.gz UKAAZHUGWFTJBH-UHFFFAOYSA-N -1 3 318.450 3.080 20 30 DGEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCCCC(C)(C)C#N ZINC000825480710 628765954 /nfs/dbraw/zinc/76/59/54/628765954.db2.gz HHVYQOUZGYIULS-UHFFFAOYSA-N -1 3 313.409 3.040 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(OC(F)F)cc1F ZINC000825701101 628787192 /nfs/dbraw/zinc/78/71/92/628787192.db2.gz GWBASBJZEIFGCB-UHFFFAOYSA-N -1 3 309.234 3.255 20 30 DGEDHM CCc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000825705052 628788217 /nfs/dbraw/zinc/78/82/17/628788217.db2.gz VFINSAVDNRKRRB-UHFFFAOYSA-N -1 3 316.752 3.122 20 30 DGEDHM CCc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000825705052 628788218 /nfs/dbraw/zinc/78/82/18/628788218.db2.gz VFINSAVDNRKRRB-UHFFFAOYSA-N -1 3 316.752 3.122 20 30 DGEDHM CCc1ccccc1NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825728050 628791048 /nfs/dbraw/zinc/79/10/48/628791048.db2.gz GPXDUKVQMFOKDX-UHFFFAOYSA-N -1 3 324.363 3.404 20 30 DGEDHM CCc1ccccc1NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825728050 628791051 /nfs/dbraw/zinc/79/10/51/628791051.db2.gz GPXDUKVQMFOKDX-UHFFFAOYSA-N -1 3 324.363 3.404 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826268308 628836074 /nfs/dbraw/zinc/83/60/74/628836074.db2.gz SBMSTRQQHCFBJR-RMKNXTFCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826268308 628836077 /nfs/dbraw/zinc/83/60/77/628836077.db2.gz SBMSTRQQHCFBJR-RMKNXTFCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826288909 628840477 /nfs/dbraw/zinc/84/04/77/628840477.db2.gz BMUFRWYPDRQBPF-HYXAFXHYSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826288909 628840480 /nfs/dbraw/zinc/84/04/80/628840480.db2.gz BMUFRWYPDRQBPF-HYXAFXHYSA-N -1 3 314.345 3.272 20 30 DGEDHM Clc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826352488 628847105 /nfs/dbraw/zinc/84/71/05/628847105.db2.gz CJRJEEVSQYQESS-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM O=C(C=Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401425 628851394 /nfs/dbraw/zinc/85/13/94/628851394.db2.gz YDLLGTSUGJEZRS-QPJJXVBHSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401425 628851395 /nfs/dbraw/zinc/85/13/95/628851395.db2.gz YDLLGTSUGJEZRS-QPJJXVBHSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000826401426 628851514 /nfs/dbraw/zinc/85/15/14/628851514.db2.gz YFGXDTYAAWGCJN-ALCCZGGFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000826401426 628851515 /nfs/dbraw/zinc/85/15/15/628851515.db2.gz YFGXDTYAAWGCJN-ALCCZGGFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475874 628852576 /nfs/dbraw/zinc/85/25/76/628852576.db2.gz UJKXXMFDDOPNHJ-ZROIWOOFSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475874 628852577 /nfs/dbraw/zinc/85/25/77/628852577.db2.gz UJKXXMFDDOPNHJ-ZROIWOOFSA-N -1 3 320.327 3.218 20 30 DGEDHM N#Cc1ccc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)cc1 ZINC000828629432 629076984 /nfs/dbraw/zinc/07/69/84/629076984.db2.gz NNTLRDDHLPFPCZ-UHFFFAOYSA-N -1 3 323.135 3.233 20 30 DGEDHM COc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832225951 629452502 /nfs/dbraw/zinc/45/25/02/629452502.db2.gz FBNUAIHDGVQQTM-YVEFUNNKSA-N -1 3 310.353 3.043 20 30 DGEDHM Cc1cc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000832870773 629524043 /nfs/dbraw/zinc/52/40/43/629524043.db2.gz LPLJWZCDBOBYSM-PXAZEXFGSA-N -1 3 312.344 3.482 20 30 DGEDHM C=CCOc1ccc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)cc1Cl ZINC000833377562 629594803 /nfs/dbraw/zinc/59/48/03/629594803.db2.gz BQWHLQKOBNXMKE-YPMHNXCESA-N -1 3 309.793 3.057 20 30 DGEDHM C[C@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000833541772 629617872 /nfs/dbraw/zinc/61/78/72/629617872.db2.gz SXIBGRKISBSDMU-KBPBESRZSA-N -1 3 324.380 3.261 20 30 DGEDHM C=CCO[N-]C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000837049754 630206830 /nfs/dbraw/zinc/20/68/30/630206830.db2.gz QAQCRWXYGSWYSL-SECBINFHSA-N -1 3 316.170 3.316 20 30 DGEDHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000844661051 630762688 /nfs/dbraw/zinc/76/26/88/630762688.db2.gz XHRJJLNZVBTMKE-OLZOCXBDSA-N -1 3 310.419 3.298 20 30 DGEDHM C[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1ccco1 ZINC000845841230 631198598 /nfs/dbraw/zinc/19/85/98/631198598.db2.gz LUAVMOMYUWVFPT-HIFRSBDPSA-N -1 3 307.349 3.393 20 30 DGEDHM C=C(C)CO[N-]C(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000846533467 631256382 /nfs/dbraw/zinc/25/63/82/631256382.db2.gz JDJUUKDJGSMDLT-MRXNPFEDSA-N -1 3 305.418 3.422 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(Cl)cc1Br ZINC000846539536 631257072 /nfs/dbraw/zinc/25/70/72/631257072.db2.gz ZHLSYRQIHTTYRJ-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ccc(Br)s1 ZINC000846542412 631258075 /nfs/dbraw/zinc/25/80/75/631258075.db2.gz AZNLSZPUIBDUQT-VIFPVBQESA-N -1 3 318.236 3.456 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccc(Cl)cc1Cl ZINC000846551042 631258918 /nfs/dbraw/zinc/25/89/18/631258918.db2.gz SJRGBWVCOURMFA-SECBINFHSA-N -1 3 304.173 3.385 20 30 DGEDHM CCOC(=O)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000849171151 631852409 /nfs/dbraw/zinc/85/24/09/631852409.db2.gz YUFUPNPIYCQTHF-MBCCIFHSSA-N -1 3 323.698 3.349 20 30 DGEDHM N#CC[C@@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccccc1 ZINC000793820691 661059215 /nfs/dbraw/zinc/05/92/15/661059215.db2.gz QDCZDJPXOHYKEJ-INIZCTEOSA-N -1 3 312.344 3.461 20 30 DGEDHM CC(C)(C)c1nc(C#N)c(N=NCc2c(F)ccc([O-])c2F)o1 ZINC000794503308 661088089 /nfs/dbraw/zinc/08/80/89/661088089.db2.gz XJQXDEVKHQGBEN-UHFFFAOYSA-N -1 3 320.299 3.274 20 30 DGEDHM CCOc1cc(CN=Nc2cccc(F)n2)cc(Cl)c1[O-] ZINC000795006061 661120947 /nfs/dbraw/zinc/12/09/47/661120947.db2.gz CNCFHIKQKJCHPJ-UHFFFAOYSA-N -1 3 309.728 3.424 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccccc2OC)c(OC)cc1[O-] ZINC000254941562 655547188 /nfs/dbraw/zinc/54/71/88/655547188.db2.gz SMQCBTJOUYSKTL-HJWRWDBZSA-N -1 3 314.337 3.314 20 30 DGEDHM Cc1ccnc(-c2ccc(N=Cc3ccc(O)c([O-])c3O)cc2)n1 ZINC000255137719 655609149 /nfs/dbraw/zinc/60/91/49/655609149.db2.gz HNMDYVQAAXDIMA-UHFFFAOYSA-N -1 3 321.336 3.319 20 30 DGEDHM CSCCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255340810 655703890 /nfs/dbraw/zinc/70/38/90/655703890.db2.gz NHPQXGODQHZFGE-UHFFFAOYSA-N -1 3 303.383 3.460 20 30 DGEDHM CCOc1cc(/C=C\C(=O)c2cn(C)nc2C)cc(Cl)c1[O-] ZINC000255473799 655758376 /nfs/dbraw/zinc/75/83/76/655758376.db2.gz WGDMOXHSFJLTAL-WAYWQWQTSA-N -1 3 320.776 3.382 20 30 DGEDHM C=C(C)c1cccc(NC([O-])=NOC(C)(C)C(=O)OCC)c1 ZINC000934884203 655812059 /nfs/dbraw/zinc/81/20/59/655812059.db2.gz NYEXURVIAQKFMG-UHFFFAOYSA-N -1 3 306.362 3.115 20 30 DGEDHM C=C(C)c1cccc(NC(=O)[N-]OC(C)(C)C(=O)OCC)c1 ZINC000934884203 655812060 /nfs/dbraw/zinc/81/20/60/655812060.db2.gz NYEXURVIAQKFMG-UHFFFAOYSA-N -1 3 306.362 3.115 20 30 DGEDHM C#C[C@@H](CCC)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000935625299 655944628 /nfs/dbraw/zinc/94/46/28/655944628.db2.gz XOVRYRYBSILJMD-NSHDSACASA-N -1 3 300.736 3.053 20 30 DGEDHM CN(C)c1ccc(Cl)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255911725 655965953 /nfs/dbraw/zinc/96/59/53/655965953.db2.gz OXDRDFIPFHDDAF-UHFFFAOYSA-N -1 3 306.749 3.273 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCCc3ccccc3C2=O)c1 ZINC000811186626 661231164 /nfs/dbraw/zinc/23/11/64/661231164.db2.gz RUPWCJCQNQCYTD-QGZVFWFLSA-N -1 3 321.332 3.008 20 30 DGEDHM C[C@](O)(C/N=C/c1cc(Br)ccc1[O-])c1ccco1 ZINC000304397172 657631714 /nfs/dbraw/zinc/63/17/14/657631714.db2.gz VRQHLIVSXIUXRM-BRSWLGOBSA-N -1 3 324.174 3.074 20 30 DGEDHM C=CCCCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000310863000 658284236 /nfs/dbraw/zinc/28/42/36/658284236.db2.gz DBGWBJFCGQEYLI-UHFFFAOYSA-N -1 3 309.218 3.023 20 30 DGEDHM CCN(C)c1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cn1 ZINC000191229292 658415167 /nfs/dbraw/zinc/41/51/67/658415167.db2.gz ITWRLHDZPKDBMF-VMPITWQZSA-N -1 3 312.369 3.148 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cscc1C ZINC000175111437 659916198 /nfs/dbraw/zinc/91/61/98/659916198.db2.gz FXTQQICIEVTGSR-LLVKDONJSA-N -1 3 314.366 3.026 20 30 DGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1 ZINC000175107951 659916237 /nfs/dbraw/zinc/91/62/37/659916237.db2.gz HLNYEYSDMCUNHW-OAHLLOKOSA-N -1 3 310.353 3.420 20 30 DGEDHM C[C@H](CN(C)Cc1cc(C#N)cs1)C(=O)c1ccc([O-])cc1 ZINC000933771590 661657093 /nfs/dbraw/zinc/65/70/93/661657093.db2.gz YRBCPUGVVKBDLU-GFCCVEGCSA-N -1 3 314.410 3.276 20 30 DGEDHM CC(=O)c1cc(F)cc(CN(C)Cc2cc(C#N)cs2)c1[O-] ZINC000933777180 661657473 /nfs/dbraw/zinc/65/74/73/661657473.db2.gz HTQYXXVDFVEYRQ-UHFFFAOYSA-N -1 3 318.373 3.299 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)CCC#N)n[n-]2)o1 ZINC000195041027 662176978 /nfs/dbraw/zinc/17/69/78/662176978.db2.gz OVORCZBSNSNNHX-UHFFFAOYSA-N -1 3 301.346 3.465 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCC(C)(C)CCC#N)[n-]n2)o1 ZINC000195041027 662176981 /nfs/dbraw/zinc/17/69/81/662176981.db2.gz OVORCZBSNSNNHX-UHFFFAOYSA-N -1 3 301.346 3.465 20 30 DGEDHM N#CCOc1cccc(CC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000089773840 662247734 /nfs/dbraw/zinc/24/77/34/662247734.db2.gz FQWJQGGYMIFDTI-UHFFFAOYSA-N -1 3 316.744 3.129 20 30 DGEDHM N#CCCN(Cc1ccccn1)Cc1cc(Cl)ccc1[O-] ZINC000093100484 662344184 /nfs/dbraw/zinc/34/41/84/662344184.db2.gz GIXNZCNNAHGTOA-UHFFFAOYSA-N -1 3 301.777 3.356 20 30 DGEDHM Cc1cc(F)c(C#N)c(Sc2cccc(-c3nnn[n-]3)c2)c1 ZINC001580933181 1192046612 /nfs/dbraw/zinc/04/66/12/1192046612.db2.gz IPMXLZUAWWWHJI-UHFFFAOYSA-N -1 3 311.345 3.337 20 30 DGEDHM Cc1cc(F)c(C#N)c(Sc2cccc(-c3nn[n-]n3)c2)c1 ZINC001580933181 1192046616 /nfs/dbraw/zinc/04/66/16/1192046616.db2.gz IPMXLZUAWWWHJI-UHFFFAOYSA-N -1 3 311.345 3.337 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1cc(Br)ccc1Cl ZINC001583412031 1192145840 /nfs/dbraw/zinc/14/58/40/1192145840.db2.gz BNYFZNDXZBZSJH-QMMMGPOBSA-N -1 3 318.598 3.267 20 30 DGEDHM C#Cc1ccc(NCc2csc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001588374632 1192446012 /nfs/dbraw/zinc/44/60/12/1192446012.db2.gz FKZOYKSDXJYKEF-UHFFFAOYSA-N -1 3 315.789 3.175 20 30 DGEDHM C=C(C)CCC(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001588419963 1192447211 /nfs/dbraw/zinc/44/72/11/1192447211.db2.gz WXSAAMINRDESGE-UHFFFAOYSA-N -1 3 300.362 3.054 20 30 DGEDHM C=C1CCC(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001588462171 1192447260 /nfs/dbraw/zinc/44/72/60/1192447260.db2.gz GRWLOOHNIKNIJB-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=C1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001588462171 1192447263 /nfs/dbraw/zinc/44/72/63/1192447263.db2.gz GRWLOOHNIKNIJB-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=C(C)CCNc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588424887 1192447441 /nfs/dbraw/zinc/44/74/41/1192447441.db2.gz PGTPWYUTWOMQLF-UHFFFAOYSA-N -1 3 313.283 3.143 20 30 DGEDHM C=C(C)CCNc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588424887 1192447443 /nfs/dbraw/zinc/44/74/43/1192447443.db2.gz PGTPWYUTWOMQLF-UHFFFAOYSA-N -1 3 313.283 3.143 20 30 DGEDHM C=C(C)c1cccc(Nc2nnc(C)c(C)c2-c2nnn[n-]2)c1 ZINC001588442863 1192447486 /nfs/dbraw/zinc/44/74/86/1192447486.db2.gz SCDHWFJQOMTTMK-UHFFFAOYSA-N -1 3 307.361 3.050 20 30 DGEDHM C=C(C)c1cccc(Nc2nnc(C)c(C)c2-c2nn[n-]n2)c1 ZINC001588442863 1192447489 /nfs/dbraw/zinc/44/74/89/1192447489.db2.gz SCDHWFJQOMTTMK-UHFFFAOYSA-N -1 3 307.361 3.050 20 30 DGEDHM C=C(C)CCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588424981 1192448045 /nfs/dbraw/zinc/44/80/45/1192448045.db2.gz SOGNGAQBWNRQBG-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM C=C(C)CCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588424981 1192448048 /nfs/dbraw/zinc/44/80/48/1192448048.db2.gz SOGNGAQBWNRQBG-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM C=CC[C@@H]1CCCC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588560579 1192450176 /nfs/dbraw/zinc/45/01/76/1192450176.db2.gz SLUPZYYPBZZKOI-MFKMUULPSA-N -1 3 318.812 3.462 20 30 DGEDHM C=CC[C@@H]1CCCC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588560579 1192450179 /nfs/dbraw/zinc/45/01/79/1192450179.db2.gz SLUPZYYPBZZKOI-MFKMUULPSA-N -1 3 318.812 3.462 20 30 DGEDHM C=CCCC(C)(C)CNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588576548 1192450497 /nfs/dbraw/zinc/45/04/97/1192450497.db2.gz URIBSMPKWFXAGK-UHFFFAOYSA-N -1 3 320.422 3.042 20 30 DGEDHM C=CCCC(C)(C)CNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588576548 1192450500 /nfs/dbraw/zinc/45/05/00/1192450500.db2.gz URIBSMPKWFXAGK-UHFFFAOYSA-N -1 3 320.422 3.042 20 30 DGEDHM C=CCC(C)(C)c1noc(C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC001588539253 1192450517 /nfs/dbraw/zinc/45/05/17/1192450517.db2.gz DHBRSALTAFTWOM-MDZDMXLPSA-N -1 3 322.372 3.274 20 30 DGEDHM C=CCC(C)(C)c1noc(C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC001588539253 1192450519 /nfs/dbraw/zinc/45/05/19/1192450519.db2.gz DHBRSALTAFTWOM-MDZDMXLPSA-N -1 3 322.372 3.274 20 30 DGEDHM CC(=NNc1cc(C)ccc1C)c1ccccc1-c1nnn[n-]1 ZINC001588777386 1192453698 /nfs/dbraw/zinc/45/36/98/1192453698.db2.gz RCZMLUUEAUJHGN-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(=NNc1cc(C)ccc1C)c1ccccc1-c1nn[n-]n1 ZINC001588777386 1192453703 /nfs/dbraw/zinc/45/37/03/1192453703.db2.gz RCZMLUUEAUJHGN-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(Cc1ccc(F)cc1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001589896529 1192476614 /nfs/dbraw/zinc/47/66/14/1192476614.db2.gz HPPRBTBJJQCDFT-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM CC(Cc1ccc(F)cc1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589896529 1192476617 /nfs/dbraw/zinc/47/66/17/1192476617.db2.gz HPPRBTBJJQCDFT-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM CCCCCCCCCNC(=O)c1sccc1-c1nnn[n-]1 ZINC001590592386 1192527696 /nfs/dbraw/zinc/52/76/96/1192527696.db2.gz PMSIDGKWTRJGLF-UHFFFAOYSA-N -1 3 321.450 3.409 20 30 DGEDHM CCCCCCCCCNC(=O)c1sccc1-c1nn[n-]n1 ZINC001590592386 1192527698 /nfs/dbraw/zinc/52/76/98/1192527698.db2.gz PMSIDGKWTRJGLF-UHFFFAOYSA-N -1 3 321.450 3.409 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001591576327 1192566553 /nfs/dbraw/zinc/56/65/53/1192566553.db2.gz JBUNZLBRBCOVRM-HJWRWDBZSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001591576327 1192566557 /nfs/dbraw/zinc/56/65/57/1192566557.db2.gz JBUNZLBRBCOVRM-HJWRWDBZSA-N -1 3 320.352 3.080 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001591706984 1192570069 /nfs/dbraw/zinc/57/00/69/1192570069.db2.gz OMISQXVLHVOCDL-NYYWCZLTSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591706984 1192570071 /nfs/dbraw/zinc/57/00/71/1192570071.db2.gz OMISQXVLHVOCDL-NYYWCZLTSA-N -1 3 322.393 3.485 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)c(C)c1)C2=O ZINC001591960083 1192583575 /nfs/dbraw/zinc/58/35/75/1192583575.db2.gz ZNYBUQVCNGWGBM-NTEUORMPSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)c(C)c1)C2=O ZINC001591960083 1192583579 /nfs/dbraw/zinc/58/35/79/1192583579.db2.gz ZNYBUQVCNGWGBM-NTEUORMPSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc([C@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001592135308 1192595987 /nfs/dbraw/zinc/59/59/87/1192595987.db2.gz SBYULEDFOVUXCW-CYBMUJFWSA-N -1 3 318.384 3.262 20 30 DGEDHM Cc1ccc([C@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001592135308 1192595988 /nfs/dbraw/zinc/59/59/88/1192595988.db2.gz SBYULEDFOVUXCW-CYBMUJFWSA-N -1 3 318.384 3.262 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001592172548 1192597994 /nfs/dbraw/zinc/59/79/94/1192597994.db2.gz BSRRITUODNGVTN-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001592172548 1192597997 /nfs/dbraw/zinc/59/79/97/1192597997.db2.gz BSRRITUODNGVTN-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(S[C@H](C#N)Cc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001592196610 1192601762 /nfs/dbraw/zinc/60/17/62/1192601762.db2.gz GPZANXGTYVSUSW-AWEZNQCLSA-N -1 3 321.409 3.402 20 30 DGEDHM Cc1ccc(S[C@H](C#N)Cc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001592196610 1192601767 /nfs/dbraw/zinc/60/17/67/1192601767.db2.gz GPZANXGTYVSUSW-AWEZNQCLSA-N -1 3 321.409 3.402 20 30 DGEDHM Clc1cc(N=NC2CCC23CCC3)ccc1-c1nnn[n-]1 ZINC001592527038 1192612860 /nfs/dbraw/zinc/61/28/60/1192612860.db2.gz ZFBBIQMTYFNGGK-UHFFFAOYSA-N -1 3 302.769 3.252 20 30 DGEDHM Clc1cc(N=NC2CCC23CCC3)ccc1-c1nn[n-]n1 ZINC001592527038 1192612863 /nfs/dbraw/zinc/61/28/63/1192612863.db2.gz ZFBBIQMTYFNGGK-UHFFFAOYSA-N -1 3 302.769 3.252 20 30 DGEDHM Fc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001592638456 1192621070 /nfs/dbraw/zinc/62/10/70/1192621070.db2.gz UNIWNSQSSOVKGU-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#CCCSc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001592678501 1192626099 /nfs/dbraw/zinc/62/60/99/1192626099.db2.gz XYQGLNJPNLNFBI-UHFFFAOYSA-N -1 3 317.271 3.030 20 30 DGEDHM N#CCCSc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001592678501 1192626105 /nfs/dbraw/zinc/62/61/05/1192626105.db2.gz XYQGLNJPNLNFBI-UHFFFAOYSA-N -1 3 317.271 3.030 20 30 DGEDHM O=C(C=Cc1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001592791554 1192627926 /nfs/dbraw/zinc/62/79/26/1192627926.db2.gz NLCFNSRPCFVHKJ-DAXSKMNVSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001592791554 1192627936 /nfs/dbraw/zinc/62/79/36/1192627936.db2.gz NLCFNSRPCFVHKJ-DAXSKMNVSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593379060 1192630673 /nfs/dbraw/zinc/63/06/73/1192630673.db2.gz AJLVWBYIOCQBBP-XYOKQWHBSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593379060 1192630674 /nfs/dbraw/zinc/63/06/74/1192630674.db2.gz AJLVWBYIOCQBBP-XYOKQWHBSA-N -1 3 322.755 3.343 20 30 DGEDHM CCCCCCCCC(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001595603180 1192664700 /nfs/dbraw/zinc/66/47/00/1192664700.db2.gz QGAAOMDXFQOTJO-UHFFFAOYSA-N -1 3 305.422 3.426 20 30 DGEDHM C=CCn1cc2ccc(NC(=O)c3cc(C)ccc3[O-])cc2n1 ZINC001597381252 1192730972 /nfs/dbraw/zinc/73/09/72/1192730972.db2.gz PIMBFGDHOWTXQC-UHFFFAOYSA-N -1 3 307.353 3.489 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2[C@@H](C)CCC[C@@H]2C)n1 ZINC001163539827 1178049427 /nfs/dbraw/zinc/04/94/27/1178049427.db2.gz DDUSMBSSQQANTK-XOBMQPGPSA-N -1 3 314.842 3.427 20 30 DGEDHM N#Cc1ccc(NC(=S)Nc2ncc([O-])cc2Cl)cc1 ZINC001245887924 1178078456 /nfs/dbraw/zinc/07/84/56/1178078456.db2.gz MDUWBSVGWXLBLK-UHFFFAOYSA-N -1 3 304.762 3.121 20 30 DGEDHM N#CCCC[C@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1 ZINC001601064789 1192915765 /nfs/dbraw/zinc/91/57/65/1192915765.db2.gz JMMNXXFKPFMWRF-INIZCTEOSA-N -1 3 309.369 3.305 20 30 DGEDHM N#C[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001601080064 1192916856 /nfs/dbraw/zinc/91/68/56/1192916856.db2.gz UXZXGIDYGXUASY-QWHCGFSZSA-N -1 3 310.353 3.427 20 30 DGEDHM CC(C)n1cccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001341803449 1179064234 /nfs/dbraw/zinc/06/42/34/1179064234.db2.gz YBGUFWTVTHKELH-ZDUSSCGKSA-N -1 3 319.368 3.084 20 30 DGEDHM Cc1cccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC001344543088 1179448974 /nfs/dbraw/zinc/44/89/74/1179448974.db2.gz QWPMQPLZHHGBRB-NSHDSACASA-N -1 3 313.744 3.005 20 30 DGEDHM C#Cc1ccc(NCc2ccc(-c3nnn[n-]3)c(C)c2)c(Cl)c1 ZINC001602741551 1192995624 /nfs/dbraw/zinc/99/56/24/1192995624.db2.gz NJSILUCAJZJTFL-UHFFFAOYSA-N -1 3 323.787 3.422 20 30 DGEDHM C#Cc1ccc(NCc2ccc(-c3nn[n-]n3)c(C)c2)c(Cl)c1 ZINC001602741551 1192995630 /nfs/dbraw/zinc/99/56/30/1192995630.db2.gz NJSILUCAJZJTFL-UHFFFAOYSA-N -1 3 323.787 3.422 20 30 DGEDHM C=C(Cl)CSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001602770450 1192996907 /nfs/dbraw/zinc/99/69/07/1192996907.db2.gz LWYYOUKBISFEJU-UHFFFAOYSA-N -1 3 310.810 3.121 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602795952 1192998087 /nfs/dbraw/zinc/99/80/87/1192998087.db2.gz XIZFNTVUFGJZMK-QGZVFWFLSA-N -1 3 311.389 3.285 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602795952 1192998089 /nfs/dbraw/zinc/99/80/89/1192998089.db2.gz XIZFNTVUFGJZMK-QGZVFWFLSA-N -1 3 311.389 3.285 20 30 DGEDHM C=CCCCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001602874952 1193001314 /nfs/dbraw/zinc/00/13/14/1193001314.db2.gz LOUZFDOXLSHDNV-INIZCTEOSA-N -1 3 322.836 3.050 20 30 DGEDHM C[C@@H](CN(Cc1cc(C#N)cs1)Cc1ccccc1)C(=O)[O-] ZINC001604165477 1193056052 /nfs/dbraw/zinc/05/60/52/1193056052.db2.gz FQWXZNKJUXNWRS-ZDUSSCGKSA-N -1 3 314.410 3.343 20 30 DGEDHM C[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1cccc(C#N)c1 ZINC001604322831 1193064450 /nfs/dbraw/zinc/06/44/50/1193064450.db2.gz QBCJHDAQLJDWGU-RYUDHWBXSA-N -1 3 310.353 3.374 20 30 DGEDHM C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604322830 1193064656 /nfs/dbraw/zinc/06/46/56/1193064656.db2.gz QBCJHDAQLJDWGU-NWDGAFQWSA-N -1 3 310.353 3.374 20 30 DGEDHM C#CCN(Cc1nc(C)cc(=O)[n-]1)[C@H]1CCCc2ccccc21 ZINC001473826018 1181581261 /nfs/dbraw/zinc/58/12/61/1181581261.db2.gz JBMJBTJZTHQVAC-KRWDZBQOSA-N -1 3 307.397 3.003 20 30 DGEDHM C=CCn1cc(C(=O)[N-]c2cc(Cl)ccc2SC)nn1 ZINC001434891024 1181776802 /nfs/dbraw/zinc/77/68/02/1181776802.db2.gz LNCUGQDAFMWZDD-UHFFFAOYSA-N -1 3 308.794 3.092 20 30 DGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)cc1 ZINC001435240128 1181798111 /nfs/dbraw/zinc/79/81/11/1181798111.db2.gz GDOSBJSLEJPNFM-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM CSc1ccccc1C(C)=NNc1cccc(-c2nnn[n-]2)c1 ZINC001605389813 1193147123 /nfs/dbraw/zinc/14/71/23/1193147123.db2.gz WGAQPRZIZHLPOL-UHFFFAOYSA-N -1 3 324.413 3.425 20 30 DGEDHM CSc1ccccc1C(C)=NNc1cccc(-c2nn[n-]n2)c1 ZINC001605389813 1193147127 /nfs/dbraw/zinc/14/71/27/1193147127.db2.gz WGAQPRZIZHLPOL-UHFFFAOYSA-N -1 3 324.413 3.425 20 30 DGEDHM Nc1cccnc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457992210 1182489072 /nfs/dbraw/zinc/48/90/72/1182489072.db2.gz CNIOINQOZSQSNG-UHFFFAOYSA-N -1 3 312.156 3.002 20 30 DGEDHM CO[C@H](CC(=O)N([O-])CCCCc1ccccc1)C(F)(F)F ZINC001458006766 1182489632 /nfs/dbraw/zinc/48/96/32/1182489632.db2.gz ALZKNPQKHUEAEC-CYBMUJFWSA-N -1 3 319.323 3.195 20 30 DGEDHM CO[C@@H](C(=O)N([O-])CCCCc1ccccc1)C1CCCC1 ZINC001458007525 1182490484 /nfs/dbraw/zinc/49/04/84/1182490484.db2.gz JMMSTMJVVYJMIF-QGZVFWFLSA-N -1 3 305.418 3.432 20 30 DGEDHM CCS[C@@H]1CCCC[C@H]1NCc1cccc(C(=O)[O-])c1C#N ZINC001605741116 1193168538 /nfs/dbraw/zinc/16/85/38/1193168538.db2.gz KTRXDDZMKSFMEK-HZPDHXFCSA-N -1 3 318.442 3.410 20 30 DGEDHM C[C@H](c1ccc(C#N)cc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001460719142 1182712997 /nfs/dbraw/zinc/71/29/97/1182712997.db2.gz DXVPKHYSUPHETE-LLVKDONJSA-N -1 3 306.369 3.008 20 30 DGEDHM Cc1ccc(C[C@@H](C#N)Sc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001605838328 1193179012 /nfs/dbraw/zinc/17/90/12/1193179012.db2.gz DBFVNTXADVEPPQ-INIZCTEOSA-N -1 3 321.409 3.402 20 30 DGEDHM Cc1ccc(C[C@@H](C#N)Sc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001605838328 1193179015 /nfs/dbraw/zinc/17/90/15/1193179015.db2.gz DBFVNTXADVEPPQ-INIZCTEOSA-N -1 3 321.409 3.402 20 30 DGEDHM CN(Cc1cc(F)cc(F)c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001606147147 1193191594 /nfs/dbraw/zinc/19/15/94/1193191594.db2.gz NEFYKPZRDNZBCO-MRXNPFEDSA-N -1 3 316.307 3.094 20 30 DGEDHM C=CCCC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001463649537 1183038259 /nfs/dbraw/zinc/03/82/59/1183038259.db2.gz LIEAKSKIZYKPKJ-UHFFFAOYSA-N -1 3 308.428 3.055 20 30 DGEDHM C=C(C[N-]S(=O)(=O)c1cc(C)cnc1Cl)c1ccccc1 ZINC001463821690 1183049406 /nfs/dbraw/zinc/04/94/06/1183049406.db2.gz WOFORZCNPQJGTB-UHFFFAOYSA-N -1 3 322.817 3.035 20 30 DGEDHM C=C(CC)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001463870273 1183054040 /nfs/dbraw/zinc/05/40/40/1183054040.db2.gz DIXJCIVNLBMJPC-UHFFFAOYSA-N -1 3 308.428 3.055 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1ccc(F)c(F)c1 ZINC001606379748 1193200024 /nfs/dbraw/zinc/20/00/24/1193200024.db2.gz AGEPLECGFOPTKB-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1ccc(F)c(F)c1 ZINC001606379748 1193200029 /nfs/dbraw/zinc/20/00/29/1193200029.db2.gz AGEPLECGFOPTKB-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM CSc1ccc([O-])c(C(=O)NCc2cc(C#N)ccc2F)c1 ZINC001465428935 1183148764 /nfs/dbraw/zinc/14/87/64/1183148764.db2.gz ZAJYMAXBCVYOQR-UHFFFAOYSA-N -1 3 316.357 3.055 20 30 DGEDHM C#C[C@@H](CC)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001467771267 1183287544 /nfs/dbraw/zinc/28/75/44/1183287544.db2.gz QTUMOOHUNNNXJU-KRWDZBQOSA-N -1 3 307.393 3.319 20 30 DGEDHM N#Cc1ccc2nc(NC(=O)c3ccc([O-])c(Cl)c3)[nH]c2c1 ZINC001470718746 1183507510 /nfs/dbraw/zinc/50/75/10/1183507510.db2.gz CORWEMSZSBPOHZ-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM COc1cccc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)c1[O-] ZINC001471552390 1183572983 /nfs/dbraw/zinc/57/29/83/1183572983.db2.gz KMDBXGCFHNREAU-UHFFFAOYSA-N -1 3 308.337 3.402 20 30 DGEDHM CCCCN([O-])C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001472620720 1183656750 /nfs/dbraw/zinc/65/67/50/1183656750.db2.gz NRNJBTPRDJHDKH-UHFFFAOYSA-N -1 3 317.364 3.132 20 30 DGEDHM CCN(CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001472617781 1183657289 /nfs/dbraw/zinc/65/72/89/1183657289.db2.gz PYFSLJQRIJWARE-UHFFFAOYSA-N -1 3 317.216 3.196 20 30 DGEDHM O=C(c1cccc(O)c1[O-])N(O)Cc1cccc2ccccc21 ZINC001472623058 1183658377 /nfs/dbraw/zinc/65/83/77/1183658377.db2.gz VIMXNUOCMUMTLK-UHFFFAOYSA-N -1 3 309.321 3.283 20 30 DGEDHM N#CCC1(CN[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001608179256 1193281903 /nfs/dbraw/zinc/28/19/03/1193281903.db2.gz WDPIXOXRAUNVJF-LBPRGKRZSA-N -1 3 313.184 3.403 20 30 DGEDHM C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)Cc1cccs1 ZINC001609113725 1193325507 /nfs/dbraw/zinc/32/55/07/1193325507.db2.gz DTATUXOTPMSBNJ-NSHDSACASA-N -1 3 324.413 3.091 20 30 DGEDHM C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)Cc1cccs1 ZINC001609113725 1193325508 /nfs/dbraw/zinc/32/55/08/1193325508.db2.gz DTATUXOTPMSBNJ-NSHDSACASA-N -1 3 324.413 3.091 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609152575 1193326321 /nfs/dbraw/zinc/32/63/21/1193326321.db2.gz GPMJSMNXUBJJKF-HPUUJOOBSA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609152575 1193326322 /nfs/dbraw/zinc/32/63/22/1193326322.db2.gz GPMJSMNXUBJJKF-HPUUJOOBSA-N -1 3 302.337 3.250 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001609245121 1193332331 /nfs/dbraw/zinc/33/23/31/1193332331.db2.gz ZZASODSUSVCFSX-DHZHZOJOSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001609245121 1193332338 /nfs/dbraw/zinc/33/23/38/1193332338.db2.gz ZZASODSUSVCFSX-DHZHZOJOSA-N -1 3 320.352 3.162 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)ccc1COc1c(C)cc(C#N)cc1C ZINC001609388297 1193335626 /nfs/dbraw/zinc/33/56/26/1193335626.db2.gz MDWMXHUDSLSAHY-UHFFFAOYSA-N -1 3 319.368 3.243 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)ccc1COc1c(C)cc(C#N)cc1C ZINC001609388297 1193335629 /nfs/dbraw/zinc/33/56/29/1193335629.db2.gz MDWMXHUDSLSAHY-UHFFFAOYSA-N -1 3 319.368 3.243 20 30 DGEDHM Cc1cc(C)c(C#N)c(SCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001609397037 1193336137 /nfs/dbraw/zinc/33/61/37/1193336137.db2.gz AIBVGASMTDIDAY-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C)c(C#N)c(SCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001609397037 1193336141 /nfs/dbraw/zinc/33/61/41/1193336141.db2.gz AIBVGASMTDIDAY-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC001609417367 1193337516 /nfs/dbraw/zinc/33/75/16/1193337516.db2.gz LFDOLJFMPKSORM-CLFYSBASSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC001609417367 1193337517 /nfs/dbraw/zinc/33/75/17/1193337517.db2.gz LFDOLJFMPKSORM-CLFYSBASSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C)c1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609430866 1193338537 /nfs/dbraw/zinc/33/85/37/1193338537.db2.gz YXQGDNXGOJTCCA-UHFFFAOYSA-N -1 3 318.384 3.010 20 30 DGEDHM Cc1cccc(C)c1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609430866 1193338540 /nfs/dbraw/zinc/33/85/40/1193338540.db2.gz YXQGDNXGOJTCCA-UHFFFAOYSA-N -1 3 318.384 3.010 20 30 DGEDHM COc1cc(C(=O)Nc2cc(Cl)cc(C)c2[O-])ccc1C#N ZINC001546343551 1186691903 /nfs/dbraw/zinc/69/19/03/1186691903.db2.gz XBQVPOOUUBJYCW-UHFFFAOYSA-N -1 3 316.744 3.487 20 30 DGEDHM CCCCN([O-])C(=O)c1nnn(-c2cccc(Cl)c2)c1CC ZINC001611657900 1193439104 /nfs/dbraw/zinc/43/91/04/1193439104.db2.gz MDPHKUUNHGHQMO-UHFFFAOYSA-N -1 3 322.796 3.115 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC001611658057 1193439205 /nfs/dbraw/zinc/43/92/05/1193439205.db2.gz SRDVDKLYKUJHMM-CYBMUJFWSA-N -1 3 312.207 3.497 20 30 DGEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1ccc(C(C)(C)C)cn1 ZINC001517046240 1186799679 /nfs/dbraw/zinc/79/96/79/1186799679.db2.gz LYTCAHNGTRMFRT-NSHDSACASA-N -1 3 316.792 3.256 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2nc(C(F)(F)F)co2)c(F)c1 ZINC001523562529 1187172947 /nfs/dbraw/zinc/17/29/47/1187172947.db2.gz AFWUFKWZNGVYSL-UHFFFAOYSA-N -1 3 317.173 3.096 20 30 DGEDHM CC(C)(C)c1nnc([N-]C(=O)c2ccc(C#N)c(Cl)n2)s1 ZINC001527829549 1187451982 /nfs/dbraw/zinc/45/19/82/1187451982.db2.gz PHCBVAQPSVGTPB-UHFFFAOYSA-N -1 3 321.793 3.008 20 30 DGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)C(C)(C)C ZINC001528116199 1187470473 /nfs/dbraw/zinc/47/04/73/1187470473.db2.gz WDABIPFDVCBIJZ-NSHDSACASA-N -1 3 314.763 3.299 20 30 DGEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1ccc(F)c(F)c1 ZINC001540704286 1188255653 /nfs/dbraw/zinc/25/56/53/1188255653.db2.gz GWBZMVZOYUFUGY-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM C#C[C@@H](NC(=O)c1c([O-])cccc1OC)c1ccc(Cl)cc1 ZINC001556907369 1189028061 /nfs/dbraw/zinc/02/80/61/1189028061.db2.gz NXUUDVJIDSKIPT-CYBMUJFWSA-N -1 3 315.756 3.159 20 30 DGEDHM C#C[C@H](NC(=O)c1c([O-])cccc1OC)c1ccc(Cl)cc1 ZINC001556907370 1189028094 /nfs/dbraw/zinc/02/80/94/1189028094.db2.gz NXUUDVJIDSKIPT-ZDUSSCGKSA-N -1 3 315.756 3.159 20 30 DGEDHM C#Cc1ccc(NC(=O)c2cc(OC)ccc2[O-])c(Cl)c1 ZINC001558643804 1189140055 /nfs/dbraw/zinc/14/00/55/1189140055.db2.gz IAJJKKSUWMALPC-UHFFFAOYSA-N -1 3 301.729 3.288 20 30 DGEDHM CCNc1nc(C(=O)N([O-])CCCCc2ccccc2)cs1 ZINC001559033903 1189163537 /nfs/dbraw/zinc/16/35/37/1189163537.db2.gz DWWVKQXSIJSXHD-UHFFFAOYSA-N -1 3 319.430 3.429 20 30 DGEDHM CCCCN([O-])C(=O)CCC(C)(C)NC(=O)OC(C)(C)C ZINC001559035420 1189164815 /nfs/dbraw/zinc/16/48/15/1189164815.db2.gz QDGNSBGZIVQSQL-UHFFFAOYSA-N -1 3 302.415 3.088 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C)n1ccc2ccccc2c1=O ZINC001559034890 1189164865 /nfs/dbraw/zinc/16/48/65/1189164865.db2.gz UANJUFCLYJRMSQ-CQSZACIVSA-N -1 3 316.401 3.361 20 30 DGEDHM C#CCN(Cc1ccc(F)cc1)Cc1cc(F)cc(F)c1[O-] ZINC001560657361 1189355216 /nfs/dbraw/zinc/35/52/16/1189355216.db2.gz KMMFKAKLHDRCFL-UHFFFAOYSA-N -1 3 305.299 3.445 20 30 DGEDHM C[C@H](NCc1nc(=O)c2sccc2[n-]1)c1cccc(C#N)c1 ZINC001620572710 1193780243 /nfs/dbraw/zinc/78/02/43/1193780243.db2.gz NMPUURZHQCGQBP-JTQLQIEISA-N -1 3 310.382 3.119 20 30 DGEDHM C=CCO[C@H]1CCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001623871011 1193970118 /nfs/dbraw/zinc/97/01/18/1193970118.db2.gz IEFKONXKLSWXKQ-LBPRGKRZSA-N -1 3 303.383 3.024 20 30 DGEDHM Cc1ccc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)c([O-])c1C ZINC001628455482 1194179755 /nfs/dbraw/zinc/17/97/55/1194179755.db2.gz GOSOJLDLVOIKOJ-UHFFFAOYSA-N -1 3 320.352 3.318 20 30 DGEDHM C#CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC001632034381 1194368521 /nfs/dbraw/zinc/36/85/21/1194368521.db2.gz CDMBZKOVDZYQMP-QGZVFWFLSA-N -1 3 307.349 3.089 20 30 DGEDHM N#CCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001632266387 1194379870 /nfs/dbraw/zinc/37/98/70/1194379870.db2.gz HUDJBEXYEYMFKD-INIZCTEOSA-N -1 3 312.344 3.235 20 30 DGEDHM N#Cc1c(F)cc(C(=O)N2CCCc3cccc([O-])c32)cc1F ZINC001633136560 1194423755 /nfs/dbraw/zinc/42/37/55/1194423755.db2.gz 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C=CCn1c(=O)[n-]nc1SCc1nccc(Cl)c1Cl ZINC001652723140 1195640626 /nfs/dbraw/zinc/64/06/26/1195640626.db2.gz FHOUATXQCCTDKM-UHFFFAOYSA-N -1 3 317.201 3.164 20 30 DGEDHM Cn1nc2ccccc2c1C(=O)N([O-])Cc1ccccc1Cl ZINC001654813762 1195842836 /nfs/dbraw/zinc/84/28/36/1195842836.db2.gz BFBFNGDHVGITSM-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C)NC(=O)CC1CCCCC1 ZINC001654819410 1195844041 /nfs/dbraw/zinc/84/40/41/1195844041.db2.gz BGKUIOMPESHUPY-CQSZACIVSA-N -1 3 312.454 3.260 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1ccccc1C(=O)OC ZINC001654819849 1195844183 /nfs/dbraw/zinc/84/41/83/1195844183.db2.gz TYDJHIXMGAVEBU-UHFFFAOYSA-N -1 3 307.390 3.204 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC001654821913 1195844562 /nfs/dbraw/zinc/84/45/62/1195844562.db2.gz OURXKJSHFXIYTQ-KWCYVHTRSA-N -1 3 324.218 3.353 20 30 DGEDHM N#CC1(CCN2Cc3nc(C4CC4)[n-]c(=O)c3C2)CCCCC1 ZINC001655492540 1195924317 /nfs/dbraw/zinc/92/43/17/1195924317.db2.gz UUSHJXMILCKUKY-UHFFFAOYSA-N 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NAKLOJZSGXLIRW-UHFFFAOYSA-N -1 3 306.381 3.467 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)c(C)c1 ZINC000313464503 1199766075 /nfs/dbraw/zinc/76/60/75/1199766075.db2.gz MLJDRFQOTYWSDJ-UHFFFAOYSA-N -1 3 300.383 3.170 20 30 DGEDHM C=C(Br)CNCc1cccc([O-])c1Br ZINC000315776676 1199809907 /nfs/dbraw/zinc/80/99/07/1199809907.db2.gz WDJSTVQRTASLAB-UHFFFAOYSA-N -1 3 321.012 3.153 20 30 DGEDHM C=C(C)CCNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001573293786 946968563 /nfs/dbraw/zinc/96/85/63/946968563.db2.gz JOHAVNFHTCCHMW-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=C(C)CCNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001573293786 946968569 /nfs/dbraw/zinc/96/85/69/946968569.db2.gz JOHAVNFHTCCHMW-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=CCC[C@H]1CCCN1c1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001573335420 947477997 /nfs/dbraw/zinc/47/79/97/947477997.db2.gz YRKPPAASGNJVEX-NSHDSACASA-N -1 3 318.812 3.159 20 30 DGEDHM C=CCC[C@H]1CCCN1c1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001573335420 947478002 /nfs/dbraw/zinc/47/80/02/947478002.db2.gz YRKPPAASGNJVEX-NSHDSACASA-N -1 3 318.812 3.159 20 30 DGEDHM C=C[C@H](C(=O)[O-])N(C)Cc1ccccc1OCc1ccccc1 ZINC001573345602 962937281 /nfs/dbraw/zinc/93/72/81/962937281.db2.gz XKPZNRFSUIXUHM-QGZVFWFLSA-N -1 3 311.381 3.337 20 30 DGEDHM CC[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001595305110 980442790 /nfs/dbraw/zinc/44/27/90/980442790.db2.gz KWPGOPMJUNGYLF-GOSISDBHSA-N -1 3 324.380 3.263 20 30 DGEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588873961 984446554 /nfs/dbraw/zinc/44/65/54/984446554.db2.gz OXUAASXWVWDARE-QGZVFWFLSA-N -1 3 315.344 3.306 20 30 DGEDHM COc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)c2ccccc12 ZINC001599564459 998260425 /nfs/dbraw/zinc/26/04/25/998260425.db2.gz ZHNRBUYNLROKGJ-UHFFFAOYSA-N -1 3 324.380 3.039 20 30 DGEDHM C#C[C@H](Oc1cccc([O-])c1I)C(C)C ZINC001227377097 1096920137 /nfs/dbraw/zinc/92/01/37/1096920137.db2.gz BCSWLYCEAJRQDV-JTQLQIEISA-N -1 3 316.138 3.033 20 30 DGEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257300398 1106563348 /nfs/dbraw/zinc/56/33/48/1106563348.db2.gz IXQPWOWNHHCZCQ-GFCCVEGCSA-N -1 3 321.229 3.354 20 30 DGEDHM N#Cc1ccc(Nc2ccc(F)c([O-])c2)c(Br)n1 ZINC001211215422 1082088846 /nfs/dbraw/zinc/08/88/46/1082088846.db2.gz LBUSJNXBKWBSDQ-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM CN(C)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000005288896 1082408932 /nfs/dbraw/zinc/40/89/32/1082408932.db2.gz ZFCYYDRHCVDVSA-YCPFAOKUSA-N -1 3 313.357 3.022 20 30 DGEDHM C=CCNC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001182644860 1083774298 /nfs/dbraw/zinc/77/42/98/1083774298.db2.gz LESZWJKXMTYJTP-UHFFFAOYSA-N -1 3 318.323 3.198 20 30 DGEDHM COc1ccccc1C=CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000072673324 1083958590 /nfs/dbraw/zinc/95/85/90/1083958590.db2.gz FNJNTEJBKLYOKA-VOTSOKGWSA-N -1 3 312.251 3.134 20 30 DGEDHM COc1ccccc1C=CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000072673324 1083958596 /nfs/dbraw/zinc/95/85/96/1083958596.db2.gz FNJNTEJBKLYOKA-VOTSOKGWSA-N -1 3 312.251 3.134 20 30 DGEDHM C[C@@H](C(=O)OC(C)(C)C)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293221 1084155664 /nfs/dbraw/zinc/15/56/64/1084155664.db2.gz KKPGYWOFIAHMHW-CQSZACIVSA-N -1 3 321.417 3.205 20 30 DGEDHM Cn1c(C#N)ccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184339536 1084162897 /nfs/dbraw/zinc/16/28/97/1084162897.db2.gz HESJUBVDOJAKER-UHFFFAOYSA-N -1 3 305.337 3.082 20 30 DGEDHM O=C([C@H]1C[C@H]1c1ccc(F)cc1)N([O-])Cc1ccc(F)cc1 ZINC001184348749 1084166013 /nfs/dbraw/zinc/16/60/13/1084166013.db2.gz SZHFJUIKRJYFPS-HOTGVXAUSA-N -1 3 303.308 3.486 20 30 DGEDHM CC(C)(C)c1noc([N-]C(=O)Nc2ccc(C#N)cc2)c1C#N ZINC001184717069 1084247216 /nfs/dbraw/zinc/24/72/16/1084247216.db2.gz UDSYFSBUQVAGOB-UHFFFAOYSA-N -1 3 309.329 3.359 20 30 DGEDHM C=CCCc1ccc(C(=O)Nc2ccc(F)c([O-])c2)c(=O)[nH]1 ZINC001185364147 1084424526 /nfs/dbraw/zinc/42/45/26/1084424526.db2.gz FQJQNUYHZKVQSE-UHFFFAOYSA-N -1 3 302.305 3.003 20 30 DGEDHM COc1cccc2c1C[C@@H](C(=O)Nc1ccc([O-])c(C#N)c1)CC2 ZINC001143545315 1084617105 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O=C(c1nccc2cccnc21)N([O-])Cc1ccccc1Cl ZINC001161807666 1089414825 /nfs/dbraw/zinc/41/48/25/1089414825.db2.gz MSTYFYDLXWJWBB-UHFFFAOYSA-N -1 3 313.744 3.315 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001161826886 1089426595 /nfs/dbraw/zinc/42/65/95/1089426595.db2.gz OIAQQMJHKAUZEA-CYBMUJFWSA-N -1 3 316.442 3.430 20 30 DGEDHM CCCCCCN([O-])C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC001161826918 1089427482 /nfs/dbraw/zinc/42/74/82/1089427482.db2.gz PNGHZVOWNYUPNJ-UHFFFAOYSA-N -1 3 312.797 3.496 20 30 DGEDHM CCCCN([O-])C(=O)c1sc(N2CCCC2)nc1Cl ZINC001161826440 1089427539 /nfs/dbraw/zinc/42/75/39/1089427539.db2.gz ACYLUZKPYQPZIX-UHFFFAOYSA-N -1 3 303.815 3.028 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1ccccc1O[C@H]1CCOC1 ZINC001161826929 1089428087 /nfs/dbraw/zinc/42/80/87/1089428087.db2.gz PWENIBVIGXZCIM-INIZCTEOSA-N -1 3 321.417 3.195 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC001161826930 1089428201 /nfs/dbraw/zinc/42/82/01/1089428201.db2.gz PWENIBVIGXZCIM-MRXNPFEDSA-N -1 3 321.417 3.195 20 30 DGEDHM CCSc1cccnc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001161842613 1089435199 /nfs/dbraw/zinc/43/51/99/1089435199.db2.gz KDNPDEYTYYLHFW-UHFFFAOYSA-N -1 3 306.362 3.364 20 30 DGEDHM N#Cc1c([N-]C(=O)c2nccc3c[nH]nc32)sc2ccccc12 ZINC001156478546 1089542884 /nfs/dbraw/zinc/54/28/84/1089542884.db2.gz ISCCTOBGGJFYJA-UHFFFAOYSA-N -1 3 319.349 3.297 20 30 DGEDHM CCOc1cc(/C=C\C(=O)c2ccc([O-])c(OC)c2)ccc1O ZINC000213712663 1090548320 /nfs/dbraw/zinc/54/83/20/1090548320.db2.gz MGRZJYNQHUSVFU-DAXSKMNVSA-N -1 3 314.337 3.401 20 30 DGEDHM C=CCn1c(=O)[n-]nc1S[C@@H]1CCCc2c(Cl)ccnc21 ZINC001165841166 1090552204 /nfs/dbraw/zinc/55/22/04/1090552204.db2.gz LVJJPRVUFXIZBB-LLVKDONJSA-N -1 3 322.821 3.388 20 30 DGEDHM O=C(CN1CCc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001649041248 1090560212 /nfs/dbraw/zinc/56/02/12/1090560212.db2.gz PNZFBSDLJLTPQK-UHFFFAOYSA-N -1 3 316.788 3.121 20 30 DGEDHM O=C(c1ccc2c(n1)CCCN2)N([O-])Cc1ccccc1Cl ZINC001649046534 1090576590 /nfs/dbraw/zinc/57/65/90/1090576590.db2.gz XQUYLVLGSVJTGT-UHFFFAOYSA-N -1 3 317.776 3.125 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC[C@H](C)[C@@H]2C)n1 ZINC001166611173 1090629004 /nfs/dbraw/zinc/62/90/04/1090629004.db2.gz RPKNMPOFVKSGQB-XOBMQPGPSA-N -1 3 314.842 3.285 20 30 DGEDHM Cc1csc([N-]C(=O)c2scc3c2OCCO3)c1C#N ZINC001128849351 1091097915 /nfs/dbraw/zinc/09/79/15/1091097915.db2.gz BWYBVYHLATZDHO-UHFFFAOYSA-N -1 3 306.368 3.013 20 30 DGEDHM C#CCOc1cc(F)ccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001294180679 1091357383 /nfs/dbraw/zinc/35/73/83/1091357383.db2.gz NAIJOFZMNCOFMX-UHFFFAOYSA-N -1 3 313.328 3.412 20 30 DGEDHM N#Cc1ccccc1C(F)(F)C(=O)Nc1cccc([O-])c1F ZINC001295128094 1091508870 /nfs/dbraw/zinc/50/88/70/1091508870.db2.gz KBQTZWVMKQLUTQ-UHFFFAOYSA-N -1 3 306.243 3.133 20 30 DGEDHM N#Cc1ccc(C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001140948799 1092075423 /nfs/dbraw/zinc/07/54/23/1092075423.db2.gz ATPQMGYMIRZIHO-UHFFFAOYSA-N -1 3 310.353 3.229 20 30 DGEDHM COc1cc(C#N)ccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001209325886 1092736699 /nfs/dbraw/zinc/73/66/99/1092736699.db2.gz KWVQFGCCXGRXTQ-UHFFFAOYSA-N -1 3 306.325 3.202 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1csc2c1CCCC2 ZINC001150982361 1092849239 /nfs/dbraw/zinc/84/92/39/1092849239.db2.gz BYYZAVGXNNLSLF-UHFFFAOYSA-N -1 3 315.398 3.066 20 30 DGEDHM COC(=O)c1cc(C#N)cc(Nc2cc(C)c(F)c([O-])c2)c1 ZINC001216083101 1094119520 /nfs/dbraw/zinc/11/95/20/1094119520.db2.gz NDTSSBOPWNZWJV-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM N#Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c(C2CC2)c1 ZINC001120250304 1094394356 /nfs/dbraw/zinc/39/43/56/1094394356.db2.gz BPCFKDZPPRWGEJ-UHFFFAOYSA-N -1 3 306.369 3.421 20 30 DGEDHM Cc1ccc(Cl)cc1C/N=C\c1c([O-])c(C)ncc1CO ZINC001120772805 1094521034 /nfs/dbraw/zinc/52/10/34/1094521034.db2.gz OGKYFFGNGHQPJW-LSCVHKIXSA-N -1 3 304.777 3.169 20 30 DGEDHM Cc1cnc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C)c1 ZINC001122007289 1094864056 /nfs/dbraw/zinc/86/40/56/1094864056.db2.gz CNQZMZGKRXIABC-ZDUSSCGKSA-N -1 3 304.353 3.075 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2nccn2C)cnn1C(CC)CC ZINC001122519483 1094996858 /nfs/dbraw/zinc/99/68/58/1094996858.db2.gz XSHHDKFGDYRTIE-CYBMUJFWSA-N -1 3 313.405 3.030 20 30 DGEDHM N#CCC1(OC(=O)c2cccc3[n-]c(C(F)F)nc32)CCC1 ZINC001122998959 1095125615 /nfs/dbraw/zinc/12/56/15/1095125615.db2.gz BVCPUFRQEBFPLU-UHFFFAOYSA-N -1 3 305.284 3.494 20 30 DGEDHM C#C[C@@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144306742 1095600465 /nfs/dbraw/zinc/60/04/65/1095600465.db2.gz OHFAIQHRRCWASJ-SNVBAGLBSA-N -1 3 312.182 3.139 20 30 DGEDHM C=CCOc1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC001148463208 1096371913 /nfs/dbraw/zinc/37/19/13/1096371913.db2.gz BDENRVQHVPTECZ-UHFFFAOYSA-N -1 3 309.325 3.086 20 30 DGEDHM COc1ccc([C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c(F)c1 ZINC001225468248 1096440023 /nfs/dbraw/zinc/44/00/23/1096440023.db2.gz MJIXCBNQAANFEE-SNVBAGLBSA-N -1 3 302.305 3.255 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@@H](c2cccnc2)C(F)(F)F)[n-]1 ZINC001225470565 1096441744 /nfs/dbraw/zinc/44/17/44/1096441744.db2.gz XBVYLWFRILDEBZ-LBPRGKRZSA-N -1 3 309.247 3.045 20 30 DGEDHM COc1ccnc(OC(=C([O-])c2ccco2)c2ccco2)c1C#N ZINC001225565890 1096468723 /nfs/dbraw/zinc/46/87/23/1096468723.db2.gz INHOKPPQUNDPQE-INIZCTEOSA-N -1 3 324.292 3.151 20 30 DGEDHM C=CC[C@H](Oc1[n-]c(=O)ncc1C(=O)OCC)c1ccccc1 ZINC001225899260 1096557287 /nfs/dbraw/zinc/55/72/87/1096557287.db2.gz KENIMNZPWGDAST-AWEZNQCLSA-N -1 3 314.341 3.055 20 30 DGEDHM C=C(C)[C@H]1CC=C(C)[C@H](Oc2[n-]c(=O)ncc2C(=O)OCC)C1 ZINC001225899979 1096558961 /nfs/dbraw/zinc/55/89/61/1096558961.db2.gz WFQKIPVZZGXQQE-GXTWGEPZSA-N -1 3 318.373 3.039 20 30 DGEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226114051 1096615391 /nfs/dbraw/zinc/61/53/91/1096615391.db2.gz DFLOSZAVNMMWBZ-MRUVXERFSA-N -1 3 321.380 3.020 20 30 DGEDHM C[C@H](Oc1cccc(/C=N/[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001226113982 1096615536 /nfs/dbraw/zinc/61/55/36/1096615536.db2.gz CJNWKYHSYNKEGJ-BEAUZRKQSA-N -1 3 320.389 3.129 20 30 DGEDHM COc1ccc([C@@H](Oc2nccc(/C=N/[O-])n2)C(C)C)cc1 ZINC001226255168 1096647202 /nfs/dbraw/zinc/64/72/02/1096647202.db2.gz GVLOYNKEDLHOCB-ZNBBLSJYSA-N -1 3 301.346 3.069 20 30 DGEDHM C[C@H](C#C[Si](C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599241 1096731102 /nfs/dbraw/zinc/73/11/02/1096731102.db2.gz KIAYBJVPGIAFHH-LLVKDONJSA-N -1 3 302.402 3.147 20 30 DGEDHM C=CCc1c([O-])ccc(C(C)=O)c1OC1CCN(C2CC2)CC1 ZINC001227120129 1096873260 /nfs/dbraw/zinc/87/32/60/1096873260.db2.gz FJOBFGHLJQECDA-UHFFFAOYSA-N -1 3 315.413 3.329 20 30 DGEDHM C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc(C(=O)OC)ccc2[O-])C1 ZINC001227820662 1096994562 /nfs/dbraw/zinc/99/45/62/1096994562.db2.gz YTIUHDWOLPZJJB-DOMZBBRYSA-N -1 3 303.358 3.254 20 30 DGEDHM C[C@H](CS)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227939728 1097017040 /nfs/dbraw/zinc/01/70/40/1097017040.db2.gz DHFWIVZYVTWYPT-SNVBAGLBSA-N -1 3 304.367 3.026 20 30 DGEDHM Cc1ccnc(N2CCC(Oc3cc([O-])ccc3C#N)CC2)c1 ZINC001228006572 1097031271 /nfs/dbraw/zinc/03/12/71/1097031271.db2.gz DEOPLFWWUHSWJV-UHFFFAOYSA-N -1 3 309.369 3.015 20 30 DGEDHM Cc1cc2nc(O[C@@H](C)C#C[Si](C)(C)C)[n-]c2cc1[N+](=O)[O-] ZINC001228674686 1097164111 /nfs/dbraw/zinc/16/41/11/1097164111.db2.gz LEOBDIQNKHWDNH-NSHDSACASA-N -1 3 317.421 3.428 20 30 DGEDHM Cc1cc2[n-]c(O[C@@H](C)C#C[Si](C)(C)C)nc2cc1[N+](=O)[O-] ZINC001228674686 1097164113 /nfs/dbraw/zinc/16/41/13/1097164113.db2.gz LEOBDIQNKHWDNH-NSHDSACASA-N -1 3 317.421 3.428 20 30 DGEDHM CC[C@H](C#Cc1ccccc1)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228688642 1097167890 /nfs/dbraw/zinc/16/78/90/1097167890.db2.gz LXUZUSPLRHRGHY-CQSZACIVSA-N -1 3 312.325 3.213 20 30 DGEDHM CCC[C@@H](C#Cc1ccccc1)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228697289 1097171086 /nfs/dbraw/zinc/17/10/86/1097171086.db2.gz HHBDZVYGLHIWKZ-KRWDZBQOSA-N -1 3 318.380 3.466 20 30 DGEDHM CCC[C@@H](C#Cc1ccccc1)Oc1nc(-c2cccnc2)n[n-]1 ZINC001228697289 1097171088 /nfs/dbraw/zinc/17/10/88/1097171088.db2.gz HHBDZVYGLHIWKZ-KRWDZBQOSA-N -1 3 318.380 3.466 20 30 DGEDHM CCC[C@H](C#Cc1ccccc1)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700434 1097172047 /nfs/dbraw/zinc/17/20/47/1097172047.db2.gz RXVJIMNSPJCKOU-QGZVFWFLSA-N -1 3 318.380 3.466 20 30 DGEDHM Cc1cccc2c(O[C@H](C#N)c3cccc(F)c3)[n-]c(=O)nc12 ZINC001229408652 1097315398 /nfs/dbraw/zinc/31/53/98/1097315398.db2.gz XJFXUPCOTNDSEK-CQSZACIVSA-N -1 3 309.300 3.427 20 30 DGEDHM O=C1OCCC[C@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932760 1097414072 /nfs/dbraw/zinc/41/40/72/1097414072.db2.gz HQUQNAXYRUXLGL-MIQLPHMESA-N -1 3 311.337 3.227 20 30 DGEDHM C#C[C@H](Oc1[n-]c(=O)nc2ccc(OC)cc21)c1ccccc1 ZINC001230853994 1097607714 /nfs/dbraw/zinc/60/77/14/1097607714.db2.gz PEFYTMMGQXAXSH-INIZCTEOSA-N -1 3 306.321 3.097 20 30 DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cccc(-c3nnn[n-]3)c2)O1 ZINC001231118445 1097673295 /nfs/dbraw/zinc/67/32/95/1097673295.db2.gz OGOQBBMACOFRAY-RHSMWYFYSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cccc(-c3nn[n-]n3)c2)O1 ZINC001231118445 1097673298 /nfs/dbraw/zinc/67/32/98/1097673298.db2.gz OGOQBBMACOFRAY-RHSMWYFYSA-N -1 3 314.389 3.148 20 30 DGEDHM CC(C)(C)c1noc([N-]c2cnn(Cc3cccnc3)c2)c1C#N ZINC001176453492 1098354482 /nfs/dbraw/zinc/35/44/82/1098354482.db2.gz AXTQVAOHYOHQDK-UHFFFAOYSA-N -1 3 322.372 3.227 20 30 DGEDHM COC(=O)c1ccc(Nc2cc([O-])cc(Cl)c2)c(C#N)c1 ZINC001176625792 1098394399 /nfs/dbraw/zinc/39/43/99/1098394399.db2.gz MNBFKUCRZFVQAU-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM CCOC(=O)C[C@@H](Oc1ccc(C(C)=N[O-])cc1)C(F)(F)F ZINC001234082238 1098491681 /nfs/dbraw/zinc/49/16/81/1098491681.db2.gz RSYBFTNVCFGBDJ-GFCCVEGCSA-N -1 3 319.279 3.148 20 30 DGEDHM CCCCCCCCS(=O)(=O)[N-]c1cnc2cc(C)nn2c1 ZINC001187994898 1099653377 /nfs/dbraw/zinc/65/33/77/1099653377.db2.gz SZMPJADKXJTGEN-UHFFFAOYSA-N -1 3 324.450 3.140 20 30 DGEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3F)[nH]n2)ccc1[O-] ZINC001188025270 1099669781 /nfs/dbraw/zinc/66/97/81/1099669781.db2.gz ZVETZZPKGCTLEL-UHFFFAOYSA-N -1 3 322.299 3.045 20 30 DGEDHM CCCCCCCC[N-]S(=O)(=O)c1cnc(CC)s1 ZINC001188290538 1099727466 /nfs/dbraw/zinc/72/74/66/1099727466.db2.gz YKQWRSGUYRIUGW-UHFFFAOYSA-N -1 3 304.481 3.344 20 30 DGEDHM Cc1cc([O-])c(CN2CC[C@](C)(C#N)C2)cc1Br ZINC001237686503 1100214233 /nfs/dbraw/zinc/21/42/33/1100214233.db2.gz UROQWQHYROMSQC-CQSZACIVSA-N -1 3 309.207 3.199 20 30 DGEDHM N#Cc1sccc1[N-]C(=O)c1csc(-c2ccncc2)n1 ZINC001190335217 1100247970 /nfs/dbraw/zinc/24/79/70/1100247970.db2.gz YICUNXSYVPXIMZ-UHFFFAOYSA-N -1 3 312.379 3.391 20 30 DGEDHM C=CCC1(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2F)CC1 ZINC001190805118 1100341390 /nfs/dbraw/zinc/34/13/90/1100341390.db2.gz AYFFBUHDZAOIOE-UHFFFAOYSA-N -1 3 309.284 3.093 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2cccc3nsnc32)c(F)c1 ZINC001191904540 1100543510 /nfs/dbraw/zinc/54/35/10/1100543510.db2.gz HMJATBUGWXHNBW-UHFFFAOYSA-N -1 3 316.292 3.093 20 30 DGEDHM CC(C)(C)c1cnc(C(=O)[N-]c2c(C#N)ccc(F)c2F)cn1 ZINC001192792074 1100667993 /nfs/dbraw/zinc/66/79/93/1100667993.db2.gz MWSARRVQPWQLSS-UHFFFAOYSA-N -1 3 316.311 3.176 20 30 DGEDHM CC(C)NC(=O)c1cccc(-c2cc(/C=N/[O-])ccc2F)c1 ZINC001240082828 1100858355 /nfs/dbraw/zinc/85/83/55/1100858355.db2.gz HCGNISDOCLJDPY-VXLYETTFSA-N -1 3 300.333 3.439 20 30 DGEDHM CC(C)Oc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)c(F)c1 ZINC001195802115 1101205268 /nfs/dbraw/zinc/20/52/68/1101205268.db2.gz QKXZYCOBLRLOMB-UHFFFAOYSA-N -1 3 314.316 3.442 20 30 DGEDHM CC(=O)c1ccc(NC(=S)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001196556180 1101340213 /nfs/dbraw/zinc/34/02/13/1101340213.db2.gz MMJCHEGRRDNBHH-UHFFFAOYSA-N -1 3 311.366 3.275 20 30 DGEDHM N#Cc1cccc(-c2cc(C(=O)Nc3ccc(F)c([O-])c3)no2)c1 ZINC001196769106 1101374436 /nfs/dbraw/zinc/37/44/36/1101374436.db2.gz ZMHXUINPSQCQFY-UHFFFAOYSA-N -1 3 323.283 3.310 20 30 DGEDHM CCS(=O)(=O)c1cccc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001241465539 1101483547 /nfs/dbraw/zinc/48/35/47/1101483547.db2.gz QNPXUAUMYNVHRF-ZCXUNETKSA-N -1 3 315.394 3.272 20 30 DGEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3ncccc3[O-])o2)cc1 ZINC001197388529 1101553097 /nfs/dbraw/zinc/55/30/97/1101553097.db2.gz ZFEJHZMWYLXETD-UHFFFAOYSA-N -1 3 305.293 3.171 20 30 DGEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3cncc([O-])c3)o2)cc1 ZINC001197388227 1101553787 /nfs/dbraw/zinc/55/37/87/1101553787.db2.gz VIAMBHPAHOVEEH-UHFFFAOYSA-N -1 3 305.293 3.171 20 30 DGEDHM N#Cc1cccc2c([N-]S(=O)(=O)Cc3ccccn3)cccc12 ZINC001197822218 1101684338 /nfs/dbraw/zinc/68/43/38/1101684338.db2.gz WWGWRQPXUFVVNU-UHFFFAOYSA-N -1 3 323.377 3.048 20 30 DGEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1ccc(F)cn1 ZINC001241806714 1101714895 /nfs/dbraw/zinc/71/48/95/1101714895.db2.gz XOVJWIYNMFWPGQ-DJKKODMXSA-N -1 3 316.336 3.075 20 30 DGEDHM [O-]/N=C/c1ccc(-c2ccccc2CN2CCOCC2)cc1F ZINC001241993770 1101842081 /nfs/dbraw/zinc/84/20/81/1101842081.db2.gz OSRFGOBTJJOVAU-UDWIEESQSA-N -1 3 314.360 3.133 20 30 DGEDHM Cc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)nc2ccccc12 ZINC001198603497 1101922887 /nfs/dbraw/zinc/92/28/87/1101922887.db2.gz JCPLJQCYCXFFDU-UHFFFAOYSA-N -1 3 303.321 3.373 20 30 DGEDHM N#Cc1cc(-c2ccc([C@H]3CN4CCSC4=N3)cc2)ccc1[O-] ZINC001242565324 1102214262 /nfs/dbraw/zinc/21/42/62/1102214262.db2.gz XAVKMLWQIWZVNA-MRXNPFEDSA-N -1 3 321.405 3.390 20 30 DGEDHM COC(=O)c1ccc(-c2cc([O-])cc(C(F)(F)F)c2)c(C#N)n1 ZINC001242782497 1102339997 /nfs/dbraw/zinc/33/99/97/1102339997.db2.gz SDEZLVWRLSMFRQ-UHFFFAOYSA-N -1 3 322.242 3.131 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(C#N)cc1F ZINC001201574047 1102657524 /nfs/dbraw/zinc/65/75/24/1102657524.db2.gz NTJYBHAMOJSLLF-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM CCOC(=O)Cc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001243522425 1102776668 /nfs/dbraw/zinc/77/66/68/1102776668.db2.gz IGRMAANFYLOLJL-YBFXNURJSA-N -1 3 301.317 3.406 20 30 DGEDHM Cc1cc(N2CCOCC2)ccc1-c1ccc(/C=N/[O-])c(F)c1 ZINC001244166751 1103247908 /nfs/dbraw/zinc/24/79/08/1103247908.db2.gz GOOZQQJTXOZXHT-UDWIEESQSA-N -1 3 314.360 3.446 20 30 DGEDHM CCCCC1CCC(/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC001326777206 1103439719 /nfs/dbraw/zinc/43/97/19/1103439719.db2.gz QEMGPDUUJOQRBZ-UHFFFAOYSA-N -1 3 320.458 3.474 20 30 DGEDHM COC(=O)c1ccc(-c2ccc3c(c2)CC/C3=N/[O-])c(OC)c1 ZINC001245632909 1104164992 /nfs/dbraw/zinc/16/49/92/1104164992.db2.gz XWNYJLJHAHQQFR-MNDPQUGUSA-N -1 3 311.337 3.273 20 30 DGEDHM C=CCCNC(=S)Nc1c([O-])cccc1Br ZINC001247648333 1104950439 /nfs/dbraw/zinc/95/04/39/1104950439.db2.gz BTFTXRVYJJTSNT-UHFFFAOYSA-N -1 3 301.209 3.017 20 30 DGEDHM C=CCCCNC(=S)Nc1c([O-])cccc1Br ZINC001247755716 1104974641 /nfs/dbraw/zinc/97/46/41/1104974641.db2.gz YQLNUXSEFOXFMK-UHFFFAOYSA-N -1 3 315.236 3.407 20 30 DGEDHM Cc1cc(CN2CCC[C@@H](C#N)C2)c([O-])cc1Br ZINC001250128388 1105448569 /nfs/dbraw/zinc/44/85/69/1105448569.db2.gz DNOQVTVOGFCVOR-NSHDSACASA-N -1 3 309.207 3.199 20 30 DGEDHM C=CCc1cccc(-c2nc3cc(C(=O)NC)ccc3n2C)c1[O-] ZINC001250712870 1105564316 /nfs/dbraw/zinc/56/43/16/1105564316.db2.gz NZNPTDMLVWYNQY-UHFFFAOYSA-N -1 3 321.380 3.034 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2)c(F)c1Cl ZINC001251149068 1105632779 /nfs/dbraw/zinc/63/27/79/1105632779.db2.gz LNEIZSUZZWYEIW-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM CCCCCCCC[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001252119942 1105743662 /nfs/dbraw/zinc/74/36/62/1105743662.db2.gz JTGROACJQYMUDB-INIZCTEOSA-N -1 3 317.437 3.390 20 30 DGEDHM CCCCCCCC[C@@H](O)CNCC(=O)c1ccc([O-])cc1 ZINC001252139266 1105749548 /nfs/dbraw/zinc/74/95/48/1105749548.db2.gz LLKMLYHUKIEDLM-QGZVFWFLSA-N -1 3 307.434 3.276 20 30 DGEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)cc1Cl ZINC001258132880 1106678769 /nfs/dbraw/zinc/67/87/69/1106678769.db2.gz QDTDVIAQWJQBIK-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM Cc1cc(F)cc(Cl)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258278701 1106707500 /nfs/dbraw/zinc/70/75/00/1106707500.db2.gz CIMMZQYHPHDQDB-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=CCS(=O)(=O)[N-]c1cc2ccccc2nc1C(F)(F)F ZINC001259923723 1107225446 /nfs/dbraw/zinc/22/54/46/1107225446.db2.gz YAMAPOOBPXQYSL-UHFFFAOYSA-N -1 3 316.304 3.181 20 30 DGEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC001260973432 1107330700 /nfs/dbraw/zinc/33/07/00/1107330700.db2.gz QLGVKUUIFGXHOV-UHFFFAOYSA-N -1 3 321.785 3.131 20 30 DGEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)c1C ZINC001261000144 1107340839 /nfs/dbraw/zinc/34/08/39/1107340839.db2.gz RDWLNMKSLLZHEF-UHFFFAOYSA-N -1 3 318.373 3.309 20 30 DGEDHM N#Cc1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)co1 ZINC001280337723 1109186758 /nfs/dbraw/zinc/18/67/58/1109186758.db2.gz XWXGAXLLFGEPPY-ONEGZZNKSA-N -1 3 312.310 3.018 20 30 DGEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306896351 1111247643 /nfs/dbraw/zinc/24/76/43/1111247643.db2.gz UCAHSWSJVUPKEC-LJIGWXMPSA-N -1 3 305.418 3.287 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001306896703 1111248264 /nfs/dbraw/zinc/24/82/64/1111248264.db2.gz JKGFNDUJIJHZSK-ZDUSSCGKSA-N -1 3 316.442 3.334 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001306897541 1111248574 /nfs/dbraw/zinc/24/85/74/1111248574.db2.gz QXSISDOCWPOCPH-QGZVFWFLSA-N -1 3 304.434 3.367 20 30 DGEDHM CCn1cc(CC(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001306900804 1111248731 /nfs/dbraw/zinc/24/87/31/1111248731.db2.gz RVPIDQDIGDIROE-UHFFFAOYSA-N -1 3 309.369 3.017 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001306897540 1111248833 /nfs/dbraw/zinc/24/88/33/1111248833.db2.gz QXSISDOCWPOCPH-KRWDZBQOSA-N -1 3 304.434 3.367 20 30 DGEDHM N#Cc1cc(C(F)(F)F)cc(NCc2ccc([O-])c(F)c2)n1 ZINC001306975146 1111256622 /nfs/dbraw/zinc/25/66/22/1111256622.db2.gz BPLJJHHEZPXQNN-UHFFFAOYSA-N -1 3 311.238 3.429 20 30 DGEDHM C=C1CCC(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001309837750 1111541921 /nfs/dbraw/zinc/54/19/21/1111541921.db2.gz ZRKVOPYCFSBSDK-UHFFFAOYSA-N -1 3 305.852 3.426 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1Cl ZINC000314458375 231132104 /nfs/dbraw/zinc/13/21/04/231132104.db2.gz DFZVUYNKUAVREE-UHFFFAOYSA-N -1 3 320.801 3.196 20 30 DGEDHM C=CCOCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000155804467 186113906 /nfs/dbraw/zinc/11/39/06/186113906.db2.gz JHFMUZRQFQMRID-UHFFFAOYSA-N -1 3 317.307 3.236 20 30 DGEDHM C=CC[C@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000277215312 213372525 /nfs/dbraw/zinc/37/25/25/213372525.db2.gz HNBDBDGESHUMGK-NSHDSACASA-N -1 3 318.598 3.221 20 30 DGEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000417562501 237620558 /nfs/dbraw/zinc/62/05/58/237620558.db2.gz MPFCYBHBVYPOCS-IAQYHMDHSA-N -1 3 300.383 3.171 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(F)cc(F)c3)nc1-2 ZINC000429582016 238055884 /nfs/dbraw/zinc/05/58/84/238055884.db2.gz YOKBAAXUFPCTCD-GFCCVEGCSA-N -1 3 312.279 3.035 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)c1 ZINC000429588207 238056514 /nfs/dbraw/zinc/05/65/14/238056514.db2.gz HHXYPMDYPWZXBX-AWEZNQCLSA-N -1 3 304.353 3.373 20 30 DGEDHM N#C[C@H](CCc1ccccc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000433369983 238157631 /nfs/dbraw/zinc/15/76/31/238157631.db2.gz BKVHTHIXBCFTOX-KRWDZBQOSA-N -1 3 320.392 3.444 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1CCC(C)C ZINC000495179915 246242873 /nfs/dbraw/zinc/24/28/73/246242873.db2.gz HQOSTVQTRWYDDU-CQSZACIVSA-N -1 3 310.401 3.377 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc(C)c1F ZINC000135374093 284473676 /nfs/dbraw/zinc/47/36/76/284473676.db2.gz DVGRQTIBDSMOQX-UHFFFAOYSA-N -1 3 322.336 3.254 20 30 DGEDHM CCOC(=O)c1ccc(NC(=O)c2cccc(C#N)c2C)c([O-])c1 ZINC000338183657 253238682 /nfs/dbraw/zinc/23/86/82/253238682.db2.gz SGNOMXJJDFESBI-UHFFFAOYSA-N -1 3 324.336 3.001 20 30 DGEDHM CCN(C(=O)/C=C\c1cncc([O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000255383319 285151858 /nfs/dbraw/zinc/15/18/58/285151858.db2.gz WBFALNBEKZUESJ-PIZKADEWSA-N -1 3 321.380 3.282 20 30 DGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000255577371 285166045 /nfs/dbraw/zinc/16/60/45/285166045.db2.gz QFHBQEWKZNECMK-FPLPWBNLSA-N -1 3 321.380 3.111 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c(C)c1 ZINC000429565040 533353369 /nfs/dbraw/zinc/35/33/69/533353369.db2.gz RDZZNQLWCHAGRI-CQSZACIVSA-N -1 3 320.352 3.073 20 30 DGEDHM N#CCC1CCN(Cc2cccc([O-])c2Br)CC1 ZINC000584825011 400110703 /nfs/dbraw/zinc/11/07/03/400110703.db2.gz GMJJNRBHDZVLTH-UHFFFAOYSA-N -1 3 309.207 3.280 20 30 DGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(Cl)cc2C#N)n1 ZINC000595529387 400177722 /nfs/dbraw/zinc/17/77/22/400177722.db2.gz VQJLGAGJMGXZDX-UHFFFAOYSA-N -1 3 316.792 3.041 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)c1 ZINC000325268054 400179456 /nfs/dbraw/zinc/17/94/56/400179456.db2.gz LNIVXTVMWHWBCF-HNNXBMFYSA-N -1 3 324.833 3.069 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)CCC2CC2)cc1C(F)(F)F ZINC000092276710 400160936 /nfs/dbraw/zinc/16/09/36/400160936.db2.gz YAQIZSWVYBJJOG-UHFFFAOYSA-N -1 3 318.320 3.119 20 30 DGEDHM Cc1ncc(CO)c(/C=N/c2ccc(C(C)(C)C#N)cc2)c1[O-] ZINC000026432246 400257986 /nfs/dbraw/zinc/25/79/86/400257986.db2.gz PDFWVMAITWKUQC-ZVBGSRNCSA-N -1 3 309.369 3.140 20 30 DGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000385169951 400262601 /nfs/dbraw/zinc/26/26/01/400262601.db2.gz MELPYNZEIPJGAB-UHFFFAOYSA-N -1 3 324.265 3.001 20 30 DGEDHM COc1ccc([O-])c(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000133492138 400570859 /nfs/dbraw/zinc/57/08/59/400570859.db2.gz RXCFYRQULGQLTK-UHFFFAOYSA-N -1 3 302.717 3.178 20 30 DGEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000597159413 400574095 /nfs/dbraw/zinc/57/40/95/400574095.db2.gz KLANILXZALMULO-UHFFFAOYSA-N -1 3 314.389 3.061 20 30 DGEDHM N#CC[C@@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000597177880 400578117 /nfs/dbraw/zinc/57/81/17/400578117.db2.gz RQGHVOJGUHQCKL-NSHDSACASA-N -1 3 309.207 3.280 20 30 DGEDHM Cc1nc(C(=O)[N-]c2nc(-c3ccccc3)ns2)ccc1C#N ZINC000077649619 400734983 /nfs/dbraw/zinc/73/49/83/400734983.db2.gz MPTWTVRSFSSPFT-UHFFFAOYSA-N -1 3 321.365 3.033 20 30 DGEDHM COc1ccccc1-c1nc(NC(=O)Cc2ccsc2)n[n-]1 ZINC000052778711 400747690 /nfs/dbraw/zinc/74/76/90/400747690.db2.gz DAUBCGYEGCSDEL-UHFFFAOYSA-N -1 3 314.370 3.373 20 30 DGEDHM N#CC[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000597903939 400691755 /nfs/dbraw/zinc/69/17/55/400691755.db2.gz AMFVTEDNUFLEAL-AWEZNQCLSA-N -1 3 304.365 3.006 20 30 DGEDHM CCC(C)(C)[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597952695 400703097 /nfs/dbraw/zinc/70/30/97/400703097.db2.gz VLBUDVGMWDVHOG-CYBMUJFWSA-N -1 3 317.433 3.149 20 30 DGEDHM CCC(C)(C)[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597952697 400703222 /nfs/dbraw/zinc/70/32/22/400703222.db2.gz VLBUDVGMWDVHOG-ZDUSSCGKSA-N -1 3 317.433 3.149 20 30 DGEDHM N#CC1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCC1 ZINC000598740304 400870009 /nfs/dbraw/zinc/87/00/09/400870009.db2.gz HOLDHCAQOOEBDX-UHFFFAOYSA-N -1 3 312.291 3.225 20 30 DGEDHM N#C[C@@]1(F)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000615824334 401158169 /nfs/dbraw/zinc/15/81/69/401158169.db2.gz GKPYLBQTZDQAIC-IBGZPJMESA-N -1 3 324.355 3.061 20 30 DGEDHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000229338560 165392021 /nfs/dbraw/zinc/39/20/21/165392021.db2.gz QUKCXZYLWJLJTN-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)s1 ZINC000230339614 165396218 /nfs/dbraw/zinc/39/62/18/165396218.db2.gz PNQALSHZOKLDCA-LLVKDONJSA-N -1 3 324.452 3.037 20 30 DGEDHM CC(C)CO[N-]C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000269733602 432204269 /nfs/dbraw/zinc/20/42/69/432204269.db2.gz YHRNIECTZLCGCP-UHFFFAOYSA-N -1 3 301.268 3.286 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/[C@H]2CCOC3(CCCCC3)C2)c1O ZINC000128490316 227008305 /nfs/dbraw/zinc/00/83/05/227008305.db2.gz ADFCZHLEGUGADD-FHXOWUIVSA-N -1 3 305.374 3.104 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCCCC2)c1 ZINC000160770011 228248798 /nfs/dbraw/zinc/24/87/98/228248798.db2.gz MSEQGTSFQAPTCT-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM N#Cc1c([N-]C(=O)c2ncncc2Cl)sc2c1CCCC2 ZINC000178345385 228340189 /nfs/dbraw/zinc/34/01/89/228340189.db2.gz XWKHNBFRFDCBTD-UHFFFAOYSA-N -1 3 318.789 3.194 20 30 DGEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000192785589 228554534 /nfs/dbraw/zinc/55/45/34/228554534.db2.gz ZWGCRMYMOWBYRQ-NHYWBVRUSA-N -1 3 307.344 3.071 20 30 DGEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000192785625 228554953 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Cc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1F ZINC000355867901 229319996 /nfs/dbraw/zinc/31/99/96/229319996.db2.gz NEAGXUOMVRVWDQ-UHFFFAOYSA-N -1 3 304.346 3.001 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCC2CCCC2)c(F)c1 ZINC000525186962 269968105 /nfs/dbraw/zinc/96/81/05/269968105.db2.gz GDFVRSLQOQLYEN-UHFFFAOYSA-N -1 3 324.421 3.336 20 30 DGEDHM CCC(CC)c1cc(C(=O)[N-]c2n[nH]c(C3CC3)c2C#N)on1 ZINC000359718882 266005455 /nfs/dbraw/zinc/00/54/55/266005455.db2.gz RNMUDDCAPZFRHS-UHFFFAOYSA-N -1 3 313.361 3.303 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c1 ZINC000356619765 268099183 /nfs/dbraw/zinc/09/91/83/268099183.db2.gz LAJCOURQYZAFPT-CQSZACIVSA-N -1 3 324.833 3.213 20 30 DGEDHM N#Cc1ccc(CCC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000182951277 432245444 /nfs/dbraw/zinc/24/54/44/432245444.db2.gz ABVYAYVZTJLZNQ-UHFFFAOYSA-N -1 3 306.365 3.176 20 30 DGEDHM CC(=O)c1cc(F)cc(CN(CCC#N)Cc2ccco2)c1[O-] ZINC000079516353 431728174 /nfs/dbraw/zinc/72/81/74/431728174.db2.gz WDSJOGYYJUGDGI-UHFFFAOYSA-N -1 3 316.332 3.243 20 30 DGEDHM COc1ccc(F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122976821 431850473 /nfs/dbraw/zinc/85/04/73/431850473.db2.gz CKTVOAAZDUAEHS-ZDUSSCGKSA-N -1 3 323.327 3.211 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)ccc1F ZINC000088547106 431859043 /nfs/dbraw/zinc/85/90/43/431859043.db2.gz WSNPFJCNPVMXIJ-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CCCN(CC)c1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000123572357 431868284 /nfs/dbraw/zinc/86/82/84/431868284.db2.gz IGMMBQRGMWGANK-OAHLLOKOSA-N -1 3 308.385 3.203 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1C(C)C ZINC000092693715 431910750 /nfs/dbraw/zinc/91/07/50/431910750.db2.gz SRCTWCIKLCBBFK-LBPRGKRZSA-N -1 3 307.357 3.139 20 30 DGEDHM C=CCC(CC=C)C(=O)[N-]c1oc(CC)nc1C(=O)OCC ZINC000093317975 431914904 /nfs/dbraw/zinc/91/49/04/431914904.db2.gz LZMBTTHSWZAAAM-UHFFFAOYSA-N -1 3 306.362 3.121 20 30 DGEDHM CC[C@@H](C#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094079917 431918149 /nfs/dbraw/zinc/91/81/49/431918149.db2.gz QPGMSGKYZJECPM-AWEZNQCLSA-N -1 3 310.353 3.003 20 30 DGEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(OC)cc1[O-] ZINC000094122088 431920025 /nfs/dbraw/zinc/92/00/25/431920025.db2.gz VOTKIXDGANUWIN-UHFFFAOYSA-N -1 3 304.390 3.193 20 30 DGEDHM CCc1cc(=O)[n-]c(CSCc2cc(F)ccc2C#N)n1 ZINC000125639082 431931954 /nfs/dbraw/zinc/93/19/54/431931954.db2.gz WGVQMSWXGHKNIG-UHFFFAOYSA-N -1 3 303.362 3.189 20 30 DGEDHM Cc1nn(C)c(C)c1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000048855603 431933895 /nfs/dbraw/zinc/93/38/95/431933895.db2.gz YVMUCLZBMHKOEZ-CQSZACIVSA-N -1 3 304.353 3.075 20 30 DGEDHM COCCCN1Cc2cccc(/N=C/c3ccccc3[O-])c2C1 ZINC000102713648 431997242 /nfs/dbraw/zinc/99/72/42/431997242.db2.gz KRNMDIKXXGXHQY-UDWIEESQSA-N -1 3 310.397 3.495 20 30 DGEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc([O-])c1 ZINC000192529714 432384120 /nfs/dbraw/zinc/38/41/20/432384120.db2.gz YOFVNNDQXNWTJR-UHFFFAOYSA-N -1 3 319.282 3.193 20 30 DGEDHM N#CCOc1ccc(/C=C\C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000254970798 432406836 /nfs/dbraw/zinc/40/68/36/432406836.db2.gz WSTVHBGRSGMLTA-BAQGIRSFSA-N -1 3 312.300 3.086 20 30 DGEDHM CCc1cc(=O)[n-]c(CN(CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000176815535 432555135 /nfs/dbraw/zinc/55/51/35/432555135.db2.gz DXGOSFVKBBXTRS-ZDUSSCGKSA-N -1 3 310.401 3.199 20 30 DGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)Cc1ccccc1F ZINC000186621645 432614768 /nfs/dbraw/zinc/61/47/68/432614768.db2.gz FFJNIOBEKRDOOJ-UHFFFAOYSA-N -1 3 312.410 3.108 20 30 DGEDHM Cc1ccc(C[C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)s1 ZINC000265614320 432714393 /nfs/dbraw/zinc/71/43/93/432714393.db2.gz VVVQTNGZTINHOC-UWOUAGFBSA-N -1 3 304.415 3.008 20 30 DGEDHM Cc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 ZINC000159314344 432677765 /nfs/dbraw/zinc/67/77/65/432677765.db2.gz QBLAQYYJMGGZRN-AWEZNQCLSA-N -1 3 300.745 3.349 20 30 DGEDHM C=CCCCCNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000274573297 432684151 /nfs/dbraw/zinc/68/41/51/432684151.db2.gz GAFJFDLPVGKOOJ-UHFFFAOYSA-N -1 3 302.349 3.474 20 30 DGEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189233690 432771474 /nfs/dbraw/zinc/77/14/74/432771474.db2.gz ICMOIYVBWWIHMA-VIFPVBQESA-N -1 3 300.280 3.033 20 30 DGEDHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230350136 432729045 /nfs/dbraw/zinc/72/90/45/432729045.db2.gz LKNNWZFQNDJXOW-NSHDSACASA-N -1 3 300.449 3.257 20 30 DGEDHM CN(Cc1cccc(C#N)c1)C(=O)Cc1ccc([O-])cc1Cl ZINC000162601426 432828502 /nfs/dbraw/zinc/82/85/02/432828502.db2.gz TVRIJFWGZXZEQH-UHFFFAOYSA-N -1 3 314.772 3.118 20 30 DGEDHM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2csc(=O)[n-]2)cc1 ZINC000329991825 432886505 /nfs/dbraw/zinc/88/65/05/432886505.db2.gz XEUWNOCJBFZDIX-JSGCOSHPSA-N -1 3 318.398 3.382 20 30 DGEDHM [O-]c1cccc(/C=N/c2cccc(OC[C@H]3CCCO3)c2)c1O ZINC000298291414 433081286 /nfs/dbraw/zinc/08/12/86/433081286.db2.gz FQULRRVMAUXSQQ-YDDPGSGASA-N -1 3 313.353 3.406 20 30 DGEDHM N#Cc1c(F)cccc1C(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000361467022 433188439 /nfs/dbraw/zinc/18/84/39/433188439.db2.gz SUPWCLOLGPEQFO-UHFFFAOYSA-N -1 3 314.301 3.061 20 30 DGEDHM CC(=O)N1CCC[C@H](C/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000280958463 433240235 /nfs/dbraw/zinc/24/02/35/433240235.db2.gz KFTDOAZCYPDDBA-RVZJCZPVSA-N -1 3 310.397 3.223 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nn1C(C)C ZINC000453676793 433259408 /nfs/dbraw/zinc/25/94/08/433259408.db2.gz ULULVBWXTXJITR-CYBMUJFWSA-N -1 3 321.384 3.447 20 30 DGEDHM CCN(C[C@@H](C)C#N)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448726507 433516592 /nfs/dbraw/zinc/51/65/92/433516592.db2.gz UDJCVVRESQTIFN-AWEZNQCLSA-N -1 3 310.397 3.486 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccn1 ZINC000362182408 433564339 /nfs/dbraw/zinc/56/43/39/433564339.db2.gz HKANDTKUHRWRGP-GFCCVEGCSA-N -1 3 305.259 3.294 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cc(C)c(Br)c(F)c1 ZINC000414393420 433593833 /nfs/dbraw/zinc/59/38/33/433593833.db2.gz DILWEGIONMCCFF-UHFFFAOYSA-N -1 3 322.199 3.214 20 30 DGEDHM N#Cc1cccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426733100 433575016 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N#Cc1cccc(C2(c3nc(-c4ccc([O-])cc4)no3)CC2)c1 ZINC000436535798 433997991 /nfs/dbraw/zinc/99/79/91/433997991.db2.gz SWKUBMSKMZQXEB-UHFFFAOYSA-N -1 3 303.321 3.394 20 30 DGEDHM C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc([O-])cc2)no1 ZINC000436770785 434103474 /nfs/dbraw/zinc/10/34/74/434103474.db2.gz UTGDEDVFGJJBKM-LLVKDONJSA-N -1 3 307.309 3.454 20 30 DGEDHM CC[C@@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])cc2C#N)c1C ZINC000357641777 434110540 /nfs/dbraw/zinc/11/05/40/434110540.db2.gz IYKPHBQCVBFQJJ-SECBINFHSA-N -1 3 300.322 3.081 20 30 DGEDHM CC(C)(C)CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000313474958 434130133 /nfs/dbraw/zinc/13/01/33/434130133.db2.gz YOFIPTVAJHPWKY-UHFFFAOYSA-N -1 3 314.838 3.316 20 30 DGEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000316156169 434181419 /nfs/dbraw/zinc/18/14/19/434181419.db2.gz XHYPYRDMFYMTTI-UHFFFAOYSA-N -1 3 321.229 3.212 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(COC2CCCC2)cc1 ZINC000416943010 434258240 /nfs/dbraw/zinc/25/82/40/434258240.db2.gz BQOVVFCVTBZSTM-INIZCTEOSA-N -1 3 322.430 3.190 20 30 DGEDHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000386280049 434309845 /nfs/dbraw/zinc/30/98/45/434309845.db2.gz QTDJRWMLTUJVQM-SNVBAGLBSA-N -1 3 300.449 3.113 20 30 DGEDHM C[C@H](CCOCc1ccccc1)/N=C/c1ccc(O)c([O-])c1O ZINC000287250896 434314465 /nfs/dbraw/zinc/31/44/65/434314465.db2.gz PMLGUZGGIBJGCQ-OTGIAGGSSA-N -1 3 315.369 3.218 20 30 DGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000364706297 294814161 /nfs/dbraw/zinc/81/41/61/294814161.db2.gz XLJYFCQVTSRMCK-IRXDYDNUSA-N -1 3 322.364 3.010 20 30 DGEDHM CC1(C)C[C@]1(C#N)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000295613955 434424872 /nfs/dbraw/zinc/42/48/72/434424872.db2.gz OEVASMGZBPUKCB-LJQANCHMSA-N -1 3 308.381 3.286 20 30 DGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(C)c(Br)s1 ZINC000417627939 434477236 /nfs/dbraw/zinc/47/72/36/434477236.db2.gz QAHYOGKSPTVXJJ-VIFPVBQESA-N -1 3 318.236 3.328 20 30 DGEDHM CCSc1nnc([N-]C(=O)c2oc(C3CC3)nc2C)s1 ZINC000329851090 434492746 /nfs/dbraw/zinc/49/27/46/434492746.db2.gz QMZKEWUTZFWLQH-UHFFFAOYSA-N -1 3 310.404 3.460 20 30 DGEDHM Cc1csc(C2(NC(=O)c3csc(=O)[n-]3)CCCC2)n1 ZINC000329892339 434500347 /nfs/dbraw/zinc/50/03/47/434500347.db2.gz AFFBRQSFFJGPJJ-UHFFFAOYSA-N -1 3 309.416 3.388 20 30 DGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@](C)(C#N)CC)c2)n1 ZINC000368495116 434574540 /nfs/dbraw/zinc/57/45/40/434574540.db2.gz IMLLRQOTTKWXHU-GOSISDBHSA-N -1 3 324.384 3.290 20 30 DGEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)c(F)c1)c1ccncn1 ZINC000439582183 434625629 /nfs/dbraw/zinc/62/56/29/434625629.db2.gz RIUUJSAVIAVIQI-SECBINFHSA-N -1 3 309.222 3.125 20 30 DGEDHM Cc1ccnc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)n1 ZINC000411009975 434698369 /nfs/dbraw/zinc/69/83/69/434698369.db2.gz ZXXOGWXGNYRVRL-UHFFFAOYSA-N -1 3 300.387 3.268 20 30 DGEDHM N#C[C@H]1CC[C@@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000424966213 434833652 /nfs/dbraw/zinc/83/36/52/434833652.db2.gz LVLJIOUCRPWKSN-XJKSGUPXSA-N -1 3 308.381 3.286 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462335937 434909607 /nfs/dbraw/zinc/90/96/07/434909607.db2.gz CYSSWIQBUDKMKZ-QMMMGPOBSA-N -1 3 324.229 3.245 20 30 DGEDHM CCCCOc1ccc(C(=O)N2CCC(CC#N)CC2)c([O-])c1 ZINC000530459492 435046211 /nfs/dbraw/zinc/04/62/11/435046211.db2.gz CFCKHCOUSBNKGJ-UHFFFAOYSA-N -1 3 316.401 3.337 20 30 DGEDHM CC(=O)c1cccc(NC(=O)C=Cc2cccc(C#N)c2)c1[O-] ZINC000493021003 435092185 /nfs/dbraw/zinc/09/21/85/435092185.db2.gz IOFBRGITUNCHFJ-CMDGGOBGSA-N -1 3 306.321 3.118 20 30 DGEDHM C=C(C)CO[N-]C(=O)/C=C\c1c(C)nn(CC(C)C)c1Cl ZINC000493102427 435107766 /nfs/dbraw/zinc/10/77/66/435107766.db2.gz FCWCIIMETCFTQV-SREVYHEPSA-N -1 3 311.813 3.138 20 30 DGEDHM CC#CCC[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000476524010 435237510 /nfs/dbraw/zinc/23/75/10/435237510.db2.gz GUHFORBMTIKFFG-UHFFFAOYSA-N -1 3 311.790 3.086 20 30 DGEDHM C=CC1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000565101681 435276582 /nfs/dbraw/zinc/27/65/82/435276582.db2.gz SOHMCUIRWXTUSX-AWEZNQCLSA-N -1 3 324.218 3.473 20 30 DGEDHM C=CCC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCC1 ZINC000648431999 435296069 /nfs/dbraw/zinc/29/60/69/435296069.db2.gz MHWNPXKLCCDFGZ-UHFFFAOYSA-N -1 3 321.730 3.206 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)ccc1C#N ZINC000567307419 435307130 /nfs/dbraw/zinc/30/71/30/435307130.db2.gz DPBHRAKNYLUNIX-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM N#CC(=C([O-])c1ccc2cncn2c1)c1nc(C2CC2)cs1 ZINC000647379906 436036557 /nfs/dbraw/zinc/03/65/57/436036557.db2.gz XQWBQJFIJAEJMP-CYBMUJFWSA-N -1 3 308.366 3.158 20 30 DGEDHM N#Cc1cccc(CC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1 ZINC000532382322 313544677 /nfs/dbraw/zinc/54/46/77/313544677.db2.gz CIXFGFNZQZRYPF-UHFFFAOYSA-N -1 3 320.270 3.464 20 30 DGEDHM CCCc1cnc([N-]C(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000180277097 323225806 /nfs/dbraw/zinc/22/58/06/323225806.db2.gz UVRQGKYBPLSPQZ-UHFFFAOYSA-N -1 3 307.325 3.498 20 30 DGEDHM Cc1nc(C(=O)[N-]c2c(F)cc(Cl)cc2F)ccc1C#N ZINC000180343742 323227994 /nfs/dbraw/zinc/22/79/94/323227994.db2.gz 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N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])C=CC1CC1 ZINC000744032001 575069213 /nfs/dbraw/zinc/06/92/13/575069213.db2.gz GRBJHNPUXAYQTA-GQOHGMTASA-N -1 3 306.724 3.093 20 30 DGEDHM Cc1cccc(C(C)(C)C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000745020147 575369600 /nfs/dbraw/zinc/36/96/00/575369600.db2.gz BVZCUJDCRYAZDT-KEBDBYFISA-N -1 3 312.413 3.293 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC000745990425 575426611 /nfs/dbraw/zinc/42/66/11/575426611.db2.gz DNUKDVVBHHLCNM-ZAPOXRNSSA-N -1 3 302.418 3.366 20 30 DGEDHM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1nc[n-]n1 ZINC000746140022 575435728 /nfs/dbraw/zinc/43/57/28/575435728.db2.gz YXWXWGIWOIZPSO-UHFFFAOYSA-N -1 3 319.324 3.029 20 30 DGEDHM CCC1N=NC(=S)N1N=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000749443632 575656544 /nfs/dbraw/zinc/65/65/44/575656544.db2.gz NPMWICWWVMEQPT-UHFFFAOYSA-N -1 3 324.409 3.384 20 30 DGEDHM COc1cc(/C=C2\Oc3ccc(F)cc3C2=O)cc(OC)c1[O-] ZINC000749746571 575675007 /nfs/dbraw/zinc/67/50/07/575675007.db2.gz LTUGAXAWAYBONB-CHHVJCJISA-N -1 3 316.284 3.165 20 30 DGEDHM Cc1cc2cc(C=N[N-]c3[nH+]cnc4[n-]cnc43)oc2cc1C ZINC000749814607 575680572 /nfs/dbraw/zinc/68/05/72/575680572.db2.gz FLKDWGPLIONOIX-UHFFFAOYSA-N -1 3 306.329 3.162 20 30 DGEDHM N#CCCN(Cc1c(O)c(C(=O)[O-])cc2ccccc21)CC1CC1 ZINC000739073158 575945594 /nfs/dbraw/zinc/94/55/94/575945594.db2.gz PWVQSOKBAGVRMI-UHFFFAOYSA-N -1 3 324.380 3.369 20 30 DGEDHM COC(=O)N1CCC[C@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000726429020 576021070 /nfs/dbraw/zinc/02/10/70/576021070.db2.gz IQBNKAGYQIRHKA-YRIIZNAFSA-N -1 3 312.369 3.195 20 30 DGEDHM COc1ccc(C=NNc2cccc([N+](=O)[O-])c2C)c([O-])c1 ZINC000727973218 576157042 /nfs/dbraw/zinc/15/70/42/576157042.db2.gz FUSXVUBYPPDZOW-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)ccc1[O-] ZINC000728232488 576170792 /nfs/dbraw/zinc/17/07/92/576170792.db2.gz UOQVHORMOFVXJX-YWEYNIOJSA-N -1 3 323.392 3.433 20 30 DGEDHM CC(=NNC(=S)N[C@H]1CCCC[C@@H]1C)c1ccc([O-])c(F)c1 ZINC000728427672 576181224 /nfs/dbraw/zinc/18/12/24/576181224.db2.gz HKBRCHFJBXGTFO-HZMBPMFUSA-N -1 3 323.437 3.298 20 30 DGEDHM COc1ccc(CNN=Cc2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000917548880 620675194 /nfs/dbraw/zinc/67/51/94/620675194.db2.gz MSMJUEIMBATGEC-UHFFFAOYSA-N -1 3 320.776 3.187 20 30 DGEDHM FC(F)(F)CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccccc1 ZINC000917555692 620675466 /nfs/dbraw/zinc/67/54/66/620675466.db2.gz MGVYBMHQKXBKFX-UHFFFAOYSA-N -1 3 320.278 3.122 20 30 DGEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1oc2ccccc2c1C ZINC000917554643 620675525 /nfs/dbraw/zinc/67/55/25/620675525.db2.gz HTZFUGXHVGTGBB-UHFFFAOYSA-N -1 3 306.329 3.244 20 30 DGEDHM C=CCCCN(CC)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000890815897 617685104 /nfs/dbraw/zinc/68/51/04/617685104.db2.gz RBWWMGMJZWJUOU-UHFFFAOYSA-N -1 3 320.339 3.235 20 30 DGEDHM C#CCC1(O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000895674606 618814529 /nfs/dbraw/zinc/81/45/29/618814529.db2.gz ACSPCQOTUNDLNI-UHFFFAOYSA-N -1 3 314.212 3.049 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC[C@H]2CCc3ccccc32)c1[O-] ZINC000840706489 618975583 /nfs/dbraw/zinc/97/55/83/618975583.db2.gz IERKSAYENVHGQQ-PZUDMAOCSA-N -1 3 310.397 3.127 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CC12CCOCC2 ZINC000840708384 618982054 /nfs/dbraw/zinc/98/20/54/618982054.db2.gz FWIXZSRYJCPXSC-WPBJZHHJSA-N -1 3 310.191 3.143 20 30 DGEDHM CC(C)(CC(=O)[N-]Oc1cccc(C#N)c1)CC(F)(F)F ZINC000881299552 625318023 /nfs/dbraw/zinc/31/80/23/625318023.db2.gz ODUCPFHCLQKGBV-UHFFFAOYSA-N -1 3 300.280 3.337 20 30 DGEDHM CCCCCCCC[C@H](C)C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC000898258442 619229681 /nfs/dbraw/zinc/22/96/81/619229681.db2.gz QMKPIXWVIQCUMC-ZDUSSCGKSA-N -1 3 307.438 3.494 20 30 DGEDHM Cc1cccc([C@H](CC(=O)[O-])NCc2csc(C#N)c2)c1 ZINC000900044915 619396274 /nfs/dbraw/zinc/39/62/74/619396274.db2.gz CGRQVZBNYFWVEH-HNNXBMFYSA-N -1 3 300.383 3.234 20 30 DGEDHM CC#CC[C@H](NCc1ccc(Cl)c(C)c1Cl)C(=O)[O-] ZINC000900047888 619397092 /nfs/dbraw/zinc/39/70/92/619397092.db2.gz YHAOKHYHOCXJRZ-LBPRGKRZSA-N -1 3 300.185 3.258 20 30 DGEDHM O=C(C1CCOCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096682 619404683 /nfs/dbraw/zinc/40/46/83/619404683.db2.gz MDUPZWOWZHGLMK-UHFFFAOYSA-N -1 3 304.173 3.138 20 30 DGEDHM N#CC1(C(=O)N([O-])Cc2ccccc2Cl)CCSCC1 ZINC000900677719 619445039 /nfs/dbraw/zinc/44/50/39/619445039.db2.gz CPOZTBWBIXCUAF-UHFFFAOYSA-N -1 3 310.806 3.095 20 30 DGEDHM O=C(c1ccnn1C1CCC1)N([O-])Cc1ccccc1Cl ZINC000900677709 619445050 /nfs/dbraw/zinc/44/50/50/619445050.db2.gz CERZQMKGSOLZSQ-UHFFFAOYSA-N -1 3 305.765 3.293 20 30 DGEDHM C=C(C)c1cccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000900863057 619456380 /nfs/dbraw/zinc/45/63/80/619456380.db2.gz MXDUJYLYGVPWGT-UHFFFAOYSA-N -1 3 311.385 3.403 20 30 DGEDHM O=C(C[C@H]1OCc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901371921 619490567 /nfs/dbraw/zinc/49/05/67/619490567.db2.gz KSTYLBPZVNUPOH-MRXNPFEDSA-N -1 3 301.317 3.205 20 30 DGEDHM O=C(c1cnc([C@H]2CCCO2)s1)N([O-])Cc1ccc(F)cc1 ZINC000901371331 619490653 /nfs/dbraw/zinc/49/06/53/619490653.db2.gz ALCWLNVFIRXRTL-GFCCVEGCSA-N -1 3 322.361 3.165 20 30 DGEDHM Cc1cc2c(cc1C)[C@H](C(=O)N([O-])Cc1ccc(F)cc1)CO2 ZINC000901372329 619491078 /nfs/dbraw/zinc/49/10/78/619491078.db2.gz CAQNVTPVDJKBTM-MRXNPFEDSA-N -1 3 315.344 3.337 20 30 DGEDHM COc1ccc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)cc1C#N ZINC000904045904 619864228 /nfs/dbraw/zinc/86/42/28/619864228.db2.gz QZRWVFKPQOBLQD-QGZVFWFLSA-N -1 3 324.380 3.181 20 30 DGEDHM C[C@@H]1COCC[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181557 619888823 /nfs/dbraw/zinc/88/88/23/619888823.db2.gz VDTUFVWGRPWRJZ-RNCFNFMXSA-N -1 3 318.200 3.384 20 30 DGEDHM CC(C)(C)n1cc(C(=O)N([O-])Cc2cccc3ccccc32)nn1 ZINC000904171039 619891522 /nfs/dbraw/zinc/89/15/22/619891522.db2.gz IHQVVZONUXLBIO-UHFFFAOYSA-N -1 3 324.384 3.218 20 30 DGEDHM CC(C)(C)OCc1cc(C(=O)N([O-])Cc2ccc(F)cc2)no1 ZINC000904173280 619892183 /nfs/dbraw/zinc/89/21/83/619892183.db2.gz IDPWPPLOHWQQRV-UHFFFAOYSA-N -1 3 322.336 3.160 20 30 DGEDHM CC(C)[C@@H]1C[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904174332 619892449 /nfs/dbraw/zinc/89/24/49/619892449.db2.gz ZIKJNGUXBIJPSF-HOCLYGCPSA-N -1 3 309.381 3.385 20 30 DGEDHM CC(C)[C@H]1C[C@@H](CC(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904174331 619892617 /nfs/dbraw/zinc/89/26/17/619892617.db2.gz ZIKJNGUXBIJPSF-GOEBONIOSA-N -1 3 309.381 3.385 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC000904207134 619893341 /nfs/dbraw/zinc/89/33/41/619893341.db2.gz RMZIUVXKGPFODQ-CABCVRRESA-N -1 3 305.374 3.089 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cc(C(F)(F)F)c[nH]c1=O ZINC000904207398 619893645 /nfs/dbraw/zinc/89/36/45/619893645.db2.gz ZZDYRUFSXMMTJH-UHFFFAOYSA-N -1 3 306.284 3.218 20 30 DGEDHM Cc1noc(C)c1[C@@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188968 619894442 /nfs/dbraw/zinc/89/44/42/619894442.db2.gz USRLZMHCSLQVAM-SECBINFHSA-N -1 3 308.765 3.466 20 30 DGEDHM CC(C)n1ccc(CC(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000904188923 619894617 /nfs/dbraw/zinc/89/46/17/619894617.db2.gz SOHHYLLEYSIXBH-UHFFFAOYSA-N -1 3 307.781 3.078 20 30 DGEDHM Cc1cncc(CCC(=O)N([O-])Cc2ccccc2Cl)c1 ZINC000904193411 619895548 /nfs/dbraw/zinc/89/55/48/619895548.db2.gz OCTXZACDCHUUHX-UHFFFAOYSA-N -1 3 304.777 3.394 20 30 DGEDHM CC[C@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CCO1 ZINC000904197595 619896659 /nfs/dbraw/zinc/89/66/59/619896659.db2.gz IGUYQTTXYZIDFI-IRXDYDNUSA-N -1 3 305.418 3.432 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1nnc(C2CCCC2)o1 ZINC000904204315 619897977 /nfs/dbraw/zinc/89/79/77/619897977.db2.gz JVJRCKFTFVNJDD-UHFFFAOYSA-N -1 3 309.410 3.458 20 30 DGEDHM CCCCCCN([O-])C(=O)C1CCN(c2ccc(C)cn2)CC1 ZINC000904205248 619898006 /nfs/dbraw/zinc/89/80/06/619898006.db2.gz DCFROPUHZMEWGV-UHFFFAOYSA-N -1 3 319.449 3.405 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1nc(C2CCCC2)no1 ZINC000904204460 619898118 /nfs/dbraw/zinc/89/81/18/619898118.db2.gz MEWOPGWIGYIASQ-UHFFFAOYSA-N -1 3 309.410 3.458 20 30 DGEDHM Cc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1-n1cnnn1 ZINC000912975132 620416830 /nfs/dbraw/zinc/41/68/30/620416830.db2.gz FFGRAOXDJCEQRY-UHFFFAOYSA-N -1 3 313.748 3.080 20 30 DGEDHM COc1cc(C=NNc2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC000915962858 620611572 /nfs/dbraw/zinc/61/15/72/620611572.db2.gz XAKOTPQFDIBDQO-UHFFFAOYSA-N -1 3 301.733 3.372 20 30 DGEDHM CCOc1ccc(C=NNc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000916268867 620623389 /nfs/dbraw/zinc/62/33/89/620623389.db2.gz BLDBVGQGYSEULV-UHFFFAOYSA-N -1 3 301.302 3.145 20 30 DGEDHM CC(=NNC(=S)N[C@H]1CCCC[C@H]1C)c1cc(F)ccc1[O-] ZINC000916277985 620624216 /nfs/dbraw/zinc/62/42/16/620624216.db2.gz YGMHQDNPPQBREJ-YGRLFVJLSA-N -1 3 323.437 3.298 20 30 DGEDHM CCOC(=O)N1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000920943746 620828577 /nfs/dbraw/zinc/82/85/77/620828577.db2.gz GYAPYCPNKZFOEN-YVLHZVERSA-N -1 3 310.781 3.085 20 30 DGEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000855169685 620876174 /nfs/dbraw/zinc/87/61/74/620876174.db2.gz BHFDCQFJEDHJRD-JSGCOSHPSA-N -1 3 311.385 3.200 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NCc2ccc([O-])c(F)c2)o1 ZINC000755672016 620887862 /nfs/dbraw/zinc/88/78/62/620887862.db2.gz IYVJXXNRJFYETH-UHFFFAOYSA-N -1 3 302.309 3.035 20 30 DGEDHM C#CCO[N-]C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000855604014 620917529 /nfs/dbraw/zinc/91/75/29/620917529.db2.gz XOOVCSSVGUSFCX-QWHCGFSZSA-N -1 3 312.394 3.027 20 30 DGEDHM C=CCCO[N-]C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000856029455 620955356 /nfs/dbraw/zinc/95/53/56/620955356.db2.gz OHPNQQYYCGAXQM-UHFFFAOYSA-N -1 3 300.358 3.207 20 30 DGEDHM C=CCCO[N-]C(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000856034307 620955754 /nfs/dbraw/zinc/95/57/54/620955754.db2.gz DFUJQMMRGLWORD-INIZCTEOSA-N -1 3 305.418 3.422 20 30 DGEDHM Cc1sc2[n-]c([C@H](C)OC(=O)C#CC3CC3)nc(=O)c2c1C ZINC000838369479 621242608 /nfs/dbraw/zinc/24/26/08/621242608.db2.gz PTSQBEISFBEFIQ-VIFPVBQESA-N -1 3 316.382 3.031 20 30 DGEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc(C#N)o3)sc2C1 ZINC000839217719 621352279 /nfs/dbraw/zinc/35/22/79/621352279.db2.gz YJIJCAQRKGHTRW-VIFPVBQESA-N -1 3 311.366 3.462 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(C3CCC3)cc2)c1[O-] ZINC000754823055 621535293 /nfs/dbraw/zinc/53/52/93/621535293.db2.gz YPZADDRCQXPFHD-RGVLZGJSSA-N -1 3 310.397 3.475 20 30 DGEDHM Cc1ccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1F ZINC000755032616 621547956 /nfs/dbraw/zinc/54/79/56/621547956.db2.gz ZLQMVORHQAZUGE-VNQCRBAESA-N -1 3 302.349 3.216 20 30 DGEDHM N#CCCN(Cc1c([O-])cccc1Br)CC1CC1 ZINC000862239064 621565589 /nfs/dbraw/zinc/56/55/89/621565589.db2.gz UEKOFSYUZMOGME-UHFFFAOYSA-N -1 3 309.207 3.280 20 30 DGEDHM C[C@@H](C#N)CN(Cc1c([O-])cccc1Br)C1CC1 ZINC000862251197 621567971 /nfs/dbraw/zinc/56/79/71/621567971.db2.gz XMJKGBSFCLBWMY-JTQLQIEISA-N -1 3 309.207 3.279 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCC3CCC(C#N)CC3)n[n-]2)o1 ZINC000755976343 621607551 /nfs/dbraw/zinc/60/75/51/621607551.db2.gz WQWMINCUWHYUQE-UHFFFAOYSA-N -1 3 313.357 3.465 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCC3CCC(C#N)CC3)[n-]n2)o1 ZINC000755976343 621607554 /nfs/dbraw/zinc/60/75/54/621607554.db2.gz WQWMINCUWHYUQE-UHFFFAOYSA-N -1 3 313.357 3.465 20 30 DGEDHM C=CCC[C@@H](NCc1csc(-c2ccsc2)n1)C(=O)[O-] ZINC000756385306 621633964 /nfs/dbraw/zinc/63/39/64/621633964.db2.gz GIWHAVLKWHQZGQ-GFCCVEGCSA-N -1 3 308.428 3.381 20 30 DGEDHM CCc1ccc(C(=O)N(C)CCc2cccc(C#N)c2)c([O-])c1 ZINC000863440422 621673907 /nfs/dbraw/zinc/67/39/07/621673907.db2.gz VFFMVHOASNLALV-UHFFFAOYSA-N -1 3 308.381 3.141 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC=C(c2ccc(C#N)cc2[O-])C1 ZINC000863713120 621702609 /nfs/dbraw/zinc/70/26/09/621702609.db2.gz JBYISXRKSULWAQ-UHFFFAOYSA-N -1 3 300.358 3.288 20 30 DGEDHM CC(=NNc1nc2ccccc2c(=O)[nH]1)c1cc(F)ccc1[O-] ZINC000757583958 621726700 /nfs/dbraw/zinc/72/67/00/621726700.db2.gz PMJHLOVDCPQGPZ-UHFFFAOYSA-N -1 3 312.304 3.016 20 30 DGEDHM CCC(N=Nc1nc2ccccc2c(=O)[n-]1)c1ccc(O)cc1 ZINC000757589133 621726935 /nfs/dbraw/zinc/72/69/35/621726935.db2.gz JYANIRSJVBKBGK-UHFFFAOYSA-N -1 3 308.341 3.267 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)c2ccncn2)cc1-n1cccc1 ZINC000760338582 621933463 /nfs/dbraw/zinc/93/34/63/621933463.db2.gz FDQLOSWJZYPDND-HNNXBMFYSA-N -1 3 302.337 3.066 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cccc(O)c2)c(OC)cc1[O-] ZINC000122489296 622335349 /nfs/dbraw/zinc/33/53/49/622335349.db2.gz WEMXHAHUKHTKPY-VOTSOKGWSA-N -1 3 300.310 3.011 20 30 DGEDHM C#CCCN(Cc1c([O-])ccc2ccncc21)CC(F)(F)F ZINC000767498329 622402495 /nfs/dbraw/zinc/40/24/95/622402495.db2.gz QCFNHKHDJPNLHB-UHFFFAOYSA-N -1 3 308.303 3.328 20 30 DGEDHM CCCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)s1 ZINC000870162581 622437819 /nfs/dbraw/zinc/43/78/19/622437819.db2.gz JVUPXWDWYUVOOV-GFCCVEGCSA-N -1 3 313.382 3.057 20 30 DGEDHM N#CC[C@@H](CC(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871215827 622572462 /nfs/dbraw/zinc/57/24/62/622572462.db2.gz LGQSZGDDWZGPEH-ZDUSSCGKSA-N -1 3 314.307 3.464 20 30 DGEDHM COc1ccc(CCC(=O)[N-]O[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000871798411 622702382 /nfs/dbraw/zinc/70/23/82/622702382.db2.gz VEKXDVDKGZSEQS-AWEZNQCLSA-N -1 3 324.380 3.308 20 30 DGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1c(F)cccc1F ZINC000790074615 625600511 /nfs/dbraw/zinc/60/05/11/625600511.db2.gz QZYXBAGODNTICB-SECBINFHSA-N -1 3 303.264 3.460 20 30 DGEDHM COc1cc(C#N)ccc1COC(=O)c1cccc(Cl)c1[O-] ZINC000775935512 623353809 /nfs/dbraw/zinc/35/38/09/623353809.db2.gz ZNINXRGJPUWGFB-UHFFFAOYSA-N -1 3 317.728 3.283 20 30 DGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2occ3c2CCC3)c1 ZINC000796789279 626083429 /nfs/dbraw/zinc/08/34/29/626083429.db2.gz NBMGWBBLEBVHMA-HNNXBMFYSA-N -1 3 308.337 3.038 20 30 DGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccoc2C2CC2)c1 ZINC000798815832 626247445 /nfs/dbraw/zinc/24/74/45/626247445.db2.gz DIKHHGHVRIJNLY-HNNXBMFYSA-N -1 3 308.337 3.427 20 30 DGEDHM CCON=C(C)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799874752 626332658 /nfs/dbraw/zinc/33/26/58/626332658.db2.gz YUVQUWQDISBNEI-UHFFFAOYSA-N -1 3 309.163 3.051 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3ccc(Cl)nc3)[nH]c21 ZINC000802089842 626431092 /nfs/dbraw/zinc/43/10/92/626431092.db2.gz VFMDGZKPVXYYMD-NSHDSACASA-N -1 3 310.744 3.410 20 30 DGEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000802227776 626436174 /nfs/dbraw/zinc/43/61/74/626436174.db2.gz LLBDUFYFBZWXSI-ZDUSSCGKSA-N -1 3 302.337 3.132 20 30 DGEDHM CC(C)c1nc(C#N)c(N=NC(C)c2c([O-])cccc2F)o1 ZINC000884424940 626878769 /nfs/dbraw/zinc/87/87/69/626878769.db2.gz POLYYDMDYXICAN-UHFFFAOYSA-N -1 3 302.309 3.350 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2c([O-])cccc2F)o1 ZINC000884424609 626878928 /nfs/dbraw/zinc/87/89/28/626878928.db2.gz BZIMCRDKZATVJU-UHFFFAOYSA-N -1 3 316.336 3.426 20 30 DGEDHM CC(=NN[C@@H](C)COc1ccccc1)c1ccc([O-])cc1F ZINC000811666822 627303677 /nfs/dbraw/zinc/30/36/77/627303677.db2.gz KSKRMKKPMDYJCH-LBPRGKRZSA-N -1 3 302.349 3.312 20 30 DGEDHM C[C@H](COc1ccccc1)NN=Cc1c([O-])cccc1Cl ZINC000811668630 627304260 /nfs/dbraw/zinc/30/42/60/627304260.db2.gz RAPXUJUMUZTAPW-GFCCVEGCSA-N -1 3 304.777 3.437 20 30 DGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1 ZINC000812751424 627416306 /nfs/dbraw/zinc/41/63/06/627416306.db2.gz USPFHHVDBDBGBZ-OAHLLOKOSA-N -1 3 303.283 3.408 20 30 DGEDHM CCCCC1(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000889532731 627433488 /nfs/dbraw/zinc/43/34/88/627433488.db2.gz QIEKCCHNROZLHZ-UHFFFAOYSA-N -1 3 315.417 3.047 20 30 DGEDHM CCC/C=C\COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000813909043 627520347 /nfs/dbraw/zinc/52/03/47/627520347.db2.gz KRDKEQKHQVMVIL-SREVYHEPSA-N -1 3 302.374 3.108 20 30 DGEDHM [O-]c1cc(F)c(Cl)cc1C=NNc1ccc(Cl)nn1 ZINC000814698096 627584715 /nfs/dbraw/zinc/58/47/15/627584715.db2.gz QHWDYWOCSWRVGO-UHFFFAOYSA-N -1 3 301.108 3.074 20 30 DGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCC12CCCC2 ZINC000814859480 627599391 /nfs/dbraw/zinc/59/93/91/627599391.db2.gz WKAFIBKZDAMMCT-UHFFFAOYSA-N -1 3 320.458 3.249 20 30 DGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C(F)=CC1CCCCC1 ZINC000815915305 627712726 /nfs/dbraw/zinc/71/27/26/627712726.db2.gz KKODFHFUZAFCKS-ODUNQGDFSA-N -1 3 315.348 3.163 20 30 DGEDHM CC[C@@H](NCc1nccc(OC)c1F)c1cccc(C#N)c1[O-] ZINC000926703396 627936209 /nfs/dbraw/zinc/93/62/09/627936209.db2.gz PBMKQGRGBPXHEK-CYBMUJFWSA-N -1 3 315.348 3.047 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)C(=O)CCCC3)c1[O-] ZINC000817708061 627936828 /nfs/dbraw/zinc/93/68/28/627936828.db2.gz RUELAINUUVWQLW-UHFFFAOYSA-N -1 3 324.380 3.248 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)C1CCC1 ZINC000817751740 627945369 /nfs/dbraw/zinc/94/53/69/627945369.db2.gz IAIONGWOXXISCJ-NSHDSACASA-N -1 3 316.401 3.188 20 30 DGEDHM CC(CC1CC1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820231631 628237779 /nfs/dbraw/zinc/23/77/79/628237779.db2.gz CLUKYLMHOUWBFL-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC(CC1CC1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820231631 628237783 /nfs/dbraw/zinc/23/77/83/628237783.db2.gz CLUKYLMHOUWBFL-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC(Cc1cccc(F)c1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820298807 628243988 /nfs/dbraw/zinc/24/39/88/628243988.db2.gz AMLZIIKDISNLLI-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM CC(Cc1cccc(F)c1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820298807 628243990 /nfs/dbraw/zinc/24/39/90/628243990.db2.gz AMLZIIKDISNLLI-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM CCCCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821051120 628331987 /nfs/dbraw/zinc/33/19/87/628331987.db2.gz YIPRCHAILUTSRM-UHFFFAOYSA-N -1 3 301.394 3.474 20 30 DGEDHM CCCCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821051120 628331990 /nfs/dbraw/zinc/33/19/90/628331990.db2.gz YIPRCHAILUTSRM-UHFFFAOYSA-N -1 3 301.394 3.474 20 30 DGEDHM Cc1cc(C)cc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822197459 628429145 /nfs/dbraw/zinc/42/91/45/628429145.db2.gz BTHVOCRHDSMKKA-UHFFFAOYSA-N -1 3 310.336 3.069 20 30 DGEDHM Cc1cc(C)cc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822197459 628429146 /nfs/dbraw/zinc/42/91/46/628429146.db2.gz BTHVOCRHDSMKKA-UHFFFAOYSA-N -1 3 310.336 3.069 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822284444 628436572 /nfs/dbraw/zinc/43/65/72/628436572.db2.gz RUILDXJRJWPRSW-FPLPWBNLSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822284444 628436573 /nfs/dbraw/zinc/43/65/73/628436573.db2.gz RUILDXJRJWPRSW-FPLPWBNLSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000822340746 628442329 /nfs/dbraw/zinc/44/23/29/628442329.db2.gz GAGXBTQYPANNQP-JXMROGBWSA-N -1 3 308.366 3.059 20 30 DGEDHM Clc1cccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822585775 628468141 /nfs/dbraw/zinc/46/81/41/628468141.db2.gz NFZKYHWSDZEVRD-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM N#Cc1cc(CSc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000822819474 628498626 /nfs/dbraw/zinc/49/86/26/628498626.db2.gz SXKREWIXZULBPA-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cc(CSc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000822819474 628498628 /nfs/dbraw/zinc/49/86/28/628498628.db2.gz SXKREWIXZULBPA-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cc(NC(=O)CCCC2CCCC2)ccc1-c1nnn[n-]1 ZINC000822822673 628499321 /nfs/dbraw/zinc/49/93/21/628499321.db2.gz AXJOXNRTRSTDRJ-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1cc(NC(=O)CCCC2CCCC2)ccc1-c1nn[n-]n1 ZINC000822822673 628499323 /nfs/dbraw/zinc/49/93/23/628499323.db2.gz AXJOXNRTRSTDRJ-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1ccccc1SCc1cc(-c2nnn[n-]2)ccc1F ZINC000822842441 628501110 /nfs/dbraw/zinc/50/11/10/628501110.db2.gz IKHPYADMNGMRAE-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1cc(-c2nn[n-]n2)ccc1F ZINC000822842441 628501111 /nfs/dbraw/zinc/50/11/11/628501111.db2.gz IKHPYADMNGMRAE-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822842763 628501296 /nfs/dbraw/zinc/50/12/96/628501296.db2.gz XOGPCWWBBRQTJO-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822842763 628501299 /nfs/dbraw/zinc/50/12/99/628501299.db2.gz XOGPCWWBBRQTJO-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC000822921911 628509632 /nfs/dbraw/zinc/50/96/32/628509632.db2.gz AATPVAWAFIDFOK-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC000822921911 628509635 /nfs/dbraw/zinc/50/96/35/628509635.db2.gz AATPVAWAFIDFOK-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(Cl)c1 ZINC000822924144 628509888 /nfs/dbraw/zinc/50/98/88/628509888.db2.gz YLQIRLNTFPTKBZ-XQRVVYSFSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823504940 628570204 /nfs/dbraw/zinc/57/02/04/628570204.db2.gz VUUFPARBOGWSMG-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000823504940 628570206 /nfs/dbraw/zinc/57/02/06/628570206.db2.gz VUUFPARBOGWSMG-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM C#CCCCCCC(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC000823841633 628601555 /nfs/dbraw/zinc/60/15/55/628601555.db2.gz RCDFNYXSKLFXCR-UHFFFAOYSA-N -1 3 317.418 3.013 20 30 DGEDHM C#CCCCCCC(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC000823841633 628601557 /nfs/dbraw/zinc/60/15/57/628601557.db2.gz RCDFNYXSKLFXCR-UHFFFAOYSA-N -1 3 317.418 3.013 20 30 DGEDHM C=CCC[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)C1CC1 ZINC000823894447 628607888 /nfs/dbraw/zinc/60/78/88/628607888.db2.gz QLESXNQVWHMEOE-HNNXBMFYSA-N -1 3 312.373 3.077 20 30 DGEDHM C=CCC[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)C1CC1 ZINC000823894447 628607892 /nfs/dbraw/zinc/60/78/92/628607892.db2.gz QLESXNQVWHMEOE-HNNXBMFYSA-N -1 3 312.373 3.077 20 30 DGEDHM C=CCN(Cc1cccs1)Cc1cc(-c2nnn[n-]2)cs1 ZINC000823919440 628610365 /nfs/dbraw/zinc/61/03/65/628610365.db2.gz FROYXQWCALFJOK-UHFFFAOYSA-N -1 3 317.443 3.178 20 30 DGEDHM C=CCN(Cc1cccs1)Cc1cc(-c2nn[n-]n2)cs1 ZINC000823919440 628610369 /nfs/dbraw/zinc/61/03/69/628610369.db2.gz FROYXQWCALFJOK-UHFFFAOYSA-N -1 3 317.443 3.178 20 30 DGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C)o1 ZINC000823958521 628614091 /nfs/dbraw/zinc/61/40/91/628614091.db2.gz PMHNTJYRTDCRAV-UHFFFAOYSA-N -1 3 316.752 3.258 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C)o1 ZINC000823958521 628614092 /nfs/dbraw/zinc/61/40/92/628614092.db2.gz PMHNTJYRTDCRAV-UHFFFAOYSA-N -1 3 316.752 3.258 20 30 DGEDHM CC(=NNc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962303 628614252 /nfs/dbraw/zinc/61/42/52/628614252.db2.gz JCTNDQQLLQZANX-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM C[C@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824385734 628656656 /nfs/dbraw/zinc/65/66/56/628656656.db2.gz ZZBMIWGHXJSHMH-LLVKDONJSA-N -1 3 310.336 3.207 20 30 DGEDHM C[C@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824385734 628656660 /nfs/dbraw/zinc/65/66/60/628656660.db2.gz ZZBMIWGHXJSHMH-LLVKDONJSA-N -1 3 310.336 3.207 20 30 DGEDHM C[C@@H]1CCC[C@@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824925188 628707118 /nfs/dbraw/zinc/70/71/18/628707118.db2.gz BLSKOUOWQLVTKU-NXEZZACHSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCC[C@@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824925188 628707119 /nfs/dbraw/zinc/70/71/19/628707119.db2.gz BLSKOUOWQLVTKU-NXEZZACHSA-N -1 3 319.800 3.139 20 30 DGEDHM CC[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825195717 628737143 /nfs/dbraw/zinc/73/71/43/628737143.db2.gz YGTPLHJRDRHLSG-VIFPVBQESA-N -1 3 304.785 3.498 20 30 DGEDHM CC[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825195717 628737144 /nfs/dbraw/zinc/73/71/44/628737144.db2.gz YGTPLHJRDRHLSG-VIFPVBQESA-N -1 3 304.785 3.498 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825632029 628779356 /nfs/dbraw/zinc/77/93/56/628779356.db2.gz JRDAWSCMVXFIHM-XFXZXTDPSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825632029 628779358 /nfs/dbraw/zinc/77/93/58/628779358.db2.gz JRDAWSCMVXFIHM-XFXZXTDPSA-N -1 3 320.352 3.162 20 30 DGEDHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccccc1C#N ZINC000826173608 628831759 /nfs/dbraw/zinc/83/17/59/628831759.db2.gz LXBJJHZZLWCECV-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccccc1C#N ZINC000826173608 628831761 /nfs/dbraw/zinc/83/17/61/628831761.db2.gz LXBJJHZZLWCECV-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000826288908 628839624 /nfs/dbraw/zinc/83/96/24/628839624.db2.gz BMUFRWYPDRQBPF-HWKANZROSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000826288908 628839628 /nfs/dbraw/zinc/83/96/28/628839628.db2.gz BMUFRWYPDRQBPF-HWKANZROSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826289373 628839741 /nfs/dbraw/zinc/83/97/41/628839741.db2.gz XQOCRNKGECXOAO-WEVVVXLNSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289373 628839743 /nfs/dbraw/zinc/83/97/43/628839743.db2.gz XQOCRNKGECXOAO-WEVVVXLNSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000826294084 628840845 /nfs/dbraw/zinc/84/08/45/628840845.db2.gz ILAUMTPDJRHARD-KPKJPENVSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000826294084 628840848 /nfs/dbraw/zinc/84/08/48/628840848.db2.gz ILAUMTPDJRHARD-KPKJPENVSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826306125 628843805 /nfs/dbraw/zinc/84/38/05/628843805.db2.gz QVRXNGILKQPZJY-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826306125 628843806 /nfs/dbraw/zinc/84/38/06/628843806.db2.gz QVRXNGILKQPZJY-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000826401037 628851918 /nfs/dbraw/zinc/85/19/18/628851918.db2.gz NOYVGEOXNBTBCX-WAPJZHGLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826401037 628851922 /nfs/dbraw/zinc/85/19/22/628851922.db2.gz NOYVGEOXNBTBCX-WAPJZHGLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476352 628852625 /nfs/dbraw/zinc/85/26/25/628852625.db2.gz GBLVBQAGKKEQCM-FLIBITNWSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476352 628852628 /nfs/dbraw/zinc/85/26/28/628852628.db2.gz GBLVBQAGKKEQCM-FLIBITNWSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475480 628853085 /nfs/dbraw/zinc/85/30/85/628853085.db2.gz GZTYDKSNESMKRJ-MDWZMJQESA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475480 628853086 /nfs/dbraw/zinc/85/30/86/628853086.db2.gz GZTYDKSNESMKRJ-MDWZMJQESA-N -1 3 320.327 3.218 20 30 DGEDHM C[C@H](C(=O)[N-][C@@H](c1cccc(C#N)c1)C(F)(F)F)C(F)(F)F ZINC000831106539 629338849 /nfs/dbraw/zinc/33/88/49/629338849.db2.gz MXFLDWSTMWTZQS-XCBNKYQSSA-N -1 3 324.224 3.476 20 30 DGEDHM N#Cc1cccc([C@@H]([N-]C(=O)CC(F)(F)F)C(F)(F)F)c1 ZINC000831112322 629339884 /nfs/dbraw/zinc/33/98/84/629339884.db2.gz KNBCSOXTSVOURF-SNVBAGLBSA-N -1 3 310.197 3.230 20 30 DGEDHM COc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832532571 629494454 /nfs/dbraw/zinc/49/44/54/629494454.db2.gz CYAKXCQFKOZTHA-SJKOYZFVSA-N -1 3 310.353 3.043 20 30 DGEDHM COc1cccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832532570 629494630 /nfs/dbraw/zinc/49/46/30/629494630.db2.gz CYAKXCQFKOZTHA-SJCJKPOMSA-N -1 3 310.353 3.043 20 30 DGEDHM Cc1cc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000832870775 629524838 /nfs/dbraw/zinc/52/48/38/629524838.db2.gz LPLJWZCDBOBYSM-SJCJKPOMSA-N -1 3 312.344 3.482 20 30 DGEDHM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832921053 629532965 /nfs/dbraw/zinc/53/29/65/629532965.db2.gz JWUMUHZVJFCDLL-SJCJKPOMSA-N -1 3 312.344 3.482 20 30 DGEDHM Cc1cccnc1[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)C(C)C ZINC000832983572 629545321 /nfs/dbraw/zinc/54/53/21/629545321.db2.gz KUVWWDYJUFJRKA-WMZOPIPTSA-N -1 3 323.396 3.374 20 30 DGEDHM N#Cc1cccc([C@H](NCc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000833074541 629555120 /nfs/dbraw/zinc/55/51/20/629555120.db2.gz AEWUTFGXKVQSSR-HNNXBMFYSA-N -1 3 300.745 3.127 20 30 DGEDHM C=CCOc1ccc(CN2CCC[C@H]2CC(=O)[O-])cc1Cl ZINC000833377926 629594748 /nfs/dbraw/zinc/59/47/48/629594748.db2.gz QQZNLPITBDROKV-ZDUSSCGKSA-N -1 3 309.793 3.344 20 30 DGEDHM C[C@@H](Oc1ccc(CN(C)Cc2ccc(C#N)cc2)cc1)C(=O)[O-] ZINC000833536724 629616955 /nfs/dbraw/zinc/61/69/55/629616955.db2.gz DKOIOPYPHXOOEX-CQSZACIVSA-N -1 3 324.380 3.042 20 30 DGEDHM C=CCO[N-]C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000837043496 630206093 /nfs/dbraw/zinc/20/60/93/630206093.db2.gz LWSWXIZUXRPDOM-UHFFFAOYSA-N -1 3 304.173 3.386 20 30 DGEDHM C=CC[C@@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000837650389 630292446 /nfs/dbraw/zinc/29/24/46/630292446.db2.gz CKHWHMHVVLVGRX-MRXNPFEDSA-N -1 3 324.380 3.463 20 30 DGEDHM C[C@H](C#N)OCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000842185007 630503997 /nfs/dbraw/zinc/50/39/97/630503997.db2.gz WTUBHUYICYLDOZ-GFCCVEGCSA-N -1 3 315.398 3.011 20 30 DGEDHM C=C(C)CON=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000844615601 630743671 /nfs/dbraw/zinc/74/36/71/630743671.db2.gz VJOQIEPHCNTFAK-UHFFFAOYSA-N -1 3 314.179 3.480 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1ccccc1F ZINC000845839051 631198493 /nfs/dbraw/zinc/19/84/93/631198493.db2.gz ZTOOFHBGFXZSOK-MRXNPFEDSA-N -1 3 321.351 3.378 20 30 DGEDHM C=C(C)CO[N-]C(=O)CC(C)(C)CC(=O)c1ccc(OC)cc1 ZINC000846536282 631256240 /nfs/dbraw/zinc/25/62/40/631256240.db2.gz ZWUYIPJALDCSIE-UHFFFAOYSA-N -1 3 319.401 3.308 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCCCC(=O)c1ccc(OC)cc1 ZINC000846535709 631256393 /nfs/dbraw/zinc/25/63/93/631256393.db2.gz LCCNUJOSOCGCLW-UHFFFAOYSA-N -1 3 305.374 3.062 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCCc1ccc(Br)s1 ZINC000846537930 631256992 /nfs/dbraw/zinc/25/69/92/631256992.db2.gz OQMVHEBNFOKYKD-UHFFFAOYSA-N -1 3 318.236 3.457 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1ccccc1OC(F)(F)F ZINC000846539424 631257368 /nfs/dbraw/zinc/25/73/68/631257368.db2.gz XBDVPWYTLWNGCU-UHFFFAOYSA-N -1 3 303.280 3.142 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)C2CCC(F)(F)CC2)c1[O-] ZINC000846757114 631296666 /nfs/dbraw/zinc/29/66/66/631296666.db2.gz SPBLRGYLEHXASW-OTWRLEFPSA-N -1 3 312.360 3.221 20 30 DGEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@]1(C#N)CC1(C)C ZINC000847058205 631393055 /nfs/dbraw/zinc/39/30/55/631393055.db2.gz KCIMEGJGJRFHOR-INIZCTEOSA-N -1 3 322.355 3.374 20 30 DGEDHM Cc1cc(F)ccc1C[C@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000849171191 631852621 /nfs/dbraw/zinc/85/26/21/631852621.db2.gz ZMFGFKXSTACEHN-CATAHAEOSA-N -1 3 316.376 3.086 20 30 DGEDHM COc1cc(C(=O)/C=C\c2c(C3CCC3)cnn2C)ccc1[O-] ZINC000849243549 631862464 /nfs/dbraw/zinc/86/24/64/631862464.db2.gz UYSHLIWPIAYFPJ-CLFYSBASSA-N -1 3 312.369 3.298 20 30 DGEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cnsn1 ZINC000108981679 632003420 /nfs/dbraw/zinc/00/34/20/632003420.db2.gz JRNKHJSMMUMRLC-SECBINFHSA-N -1 3 304.400 3.185 20 30 DGEDHM C=CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)COC ZINC000852358099 632594831 /nfs/dbraw/zinc/59/48/31/632594831.db2.gz MKBJGIIQJVSOOL-NSHDSACASA-N -1 3 311.809 3.271 20 30 DGEDHM CN(C)Cc1cnc(/C=C2\CCc3cc([O-])ccc3C2=O)s1 ZINC000794709299 661100456 /nfs/dbraw/zinc/10/04/56/661100456.db2.gz YGABBWWGDRTJAL-XYOKQWHBSA-N -1 3 314.410 3.123 20 30 DGEDHM O=C1c2ccc(F)cc2OC/C1=C/c1c(F)ccc([O-])c1F ZINC000794729225 661102350 /nfs/dbraw/zinc/10/23/50/661102350.db2.gz ZNPQNTIVJJGGGS-YVMONPNESA-N -1 3 306.239 3.468 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2cccc(OC(F)(F)F)c2)c1O ZINC000255110677 655600419 /nfs/dbraw/zinc/60/04/19/655600419.db2.gz RRAVDWSOBZONCI-UHFFFAOYSA-N -1 3 313.231 3.453 20 30 DGEDHM CN(C)C(=O)C1(C/N=C\c2cc(Cl)ccc2[O-])CCCC1 ZINC000255207386 655646756 /nfs/dbraw/zinc/64/67/56/655646756.db2.gz VKLXICMPFNTMBL-ZDLGFXPLSA-N -1 3 308.809 3.113 20 30 DGEDHM Cc1nnnn1-c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255268012 655675386 /nfs/dbraw/zinc/67/53/86/655675386.db2.gz HZVJFFWGYNLGBO-UHFFFAOYSA-N -1 3 313.748 3.080 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N\C1CCSCC1 ZINC000255316195 655697906 /nfs/dbraw/zinc/69/79/06/655697906.db2.gz SLKBTVXYPRQTAX-ZSOIEALJSA-N -1 3 300.221 3.469 20 30 DGEDHM CC[C@H](CC#N)NCc1cc(Br)cc(F)c1[O-] ZINC000715744585 661214283 /nfs/dbraw/zinc/21/42/83/661214283.db2.gz FZUAHZQSBMPYDJ-SNVBAGLBSA-N -1 3 301.159 3.076 20 30 DGEDHM C=C(C)CN1Cc2ccc(CNC(=O)c3ccccc3[O-])cc2C1 ZINC001054254821 656951729 /nfs/dbraw/zinc/95/17/29/656951729.db2.gz JSZPTRKEGYUEBC-UHFFFAOYSA-N -1 3 322.408 3.214 20 30 DGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)C1=NO[C@@H](c2ccccc2)C1 ZINC000097373745 657635159 /nfs/dbraw/zinc/63/51/59/657635159.db2.gz HTTKBIJQTCRFHM-CYBMUJFWSA-N -1 3 323.312 3.170 20 30 DGEDHM COc1ccc2ccc([O-])c(CN(CCC#N)CCC#N)c2c1 ZINC000016079460 658303130 /nfs/dbraw/zinc/30/31/30/658303130.db2.gz ZVRGKTZCLCVGHW-UHFFFAOYSA-N -1 3 309.369 3.183 20 30 DGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccsc1 ZINC000128958548 658810065 /nfs/dbraw/zinc/81/00/65/658810065.db2.gz KZSOTCAYLZWVKO-GFCCVEGCSA-N -1 3 314.366 3.108 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C)s1 ZINC000129790337 659105283 /nfs/dbraw/zinc/10/52/83/659105283.db2.gz IADFOXMQJPYFJS-LLVKDONJSA-N -1 3 314.366 3.026 20 30 DGEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000233357648 659917893 /nfs/dbraw/zinc/91/78/93/659917893.db2.gz ZMVWUZPYEUCFGW-SNVBAGLBSA-N -1 3 306.214 3.074 20 30 DGEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccccc2[O-])c1 ZINC000071056676 660104734 /nfs/dbraw/zinc/10/47/34/660104734.db2.gz UEKOMUIWWKQKKO-CQSZACIVSA-N -1 3 310.353 3.003 20 30 DGEDHM COc1cc(/C=C/C(=O)c2cncc(F)c2)cc(Cl)c1[O-] ZINC000078023049 662049948 /nfs/dbraw/zinc/04/99/48/662049948.db2.gz BYELPUQLOHLWMD-NSCUHMNNSA-N -1 3 307.708 3.484 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C#N)cc3)n[n-]2)o1 ZINC000194065660 662156221 /nfs/dbraw/zinc/15/62/21/662156221.db2.gz DRJOVMIJBLIKHV-UHFFFAOYSA-N -1 3 307.309 3.207 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C#N)cc3)[n-]n2)o1 ZINC000194065660 662156222 /nfs/dbraw/zinc/15/62/22/662156222.db2.gz DRJOVMIJBLIKHV-UHFFFAOYSA-N -1 3 307.309 3.207 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001586151932 1192312006 /nfs/dbraw/zinc/31/20/06/1192312006.db2.gz FCHQUXKOCAVOLV-KRWDZBQOSA-N -1 3 315.373 3.280 20 30 DGEDHM C(#Cc1ccccc1)CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588379688 1192446238 /nfs/dbraw/zinc/44/62/38/1192446238.db2.gz LZNJQBPAMBYEHR-UHFFFAOYSA-N -1 3 315.380 3.208 20 30 DGEDHM C(#Cc1ccccc1)CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588379688 1192446241 /nfs/dbraw/zinc/44/62/41/1192446241.db2.gz LZNJQBPAMBYEHR-UHFFFAOYSA-N -1 3 315.380 3.208 20 30 DGEDHM N#CCc1cccc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001588722754 1192452873 /nfs/dbraw/zinc/45/28/73/1192452873.db2.gz QBQRAKBELGFNOZ-UHFFFAOYSA-N -1 3 309.350 3.320 20 30 DGEDHM CC(C)(C#N)CCCCSc1ccncc1-c1nnn[n-]1 ZINC001589034086 1192456182 /nfs/dbraw/zinc/45/61/82/1192456182.db2.gz QZKHUOAOGBFRRO-UHFFFAOYSA-N -1 3 302.407 3.074 20 30 DGEDHM CC(C)(C#N)CCCCSc1ccncc1-c1nn[n-]n1 ZINC001589034086 1192456183 /nfs/dbraw/zinc/45/61/83/1192456183.db2.gz QZKHUOAOGBFRRO-UHFFFAOYSA-N -1 3 302.407 3.074 20 30 DGEDHM C[C@@H](Nc1cc(F)ccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589979902 1192479202 /nfs/dbraw/zinc/47/92/02/1192479202.db2.gz BWCMNOUDWZXESY-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1cc(F)ccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589979902 1192479204 /nfs/dbraw/zinc/47/92/04/1192479204.db2.gz BWCMNOUDWZXESY-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001589984904 1192481237 /nfs/dbraw/zinc/48/12/37/1192481237.db2.gz XLEIUFSFLJYHDW-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001589984904 1192481240 /nfs/dbraw/zinc/48/12/40/1192481240.db2.gz XLEIUFSFLJYHDW-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@]1(CN=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCS1 ZINC001590120585 1192488705 /nfs/dbraw/zinc/48/87/05/1192488705.db2.gz QXUKREVFHZDHEW-ZDUSSCGKSA-N -1 3 322.825 3.204 20 30 DGEDHM C[C@@]1(CN=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCS1 ZINC001590120585 1192488714 /nfs/dbraw/zinc/48/87/14/1192488714.db2.gz QXUKREVFHZDHEW-ZDUSSCGKSA-N -1 3 322.825 3.204 20 30 DGEDHM C[C@@H]1CCC[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)[C@H]1C ZINC001590244094 1192497651 /nfs/dbraw/zinc/49/76/51/1192497651.db2.gz RNBMBKVSHHURQM-MBNYWOFBSA-N -1 3 310.405 3.223 20 30 DGEDHM C[C@@H]1CCC[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)[C@H]1C ZINC001590244094 1192497652 /nfs/dbraw/zinc/49/76/52/1192497652.db2.gz RNBMBKVSHHURQM-MBNYWOFBSA-N -1 3 310.405 3.223 20 30 DGEDHM CC[C@@H](C#N)Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001590367986 1192503122 /nfs/dbraw/zinc/50/31/22/1192503122.db2.gz QJQOXSVWYLFVLY-ZETCQYMHSA-N -1 3 313.308 3.280 20 30 DGEDHM CC[C@@H](C#N)Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001590367986 1192503126 /nfs/dbraw/zinc/50/31/26/1192503126.db2.gz QJQOXSVWYLFVLY-ZETCQYMHSA-N -1 3 313.308 3.280 20 30 DGEDHM CCCCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590592559 1192528836 /nfs/dbraw/zinc/52/88/36/1192528836.db2.gz YKMJAXLUNJENGE-UHFFFAOYSA-N -1 3 320.372 3.098 20 30 DGEDHM CCCCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590592559 1192528839 /nfs/dbraw/zinc/52/88/39/1192528839.db2.gz YKMJAXLUNJENGE-UHFFFAOYSA-N -1 3 320.372 3.098 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CNc1cc(F)cc(C#N)c1 ZINC001591848739 1192574890 /nfs/dbraw/zinc/57/48/90/1192574890.db2.gz MUNVOSFGGMCGNU-UHFFFAOYSA-N -1 3 322.347 3.106 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CNc1cc(F)cc(C#N)c1 ZINC001591848739 1192574894 /nfs/dbraw/zinc/57/48/94/1192574894.db2.gz MUNVOSFGGMCGNU-UHFFFAOYSA-N -1 3 322.347 3.106 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CNc1cccc(CC#N)c1 ZINC001591849244 1192575884 /nfs/dbraw/zinc/57/58/84/1192575884.db2.gz VDQIJQWCWCAJPG-UHFFFAOYSA-N -1 3 318.384 3.162 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CNc1cccc(CC#N)c1 ZINC001591849244 1192575889 /nfs/dbraw/zinc/57/58/89/1192575889.db2.gz VDQIJQWCWCAJPG-UHFFFAOYSA-N -1 3 318.384 3.162 20 30 DGEDHM Cc1cc(F)c(-c2nnn[n-]2)c(N(CCC#N)CCC(C)C)c1 ZINC001591979568 1192586913 /nfs/dbraw/zinc/58/69/13/1192586913.db2.gz KOHVHNPIJQPLHC-UHFFFAOYSA-N -1 3 316.384 3.080 20 30 DGEDHM Cc1cc(F)c(-c2nn[n-]n2)c(N(CCC#N)CCC(C)C)c1 ZINC001591979568 1192586916 /nfs/dbraw/zinc/58/69/16/1192586916.db2.gz KOHVHNPIJQPLHC-UHFFFAOYSA-N -1 3 316.384 3.080 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001592172547 1192598908 /nfs/dbraw/zinc/59/89/08/1192598908.db2.gz BSRRITUODNGVTN-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001592172547 1192598915 /nfs/dbraw/zinc/59/89/15/1192598915.db2.gz BSRRITUODNGVTN-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C#N ZINC001592166825 1192599080 /nfs/dbraw/zinc/59/90/80/1192599080.db2.gz JMRPECWCDOLTLT-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C#N ZINC001592166825 1192599081 /nfs/dbraw/zinc/59/90/81/1192599081.db2.gz JMRPECWCDOLTLT-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1cccc(F)c1NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001592232863 1192602559 /nfs/dbraw/zinc/60/25/59/1192602559.db2.gz PROWHUSYNXIFCC-UHFFFAOYSA-N -1 3 322.347 3.077 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H]1c1cccs1 ZINC001592699148 1192625601 /nfs/dbraw/zinc/62/56/01/1192625601.db2.gz PSMHDMIRAFNTCR-ZDUSSCGKSA-N -1 3 322.397 3.141 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H]1c1cccs1 ZINC001592699148 1192625604 /nfs/dbraw/zinc/62/56/04/1192625604.db2.gz PSMHDMIRAFNTCR-ZDUSSCGKSA-N -1 3 322.397 3.141 20 30 DGEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)Oc2cccc(Cl)c21 ZINC001593376534 1192631197 /nfs/dbraw/zinc/63/11/97/1192631197.db2.gz SCDDGOBZFHYYQX-MDWZMJQESA-N -1 3 324.727 3.136 20 30 DGEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)Oc2cccc(Cl)c21 ZINC001593376534 1192631203 /nfs/dbraw/zinc/63/12/03/1192631203.db2.gz SCDDGOBZFHYYQX-MDWZMJQESA-N -1 3 324.727 3.136 20 30 DGEDHM Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)[nH]c1C(=O)[O-] ZINC001600204680 1192806633 /nfs/dbraw/zinc/80/66/33/1192806633.db2.gz HYJFCVWJNACSMW-UHFFFAOYSA-N -1 3 309.369 3.062 20 30 DGEDHM COc1ccc(Cl)cc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001342559809 1179153908 /nfs/dbraw/zinc/15/39/08/1179153908.db2.gz WRHHVNPAEFLNRT-NSHDSACASA-N -1 3 304.708 3.373 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(C2CCCCC2)[nH]n1 ZINC001344865124 1179488267 /nfs/dbraw/zinc/48/82/67/1179488267.db2.gz ZVGLFKDCSPWNFI-CYBMUJFWSA-N -1 3 311.389 3.164 20 30 DGEDHM O=C([O-])[C@]12CN(CC#Cc3ccccc3Cl)C[C@H]1CCCC2 ZINC001602205280 1192962497 /nfs/dbraw/zinc/96/24/97/1192962497.db2.gz LXPVXZAGAIXFPP-CRAIPNDOSA-N -1 3 317.816 3.268 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602711572 1192995129 /nfs/dbraw/zinc/99/51/29/1192995129.db2.gz XYDWSBHCQHQBRU-UHFFFAOYSA-N -1 3 317.780 3.042 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602711572 1192995132 /nfs/dbraw/zinc/99/51/32/1192995132.db2.gz XYDWSBHCQHQBRU-UHFFFAOYSA-N -1 3 317.780 3.042 20 30 DGEDHM C(=NNc1cccc2c1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC001602746281 1192996196 /nfs/dbraw/zinc/99/61/96/1192996196.db2.gz LSAIDSNHTMGBNP-UHFFFAOYSA-N -1 3 318.384 3.192 20 30 DGEDHM C(=NNc1cccc2c1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC001602746281 1192996200 /nfs/dbraw/zinc/99/62/00/1192996200.db2.gz LSAIDSNHTMGBNP-UHFFFAOYSA-N -1 3 318.384 3.192 20 30 DGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(CC(=O)[O-])CC1 ZINC001602761734 1192996880 /nfs/dbraw/zinc/99/68/80/1192996880.db2.gz BEOWXNYDXASCMK-UHFFFAOYSA-N -1 3 305.422 3.097 20 30 DGEDHM C=C(C)CCN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001602761201 1192997013 /nfs/dbraw/zinc/99/70/13/1192997013.db2.gz WVLDATLDSAPVBK-INIZCTEOSA-N -1 3 322.836 3.050 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC001602787079 1192997460 /nfs/dbraw/zinc/99/74/60/1192997460.db2.gz YHNKURZGVFJWNY-UHFFFAOYSA-N -1 3 319.434 3.340 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC001602787079 1192997463 /nfs/dbraw/zinc/99/74/63/1192997463.db2.gz YHNKURZGVFJWNY-UHFFFAOYSA-N -1 3 319.434 3.340 20 30 DGEDHM C=C[C@](C)(CC)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602795941 1192998070 /nfs/dbraw/zinc/99/80/70/1192998070.db2.gz XFMVJJYZLSDELE-BDJLRTHQSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@](C)(CC)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602795941 1192998072 /nfs/dbraw/zinc/99/80/72/1192998072.db2.gz XFMVJJYZLSDELE-BDJLRTHQSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@@H](NCc1ccc(Oc2ccccc2F)c(F)c1)C(=O)[O-] ZINC001602818962 1192998582 /nfs/dbraw/zinc/99/85/82/1192998582.db2.gz IZNBKDUZDRGPMF-CQSZACIVSA-N -1 3 319.307 3.486 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CCCC1 ZINC001602818294 1192998827 /nfs/dbraw/zinc/99/88/27/1192998827.db2.gz KXWXUFVEJGNURM-UHFFFAOYSA-N -1 3 315.352 3.081 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CCCC1 ZINC001602818294 1192998829 /nfs/dbraw/zinc/99/88/29/1192998829.db2.gz KXWXUFVEJGNURM-UHFFFAOYSA-N -1 3 315.352 3.081 20 30 DGEDHM C=CCCCCCOc1ccc(-c2nnn[n-]2)cc1OCC ZINC001602838041 1192999334 /nfs/dbraw/zinc/99/93/34/1192999334.db2.gz MQISFPIDKZNQNU-UHFFFAOYSA-N -1 3 302.378 3.391 20 30 DGEDHM C=CCCCCCOc1ccc(-c2nn[n-]n2)cc1OCC ZINC001602838041 1192999336 /nfs/dbraw/zinc/99/93/36/1192999336.db2.gz MQISFPIDKZNQNU-UHFFFAOYSA-N -1 3 302.378 3.391 20 30 DGEDHM CC1(C)CCC[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001603775065 1193030980 /nfs/dbraw/zinc/03/09/80/1193030980.db2.gz UISNLAWOQIUQMV-GFCCVEGCSA-N -1 3 310.405 3.367 20 30 DGEDHM CC1(C)CCC[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001603775065 1193030983 /nfs/dbraw/zinc/03/09/83/1193030983.db2.gz UISNLAWOQIUQMV-GFCCVEGCSA-N -1 3 310.405 3.367 20 30 DGEDHM C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001603869871 1193036465 /nfs/dbraw/zinc/03/64/65/1193036465.db2.gz AMLFCJJAFDHZJN-YGRLFVJLSA-N -1 3 308.345 3.029 20 30 DGEDHM CCCCCCCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001604175644 1193057561 /nfs/dbraw/zinc/05/75/61/1193057561.db2.gz KYJVCGQATCWVJV-ZDUSSCGKSA-N -1 3 315.421 3.404 20 30 DGEDHM CCCCCCCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001604175644 1193057563 /nfs/dbraw/zinc/05/75/63/1193057563.db2.gz KYJVCGQATCWVJV-ZDUSSCGKSA-N -1 3 315.421 3.404 20 30 DGEDHM CCc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001604522130 1193078954 /nfs/dbraw/zinc/07/89/54/1193078954.db2.gz OBBFJZAUTDSQKM-UHFFFAOYSA-N -1 3 306.373 3.265 20 30 DGEDHM COc1cc(Cl)ccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001357581243 1181410521 /nfs/dbraw/zinc/41/05/21/1181410521.db2.gz YHLVDDKAPTVDRJ-NSHDSACASA-N -1 3 304.708 3.373 20 30 DGEDHM COc1cc(C)ccc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001605203139 1193127123 /nfs/dbraw/zinc/12/71/23/1193127123.db2.gz WLXHOCZRFODVCE-VQHVLOKHSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C)ccc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001605203139 1193127131 /nfs/dbraw/zinc/12/71/31/1193127131.db2.gz WLXHOCZRFODVCE-VQHVLOKHSA-N -1 3 320.352 3.080 20 30 DGEDHM C#C[C@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(F)cc1 ZINC001450083474 1182241596 /nfs/dbraw/zinc/24/15/96/1182241596.db2.gz URVGHNOVWTWTHW-HNNXBMFYSA-N -1 3 315.369 3.358 20 30 DGEDHM C[C@H](Sc1ccccn1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001458016873 1182489568 /nfs/dbraw/zinc/48/95/68/1182489568.db2.gz OCVDHPDUTJEGNT-NSHDSACASA-N -1 3 306.362 3.119 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC001458024683 1182489608 /nfs/dbraw/zinc/48/96/08/1182489608.db2.gz QRKFMNKHZXGGKI-OLZOCXBDSA-N -1 3 314.426 3.040 20 30 DGEDHM O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC001458016316 1182489966 /nfs/dbraw/zinc/48/99/66/1182489966.db2.gz LVLZZROIODZUPL-UHFFFAOYSA-N -1 3 324.695 3.419 20 30 DGEDHM CCS[C@H]1CCCC[C@@H]1NCc1cccc(C(=O)[O-])c1C#N ZINC001605741115 1193168344 /nfs/dbraw/zinc/16/83/44/1193168344.db2.gz KTRXDDZMKSFMEK-HOTGVXAUSA-N -1 3 318.442 3.410 20 30 DGEDHM CN(CCc1cccc(C#N)c1)Cc1cc(C(=O)[O-])ccc1F ZINC001606139686 1193191847 /nfs/dbraw/zinc/19/18/47/1193191847.db2.gz MJPVCLNDDZVMJS-UHFFFAOYSA-N -1 3 312.344 3.070 20 30 DGEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC001464055473 1183066428 /nfs/dbraw/zinc/06/64/28/1183066428.db2.gz CABCRYWOXBXLMU-NWDGAFQWSA-N -1 3 314.476 3.119 20 30 DGEDHM CCCCCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC001464119848 1183071431 /nfs/dbraw/zinc/07/14/31/1183071431.db2.gz DPNJUPSWDYIGBF-UHFFFAOYSA-N -1 3 324.368 3.349 20 30 DGEDHM N#CC1CCC(CNc2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC001606344214 1193199523 /nfs/dbraw/zinc/19/95/23/1193199523.db2.gz GYCPVBRZUIFXHD-UHFFFAOYSA-N -1 3 316.796 3.262 20 30 DGEDHM N#CC1CCC(CNc2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC001606344214 1193199524 /nfs/dbraw/zinc/19/95/24/1193199524.db2.gz GYCPVBRZUIFXHD-UHFFFAOYSA-N -1 3 316.796 3.262 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1C[C@@H]1C1CCCCC1 ZINC001606379702 1193199821 /nfs/dbraw/zinc/19/98/21/1193199821.db2.gz JJTJCSMMKQZYEE-CABCVRRESA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1C[C@@H]1C1CCCCC1 ZINC001606379702 1193199823 /nfs/dbraw/zinc/19/98/23/1193199823.db2.gz JJTJCSMMKQZYEE-CABCVRRESA-N -1 3 308.389 3.119 20 30 DGEDHM C=CCCC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001607371990 1193226427 /nfs/dbraw/zinc/22/64/27/1193226427.db2.gz KPXPHTKVXCNSIQ-UHFFFAOYSA-N -1 3 302.403 3.310 20 30 DGEDHM CCCCN([O-])C(=O)CCN(CC1CC1)C(=O)OC(C)(C)C ZINC001472620727 1183656855 /nfs/dbraw/zinc/65/68/55/1183656855.db2.gz ODOGWNVUPXRKPR-UHFFFAOYSA-N -1 3 314.426 3.042 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC001472620996 1183657223 /nfs/dbraw/zinc/65/72/23/1183657223.db2.gz BRBWTFVKKBMGFG-MRXNPFEDSA-N -1 3 318.417 3.089 20 30 DGEDHM C=C(C)C[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OCC ZINC001474686578 1183961972 /nfs/dbraw/zinc/96/19/72/1183961972.db2.gz ZXVGRIUVAJSDGT-CQSZACIVSA-N -1 3 311.809 3.342 20 30 DGEDHM C=CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccncc1 ZINC001477933654 1184118924 /nfs/dbraw/zinc/11/89/24/1184118924.db2.gz POSLRZXUUDOHPQ-OAHLLOKOSA-N -1 3 315.348 3.043 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC001609053570 1193322142 /nfs/dbraw/zinc/32/21/42/1193322142.db2.gz NGRVZNHQPMHBIS-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC001609053570 1193322147 /nfs/dbraw/zinc/32/21/47/1193322147.db2.gz NGRVZNHQPMHBIS-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM CC(C)(C#N)CCCSc1cccc(F)c1-c1nnn[n-]1 ZINC001609072287 1193323750 /nfs/dbraw/zinc/32/37/50/1193323750.db2.gz KDULCMZYRKYJKU-UHFFFAOYSA-N -1 3 305.382 3.428 20 30 DGEDHM C[C@H](CCNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001609110988 1193325108 /nfs/dbraw/zinc/32/51/08/1193325108.db2.gz CIVYMFYSYGGZFD-CYBMUJFWSA-N -1 3 318.384 3.344 20 30 DGEDHM C[C@H](CCNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001609110988 1193325110 /nfs/dbraw/zinc/32/51/10/1193325110.db2.gz CIVYMFYSYGGZFD-CYBMUJFWSA-N -1 3 318.384 3.344 20 30 DGEDHM CCCCCCCC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609208937 1193331693 /nfs/dbraw/zinc/33/16/93/1193331693.db2.gz BOZADSOVNJRAEP-UHFFFAOYSA-N -1 3 315.421 3.186 20 30 DGEDHM CCCCCCCC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609208937 1193331697 /nfs/dbraw/zinc/33/16/97/1193331697.db2.gz BOZADSOVNJRAEP-UHFFFAOYSA-N -1 3 315.421 3.186 20 30 DGEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc(C#N)cc2)n1 ZINC001609396646 1193336217 /nfs/dbraw/zinc/33/62/17/1193336217.db2.gz DWVHOSLJDVJXHW-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(C#N)cc2)n1 ZINC001609396646 1193336218 /nfs/dbraw/zinc/33/62/18/1193336218.db2.gz DWVHOSLJDVJXHW-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1F ZINC001609422760 1193337158 /nfs/dbraw/zinc/33/71/58/1193337158.db2.gz XBYRDROLHNQMFM-MKMNVTDBSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1F ZINC001609422760 1193337161 /nfs/dbraw/zinc/33/71/61/1193337161.db2.gz XBYRDROLHNQMFM-MKMNVTDBSA-N -1 3 320.327 3.137 20 30 DGEDHM Clc1ccc(C=NOCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001609472533 1193341039 /nfs/dbraw/zinc/34/10/39/1193341039.db2.gz NSNYUIGVNCFDEQ-UHFFFAOYSA-N -1 3 313.748 3.071 20 30 DGEDHM Clc1ccc(C=NOCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001609472533 1193341040 /nfs/dbraw/zinc/34/10/40/1193341040.db2.gz NSNYUIGVNCFDEQ-UHFFFAOYSA-N -1 3 313.748 3.071 20 30 DGEDHM CCCCN([O-])C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001611657838 1193439035 /nfs/dbraw/zinc/43/90/35/1193439035.db2.gz JNNPLHGAKDAGQA-UHFFFAOYSA-N -1 3 302.161 3.273 20 30 DGEDHM CCCCN([O-])C(=O)[C@@](C)(CCC)NC(=O)OC(C)(C)C ZINC001611657903 1193439192 /nfs/dbraw/zinc/43/91/92/1193439192.db2.gz MILFGPPGBVHCQH-OAHLLOKOSA-N 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/nfs/dbraw/zinc/74/02/25/1187740225.db2.gz GEJRWUFDVPQWIM-UHFFFAOYSA-N -1 3 309.253 3.058 20 30 DGEDHM O=C(c1ccc2nccnc2c1)N([O-])Cc1ccccc1Cl ZINC001559033449 1189163743 /nfs/dbraw/zinc/16/37/43/1189163743.db2.gz IWCDMQLSZXTACR-UHFFFAOYSA-N -1 3 313.744 3.315 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 ZINC001559034690 1189163804 /nfs/dbraw/zinc/16/38/04/1189163804.db2.gz LMEBROYIYIKMQW-HWOWSKLDSA-N -1 3 324.465 3.212 20 30 DGEDHM CCCCN([O-])C(=O)c1ccc(OCc2ccccc2)cn1 ZINC001559035371 1189164436 /nfs/dbraw/zinc/16/44/36/1189164436.db2.gz NYSMHJCWORJRHE-UHFFFAOYSA-N -1 3 300.358 3.292 20 30 DGEDHM CCCCN([O-])C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC001559035431 1189164658 /nfs/dbraw/zinc/16/46/58/1189164658.db2.gz QHRIKYCSEKBQKM-UHFFFAOYSA-N -1 3 313.401 3.301 20 30 DGEDHM C#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC001570678123 1190915612 /nfs/dbraw/zinc/91/56/12/1190915612.db2.gz UVWYYMHQYCFCPO-QGZVFWFLSA-N -1 3 311.356 3.345 20 30 DGEDHM N#Cc1ccc(CNC(=O)c2cc3sccc3c([O-])c2)s1 ZINC001626826929 1194097897 /nfs/dbraw/zinc/09/78/97/1194097897.db2.gz QMTYHDHZWAFPNM-UHFFFAOYSA-N -1 3 314.391 3.470 20 30 DGEDHM C=CCO[N-]C(=O)Cc1cccc(OCc2ccccc2C)c1 ZINC001627703730 1194140426 /nfs/dbraw/zinc/14/04/26/1194140426.db2.gz ODDPYZJXZRMPQV-UHFFFAOYSA-N -1 3 311.381 3.350 20 30 DGEDHM CC1(C#N)CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001637217718 1194657847 /nfs/dbraw/zinc/65/78/47/1194657847.db2.gz IOJCKPFAKUTNNX-UHFFFAOYSA-N -1 3 300.383 3.373 20 30 DGEDHM O=C(c1ccsn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001639041392 1194747711 /nfs/dbraw/zinc/74/77/11/1194747711.db2.gz YYYOYQLTXKXNIK-UHFFFAOYSA-N -1 3 303.170 3.482 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1cc(C(C)=O)ccc1OC ZINC001639062668 1194749351 /nfs/dbraw/zinc/74/93/51/1194749351.db2.gz YJGIIANBXIJWJN-UHFFFAOYSA-N -1 3 307.390 3.238 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1cc(Br)ccc1Cl ZINC001639695030 1194777704 /nfs/dbraw/zinc/77/77/04/1194777704.db2.gz VLKUSZXLQUWOPL-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001640635561 1194822795 /nfs/dbraw/zinc/82/27/95/1194822795.db2.gz UNGKLHFNZZTSLM-HNNXBMFYSA-N -1 3 311.381 3.430 20 30 DGEDHM N#Cc1ccc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)cc1F ZINC001640924352 1194832962 /nfs/dbraw/zinc/83/29/62/1194832962.db2.gz ONFLALOAFYYNES-UHFFFAOYSA-N -1 3 321.311 3.439 20 30 DGEDHM CCCCN([O-])C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001641869812 1194876950 /nfs/dbraw/zinc/87/69/50/1194876950.db2.gz AWYSJDCRQJHLCV-LBPRGKRZSA-N -1 3 316.442 3.334 20 30 DGEDHM C=CCn1c(SCc2ccc([Si](C)(C)C)cc2)n[n-]c1=O ZINC001643787799 1195054063 /nfs/dbraw/zinc/05/40/63/1195054063.db2.gz YWAJFMZINMOALR-UHFFFAOYSA-N -1 3 319.506 3.007 20 30 DGEDHM C=CCCC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)OC ZINC001644822363 1195136455 /nfs/dbraw/zinc/13/64/55/1195136455.db2.gz DGWISYRHZQTGCK-HNNXBMFYSA-N -1 3 319.401 3.143 20 30 DGEDHM CCCc1cc(C(=O)N([O-])CCCCc2ccccc2)n[nH]1 ZINC001651226349 1195428779 /nfs/dbraw/zinc/42/87/79/1195428779.db2.gz VZVIMAGQDPPTQN-UHFFFAOYSA-N -1 3 301.390 3.217 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC001654821992 1195844211 /nfs/dbraw/zinc/84/42/11/1195844211.db2.gz RGLTZOJRMQMZCH-JTQLQIEISA-N -1 3 316.195 3.234 20 30 DGEDHM O=C(Cc1cncc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC001654828617 1195845565 /nfs/dbraw/zinc/84/55/65/1195845565.db2.gz ADHPCEWULMMJBC-UHFFFAOYSA-N -1 3 310.328 3.334 20 30 DGEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(C)(C)C ZINC001663655252 1196922339 /nfs/dbraw/zinc/92/23/39/1196922339.db2.gz SQHZHCOVBLRQQP-GFCCVEGCSA-N -1 3 320.241 3.320 20 30 DGEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(F)c(C)cc2F)CC1 ZINC001671401074 1197537976 /nfs/dbraw/zinc/53/79/76/1197537976.db2.gz PKYHNTPBUIAKKO-UHFFFAOYSA-N -1 3 315.385 3.298 20 30 DGEDHM Cc1cc(F)c(C#N)cc1NC(=O)NCc1c([O-])cccc1F ZINC001674685865 1197833177 /nfs/dbraw/zinc/83/31/77/1197833177.db2.gz KKSZDZHTERPZEA-UHFFFAOYSA-N -1 3 317.295 3.172 20 30 DGEDHM C=C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001573314327 947228575 /nfs/dbraw/zinc/22/85/75/947228575.db2.gz ATOGJFCIQLPGIS-MRXNPFEDSA-N -1 3 320.352 3.259 20 30 DGEDHM C=C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001573314327 947228584 /nfs/dbraw/zinc/22/85/84/947228584.db2.gz ATOGJFCIQLPGIS-MRXNPFEDSA-N -1 3 320.352 3.259 20 30 DGEDHM C=C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001573314934 947239809 /nfs/dbraw/zinc/23/98/09/947239809.db2.gz HZPWVGJQDWYRCF-OAHLLOKOSA-N -1 3 324.315 3.090 20 30 DGEDHM C=C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001573314934 947239820 /nfs/dbraw/zinc/23/98/20/947239820.db2.gz HZPWVGJQDWYRCF-OAHLLOKOSA-N -1 3 324.315 3.090 20 30 DGEDHM C=CCCCCCN(C)c1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001573334547 947457686 /nfs/dbraw/zinc/45/76/86/947457686.db2.gz FLKLCOQPNHAPLZ-UHFFFAOYSA-N -1 3 320.828 3.406 20 30 DGEDHM C=CCCCCCN(C)c1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001573334547 947457696 /nfs/dbraw/zinc/45/76/96/947457696.db2.gz FLKLCOQPNHAPLZ-UHFFFAOYSA-N -1 3 320.828 3.406 20 30 DGEDHM C=CC[C@@H](C(=O)[O-])N1CCc2cc(C)c(Br)cc2C1 ZINC001573351199 962976534 /nfs/dbraw/zinc/97/65/34/962976534.db2.gz QSWLEAXNSVFGHV-AWEZNQCLSA-N -1 3 324.218 3.145 20 30 DGEDHM C[C@H](CN(C)Cc1cccc(C(=O)[O-])c1C#N)c1ccccc1 ZINC001592584565 978503612 /nfs/dbraw/zinc/50/36/12/978503612.db2.gz JNUXAKDRBXAGEM-CQSZACIVSA-N -1 3 308.381 3.492 20 30 DGEDHM C[C@H](Cc1ccc(O)cc1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001592883763 979763381 /nfs/dbraw/zinc/76/33/81/979763381.db2.gz VXUBPQQGDVSWNJ-CYBMUJFWSA-N -1 3 324.380 3.025 20 30 DGEDHM C=C[C@H](NCc1ccc(Oc2cc(C)ccc2C)nc1)C(=O)[O-] ZINC001588700976 983912407 /nfs/dbraw/zinc/91/24/07/983912407.db2.gz LXETURBOUGNAML-HNNXBMFYSA-N -1 3 312.369 3.220 20 30 DGEDHM C=CC[C@H](C(=O)[O-])N(CC)Cc1ccccc1Br ZINC001588728485 983982782 /nfs/dbraw/zinc/98/27/82/983982782.db2.gz KFVQENQVLWCSMA-CYBMUJFWSA-N -1 3 312.207 3.300 20 30 DGEDHM C=CCOc1ccc(CNCc2cc(C(=O)[O-])cs2)cc1 ZINC001588872764 984442042 /nfs/dbraw/zinc/44/20/42/984442042.db2.gz IJPVSCYMLYAYRB-UHFFFAOYSA-N -1 3 303.383 3.301 20 30 DGEDHM N#Cc1ccc(Nc2ccc(F)cc2[O-])c(Br)n1 ZINC001210014376 1081862991 /nfs/dbraw/zinc/86/29/91/1081862991.db2.gz JLAHIXQAEOYHRD-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM COC(=O)c1ccc([O-])cc1Nc1cc(Cl)cc(C#N)c1 ZINC001210539915 1081979716 /nfs/dbraw/zinc/97/97/16/1081979716.db2.gz MJFJNTJTJFOVBZ-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM N#Cc1sccc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC001351310024 1082846627 /nfs/dbraw/zinc/84/66/27/1082846627.db2.gz OEVZCUCDXHVQJK-UHFFFAOYSA-N -1 3 318.408 3.452 20 30 DGEDHM N#Cc1cc(NC(=O)C[C@H]2CCc3ccc(F)cc32)ccc1[O-] ZINC001182590145 1083758795 /nfs/dbraw/zinc/75/87/95/1083758795.db2.gz BZJHLPVFEQIWCS-GFCCVEGCSA-N -1 3 310.328 3.462 20 30 DGEDHM CCCCN([O-])C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001184315199 1084147582 /nfs/dbraw/zinc/14/75/82/1084147582.db2.gz TXNBCIQRNSXAGE-UHFFFAOYSA-N -1 3 316.188 3.202 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccc(C)cc1Br ZINC001184314771 1084147896 /nfs/dbraw/zinc/14/78/96/1084147896.db2.gz JPYVDBKORQQNDS-UHFFFAOYSA-N -1 3 300.196 3.318 20 30 DGEDHM O=C(c1cncc2[nH]ccc21)N([O-])Cc1ccccc1Cl ZINC001184283074 1084151776 /nfs/dbraw/zinc/15/17/76/1084151776.db2.gz BVZARGZUYRPYDW-UHFFFAOYSA-N -1 3 301.733 3.248 20 30 DGEDHM O=C([C@@H]1Cc2ccccc2O1)N([O-])CCCCc1ccccc1 ZINC001184293428 1084156257 /nfs/dbraw/zinc/15/62/57/1084156257.db2.gz SBOKRMZQPMARCX-SFHVURJKSA-N -1 3 311.381 3.231 20 30 DGEDHM O=C([C@H]1CCC(=O)c2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC001184348149 1084165767 /nfs/dbraw/zinc/16/57/67/1084165767.db2.gz LNIJRXGIGRZARQ-INIZCTEOSA-N -1 3 313.328 3.304 20 30 DGEDHM CO[C@H](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001184355535 1084166922 /nfs/dbraw/zinc/16/69/22/1084166922.db2.gz XXUKUIRMLHSLSS-SCLBCKFNSA-N -1 3 324.380 3.096 20 30 DGEDHM N#Cc1cc([O-])ccc1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC001186460524 1084656811 /nfs/dbraw/zinc/65/68/11/1084656811.db2.gz KNHUNYSWHQLMRO-QGZVFWFLSA-N -1 3 307.353 3.463 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1[O-] ZINC001151671932 1087753525 /nfs/dbraw/zinc/75/35/25/1087753525.db2.gz VPZWAAHIRAJOED-QGZVFWFLSA-N -1 3 322.364 3.370 20 30 DGEDHM N#Cc1ccc(-c2cccs2)nc1NCc1ncccc1[O-] ZINC001158774055 1088023664 /nfs/dbraw/zinc/02/36/64/1088023664.db2.gz GXJTXPATGJKEHM-UHFFFAOYSA-N -1 3 308.366 3.394 20 30 DGEDHM N#Cc1cc(NC(=O)c2cc3c(Cl)cc[nH]c-3n2)ccc1[O-] ZINC001153023942 1088144847 /nfs/dbraw/zinc/14/48/47/1088144847.db2.gz NAZSAPBLGJPPNY-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM C#CC1(NC(=O)c2c(O)cc3ccccc3c2[O-])CCCCC1 ZINC001154030396 1088447445 /nfs/dbraw/zinc/44/74/45/1088447445.db2.gz QKIZFXUSJCRLEM-UHFFFAOYSA-N -1 3 309.365 3.317 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1cccc(OC)c1OC ZINC001161819382 1089422007 /nfs/dbraw/zinc/42/20/07/1089422007.db2.gz RHCZRZLFDPECFM-UHFFFAOYSA-N -1 3 309.406 3.435 20 30 DGEDHM O=C(c1ccnc(C2CC2)n1)N([O-])CCCCc1ccccc1 ZINC001161819467 1089422883 /nfs/dbraw/zinc/42/28/83/1089422883.db2.gz USWYBAUZKXSXRS-UHFFFAOYSA-N -1 3 311.385 3.208 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)N(CC)C(=O)OC(C)(C)C ZINC001161826887 1089427093 /nfs/dbraw/zinc/42/70/93/1089427093.db2.gz OIAQQMJHKAUZEA-ZDUSSCGKSA-N -1 3 316.442 3.430 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccc(F)cc1Br ZINC001161832728 1089432330 /nfs/dbraw/zinc/43/23/30/1089432330.db2.gz SEGDTSMGZBBXNS-UHFFFAOYSA-N -1 3 304.159 3.149 20 30 DGEDHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N([O-])Cc1cccc2ccccc21 ZINC001161843064 1089437068 /nfs/dbraw/zinc/43/70/68/1089437068.db2.gz ZKCUJABWJSGWSU-HZPDHXFCSA-N -1 3 307.353 3.084 20 30 DGEDHM N#CC1(c2ccc(NCCCc3c[n-][nH]c3=O)cc2)CCCCC1 ZINC001164381904 1090418672 /nfs/dbraw/zinc/41/86/72/1090418672.db2.gz HPEVPIJUNQXVFT-HNNXBMFYSA-N -1 3 324.428 3.336 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(Br)cc1Cl ZINC001164413575 1090421289 /nfs/dbraw/zinc/42/12/89/1090421289.db2.gz FNTCYVYYGIYFEE-MRVPVSSYSA-N -1 3 318.598 3.267 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001164414522 1090421403 /nfs/dbraw/zinc/42/14/03/1090421403.db2.gz QKNLAZWOWZXVTM-VZJVUDMVSA-N -1 3 324.218 3.349 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC23CCCC3)n1 ZINC001165280375 1090496017 /nfs/dbraw/zinc/49/60/17/1090496017.db2.gz DXDJXGFWLFJHDG-OVCLIPMQSA-N -1 3 312.826 3.183 20 30 DGEDHM COC(=O)CCO[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC001205059353 1091092660 /nfs/dbraw/zinc/09/26/60/1091092660.db2.gz SRKJTUAXVGPSJN-LYHOESIGSA-N -1 3 313.353 3.186 20 30 DGEDHM CCOc1cccc2cc(C(=O)[N-]c3onc(C)c3C#N)oc21 ZINC001150515700 1092788051 /nfs/dbraw/zinc/78/80/51/1092788051.db2.gz XACWOMQIIHSBDO-UHFFFAOYSA-N -1 3 311.297 3.252 20 30 DGEDHM N#CC[C@@H](CC(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1 ZINC001151432218 1092898630 /nfs/dbraw/zinc/89/86/30/1092898630.db2.gz SFMXLSGLXPRWPC-INIZCTEOSA-N -1 3 305.337 3.056 20 30 DGEDHM N#Cc1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc([N+](=O)[O-])c1 ZINC001211328328 1093460333 /nfs/dbraw/zinc/46/03/33/1093460333.db2.gz CXBLPMDTXUZEAK-UHFFFAOYSA-N -1 3 321.296 3.101 20 30 DGEDHM COC(=O)c1ccc([O-])cc1Nc1ccc(C#N)cc1Cl ZINC001214000321 1093694657 /nfs/dbraw/zinc/69/46/57/1093694657.db2.gz TYGVIMGYSRMZDE-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM COC(=O)c1c(F)ccc(Nc2cc(C#N)ccc2[O-])c1F ZINC001215192591 1093937084 /nfs/dbraw/zinc/93/70/84/1093937084.db2.gz AHKNQZPWECTPGN-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM N#Cc1cccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1 ZINC001216951922 1094283406 /nfs/dbraw/zinc/28/34/06/1094283406.db2.gz PTUCGJMHKXZYFY-UHFFFAOYSA-N -1 3 313.700 3.340 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1cccc(F)n1 ZINC001122637980 1095023487 /nfs/dbraw/zinc/02/34/87/1095023487.db2.gz VQECZFQUHUGXIY-QZPNVGJNSA-N -1 3 301.708 3.159 20 30 DGEDHM CCc1cc(C([O-])=C(C#N)c2nccn2CC)cc(Cl)n1 ZINC001123234025 1095194960 /nfs/dbraw/zinc/19/49/60/1095194960.db2.gz QNQNRWJZEDVHTF-GFCCVEGCSA-N -1 3 302.765 3.004 20 30 DGEDHM Cc1ccc(N[C@@H]2CCc3c2cccc3C#N)cc1-c1nnn[n-]1 ZINC001171064064 1095239308 /nfs/dbraw/zinc/23/93/08/1095239308.db2.gz YNONKMFLWBFHEC-QGZVFWFLSA-N -1 3 316.368 3.146 20 30 DGEDHM Cc1ccc(N[C@@H]2CCc3c2cccc3C#N)cc1-c1nn[n-]n1 ZINC001171064064 1095239322 /nfs/dbraw/zinc/23/93/22/1095239322.db2.gz YNONKMFLWBFHEC-QGZVFWFLSA-N -1 3 316.368 3.146 20 30 DGEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cc2c(s1)CCC2 ZINC001123337255 1095247009 /nfs/dbraw/zinc/24/70/09/1095247009.db2.gz PEAMNTQBJSHWOE-SECBINFHSA-N -1 3 305.790 3.114 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccsc1Br ZINC001123337446 1095247100 /nfs/dbraw/zinc/24/71/00/1095247100.db2.gz QTLHYXVOUYIXEL-VIFPVBQESA-N -1 3 324.203 3.217 20 30 DGEDHM N#Cc1c([N-]C(=O)c2ncc(Cl)cn2)sc2c1CCCC2 ZINC001124302606 1095573754 /nfs/dbraw/zinc/57/37/54/1095573754.db2.gz DILPDIFFALYQRT-UHFFFAOYSA-N -1 3 318.789 3.194 20 30 DGEDHM COc1cccc(C(=O)Nc2ccc3c(C#N)c[nH]c3c2)c1[O-] ZINC001148202518 1096334419 /nfs/dbraw/zinc/33/44/19/1096334419.db2.gz PLOXAELZIJTRKY-UHFFFAOYSA-N -1 3 307.309 3.006 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](Oc2[n-]c(C)cc(=O)c2C#N)C(C)(C)O1 ZINC001225469757 1096441326 /nfs/dbraw/zinc/44/13/26/1096441326.db2.gz NWQJHQSULJJUDT-PBHICJAKSA-N -1 3 302.374 3.248 20 30 DGEDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226110787 1096614927 /nfs/dbraw/zinc/61/49/27/1096614927.db2.gz VRDLTEWZAHCPBX-ZKJMASMISA-N -1 3 320.389 3.271 20 30 DGEDHM COc1ccc(OC[C@@H](C)Oc2cccc(/C=N/[O-])c2)cc1 ZINC001226114610 1096615491 /nfs/dbraw/zinc/61/54/91/1096615491.db2.gz NDKAWOBPSTUIJV-VBEHJTROSA-N -1 3 301.342 3.350 20 30 DGEDHM C[C@@H](Oc1cccc(/C=N/[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001226113985 1096615979 /nfs/dbraw/zinc/61/59/79/1096615979.db2.gz CJNWKYHSYNKEGJ-KBSHCFNASA-N -1 3 320.389 3.129 20 30 DGEDHM C=CCOc1ccccc1[C@@H](C)Oc1[n-]c(=O)ncc1C(C)=O ZINC001226238456 1096644092 /nfs/dbraw/zinc/64/40/92/1096644092.db2.gz SHSAOFKRCHUHSF-GFCCVEGCSA-N -1 3 314.341 3.090 20 30 DGEDHM CCC[C@@H](Oc1nccc(/C=N/[O-])n1)c1ccc(OC)cc1 ZINC001226256256 1096647135 /nfs/dbraw/zinc/64/71/35/1096647135.db2.gz PHABOWPPRSTROD-CLXYIWAZSA-N -1 3 301.346 3.214 20 30 DGEDHM [O-]/N=C/c1ccnc(O[C@@H]2CCc3cc(C(F)(F)F)ccc32)n1 ZINC001226255877 1096647587 /nfs/dbraw/zinc/64/75/87/1096647587.db2.gz AOOYVWCTRDCMJJ-GNZXAGPDSA-N -1 3 323.274 3.370 20 30 DGEDHM CC(=O)c1ccc([O-])c(O[C@@H](C#N)c2ccccc2F)c1O ZINC001226486771 1096702796 /nfs/dbraw/zinc/70/27/96/1096702796.db2.gz XTFPXJFNHRAREZ-AWEZNQCLSA-N -1 3 301.273 3.083 20 30 DGEDHM O=c1cc(O[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)nc[nH]1 ZINC001226947822 1096824212 /nfs/dbraw/zinc/82/42/12/1096824212.db2.gz WVYRQFYIXHQQHC-QUWSGOTNSA-N -1 3 321.336 3.181 20 30 DGEDHM N#C[C@@H]1CC[C@@H](Oc2c(O)c([O-])ccc2C(=O)c2ccccc2)C1 ZINC001227937294 1097016763 /nfs/dbraw/zinc/01/67/63/1097016763.db2.gz IAJFHPTUZJVHLV-TZMCWYRMSA-N -1 3 323.348 3.400 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](Oc2[n-]c(=O)nc3cccnc32)C(C)(C)O1 ZINC001228005340 1097030099 /nfs/dbraw/zinc/03/00/99/1097030099.db2.gz PKKYHMCSXGTEGC-SJCJKPOMSA-N -1 3 315.373 3.012 20 30 DGEDHM C[C@@H](c1ccccn1)N1CCC[C@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228007117 1097031220 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COC(=O)c1sc(Nc2c(F)cc([O-])cc2F)c(C#N)c1C ZINC001175094610 1097944687 /nfs/dbraw/zinc/94/46/87/1097944687.db2.gz JYDFKKAKCZBOIL-UHFFFAOYSA-N -1 3 324.308 3.442 20 30 DGEDHM COc1cc(/C=N/[O-])ccc1OC[C@H](OC)c1ccccc1 ZINC001233800478 1098433053 /nfs/dbraw/zinc/43/30/53/1098433053.db2.gz QZAWQQCLCJNRHV-SZLZGVTBSA-N -1 3 301.342 3.270 20 30 DGEDHM N#Cc1cc(NC(=O)CSCc2ccc(F)cc2)ccc1[O-] ZINC001180569018 1099458646 /nfs/dbraw/zinc/45/86/46/1099458646.db2.gz LELCMPQJGVOEFR-UHFFFAOYSA-N -1 3 316.357 3.275 20 30 DGEDHM COc1ccc(NC(=O)[N-]c2onc(C)c2C#N)cc1Cl ZINC001188433765 1099762647 /nfs/dbraw/zinc/76/26/47/1099762647.db2.gz MDGFQWRZONPGOS-UHFFFAOYSA-N -1 3 306.709 3.161 20 30 DGEDHM N#Cc1cnoc1[N-]C(=O)Nc1ccccc1OC(F)(F)F ZINC001190654569 1100316093 /nfs/dbraw/zinc/31/60/93/1100316093.db2.gz ZNGUUEYZTJOJBO-UHFFFAOYSA-N -1 3 312.207 3.089 20 30 DGEDHM C=CC[C@@H](NC(=O)c1ccc(=O)[n-]c1Cl)c1ccccc1 ZINC001190925651 1100360794 /nfs/dbraw/zinc/36/07/94/1100360794.db2.gz AKPJQHORHGCVCS-CYBMUJFWSA-N -1 3 302.761 3.488 20 30 DGEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-c2cccc(F)c2)c1 ZINC001193150261 1100711998 /nfs/dbraw/zinc/71/19/98/1100711998.db2.gz DHJZMSGDRHPCCZ-NSHDSACASA-N -1 3 304.346 3.146 20 30 DGEDHM Cc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193147045 1100712541 /nfs/dbraw/zinc/71/25/41/1100712541.db2.gz WCDVEMRJFAASFI-CYBMUJFWSA-N -1 3 300.383 3.316 20 30 DGEDHM COc1cccc(-c2cccc([N-]S(=O)(=O)[C@@H](C)C#N)c2)c1 ZINC001193146954 1100712681 /nfs/dbraw/zinc/71/26/81/1100712681.db2.gz UXCWBZTWLASEQZ-LBPRGKRZSA-N -1 3 316.382 3.016 20 30 DGEDHM N#C[C@@H](NC(=O)c1ccc([O-])cc1C(F)(F)F)c1ccccc1 ZINC001193733142 1100795210 /nfs/dbraw/zinc/79/52/10/1100795210.db2.gz FPOPTRWUJWHXFY-CQSZACIVSA-N -1 3 320.270 3.406 20 30 DGEDHM CN(C)C(=O)c1cccc(NC=Cc2ccc(C#N)cc2)c1[O-] ZINC001203308875 1101466966 /nfs/dbraw/zinc/46/69/66/1101466966.db2.gz ZTCFVXNMNQKXRP-ZHACJKMWSA-N -1 3 307.353 3.048 20 30 DGEDHM C#C[C@H]1CCCCN1Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC001198526140 1101894338 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CC(C)(C)c1cc([O-])c(CN2CCC(=O)[C@H](C#N)C2)cc1Cl ZINC001248883601 1105186749 /nfs/dbraw/zinc/18/67/49/1105186749.db2.gz LRFWTHCGXOMIDA-GFCCVEGCSA-N -1 3 320.820 3.258 20 30 DGEDHM Cc1cc(CN2CC[C@](C)(C#N)C2)c([O-])cc1Br ZINC001250135645 1105451207 /nfs/dbraw/zinc/45/12/07/1105451207.db2.gz HCRHJFZGSCMXFO-CQSZACIVSA-N -1 3 309.207 3.199 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)cc1 ZINC001252205644 1105754334 /nfs/dbraw/zinc/75/43/34/1105754334.db2.gz PULDNTWEWISAMQ-UHFFFAOYSA-N -1 3 304.346 3.001 20 30 DGEDHM C=CCCCCCC[C@H](O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001253229174 1105905178 /nfs/dbraw/zinc/90/51/78/1105905178.db2.gz LOLAAJWVVFNLPD-INIZCTEOSA-N -1 3 315.421 3.166 20 30 DGEDHM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)c1 ZINC001258135964 1106679639 /nfs/dbraw/zinc/67/96/39/1106679639.db2.gz LATXWJOGDDGKOV-UHFFFAOYSA-N -1 3 322.386 3.220 20 30 DGEDHM CCCCCCC[C@@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC001258805139 1106990140 /nfs/dbraw/zinc/99/01/40/1106990140.db2.gz MBNCVUVTOUDDQU-LLVKDONJSA-N -1 3 302.440 3.319 20 30 DGEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)c1ccccc1 ZINC001260689110 1107297813 /nfs/dbraw/zinc/29/78/13/1107297813.db2.gz SQILASPLKAGPLZ-OAHLLOKOSA-N -1 3 320.801 3.024 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1Cc1ccco1 ZINC001263380643 1108031022 /nfs/dbraw/zinc/03/10/22/1108031022.db2.gz WGKFDMCUGHCKBE-MRXNPFEDSA-N -1 3 320.352 3.026 20 30 DGEDHM C=CCn1cc2ccc(NC(=O)c3cc(OC)ccc3[O-])cc2n1 ZINC001304006639 1111161844 /nfs/dbraw/zinc/16/18/44/1111161844.db2.gz BANPMIMOEANWSW-UHFFFAOYSA-N -1 3 323.352 3.189 20 30 DGEDHM N#CCSc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001306901116 1111248589 /nfs/dbraw/zinc/24/85/89/1111248589.db2.gz WYSHIKAHUBUTKO-UHFFFAOYSA-N -1 3 316.357 3.473 20 30 DGEDHM C#Cc1cccc(N(CC)Cc2nnc(-c3ccccc3[O-])o2)c1 ZINC001307575960 1111315114 /nfs/dbraw/zinc/31/51/14/1111315114.db2.gz LVRVBKSGLGNOTK-UHFFFAOYSA-N -1 3 319.364 3.450 20 30 DGEDHM C=C(C)CN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001308013220 1111366671 /nfs/dbraw/zinc/36/66/71/1111366671.db2.gz SSAJVVZSLVYLQZ-LBPRGKRZSA-N -1 3 312.335 3.235 20 30 DGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001309495265 1111527790 /nfs/dbraw/zinc/52/77/90/1111527790.db2.gz CMKCIFGBQYJHLZ-UHFFFAOYSA-N -1 3 308.230 3.484 20 30 DGEDHM CC[C@@]1(C)CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000331250890 529525219 /nfs/dbraw/zinc/52/52/19/529525219.db2.gz WYOPLMJHOZBFCM-SFHVURJKSA-N -1 3 318.417 3.044 20 30 DGEDHM CC(C)(C)c1csc(CC/N=C/c2ccc(O)c([O-])c2O)n1 ZINC000105356247 432018474 /nfs/dbraw/zinc/01/84/74/432018474.db2.gz DRKAEXMTGYELIS-CAOOACKPSA-N -1 3 320.414 3.219 20 30 DGEDHM CC(C)c1cc(C(=O)N2CCO[C@@H](C#N)C2)c([O-])c(C(C)C)c1 ZINC000106292188 432020585 /nfs/dbraw/zinc/02/05/85/432020585.db2.gz IHBKASFQRMTHOK-AWEZNQCLSA-N -1 3 316.401 3.004 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000188911830 200321096 /nfs/dbraw/zinc/32/10/96/200321096.db2.gz KEVFKCMRVJWSFZ-AWEZNQCLSA-N -1 3 312.207 3.373 20 30 DGEDHM Cc1csc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c1 ZINC000451339464 241088109 /nfs/dbraw/zinc/08/81/09/241088109.db2.gz JEKOGURMWSKLHB-CQSZACIVSA-N -1 3 320.439 3.380 20 30 DGEDHM N#Cc1cccc(CNCc2cc([O-])ccc2Br)c1 ZINC000126428293 284304956 /nfs/dbraw/zinc/30/49/56/284304956.db2.gz OLMDFSOEFNKFKX-UHFFFAOYSA-N -1 3 317.186 3.316 20 30 DGEDHM Cc1c(C(=O)[N-]c2sccc2C#N)nnn1-c1ccc(C)cc1 ZINC000127049510 284325717 /nfs/dbraw/zinc/32/57/17/284325717.db2.gz IINRPRDYWADZNK-UHFFFAOYSA-N -1 3 323.381 3.070 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000496090882 246353068 /nfs/dbraw/zinc/35/30/68/246353068.db2.gz HHACZZSZYNUUBV-UHFFFAOYSA-N -1 3 320.389 3.200 20 30 DGEDHM C=CCOc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000065749498 184378662 /nfs/dbraw/zinc/37/86/62/184378662.db2.gz VDLIOBIJOPRNGS-UHFFFAOYSA-N -1 3 309.325 3.487 20 30 DGEDHM C=CCOc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000065749498 184378664 /nfs/dbraw/zinc/37/86/64/184378664.db2.gz VDLIOBIJOPRNGS-UHFFFAOYSA-N -1 3 309.325 3.487 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1 ZINC000094982981 252621396 /nfs/dbraw/zinc/62/13/96/252621396.db2.gz OAJFMHYWFLYQAO-UHFFFAOYSA-N -1 3 306.774 3.321 20 30 DGEDHM Cc1ccnc(NCc2ccc([O-])c(Br)c2)c1C#N ZINC000343525448 254155956 /nfs/dbraw/zinc/15/59/56/254155956.db2.gz IPRBNWCDNBUNBJ-UHFFFAOYSA-N -1 3 318.174 3.342 20 30 DGEDHM COc1ccc(C(F)(F)C(=O)[N-][C@@H](C#N)C2CCCCC2)cc1 ZINC000155027138 533370906 /nfs/dbraw/zinc/37/09/06/533370906.db2.gz DKKYAQVZPIILSY-HNNXBMFYSA-N -1 3 322.355 3.376 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cnn(CC(C)C)c2)ccc1[O-] ZINC000180709548 533506222 /nfs/dbraw/zinc/50/62/22/533506222.db2.gz WHANKSNKDMSQJA-GQCTYLIASA-N -1 3 300.358 3.149 20 30 DGEDHM N#CCc1cccc2c1CCN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC000600706403 400134694 /nfs/dbraw/zinc/13/46/94/400134694.db2.gz VUTKPABBYRVGIV-UHFFFAOYSA-N -1 3 306.365 3.009 20 30 DGEDHM CC(C)CC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000595367723 400135575 /nfs/dbraw/zinc/13/55/75/400135575.db2.gz GQPPDXIRTFWBEG-UHFFFAOYSA-N -1 3 312.822 3.069 20 30 DGEDHM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084897 400212376 /nfs/dbraw/zinc/21/23/76/400212376.db2.gz SMTHPASRJNCLPJ-UKRRQHHQSA-N -1 3 324.421 3.335 20 30 DGEDHM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3ccccn3)cc2NC1=O ZINC000041494130 400408201 /nfs/dbraw/zinc/40/82/01/400408201.db2.gz YPPBCEWJQRWJEH-ZYHUDNBSSA-N -1 3 323.377 3.004 20 30 DGEDHM CCCCc1nnc([N-]C(=O)c2cc(F)c(C#N)c(F)c2)s1 ZINC000596886705 400518421 /nfs/dbraw/zinc/51/84/21/400518421.db2.gz NMLLHBOTLLCUIJ-UHFFFAOYSA-N -1 3 322.340 3.283 20 30 DGEDHM CCc1nocc1C(=O)[N-]c1ccccc1SCCC#N ZINC000597175863 400578306 /nfs/dbraw/zinc/57/83/06/400578306.db2.gz FJNMFWDFJLYQHG-UHFFFAOYSA-N -1 3 301.371 3.495 20 30 DGEDHM O=C(CCC(=O)c1ccccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045571849 400528872 /nfs/dbraw/zinc/52/88/72/400528872.db2.gz ALGWMSGBXIEBPY-UHFFFAOYSA-N -1 3 312.251 3.075 20 30 DGEDHM O=C(CCC(=O)c1ccccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045571849 400528876 /nfs/dbraw/zinc/52/88/76/400528876.db2.gz ALGWMSGBXIEBPY-UHFFFAOYSA-N -1 3 312.251 3.075 20 30 DGEDHM CC(C)Oc1ccc(NC(=O)c2cc(C(F)F)[n-]n2)cc1C#N ZINC000602959749 400615042 /nfs/dbraw/zinc/61/50/42/400615042.db2.gz SCDYDBTUDDXUEO-UHFFFAOYSA-N -1 3 320.299 3.258 20 30 DGEDHM Cc1ccn(-c2ccc(C([O-])=C(C#N)c3nc(C)cs3)cc2)n1 ZINC000048788868 400660894 /nfs/dbraw/zinc/66/08/94/400660894.db2.gz YGVSORBRUZZGLH-HNNXBMFYSA-N -1 3 322.393 3.436 20 30 DGEDHM CCc1nc(C)c(C(=O)[N-]c2nnc(C(F)F)s2)s1 ZINC000050345682 400683774 /nfs/dbraw/zinc/68/37/74/400683774.db2.gz CTCYPPOEEJFDML-UHFFFAOYSA-N -1 3 304.347 3.439 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(C(=O)OC)oc2C)s1 ZINC000598809487 400882881 /nfs/dbraw/zinc/88/28/81/400882881.db2.gz SUMHAOPZEKNOJJ-UHFFFAOYSA-N -1 3 318.354 3.123 20 30 DGEDHM CCN(C[C@H](C)C#N)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598674793 400854989 /nfs/dbraw/zinc/85/49/89/400854989.db2.gz USWUURBZVMPHBL-SECBINFHSA-N -1 3 300.280 3.033 20 30 DGEDHM N#CC(=C([O-])c1ccccc1OC(F)(F)F)c1ccccn1 ZINC000181010102 400887118 /nfs/dbraw/zinc/88/71/18/400887118.db2.gz WZQQRVVWKWKTAA-NSHDSACASA-N -1 3 306.243 3.470 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(SCC#N)c2)nc(C)n1 ZINC000080379060 400946048 /nfs/dbraw/zinc/94/60/48/400946048.db2.gz NNAJBAQNIYXALE-OAHLLOKOSA-N -1 3 322.393 3.199 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)c2cnn(C(C)C)c2n1 ZINC000193253878 400917912 /nfs/dbraw/zinc/91/79/12/400917912.db2.gz MLAZYYZGQVWDMS-CQSZACIVSA-N -1 3 319.368 3.206 20 30 DGEDHM N#Cc1cc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c[nH]1 ZINC000182765986 432225755 /nfs/dbraw/zinc/22/57/55/432225755.db2.gz OMBWOGBTAQZYJD-UHFFFAOYSA-N -1 3 317.348 3.435 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/[C@H]2CCO[C@H](c3ccccc3)C2)c1O ZINC000154232491 227096795 /nfs/dbraw/zinc/09/67/95/227096795.db2.gz OUKBMNVXXVVUPP-ABOJNYCISA-N -1 3 313.353 3.143 20 30 DGEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000357555245 229350369 /nfs/dbraw/zinc/35/03/69/229350369.db2.gz DFYAUFDWVSQOCF-ZDUSSCGKSA-N -1 3 324.377 3.097 20 30 DGEDHM Cc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)cc1[O-] ZINC000355629496 266137265 /nfs/dbraw/zinc/13/72/65/266137265.db2.gz PPEAXVVVTWWPBD-UHFFFAOYSA-N -1 3 307.353 3.399 20 30 DGEDHM CCCC1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000523569942 267000336 /nfs/dbraw/zinc/00/03/36/267000336.db2.gz JXXCYABYZALDKR-UHFFFAOYSA-N -1 3 324.421 3.335 20 30 DGEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(C)(C)C ZINC000443082038 288056002 /nfs/dbraw/zinc/05/60/02/288056002.db2.gz YVASUIZJHQBHSF-ZDUSSCGKSA-N -1 3 314.838 3.315 20 30 DGEDHM N#CC(=C([O-])c1cccc(OC[C@H]2CCCO2)c1)c1ccccn1 ZINC000073970461 431392665 /nfs/dbraw/zinc/39/26/65/431392665.db2.gz GCECPERYOZJGJU-IAGOWNOFSA-N -1 3 322.364 3.129 20 30 DGEDHM Cc1cccc(C)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000014633243 431592137 /nfs/dbraw/zinc/59/21/37/431592137.db2.gz BHHDAUKNVYNGGX-UHFFFAOYSA-N -1 3 323.396 3.052 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C ZINC000029972198 431731415 /nfs/dbraw/zinc/73/14/15/431731415.db2.gz STFKLZWBHRJYPT-UHFFFAOYSA-N -1 3 300.383 3.170 20 30 DGEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081459036 431792122 /nfs/dbraw/zinc/79/21/22/431792122.db2.gz KCIKDVJVHUSIAZ-VIFPVBQESA-N -1 3 303.280 3.331 20 30 DGEDHM C=CCN(CCc1ccccc1)C(=O)c1cccc(OC)c1[O-] ZINC000121359267 431774759 /nfs/dbraw/zinc/77/47/59/431774759.db2.gz JCTVRGCPBHXZKD-UHFFFAOYSA-N -1 3 311.381 3.272 20 30 DGEDHM CC(C)(C)CN(CCC#N)C(=O)Cc1ccc([O-])cc1Cl ZINC000122636754 431840216 /nfs/dbraw/zinc/84/02/16/431840216.db2.gz DVGCEGFAKJRIOH-UHFFFAOYSA-N -1 3 308.809 3.376 20 30 DGEDHM Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000047343190 431908738 /nfs/dbraw/zinc/90/87/38/431908738.db2.gz GZNPAYDTLBGJOX-LBPRGKRZSA-N -1 3 323.356 3.231 20 30 DGEDHM Cc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000047343190 431908740 /nfs/dbraw/zinc/90/87/40/431908740.db2.gz GZNPAYDTLBGJOX-LBPRGKRZSA-N -1 3 323.356 3.231 20 30 DGEDHM Cc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000047343190 431908742 /nfs/dbraw/zinc/90/87/42/431908742.db2.gz GZNPAYDTLBGJOX-LBPRGKRZSA-N -1 3 323.356 3.231 20 30 DGEDHM CC(C)(C)n1nc(C([O-])=C(C#N)c2ccccn2)cc1C1CC1 ZINC000049458851 431939986 /nfs/dbraw/zinc/93/99/86/431939986.db2.gz SYNYOGPKPFXXKD-CYBMUJFWSA-N -1 3 308.385 3.401 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000128478803 431995048 /nfs/dbraw/zinc/99/50/48/431995048.db2.gz JMFMHDYVSAGEND-LBPRGKRZSA-N -1 3 308.341 3.363 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000128478803 431995050 /nfs/dbraw/zinc/99/50/50/431995050.db2.gz JMFMHDYVSAGEND-LBPRGKRZSA-N -1 3 308.341 3.363 20 30 DGEDHM C=C[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000128478803 431995053 /nfs/dbraw/zinc/99/50/53/431995053.db2.gz JMFMHDYVSAGEND-LBPRGKRZSA-N -1 3 308.341 3.363 20 30 DGEDHM C=CCOc1ccc(C(=O)Nc2cccc([O-])c2F)cc1OC ZINC000128760773 431999818 /nfs/dbraw/zinc/99/98/18/431999818.db2.gz OSCBMBSLVMIQAB-UHFFFAOYSA-N -1 3 317.316 3.357 20 30 DGEDHM C=CCOc1cccc([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC000192673409 432397805 /nfs/dbraw/zinc/39/78/05/432397805.db2.gz UCXPPPFKTNUTDA-UHFFFAOYSA-N -1 3 321.373 3.332 20 30 DGEDHM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000193253719 432460764 /nfs/dbraw/zinc/46/07/64/432460764.db2.gz CBLGIJGZGASNOS-HNNXBMFYSA-N -1 3 319.368 3.206 20 30 DGEDHM N#Cc1ccc(NC([O-])=NOCCC(F)(F)F)c(Cl)c1 ZINC000275246209 432724316 /nfs/dbraw/zinc/72/43/16/432724316.db2.gz PFVDTZKNZYBKKI-UHFFFAOYSA-N -1 3 307.659 3.217 20 30 DGEDHM N#Cc1ccc(NC(=O)[N-]OCCC(F)(F)F)c(Cl)c1 ZINC000275246209 432724319 /nfs/dbraw/zinc/72/43/19/432724319.db2.gz PFVDTZKNZYBKKI-UHFFFAOYSA-N -1 3 307.659 3.217 20 30 DGEDHM N#CCCCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000189142233 432766492 /nfs/dbraw/zinc/76/64/92/432766492.db2.gz BZCFVPKUNMTZRM-UHFFFAOYSA-N -1 3 308.794 3.215 20 30 DGEDHM CCCC1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000230337470 432729254 /nfs/dbraw/zinc/72/92/54/432729254.db2.gz YKSJMAMDQZWWEI-UHFFFAOYSA-N -1 3 312.460 3.257 20 30 DGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(F)c1C#N ZINC000188647818 432737609 /nfs/dbraw/zinc/73/76/09/432737609.db2.gz LVPGDHPWFCTDQC-CYBMUJFWSA-N -1 3 318.311 3.074 20 30 DGEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCC1 ZINC000160819812 432744508 /nfs/dbraw/zinc/74/45/08/432744508.db2.gz UMHUGLPDVODWDX-JTQLQIEISA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1csc(=O)[n-]1 ZINC000329981708 432886461 /nfs/dbraw/zinc/88/64/61/432886461.db2.gz NTZZPFHSWHMNNY-MRVPVSSYSA-N -1 3 308.407 3.174 20 30 DGEDHM Cc1nc(-c2ccc(NC(=O)NC(C)(C)C)cc2)cc(=O)[n-]1 ZINC000330425241 432909503 /nfs/dbraw/zinc/90/95/03/432909503.db2.gz DHJBEJGQAWIPHV-UHFFFAOYSA-N -1 3 300.362 3.282 20 30 DGEDHM C=C[C@@](C)(CCOC)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000289083830 432920501 /nfs/dbraw/zinc/92/05/01/432920501.db2.gz JBZDLHMKONFTJB-KRWDZBQOSA-N -1 3 318.373 3.321 20 30 DGEDHM CCOc1cc(CN(CCC#N)CCC#N)cc(Cl)c1[O-] ZINC000297363018 432994017 /nfs/dbraw/zinc/99/40/17/432994017.db2.gz FWYHQLQSKDMTNW-UHFFFAOYSA-N -1 3 307.781 3.074 20 30 DGEDHM C=CC1CCN(C(=O)c2c[n-]c3c(C)cc(C)cc3c2=O)CC1 ZINC000361436668 433174941 /nfs/dbraw/zinc/17/49/41/433174941.db2.gz AFXKVGLNHQDMLV-UHFFFAOYSA-N -1 3 310.397 3.183 20 30 DGEDHM CCCOc1ccc(/C=N/CC2(COC)CCOCC2)c([O-])c1 ZINC000291806166 433359453 /nfs/dbraw/zinc/35/94/53/433359453.db2.gz CHGIGLONNHTODP-XDHOZWIPSA-N -1 3 321.417 3.043 20 30 DGEDHM C[C@@H](C/N=C/c1ccc(O)c([O-])c1O)COCc1ccccc1 ZINC000299176641 433342320 /nfs/dbraw/zinc/34/23/20/433342320.db2.gz XTKWSOSMERCBJS-UZPSYVQNSA-N -1 3 315.369 3.075 20 30 DGEDHM N#CC(=C([O-])c1ccc(COC(F)(F)F)cc1)c1ccncn1 ZINC000361792499 433392024 /nfs/dbraw/zinc/39/20/24/433392024.db2.gz NELJRFMIQUKVIT-LBPRGKRZSA-N -1 3 321.258 3.003 20 30 DGEDHM COc1ccc(NC(=O)c2cc(C#N)ccc2Cl)c([O-])c1 ZINC000355014833 433414351 /nfs/dbraw/zinc/41/43/51/433414351.db2.gz SHALMUGBGMTRAV-UHFFFAOYSA-N -1 3 302.717 3.178 20 30 DGEDHM C=CCOc1cccc(CNCc2ccccc2CC(=O)[O-])c1 ZINC000426678930 433560225 /nfs/dbraw/zinc/56/02/25/433560225.db2.gz SIICKVIQTWMPDK-UHFFFAOYSA-N -1 3 311.381 3.168 20 30 DGEDHM CCCCCCCS(=O)(=O)[N-]c1c(C)n[nH]c1C(F)F ZINC000282251890 433542051 /nfs/dbraw/zinc/54/20/51/433542051.db2.gz GUBAOQHJJKPHDA-UHFFFAOYSA-N -1 3 309.382 3.368 20 30 DGEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1 ZINC000426784798 433596008 /nfs/dbraw/zinc/59/60/08/433596008.db2.gz STMROLOHEXBCQN-OAHLLOKOSA-N -1 3 303.383 3.228 20 30 DGEDHM C=CCC1(CNC(=O)c2cc(NC(C)=O)ccc2[O-])CCCC1 ZINC000456489926 433688118 /nfs/dbraw/zinc/68/81/18/433688118.db2.gz WBTJBDUYZHFQMC-UHFFFAOYSA-N -1 3 316.401 3.217 20 30 DGEDHM CCc1c(C)sc([N-]C(=O)c2cn(C(C)(C)C)nn2)c1C#N ZINC000362424561 433705925 /nfs/dbraw/zinc/70/59/25/433705925.db2.gz VLYJAKLVQMEYRS-UHFFFAOYSA-N -1 3 317.418 3.089 20 30 DGEDHM CCc1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)c([O-])c1 ZINC000436737884 434093747 /nfs/dbraw/zinc/09/37/47/434093747.db2.gz RWJHUUPMZDQMKO-UHFFFAOYSA-N -1 3 306.365 3.245 20 30 DGEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000436865527 434142152 /nfs/dbraw/zinc/14/21/52/434142152.db2.gz SEDNMSNZRYLKQZ-UHFFFAOYSA-N -1 3 316.401 3.326 20 30 DGEDHM CCCOc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1Cl ZINC000416933956 434253295 /nfs/dbraw/zinc/25/32/95/434253295.db2.gz CFWNJABOYQCGAF-LLVKDONJSA-N -1 3 316.810 3.173 20 30 DGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000364706296 434281358 /nfs/dbraw/zinc/28/13/58/434281358.db2.gz XLJYFCQVTSRMCK-IAGOWNOFSA-N -1 3 322.364 3.010 20 30 DGEDHM CCC[C@@H](CCCCNCc1ccc(C#N)cc1F)C(=O)[O-] ZINC000417643183 434484263 /nfs/dbraw/zinc/48/42/63/434484263.db2.gz ZECPZYBCILTQCK-AWEZNQCLSA-N -1 3 306.381 3.458 20 30 DGEDHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000410333981 434641608 /nfs/dbraw/zinc/64/16/08/434641608.db2.gz BAKZAJSXAYOXNF-GUYCJALGSA-N -1 3 320.458 3.195 20 30 DGEDHM Cc1nsc(Sc2n[n-]c(-c3ccccc3F)n2)c1C#N ZINC000360880903 434718921 /nfs/dbraw/zinc/71/89/21/434718921.db2.gz GJIPADDERTVEAG-UHFFFAOYSA-N -1 3 317.374 3.399 20 30 DGEDHM C=CCN(Cc1ccccc1F)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411195303 434742106 /nfs/dbraw/zinc/74/21/06/434742106.db2.gz WETVKBWGYYUZLQ-CYBMUJFWSA-N -1 3 301.365 3.379 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3ccsc3c2)nc(C)n1 ZINC000524760468 434990024 /nfs/dbraw/zinc/99/00/24/434990024.db2.gz RKQSGDDSKMPYHC-LBPRGKRZSA-N -1 3 308.366 3.193 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Cl ZINC000576832682 435058281 /nfs/dbraw/zinc/05/82/81/435058281.db2.gz OMUVDYQMZDZMKE-LLVKDONJSA-N -1 3 317.838 3.372 20 30 DGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000533090960 435210806 /nfs/dbraw/zinc/21/08/06/435210806.db2.gz VMRGZJDXELXQAM-VIFPVBQESA-N -1 3 321.229 3.272 20 30 DGEDHM CCOc1ccc(C=Nc2cccc(OC(=O)NC)c2)c([O-])c1 ZINC000496913095 435269244 /nfs/dbraw/zinc/26/92/44/435269244.db2.gz XQQPVDTWZXTKNI-UHFFFAOYSA-N -1 3 314.341 3.260 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000538287130 435489749 /nfs/dbraw/zinc/48/97/49/435489749.db2.gz LPMNQNAVYMBBNT-LLVKDONJSA-N -1 3 312.822 3.235 20 30 DGEDHM N#CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC000539842842 435575332 /nfs/dbraw/zinc/57/53/32/435575332.db2.gz OBXGLFUVGVFHCJ-UHFFFAOYSA-N -1 3 306.365 3.159 20 30 DGEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(C2CCCCC2)n1 ZINC000518222168 435628966 /nfs/dbraw/zinc/62/89/66/435628966.db2.gz NXHXNBAVMHYBKL-AWEZNQCLSA-N -1 3 308.385 3.353 20 30 DGEDHM Cc1nc(COC(C)(C)C)oc1C([O-])=C(C#N)c1ccccn1 ZINC000651263369 436158620 /nfs/dbraw/zinc/15/86/20/436158620.db2.gz MDANRLVABBZTLJ-LBPRGKRZSA-N -1 3 313.357 3.183 20 30 DGEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)Nc1cccc(C#N)c1)c2=O ZINC000155150180 301307077 /nfs/dbraw/zinc/30/70/77/301307077.db2.gz ANAAAGRMNIHVRP-UHFFFAOYSA-N -1 3 321.311 3.100 20 30 DGEDHM Cc1cc(F)cc2c([O-])c(C(=O)Nc3cccc(C#N)c3)cnc12 ZINC000155150180 301307079 /nfs/dbraw/zinc/30/70/79/301307079.db2.gz 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/nfs/dbraw/zinc/74/03/99/534740399.db2.gz GENCCIKOTVGYRN-KRWDZBQOSA-N -1 3 301.349 3.421 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444075547 527138372 /nfs/dbraw/zinc/13/83/72/527138372.db2.gz JXAHNTLGDOFTFM-QMMMGPOBSA-N -1 3 311.300 3.087 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1[O-] ZINC000331359477 527221903 /nfs/dbraw/zinc/22/19/03/527221903.db2.gz WNJXXMZCKJAKHL-CZUORRHYSA-N -1 3 319.401 3.493 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1c(Cl)cccc1OC ZINC000339113519 527331507 /nfs/dbraw/zinc/33/15/07/527331507.db2.gz DNGMVAQOTARTFY-UHFFFAOYSA-N -1 3 311.794 3.124 20 30 DGEDHM CCCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443497166 528062716 /nfs/dbraw/zinc/06/27/16/528062716.db2.gz JBJZTDQQGVCDMU-UHFFFAOYSA-N -1 3 312.822 3.070 20 30 DGEDHM CC(C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000347774418 528103268 /nfs/dbraw/zinc/10/32/68/528103268.db2.gz BTQFBCVMSUPVMG-CYBMUJFWSA-N -1 3 320.352 3.235 20 30 DGEDHM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ccccn2)s1 ZINC000442657564 529106761 /nfs/dbraw/zinc/10/67/61/529106761.db2.gz SRXSUUMKTHAHIQ-WDEREUQCSA-N -1 3 301.371 3.126 20 30 DGEDHM O=C(CCC(=O)c1ccccc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973060 545720852 /nfs/dbraw/zinc/72/08/52/545720852.db2.gz GDXJNTXASRCAKX-UHFFFAOYSA-N -1 3 310.313 3.316 20 30 DGEDHM O=C(CCC(=O)c1ccccc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973060 545720855 /nfs/dbraw/zinc/72/08/55/545720855.db2.gz GDXJNTXASRCAKX-UHFFFAOYSA-N -1 3 310.313 3.316 20 30 DGEDHM O=C(CCC(=O)c1ccccc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973060 545720858 /nfs/dbraw/zinc/72/08/58/545720858.db2.gz GDXJNTXASRCAKX-UHFFFAOYSA-N -1 3 310.313 3.316 20 30 DGEDHM Cn1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1C1CC1 ZINC000146872554 545987000 /nfs/dbraw/zinc/98/70/00/545987000.db2.gz OULCGNWKEPZOAP-CQSZACIVSA-N -1 3 316.364 3.336 20 30 DGEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000333010956 546501893 /nfs/dbraw/zinc/50/18/93/546501893.db2.gz 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C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1ccncc1 ZINC000735420310 574701433 /nfs/dbraw/zinc/70/14/33/574701433.db2.gz OOLWNDCOPACWQG-CQSZACIVSA-N -1 3 320.400 3.011 20 30 DGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1ccncc1 ZINC000735420310 574701434 /nfs/dbraw/zinc/70/14/34/574701434.db2.gz OOLWNDCOPACWQG-CQSZACIVSA-N -1 3 320.400 3.011 20 30 DGEDHM COc1cc(CN=Nc2c(F)cccc2F)cc([N+](=O)[O-])c1[O-] ZINC000735615554 574709715 /nfs/dbraw/zinc/70/97/15/574709715.db2.gz SVKHVSLXIQMZTH-UHFFFAOYSA-N -1 3 323.255 3.033 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3scnc3Cl)[nH]c21 ZINC000735791482 574715070 /nfs/dbraw/zinc/71/50/70/574715070.db2.gz ZNMCUTDRBFCCJS-MRVPVSSYSA-N -1 3 316.773 3.471 20 30 DGEDHM CCCCCCCCCOC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736449421 574753961 /nfs/dbraw/zinc/75/39/61/574753961.db2.gz VHWKLYNYSQUTFW-UHFFFAOYSA-N -1 3 317.393 3.169 20 30 DGEDHM CCCCCCCCCOC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736449421 574753963 /nfs/dbraw/zinc/75/39/63/574753963.db2.gz VHWKLYNYSQUTFW-UHFFFAOYSA-N -1 3 317.393 3.169 20 30 DGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1C#N ZINC000736818017 574807560 /nfs/dbraw/zinc/80/75/60/574807560.db2.gz LHVHTYRHYUMETL-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1C#N ZINC000736818017 574807561 /nfs/dbraw/zinc/80/75/61/574807561.db2.gz LHVHTYRHYUMETL-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1C#N ZINC000736822729 574807722 /nfs/dbraw/zinc/80/77/22/574807722.db2.gz RRXUHNIYAFYNFE-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1C#N ZINC000736822729 574807724 /nfs/dbraw/zinc/80/77/24/574807724.db2.gz RRXUHNIYAFYNFE-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CCOCc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737178440 574825964 /nfs/dbraw/zinc/82/59/64/574825964.db2.gz WVTXIEAUSWPZKY-GOSISDBHSA-N -1 3 324.380 3.010 20 30 DGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@H](C2CC2)C1 ZINC000737429730 574843173 /nfs/dbraw/zinc/84/31/73/574843173.db2.gz 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DGEDHM CCOc1ccc(/C=N\C[C@H](O)c2c(F)cccc2F)c([O-])c1 ZINC000740763319 574941717 /nfs/dbraw/zinc/94/17/17/574941717.db2.gz GMHZYVUYXSKITD-DMOKECBHSA-N -1 3 321.323 3.222 20 30 DGEDHM CCOc1ccc(/C=N/C[C@@](C)(O)c2cc(C)oc2C)c([O-])c1 ZINC000741466097 574958550 /nfs/dbraw/zinc/95/85/50/574958550.db2.gz DLNDLGLPBJYTGG-HRYJJRBTSA-N -1 3 317.385 3.327 20 30 DGEDHM C[C@H](CN1CCN(c2ccccc2)CC1)/N=C\c1ccccc1[O-] ZINC000741466535 574958661 /nfs/dbraw/zinc/95/86/61/574958661.db2.gz UVACITCVFPEJML-VKZJTJHYSA-N -1 3 323.440 3.022 20 30 DGEDHM C#CCOc1cc(F)ccc1NC([O-])=NOCc1ccccc1 ZINC000743195258 575038450 /nfs/dbraw/zinc/03/84/50/575038450.db2.gz ULYJIMVNFDPRSL-UHFFFAOYSA-N -1 3 314.316 3.091 20 30 DGEDHM C#CCOc1cc(F)ccc1NC(=O)[N-]OCc1ccccc1 ZINC000743195258 575038452 /nfs/dbraw/zinc/03/84/52/575038452.db2.gz ULYJIMVNFDPRSL-UHFFFAOYSA-N -1 3 314.316 3.091 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@@H](C)Oc1ccccc1F ZINC000743041819 575032559 /nfs/dbraw/zinc/03/25/59/575032559.db2.gz CULAYHNPYNVPHS-ZDFPAGSVSA-N -1 3 303.333 3.426 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@H](C)Oc1ccc(F)cc1 ZINC000743042420 575032829 /nfs/dbraw/zinc/03/28/29/575032829.db2.gz KLWJDGKABXMWND-XHEYCZLTSA-N -1 3 303.333 3.426 20 30 DGEDHM COc1cc(C=NNc2cccc(F)c2F)c([N+](=O)[O-])cc1[O-] ZINC000743443307 575051856 /nfs/dbraw/zinc/05/18/56/575051856.db2.gz WABCVYMKMYSVSP-UHFFFAOYSA-N -1 3 323.255 3.033 20 30 DGEDHM CCOc1ccc(/C=N/C[C@@H](O)c2c(F)cccc2F)c([O-])c1 ZINC000740763322 575218290 /nfs/dbraw/zinc/21/82/90/575218290.db2.gz GMHZYVUYXSKITD-UGNSCYDZSA-N -1 3 321.323 3.222 20 30 DGEDHM O=c1[n-]ncc(N=NC(Cc2ccccc2)C2CC2)c1Cl ZINC000729142896 575219480 /nfs/dbraw/zinc/21/94/80/575219480.db2.gz FKWWYXLWZYGUQF-UHFFFAOYSA-N -1 3 302.765 3.256 20 30 DGEDHM COc1ccc(CC/N=C\c2c([O-])cccc2OC)c(OC)c1 ZINC000745624767 575407404 /nfs/dbraw/zinc/40/74/04/575407404.db2.gz NNMMPLHJJOUQHB-UNOMPAQXSA-N -1 3 315.369 3.080 20 30 DGEDHM CCOc1cc(C=NOCc2cccnc2)cc(Cl)c1[O-] ZINC000746587706 575463481 /nfs/dbraw/zinc/46/34/81/575463481.db2.gz QSPSKKDCEWRGQP-UHFFFAOYSA-N -1 3 306.749 3.390 20 30 DGEDHM C=C(C)[C@@H]1CC=C(COC(=O)Cc2c(C)nc(C)[n-]c2=O)CC1 ZINC000747176111 575503893 /nfs/dbraw/zinc/50/38/93/575503893.db2.gz HIHRVIOOYHFSHA-OAHLLOKOSA-N -1 3 316.401 3.187 20 30 DGEDHM CCOc1ccc(/C=N\C[C@@H]2COc3ccccc3C2)c([O-])c1 ZINC000747713096 575534984 /nfs/dbraw/zinc/53/49/84/575534984.db2.gz ORYJGJDSVAQBGF-FAPYRAKZSA-N -1 3 311.381 3.461 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CCCc2ccc(Cl)cc2)c1[O-] ZINC000749453499 575656958 /nfs/dbraw/zinc/65/69/58/575656958.db2.gz UKXGLMCOHHSVRA-VXLYETTFSA-N -1 3 318.804 3.293 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc4cc[nH]c43)nc1-2 ZINC000750724012 575747838 /nfs/dbraw/zinc/74/78/38/575747838.db2.gz QPHZXJHTBLUNHE-CYBMUJFWSA-N -1 3 315.336 3.238 20 30 DGEDHM COc1ccc(C=NNc2ccc(OC(F)F)cc2)c([O-])c1 ZINC000726426886 576022812 /nfs/dbraw/zinc/02/28/12/576022812.db2.gz LFSQIQVYFNNNSQ-UHFFFAOYSA-N -1 3 308.284 3.448 20 30 DGEDHM COC(=O)c1ccc([O-])c(C=NN=c2ccc3ccccc3[nH]2)c1 ZINC000726737521 576038274 /nfs/dbraw/zinc/03/82/74/576038274.db2.gz HSETUENERLKUFX-UHFFFAOYSA-N -1 3 321.336 3.173 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(F)cc2[O-])o1 ZINC000727779092 576144826 /nfs/dbraw/zinc/14/48/26/576144826.db2.gz XTEKTXSLXSJPKC-UHFFFAOYSA-N -1 3 316.336 3.426 20 30 DGEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccoc1 ZINC000916902825 620649258 /nfs/dbraw/zinc/64/92/58/620649258.db2.gz IBHYBNWELLQPAC-HNNXBMFYSA-N -1 3 310.353 3.366 20 30 DGEDHM Cc1ccccc1C(F)(F)C/N=C/c1c([O-])c(C)ncc1CO ZINC000852999135 620658895 /nfs/dbraw/zinc/65/88/95/620658895.db2.gz WUBDYHWLMFGNPO-DNTJNYDQSA-N -1 3 320.339 3.107 20 30 DGEDHM C=C[C@H](C)ON=Cc1ccc(OC)c([O-])c1Br ZINC000844622435 617722680 /nfs/dbraw/zinc/72/26/80/617722680.db2.gz ZLUFKLUYZWSLGP-QMMMGPOBSA-N -1 3 300.152 3.088 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCc3cc(Cl)ccc32)c1[O-] ZINC000920176949 620789957 /nfs/dbraw/zinc/78/99/57/620789957.db2.gz BRKXETUTZQWHAQ-MTRWVZMLSA-N -1 3 316.788 3.348 20 30 DGEDHM CCOc1cc(CN[C@@H](CC#N)C(F)(F)F)cc(Cl)c1[O-] ZINC000896698956 618947937 /nfs/dbraw/zinc/94/79/37/618947937.db2.gz MQINBPPHELVWHA-NSHDSACASA-N -1 3 322.714 3.378 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCc3c(F)cccc32)c1[O-] ZINC000840704622 618963199 /nfs/dbraw/zinc/96/31/99/618963199.db2.gz ADWYLZUFUBBHPR-AAWXNRKFSA-N -1 3 314.360 3.224 20 30 DGEDHM CCC[C@H](C/N=C/c1cc(Br)ccc1[O-])OC ZINC000840706043 618971623 /nfs/dbraw/zinc/97/16/23/618971623.db2.gz GXEMTABJUSGEEV-AZZDOICSSA-N -1 3 300.196 3.389 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2cccc(OC(C)C)c2)c1[O-] ZINC000840706955 618975378 /nfs/dbraw/zinc/97/53/78/618975378.db2.gz MQDPQTFWAPMEBA-UHFFFAOYSA-N -1 3 300.358 3.126 20 30 DGEDHM COc1ccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1C ZINC000899226011 619320956 /nfs/dbraw/zinc/32/09/56/619320956.db2.gz IXDZQSDFCNLLCX-AHURVMIPSA-N -1 3 314.385 3.085 20 30 DGEDHM COc1ccc([C@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1C ZINC000899226012 619321161 /nfs/dbraw/zinc/32/11/61/619321161.db2.gz IXDZQSDFCNLLCX-CATAHAEOSA-N -1 3 314.385 3.085 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cnn(CC3CCC3)c2)ccc1[O-] ZINC000899341190 619327170 /nfs/dbraw/zinc/32/71/70/619327170.db2.gz WHNYYANWFUJXBY-FNORWQNLSA-N -1 3 312.369 3.294 20 30 DGEDHM Cc1[n-]n(-c2cc(C#N)ccc2Br)c(=O)c1C(C)C ZINC000899352931 619327967 /nfs/dbraw/zinc/32/79/67/619327967.db2.gz HGPVZEVUUQJJGB-ZDUSSCGKSA-N -1 3 320.190 3.315 20 30 DGEDHM C[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)c1cnn(C)c1 ZINC000900091596 619404331 /nfs/dbraw/zinc/40/43/31/619404331.db2.gz CVNQJLGWUTUQFK-CYBMUJFWSA-N -1 3 309.369 3.095 20 30 DGEDHM O=C(c1cc2c(cccc2F)[nH]1)N([O-])Cc1ccc(F)cc1 ZINC000900096230 619404463 /nfs/dbraw/zinc/40/44/63/619404463.db2.gz WLYHZVIZALEPAP-UHFFFAOYSA-N -1 3 302.280 3.478 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000900682244 619445236 /nfs/dbraw/zinc/44/52/36/619445236.db2.gz MQEWZCUWUGZAJW-CHWSQXEVSA-N -1 3 314.426 3.040 20 30 DGEDHM O=C(c1cccc([C@@H]2CCOC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901372518 619488425 /nfs/dbraw/zinc/48/84/25/619488425.db2.gz FSMPPVIDHJGOHZ-MRXNPFEDSA-N -1 3 315.344 3.361 20 30 DGEDHM O=C(c1ncccc1C(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000901371545 619490460 /nfs/dbraw/zinc/49/04/60/619490460.db2.gz DPFITCHUMYWEKT-UHFFFAOYSA-N -1 3 314.238 3.271 20 30 DGEDHM CCOc1c(F)cccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372053 619490553 /nfs/dbraw/zinc/49/05/53/619490553.db2.gz OMWOTRBKSZOJSD-UHFFFAOYSA-N -1 3 307.296 3.395 20 30 DGEDHM O=C([C@@H]1CSc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901372141 619491157 /nfs/dbraw/zinc/49/11/57/619491157.db2.gz RYXNDUWOKKEEDI-CQSZACIVSA-N -1 3 303.358 3.433 20 30 DGEDHM Cc1nn(C(C)(C)C)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901373400 619491365 /nfs/dbraw/zinc/49/13/65/619491365.db2.gz YWPUWQNLIGXDNC-UHFFFAOYSA-N -1 3 305.353 3.117 20 30 DGEDHM O=C(Cc1c[nH]c2ccc(F)cc12)N([O-])Cc1ccc(F)cc1 ZINC000901376837 619492307 /nfs/dbraw/zinc/49/23/07/619492307.db2.gz ZXWNGZKSIGJGMI-UHFFFAOYSA-N -1 3 316.307 3.407 20 30 DGEDHM O=C(c1ccc([N+](=O)[O-])cc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901378216 619492427 /nfs/dbraw/zinc/49/24/27/619492427.db2.gz FPILVMWVEWIUFY-UHFFFAOYSA-N -1 3 324.695 3.419 20 30 DGEDHM N#CC1(CCCCSc2nc3nncc-3c(O)[n-]2)CCC1 ZINC000902696099 619662700 /nfs/dbraw/zinc/66/27/00/619662700.db2.gz XOEQIXNOMYVGKB-UHFFFAOYSA-N -1 3 303.391 3.015 20 30 DGEDHM C[C@H](NCC(C)(C)C#N)c1cc(Br)c(F)cc1[O-] ZINC000903100567 619716295 /nfs/dbraw/zinc/71/62/95/619716295.db2.gz UDIXGZVPCXJJRW-QMMMGPOBSA-N -1 3 315.186 3.494 20 30 DGEDHM C[C@@H](NCC1(C#N)CC1)c1cc(Br)cc(F)c1[O-] ZINC000903105501 619717379 /nfs/dbraw/zinc/71/73/79/619717379.db2.gz CYSXTERBLWDMPG-MRVPVSSYSA-N -1 3 313.170 3.248 20 30 DGEDHM C=C[C@@H](CCC(=O)[O-])NCc1c(Cl)ccc2cccnc21 ZINC000904013360 619860119 /nfs/dbraw/zinc/86/01/19/619860119.db2.gz DROVJZJHTOFCRW-LBPRGKRZSA-N -1 3 304.777 3.397 20 30 DGEDHM Cc1noc(C)c1CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904187560 619889689 /nfs/dbraw/zinc/88/96/89/619889689.db2.gz OSZBPOBYDVPGTK-UHFFFAOYSA-N -1 3 308.765 3.295 20 30 DGEDHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904172701 619891877 /nfs/dbraw/zinc/89/18/77/619891877.db2.gz AUBHGLQSMYEWPI-JTQLQIEISA-N -1 3 305.353 3.077 20 30 DGEDHM CCCCN([O-])C(=O)CCCc1nc(-c2cccs2)no1 ZINC000904208610 619894136 /nfs/dbraw/zinc/89/41/36/619894136.db2.gz CPMQMAVFDCYHJM-UHFFFAOYSA-N -1 3 309.391 3.139 20 30 DGEDHM CCCCN([O-])C(=O)CCc1ncc(-c2ccc(OC)cc2)o1 ZINC000904208615 619894190 /nfs/dbraw/zinc/89/41/90/619894190.db2.gz CTVHOKRVKGUCNE-UHFFFAOYSA-N -1 3 318.373 3.301 20 30 DGEDHM Cc1noc(C)c1[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188969 619894604 /nfs/dbraw/zinc/89/46/04/619894604.db2.gz USRLZMHCSLQVAM-VIFPVBQESA-N -1 3 308.765 3.466 20 30 DGEDHM O=C(c1cc(=O)[nH]c(C2CC2)c1)N([O-])Cc1ccccc1Cl ZINC000904191481 619894939 /nfs/dbraw/zinc/89/49/39/619894939.db2.gz ZUHQKYJZODPZEV-UHFFFAOYSA-N -1 3 318.760 3.350 20 30 DGEDHM CC(C)Cn1nccc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904193247 619895486 /nfs/dbraw/zinc/89/54/86/619895486.db2.gz MPRZACVRDISSME-UHFFFAOYSA-N -1 3 307.781 3.224 20 30 DGEDHM C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193937 619895509 /nfs/dbraw/zinc/89/55/09/619895509.db2.gz ZCBSITQXXPXYKM-GWCFXTLKSA-N -1 3 319.792 3.147 20 30 DGEDHM C[C@H]1Cc2cn[nH]c2[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904193939 619895572 /nfs/dbraw/zinc/89/55/72/619895572.db2.gz ZCBSITQXXPXYKM-GXFFZTMASA-N -1 3 319.792 3.147 20 30 DGEDHM C[C@@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CCC1=O ZINC000904197164 619896858 /nfs/dbraw/zinc/89/68/58/619896858.db2.gz UKWNJGJAPVUAJM-GDBMZVCRSA-N -1 3 303.402 3.232 20 30 DGEDHM CCCCCCN([O-])C(=O)c1csc(-c2cnccn2)n1 ZINC000904204243 619898210 /nfs/dbraw/zinc/89/82/10/619898210.db2.gz HZJMJXIMTZOEBP-UHFFFAOYSA-N -1 3 306.391 3.012 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000904205702 619898553 /nfs/dbraw/zinc/89/85/53/619898553.db2.gz SKFZZMORPQAFQI-CQSZACIVSA-N -1 3 312.454 3.069 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-][C@@](C)(C#N)CC(C)C)c1 ZINC000906479017 620101298 /nfs/dbraw/zinc/10/12/98/620101298.db2.gz JFTVGJDCPIDMEI-OAHLLOKOSA-N -1 3 310.344 3.232 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1[O-] ZINC000027066603 620123663 /nfs/dbraw/zinc/12/36/63/620123663.db2.gz DNUKDVVBHHLCNM-LHHXSVIOSA-N -1 3 302.418 3.366 20 30 DGEDHM COCC(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000912961885 620416113 /nfs/dbraw/zinc/41/61/13/620416113.db2.gz IFUWVLRKNZHXRB-UHFFFAOYSA-N -1 3 318.760 3.381 20 30 DGEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914891833 620559987 /nfs/dbraw/zinc/55/99/87/620559987.db2.gz OMRKDBCNERETMD-NSHDSACASA-N -1 3 320.414 3.199 20 30 DGEDHM CC(=O)Nc1ccc([O-])c(C(C)=NNc2cccc(C#N)c2)c1 ZINC000915958801 620608491 /nfs/dbraw/zinc/60/84/91/620608491.db2.gz XKCCZLBTTLHBKO-UHFFFAOYSA-N -1 3 308.341 3.058 20 30 DGEDHM C=CCCO[N-]C(=O)C1(Cc2ccccc2Br)CC1 ZINC000856036022 620955708 /nfs/dbraw/zinc/95/57/08/620955708.db2.gz RRWFJPUKZKLRHC-UHFFFAOYSA-N -1 3 324.218 3.396 20 30 DGEDHM Cc1noc(C2CC2)c1[N-]C(=O)c1ccc(C#N)c(Cl)n1 ZINC000753013481 621420228 /nfs/dbraw/zinc/42/02/28/621420228.db2.gz XXVIHTUTCLCJHO-UHFFFAOYSA-N -1 3 302.721 3.033 20 30 DGEDHM COC(=O)c1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)c[nH]1 ZINC000753141658 621427428 /nfs/dbraw/zinc/42/74/28/621427428.db2.gz KNGVSFFFCAZVIN-VUMIPSPVSA-N -1 3 315.300 3.029 20 30 DGEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(F)cc1[O-] ZINC000754711116 621526658 /nfs/dbraw/zinc/52/66/58/621526658.db2.gz LQDLSBJCSUUKIW-UHFFFAOYSA-N -1 3 314.242 3.176 20 30 DGEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1cc(Cl)cc(Cl)c1 ZINC000755891094 621600377 /nfs/dbraw/zinc/60/03/77/621600377.db2.gz VHPJBNPKSLNFHD-UHFFFAOYSA-N -1 3 321.171 3.496 20 30 DGEDHM C[C@@H](NN=Cc1c([O-])cccc1Br)C(F)(F)F ZINC000863116522 621639951 /nfs/dbraw/zinc/63/99/51/621639951.db2.gz RQFWIQMUSGSAFD-ZCFIWIBFSA-N -1 3 311.101 3.029 20 30 DGEDHM COC(=O)CCC(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863128699 621641329 /nfs/dbraw/zinc/64/13/29/621641329.db2.gz PBMLQMGDNBGWJD-UHFFFAOYSA-N -1 3 304.375 3.033 20 30 DGEDHM CC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1OC ZINC000864349491 621759798 /nfs/dbraw/zinc/75/97/98/621759798.db2.gz ZKAQRJMLRMVCRK-OVEPSTSESA-N -1 3 314.385 3.167 20 30 DGEDHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccc(C#N)cc1 ZINC000864528722 621779662 /nfs/dbraw/zinc/77/96/62/621779662.db2.gz SNXFWWDRTZXBFV-SFHVURJKSA-N -1 3 308.381 3.426 20 30 DGEDHM N#CCSc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000759700539 621883808 /nfs/dbraw/zinc/88/38/08/621883808.db2.gz CZVAFQWDWZLMIQ-UHFFFAOYSA-N -1 3 302.330 3.399 20 30 DGEDHM COc1ccsc1/C=C/C(=O)c1cc(OC)c([O-])cc1OC ZINC000764442888 622194309 /nfs/dbraw/zinc/19/43/09/622194309.db2.gz ROKDIAJOQCXNAE-SNAWJCMRSA-N -1 3 320.366 3.376 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(F)cc2)c(OC)cc1[O-] ZINC000122497381 622336328 /nfs/dbraw/zinc/33/63/28/622336328.db2.gz FJCWMGFEYBMECI-VMPITWQZSA-N -1 3 302.301 3.445 20 30 DGEDHM C[C@@H](C#N)CN(Cc1cccc(Br)c1[O-])C1CC1 ZINC000769545276 622539774 /nfs/dbraw/zinc/53/97/74/622539774.db2.gz NUCOWRWMVZMEFU-JTQLQIEISA-N -1 3 309.207 3.279 20 30 DGEDHM COc1ccc(C(C)=NNc2ccc(F)c([N+](=O)[O-])c2)c([O-])c1 ZINC000769822848 622565427 /nfs/dbraw/zinc/56/54/27/622565427.db2.gz NGOOGYXJYGBRHN-UHFFFAOYSA-N -1 3 319.292 3.284 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccnc(Cl)c2)nc(C)n1 ZINC000771259400 622734401 /nfs/dbraw/zinc/73/44/01/622734401.db2.gz ZPNIKWFPINADFT-OOPCZODUSA-N -1 3 312.760 3.032 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCC#Cc3ccc(F)cc3)n[n-]2)o1 ZINC000771331862 622743691 /nfs/dbraw/zinc/74/36/91/622743691.db2.gz HIIMGPABVVNBBH-UHFFFAOYSA-N -1 3 324.311 3.326 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCC#Cc3ccc(F)cc3)[n-]n2)o1 ZINC000771331862 622743695 /nfs/dbraw/zinc/74/36/95/622743695.db2.gz HIIMGPABVVNBBH-UHFFFAOYSA-N -1 3 324.311 3.326 20 30 DGEDHM CN1CCN(c2ccc(/C=C/C(=O)c3ccccc3[O-])cc2)CC1 ZINC000771526957 622772399 /nfs/dbraw/zinc/77/23/99/622772399.db2.gz YBMAAXOVCHWXAB-DHZHZOJOSA-N -1 3 322.408 3.040 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Cl)nc2)nc(C)n1 ZINC000772645179 622922743 /nfs/dbraw/zinc/92/27/43/622922743.db2.gz WMJSHDSFMVFFDO-HSBHDXMMSA-N -1 3 312.760 3.032 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C[C@@]2(C)CCCc3ccccc32)c1[O-] ZINC000774543693 623159220 /nfs/dbraw/zinc/15/92/20/623159220.db2.gz ZYSPZJQYMHKFJM-YUSOBQLHSA-N -1 3 324.424 3.301 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2c(F)cccc2Cl)c1 ZINC000776280693 623407013 /nfs/dbraw/zinc/40/70/13/623407013.db2.gz WGDQIKBIULFHFV-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM C=C(Cl)C[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OCC ZINC000877671116 623985806 /nfs/dbraw/zinc/98/58/06/623985806.db2.gz FTLSFDNYYPNVPC-LBPRGKRZSA-N -1 3 318.200 3.210 20 30 DGEDHM N#CCC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000781927358 624173114 /nfs/dbraw/zinc/17/31/14/624173114.db2.gz NHGMCRMYKYIQAD-UHFFFAOYSA-N -1 3 309.753 3.079 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC[C@H](Cc3ccccc3)C2)c1[O-] ZINC000782193764 624217964 /nfs/dbraw/zinc/21/79/64/624217964.db2.gz FKBAFPPWHVCYHM-YDENCQFZSA-N -1 3 324.424 3.418 20 30 DGEDHM N#CCc1ccc(CO[N-]C(=O)CCCc2ccccc2)cc1 ZINC000784053254 624428925 /nfs/dbraw/zinc/42/89/25/624428925.db2.gz JXJSJIIXEAQMEL-UHFFFAOYSA-N -1 3 308.381 3.323 20 30 DGEDHM C=C[C@@](C)(CC)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000786530726 624911559 /nfs/dbraw/zinc/91/15/59/624911559.db2.gz RYJIUIOKCZRTDA-SFHVURJKSA-N -1 3 316.401 3.354 20 30 DGEDHM N#Cc1cccc(CNC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000788276571 625113699 /nfs/dbraw/zinc/11/36/99/625113699.db2.gz OSJJYJNAESEJOC-UHFFFAOYSA-N -1 3 308.362 3.409 20 30 DGEDHM Cc1ccccc1[C@H]1C[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000798344070 626210422 /nfs/dbraw/zinc/21/04/22/626210422.db2.gz YVNJPAVJRKMZPN-RWAIGRQXSA-N -1 3 310.397 3.261 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(C#N)c(OC)c2)ccc1[O-] ZINC000799496146 626305802 /nfs/dbraw/zinc/30/58/02/626305802.db2.gz YVSWAFDAJTZPSU-DAXSKMNVSA-N -1 3 309.321 3.177 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cnc(C(C)(C)C)nc2)ccc1[O-] ZINC000806568424 626722313 /nfs/dbraw/zinc/72/23/13/626722313.db2.gz XFAXUZWKISAUON-FNORWQNLSA-N -1 3 312.369 3.384 20 30 DGEDHM CC(C)n1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)nn1 ZINC000806571778 626722515 /nfs/dbraw/zinc/72/25/15/626722515.db2.gz ZIXBARVSFIETRF-NJQKBMNKSA-N -1 3 301.321 3.087 20 30 DGEDHM N#CCN1CCC(OC(=O)c2cc3cc(Cl)sc3[n-]2)CC1 ZINC000810634027 627028960 /nfs/dbraw/zinc/02/89/60/627028960.db2.gz OJSHRGKONSORGO-UHFFFAOYSA-N -1 3 323.805 3.028 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCC[C@H]1F ZINC000810893574 627062979 /nfs/dbraw/zinc/06/29/79/627062979.db2.gz UJBOUHYCVJVKPY-HUUCEWRRSA-N -1 3 320.364 3.032 20 30 DGEDHM CSC1(C/N=C\c2c([O-])c(C)ncc2CO)CCCCC1 ZINC000887272647 627239596 /nfs/dbraw/zinc/23/95/96/627239596.db2.gz SCEHJVVKAHQJBX-MFOYZWKCSA-N -1 3 308.447 3.073 20 30 DGEDHM CC(C)(C#N)c1ccccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184523 627254563 /nfs/dbraw/zinc/25/45/63/627254563.db2.gz PTULRUAKYXSDTQ-UHFFFAOYSA-N -1 3 320.348 3.422 20 30 DGEDHM CC(=NN[C@H](C)COc1ccccc1)c1ccc([O-])c(F)c1 ZINC000811664557 627303088 /nfs/dbraw/zinc/30/30/88/627303088.db2.gz FYLAJOLDENWUOC-GFCCVEGCSA-N -1 3 302.349 3.312 20 30 DGEDHM C[C@@H](COc1ccccc1)NN=Cc1c([O-])cccc1Cl ZINC000811668631 627304033 /nfs/dbraw/zinc/30/40/33/627304033.db2.gz RAPXUJUMUZTAPW-LBPRGKRZSA-N -1 3 304.777 3.437 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H](CCCC#N)c2ccccc2)c1[O-] ZINC000814184339 627548121 /nfs/dbraw/zinc/54/81/21/627548121.db2.gz ZLPJNTPGPUANGQ-FNLSEGDXSA-N -1 3 323.396 3.442 20 30 DGEDHM CC[C@@H](NCc1cn2c(n1)CCCC2)c1cccc(C#N)c1[O-] ZINC000924914693 627693526 /nfs/dbraw/zinc/69/35/26/627693526.db2.gz ZIFVJFBEGUBXAB-MRXNPFEDSA-N -1 3 310.401 3.038 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCCC1(O)CCC1 ZINC000817707733 627936896 /nfs/dbraw/zinc/93/68/96/627936896.db2.gz MKVCUFJNVKXERE-MHWRWJLKSA-N -1 3 312.207 3.269 20 30 DGEDHM CC[C@H](NCc1nc2c(s1)CCC2)c1cccc(C#N)c1[O-] ZINC000926882320 627969507 /nfs/dbraw/zinc/96/95/07/627969507.db2.gz PWCITVLQUPVYBR-ZDUSSCGKSA-N -1 3 313.426 3.450 20 30 DGEDHM C(=NNc1cccc2c1CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000819718214 628183191 /nfs/dbraw/zinc/18/31/91/628183191.db2.gz AYYFJQGFSOIVIY-UHFFFAOYSA-N -1 3 324.413 3.253 20 30 DGEDHM c1ccc2c(c1)CCC[C@@H]2CN=Nc1cccc(-c2nnn[n-]2)c1 ZINC000819719100 628183392 /nfs/dbraw/zinc/18/33/92/628183392.db2.gz ZJVXHZPZKPIQGZ-OAHLLOKOSA-N -1 3 318.384 3.385 20 30 DGEDHM c1ccc2c(c1)CCC[C@@H]2CN=Nc1cccc(-c2nn[n-]n2)c1 ZINC000819719100 628183393 /nfs/dbraw/zinc/18/33/93/628183393.db2.gz ZJVXHZPZKPIQGZ-OAHLLOKOSA-N -1 3 318.384 3.385 20 30 DGEDHM CC(C)c1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000820061935 628219623 /nfs/dbraw/zinc/21/96/23/628219623.db2.gz ULWJJXVJODWPQW-LBPRGKRZSA-N -1 3 314.366 3.455 20 30 DGEDHM C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820455546 628261009 /nfs/dbraw/zinc/26/10/09/628261009.db2.gz JPWNKPOBFVEJLQ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820455546 628261011 /nfs/dbraw/zinc/26/10/11/628261011.db2.gz JPWNKPOBFVEJLQ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820461923 628261752 /nfs/dbraw/zinc/26/17/52/628261752.db2.gz SSMSFFKTUAMKCN-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820461923 628261753 /nfs/dbraw/zinc/26/17/53/628261753.db2.gz SSMSFFKTUAMKCN-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C#C[C@@](C)(CC)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000821004998 628324735 /nfs/dbraw/zinc/32/47/35/628324735.db2.gz WBBCDSASXIRTDC-ZDUSSCGKSA-N -1 3 300.736 3.053 20 30 DGEDHM CCCCCC[C@@H](C)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000821051157 628331961 /nfs/dbraw/zinc/33/19/61/628331961.db2.gz YSUYRPBSARCQHK-LLVKDONJSA-N -1 3 306.439 3.211 20 30 DGEDHM CCCCCC[C@@H](C)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000821051157 628331963 /nfs/dbraw/zinc/33/19/63/628331963.db2.gz YSUYRPBSARCQHK-LLVKDONJSA-N -1 3 306.439 3.211 20 30 DGEDHM COc1ccc(-c2nnn[n-]2)cc1CSc1ccccc1C#N ZINC000821752708 628394809 /nfs/dbraw/zinc/39/48/09/628394809.db2.gz RNKPQFZQESMOIK-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(-c2nn[n-]n2)cc1CSc1ccccc1C#N ZINC000821752708 628394812 /nfs/dbraw/zinc/39/48/12/628394812.db2.gz RNKPQFZQESMOIK-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822378539 628445618 /nfs/dbraw/zinc/44/56/18/628445618.db2.gz BFNUNXILHZIYJT-RQOWECAXSA-N -1 3 302.384 3.194 20 30 DGEDHM Fc1ccc(C2CC(N=Nc3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000822767270 628492087 /nfs/dbraw/zinc/49/20/87/628492087.db2.gz ZSPDWNJJDBITOU-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM Fc1ccc(C2CC(N=Nc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000822767270 628492090 /nfs/dbraw/zinc/49/20/90/628492090.db2.gz ZSPDWNJJDBITOU-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM N#Cc1cc(F)ccc1CSc1ccccc1-c1nnn[n-]1 ZINC000822823803 628499213 /nfs/dbraw/zinc/49/92/13/628499213.db2.gz ZEKKLHFAHNBJLQ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cc(F)ccc1CSc1ccccc1-c1nn[n-]n1 ZINC000822823803 628499215 /nfs/dbraw/zinc/49/92/15/628499215.db2.gz ZEKKLHFAHNBJLQ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000822922558 628509765 /nfs/dbraw/zinc/50/97/65/628509765.db2.gz HJXRQVMKNPLVKG-HJWRWDBZSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000822922558 628509768 /nfs/dbraw/zinc/50/97/68/628509768.db2.gz HJXRQVMKNPLVKG-HJWRWDBZSA-N -1 3 300.337 3.168 20 30 DGEDHM CC(=NNc1ccc(F)cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000823958349 628614225 /nfs/dbraw/zinc/61/42/25/628614225.db2.gz KODKNHPNLRAGHF-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1ccc(F)cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000823958349 628614227 /nfs/dbraw/zinc/61/42/27/628614227.db2.gz KODKNHPNLRAGHF-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CCCCCCCCCC(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000825034328 628719156 /nfs/dbraw/zinc/71/91/56/628719156.db2.gz HSKMCWGFFVFEJH-UHFFFAOYSA-N -1 3 305.422 3.474 20 30 DGEDHM CCC(CC)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825106499 628728876 /nfs/dbraw/zinc/72/88/76/628728876.db2.gz FAINPBMCEKTQDL-UHFFFAOYSA-N -1 3 318.450 3.080 20 30 DGEDHM CCC(CC)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)s1 ZINC000825106499 628728877 /nfs/dbraw/zinc/72/88/77/628728877.db2.gz FAINPBMCEKTQDL-UHFFFAOYSA-N -1 3 318.450 3.080 20 30 DGEDHM CC[C@H]1CCCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825195687 628737113 /nfs/dbraw/zinc/73/71/13/628737113.db2.gz XVTNDHPCFMJYHW-VIFPVBQESA-N -1 3 319.800 3.283 20 30 DGEDHM CC[C@H]1CCCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825195687 628737116 /nfs/dbraw/zinc/73/71/16/628737116.db2.gz XVTNDHPCFMJYHW-VIFPVBQESA-N -1 3 319.800 3.283 20 30 DGEDHM CCCCCCCCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825272185 628745853 /nfs/dbraw/zinc/74/58/53/628745853.db2.gz YKIJPGXAUSYVJX-UHFFFAOYSA-N -1 3 318.425 3.017 20 30 DGEDHM CCCCCCCCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825272185 628745856 /nfs/dbraw/zinc/74/58/56/628745856.db2.gz YKIJPGXAUSYVJX-UHFFFAOYSA-N -1 3 318.425 3.017 20 30 DGEDHM C[C@@H](NC(=O)[O-])c1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000825402220 628758048 /nfs/dbraw/zinc/75/80/48/628758048.db2.gz ISRJJDSDYDACBW-LLVKDONJSA-N -1 3 315.398 3.238 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826268309 628836291 /nfs/dbraw/zinc/83/62/91/628836291.db2.gz SBMSTRQQHCFBJR-TWGQIWQCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826268309 628836295 /nfs/dbraw/zinc/83/62/95/628836295.db2.gz SBMSTRQQHCFBJR-TWGQIWQCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826281389 628837040 /nfs/dbraw/zinc/83/70/40/628837040.db2.gz PJJIKTWUAHSLRC-XQRVVYSFSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000826281389 628837044 /nfs/dbraw/zinc/83/70/44/628837044.db2.gz PJJIKTWUAHSLRC-XQRVVYSFSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826285980 628840444 /nfs/dbraw/zinc/84/04/44/628840444.db2.gz PMNDGQPFIXWTSG-RMKNXTFCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826285980 628840447 /nfs/dbraw/zinc/84/04/47/628840447.db2.gz PMNDGQPFIXWTSG-RMKNXTFCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826295391 628841644 /nfs/dbraw/zinc/84/16/44/628841644.db2.gz FQAADHOIPITTRP-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826295391 628841646 /nfs/dbraw/zinc/84/16/46/628841646.db2.gz FQAADHOIPITTRP-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826296691 628841653 /nfs/dbraw/zinc/84/16/53/628841653.db2.gz GAPDOPKQFMOLEZ-KHPPLWFESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826296691 628841655 /nfs/dbraw/zinc/84/16/55/628841655.db2.gz GAPDOPKQFMOLEZ-KHPPLWFESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826305243 628842812 /nfs/dbraw/zinc/84/28/12/628842812.db2.gz PSJJYEAWUNJHHK-KPKJPENVSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826305243 628842814 /nfs/dbraw/zinc/84/28/14/628842814.db2.gz PSJJYEAWUNJHHK-KPKJPENVSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826315371 628844825 /nfs/dbraw/zinc/84/48/25/628844825.db2.gz HOFIIYLPDOSSRO-HWKANZROSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826315371 628844829 /nfs/dbraw/zinc/84/48/29/628844829.db2.gz HOFIIYLPDOSSRO-HWKANZROSA-N -1 3 314.345 3.272 20 30 DGEDHM Clc1cc(NN=Cc2cccs2)ccc1-c1nnn[n-]1 ZINC000826351325 628845530 /nfs/dbraw/zinc/84/55/30/628845530.db2.gz IIQUUEYCGUPUGP-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1cc(NN=Cc2cccs2)ccc1-c1nn[n-]n1 ZINC000826351325 628845532 /nfs/dbraw/zinc/84/55/32/628845532.db2.gz IIQUUEYCGUPUGP-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1cc(N=NC2CC3(CCC3)C2)ccc1-c1nnn[n-]1 ZINC000826350846 628845598 /nfs/dbraw/zinc/84/55/98/628845598.db2.gz NVJJEGCBZOINAV-UHFFFAOYSA-N -1 3 302.769 3.252 20 30 DGEDHM Clc1cc(N=NC2CC3(CCC3)C2)ccc1-c1nn[n-]n1 ZINC000826350846 628845602 /nfs/dbraw/zinc/84/56/02/628845602.db2.gz NVJJEGCBZOINAV-UHFFFAOYSA-N -1 3 302.769 3.252 20 30 DGEDHM Clc1cc(NN=Cc2ccsc2)ccc1-c1nnn[n-]1 ZINC000826351469 628845622 /nfs/dbraw/zinc/84/56/22/628845622.db2.gz NSCDDJPVYXDNFG-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1cc(NN=Cc2ccsc2)ccc1-c1nn[n-]n1 ZINC000826351469 628845625 /nfs/dbraw/zinc/84/56/25/628845625.db2.gz NSCDDJPVYXDNFG-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826374242 628848969 /nfs/dbraw/zinc/84/89/69/628848969.db2.gz RLPKOVRZLSCFCK-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1ccc(Cl)cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826374921 628849515 /nfs/dbraw/zinc/84/95/15/628849515.db2.gz RTCFMEYNORJQQU-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#CCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381568 628850117 /nfs/dbraw/zinc/85/01/17/628850117.db2.gz QKKFBSSYCPUZGU-INIZCTEOSA-N -1 3 304.357 3.324 20 30 DGEDHM N#Cc1cccc(CSc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826386461 628850617 /nfs/dbraw/zinc/85/06/17/628850617.db2.gz GKAJRCVLBYUBFI-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(CSc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826386461 628850619 /nfs/dbraw/zinc/85/06/19/628850619.db2.gz GKAJRCVLBYUBFI-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM C=CC(C)(C)CCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000826997927 628911659 /nfs/dbraw/zinc/91/16/59/628911659.db2.gz SYLSNSMQQXXQPQ-UHFFFAOYSA-N -1 3 320.339 3.138 20 30 DGEDHM CCC[C@](C)(NCC#Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000829193637 629139281 /nfs/dbraw/zinc/13/92/81/629139281.db2.gz BPPZSQQUVORBIH-HNNXBMFYSA-N -1 3 313.319 3.290 20 30 DGEDHM CCOc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830099319 629225092 /nfs/dbraw/zinc/22/50/92/629225092.db2.gz CJEXDHQEINBLIR-FZKQIMNGSA-N -1 3 324.380 3.433 20 30 DGEDHM Cc1cc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000832871664 629524638 /nfs/dbraw/zinc/52/46/38/629524638.db2.gz VGXYQGQNZFRHRN-SJCJKPOMSA-N -1 3 312.344 3.482 20 30 DGEDHM Cc1cccc2c1CCN([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832974476 629542827 /nfs/dbraw/zinc/54/28/27/629542827.db2.gz NFFQDXRQQYQNFR-SFHVURJKSA-N -1 3 306.365 3.051 20 30 DGEDHM N#CC(C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1ccc2ccccc2n1 ZINC000833062449 629553588 /nfs/dbraw/zinc/55/35/88/629553588.db2.gz BRRMDVKROYLEBV-ZNMIVQPWSA-N -1 3 322.364 3.302 20 30 DGEDHM C[C@@H](NCc1ccc(O[C@H](C)C(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000833541775 629617732 /nfs/dbraw/zinc/61/77/32/629617732.db2.gz SXIBGRKISBSDMU-ZIAGYGMSSA-N -1 3 324.380 3.261 20 30 DGEDHM C[C@]1(COC(=O)c2cc([O-])cc(C#N)c2)CC1(Cl)Cl ZINC000837647341 630292254 /nfs/dbraw/zinc/29/22/54/630292254.db2.gz ZNJIWUTZQWTKMK-GFCCVEGCSA-N -1 3 300.141 3.005 20 30 DGEDHM COCC[C@H](C)C/N=C/c1cc(Br)ccc1[O-] ZINC000840711808 630350655 /nfs/dbraw/zinc/35/06/55/630350655.db2.gz SNCKDWYVBQIAHW-CNOAHFENSA-N -1 3 300.196 3.246 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CCC(F)(F)C1 ZINC000845845223 631198978 /nfs/dbraw/zinc/19/89/78/631198978.db2.gz MWPMLMBEWXTEKQ-JSGCOSHPSA-N -1 3 317.335 3.432 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1cc(F)ccc1Br ZINC000846535740 631255913 /nfs/dbraw/zinc/25/59/13/631255913.db2.gz LRCDXOCPRFUVBP-UHFFFAOYSA-N -1 3 316.170 3.145 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000846545648 631258136 /nfs/dbraw/zinc/25/81/36/631258136.db2.gz YEAXSQLEJPGBJQ-SNVBAGLBSA-N -1 3 322.311 3.175 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cc(Br)ccc1F ZINC000846547727 631259006 /nfs/dbraw/zinc/25/90/06/631259006.db2.gz LWMHYMJSCRUHKB-SECBINFHSA-N -1 3 316.170 3.143 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000846551473 631260377 /nfs/dbraw/zinc/26/03/77/631260377.db2.gz VRUSWAVZRGYIGP-ZDUSSCGKSA-N -1 3 300.358 3.287 20 30 DGEDHM CC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1OC(C)C ZINC000846929744 631356970 /nfs/dbraw/zinc/35/69/70/631356970.db2.gz YRTZSHJUGNQXGV-HNNXBMFYSA-N -1 3 310.344 3.374 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@]12OCCC[C@H]1C2(F)F ZINC000849171604 631852716 /nfs/dbraw/zinc/85/27/16/631852716.db2.gz AQYAHEDKJBZHFF-AOZYLRGASA-N -1 3 301.720 3.279 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(C2CCC2)nn1 ZINC000849243889 631862176 /nfs/dbraw/zinc/86/21/76/631862176.db2.gz OTUQBWQWADNUEC-SZJBZFAYSA-N -1 3 313.332 3.231 20 30 DGEDHM C#CC[C@H]1CCCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC000849344519 631897350 /nfs/dbraw/zinc/89/73/50/631897350.db2.gz NXMZAQSBADJBQO-XHDPSFHLSA-N -1 3 309.768 3.340 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)CC(C)(C)C#N)n[n-]2)o1 ZINC000851212363 632344321 /nfs/dbraw/zinc/34/43/21/632344321.db2.gz RYCOFCDOADAQCQ-NSHDSACASA-N -1 3 301.346 3.463 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)O[C@@H](C)CC(C)(C)C#N)[n-]n2)o1 ZINC000851212363 632344326 /nfs/dbraw/zinc/34/43/26/632344326.db2.gz RYCOFCDOADAQCQ-NSHDSACASA-N -1 3 301.346 3.463 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2cnnn2Cc2ccccc2)ccc1[O-] ZINC000792883343 660991468 /nfs/dbraw/zinc/99/14/68/660991468.db2.gz LEKJDUZAFQEPGC-CSKARUKUSA-N -1 3 319.364 3.237 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(C3CC3)cc2F)c1[O-] ZINC000793656246 661052015 /nfs/dbraw/zinc/05/20/15/661052015.db2.gz RNQNFBKZOFMMMD-AWQFTUOYSA-N -1 3 314.360 3.224 20 30 DGEDHM [O-]c1ccc(F)c(CN=Nc2c(F)c(F)nc(F)c2F)c1F ZINC000794476416 661086437 /nfs/dbraw/zinc/08/64/37/661086437.db2.gz LOCFPHMHSKMENZ-UHFFFAOYSA-N -1 3 321.180 3.068 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2ncc(CN(C)C)s2)ccc1[O-] ZINC000794708894 661100071 /nfs/dbraw/zinc/10/00/71/661100071.db2.gz UZDZCFVLEYDCRM-SREVYHEPSA-N -1 3 302.399 3.115 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2ncc(CN(C)C)s2)ccc1[O-] ZINC000794708895 661100354 /nfs/dbraw/zinc/10/03/54/661100354.db2.gz UZDZCFVLEYDCRM-VOTSOKGWSA-N -1 3 302.399 3.115 20 30 DGEDHM O=C(C=Cc1c(F)ccc([O-])c1F)c1ccc2[nH]c(=O)oc2c1 ZINC000794714269 661100690 /nfs/dbraw/zinc/10/06/90/661100690.db2.gz IEEYJLLZIQTBEJ-DJWKRKHSSA-N -1 3 317.247 3.413 20 30 DGEDHM COc1cc(C(=O)/C=C/c2c(F)ccc([O-])c2F)ccc1O ZINC000794934000 661114516 /nfs/dbraw/zinc/11/45/16/661114516.db2.gz OKJCALPIOKYMNE-ZZXKWVIFSA-N -1 3 306.264 3.281 20 30 DGEDHM COC(=O)c1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794940896 661115285 /nfs/dbraw/zinc/11/52/85/661115285.db2.gz FCOMTVPVGVDKPN-SOFGYWHQSA-N -1 3 318.275 3.353 20 30 DGEDHM CN(C)C(=O)Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255056828 655581525 /nfs/dbraw/zinc/58/15/25/655581525.db2.gz NWJAOKOGPFQAQD-UHFFFAOYSA-N -1 3 316.788 3.427 20 30 DGEDHM CC(C)OCc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255126332 655605050 /nfs/dbraw/zinc/60/50/50/655605050.db2.gz WYIPAWWYGWPLMW-UHFFFAOYSA-N -1 3 301.342 3.479 20 30 DGEDHM Cc1cc(N2CCCC2)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255521953 655790150 /nfs/dbraw/zinc/79/01/50/655790150.db2.gz QUEIGTAAILTXFW-UHFFFAOYSA-N -1 3 312.369 3.463 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2ccc(OC(F)F)c(F)c2)c1O ZINC000255571854 655818687 /nfs/dbraw/zinc/81/86/87/655818687.db2.gz BPKQYTFVPZKXMX-UHFFFAOYSA-N -1 3 313.231 3.295 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccccc2F)c(OC)cc1[O-] ZINC000255601688 655862205 /nfs/dbraw/zinc/86/22/05/655862205.db2.gz FFDHDNSAQZVDDS-FPLPWBNLSA-N -1 3 302.301 3.445 20 30 DGEDHM [O-]c1ccc(Br)cc1C=NNCc1ccccc1 ZINC000714422295 661199229 /nfs/dbraw/zinc/19/92/29/661199229.db2.gz VVPWVUHIGDZFMB-UHFFFAOYSA-N -1 3 305.175 3.278 20 30 DGEDHM C#CCOc1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000811188319 661231104 /nfs/dbraw/zinc/23/11/04/661231104.db2.gz FWYXOWZPWRNEIV-UHFFFAOYSA-N -1 3 301.729 3.310 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cccc(OC(F)F)c2)c1 ZINC000811186192 661231335 /nfs/dbraw/zinc/23/13/35/661231335.db2.gz GBHSFHBDMASIBE-UHFFFAOYSA-N -1 3 319.263 3.222 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C)s1 ZINC000129790528 659105413 /nfs/dbraw/zinc/10/54/13/659105413.db2.gz IADFOXMQJPYFJS-NSHDSACASA-N -1 3 314.366 3.026 20 30 DGEDHM O=C1CCCCCN1CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000060804687 659203840 /nfs/dbraw/zinc/20/38/40/659203840.db2.gz LPVWYNZZRYGGKS-LDADJPATSA-N -1 3 308.809 3.257 20 30 DGEDHM CCCCCCCCc1nnc([N-]C(=O)c2n[nH]nc2C)s1 ZINC000189867578 661994576 /nfs/dbraw/zinc/99/45/76/661994576.db2.gz JUNXAUYCZQLSJU-UHFFFAOYSA-N -1 3 322.438 3.120 20 30 DGEDHM Cc1nsc([N-]C(=O)c2nsc3ccccc32)c1C#N ZINC001585892940 1192288969 /nfs/dbraw/zinc/28/89/69/1192288969.db2.gz UVVXTNRZZHWFLK-UHFFFAOYSA-N -1 3 300.368 3.185 20 30 DGEDHM C#Cc1cccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001586809645 1192351324 /nfs/dbraw/zinc/35/13/24/1192351324.db2.gz PUUMGLWBHHFNQL-UHFFFAOYSA-N -1 3 324.286 3.040 20 30 DGEDHM C#Cc1ccc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)cc1 ZINC001587972510 1192427347 /nfs/dbraw/zinc/42/73/47/1192427347.db2.gz VJGGAIWHYKPCNO-UHFFFAOYSA-N -1 3 321.273 3.354 20 30 DGEDHM C=C[C@@H](C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588467722 1192447352 /nfs/dbraw/zinc/44/73/52/1192447352.db2.gz NFQOFIVMOHCIBD-MRXNPFEDSA-N -1 3 319.368 3.083 20 30 DGEDHM C=C[C@@H](C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588467722 1192447355 /nfs/dbraw/zinc/44/73/55/1192447355.db2.gz NFQOFIVMOHCIBD-MRXNPFEDSA-N -1 3 319.368 3.083 20 30 DGEDHM C=C(C)CCSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588424440 1192447380 /nfs/dbraw/zinc/44/73/80/1192447380.db2.gz IUNLHBMQVAWPTQ-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2C)c1 ZINC001588441929 1192447691 /nfs/dbraw/zinc/44/76/91/1192447691.db2.gz JEKPVFPHPRCIFV-UHFFFAOYSA-N -1 3 319.368 3.461 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2C)c1 ZINC001588441929 1192447695 /nfs/dbraw/zinc/44/76/95/1192447695.db2.gz JEKPVFPHPRCIFV-UHFFFAOYSA-N -1 3 319.368 3.461 20 30 DGEDHM C=C(CC)CNc1c(Br)cccc1-c1nnn[n-]1 ZINC001588442764 1192447832 /nfs/dbraw/zinc/44/78/32/1192447832.db2.gz RAIDPRSQKULOKQ-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=C(CC)CNc1c(Br)cccc1-c1nn[n-]n1 ZINC001588442764 1192447834 /nfs/dbraw/zinc/44/78/34/1192447834.db2.gz RAIDPRSQKULOKQ-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=CC1CCN(c2cccc(C(F)F)c2-c2nnn[n-]2)CC1 ZINC001588530882 1192448761 /nfs/dbraw/zinc/44/87/61/1192448761.db2.gz VZNOAQYJMIDNPQ-UHFFFAOYSA-N -1 3 305.332 3.207 20 30 DGEDHM C=CC1CCN(c2cccc(C(F)F)c2-c2nn[n-]n2)CC1 ZINC001588530882 1192448763 /nfs/dbraw/zinc/44/87/63/1192448763.db2.gz VZNOAQYJMIDNPQ-UHFFFAOYSA-N -1 3 305.332 3.207 20 30 DGEDHM C=C[C@](C)(CC)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588495400 1192449209 /nfs/dbraw/zinc/44/92/09/1192449209.db2.gz DHVAMKIDIWMGJZ-SXSDINLZSA-N -1 3 312.373 3.025 20 30 DGEDHM C=C[C@](C)(CC)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588495400 1192449211 /nfs/dbraw/zinc/44/92/11/1192449211.db2.gz DHVAMKIDIWMGJZ-SXSDINLZSA-N -1 3 312.373 3.025 20 30 DGEDHM C=CCCC(C)(C)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588577339 1192450435 /nfs/dbraw/zinc/45/04/35/1192450435.db2.gz GMTRJRBKBDMKAI-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CCCC(C)(C)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588577339 1192450438 /nfs/dbraw/zinc/45/04/38/1192450438.db2.gz GMTRJRBKBDMKAI-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CC[C@H]1CCCC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588560577 1192450730 /nfs/dbraw/zinc/45/07/30/1192450730.db2.gz SLUPZYYPBZZKOI-GWCFXTLKSA-N -1 3 318.812 3.462 20 30 DGEDHM C=CC[C@H]1CCCC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588560577 1192450734 /nfs/dbraw/zinc/45/07/34/1192450734.db2.gz SLUPZYYPBZZKOI-GWCFXTLKSA-N -1 3 318.812 3.462 20 30 DGEDHM C=CCCC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588578244 1192451468 /nfs/dbraw/zinc/45/14/68/1192451468.db2.gz ZQCIJNCPJGCBHE-UHFFFAOYSA-N -1 3 314.393 3.041 20 30 DGEDHM C=CCCC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588578244 1192451469 /nfs/dbraw/zinc/45/14/69/1192451469.db2.gz ZQCIJNCPJGCBHE-UHFFFAOYSA-N -1 3 314.393 3.041 20 30 DGEDHM CC(C)(C#N)CCSCCc1ccc(-c2nnn[n-]2)cc1 ZINC001589034187 1192455703 /nfs/dbraw/zinc/45/57/03/1192455703.db2.gz TVMWQNQKIGXSSA-UHFFFAOYSA-N -1 3 301.419 3.082 20 30 DGEDHM CC(C)(C#N)CCSCCc1ccc(-c2nn[n-]n2)cc1 ZINC001589034187 1192455707 /nfs/dbraw/zinc/45/57/07/1192455707.db2.gz TVMWQNQKIGXSSA-UHFFFAOYSA-N -1 3 301.419 3.082 20 30 DGEDHM CC(C)(C#N)CCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC001589034378 1192456224 /nfs/dbraw/zinc/45/62/24/1192456224.db2.gz YOTRZVSOIJAPNA-UHFFFAOYSA-N -1 3 305.382 3.179 20 30 DGEDHM CC(C)(C#N)CCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC001589034378 1192456226 /nfs/dbraw/zinc/45/62/26/1192456226.db2.gz YOTRZVSOIJAPNA-UHFFFAOYSA-N -1 3 305.382 3.179 20 30 DGEDHM C[C@@H]1CC(=NNc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001590182185 1192492484 /nfs/dbraw/zinc/49/24/84/1192492484.db2.gz ZHJNZXLVZKFMNR-LLVKDONJSA-N -1 3 304.357 3.190 20 30 DGEDHM CCCCCCCCC(=O)OCc1ccncc1-c1nnn[n-]1 ZINC001590592709 1192527921 /nfs/dbraw/zinc/52/79/21/1192527921.db2.gz FQLZEWLHBWBJAU-UHFFFAOYSA-N -1 3 317.393 3.056 20 30 DGEDHM CCCCCCCCC(=O)OCc1ccncc1-c1nn[n-]n1 ZINC001590592709 1192527930 /nfs/dbraw/zinc/52/79/30/1192527930.db2.gz FQLZEWLHBWBJAU-UHFFFAOYSA-N -1 3 317.393 3.056 20 30 DGEDHM CCCCCCCNC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590592285 1192528131 /nfs/dbraw/zinc/52/81/31/1192528131.db2.gz LRCVPYYWHQHRAO-UHFFFAOYSA-N -1 3 315.421 3.184 20 30 DGEDHM CCCCCCCNC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590592285 1192528135 /nfs/dbraw/zinc/52/81/35/1192528135.db2.gz LRCVPYYWHQHRAO-UHFFFAOYSA-N -1 3 315.421 3.184 20 30 DGEDHM CCc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1F ZINC001590876441 1192552766 /nfs/dbraw/zinc/55/27/66/1192552766.db2.gz ITVCAUWAOWUMDC-UHFFFAOYSA-N -1 3 323.331 3.019 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CSc1cccnc1C#N ZINC001591850107 1192575329 /nfs/dbraw/zinc/57/53/29/1192575329.db2.gz CGLUPBCAWMTNPS-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CSc1cccnc1C#N ZINC001591850107 1192575333 /nfs/dbraw/zinc/57/53/33/1192575333.db2.gz CGLUPBCAWMTNPS-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(N[C@@H](CCC#N)c2ccccc2)n1 ZINC001591857676 1192576796 /nfs/dbraw/zinc/57/67/96/1192576796.db2.gz JPHBZFSRIUYXKG-HNNXBMFYSA-N -1 3 319.372 3.027 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(N[C@@H](CCC#N)c2ccccc2)n1 ZINC001591857676 1192576800 /nfs/dbraw/zinc/57/68/00/1192576800.db2.gz JPHBZFSRIUYXKG-HNNXBMFYSA-N -1 3 319.372 3.027 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1csc(Cl)c1 ZINC001592794551 1192627332 /nfs/dbraw/zinc/62/73/32/1192627332.db2.gz PIDBCSXRFWXACO-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1csc(Cl)c1 ZINC001592794551 1192627335 /nfs/dbraw/zinc/62/73/35/1192627335.db2.gz PIDBCSXRFWXACO-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM N#Cc1ccc(CNc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC001592694519 1192626083 /nfs/dbraw/zinc/62/60/83/1192626083.db2.gz YOGMEQDPRUOIFY-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(CNc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC001592694519 1192626085 /nfs/dbraw/zinc/62/60/85/1192626085.db2.gz YOGMEQDPRUOIFY-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1c(F)cccc1SCc1cccc(-c2nnn[n-]2)c1 ZINC001592686434 1192626370 /nfs/dbraw/zinc/62/63/70/1192626370.db2.gz JRWBQTORBYTFHB-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1c(F)cccc1SCc1cccc(-c2nn[n-]n2)c1 ZINC001592686434 1192626372 /nfs/dbraw/zinc/62/63/72/1192626372.db2.gz JRWBQTORBYTFHB-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1ccc(F)cc1F ZINC001592700651 1192627551 /nfs/dbraw/zinc/62/75/51/1192627551.db2.gz OCFYTLMSVDRZFO-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1ccc(F)cc1F ZINC001592700651 1192627554 /nfs/dbraw/zinc/62/75/54/1192627554.db2.gz OCFYTLMSVDRZFO-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001592791768 1192627861 /nfs/dbraw/zinc/62/78/61/1192627861.db2.gz KQZPAYYKALFSHD-FNORWQNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001592791768 1192627862 /nfs/dbraw/zinc/62/78/62/1192627862.db2.gz KQZPAYYKALFSHD-FNORWQNLSA-N -1 3 312.279 3.041 20 30 DGEDHM C#CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C(C)C ZINC001597083208 1192717986 /nfs/dbraw/zinc/71/79/86/1192717986.db2.gz DYBGLWUCYSELIM-UHFFFAOYSA-N -1 3 307.393 3.467 20 30 DGEDHM CC(C)(CCC(=O)N([O-])CCCCc1ccccc1)[N+](=O)[O-] ZINC001641864732 1194875618 /nfs/dbraw/zinc/87/56/18/1194875618.db2.gz BWPFDULMNKBLRG-UHFFFAOYSA-N -1 3 308.378 3.063 20 30 DGEDHM O=C(c1ccc[nH]c1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001641848368 1194874540 /nfs/dbraw/zinc/87/45/40/1194874540.db2.gz SXZCNXDSHSWZHC-UHFFFAOYSA-N -1 3 313.140 3.126 20 30 DGEDHM C=CCC1(C(=O)OCc2nnc(-c3ccccc3[O-])o2)CCC1 ZINC001332249786 1178404627 /nfs/dbraw/zinc/40/46/27/1178404627.db2.gz JUQBGRCBDIGAOL-UHFFFAOYSA-N -1 3 314.341 3.232 20 30 DGEDHM N#Cc1cc(F)ccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC001601088707 1192917053 /nfs/dbraw/zinc/91/70/53/1192917053.db2.gz DVHHIYODFNFEBQ-YESZJQIVSA-N -1 3 316.376 3.163 20 30 DGEDHM N#Cc1ccc(CN(Cc2ccccc2CC(=O)[O-])C2CC2)cc1 ZINC001601100041 1192918684 /nfs/dbraw/zinc/91/86/84/1192918684.db2.gz FKDJCMWSJCUCRD-UHFFFAOYSA-N -1 3 320.392 3.350 20 30 DGEDHM N#Cc1cccc([C@H](N[C@@H](c2ccccn2)C2CCC2)C(=O)[O-])c1 ZINC001601118807 1192919861 /nfs/dbraw/zinc/91/98/61/1192919861.db2.gz LUJRJDLUFWOXOU-MSOLQXFVSA-N -1 3 321.380 3.210 20 30 DGEDHM N#Cc1cccc([C@H](N[C@H](c2ccccn2)C2CCC2)C(=O)[O-])c1 ZINC001601118809 1192920113 /nfs/dbraw/zinc/92/01/13/1192920113.db2.gz LUJRJDLUFWOXOU-ROUUACIJSA-N -1 3 321.380 3.210 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@H]2CCc3c2cccc3F)C(=O)[O-])c1 ZINC001601119426 1192920165 /nfs/dbraw/zinc/92/01/65/1192920165.db2.gz QDTFXUFWHPYYLH-DLBZAZTESA-N -1 3 310.328 3.100 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1C1CCCC1 ZINC001341904175 1179078817 /nfs/dbraw/zinc/07/88/17/1179078817.db2.gz PZCXQVYMDAZBOV-HNNXBMFYSA-N -1 3 323.400 3.204 20 30 DGEDHM N#CC(=C([O-])C=CSCc1ccco1)c1cccc(F)n1 ZINC001342644708 1179165492 /nfs/dbraw/zinc/16/54/92/1179165492.db2.gz YGXFKHGCCNXAQT-XYLWRLHESA-N -1 3 302.330 3.437 20 30 DGEDHM N#CC(=C([O-])c1ccccc1OC(F)F)c1cccc(F)n1 ZINC001347123225 1179779809 /nfs/dbraw/zinc/77/98/09/1179779809.db2.gz JPIITTJITNSIBJ-SNVBAGLBSA-N -1 3 306.243 3.312 20 30 DGEDHM C#C[C@@H](NCc1ccc(C(=O)[O-])c(Br)c1)C(C)(C)C ZINC001602679261 1192994600 /nfs/dbraw/zinc/99/46/00/1192994600.db2.gz VQLDINDLLKRZPK-CYBMUJFWSA-N -1 3 324.218 3.285 20 30 DGEDHM C=C1CCC(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)CC1 ZINC001602775205 1192997132 /nfs/dbraw/zinc/99/71/32/1192997132.db2.gz KEEBMOGJBHQUHJ-UHFFFAOYSA-N -1 3 323.400 3.429 20 30 DGEDHM C=C1CCC(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)CC1 ZINC001602775205 1192997133 /nfs/dbraw/zinc/99/71/33/1192997133.db2.gz KEEBMOGJBHQUHJ-UHFFFAOYSA-N -1 3 323.400 3.429 20 30 DGEDHM C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001603132145 1193008706 /nfs/dbraw/zinc/00/87/06/1193008706.db2.gz SOGVWNLJSMJMQG-AWEZNQCLSA-N -1 3 324.380 3.308 20 30 DGEDHM CC(C)C1CCC(Nc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001603245066 1193012364 /nfs/dbraw/zinc/01/23/64/1193012364.db2.gz VXEMBINAHJEKDI-UHFFFAOYSA-N -1 3 310.405 3.365 20 30 DGEDHM CC(C)C1CCC(Nc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001603245066 1193012365 /nfs/dbraw/zinc/01/23/65/1193012365.db2.gz VXEMBINAHJEKDI-UHFFFAOYSA-N -1 3 310.405 3.365 20 30 DGEDHM CC1(C)CCCC(=Cc2cccc(F)c2-c2nnn[n-]2)C1=O ZINC001603774334 1193030776 /nfs/dbraw/zinc/03/07/76/1193030776.db2.gz OLBQWKJGIOXEFS-PKNBQFBNSA-N -1 3 300.337 3.168 20 30 DGEDHM CC1(C)CCCC(=Cc2cccc(F)c2-c2nn[n-]n2)C1=O ZINC001603774334 1193030778 /nfs/dbraw/zinc/03/07/78/1193030778.db2.gz OLBQWKJGIOXEFS-PKNBQFBNSA-N -1 3 300.337 3.168 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001603826334 1193033723 /nfs/dbraw/zinc/03/37/23/1193033723.db2.gz JQCJKDFOZUOSQI-RSYJBZMQSA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001603826334 1193033725 /nfs/dbraw/zinc/03/37/25/1193033725.db2.gz JQCJKDFOZUOSQI-RSYJBZMQSA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]1C ZINC001603839223 1193034142 /nfs/dbraw/zinc/03/41/42/1193034142.db2.gz FRSCNDCJOWBVLF-YUMQZZPRSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]1C ZINC001603839223 1193034145 /nfs/dbraw/zinc/03/41/45/1193034145.db2.gz FRSCNDCJOWBVLF-YUMQZZPRSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@@H]1C[C@H]1c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC001603870616 1193036422 /nfs/dbraw/zinc/03/64/22/1193036422.db2.gz JDKVUOIMODPTLL-QMTHXVAHSA-N -1 3 308.345 3.029 20 30 DGEDHM C[C@@H]1C[C@H]1c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC001603870616 1193036423 /nfs/dbraw/zinc/03/64/23/1193036423.db2.gz JDKVUOIMODPTLL-QMTHXVAHSA-N -1 3 308.345 3.029 20 30 DGEDHM CCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001604176517 1193058815 /nfs/dbraw/zinc/05/88/15/1193058815.db2.gz UGGFOZGFMOJATQ-UHFFFAOYSA-N -1 3 319.384 3.096 20 30 DGEDHM CCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001604176517 1193058818 /nfs/dbraw/zinc/05/88/18/1193058818.db2.gz UGGFOZGFMOJATQ-UHFFFAOYSA-N -1 3 319.384 3.096 20 30 DGEDHM C[C@@H](NCC1(C#N)CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001604339124 1193066538 /nfs/dbraw/zinc/06/65/38/1193066538.db2.gz VZBPDSUURIAFNL-GFCCVEGCSA-N -1 3 302.374 3.215 20 30 DGEDHM N#CC(=C([O-])c1ccc(CN2CCCCC2)o1)c1ccccn1 ZINC001356240286 1181162388 /nfs/dbraw/zinc/16/23/88/1181162388.db2.gz XKDGKEYORUECCX-HNNXBMFYSA-N -1 3 309.369 3.151 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](CC(C)C)N1CCCCC1=O ZINC001651227153 1195428453 /nfs/dbraw/zinc/42/84/53/1195428453.db2.gz FIBLFPRQWMXOES-OAHLLOKOSA-N -1 3 312.454 3.212 20 30 DGEDHM COc1ccc(C)cc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001605264377 1193136910 /nfs/dbraw/zinc/13/69/10/1193136910.db2.gz KSTYOXZBDGUMAY-BQYQJAHWSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001605264377 1193136922 /nfs/dbraw/zinc/13/69/22/1193136922.db2.gz KSTYOXZBDGUMAY-BQYQJAHWSA-N -1 3 320.352 3.080 20 30 DGEDHM C=CCCCCCCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC001450781556 1182258261 /nfs/dbraw/zinc/25/82/61/1182258261.db2.gz IISPSKKBUFLMAN-UHFFFAOYSA-N -1 3 304.369 3.353 20 30 DGEDHM Cc1cc(CNc2ccc(Cl)c(C#N)c2)ccc1-c1nnn[n-]1 ZINC001605661654 1193162975 /nfs/dbraw/zinc/16/29/75/1193162975.db2.gz DUTBSYNAYINKSO-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1cc(CNc2ccc(Cl)c(C#N)c2)ccc1-c1nn[n-]n1 ZINC001605661654 1193162977 /nfs/dbraw/zinc/16/29/77/1193162977.db2.gz DUTBSYNAYINKSO-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM N#CCc1ccsc1C(=O)N([O-])Cc1ccccc1Cl ZINC001457995484 1182489130 /nfs/dbraw/zinc/48/91/30/1182489130.db2.gz VDOYBJPUILLTBQ-UHFFFAOYSA-N -1 3 306.774 3.499 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001458011258 1182489845 /nfs/dbraw/zinc/48/98/45/1182489845.db2.gz MWWSLHJTCYPIIO-BETUJISGSA-N -1 3 314.426 3.088 20 30 DGEDHM CCCCN([O-])C(=O)CC(C)(C)NC(=O)OCc1ccccc1 ZINC001458021593 1182489913 /nfs/dbraw/zinc/48/99/13/1182489913.db2.gz HCCIYWGKWUKWNT-UHFFFAOYSA-N -1 3 322.405 3.099 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cc(Br)cnc1F ZINC001458011769 1182490363 /nfs/dbraw/zinc/49/03/63/1182490363.db2.gz PYIZQTQKLJZPPZ-UHFFFAOYSA-N -1 3 319.174 3.395 20 30 DGEDHM Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1 ZINC001605884034 1193182700 /nfs/dbraw/zinc/18/27/00/1193182700.db2.gz OSDWQCADRQZGOZ-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1 ZINC001605884034 1193182703 /nfs/dbraw/zinc/18/27/03/1193182703.db2.gz OSDWQCADRQZGOZ-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM CCCCCCC[C@@H](C)C[N-]S(=O)(=O)c1conc1C ZINC001462899472 1183000178 /nfs/dbraw/zinc/00/01/78/1183000178.db2.gz IEZWTBLZVPECEN-GFCCVEGCSA-N -1 3 302.440 3.258 20 30 DGEDHM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001606368481 1193199650 /nfs/dbraw/zinc/19/96/50/1193199650.db2.gz ONEBTWQIVAUDRK-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001606368481 1193199652 /nfs/dbraw/zinc/19/96/52/1193199652.db2.gz ONEBTWQIVAUDRK-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001606482412 1193199838 /nfs/dbraw/zinc/19/98/38/1193199838.db2.gz SFQDTCOTEHALIP-RMKNXTFCSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001606482412 1193199840 /nfs/dbraw/zinc/19/98/40/1193199840.db2.gz SFQDTCOTEHALIP-RMKNXTFCSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001606481872 1193200144 /nfs/dbraw/zinc/20/01/44/1193200144.db2.gz FQXHMVWYJUAHKA-RMKNXTFCSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001606481872 1193200146 /nfs/dbraw/zinc/20/01/46/1193200146.db2.gz FQXHMVWYJUAHKA-RMKNXTFCSA-N -1 3 310.744 3.416 20 30 DGEDHM C=CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001464762976 1183110432 /nfs/dbraw/zinc/11/04/32/1183110432.db2.gz AZXHCDIOHCZAIQ-UHFFFAOYSA-N -1 3 311.300 3.087 20 30 DGEDHM O=C(CSCc1cccnc1)N([O-])Cc1ccccc1Cl ZINC001472618764 1183657298 /nfs/dbraw/zinc/65/72/98/1183657298.db2.gz HDSLPQYQSKBGCP-UHFFFAOYSA-N -1 3 322.817 3.386 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001474972976 1183982971 /nfs/dbraw/zinc/98/29/71/1183982971.db2.gz UDXKPZQXFRBFBI-NSHDSACASA-N -1 3 308.428 3.053 20 30 DGEDHM N#Cc1cc(Cl)ccc1CN1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001608197174 1193282554 /nfs/dbraw/zinc/28/25/54/1193282554.db2.gz RRBYXOCFLOJQBT-RHSMWYFYSA-N -1 3 318.804 3.288 20 30 DGEDHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001608207451 1193282823 /nfs/dbraw/zinc/28/28/23/1193282823.db2.gz IVVMOUGTSNNMSW-OAHLLOKOSA-N -1 3 300.745 3.127 20 30 DGEDHM C#CCCNc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001609020506 1193321111 /nfs/dbraw/zinc/32/11/11/1193321111.db2.gz MDSWKYNPYONMGE-UHFFFAOYSA-N -1 3 305.341 3.094 20 30 DGEDHM C#CCCNc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001609020506 1193321113 /nfs/dbraw/zinc/32/11/13/1193321113.db2.gz MDSWKYNPYONMGE-UHFFFAOYSA-N -1 3 305.341 3.094 20 30 DGEDHM CCCCCCCSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC001609209301 1193331383 /nfs/dbraw/zinc/33/13/83/1193331383.db2.gz XFSCWDNRXIVYAS-UHFFFAOYSA-N -1 3 306.439 3.336 20 30 DGEDHM CCCCCCCSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001609209301 1193331385 /nfs/dbraw/zinc/33/13/85/1193331385.db2.gz XFSCWDNRXIVYAS-UHFFFAOYSA-N -1 3 306.439 3.336 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccccc2F)ccc1-c1nnn[n-]1 ZINC001609399906 1193336502 /nfs/dbraw/zinc/33/65/02/1193336502.db2.gz TUWFHOWWVSADKL-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccccc2F)ccc1-c1nn[n-]n1 ZINC001609399906 1193336505 /nfs/dbraw/zinc/33/65/05/1193336505.db2.gz TUWFHOWWVSADKL-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609397889 1193336748 /nfs/dbraw/zinc/33/67/48/1193336748.db2.gz FASILXWLCAVIJC-FPYGCLRLSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609397889 1193336751 /nfs/dbraw/zinc/33/67/51/1193336751.db2.gz FASILXWLCAVIJC-FPYGCLRLSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001609421227 1193337137 /nfs/dbraw/zinc/33/71/37/1193337137.db2.gz UWVCZEHXSHIJMA-HJWRWDBZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001609421227 1193337139 /nfs/dbraw/zinc/33/71/39/1193337139.db2.gz UWVCZEHXSHIJMA-HJWRWDBZSA-N -1 3 304.353 3.380 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC001609517735 1193343793 /nfs/dbraw/zinc/34/37/93/1193343793.db2.gz LFLUDYFDPXVXCV-BQYQJAHWSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC001609517735 1193343802 /nfs/dbraw/zinc/34/38/02/1193343802.db2.gz LFLUDYFDPXVXCV-BQYQJAHWSA-N -1 3 310.744 3.416 20 30 DGEDHM N#Cc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1F ZINC001610628284 1193401900 /nfs/dbraw/zinc/40/19/00/1193401900.db2.gz VNESHRDWQLCYAB-KRWDZBQOSA-N -1 3 312.344 3.393 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccc(C)c(Br)c1 ZINC001611657887 1193439089 /nfs/dbraw/zinc/43/90/89/1193439089.db2.gz LSFOWRBCCNIHDK-UHFFFAOYSA-N -1 3 300.196 3.318 20 30 DGEDHM Cc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cc1O ZINC001611650546 1193439440 /nfs/dbraw/zinc/43/94/40/1193439440.db2.gz BKWINNUZTVKRQB-UHFFFAOYSA-N -1 3 305.761 3.315 20 30 DGEDHM COC(=O)c1cc(C)c(C(=O)N([O-])Cc2ccccc2Cl)o1 ZINC001611651030 1193439491 /nfs/dbraw/zinc/43/94/91/1193439491.db2.gz WBXVOVCOXYQECA-UHFFFAOYSA-N -1 3 323.732 3.060 20 30 DGEDHM N#Cc1ccc(C(=O)[N-]c2nc(-c3ccccc3)ns2)c(F)c1 ZINC001516047809 1186776254 /nfs/dbraw/zinc/77/62/54/1186776254.db2.gz FNQWIWOIMDDQIK-UHFFFAOYSA-N -1 3 324.340 3.468 20 30 DGEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)ccc1C ZINC001520036046 1186912293 /nfs/dbraw/zinc/91/22/93/1186912293.db2.gz IVRATUMOANYFPP-CYBMUJFWSA-N -1 3 315.760 3.075 20 30 DGEDHM C=C1CCC(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)CC1 ZINC001534443253 1187900775 /nfs/dbraw/zinc/90/07/75/1187900775.db2.gz YWOXAYNVLLHTTN-UHFFFAOYSA-N -1 3 313.357 3.034 20 30 DGEDHM [O-]c1ccc(Cl)cc1C=NC[C@@H]1CCCO[C@@H]1c1cc[nH]n1 ZINC001548999677 1188486630 /nfs/dbraw/zinc/48/66/30/1188486630.db2.gz BUVMACMKNYVVPO-RPDYWYKXSA-N -1 3 319.792 3.356 20 30 DGEDHM CC(C)c1ccc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c([O-])c1 ZINC001558036730 1189100834 /nfs/dbraw/zinc/10/08/34/1189100834.db2.gz YSCKXCNAIOFEBG-KRWDZBQOSA-N -1 3 320.392 3.284 20 30 DGEDHM O=C(c1conc1C1CC1)N([O-])CCCCc1ccccc1 ZINC001559034149 1189164076 /nfs/dbraw/zinc/16/40/76/1189164076.db2.gz OIKWQZOGJLLLFG-UHFFFAOYSA-N -1 3 300.358 3.406 20 30 DGEDHM CCCCCCN([O-])C(=O)CCOCC(F)(F)C(F)(F)F ZINC001559034875 1189164703 /nfs/dbraw/zinc/16/47/03/1189164703.db2.gz SOMLNIOYKCRJFH-UHFFFAOYSA-N -1 3 321.286 3.389 20 30 DGEDHM CCCCCCN([O-])C(=O)C(C)(C)CNC(=O)OC(C)(C)C ZINC001559034854 1189164714 /nfs/dbraw/zinc/16/47/14/1189164714.db2.gz RSZDKTBJDIUNGC-UHFFFAOYSA-N -1 3 316.442 3.335 20 30 DGEDHM O=C(c1n[nH]c2c1CCCC2)N([O-])Cc1cccc2ccccc21 ZINC001559036383 1189164858 /nfs/dbraw/zinc/16/48/58/1189164858.db2.gz GJZVWDIPGGSOKK-UHFFFAOYSA-N -1 3 321.380 3.473 20 30 DGEDHM C=C(C)CCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001559925257 1189257378 /nfs/dbraw/zinc/25/73/78/1189257378.db2.gz OVRRXNIAHRPGLZ-ZDUSSCGKSA-N -1 3 312.335 3.062 20 30 DGEDHM CC(C)(NCc1nc(=O)c2sccc2[n-]1)c1cccc(C#N)c1 ZINC001559992125 1189265804 /nfs/dbraw/zinc/26/58/04/1189265804.db2.gz QTWRNQNKBUUFIS-UHFFFAOYSA-N -1 3 324.409 3.293 20 30 DGEDHM C#CCOc1cc(F)ccc1NC(=O)c1cccc(CC)c1[O-] ZINC001566160823 1189748925 /nfs/dbraw/zinc/74/89/25/1189748925.db2.gz IZFOTHLMJALWET-UHFFFAOYSA-N -1 3 313.328 3.358 20 30 DGEDHM CC(C)c1ccc(C(=O)NCc2ccc(C#N)s2)c([O-])c1 ZINC001570458341 1190863265 /nfs/dbraw/zinc/86/32/65/1190863265.db2.gz PBEWCNHTXIPALP-UHFFFAOYSA-N -1 3 300.383 3.379 20 30 DGEDHM C=CCCCC(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001627540543 1194134054 /nfs/dbraw/zinc/13/40/54/1194134054.db2.gz HVXKPUHJQJTPLV-UHFFFAOYSA-N -1 3 301.346 3.034 20 30 DGEDHM CC(C)c1ccc(C(=O)N[C@H](CC#N)C(F)(F)F)c([O-])c1 ZINC001635288305 1194542397 /nfs/dbraw/zinc/54/23/97/1194542397.db2.gz JXJGFJSYKLGMNZ-GFCCVEGCSA-N -1 3 300.280 3.090 20 30 DGEDHM CC(=O)c1cccc(NC(=O)C=CC(=O)c2ccc(C)cc2)c1[O-] ZINC001638113440 1194703062 /nfs/dbraw/zinc/70/30/62/1194703062.db2.gz KUCBQGBCVVBCOT-ZHACJKMWSA-N -1 3 323.348 3.281 20 30 DGEDHM N#Cc1ccc(CC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001639058492 1194748783 /nfs/dbraw/zinc/74/87/83/1194748783.db2.gz JMWXKWNTPBGHRX-UHFFFAOYSA-N -1 3 308.381 3.341 20 30 DGEDHM O=C(c1n[nH]c2c1CCCC2)N([O-])CCCCc1ccccc1 ZINC001639058609 1194749010 /nfs/dbraw/zinc/74/90/10/1194749010.db2.gz NGBBCFONJKUKQN-UHFFFAOYSA-N -1 3 313.401 3.143 20 30 DGEDHM CC(C)(C)OC(=O)CCC(=O)N([O-])CCCCc1ccccc1 ZINC001639062527 1194749212 /nfs/dbraw/zinc/74/92/12/1194749212.db2.gz SWQIMNWMCQWWCB-UHFFFAOYSA-N -1 3 321.417 3.349 20 30 DGEDHM O=C(c1c[nH]c(C2CC2)n1)N([O-])Cc1cccc2ccccc21 ZINC001639075386 1194750064 /nfs/dbraw/zinc/75/00/64/1194750064.db2.gz MOWQAZZDLHFBCF-UHFFFAOYSA-N -1 3 307.353 3.472 20 30 DGEDHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(C#N)o1 ZINC001641479144 1194856364 /nfs/dbraw/zinc/85/63/64/1194856364.db2.gz KCVGFFZOYBSCIC-UHFFFAOYSA-N -1 3 321.130 3.180 20 30 DGEDHM CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CCCN([O-])C1=O ZINC001641521729 1194858346 /nfs/dbraw/zinc/85/83/46/1194858346.db2.gz RTHNYIYTPREQNQ-LSDHHAIUSA-N -1 3 312.454 3.260 20 30 DGEDHM COc1cc(C(=O)N([O-])Cc2cccc3ccccc32)ccn1 ZINC001641873271 1194876452 /nfs/dbraw/zinc/87/64/52/1194876452.db2.gz MVHCGIUIRZNHAJ-UHFFFAOYSA-N -1 3 308.337 3.275 20 30 DGEDHM COc1ccc2c(c1)[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)CC2 ZINC001641878141 1194877143 /nfs/dbraw/zinc/87/71/43/1194877143.db2.gz WIVKAPNRSGCELZ-INIZCTEOSA-N -1 3 315.344 3.282 20 30 DGEDHM COc1cccc([C@H](C)CC(=O)[N-]Oc2cccc(C#N)c2)c1 ZINC001643518168 1195031298 /nfs/dbraw/zinc/03/12/98/1195031298.db2.gz WJUAQTOIQXYGBA-CYBMUJFWSA-N -1 3 310.353 3.171 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001644300667 1195097002 /nfs/dbraw/zinc/09/70/02/1195097002.db2.gz QUYIIWWBAJKRMW-VIFPVBQESA-N -1 3 323.190 3.095 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1COc2cc(OC)ccc2C1 ZINC001651228153 1195429199 /nfs/dbraw/zinc/42/91/99/1195429199.db2.gz YJKXXGDGAYKDNJ-AWEZNQCLSA-N -1 3 307.390 3.044 20 30 DGEDHM C[C@@H]1Cc2cccc(C(=O)N([O-])Cc3ccc(F)cc3)c2O1 ZINC001651237862 1195431564 /nfs/dbraw/zinc/43/15/64/1195431564.db2.gz CRUDMTOOQLWPJK-LLVKDONJSA-N -1 3 301.317 3.181 20 30 DGEDHM CCCCOc1ccc(C(=O)NCc2cccc(C#N)c2)c([O-])c1 ZINC001654200379 1195783636 /nfs/dbraw/zinc/78/36/36/1195783636.db2.gz DTWWYMQXXRNLPF-UHFFFAOYSA-N -1 3 324.380 3.373 20 30 DGEDHM Cn1ncc(C(=O)N([O-])Cc2ccccc2Cl)c1C(F)F ZINC001654814464 1195843384 /nfs/dbraw/zinc/84/33/84/1195843384.db2.gz VQMXQNGSLIVLDP-UHFFFAOYSA-N -1 3 315.707 3.043 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC001654819409 1195843984 /nfs/dbraw/zinc/84/39/84/1195843984.db2.gz BGKUIOMPESHUPY-AWEZNQCLSA-N -1 3 312.454 3.260 20 30 DGEDHM CCCCCCN([O-])C(=O)c1sc(-c2cnn(C)c2)nc1C ZINC001654819993 1195844459 /nfs/dbraw/zinc/84/44/59/1195844459.db2.gz ZXKCTYCJTVHLCD-UHFFFAOYSA-N -1 3 322.434 3.264 20 30 DGEDHM N#Cc1ccc(SCc2cc(=O)[n-]c(-c3ccccc3)n2)nc1 ZINC001656214834 1196018645 /nfs/dbraw/zinc/01/86/45/1196018645.db2.gz ARTWAPAIYJXLHK-UHFFFAOYSA-N -1 3 320.377 3.408 20 30 DGEDHM CCCCCCCCC[N-]S(=O)(=O)c1cnc(C)s1 ZINC001661184345 1196576987 /nfs/dbraw/zinc/57/69/87/1196576987.db2.gz BKDPYQCPWSTFRB-UHFFFAOYSA-N -1 3 304.481 3.480 20 30 DGEDHM C=CCC1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CCCC1 ZINC001663319432 1196834971 /nfs/dbraw/zinc/83/49/71/1196834971.db2.gz DETVVMJQKQSETK-UHFFFAOYSA-N -1 3 315.385 3.380 20 30 DGEDHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)CC1 ZINC001665300423 1197120579 /nfs/dbraw/zinc/12/05/79/1197120579.db2.gz OTBHQCMZUMIKBY-XYPYZODXSA-N -1 3 317.863 3.180 20 30 DGEDHM C=C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001573314326 947228387 /nfs/dbraw/zinc/22/83/87/947228387.db2.gz ATOGJFCIQLPGIS-INIZCTEOSA-N -1 3 320.352 3.259 20 30 DGEDHM C=C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001573314326 947228396 /nfs/dbraw/zinc/22/83/96/947228396.db2.gz ATOGJFCIQLPGIS-INIZCTEOSA-N -1 3 320.352 3.259 20 30 DGEDHM C=CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001602728872 971397633 /nfs/dbraw/zinc/39/76/33/971397633.db2.gz LXUCRQZJYWJPHX-QGZVFWFLSA-N -1 3 315.344 3.306 20 30 DGEDHM CC(C)(C)[C@H](C(=O)[O-])C(=O)C(C#N)c1nc2ccccc2s1 ZINC001588630820 959606053 /nfs/dbraw/zinc/60/60/53/959606053.db2.gz HWHPVJYLQUCBSZ-SKDRFNHKSA-N -1 3 316.382 3.219 20 30 DGEDHM C#CC[C@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccccc1 ZINC001588421681 983441939 /nfs/dbraw/zinc/44/19/39/983441939.db2.gz CAFYCRLRGFUEKL-SFHVURJKSA-N -1 3 322.408 3.377 20 30 DGEDHM C=CC[C@H](C(=O)[O-])N1CCc2cc(C)cc(Br)c2C1 ZINC001588731891 984011986 /nfs/dbraw/zinc/01/19/86/984011986.db2.gz PXIDOQNQSPPBEY-CQSZACIVSA-N -1 3 324.218 3.145 20 30 DGEDHM CN(Cc1cccc(C(=O)[O-])c1C#N)C1CCC(F)(F)CC1 ZINC001598525291 992711897 /nfs/dbraw/zinc/71/18/97/992711897.db2.gz FOXPINHACXSBFH-UHFFFAOYSA-N -1 3 308.328 3.266 20 30 DGEDHM CC(C)N(Cc1ccc(C(=O)[O-])n1C)Cc1ccc(C#N)cc1 ZINC001591596485 992823034 /nfs/dbraw/zinc/82/30/34/992823034.db2.gz GCSHEMKQQUTGRE-UHFFFAOYSA-N -1 3 311.385 3.006 20 30 DGEDHM C[C@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1cccc(C#N)c1 ZINC001593289598 994665460 /nfs/dbraw/zinc/66/54/60/994665460.db2.gz VKCFBIVXLLIHGQ-ZDUSSCGKSA-N -1 3 323.396 3.245 20 30 DGEDHM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccc(C#N)c(F)c1 ZINC001593304829 994756043 /nfs/dbraw/zinc/75/60/43/994756043.db2.gz RFXWQGBAKBDHKQ-LBPRGKRZSA-N -1 3 312.344 3.175 20 30 DGEDHM COc1ccc(CN[C@@H](C)c2ccc(C(=O)[O-])cc2C)cc1C#N ZINC001599571669 998374754 /nfs/dbraw/zinc/37/47/54/998374754.db2.gz WRCSSRHWVBJBME-ZDUSSCGKSA-N -1 3 324.380 3.424 20 30 DGEDHM Cc1nc[nH]c1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184236235 1084132855 /nfs/dbraw/zinc/13/28/55/1084132855.db2.gz VUZSONVLIKFSRH-UHFFFAOYSA-N -1 3 300.145 3.057 20 30 DGEDHM CN1C(=O)Cc2cc(N=Cc3cc(Cl)ccc3[O-])ccc21 ZINC000588610460 1082844429 /nfs/dbraw/zinc/84/44/29/1082844429.db2.gz MQGQAEMLJJKKSJ-UHFFFAOYSA-N -1 3 300.745 3.315 20 30 DGEDHM C=CCC[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OCC ZINC001181826720 1083550344 /nfs/dbraw/zinc/55/03/44/1083550344.db2.gz GQFNMDKRUJSYIY-CQSZACIVSA-N -1 3 311.809 3.342 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC001184305306 1084143817 /nfs/dbraw/zinc/14/38/17/1084143817.db2.gz FLILZBFGDACDNI-INIZCTEOSA-N -1 3 318.417 3.228 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccc(Br)cc1F ZINC001184315011 1084148025 /nfs/dbraw/zinc/14/80/25/1084148025.db2.gz OQRTTYOSEISZSQ-UHFFFAOYSA-N -1 3 304.159 3.149 20 30 DGEDHM N#Cc1cnn(-c2ccccc2)c1Nc1ccc([O-])c(F)c1F ZINC001212003326 1087133000 /nfs/dbraw/zinc/13/30/00/1087133000.db2.gz WIJCCZLQJAVRTJ-UHFFFAOYSA-N -1 3 312.279 3.471 20 30 DGEDHM C=CCCCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001158345656 1087783845 /nfs/dbraw/zinc/78/38/45/1087783845.db2.gz PTXWISYZYXNGQC-UHFFFAOYSA-N -1 3 313.357 3.062 20 30 DGEDHM C=CCCCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001158345656 1087783857 /nfs/dbraw/zinc/78/38/57/1087783857.db2.gz PTXWISYZYXNGQC-UHFFFAOYSA-N -1 3 313.357 3.062 20 30 DGEDHM C#Cc1ccc(CNC(=O)c2c(O)cc3ccccc3c2[O-])cc1 ZINC001154030846 1088447854 /nfs/dbraw/zinc/44/78/54/1088447854.db2.gz MCPVHSFNXNIZFP-UHFFFAOYSA-N -1 3 317.344 3.162 20 30 DGEDHM O=C(Cc1cccc([N+](=O)[O-])c1)N([O-])Cc1ccccc1Cl ZINC001161807881 1089414569 /nfs/dbraw/zinc/41/45/69/1089414569.db2.gz QCDAOMNXKHTRTA-UHFFFAOYSA-N -1 3 320.732 3.209 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccc(CCC)cc2)C1 ZINC001161826891 1089426382 /nfs/dbraw/zinc/42/63/82/1089426382.db2.gz OILBCHBHVNAXDR-HNNXBMFYSA-N -1 3 318.417 3.010 20 30 DGEDHM CCCCN([O-])C(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC001161832661 1089433395 /nfs/dbraw/zinc/43/33/95/1089433395.db2.gz QYLVCDOJOZDLLF-UHFFFAOYSA-N -1 3 309.366 3.060 20 30 DGEDHM CC(C)c1ccc(C(=O)NCc2ccc(C#N)c(F)c2)c([O-])c1 ZINC001161843636 1089438556 /nfs/dbraw/zinc/43/85/56/1089438556.db2.gz KLUDJVPQJVRLBB-UHFFFAOYSA-N -1 3 312.344 3.456 20 30 DGEDHM C=Cc1ncc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC001163769870 1090254931 /nfs/dbraw/zinc/25/49/31/1090254931.db2.gz BWSWNMWLIJFGSV-UHFFFAOYSA-N -1 3 324.262 3.266 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(OC)c(OC)c2)ccc1[O-] ZINC000213712259 1090548946 /nfs/dbraw/zinc/54/89/46/1090548946.db2.gz CVUMHLNTXXHEJJ-DAXSKMNVSA-N -1 3 314.337 3.314 20 30 DGEDHM CCCCN([O-])C(=O)CCN(C(=O)OC(C)(C)C)C(C)C ZINC001649061436 1090585262 /nfs/dbraw/zinc/58/52/62/1090585262.db2.gz NONRURNGZAHECZ-UHFFFAOYSA-N -1 3 302.415 3.040 20 30 DGEDHM C=C(Cl)C[C@@H](NCc1ccc(Cl)cc1[O-])C(=O)OCC ZINC001207129064 1091854707 /nfs/dbraw/zinc/85/47/07/1091854707.db2.gz KOHZVTYNAADBGV-GFCCVEGCSA-N -1 3 318.200 3.210 20 30 DGEDHM C[C@@](C#N)(Nc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC001169387922 1092671305 /nfs/dbraw/zinc/67/13/05/1092671305.db2.gz AXNGTMNYLJCPHF-INIZCTEOSA-N -1 3 324.775 3.371 20 30 DGEDHM C[C@@](C#N)(Nc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC001169387922 1092671308 /nfs/dbraw/zinc/67/13/08/1092671308.db2.gz AXNGTMNYLJCPHF-INIZCTEOSA-N -1 3 324.775 3.371 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc2ccccc2s1 ZINC001149805739 1092733682 /nfs/dbraw/zinc/73/36/82/1092733682.db2.gz OPBCJPDYPPPXIO-UHFFFAOYSA-N -1 3 311.366 3.340 20 30 DGEDHM COC(=O)c1ccc(F)c(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001210529193 1093198063 /nfs/dbraw/zinc/19/80/63/1093198063.db2.gz JFSBYWGYCGIJBW-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM N#Cc1cc(Nc2c(N)ccc(Br)c2F)ccc1[O-] ZINC001210534531 1093199341 /nfs/dbraw/zinc/19/93/41/1093199341.db2.gz LYBAJZFRDOQTFF-UHFFFAOYSA-N -1 3 322.137 3.491 20 30 DGEDHM Cc1ccc(C)c([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC001211385547 1093476506 /nfs/dbraw/zinc/47/65/06/1093476506.db2.gz FKSOABOQJRSOLK-GFCCVEGCSA-N -1 3 320.439 3.276 20 30 DGEDHM CN(C)Cc1cccc(Nc2cc(C#N)c(F)cc2[O-])c1F ZINC001216232404 1094153933 /nfs/dbraw/zinc/15/39/33/1094153933.db2.gz ITKZUGANZFOONU-UHFFFAOYSA-N -1 3 303.312 3.347 20 30 DGEDHM C=C(C)Cc1cccc(-c2nnc(N3CC4CC3(C)C4)n2C)c1[O-] ZINC001121438136 1094687413 /nfs/dbraw/zinc/68/74/13/1094687413.db2.gz BYVIKKAZAAZZLD-UHFFFAOYSA-N -1 3 324.428 3.295 20 30 DGEDHM C=C[C@@H]1C[C@]1(Nc1[n-]c(=O)c(Cl)cc1Cl)C(=O)OCC ZINC001170917928 1094924320 /nfs/dbraw/zinc/92/43/20/1094924320.db2.gz UBRGCVPYZQAAMO-FUXBKTLASA-N -1 3 317.172 3.014 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)CCc2cccc(Cl)c2)c1 ZINC001171248146 1095918750 /nfs/dbraw/zinc/91/87/50/1095918750.db2.gz YIDWUFLEBNZURL-UHFFFAOYSA-N -1 3 300.745 3.254 20 30 DGEDHM C=C[C@H](C)O[C@@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223398382 1095958810 /nfs/dbraw/zinc/95/88/10/1095958810.db2.gz BJTKHMJVCRWDDH-RMLUDKJBSA-N -1 3 312.728 3.259 20 30 DGEDHM C=C[C@H](C)O[C@@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223398382 1095958813 /nfs/dbraw/zinc/95/88/13/1095958813.db2.gz BJTKHMJVCRWDDH-RMLUDKJBSA-N -1 3 312.728 3.259 20 30 DGEDHM C#C[C@H](CC)O[C@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223403466 1095960746 /nfs/dbraw/zinc/96/07/46/1095960746.db2.gz MJJUJFOLVFJEKV-PSLIRLAXSA-N -1 3 324.739 3.097 20 30 DGEDHM C#C[C@H](CC)O[C@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223403466 1095960758 /nfs/dbraw/zinc/96/07/58/1095960758.db2.gz MJJUJFOLVFJEKV-PSLIRLAXSA-N -1 3 324.739 3.097 20 30 DGEDHM C=CC(C=C)O[C@@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223403481 1095960781 /nfs/dbraw/zinc/96/07/81/1095960781.db2.gz MXFNKQJLTWLLPQ-OAHLLOKOSA-N -1 3 324.739 3.425 20 30 DGEDHM C=CC(C=C)O[C@@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223403481 1095960789 /nfs/dbraw/zinc/96/07/89/1095960789.db2.gz MXFNKQJLTWLLPQ-OAHLLOKOSA-N -1 3 324.739 3.425 20 30 DGEDHM C=CC[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001148643102 1096409588 /nfs/dbraw/zinc/40/95/88/1096409588.db2.gz KVIPNDDAWXFWKT-LLVKDONJSA-N -1 3 316.788 3.220 20 30 DGEDHM COc1ccc([C@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c(F)c1 ZINC001225468247 1096440227 /nfs/dbraw/zinc/44/02/27/1096440227.db2.gz MJIXCBNQAANFEE-JTQLQIEISA-N -1 3 302.305 3.255 20 30 DGEDHM [O-]/N=C/c1ccnc(OC(c2ccccc2)c2ccccc2)n1 ZINC001226254113 1096647146 /nfs/dbraw/zinc/64/71/46/1096647146.db2.gz RFOBRCUDNLFWGW-DEDYPNTBSA-N -1 3 305.337 3.453 20 30 DGEDHM C#C[C@@H](Oc1nc2cc(C(=O)OC)ccc2[n-]1)c1ccccc1 ZINC001226260622 1096648234 /nfs/dbraw/zinc/64/82/34/1096648234.db2.gz BJVQBEZNNMDFHE-MRXNPFEDSA-N -1 3 306.321 3.103 20 30 DGEDHM N#C[C@@H](Oc1[n-]c(=S)nc2c1CCC2)c1cccc(F)c1 ZINC001226299531 1096656283 /nfs/dbraw/zinc/65/62/83/1096656283.db2.gz CDMBRIMSKRBJFE-CYBMUJFWSA-N -1 3 301.346 3.037 20 30 DGEDHM N#C[C@@H](Oc1[n-]c(=O)nc2ccc(F)cc21)c1ccccc1F ZINC001226407020 1096681871 /nfs/dbraw/zinc/68/18/71/1096681871.db2.gz JLWMXOZSZKSPMG-CQSZACIVSA-N -1 3 313.263 3.257 20 30 DGEDHM Cc1nc(O[C@H](C#C[Si](C)(C)C)c2ccccc2)cc(=O)[n-]1 ZINC001226511027 1096708825 /nfs/dbraw/zinc/70/88/25/1096708825.db2.gz SZXYSFBYRUMDAQ-OAHLLOKOSA-N -1 3 312.445 3.492 20 30 DGEDHM O=c1cc(O[C@@H]2CC(F)(F)C2(F)F)[n-]c(C(F)(F)F)c1 ZINC001227584819 1096956134 /nfs/dbraw/zinc/95/61/34/1096956134.db2.gz VIUKZARRFDQERQ-ZCFIWIBFSA-N -1 3 305.149 3.228 20 30 DGEDHM N#Cc1cccc2c1c(N)nn2-c1ccc(C(F)(F)F)cc1[O-] ZINC001212632128 1097012079 /nfs/dbraw/zinc/01/20/79/1097012079.db2.gz IVKWXJOZAOOXMN-UHFFFAOYSA-N -1 3 318.258 3.204 20 30 DGEDHM C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228007114 1097031868 /nfs/dbraw/zinc/03/18/68/1097031868.db2.gz MYSIZUZZAJGXDX-WMLDXEAASA-N -1 3 323.396 3.263 20 30 DGEDHM C#C[C@@H](CCCC)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228080771 1097047518 /nfs/dbraw/zinc/04/75/18/1097047518.db2.gz YPNDURRXOFBEQT-LBPRGKRZSA-N -1 3 304.342 3.248 20 30 DGEDHM C[C@@H](C#C[Si](C)(C)C)Oc1ncc(Br)cc1[O-] ZINC001228956952 1097226214 /nfs/dbraw/zinc/22/62/14/1097226214.db2.gz SOIUBBQPQCBJJE-VIFPVBQESA-N -1 3 314.255 3.198 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])O1 ZINC001228685073 1097167132 /nfs/dbraw/zinc/16/71/32/1097167132.db2.gz DGQZWPVVJDHTJV-WBMJQRKESA-N -1 3 322.361 3.285 20 30 DGEDHM C=C1O[C@@H](C)C(=O)C1Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228958522 1097226890 /nfs/dbraw/zinc/22/68/90/1097226890.db2.gz MAVKUFDBUSVUGW-JTQLQIEISA-N -1 3 304.342 3.316 20 30 DGEDHM C=C(C)C(=O)OC[C@@H](C)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354357 1097303790 /nfs/dbraw/zinc/30/37/90/1097303790.db2.gz XLPSXQIXUVLUGK-SECBINFHSA-N -1 3 324.427 3.175 20 30 DGEDHM COC(=O)C[C@@H](C)Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932602 1097414375 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N#Cc1cccc(N2CCN(Cc3ccc([S-])cc3)CC2)c1 ZINC001233262624 1098269272 /nfs/dbraw/zinc/26/92/72/1098269272.db2.gz OEOKGUHRJLNJGH-UHFFFAOYSA-N -1 3 309.438 3.169 20 30 DGEDHM CC(=O)c1ccc2c(c1)CN(Cc1ccc(C#N)cc1[O-])CC2 ZINC001233387193 1098311252 /nfs/dbraw/zinc/31/12/52/1098311252.db2.gz ZCEHUAIBCMPXII-UHFFFAOYSA-N -1 3 306.365 3.025 20 30 DGEDHM N#Cc1ccc2c(c1)CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233393632 1098314427 /nfs/dbraw/zinc/31/44/27/1098314427.db2.gz DZOSSPPTDDECPT-UHFFFAOYSA-N -1 3 300.308 3.100 20 30 DGEDHM COc1cc(/C=N/[O-])ccc1OC[C@H](C)OCc1ccccc1 ZINC001233803312 1098434117 /nfs/dbraw/zinc/43/41/17/1098434117.db2.gz NSLBCJBSQQSXRB-YRIIZNAFSA-N -1 3 315.369 3.487 20 30 DGEDHM CCOC(=O)C[C@H](Oc1ccc(C(C)=N[O-])cc1)C(F)(F)F ZINC001234082239 1098491873 /nfs/dbraw/zinc/49/18/73/1098491873.db2.gz RSYBFTNVCFGBDJ-LBPRGKRZSA-N -1 3 319.279 3.148 20 30 DGEDHM COC(=O)[C@@H](Oc1ccc(C(C)=N[O-])cc1)c1ccccc1F ZINC001234083863 1098492089 /nfs/dbraw/zinc/49/20/89/1098492089.db2.gz 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C=C(C)COc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000155983104 197078620 /nfs/dbraw/zinc/07/86/20/197078620.db2.gz UMNDATCVMAKRED-OAHLLOKOSA-N -1 3 306.362 3.221 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(C)c1OC ZINC000347529697 533352924 /nfs/dbraw/zinc/35/29/24/533352924.db2.gz XCBYWSCSUJJHFH-GFCCVEGCSA-N -1 3 316.382 3.267 20 30 DGEDHM COc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)ccc1[O-] ZINC000442656311 533551552 /nfs/dbraw/zinc/55/15/52/533551552.db2.gz WFDYMKUYWSSNRB-CYBMUJFWSA-N -1 3 316.744 3.049 20 30 DGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCCC2(C#N)CCCCC2)n1 ZINC000595525774 400178000 /nfs/dbraw/zinc/17/80/00/400178000.db2.gz HRZDYEJAULZPKX-UHFFFAOYSA-N -1 3 302.422 3.180 20 30 DGEDHM CCOC(=O)c1sc([N-]C(=O)c2occc2C)c(C#N)c1C ZINC000609579111 400178310 /nfs/dbraw/zinc/17/83/10/400178310.db2.gz NJIUPCXHZGVCSJ-UHFFFAOYSA-N -1 3 318.354 3.259 20 30 DGEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)F)c1ccccc1Br ZINC000609590904 400178869 /nfs/dbraw/zinc/17/88/69/400178869.db2.gz HVODUPLUBQJVFT-SECBINFHSA-N -1 3 321.096 3.082 20 30 DGEDHM C=CCCO[C@@H](C)C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000066916131 400129068 /nfs/dbraw/zinc/12/90/68/400129068.db2.gz HATFWOGUUQSUEV-NSHDSACASA-N -1 3 316.361 3.050 20 30 DGEDHM Cc1conc1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000601130020 400243195 /nfs/dbraw/zinc/24/31/95/400243195.db2.gz ZXAUZMMEMSRHSR-SNVBAGLBSA-N -1 3 301.371 3.487 20 30 DGEDHM CC(C)(C)CCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084765 400212925 /nfs/dbraw/zinc/21/29/25/400212925.db2.gz LOWVITQPKORAAY-UHFFFAOYSA-N -1 3 312.410 3.192 20 30 DGEDHM O=C(Cc1cccc(Cl)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000067910499 400216638 /nfs/dbraw/zinc/21/66/38/400216638.db2.gz DMMJYGNMBFPTRY-UHFFFAOYSA-N -1 3 313.748 3.351 20 30 DGEDHM O=C(Cc1cccc(Cl)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000067910499 400216646 /nfs/dbraw/zinc/21/66/46/400216646.db2.gz DMMJYGNMBFPTRY-UHFFFAOYSA-N -1 3 313.748 3.351 20 30 DGEDHM O=C(Cc1cccc(Cl)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000067910499 400216648 /nfs/dbraw/zinc/21/66/48/400216648.db2.gz DMMJYGNMBFPTRY-UHFFFAOYSA-N -1 3 313.748 3.351 20 30 DGEDHM N#CCn1c(C(=O)Nc2cccc([O-])c2F)cc2ccccc21 ZINC000611191144 400357192 /nfs/dbraw/zinc/35/71/92/400357192.db2.gz RDTUGEUTNJEJGS-UHFFFAOYSA-N -1 3 309.300 3.262 20 30 DGEDHM Cc1cccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1[O-] ZINC000590317919 400378026 /nfs/dbraw/zinc/37/80/26/400378026.db2.gz AASRJPRRDHARKF-UHFFFAOYSA-N -1 3 321.258 3.238 20 30 DGEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000602226432 400427051 /nfs/dbraw/zinc/42/70/51/400427051.db2.gz FZEHVKVVPLSSBC-QMMMGPOBSA-N -1 3 301.371 3.293 20 30 DGEDHM CO[C@H](C/N=C/c1cc(Br)ccc1[O-])C(C)C ZINC000075078332 400557624 /nfs/dbraw/zinc/55/76/24/400557624.db2.gz PLVWUIKLTYVRIM-BKNIFWKGSA-N -1 3 300.196 3.245 20 30 DGEDHM Cc1cc(Cl)cc(NC(=O)CC2(C#N)CCOCC2)c1[O-] ZINC000597442303 400631218 /nfs/dbraw/zinc/63/12/18/400631218.db2.gz UTKAUXANOAKAGF-UHFFFAOYSA-N -1 3 308.765 3.003 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc3c2ccn3C)nc(C)n1 ZINC000077940919 400755651 /nfs/dbraw/zinc/75/56/51/400755651.db2.gz QJCCYSIAQATLQA-OAHLLOKOSA-N -1 3 304.353 3.075 20 30 DGEDHM N#CC(=C([O-])c1cccc(Oc2cnccn2)c1)c1ccccn1 ZINC000077865816 400751734 /nfs/dbraw/zinc/75/17/34/400751734.db2.gz WLIRHTRTFFITHZ-OAHLLOKOSA-N -1 3 316.320 3.154 20 30 DGEDHM CCCCOc1ccc(C(=O)N2CCC[C@@H](CC#N)C2)c([O-])c1 ZINC000597905765 400692457 /nfs/dbraw/zinc/69/24/57/400692457.db2.gz RJYRKLRTRUNGAB-AWEZNQCLSA-N -1 3 316.401 3.337 20 30 DGEDHM Cc1nc(C(=O)Nc2ccc([O-])c3ccccc23)ccc1C#N ZINC000603586249 400702919 /nfs/dbraw/zinc/70/29/19/400702919.db2.gz JRFASHDDGBEQBF-UHFFFAOYSA-N -1 3 303.321 3.373 20 30 DGEDHM CCc1cccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1[O-] ZINC000618892982 400711262 /nfs/dbraw/zinc/71/12/62/400711262.db2.gz UKINDJOJEVQHIR-KRWDZBQOSA-N -1 3 306.365 3.244 20 30 DGEDHM N#Cc1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000078546390 400809361 /nfs/dbraw/zinc/80/93/61/400809361.db2.gz DEUQAJMXIIPQKI-UHFFFAOYSA-N -1 3 320.392 3.359 20 30 DGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1C(C)(F)F ZINC000593215761 400792403 /nfs/dbraw/zinc/79/24/03/400792403.db2.gz OZZNRJZAAGBCAC-UHFFFAOYSA-N -1 3 316.373 3.480 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccc(C)cc1 ZINC000179848893 400880907 /nfs/dbraw/zinc/88/09/07/400880907.db2.gz XKAQWAVCZYZNDK-MRXNPFEDSA-N -1 3 316.364 3.374 20 30 DGEDHM O=C(Cc1ccc2c(c1)CCC2)Nc1nnc(-c2ccco2)[n-]1 ZINC000079814684 400898623 /nfs/dbraw/zinc/89/86/23/400898623.db2.gz QLULEACPTAETRN-UHFFFAOYSA-N -1 3 308.341 3.384 20 30 DGEDHM O=C(Cc1ccc2c(c1)CCC2)Nc1nc(-c2ccco2)n[n-]1 ZINC000079814684 400898628 /nfs/dbraw/zinc/89/86/28/400898628.db2.gz QLULEACPTAETRN-UHFFFAOYSA-N -1 3 308.341 3.384 20 30 DGEDHM O=C(Cc1ccc2c(c1)CCC2)Nc1n[n-]c(-c2ccco2)n1 ZINC000079814684 400898630 /nfs/dbraw/zinc/89/86/30/400898630.db2.gz QLULEACPTAETRN-UHFFFAOYSA-N -1 3 308.341 3.384 20 30 DGEDHM CCC(CC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055948119 400904036 /nfs/dbraw/zinc/90/40/36/400904036.db2.gz WOQONNMCHFLBQG-UHFFFAOYSA-N -1 3 320.336 3.044 20 30 DGEDHM CCc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)c([O-])c1 ZINC000619780482 400905913 /nfs/dbraw/zinc/90/59/13/400905913.db2.gz SCWAOCNYIQARSB-UHFFFAOYSA-N -1 3 314.772 3.410 20 30 DGEDHM CCc1nnsc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000061046382 401145056 /nfs/dbraw/zinc/14/50/56/401145056.db2.gz CJBADPXUORKMMQ-UHFFFAOYSA-N -1 3 318.427 3.165 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c(C)s1 ZINC000061110537 401146199 /nfs/dbraw/zinc/14/61/99/401146199.db2.gz GIKWMBUNDLZZIG-CYBMUJFWSA-N -1 3 314.414 3.173 20 30 DGEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000060796408 401135408 /nfs/dbraw/zinc/13/54/08/401135408.db2.gz BJPACADVKXFGEH-JTQLQIEISA-N -1 3 316.744 3.323 20 30 DGEDHM N#CC1(NC(=O)c2cc([O-])c3ccccc3c2)CCSCC1 ZINC000281659641 401154387 /nfs/dbraw/zinc/15/43/87/401154387.db2.gz SIIKNNITFXHMKD-UHFFFAOYSA-N -1 3 312.394 3.065 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(F)c1 ZINC000168595526 228266587 /nfs/dbraw/zinc/26/65/87/228266587.db2.gz NWGIDBTWXZOULH-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM N#CCCSc1ccccc1[N-]S(=O)(=O)CCCCF ZINC000294121280 228844692 /nfs/dbraw/zinc/84/46/92/228844692.db2.gz DSUKJUWUFZEWIN-UHFFFAOYSA-N -1 3 316.423 3.184 20 30 DGEDHM N#CCc1ccc(CSc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000342564200 229114402 /nfs/dbraw/zinc/11/44/02/229114402.db2.gz JQZPCUHCXKDDBT-UHFFFAOYSA-N -1 3 307.382 3.225 20 30 DGEDHM Cc1nc(C)c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000345400635 229152357 /nfs/dbraw/zinc/15/23/57/229152357.db2.gz PZDJGCDYIAEBOH-NSHDSACASA-N -1 3 310.382 3.435 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1cccc(F)c1 ZINC000350918119 229228274 /nfs/dbraw/zinc/22/82/74/229228274.db2.gz LMFLPIUPWJNBCM-OAHLLOKOSA-N -1 3 320.327 3.205 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc3nccc(C)c3c2)nc(C)n1 ZINC000353525534 229279357 /nfs/dbraw/zinc/27/93/57/229279357.db2.gz GUMKGYRVEOSEEX-MRXNPFEDSA-N -1 3 316.364 3.440 20 30 DGEDHM N#CC(=C([O-])c1ccc(Oc2ccccc2)nc1)c1ccncn1 ZINC000354464941 229294895 /nfs/dbraw/zinc/29/48/95/229294895.db2.gz LGHTVMJTNBBMEF-OAHLLOKOSA-N -1 3 316.320 3.154 20 30 DGEDHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355868354 229320934 /nfs/dbraw/zinc/32/09/34/229320934.db2.gz OBTXFYRYLULPCC-UHFFFAOYSA-N -1 3 304.346 3.001 20 30 DGEDHM COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000346787913 264097044 /nfs/dbraw/zinc/09/70/44/264097044.db2.gz WSGUASNNIDBXBY-UHFFFAOYSA-N -1 3 322.324 3.111 20 30 DGEDHM COc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000346787913 264097045 /nfs/dbraw/zinc/09/70/45/264097045.db2.gz WSGUASNNIDBXBY-UHFFFAOYSA-N -1 3 322.324 3.111 20 30 DGEDHM Cc1ocnc1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000108240450 431130298 /nfs/dbraw/zinc/13/02/98/431130298.db2.gz UWYIACDCWITDTN-JTQLQIEISA-N -1 3 301.371 3.487 20 30 DGEDHM Cc1nc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccc1C#N ZINC000186302647 279067514 /nfs/dbraw/zinc/06/75/14/279067514.db2.gz HDEKQUIHVDJYLS-NSHDSACASA-N -1 3 307.353 3.121 20 30 DGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000007403702 431346335 /nfs/dbraw/zinc/34/63/35/431346335.db2.gz KYAIVXXQRLZRKW-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000007403704 431348333 /nfs/dbraw/zinc/34/83/33/431348333.db2.gz WWBNFMCCTBXOHB-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM N#Cc1ccsc1C(=O)[N-]c1nc2c(cc1C#N)CCCC2 ZINC000122021379 431809837 /nfs/dbraw/zinc/80/98/37/431809837.db2.gz GOJWMNPJTDIFBJ-UHFFFAOYSA-N -1 3 308.366 3.018 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(F)cc1 ZINC000041481598 431859982 /nfs/dbraw/zinc/85/99/82/431859982.db2.gz HVJXIXRPGKLHNL-OAHLLOKOSA-N -1 3 320.327 3.205 20 30 DGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(F)cc(F)c1 ZINC000123444017 431865002 /nfs/dbraw/zinc/86/50/02/431865002.db2.gz FPZCRSNRSORMFD-ZDUSSCGKSA-N -1 3 311.291 3.342 20 30 DGEDHM N#CCN(Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000093563089 431915256 /nfs/dbraw/zinc/91/52/56/431915256.db2.gz XTDSOYBRAOLYFC-UHFFFAOYSA-N -1 3 309.207 3.423 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1Cl ZINC000048652623 431929513 /nfs/dbraw/zinc/92/95/13/431929513.db2.gz CXDUKNSHQCYMIU-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM C=C[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000128478974 431994666 /nfs/dbraw/zinc/99/46/66/431994666.db2.gz JMFMHDYVSAGEND-GFCCVEGCSA-N -1 3 308.341 3.363 20 30 DGEDHM C=C[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000128478974 431994668 /nfs/dbraw/zinc/99/46/68/431994668.db2.gz JMFMHDYVSAGEND-GFCCVEGCSA-N -1 3 308.341 3.363 20 30 DGEDHM C=C[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000128478974 431994670 /nfs/dbraw/zinc/99/46/70/431994670.db2.gz JMFMHDYVSAGEND-GFCCVEGCSA-N -1 3 308.341 3.363 20 30 DGEDHM Cc1nnsc1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000191412884 432261714 /nfs/dbraw/zinc/26/17/14/432261714.db2.gz NKBHYSHSWGBHSX-VIFPVBQESA-N -1 3 318.427 3.351 20 30 DGEDHM N#Cc1csc(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000176189983 432499492 /nfs/dbraw/zinc/49/94/92/432499492.db2.gz LYKMZZHSCVTRDP-UHFFFAOYSA-N -1 3 323.171 3.340 20 30 DGEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC#N)c(C)c1 ZINC000193356904 432468198 /nfs/dbraw/zinc/46/81/98/432468198.db2.gz XRTPWMIDFSDIMF-UHFFFAOYSA-N -1 3 314.410 3.479 20 30 DGEDHM N#Cc1cccnc1NCc1ccc([O-])c(Br)c1 ZINC000155604544 432563647 /nfs/dbraw/zinc/56/36/47/432563647.db2.gz BURDCWQLXHSZQU-UHFFFAOYSA-N -1 3 304.147 3.033 20 30 DGEDHM CCSCc1cc(C(=O)[N-]c2ccc(F)cc2C#N)no1 ZINC000186279604 432578500 /nfs/dbraw/zinc/57/85/00/432578500.db2.gz FSPCVRKLCNVDMX-UHFFFAOYSA-N -1 3 305.334 3.191 20 30 DGEDHM C=CC[C@H](C(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000188202170 432711757 /nfs/dbraw/zinc/71/17/57/432711757.db2.gz QPGNVSDHYHFFJQ-AWEZNQCLSA-N -1 3 319.368 3.165 20 30 DGEDHM C=CC[C@H](C(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000188202170 432711762 /nfs/dbraw/zinc/71/17/62/432711762.db2.gz QPGNVSDHYHFFJQ-AWEZNQCLSA-N -1 3 319.368 3.165 20 30 DGEDHM C=CC[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000188202170 432711765 /nfs/dbraw/zinc/71/17/65/432711765.db2.gz QPGNVSDHYHFFJQ-AWEZNQCLSA-N -1 3 319.368 3.165 20 30 DGEDHM CCS[C@H]1CCCC[C@@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000267394235 432833578 /nfs/dbraw/zinc/83/35/78/432833578.db2.gz VVNJXVBZWXHSKJ-SVOPHVHRSA-N -1 3 308.447 3.071 20 30 DGEDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000162916790 432837526 /nfs/dbraw/zinc/83/75/26/432837526.db2.gz NNNOXTDFHDBQOR-NSHDSACASA-N -1 3 312.822 3.069 20 30 DGEDHM C=C(C)[C@@H](Cc1nc(-c2ccc([O-])c(OCC)c2)no1)OCC ZINC000277841181 432877876 /nfs/dbraw/zinc/87/78/76/432877876.db2.gz IRTMEHKTGUNYFC-CQSZACIVSA-N -1 3 318.373 3.365 20 30 DGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000288670699 432894898 /nfs/dbraw/zinc/89/48/98/432894898.db2.gz WBOKWKYGRMEBLK-LLVKDONJSA-N -1 3 321.229 3.210 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000425232432 433127886 /nfs/dbraw/zinc/12/78/86/433127886.db2.gz KFAFPWPKDUPWMR-UHFFFAOYSA-N -1 3 306.316 3.291 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000425232432 433127893 /nfs/dbraw/zinc/12/78/93/433127893.db2.gz KFAFPWPKDUPWMR-UHFFFAOYSA-N -1 3 306.316 3.291 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000425232432 433127897 /nfs/dbraw/zinc/12/78/97/433127897.db2.gz KFAFPWPKDUPWMR-UHFFFAOYSA-N -1 3 306.316 3.291 20 30 DGEDHM CC(=O)NC1CCC(/N=C/c2c([O-])ccc3ccccc32)CC1 ZINC000299679659 433374762 /nfs/dbraw/zinc/37/47/62/433374762.db2.gz VBQHNXMLEWKLFH-UDWIEESQSA-N -1 3 310.397 3.412 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)nc1 ZINC000361974361 433473684 /nfs/dbraw/zinc/47/36/84/433473684.db2.gz PZANSMLYXYVMTF-HNNXBMFYSA-N -1 3 303.321 3.128 20 30 DGEDHM C=CCCCS(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000292812870 433597922 /nfs/dbraw/zinc/59/79/22/433597922.db2.gz AHTGNWZVQZNWAZ-AWEZNQCLSA-N -1 3 322.455 3.118 20 30 DGEDHM CCC(CC)CN(CCC#N)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448914863 433612933 /nfs/dbraw/zinc/61/29/33/433612933.db2.gz VRPWIGFNKPQZFO-UHFFFAOYSA-N -1 3 306.381 3.252 20 30 DGEDHM CC(C)CO[N-]C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283105988 433664854 /nfs/dbraw/zinc/66/48/54/433664854.db2.gz WXVAYUDROVDNAV-UHFFFAOYSA-N -1 3 317.267 3.166 20 30 DGEDHM CCCOc1ccc(/C=N/Cc2ncnn2C(C)(C)C)c([O-])c1 ZINC000283746928 433768590 /nfs/dbraw/zinc/76/85/90/433768590.db2.gz FMIGENZYELPGIM-VCHYOVAHSA-N -1 3 316.405 3.147 20 30 DGEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCCCCC(C)(C)C#N ZINC000436210218 433905916 /nfs/dbraw/zinc/90/59/16/433905916.db2.gz ZEBKOCHNWRYWRJ-UHFFFAOYSA-N -1 3 323.418 3.089 20 30 DGEDHM N#CCN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436551124 434007690 /nfs/dbraw/zinc/00/76/90/434007690.db2.gz LQXKVKIOGXLFDG-UHFFFAOYSA-N -1 3 320.392 3.306 20 30 DGEDHM N#C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1F ZINC000436570481 434017960 /nfs/dbraw/zinc/01/79/60/434017960.db2.gz QUKYEUJVZVLKTB-KRWDZBQOSA-N -1 3 324.355 3.405 20 30 DGEDHM COC[C@@](C)(C#N)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436589910 434027030 /nfs/dbraw/zinc/02/70/30/434027030.db2.gz QQDBGBFFSIDEPO-GOSISDBHSA-N -1 3 318.417 3.297 20 30 DGEDHM C[C@@H]1C[C@@]1(C#N)C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000450419833 434165371 /nfs/dbraw/zinc/16/53/71/434165371.db2.gz PHQYIOAEANQAGR-YJYMSZOUSA-N -1 3 306.365 3.471 20 30 DGEDHM N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436868496 434146538 /nfs/dbraw/zinc/14/65/38/434146538.db2.gz HOSLINMCNMARFJ-OAHLLOKOSA-N -1 3 316.320 3.164 20 30 DGEDHM N#Cc1ccc(NC([O-])=NOC2CCCC2)cc1Br ZINC000287370244 434346084 /nfs/dbraw/zinc/34/60/84/434346084.db2.gz ZABQYSQJOQMKAI-UHFFFAOYSA-N -1 3 324.178 3.316 20 30 DGEDHM N#Cc1ccc(NC(=O)[N-]OC2CCCC2)cc1Br ZINC000287370244 434346096 /nfs/dbraw/zinc/34/60/96/434346096.db2.gz ZABQYSQJOQMKAI-UHFFFAOYSA-N -1 3 324.178 3.316 20 30 DGEDHM Cc1cc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])ccc1C#N ZINC000417572396 434444970 /nfs/dbraw/zinc/44/49/70/434444970.db2.gz YTWGGKZDDIAGGH-KBXCAEBGSA-N -1 3 308.381 3.418 20 30 DGEDHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000417562500 434441755 /nfs/dbraw/zinc/44/17/55/434441755.db2.gz MPFCYBHBVYPOCS-ABAIWWIYSA-N -1 3 300.383 3.171 20 30 DGEDHM C=CCOc1ccc(CN[C@H]2C=C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000417612100 434466456 /nfs/dbraw/zinc/46/64/56/434466456.db2.gz BHSWCEJWUHICRF-OLZOCXBDSA-N -1 3 307.777 3.024 20 30 DGEDHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523568951 434953964 /nfs/dbraw/zinc/95/39/64/434953964.db2.gz JUVVRZVHQBYTCC-KBPBESRZSA-N -1 3 324.421 3.190 20 30 DGEDHM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523568953 434954098 /nfs/dbraw/zinc/95/40/98/434954098.db2.gz JUVVRZVHQBYTCC-UONOGXRCSA-N -1 3 324.421 3.190 20 30 DGEDHM CC1CC(C#N)(C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000532069071 435137641 /nfs/dbraw/zinc/13/76/41/435137641.db2.gz XAUYVMYDSNRZET-UHFFFAOYSA-N -1 3 309.163 3.033 20 30 DGEDHM C=C[C@](C)(CC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431754 435296521 /nfs/dbraw/zinc/29/65/21/435296521.db2.gz CHUPPTUCZLXCTO-LLVKDONJSA-N -1 3 309.719 3.062 20 30 DGEDHM C=CCOc1ccc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])cc1Cl ZINC000650793520 436033049 /nfs/dbraw/zinc/03/30/49/436033049.db2.gz BPYDYQWSKKSEIM-BXUZGUMPSA-N -1 3 309.793 3.342 20 30 DGEDHM Cc1nc(COC(C)(C)C)oc1C([O-])=C(C#N)c1ccccn1 ZINC000651263368 436157772 /nfs/dbraw/zinc/15/77/72/436157772.db2.gz MDANRLVABBZTLJ-GFCCVEGCSA-N -1 3 313.357 3.183 20 30 DGEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)Cc2cccc(F)c2)c1 ZINC000543447233 314135444 /nfs/dbraw/zinc/13/54/44/314135444.db2.gz UFHDUONSRDIUTH-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM N#Cc1ccc(CCC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000557183336 314799458 /nfs/dbraw/zinc/79/94/58/314799458.db2.gz BTFHOAROHYRSPE-UHFFFAOYSA-N -1 3 300.745 3.489 20 30 DGEDHM N#CCCCOc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000092119293 332111225 /nfs/dbraw/zinc/11/12/25/332111225.db2.gz RPKQELOPSKKXAO-UHFFFAOYSA-N -1 3 312.325 3.033 20 30 DGEDHM C=CCC[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC000188588421 333049851 /nfs/dbraw/zinc/04/98/51/333049851.db2.gz MODOZTBJLRITCX-OAHLLOKOSA-N -1 3 306.369 3.395 20 30 DGEDHM C=CCC[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC000188588421 333049853 /nfs/dbraw/zinc/04/98/53/333049853.db2.gz MODOZTBJLRITCX-OAHLLOKOSA-N -1 3 306.369 3.395 20 30 DGEDHM C=CCC[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC000188588421 333049854 /nfs/dbraw/zinc/04/98/54/333049854.db2.gz MODOZTBJLRITCX-OAHLLOKOSA-N -1 3 306.369 3.395 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C(C)C)[nH]n3)nc21 ZINC000345369997 335321048 /nfs/dbraw/zinc/32/10/48/335321048.db2.gz HZODRGOOPGNEGA-NSHDSACASA-N -1 3 307.357 3.208 20 30 DGEDHM Cc1cc(C(=O)Nc2ncccc2OCCCC#N)ccc1[O-] ZINC000354398865 336469407 /nfs/dbraw/zinc/46/94/07/336469407.db2.gz KKCNQGIOCUSCDP-UHFFFAOYSA-N -1 3 311.341 3.031 20 30 DGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(C2CC2)c1 ZINC000543059025 341029679 /nfs/dbraw/zinc/02/96/79/341029679.db2.gz MNQHCUAUYMLGRQ-AWEZNQCLSA-N -1 3 316.364 3.336 20 30 DGEDHM CCC[C@H](C#N)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000547706616 341227849 /nfs/dbraw/zinc/22/78/49/341227849.db2.gz SQMDJFIFUWSVFX-MRXNPFEDSA-N -1 3 322.364 3.045 20 30 DGEDHM N#CC1(C(=O)Nc2cc(Br)ccc2[O-])CCCC1 ZINC000179655920 534545998 /nfs/dbraw/zinc/54/59/98/534545998.db2.gz NBOJNHHBVHFUPN-UHFFFAOYSA-N -1 3 309.163 3.177 20 30 DGEDHM Cc1cccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)c1[O-] ZINC000331229887 534571497 /nfs/dbraw/zinc/57/14/97/534571497.db2.gz GXMDYJSHAWEYIM-NSHDSACASA-N -1 3 316.323 3.032 20 30 DGEDHM N#CC(=C([O-])c1cncnc1-c1ccccc1)c1ccccn1 ZINC000355093430 534741512 /nfs/dbraw/zinc/74/15/12/534741512.db2.gz DXAKUFWEFFIHPA-AWEZNQCLSA-N -1 3 300.321 3.029 20 30 DGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000443090603 534762084 /nfs/dbraw/zinc/76/20/84/534762084.db2.gz GQWUSLWXVDHCDF-UHFFFAOYSA-N -1 3 312.822 3.213 20 30 DGEDHM CC(C)(CCC#N)CNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000360423799 526996853 /nfs/dbraw/zinc/99/68/53/526996853.db2.gz JBPIXZCTUPXSBJ-UHFFFAOYSA-N -1 3 314.307 3.471 20 30 DGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000344957463 527000950 /nfs/dbraw/zinc/00/09/50/527000950.db2.gz ACSCSOVOWYEIQD-UHFFFAOYSA-N -1 3 306.840 3.010 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[O-] ZINC000331238982 527221858 /nfs/dbraw/zinc/22/18/58/527221858.db2.gz OCDXXMVXFBYEKD-CHWSQXEVSA-N -1 3 318.417 3.020 20 30 DGEDHM C=CCn1c(=O)[n-]nc1S[C@H](CCOC)c1ccccc1 ZINC000340546205 527333758 /nfs/dbraw/zinc/33/37/58/527333758.db2.gz MXCLLLOKAWXNMI-CYBMUJFWSA-N -1 3 305.403 3.040 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1coc(-c2ccccc2)n1 ZINC000348113838 527334735 /nfs/dbraw/zinc/33/47/35/527334735.db2.gz GYKLXBWPWGTHJK-UHFFFAOYSA-N -1 3 314.370 3.117 20 30 DGEDHM CC1(C#N)CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000346573531 528834623 /nfs/dbraw/zinc/83/46/23/528834623.db2.gz OQXOPDCKEDJZDO-UHFFFAOYSA-N -1 3 304.365 3.006 20 30 DGEDHM C[C@H]1CC(N=Nc2ccc(Cl)nn2)c2c1c(F)ccc2[O-] ZINC000730541901 574531500 /nfs/dbraw/zinc/53/15/00/574531500.db2.gz UAIJLQUHTGHKKR-ZETCQYMHSA-N -1 3 306.728 3.298 20 30 DGEDHM C#CCOc1ccc(NC(=O)c2c[n-]nc2-c2ccccc2)cc1 ZINC000731052634 574542703 /nfs/dbraw/zinc/54/27/03/574542703.db2.gz CHYDJTVZSZGFMC-UHFFFAOYSA-N -1 3 317.348 3.341 20 30 DGEDHM C#CCOc1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)cc1 ZINC000731012055 574541629 /nfs/dbraw/zinc/54/16/29/574541629.db2.gz CMQBGTWNNFKTJJ-UHFFFAOYSA-N -1 3 321.336 3.242 20 30 DGEDHM C#CCOc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000731012055 574541630 /nfs/dbraw/zinc/54/16/30/574541630.db2.gz CMQBGTWNNFKTJJ-UHFFFAOYSA-N -1 3 321.336 3.242 20 30 DGEDHM Cc1nc(NC(=O)c2cc([O-])cs2)sc1SCC#N ZINC000731871498 574560722 /nfs/dbraw/zinc/56/07/22/574560722.db2.gz GIVOZEVTQFFEHQ-UHFFFAOYSA-N -1 3 311.413 3.087 20 30 DGEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])C(=O)Nc1ccccc1 ZINC000732529423 574575575 /nfs/dbraw/zinc/57/55/75/574575575.db2.gz VYGKBXHLSDGORZ-IPHDDYSGSA-N -1 3 302.761 3.492 20 30 DGEDHM N#CC(=C([O-])C=CC1CCOCC1)c1ccc2ccccc2n1 ZINC000732707604 574579356 /nfs/dbraw/zinc/57/93/56/574579356.db2.gz BBXDCLGGCCOOJE-WHWKNOJMSA-N -1 3 306.365 3.394 20 30 DGEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000733809802 574639026 /nfs/dbraw/zinc/63/90/26/574639026.db2.gz HVIZZZDXLVXCSS-CYBMUJFWSA-N -1 3 316.382 3.065 20 30 DGEDHM CN(C)C(=O)[C@@H]1CCC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000734096657 574650797 /nfs/dbraw/zinc/65/07/97/574650797.db2.gz PDLBPEDDMVTXON-KXYIOILMSA-N -1 3 308.809 3.112 20 30 DGEDHM C=CCCCN(C)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000735412497 574700076 /nfs/dbraw/zinc/70/00/76/574700076.db2.gz DMIUWIUAYOZZAC-UHFFFAOYSA-N -1 3 311.311 3.288 20 30 DGEDHM C=CCCCN(C)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000735412497 574700077 /nfs/dbraw/zinc/70/00/77/574700077.db2.gz DMIUWIUAYOZZAC-UHFFFAOYSA-N -1 3 311.311 3.288 20 30 DGEDHM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1cc(C)c(F)c(C)c1 ZINC000735451278 574703242 /nfs/dbraw/zinc/70/32/42/574703242.db2.gz WSYMGYONHJAFLA-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(C)c(F)c(C)c1 ZINC000735451278 574703243 /nfs/dbraw/zinc/70/32/43/574703243.db2.gz WSYMGYONHJAFLA-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(C)c1C ZINC000735451216 574703258 /nfs/dbraw/zinc/70/32/58/574703258.db2.gz UIYMQSJITWMUNG-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(C)c1C ZINC000735451216 574703259 /nfs/dbraw/zinc/70/32/59/574703259.db2.gz UIYMQSJITWMUNG-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CCN1c2ccc(C)cc2C(=N[N-]c2c(F)cccc2F)C1=O ZINC000735615056 574709600 /nfs/dbraw/zinc/70/96/00/574709600.db2.gz JZKYSXQEWRAXRD-UHFFFAOYSA-N -1 3 315.323 3.456 20 30 DGEDHM C=C(Cl)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000736366937 574745822 /nfs/dbraw/zinc/74/58/22/574745822.db2.gz AQBWVSQMDOYFLL-UHFFFAOYSA-N -1 3 318.764 3.032 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737265073 574835375 /nfs/dbraw/zinc/83/53/75/574835375.db2.gz WYLOTXUVNWZYKY-WTKPLQERSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737265073 574835376 /nfs/dbraw/zinc/83/53/76/574835376.db2.gz WYLOTXUVNWZYKY-WTKPLQERSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737344954 574839385 /nfs/dbraw/zinc/83/93/85/574839385.db2.gz MONVOHGNNQCBAA-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737344954 574839386 /nfs/dbraw/zinc/83/93/86/574839386.db2.gz MONVOHGNNQCBAA-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000737440045 574843889 /nfs/dbraw/zinc/84/38/89/574843889.db2.gz AJYPHRGUVLMLLF-QNWOROFLSA-N -1 3 324.424 3.418 20 30 DGEDHM CN(Cc1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737472652 574847360 /nfs/dbraw/zinc/84/73/60/574847360.db2.gz UTEMXGBTGTUCKK-MRXNPFEDSA-N -1 3 314.772 3.469 20 30 DGEDHM N#Cc1ccc([C@H](N[C@@H]2CCc3ccc(F)cc32)C(=O)[O-])cc1 ZINC000739108811 574892518 /nfs/dbraw/zinc/89/25/18/574892518.db2.gz XEONJYVZWPQVOM-SJORKVTESA-N -1 3 310.328 3.100 20 30 DGEDHM CCOc1ccc(/C=N\C[C@@](C)(O)c2cc(C)oc2C)c([O-])c1 ZINC000741466098 574958653 /nfs/dbraw/zinc/95/86/53/574958653.db2.gz DLNDLGLPBJYTGG-HSNFWNHWSA-N -1 3 317.385 3.327 20 30 DGEDHM COc1ccc(O[C@H](C)C/N=C/c2c([O-])cccc2OC)cc1 ZINC000743044456 575032827 /nfs/dbraw/zinc/03/28/27/575032827.db2.gz JXHQLTLEXKAEJZ-KZKLBEMASA-N -1 3 315.369 3.296 20 30 DGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])C=CC1CC1 ZINC000744032002 575069129 /nfs/dbraw/zinc/06/91/29/575069129.db2.gz GRBJHNPUXAYQTA-UUSYTGMJSA-N -1 3 306.724 3.093 20 30 DGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C)c1 ZINC000744026953 575069202 /nfs/dbraw/zinc/06/92/02/575069202.db2.gz CEYQLFZBDRGCMP-RZXPCSSPSA-N -1 3 314.385 3.335 20 30 DGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1cc(Cl)ccc1Cl ZINC000751895324 575196544 /nfs/dbraw/zinc/19/65/44/575196544.db2.gz KKPMGPZLBBTVLG-UHFFFAOYSA-N -1 3 322.151 3.467 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1c(F)cccc1F ZINC000740763324 575218170 /nfs/dbraw/zinc/21/81/70/575218170.db2.gz GOQRIXXTHNLQGW-TZFWNBKVSA-N -1 3 311.715 3.476 20 30 DGEDHM COc1ccc(C(C)=NNCCCOc2ccccc2)c([O-])c1 ZINC000729150457 575220819 /nfs/dbraw/zinc/22/08/19/575220819.db2.gz VSYHPKBVNLJKBZ-UHFFFAOYSA-N -1 3 314.385 3.184 20 30 DGEDHM CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1ccc([O-])cc1F ZINC000729932087 575267034 /nfs/dbraw/zinc/26/70/34/575267034.db2.gz CCZMMVQHMPMBPP-MEBBXXQBSA-N -1 3 323.437 3.298 20 30 DGEDHM C[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1cccc(-n2cccn2)c1 ZINC000745977507 575425661 /nfs/dbraw/zinc/42/56/61/575425661.db2.gz WXPRSKUNJOBPEM-ZDFPAGSVSA-N -1 3 323.352 3.169 20 30 DGEDHM CSc1ccc(F)cc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000745975829 575425703 /nfs/dbraw/zinc/42/57/03/575425703.db2.gz BQXUFCQLTXSAIZ-QGMBQPNBSA-N -1 3 320.389 3.068 20 30 DGEDHM CCOc1ccc(/C=N\Cc2ncc(C)c(OC)c2C)c([O-])c1 ZINC000747614444 575527411 /nfs/dbraw/zinc/52/74/11/575527411.db2.gz KLJRQCMCAMSMGX-GRSHGNNSSA-N -1 3 314.385 3.430 20 30 DGEDHM COc1cccc([O-])c1C=Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000751290923 575778295 /nfs/dbraw/zinc/77/82/95/575778295.db2.gz KRVWDGAPOOBYEP-UHFFFAOYSA-N -1 3 312.369 3.162 20 30 DGEDHM N#CCCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737687937 575913805 /nfs/dbraw/zinc/91/38/05/575913805.db2.gz XDQLDNRURHHGSN-UHFFFAOYSA-N -1 3 322.397 3.325 20 30 DGEDHM N#CCCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737687937 575913807 /nfs/dbraw/zinc/91/38/07/575913807.db2.gz XDQLDNRURHHGSN-UHFFFAOYSA-N -1 3 322.397 3.325 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2cccn2Cc2ccncc2)n1 ZINC000726318162 576016368 /nfs/dbraw/zinc/01/63/68/576016368.db2.gz DWMXHTUBSHKSFV-AWEZNQCLSA-N -1 3 322.393 3.186 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2cccn2Cc2ccncc2)n1 ZINC000726318164 576016485 /nfs/dbraw/zinc/01/64/85/576016485.db2.gz DWMXHTUBSHKSFV-CQSZACIVSA-N -1 3 322.393 3.186 20 30 DGEDHM COC(=O)Nc1cc(N=Cc2cccc([O-])c2O)ccc1F ZINC000727265454 576115775 /nfs/dbraw/zinc/11/57/75/576115775.db2.gz PWNBUVCZUBQSMW-UHFFFAOYSA-N -1 3 304.277 3.166 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2ccc(S(C)(=O)=O)cc2)ccc1[O-] ZINC000728231146 576170961 /nfs/dbraw/zinc/17/09/61/576170961.db2.gz INXYQEROIQORFK-UITAMQMPSA-N -1 3 316.378 3.000 20 30 DGEDHM Clc1cccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c1Cl ZINC000917555778 620675406 /nfs/dbraw/zinc/67/54/06/620675406.db2.gz XKVWSZQYEAFJIW-UHFFFAOYSA-N -1 3 307.144 3.106 20 30 DGEDHM C=CCOc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000378923749 608869392 /nfs/dbraw/zinc/86/93/92/608869392.db2.gz ZRQSCSYBGWPKGB-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM C=CCOc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000378923749 608869393 /nfs/dbraw/zinc/86/93/93/608869393.db2.gz ZRQSCSYBGWPKGB-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cn2ccccc2n1 ZINC000806555168 617619779 /nfs/dbraw/zinc/61/97/79/617619779.db2.gz NWSDERYHYWRKMY-XQRVVYSFSA-N -1 3 300.264 3.214 20 30 DGEDHM C=C[C@@H](CC)CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000909526498 618809697 /nfs/dbraw/zinc/80/96/97/618809697.db2.gz YLUXEDCTRWZGEO-NSHDSACASA-N -1 3 302.330 3.088 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CC12CCOCC2 ZINC000840708381 618982165 /nfs/dbraw/zinc/98/21/65/618982165.db2.gz FWIXZSRYJCPXSC-WFSQQTBHSA-N -1 3 310.191 3.143 20 30 DGEDHM Cn1nccc1[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])CCO1 ZINC000840710885 619006569 /nfs/dbraw/zinc/00/65/69/619006569.db2.gz VQMGSVXOFADFOB-CSBVUPFYSA-N -1 3 319.792 3.118 20 30 DGEDHM COC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1 ZINC000889638200 619123204 /nfs/dbraw/zinc/12/32/04/619123204.db2.gz VDAVRIIASSNCQT-MRXNPFEDSA-N -1 3 324.371 3.121 20 30 DGEDHM CC(C)(C(=O)[N-]CC(F)(C(F)(F)F)C(F)(F)F)C(F)F ZINC000899096497 619311166 /nfs/dbraw/zinc/31/11/66/619311166.db2.gz BADGSHSXOFJFRP-UHFFFAOYSA-N -1 3 319.167 3.227 20 30 DGEDHM COC(=O)[C@@H]1C[C@@H]2C[C@H](/N=C/c3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC000899231547 619320265 /nfs/dbraw/zinc/32/02/65/619320265.db2.gz RCYHUONHUFQEPO-OVTLRAMMSA-N -1 3 307.777 3.052 20 30 DGEDHM O=C([C@H]1CCc2c[nH]nc2C1)N([O-])Cc1cccc2ccccc21 ZINC000900091671 619404022 /nfs/dbraw/zinc/40/40/22/619404022.db2.gz HIIJVTFNLNOHEN-AWEZNQCLSA-N -1 3 321.380 3.086 20 30 DGEDHM O=C([C@H]1CCCc2n[nH]cc21)N([O-])Cc1cccc2ccccc21 ZINC000900091959 619404304 /nfs/dbraw/zinc/40/43/04/619404304.db2.gz UPIZZEWTTUYPKI-INIZCTEOSA-N -1 3 321.380 3.401 20 30 DGEDHM CC(C)(C)N1CC[C@@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000900091805 619404319 /nfs/dbraw/zinc/40/43/19/619404319.db2.gz ODPQRFMKOQWNCC-QGZVFWFLSA-N -1 3 312.413 3.430 20 30 DGEDHM O=C(c1cscn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096874 619404529 /nfs/dbraw/zinc/40/45/29/619404529.db2.gz SGKODCPZEUWOGH-UHFFFAOYSA-N -1 3 303.170 3.482 20 30 DGEDHM CC(C)(C)C1N=NC(=S)N1N=Cc1cc([O-])cc(Cl)c1 ZINC000901140190 619474183 /nfs/dbraw/zinc/47/41/83/619474183.db2.gz YXDVNSMMHFYVRI-UHFFFAOYSA-N -1 3 310.810 3.106 20 30 DGEDHM CC(C)Oc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000901371525 619490541 /nfs/dbraw/zinc/49/05/41/619490541.db2.gz DBJLTWYEURATPQ-UHFFFAOYSA-N -1 3 304.321 3.040 20 30 DGEDHM COc1cccc([C@@H](C)C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901374950 619491910 /nfs/dbraw/zinc/49/19/10/619491910.db2.gz XTDGVEWRLNYSTJ-GFCCVEGCSA-N -1 3 303.333 3.356 20 30 DGEDHM CCn1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC000901378266 619492235 /nfs/dbraw/zinc/49/22/35/619492235.db2.gz KAFUENWOZXAHGR-UHFFFAOYSA-N -1 3 314.172 3.241 20 30 DGEDHM O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378536 619492273 /nfs/dbraw/zinc/49/22/73/619492273.db2.gz IPYXYHNRYFLOBL-UPJWGTAASA-N -1 3 316.184 3.279 20 30 DGEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccc([O-])c(F)c1 ZINC000789070962 625351649 /nfs/dbraw/zinc/35/16/49/625351649.db2.gz NXEQCKZTOKHZPB-UHFFFAOYSA-N -1 3 311.316 3.209 20 30 DGEDHM COc1cc(/C=C\C(=O)c2cc3n(n2)CCC3)cc(Cl)c1[O-] ZINC000901561184 619516325 /nfs/dbraw/zinc/51/63/25/619516325.db2.gz LOGPCHUZWAPYBV-PLNGDYQASA-N -1 3 318.760 3.093 20 30 DGEDHM C=C(C)COCCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000902410391 619628465 /nfs/dbraw/zinc/62/84/65/619628465.db2.gz PQIQHGPGVBUCMV-UHFFFAOYSA-N -1 3 315.369 3.327 20 30 DGEDHM CCOc1cc(/C=C\C(=O)c2cc(C)nn2C)cc(Cl)c1[O-] ZINC000789157203 625377240 /nfs/dbraw/zinc/37/72/40/625377240.db2.gz XBMBBFBJVVTBMW-WAYWQWQTSA-N -1 3 320.776 3.382 20 30 DGEDHM CC(C)(NCc1ccc(C(=O)[O-])s1)c1cccc(C#N)c1 ZINC000903690555 619798939 /nfs/dbraw/zinc/79/89/39/619798939.db2.gz IZLRACXPZVFVPD-UHFFFAOYSA-N -1 3 300.383 3.343 20 30 DGEDHM Cc1cc(CNCc2c(C)cc(C#N)cc2C)ccc1C(=O)[O-] ZINC000904017014 619856286 /nfs/dbraw/zinc/85/62/86/619856286.db2.gz GCFKDZNUNNPSNV-UHFFFAOYSA-N -1 3 308.381 3.472 20 30 DGEDHM C[C@@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000904179952 619888624 /nfs/dbraw/zinc/88/86/24/619888624.db2.gz FDKJYZHKBJSJTC-CYBMUJFWSA-N -1 3 304.173 3.138 20 30 DGEDHM O=C([C@H]1C[C@@]12CCOC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181831 619888906 /nfs/dbraw/zinc/88/89/06/619888906.db2.gz YQCOJEHHCORSFR-TZMCWYRMSA-N -1 3 316.184 3.138 20 30 DGEDHM CC(C)Oc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)nc1 ZINC000904172943 619891951 /nfs/dbraw/zinc/89/19/51/619891951.db2.gz DSVKLYTVRMGFDF-UHFFFAOYSA-N -1 3 304.321 3.040 20 30 DGEDHM O=C([C@@H]1CCO[C@H]1C1CC1)N([O-])Cc1cccc2ccccc21 ZINC000904172598 619892073 /nfs/dbraw/zinc/89/20/73/619892073.db2.gz GVBVBVUNXPGMKI-MSOLQXFVSA-N -1 3 311.381 3.373 20 30 DGEDHM Cc1nn(C(C)C)c(C)c1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177539 619892886 /nfs/dbraw/zinc/89/28/86/619892886.db2.gz GQIRCPHRWSBLLX-UHFFFAOYSA-N -1 3 319.380 3.180 20 30 DGEDHM N#C[C@@]1(C(=O)N([O-])Cc2ccc(F)cc2)CC2CCC1CC2 ZINC000904178527 619893349 /nfs/dbraw/zinc/89/33/49/619893349.db2.gz MNDJPFOLYBXJOI-AJUCZRQESA-N -1 3 302.349 3.264 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC000904207137 619893579 /nfs/dbraw/zinc/89/35/79/619893579.db2.gz RMZIUVXKGPFODQ-LSDHHAIUSA-N -1 3 305.374 3.089 20 30 DGEDHM CCCCN([O-])C(=O)c1cc(-c2ccccc2)c(C)[nH]c1=O ZINC000904210397 619894074 /nfs/dbraw/zinc/89/40/74/619894074.db2.gz OCGUSQVKFDJDPJ-UHFFFAOYSA-N -1 3 300.358 3.394 20 30 DGEDHM O=C(C[C@H]1CSCCS1)N([O-])Cc1ccccc1Cl ZINC000904189853 619894397 /nfs/dbraw/zinc/89/43/97/619894397.db2.gz BYXNQXZSETZYRD-NSHDSACASA-N -1 3 317.863 3.297 20 30 DGEDHM CC(=O)OCC(C)(C)CC(=O)N([O-])Cc1ccccc1Cl ZINC000904189839 619894544 /nfs/dbraw/zinc/89/45/44/619894544.db2.gz BKUIWWPHXYDCSR-UHFFFAOYSA-N -1 3 313.781 3.037 20 30 DGEDHM Cc1nc(C)c(CC(=O)N([O-])Cc2ccccc2Cl)s1 ZINC000904192169 619895182 /nfs/dbraw/zinc/89/51/82/619895182.db2.gz CJAPQRSAIFFSGR-UHFFFAOYSA-N -1 3 310.806 3.374 20 30 DGEDHM Cn1cc(C(=O)N([O-])Cc2ccccc2Cl)c(C2CCC2)n1 ZINC000904193441 619895605 /nfs/dbraw/zinc/89/56/05/619895605.db2.gz ORYTUJGVSXZSGM-UHFFFAOYSA-N -1 3 319.792 3.373 20 30 DGEDHM O=C([C@H]1CCOC2(CCC2)C1)N([O-])Cc1ccccc1Cl ZINC000904192340 619895637 /nfs/dbraw/zinc/89/56/37/619895637.db2.gz IRVVXLCWIMCHLS-LBPRGKRZSA-N -1 3 309.793 3.407 20 30 DGEDHM CO[C@@H](CC(=O)N([O-])Cc1ccccc1Cl)C(F)(F)F ZINC000904192449 619895663 /nfs/dbraw/zinc/89/56/63/619895663.db2.gz MHLUSUZLEUVOGA-JTQLQIEISA-N -1 3 311.687 3.025 20 30 DGEDHM C[C@@H]1CCCc2ncc(C(=O)N([O-])Cc3ccccc3Cl)n21 ZINC000904193899 619895680 /nfs/dbraw/zinc/89/56/80/619895680.db2.gz YQKLZPXGSJFMCA-LLVKDONJSA-N -1 3 319.792 3.465 20 30 DGEDHM O=C(CCC1CCOCC1)N([O-])CCCCc1ccccc1 ZINC000904197026 619896722 /nfs/dbraw/zinc/89/67/22/619896722.db2.gz OXHXLNNJEOLBDQ-UHFFFAOYSA-N -1 3 305.418 3.434 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1nc(-c2ccco2)no1 ZINC000904205891 619898560 /nfs/dbraw/zinc/89/85/60/619898560.db2.gz WVVVRGMONNVIOP-UHFFFAOYSA-N -1 3 307.350 3.060 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000904205576 619898595 /nfs/dbraw/zinc/89/85/95/619898595.db2.gz NGMKNGKEHMUTSJ-UHFFFAOYSA-N -1 3 317.389 3.467 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000904212701 619901258 /nfs/dbraw/zinc/90/12/58/619901258.db2.gz RTTABUINKZJYFJ-VIFPVBQESA-N -1 3 321.343 3.184 20 30 DGEDHM Cc1ncc(CO)c(/C=N\C[C@@H](c2ccccc2)C(C)C)c1[O-] ZINC000915113156 620568462 /nfs/dbraw/zinc/56/84/62/620568462.db2.gz PIDCQQQDUNHDAX-LELXDKESSA-N -1 3 312.413 3.447 20 30 DGEDHM CC(=NNC(=S)Nc1ccccc1)c1cc(F)ccc1[O-] ZINC000915923498 620607247 /nfs/dbraw/zinc/60/72/47/620607247.db2.gz GFXUQSGVPIGPQK-UHFFFAOYSA-N -1 3 303.362 3.242 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2csc3ccccc23)c1[O-] ZINC000915982419 620611237 /nfs/dbraw/zinc/61/12/37/620611237.db2.gz ZEYWLPSVGFOFKE-QGMBQPNBSA-N -1 3 312.394 3.422 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NCc2cccc(F)c2[O-])o1 ZINC000755673615 620888004 /nfs/dbraw/zinc/88/80/04/620888004.db2.gz QLGZWNYUZGSACX-UHFFFAOYSA-N -1 3 302.309 3.035 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1c2ccc(C)cc2oc1C(C)=O ZINC000856036289 620955853 /nfs/dbraw/zinc/95/58/53/620955853.db2.gz YVPZTRYIWTWPLW-UHFFFAOYSA-N -1 3 301.342 3.110 20 30 DGEDHM C=CCCO[N-]C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000856034337 620955970 /nfs/dbraw/zinc/95/59/70/620955970.db2.gz LFFPBYGDWDAGSK-LBPRGKRZSA-N -1 3 304.173 3.041 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000856033293 620956045 /nfs/dbraw/zinc/95/60/45/620956045.db2.gz BUAIRCXSYCANHH-UHFFFAOYSA-N -1 3 320.389 3.200 20 30 DGEDHM N#CC[C@H](NCc1cccc([O-])c1Br)C(F)(F)F ZINC000922648351 621073297 /nfs/dbraw/zinc/07/32/97/621073297.db2.gz ZKWDMQJWETWWQZ-VIFPVBQESA-N -1 3 323.112 3.089 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000857602998 621101907 /nfs/dbraw/zinc/10/19/07/621101907.db2.gz PWVUNSQGUKXHRU-HNNXBMFYSA-N -1 3 310.344 3.232 20 30 DGEDHM CO[C@@H]1CCC[C@@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000774540349 621199746 /nfs/dbraw/zinc/19/97/46/621199746.db2.gz DRZDTRADUSASRU-MEFSUFTNSA-N -1 3 312.207 3.389 20 30 DGEDHM CC(=O)Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000839387487 621365921 /nfs/dbraw/zinc/36/59/21/621365921.db2.gz RBCSUARIGBSBGG-UHFFFAOYSA-N -1 3 320.732 3.166 20 30 DGEDHM Cc1cc(NN=Cc2ccc([O-])cn2)ccc1Br ZINC000755662314 621584346 /nfs/dbraw/zinc/58/43/46/621584346.db2.gz NWHOHPFWTRNOGV-UHFFFAOYSA-N -1 3 306.163 3.304 20 30 DGEDHM [O-]c1ccc(C=NNc2ccc(Br)cn2)cc1F ZINC000755689003 621585887 /nfs/dbraw/zinc/58/58/87/621585887.db2.gz IKXMTQCULYBTBM-UHFFFAOYSA-N -1 3 310.126 3.135 20 30 DGEDHM [O-]c1cccc(Br)c1C=NOCCC(F)(F)F ZINC000863108938 621639275 /nfs/dbraw/zinc/63/92/75/621639275.db2.gz VWFVJTPTKQIBSL-UHFFFAOYSA-N -1 3 312.085 3.458 20 30 DGEDHM Cn1ncc2c1CCCC2=NNc1nc2ccccc2[n-]c1=S ZINC000863128224 621641264 /nfs/dbraw/zinc/64/12/64/621641264.db2.gz IEOQDSLDWULKPI-UHFFFAOYSA-N -1 3 324.413 3.178 20 30 DGEDHM CC(=NNCC(F)(F)C(F)(F)F)c1ccc([O-])cc1F ZINC000863180053 621645563 /nfs/dbraw/zinc/64/55/63/621645563.db2.gz XOOWZUIZZPXWLP-UHFFFAOYSA-N -1 3 300.202 3.043 20 30 DGEDHM N#Cc1cc([O-])ccc1-c1ccc(N[C@H]2CCCC[C@@H]2O)nc1 ZINC000863722709 621704027 /nfs/dbraw/zinc/70/40/27/621704027.db2.gz JZKBLPULIGTVFM-IRXDYDNUSA-N -1 3 309.369 3.041 20 30 DGEDHM N#Cc1cc([O-])ccc1-c1ccc(NCC2CCOCC2)nc1 ZINC000863723320 621704081 /nfs/dbraw/zinc/70/40/81/621704081.db2.gz WULHYMAYCOVEER-UHFFFAOYSA-N -1 3 309.369 3.164 20 30 DGEDHM C[C@H]1C[C@@H]1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000758371427 621778012 /nfs/dbraw/zinc/77/80/12/621778012.db2.gz KGCJHNMWGZGTNN-CMPLNLGQSA-N -1 3 304.444 3.349 20 30 DGEDHM C[C@@H]1CCC[C@@H]([C@@H](CNCc2nc(C#N)cs2)CC(=O)[O-])C1 ZINC000864532874 621780762 /nfs/dbraw/zinc/78/07/62/621780762.db2.gz JLKJPAQSIWELDE-JHJVBQTASA-N -1 3 321.446 3.022 20 30 DGEDHM C=CCOc1cccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000015662064 621925348 /nfs/dbraw/zinc/92/53/48/621925348.db2.gz JEBNPABDIVGGLD-ATVHPVEESA-N -1 3 305.333 3.062 20 30 DGEDHM CC(C)Oc1ncccc1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866233095 622071578 /nfs/dbraw/zinc/07/15/78/622071578.db2.gz CYCAANPXGZEJPZ-ZDUSSCGKSA-N -1 3 311.385 3.297 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccccc2F)c(OC)cc1[O-] ZINC000122504658 622337152 /nfs/dbraw/zinc/33/71/52/622337152.db2.gz FFDHDNSAQZVDDS-BQYQJAHWSA-N -1 3 302.301 3.445 20 30 DGEDHM COc1cc(C=NNc2ccc(C)cc2)c([N+](=O)[O-])cc1[O-] ZINC000767012977 622368724 /nfs/dbraw/zinc/36/87/24/622368724.db2.gz XOAQKPARAHJXLO-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM COc1cc(C=NNc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000767130175 622377508 /nfs/dbraw/zinc/37/75/08/622377508.db2.gz FTXAOMBOLBBSCV-UHFFFAOYSA-N -1 3 315.329 3.372 20 30 DGEDHM [O-]c1c(F)cc(Cl)cc1C=NNc1cncc(Cl)n1 ZINC000768361637 622452010 /nfs/dbraw/zinc/45/20/10/622452010.db2.gz TTZJKBRCKFUUSP-UHFFFAOYSA-N -1 3 301.108 3.074 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)C[C@H]2CCCc3ccccc32)c1 ZINC000870692699 622497121 /nfs/dbraw/zinc/49/71/21/622497121.db2.gz LDKIYNZSHXILSI-MRXNPFEDSA-N -1 3 306.365 3.478 20 30 DGEDHM CC(=NNCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000769810289 622563864 /nfs/dbraw/zinc/56/38/64/622563864.db2.gz KWZICQXWRXTWAA-UHFFFAOYSA-N -1 3 311.101 3.031 20 30 DGEDHM COc1cc(C=NNCc2ccc(C#N)cc2)cc(Cl)c1[O-] ZINC000769820389 622564721 /nfs/dbraw/zinc/56/47/21/622564721.db2.gz DRUFMSQQLMASST-UHFFFAOYSA-N -1 3 315.760 3.050 20 30 DGEDHM CCCCCCCCC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000775912784 623349507 /nfs/dbraw/zinc/34/95/07/623349507.db2.gz YGASILSXECIMBN-UHFFFAOYSA-N -1 3 306.332 3.190 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc(Cl)n1 ZINC000778602924 623676047 /nfs/dbraw/zinc/67/60/47/623676047.db2.gz CMMMNEVXASNNCP-ZDUSSCGKSA-N -1 3 313.744 3.005 20 30 DGEDHM CC1(C#N)CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000780783032 623981560 /nfs/dbraw/zinc/98/15/60/623981560.db2.gz VXZVHJQIRYGXJV-UHFFFAOYSA-N -1 3 309.207 3.280 20 30 DGEDHM C#CCN(Cc1nnc(-c2ccccc2[O-])o1)C1CCCCC1 ZINC000878000658 624130492 /nfs/dbraw/zinc/13/04/92/624130492.db2.gz DWPVQEGIPOPSRD-UHFFFAOYSA-N -1 3 311.385 3.210 20 30 DGEDHM CCN(Cc1cc(C)cc(Br)c1[O-])C[C@@H](C)C#N ZINC000781902748 624167978 /nfs/dbraw/zinc/16/79/78/624167978.db2.gz UENRKTFNQHWMCT-NSHDSACASA-N -1 3 311.223 3.445 20 30 DGEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@](C)(C#N)C1CCCCC1 ZINC000784349859 624508448 /nfs/dbraw/zinc/50/84/48/624508448.db2.gz XWUFTIZDMXQSEP-INIZCTEOSA-N -1 3 321.371 3.461 20 30 DGEDHM C#CCOc1ccccc1CNCc1c([O-])ccc(Cl)c1F ZINC000790964080 625724797 /nfs/dbraw/zinc/72/47/97/625724797.db2.gz OGFHWLDEJXGLFE-UHFFFAOYSA-N -1 3 319.763 3.487 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(C)c1 ZINC000796791944 626083897 /nfs/dbraw/zinc/08/38/97/626083897.db2.gz DURJAMPSAHMTKF-GFCCVEGCSA-N -1 3 314.366 3.026 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCC1(C)C ZINC000799461148 626302978 /nfs/dbraw/zinc/30/29/78/626302978.db2.gz BSLMLSGJOXIFGR-OAHLLOKOSA-N -1 3 316.401 3.330 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC2CC(c3ccccc3)C2)c1[O-] ZINC000801645953 626412853 /nfs/dbraw/zinc/41/28/53/626412853.db2.gz JIKIRAZNDKMBLH-RGVLZGJSSA-N -1 3 310.397 3.201 20 30 DGEDHM C[C@H](C#N)OCCSc1nnc([N-]c2ccccc2F)s1 ZINC000801653401 626413310 /nfs/dbraw/zinc/41/33/10/626413310.db2.gz FISFHUQMQBFKIV-SECBINFHSA-N -1 3 324.406 3.442 20 30 DGEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000802031505 626429596 /nfs/dbraw/zinc/42/95/96/626429596.db2.gz GKFYCLZLONKDLJ-ZDUSSCGKSA-N -1 3 304.353 3.075 20 30 DGEDHM [O-]c1c(C=NNC(=S)Nc2cccnc2)ccc2ccccc12 ZINC000814720758 627586561 /nfs/dbraw/zinc/58/65/61/627586561.db2.gz QNMQBIGHCMACBD-UHFFFAOYSA-N -1 3 322.393 3.261 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(OC(F)(F)F)cc1 ZINC000814847506 627597836 /nfs/dbraw/zinc/59/78/36/627597836.db2.gz QOMXEAXGKITRRF-UHFFFAOYSA-N -1 3 309.234 3.413 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(F)cc1Br ZINC000815096841 627625706 /nfs/dbraw/zinc/62/57/06/627625706.db2.gz IXSPYFWIRWXGRS-UHFFFAOYSA-N -1 3 322.124 3.416 20 30 DGEDHM N#C[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000928222343 628127152 /nfs/dbraw/zinc/12/71/52/628127152.db2.gz JDKRQYHQXVNQLO-QGZVFWFLSA-N -1 3 320.392 3.359 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC000819734766 628184265 /nfs/dbraw/zinc/18/42/65/628184265.db2.gz SNZYZFWBRFVMSH-UHFFFAOYSA-N -1 3 317.418 3.198 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC000819734766 628184268 /nfs/dbraw/zinc/18/42/68/628184268.db2.gz SNZYZFWBRFVMSH-UHFFFAOYSA-N -1 3 317.418 3.198 20 30 DGEDHM C=CCN(C/C(Cl)=C/Cl)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819739568 628184812 /nfs/dbraw/zinc/18/48/12/628184812.db2.gz AABMRPUJZSBIDF-JYRVWZFOSA-N -1 3 324.215 3.174 20 30 DGEDHM C=CCN(C/C(Cl)=C/Cl)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819739568 628184813 /nfs/dbraw/zinc/18/48/13/628184813.db2.gz AABMRPUJZSBIDF-JYRVWZFOSA-N -1 3 324.215 3.174 20 30 DGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1 ZINC000819773918 628188983 /nfs/dbraw/zinc/18/89/83/628188983.db2.gz XHBOKEAAHXVMRM-ZDUSSCGKSA-N -1 3 320.400 3.136 20 30 DGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccccc1 ZINC000819773918 628188984 /nfs/dbraw/zinc/18/89/84/628188984.db2.gz XHBOKEAAHXVMRM-ZDUSSCGKSA-N -1 3 320.400 3.136 20 30 DGEDHM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820455535 628260901 /nfs/dbraw/zinc/26/09/01/628260901.db2.gz JINGXHZEWMRFRQ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820455535 628260902 /nfs/dbraw/zinc/26/09/02/628260902.db2.gz JINGXHZEWMRFRQ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H]1C(N=Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1c1ccccc1 ZINC000820642693 628281598 /nfs/dbraw/zinc/28/15/98/628281598.db2.gz KYZCULNJZVFTGI-LRDDRELGSA-N -1 3 318.384 3.458 20 30 DGEDHM C[C@@H]1C(N=Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1c1ccccc1 ZINC000820642693 628281603 /nfs/dbraw/zinc/28/16/03/628281603.db2.gz KYZCULNJZVFTGI-LRDDRELGSA-N -1 3 318.384 3.458 20 30 DGEDHM CCCCCCCCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821056685 628333166 /nfs/dbraw/zinc/33/31/66/628333166.db2.gz VZEDUDYGGGOGLM-UHFFFAOYSA-N -1 3 318.425 3.017 20 30 DGEDHM CCCCCCCCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821056685 628333167 /nfs/dbraw/zinc/33/31/67/628333167.db2.gz VZEDUDYGGGOGLM-UHFFFAOYSA-N -1 3 318.425 3.017 20 30 DGEDHM COc1ccc(C#N)cc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000821769042 628396197 /nfs/dbraw/zinc/39/61/97/628396197.db2.gz CIHVDEUFIREVIB-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(C#N)cc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000821769042 628396199 /nfs/dbraw/zinc/39/61/99/628396199.db2.gz CIHVDEUFIREVIB-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000822225181 628430792 /nfs/dbraw/zinc/43/07/92/628430792.db2.gz RILTXASRSGLVEM-XQRVVYSFSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000822225181 628430793 /nfs/dbraw/zinc/43/07/93/628430793.db2.gz RILTXASRSGLVEM-XQRVVYSFSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822224892 628430895 /nfs/dbraw/zinc/43/08/95/628430895.db2.gz DXKKPISYIYPKHK-QPJJXVBHSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822230866 628432305 /nfs/dbraw/zinc/43/23/05/628432305.db2.gz SKDHSOBDOCIFMW-FNORWQNLSA-N -1 3 310.382 3.441 20 30 DGEDHM Fc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822766389 628491832 /nfs/dbraw/zinc/49/18/32/628491832.db2.gz INQYLUYDNJEBDR-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822766389 628491833 /nfs/dbraw/zinc/49/18/33/628491833.db2.gz INQYLUYDNJEBDR-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#C[C@@H](Cc1ccccc1)Sc1cccc(-c2nnn[n-]2)c1 ZINC000822800883 628497256 /nfs/dbraw/zinc/49/72/56/628497256.db2.gz AFBCMFAXYPGPHB-OAHLLOKOSA-N -1 3 307.382 3.094 20 30 DGEDHM N#C[C@@H](Cc1ccccc1)Sc1cccc(-c2nn[n-]n2)c1 ZINC000822800883 628497258 /nfs/dbraw/zinc/49/72/58/628497258.db2.gz AFBCMFAXYPGPHB-OAHLLOKOSA-N -1 3 307.382 3.094 20 30 DGEDHM N#Cc1cc(CSc2ccccc2-c2nnn[n-]2)ccc1F ZINC000822818878 628498881 /nfs/dbraw/zinc/49/88/81/628498881.db2.gz IGSONFNHFULJKE-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cc(CSc2ccccc2-c2nn[n-]n2)ccc1F ZINC000822818878 628498883 /nfs/dbraw/zinc/49/88/83/628498883.db2.gz IGSONFNHFULJKE-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000822921956 628509283 /nfs/dbraw/zinc/50/92/83/628509283.db2.gz BHGUTRUBHYOXHE-BQYQJAHWSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000822921956 628509284 /nfs/dbraw/zinc/50/92/84/628509284.db2.gz BHGUTRUBHYOXHE-BQYQJAHWSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC000822921932 628509624 /nfs/dbraw/zinc/50/96/24/628509624.db2.gz APJGGIGOLXWSFO-ALCCZGGFSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)c(F)c1 ZINC000822924113 628509970 /nfs/dbraw/zinc/50/99/70/628509970.db2.gz XRHSBVQLCGGWIF-DUXPYHPUSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)c(F)c1 ZINC000822924113 628509973 /nfs/dbraw/zinc/50/99/73/628509973.db2.gz XRHSBVQLCGGWIF-DUXPYHPUSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C1C(=Cc2ccccc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503551 628570390 /nfs/dbraw/zinc/57/03/90/628570390.db2.gz GVTFYTGQTDGIQZ-UVTDQMKNSA-N -1 3 302.337 3.079 20 30 DGEDHM O=C1C(=Cc2ccccc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503551 628570393 /nfs/dbraw/zinc/57/03/93/628570393.db2.gz GVTFYTGQTDGIQZ-UVTDQMKNSA-N -1 3 302.337 3.079 20 30 DGEDHM C=CCCC[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823893965 628607966 /nfs/dbraw/zinc/60/79/66/628607966.db2.gz CNFGDRUFMQWDDA-LBPRGKRZSA-N -1 3 314.393 3.041 20 30 DGEDHM C=CCCC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823893965 628607970 /nfs/dbraw/zinc/60/79/70/628607970.db2.gz CNFGDRUFMQWDDA-LBPRGKRZSA-N -1 3 314.393 3.041 20 30 DGEDHM C=CCC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894487 628608007 /nfs/dbraw/zinc/60/80/07/628608007.db2.gz RJAYTSWTRQSGGI-YUQCYMQKSA-N -1 3 324.384 3.168 20 30 DGEDHM C=CCC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894487 628608010 /nfs/dbraw/zinc/60/80/10/628608010.db2.gz RJAYTSWTRQSGGI-YUQCYMQKSA-N -1 3 324.384 3.168 20 30 DGEDHM C=CCCCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823894215 628608094 /nfs/dbraw/zinc/60/80/94/628608094.db2.gz KGBRMAQRJVJLAW-UHFFFAOYSA-N -1 3 319.796 3.229 20 30 DGEDHM C=CCCCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823894215 628608096 /nfs/dbraw/zinc/60/80/96/628608096.db2.gz KGBRMAQRJVJLAW-UHFFFAOYSA-N -1 3 319.796 3.229 20 30 DGEDHM C=CCCC[C@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823894451 628608149 /nfs/dbraw/zinc/60/81/49/628608149.db2.gz QLJINKLPDXWPRY-HHQWOOOKSA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCCC[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823894451 628608150 /nfs/dbraw/zinc/60/81/50/628608150.db2.gz QLJINKLPDXWPRY-HHQWOOOKSA-N -1 3 312.373 3.168 20 30 DGEDHM CC(C)C[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000824204449 628636814 /nfs/dbraw/zinc/63/68/14/628636814.db2.gz RIZOHTUXHDLFBY-GHMZBOCLSA-N -1 3 323.418 3.125 20 30 DGEDHM C[C@H](CCN=Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824401222 628657622 /nfs/dbraw/zinc/65/76/22/628657622.db2.gz OFIURCXGWOMYDQ-CYBMUJFWSA-N -1 3 306.373 3.458 20 30 DGEDHM C[C@H](CCN=Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824401222 628657623 /nfs/dbraw/zinc/65/76/23/628657623.db2.gz OFIURCXGWOMYDQ-CYBMUJFWSA-N -1 3 306.373 3.458 20 30 DGEDHM C[C@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@H](C)C1 ZINC000824900291 628703978 /nfs/dbraw/zinc/70/39/78/628703978.db2.gz UMGJSGYJXCSXNH-IUCAKERBSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@H](C)C1 ZINC000824900291 628703980 /nfs/dbraw/zinc/70/39/80/628703980.db2.gz UMGJSGYJXCSXNH-IUCAKERBSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCCC[C@@H]1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824936980 628708620 /nfs/dbraw/zinc/70/86/20/628708620.db2.gz NVRHNFJRSNLGKD-NXEZZACHSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCCC[C@@H]1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824936980 628708626 /nfs/dbraw/zinc/70/86/26/628708626.db2.gz NVRHNFJRSNLGKD-NXEZZACHSA-N -1 3 319.800 3.139 20 30 DGEDHM CC[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825195716 628736485 /nfs/dbraw/zinc/73/64/85/628736485.db2.gz YGTPLHJRDRHLSG-SECBINFHSA-N -1 3 304.785 3.498 20 30 DGEDHM CC[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825195716 628736486 /nfs/dbraw/zinc/73/64/86/628736486.db2.gz YGTPLHJRDRHLSG-SECBINFHSA-N -1 3 304.785 3.498 20 30 DGEDHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000826051498 628823024 /nfs/dbraw/zinc/82/30/24/628823024.db2.gz CLKIULGSTJVEOC-YVEFUNNKSA-N -1 3 312.344 3.249 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826230107 628833830 /nfs/dbraw/zinc/83/38/30/628833830.db2.gz DTDXCWFMQRBXLN-DHZHZOJOSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826230107 628833833 /nfs/dbraw/zinc/83/38/33/628833833.db2.gz DTDXCWFMQRBXLN-DHZHZOJOSA-N -1 3 322.393 3.485 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826281283 628838012 /nfs/dbraw/zinc/83/80/12/628838012.db2.gz LNRCXZLVMUCZJX-UITAMQMPSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826281283 628838013 /nfs/dbraw/zinc/83/80/13/628838013.db2.gz LNRCXZLVMUCZJX-UITAMQMPSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000826294679 628841015 /nfs/dbraw/zinc/84/10/15/628841015.db2.gz YPZSTCXPRUDHAW-PTNGSMBKSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000826294679 628841018 /nfs/dbraw/zinc/84/10/18/628841018.db2.gz YPZSTCXPRUDHAW-PTNGSMBKSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000826293952 628841032 /nfs/dbraw/zinc/84/10/32/628841032.db2.gz FRPXPKRGMOFOGA-NTUHNPAUSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000826293952 628841035 /nfs/dbraw/zinc/84/10/35/628841035.db2.gz FRPXPKRGMOFOGA-NTUHNPAUSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826297983 628842413 /nfs/dbraw/zinc/84/24/13/628842413.db2.gz YOVUXHLCQRXWQC-YVMONPNESA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826297983 628842416 /nfs/dbraw/zinc/84/24/16/628842416.db2.gz YOVUXHLCQRXWQC-YVMONPNESA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826297212 628842462 /nfs/dbraw/zinc/84/24/62/628842462.db2.gz YXMCYHUMJUMNNL-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826297212 628842465 /nfs/dbraw/zinc/84/24/65/628842465.db2.gz YXMCYHUMJUMNNL-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826306669 628843373 /nfs/dbraw/zinc/84/33/73/628843373.db2.gz HMIUBOOTLNNDFB-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826306669 628843378 /nfs/dbraw/zinc/84/33/78/628843378.db2.gz HMIUBOOTLNNDFB-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM O=C(C=Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400693 628851218 /nfs/dbraw/zinc/85/12/18/628851218.db2.gz FJOUCTJUNZNNKB-QPJJXVBHSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400693 628851220 /nfs/dbraw/zinc/85/12/20/628851220.db2.gz FJOUCTJUNZNNKB-QPJJXVBHSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475837 628853059 /nfs/dbraw/zinc/85/30/59/628853059.db2.gz SKYGUHBVVAFBRO-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475837 628853060 /nfs/dbraw/zinc/85/30/60/628853060.db2.gz SKYGUHBVVAFBRO-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827055154 628917043 /nfs/dbraw/zinc/91/70/43/628917043.db2.gz XBZWFHURHMRHSS-SFHVURJKSA-N -1 3 324.380 3.261 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000828019271 629015120 /nfs/dbraw/zinc/01/51/20/629015120.db2.gz SPSPFUCHOYTPPE-BLLLJJGKSA-N -1 3 322.355 3.376 20 30 DGEDHM CCOCc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830021295 629218151 /nfs/dbraw/zinc/21/81/51/629218151.db2.gz GNMQZBIMTDJJJW-GOSISDBHSA-N -1 3 324.380 3.010 20 30 DGEDHM Cc1cc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000832871662 629524811 /nfs/dbraw/zinc/52/48/11/629524811.db2.gz VGXYQGQNZFRHRN-PXAZEXFGSA-N -1 3 312.344 3.482 20 30 DGEDHM N#Cc1cccc([C@@H](NCc2ccc(Cl)s2)C(=O)[O-])c1 ZINC000833074895 629555529 /nfs/dbraw/zinc/55/55/29/629555529.db2.gz GGZOEBVTVLLCPH-CYBMUJFWSA-N -1 3 306.774 3.189 20 30 DGEDHM C=CCOc1ccc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC000833377560 629594612 /nfs/dbraw/zinc/59/46/12/629594612.db2.gz BQWHLQKOBNXMKE-DGCLKSJQSA-N -1 3 309.793 3.057 20 30 DGEDHM C=CCN(Cc1ccccc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833375601 629594865 /nfs/dbraw/zinc/59/48/65/629594865.db2.gz AXULPQUFGVFTRU-UHFFFAOYSA-N -1 3 311.381 3.338 20 30 DGEDHM C[C@@H](Oc1ccc(CN(C)Cc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833538563 629618181 /nfs/dbraw/zinc/61/81/81/629618181.db2.gz TWLLBLGNSAJSLN-CQSZACIVSA-N -1 3 324.380 3.042 20 30 DGEDHM CC1(C)CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)Cc2ccccc21 ZINC000833560348 629621250 /nfs/dbraw/zinc/62/12/50/629621250.db2.gz QASXNFMYHBDGOP-GOSISDBHSA-N -1 3 320.392 3.477 20 30 DGEDHM CN(CC#Cc1ccccc1Cl)C1CCC(NC(=O)[O-])CC1 ZINC000833869608 629656878 /nfs/dbraw/zinc/65/68/78/629656878.db2.gz DKDPYMVUEWRTSS-UHFFFAOYSA-N -1 3 320.820 3.202 20 30 DGEDHM C=CCO[N-]C(=O)C1(Cc2ccccc2Br)CC1 ZINC000837049318 630206525 /nfs/dbraw/zinc/20/65/25/630206525.db2.gz DMQKAJKMIIPJLA-UHFFFAOYSA-N -1 3 310.191 3.006 20 30 DGEDHM C#CCC1(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)CCCCC1 ZINC000837659073 630293971 /nfs/dbraw/zinc/29/39/71/630293971.db2.gz BJHLCEIKXDTMBI-UHFFFAOYSA-N -1 3 314.385 3.077 20 30 DGEDHM CC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000845851640 631199262 /nfs/dbraw/zinc/19/92/62/631199262.db2.gz YVBLOGMBLIWTSH-OAHLLOKOSA-N -1 3 304.390 3.186 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000846545010 631257787 /nfs/dbraw/zinc/25/77/87/631257787.db2.gz SVIVYPKAPSRRBY-VIFPVBQESA-N -1 3 304.173 3.385 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccccc1OC(F)(F)F ZINC000846551037 631259035 /nfs/dbraw/zinc/25/90/35/631259035.db2.gz QFFHNQFLDDCJKK-JTQLQIEISA-N -1 3 303.280 3.140 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2c2ccccc2Cl)c1[O-] ZINC000849172717 631852800 /nfs/dbraw/zinc/85/28/00/631852800.db2.gz YPMJHQKRNXVPRA-CFWXFNNNSA-N -1 3 316.788 3.216 20 30 DGEDHM N#CC[C@H](CC(=O)[N-]OCc1ccc(F)cc1)c1ccccc1 ZINC000793820692 661059262 /nfs/dbraw/zinc/05/92/62/661059262.db2.gz QDCZDJPXOHYKEJ-MRXNPFEDSA-N -1 3 312.344 3.461 20 30 DGEDHM COc1cccc2c1OC/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794939154 661115030 /nfs/dbraw/zinc/11/50/30/661115030.db2.gz TVSCPOPQCCJZJO-CLFYSBASSA-N -1 3 318.275 3.338 20 30 DGEDHM CN(C)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000255566564 655803296 /nfs/dbraw/zinc/80/32/96/655803296.db2.gz ZFCYYDRHCVDVSA-GYXHFJGISA-N -1 3 313.357 3.022 20 30 DGEDHM N#Cc1ccc([O-])c(NC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000176833515 655851642 /nfs/dbraw/zinc/85/16/42/655851642.db2.gz JTQWNUDFCDQULY-UHFFFAOYSA-N -1 3 321.380 3.112 20 30 DGEDHM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1ccc(Cl)nn1 ZINC000024036959 656055721 /nfs/dbraw/zinc/05/57/21/656055721.db2.gz ZHHZNBZUAIYEGM-UHFFFAOYSA-N -1 3 301.737 3.165 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCCOCc2ccccc2)c1 ZINC000811186085 661231246 /nfs/dbraw/zinc/23/12/46/661231246.db2.gz BQNWHNVABAWJCM-UHFFFAOYSA-N -1 3 311.337 3.028 20 30 DGEDHM C#CC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000844047292 661237681 /nfs/dbraw/zinc/23/76/81/661237681.db2.gz PJUFHXFCWZHVLC-UHFFFAOYSA-N -1 3 319.404 3.468 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)c1c(F)cccc1F ZINC000304268024 657615380 /nfs/dbraw/zinc/61/53/80/657615380.db2.gz GOQRIXXTHNLQGW-RJZHOQSWSA-N -1 3 311.715 3.476 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc3nccnc3c2)ccc1[O-] ZINC000098038600 657756922 /nfs/dbraw/zinc/75/69/22/657756922.db2.gz IACKYNGEGNVMIK-UTCJRWHESA-N -1 3 306.321 3.240 20 30 DGEDHM N#CCCCOc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000262710617 657956407 /nfs/dbraw/zinc/95/64/07/657956407.db2.gz PFHILUYPPQTCKY-UHFFFAOYSA-N -1 3 324.380 3.357 20 30 DGEDHM COc1cc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc(OC)c1 ZINC000008322769 658381319 /nfs/dbraw/zinc/38/13/19/658381319.db2.gz RHKQHPRPUNYDQG-GQCTYLIASA-N -1 3 314.337 3.314 20 30 DGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccco1 ZINC000128660669 658771133 /nfs/dbraw/zinc/77/11/33/658771133.db2.gz HNFKRZDHVUFQEK-AWEZNQCLSA-N -1 3 304.305 3.394 20 30 DGEDHM CCc1ccc([O-])c(C(=O)Nc2ccccc2O[C@H](C)C#N)c1 ZINC000183106284 660102209 /nfs/dbraw/zinc/10/22/09/660102209.db2.gz CWKKWKWOIMKAAA-GFCCVEGCSA-N -1 3 310.353 3.498 20 30 DGEDHM C=CC[C@@H]1CCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000929762350 661335942 /nfs/dbraw/zinc/33/59/42/661335942.db2.gz FKYRNTVQKPSSII-OAHLLOKOSA-N -1 3 324.384 3.340 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H](O)c1ccccc1 ZINC000049214181 661899854 /nfs/dbraw/zinc/89/98/54/661899854.db2.gz VHYCEMPPRJUXIG-GFHWABCWSA-N -1 3 320.186 3.307 20 30 DGEDHM O=C1C[C@H](/N=C/c2cc(Cl)ccc2[O-])CN1c1ccccc1 ZINC000194992466 662176669 /nfs/dbraw/zinc/17/66/69/662176669.db2.gz AGRJQKXKTCRILZ-FVOVHSBVSA-N -1 3 314.772 3.270 20 30 DGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000393801722 685218837 /nfs/dbraw/zinc/21/88/37/685218837.db2.gz RRQSNBAQVTWLPM-MRVPVSSYSA-N -1 3 309.218 3.021 20 30 DGEDHM C#C[C@@H](CCC)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC001583570939 1192150814 /nfs/dbraw/zinc/15/08/14/1192150814.db2.gz ONOVDFVKVGFZKR-NSHDSACASA-N -1 3 315.747 3.359 20 30 DGEDHM C=CCNc1ncc(C(=O)[N-]c2ncccc2SC)s1 ZINC001583586146 1192151858 /nfs/dbraw/zinc/15/18/58/1192151858.db2.gz FLPNFHSJGXEVPW-UHFFFAOYSA-N -1 3 306.416 3.110 20 30 DGEDHM C#C[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)c3ccsc32)CC1 ZINC001588364788 1192445599 /nfs/dbraw/zinc/44/55/99/1192445599.db2.gz JDBOHSGOAAKZND-XYPYZODXSA-N -1 3 324.413 3.080 20 30 DGEDHM C#C[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)c3ccsc32)CC1 ZINC001588364788 1192445603 /nfs/dbraw/zinc/44/56/03/1192445603.db2.gz JDBOHSGOAAKZND-XYPYZODXSA-N -1 3 324.413 3.080 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588402731 1192446626 /nfs/dbraw/zinc/44/66/26/1192446626.db2.gz LKSYMLHRLOGFPP-UHFFFAOYSA-N -1 3 311.389 3.285 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588402731 1192446630 /nfs/dbraw/zinc/44/66/30/1192446630.db2.gz LKSYMLHRLOGFPP-UHFFFAOYSA-N -1 3 311.389 3.285 20 30 DGEDHM C=C1CCC(C(=O)Oc2ccc(-c3nnn[n-]3)cc2CC)CC1 ZINC001588462108 1192447620 /nfs/dbraw/zinc/44/76/20/1192447620.db2.gz FOTBMCKXLWMTRW-UHFFFAOYSA-N -1 3 312.373 3.081 20 30 DGEDHM C=C1CCC(C(=O)Oc2ccc(-c3nn[n-]n3)cc2CC)CC1 ZINC001588462108 1192447621 /nfs/dbraw/zinc/44/76/21/1192447621.db2.gz FOTBMCKXLWMTRW-UHFFFAOYSA-N -1 3 312.373 3.081 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588496132 1192448310 /nfs/dbraw/zinc/44/83/10/1192448310.db2.gz NNYHFJDYKMELFH-ZBEGNZNMSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588496132 1192448312 /nfs/dbraw/zinc/44/83/12/1192448312.db2.gz NNYHFJDYKMELFH-ZBEGNZNMSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CC(C)(C)CCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588488045 1192449130 /nfs/dbraw/zinc/44/91/30/1192449130.db2.gz WSZWPMFNOQEWDA-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CC(C)(C)CCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588488045 1192449132 /nfs/dbraw/zinc/44/91/32/1192449132.db2.gz WSZWPMFNOQEWDA-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CCC(C)(C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588539330 1192450450 /nfs/dbraw/zinc/45/04/50/1192450450.db2.gz HGEWTTGWSVMBQT-LLVKDONJSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCC(C)(C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588539330 1192450452 /nfs/dbraw/zinc/45/04/52/1192450452.db2.gz HGEWTTGWSVMBQT-LLVKDONJSA-N -1 3 300.362 3.073 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001588777199 1192454086 /nfs/dbraw/zinc/45/40/86/1192454086.db2.gz IPWFWZYTNXXIOG-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001588777199 1192454088 /nfs/dbraw/zinc/45/40/88/1192454088.db2.gz IPWFWZYTNXXIOG-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001589984905 1192481642 /nfs/dbraw/zinc/48/16/42/1192481642.db2.gz XLEIUFSFLJYHDW-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001589984905 1192481645 /nfs/dbraw/zinc/48/16/45/1192481645.db2.gz XLEIUFSFLJYHDW-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1cccc(CC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589984208 1192481715 /nfs/dbraw/zinc/48/17/15/1192481715.db2.gz KQZDUYBANLWIIC-GFCCVEGCSA-N -1 3 304.357 3.106 20 30 DGEDHM C[C@@H](Nc1cccc(CC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589984208 1192481717 /nfs/dbraw/zinc/48/17/17/1192481717.db2.gz KQZDUYBANLWIIC-GFCCVEGCSA-N -1 3 304.357 3.106 20 30 DGEDHM CC1(C)CN(c2c(C#N)cccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001590106553 1192489850 /nfs/dbraw/zinc/48/98/50/1192489850.db2.gz TXVGWAJBLLMTLN-UHFFFAOYSA-N -1 3 310.405 3.001 20 30 DGEDHM CC1(C)CN(c2c(C#N)cccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001590106553 1192489853 /nfs/dbraw/zinc/48/98/53/1192489853.db2.gz TXVGWAJBLLMTLN-UHFFFAOYSA-N -1 3 310.405 3.001 20 30 DGEDHM C[C@H]1CCCC[C@H]1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590250561 1192497490 /nfs/dbraw/zinc/49/74/90/1192497490.db2.gz FPSNOECYPJXXMG-STQMWFEESA-N -1 3 310.405 3.367 20 30 DGEDHM C[C@H]1CCCC[C@H]1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590250561 1192497493 /nfs/dbraw/zinc/49/74/93/1192497493.db2.gz FPSNOECYPJXXMG-STQMWFEESA-N -1 3 310.405 3.367 20 30 DGEDHM CCC(CC)CN(CCC#N)Cc1csc(-c2nnn[n-]2)c1 ZINC001590433826 1192508324 /nfs/dbraw/zinc/50/83/24/1192508324.db2.gz NQUYQBHWHSVQTQ-UHFFFAOYSA-N -1 3 318.450 3.080 20 30 DGEDHM CCC(CC)CN(CCC#N)Cc1csc(-c2nn[n-]n2)c1 ZINC001590433826 1192508327 /nfs/dbraw/zinc/50/83/27/1192508327.db2.gz NQUYQBHWHSVQTQ-UHFFFAOYSA-N -1 3 318.450 3.080 20 30 DGEDHM CCCCCCC[C@@H](C)CNc1cc(-c2nnn[n-]2)cnn1 ZINC001590592702 1192528465 /nfs/dbraw/zinc/52/84/65/1192528465.db2.gz FNJJRFXAEIZPID-GFCCVEGCSA-N -1 3 303.414 3.065 20 30 DGEDHM CCCCCCC[C@@H](C)CNc1cc(-c2nn[n-]n2)cnn1 ZINC001590592702 1192528469 /nfs/dbraw/zinc/52/84/69/1192528469.db2.gz FNJJRFXAEIZPID-GFCCVEGCSA-N -1 3 303.414 3.065 20 30 DGEDHM CCCc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001590659660 1192533423 /nfs/dbraw/zinc/53/34/23/1192533423.db2.gz NBFWWLXYJFDYNH-UHFFFAOYSA-N -1 3 304.357 3.434 20 30 DGEDHM CCCc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001590659660 1192533425 /nfs/dbraw/zinc/53/34/25/1192533425.db2.gz NBFWWLXYJFDYNH-UHFFFAOYSA-N -1 3 304.357 3.434 20 30 DGEDHM COc1ccc(-c2ccc(-c3nnn[n-]3)s2)cc1C1(C#N)CC1 ZINC001591555557 1192564919 /nfs/dbraw/zinc/56/49/19/1192564919.db2.gz HLHLGWKMIWNGHI-UHFFFAOYSA-N -1 3 323.381 3.159 20 30 DGEDHM COc1cc(C=CC(=O)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC001591523727 1192564998 /nfs/dbraw/zinc/56/49/98/1192564998.db2.gz ZXVAHYXZLCIHQR-CSKARUKUSA-N -1 3 312.373 3.038 20 30 DGEDHM COc1cc(C=CC(=O)C2CCCCC2)ccc1-c1nn[n-]n1 ZINC001591523727 1192565002 /nfs/dbraw/zinc/56/50/02/1192565002.db2.gz ZXVAHYXZLCIHQR-CSKARUKUSA-N -1 3 312.373 3.038 20 30 DGEDHM CSc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001591714112 1192570468 /nfs/dbraw/zinc/57/04/68/1192570468.db2.gz QDROFMQLMDVMBT-UHFFFAOYSA-N -1 3 322.397 3.072 20 30 DGEDHM CSc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001591714112 1192570469 /nfs/dbraw/zinc/57/04/69/1192570469.db2.gz QDROFMQLMDVMBT-UHFFFAOYSA-N -1 3 322.397 3.072 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CSc1ccc(C#N)cn1 ZINC001591851154 1192574948 /nfs/dbraw/zinc/57/49/48/1192574948.db2.gz OAINCOWOSSEBDZ-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CSc1ccc(C#N)cn1 ZINC001591851154 1192574949 /nfs/dbraw/zinc/57/49/49/1192574949.db2.gz OAINCOWOSSEBDZ-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C#N)cc(C)c1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591906091 1192580272 /nfs/dbraw/zinc/58/02/72/1192580272.db2.gz UQDIIVATZQUZNL-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(C#N)cc(C)c1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591906091 1192580276 /nfs/dbraw/zinc/58/02/76/1192580276.db2.gz UQDIIVATZQUZNL-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(SCc2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001592068247 1192592636 /nfs/dbraw/zinc/59/26/36/1192592636.db2.gz YUFIISIGILSATI-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cc(SCc2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001592068247 1192592640 /nfs/dbraw/zinc/59/26/40/1192592640.db2.gz YUFIISIGILSATI-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NC1CCCC1 ZINC001592620605 1192618479 /nfs/dbraw/zinc/61/84/79/1192618479.db2.gz QYNGSYJNBXWYBY-UHFFFAOYSA-N -1 3 310.283 3.227 20 30 DGEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NC1CCCC1 ZINC001592620605 1192618481 /nfs/dbraw/zinc/61/84/81/1192618481.db2.gz QYNGSYJNBXWYBY-UHFFFAOYSA-N -1 3 310.283 3.227 20 30 DGEDHM N#Cc1c(F)cccc1SCc1ccccc1-c1nnn[n-]1 ZINC001592686826 1192626450 /nfs/dbraw/zinc/62/64/50/1192626450.db2.gz OLGKHQITYJRZMM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1c(F)cccc1SCc1ccccc1-c1nn[n-]n1 ZINC001592686826 1192626452 /nfs/dbraw/zinc/62/64/52/1192626452.db2.gz OLGKHQITYJRZMM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2cccc(C(F)F)c2-c2nnn[n-]2)C1 ZINC001592682384 1192626498 /nfs/dbraw/zinc/62/64/98/1192626498.db2.gz XJTMKLJUKPQAME-UWVGGRQHSA-N -1 3 318.331 3.299 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2cccc(C(F)F)c2-c2nn[n-]n2)C1 ZINC001592682384 1192626500 /nfs/dbraw/zinc/62/65/00/1192626500.db2.gz XJTMKLJUKPQAME-UWVGGRQHSA-N -1 3 318.331 3.299 20 30 DGEDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000313458597 1176274841 /nfs/dbraw/zinc/27/48/41/1176274841.db2.gz DPHKUBIPUQRXTI-UHFFFAOYSA-N -1 3 304.346 3.001 20 30 DGEDHM C=CCn1cc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2n1 ZINC001597381456 1192730930 /nfs/dbraw/zinc/73/09/30/1192730930.db2.gz XMPHCXBKSRUCIG-UHFFFAOYSA-N -1 3 323.352 3.194 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CN[C@@](C)(CC(=O)[O-])c1cccnc1 ZINC001600074822 1192787419 /nfs/dbraw/zinc/78/74/19/1192787419.db2.gz SIDYDDUUHBGWQC-IBGZPJMESA-N -1 3 323.396 3.050 20 30 DGEDHM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C#N ZINC001600147152 1192795326 /nfs/dbraw/zinc/79/53/26/1192795326.db2.gz AOYGQPFXQSXRPQ-QGZVFWFLSA-N -1 3 312.344 3.230 20 30 DGEDHM Cc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1C(=O)[O-] ZINC001600204298 1192806856 /nfs/dbraw/zinc/80/68/56/1192806856.db2.gz FFFNDKHCVJWVJI-UHFFFAOYSA-N -1 3 306.365 3.344 20 30 DGEDHM N#CC[C@@H]1CCCN(C(F)(F)c2cc(Cl)nc(=S)[n-]2)C1 ZINC001165076541 1178051468 /nfs/dbraw/zinc/05/14/68/1178051468.db2.gz HZCGMUMBHNUJPJ-QMMMGPOBSA-N -1 3 318.780 3.094 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC001331148088 1178144863 /nfs/dbraw/zinc/14/48/63/1178144863.db2.gz XLXSQCINQLQJRP-INIZCTEOSA-N -1 3 302.330 3.088 20 30 DGEDHM Cc1sc(C(=O)[O-])cc1CN[C@@H](C)c1cccc(C#N)c1 ZINC001600868620 1192906353 /nfs/dbraw/zinc/90/63/53/1192906353.db2.gz GPUOUDJYLRKZNV-JTQLQIEISA-N -1 3 300.383 3.477 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cnn(C3CCCCC3)c2)nc(C)n1 ZINC001343442987 1179276426 /nfs/dbraw/zinc/27/64/26/1179276426.db2.gz OSSQMGLHFZHIKY-INIZCTEOSA-N -1 3 323.400 3.285 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1ccc(F)cc1 ZINC001343834187 1179335979 /nfs/dbraw/zinc/33/59/79/1179335979.db2.gz ANMUKSCBKMDXCV-QGZVFWFLSA-N -1 3 321.351 3.378 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1ccc(F)cc1 ZINC001343834186 1179336988 /nfs/dbraw/zinc/33/69/88/1179336988.db2.gz ANMUKSCBKMDXCV-KRWDZBQOSA-N -1 3 321.351 3.378 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)cc(C)c1C#N ZINC001346088387 1179650630 /nfs/dbraw/zinc/65/06/30/1179650630.db2.gz WTTFYKVPBGAUMZ-ZDUSSCGKSA-N -1 3 312.760 3.052 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cccc(C(F)F)c1F ZINC001346096785 1179652991 /nfs/dbraw/zinc/65/29/91/1179652991.db2.gz USUIFSLPKAXVGI-NSHDSACASA-N -1 3 307.275 3.470 20 30 DGEDHM C#CCCCCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001602711528 1192994913 /nfs/dbraw/zinc/99/49/13/1192994913.db2.gz WOPSZRQHRRQSDU-UHFFFAOYSA-N -1 3 309.295 3.101 20 30 DGEDHM C#CCCCCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001602711528 1192994916 /nfs/dbraw/zinc/99/49/16/1192994916.db2.gz WOPSZRQHRRQSDU-UHFFFAOYSA-N -1 3 309.295 3.101 20 30 DGEDHM C=C(CC)CSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC001602768076 1192996801 /nfs/dbraw/zinc/99/68/01/1192996801.db2.gz QONUPXZMEYKFLI-UHFFFAOYSA-N -1 3 301.419 3.117 20 30 DGEDHM C=C(CC)CSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC001602768076 1192996805 /nfs/dbraw/zinc/99/68/05/1192996805.db2.gz QONUPXZMEYKFLI-UHFFFAOYSA-N -1 3 301.419 3.117 20 30 DGEDHM C=CCCC[C@@H](C)Nc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001602834262 1192999301 /nfs/dbraw/zinc/99/93/01/1192999301.db2.gz MVUCBIZVUJNIJJ-SECBINFHSA-N -1 3 306.801 3.380 20 30 DGEDHM C=CCCC[C@@H](C)Nc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001602834262 1192999304 /nfs/dbraw/zinc/99/93/04/1192999304.db2.gz MVUCBIZVUJNIJJ-SECBINFHSA-N -1 3 306.801 3.380 20 30 DGEDHM C=CCOC[C@@H](NCc1ccc(Cl)c(C)c1Cl)C(=O)[O-] ZINC001602915367 1193002166 /nfs/dbraw/zinc/00/21/66/1193002166.db2.gz VBYIRDCBAKFTHU-GFCCVEGCSA-N -1 3 318.200 3.047 20 30 DGEDHM N#Cc1ccsc1[N-]C(=O)c1ccc(OCC(F)(F)F)o1 ZINC001350577514 1180089255 /nfs/dbraw/zinc/08/92/55/1180089255.db2.gz MQCLTJIYWLOXRV-UHFFFAOYSA-N -1 3 316.260 3.406 20 30 DGEDHM C=CCCn1cc(C(=O)[N-]c2cc(Cl)ccc2SC)nn1 ZINC001351555722 1180223130 /nfs/dbraw/zinc/22/31/30/1180223130.db2.gz CLQHXTGQHHQPNK-UHFFFAOYSA-N -1 3 322.821 3.482 20 30 DGEDHM CC(C)c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001603397089 1193017301 /nfs/dbraw/zinc/01/73/01/1193017301.db2.gz BLSBPGHBVUAXEN-UHFFFAOYSA-N -1 3 306.373 3.436 20 30 DGEDHM CC(C)c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001603397089 1193017303 /nfs/dbraw/zinc/01/73/03/1193017303.db2.gz BLSBPGHBVUAXEN-UHFFFAOYSA-N -1 3 306.373 3.436 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1ccc(CC(C)C)cc1 ZINC001300219857 1180484193 /nfs/dbraw/zinc/48/41/93/1180484193.db2.gz MQTSAQAXOHCPLS-UHFFFAOYSA-N -1 3 303.402 3.472 20 30 DGEDHM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2cccc(F)n2)nc1 ZINC001357660972 1181416854 /nfs/dbraw/zinc/41/68/54/1181416854.db2.gz CKKMFSWDVDCUAG-LBPRGKRZSA-N -1 3 313.332 3.283 20 30 DGEDHM O=C(C#Cc1cccs1)Nc1ccc(Br)cc1[O-] ZINC001441338147 1182061151 /nfs/dbraw/zinc/06/11/51/1182061151.db2.gz FPEJQXDTISTQPU-UHFFFAOYSA-N -1 3 322.183 3.206 20 30 DGEDHM CSc1ccccc1C(C)=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001605389955 1193147555 /nfs/dbraw/zinc/14/75/55/1193147555.db2.gz YTGNNPPBQWYQQZ-UHFFFAOYSA-N -1 3 324.413 3.425 20 30 DGEDHM CSc1ccccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605389150 1193147931 /nfs/dbraw/zinc/14/79/31/1193147931.db2.gz MMBKYNYBRGAHQO-FLIBITNWSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605389150 1193147936 /nfs/dbraw/zinc/14/79/36/1193147936.db2.gz MMBKYNYBRGAHQO-FLIBITNWSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605389149 1193148000 /nfs/dbraw/zinc/14/80/00/1193148000.db2.gz MMBKYNYBRGAHQO-DHZHZOJOSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605389149 1193148002 /nfs/dbraw/zinc/14/80/02/1193148002.db2.gz MMBKYNYBRGAHQO-DHZHZOJOSA-N -1 3 322.393 3.485 20 30 DGEDHM C#C[C@@H](NC(=O)c1cc(SC)ccc1[O-])c1ccc(F)cc1 ZINC001450083479 1182241381 /nfs/dbraw/zinc/24/13/81/1182241381.db2.gz URVGHNOVWTWTHW-OAHLLOKOSA-N -1 3 315.369 3.358 20 30 DGEDHM Cc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1C#N ZINC001605661771 1193162941 /nfs/dbraw/zinc/16/29/41/1193162941.db2.gz KXNSREHWPGJZJJ-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1C#N ZINC001605661771 1193162942 /nfs/dbraw/zinc/16/29/42/1193162942.db2.gz KXNSREHWPGJZJJ-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM O=C(c1cccc2c1COCC2)N([O-])Cc1ccccc1Cl ZINC001457995489 1182489194 /nfs/dbraw/zinc/48/91/94/1182489194.db2.gz VIAAFZYJKNOJPW-UHFFFAOYSA-N -1 3 317.772 3.444 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001458021580 1182489945 /nfs/dbraw/zinc/48/99/45/1182489945.db2.gz HAQOGKRZQPOOCG-DGCLKSJQSA-N -1 3 317.307 3.187 20 30 DGEDHM N#Cc1cscc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC001458331443 1182515927 /nfs/dbraw/zinc/51/59/27/1182515927.db2.gz AFOTXADMKYNIOE-UHFFFAOYSA-N -1 3 318.408 3.452 20 30 DGEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1N[C@H](C)C#N ZINC001605750684 1193169199 /nfs/dbraw/zinc/16/91/99/1193169199.db2.gz ZWPCQBWQBXUWOD-GFCCVEGCSA-N -1 3 320.356 3.291 20 30 DGEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1N[C@H](C)C#N ZINC001605750684 1193169204 /nfs/dbraw/zinc/16/92/04/1193169204.db2.gz ZWPCQBWQBXUWOD-GFCCVEGCSA-N -1 3 320.356 3.291 20 30 DGEDHM Cc1ccc(C[C@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001605842216 1193179047 /nfs/dbraw/zinc/17/90/47/1193179047.db2.gz RRMDERKCIKSAIE-JTQLQIEISA-N -1 3 324.413 3.151 20 30 DGEDHM Cc1ccc(C[C@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001605842216 1193179052 /nfs/dbraw/zinc/17/90/52/1193179052.db2.gz RRMDERKCIKSAIE-JTQLQIEISA-N -1 3 324.413 3.151 20 30 DGEDHM Cl/C=C/CON=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001606185869 1193192841 /nfs/dbraw/zinc/19/28/41/1193192841.db2.gz YGKRVUHXWVGCDN-TXEVLVLISA-N -1 3 317.780 3.066 20 30 DGEDHM Cl/C=C/CON=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001606185869 1193192843 /nfs/dbraw/zinc/19/28/43/1193192843.db2.gz YGKRVUHXWVGCDN-TXEVLVLISA-N -1 3 317.780 3.066 20 30 DGEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC001464055474 1183066685 /nfs/dbraw/zinc/06/66/85/1183066685.db2.gz CABCRYWOXBXLMU-RYUDHWBXSA-N -1 3 314.476 3.119 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccccc1-c1nnn[n-]1 ZINC001606481992 1193200403 /nfs/dbraw/zinc/20/04/03/1193200403.db2.gz GQQOWKHQHDFKSW-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccccc1-c1nn[n-]n1 ZINC001606481992 1193200405 /nfs/dbraw/zinc/20/04/05/1193200405.db2.gz GQQOWKHQHDFKSW-SOFGYWHQSA-N -1 3 312.279 3.041 20 30 DGEDHM C#CCC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC001464611762 1183103395 /nfs/dbraw/zinc/10/33/95/1183103395.db2.gz VHWPTWLOASJYLM-UHFFFAOYSA-N -1 3 318.225 3.218 20 30 DGEDHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1cncc(F)c1 ZINC001468852509 1183364277 /nfs/dbraw/zinc/36/42/77/1183364277.db2.gz YOIVYGRXJYBXEN-JTQLQIEISA-N -1 3 319.286 3.062 20 30 DGEDHM Cc1ccc(-c2nc(NC(=O)c3c(C)cc(C#N)cc3C)n[n-]2)o1 ZINC001472525737 1183651125 /nfs/dbraw/zinc/65/11/25/1183651125.db2.gz CZVDFOBVMFERIU-UHFFFAOYSA-N -1 3 321.340 3.114 20 30 DGEDHM CCCCN([O-])C(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC001472620688 1183656569 /nfs/dbraw/zinc/65/65/69/1183656569.db2.gz MGUBVPHKTCAUSC-HNNXBMFYSA-N -1 3 310.781 3.241 20 30 DGEDHM Cc1c(Cl)c(C(=O)N([O-])Cc2ccccc2Cl)nn1C ZINC001472620367 1183656760 /nfs/dbraw/zinc/65/67/60/1183656760.db2.gz ZGLMKYVPDYZMQE-UHFFFAOYSA-N -1 3 314.172 3.067 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1CCCCN1Cc1cccnc1 ZINC001472621142 1183657919 /nfs/dbraw/zinc/65/79/19/1183657919.db2.gz IPOYLSBTPHMYBV-QGZVFWFLSA-N -1 3 319.449 3.234 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cnnn1-c1ccccc1Cl ZINC001472621554 1183658035 /nfs/dbraw/zinc/65/80/35/1183658035.db2.gz ZFCPZFOHEKUHJR-UHFFFAOYSA-N -1 3 322.796 3.332 20 30 DGEDHM C[C@]1(C(=O)N([O-])Cc2ccc(F)cc2)CCOc2ccccc21 ZINC001472623077 1183658187 /nfs/dbraw/zinc/65/81/87/1183658187.db2.gz RQGMMAPIPZIFNP-SFHVURJKSA-N -1 3 315.344 3.284 20 30 DGEDHM N#Cc1c2ccccc2[nH]c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001472622363 1183658352 /nfs/dbraw/zinc/65/83/52/1183658352.db2.gz KASARUZHVYSAKF-UHFFFAOYSA-N -1 3 309.300 3.210 20 30 DGEDHM NC(=O)N=Nc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001472622972 1183658563 /nfs/dbraw/zinc/65/85/63/1183658563.db2.gz QHZKNSSIBGDEBJ-UHFFFAOYSA-N -1 3 316.292 3.020 20 30 DGEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(C)(C)C ZINC001475354001 1183998883 /nfs/dbraw/zinc/99/88/83/1183998883.db2.gz XMIAKESMTMIZPN-NSHDSACASA-N -1 3 320.241 3.320 20 30 DGEDHM C=CC(C)(C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001475769486 1184017194 /nfs/dbraw/zinc/01/71/94/1184017194.db2.gz ILRZRGTUJGOWNX-UHFFFAOYSA-N -1 3 308.428 3.053 20 30 DGEDHM N#Cc1csc(CN(CCC(=O)[O-])Cc2ccccc2)c1 ZINC001608222434 1193284298 /nfs/dbraw/zinc/28/42/98/1193284298.db2.gz RERHAZLSJGBXSE-UHFFFAOYSA-N -1 3 300.383 3.097 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccsc1C(=O)[O-] ZINC001608214199 1193283836 /nfs/dbraw/zinc/28/38/36/1193283836.db2.gz GYYDXMYGWSMIMR-OAHLLOKOSA-N -1 3 312.394 3.485 20 30 DGEDHM C[C@H]1CCCCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609165128 1193328195 /nfs/dbraw/zinc/32/81/95/1193328195.db2.gz FDKYYHVGMPUKAV-VIFPVBQESA-N -1 3 319.800 3.283 20 30 DGEDHM C[C@H]1CCCCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609165128 1193328197 /nfs/dbraw/zinc/32/81/97/1193328197.db2.gz FDKYYHVGMPUKAV-VIFPVBQESA-N -1 3 319.800 3.283 20 30 DGEDHM CCCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609208952 1193330972 /nfs/dbraw/zinc/33/09/72/1193330972.db2.gz DDVPPBODLNLMRO-UHFFFAOYSA-N -1 3 315.421 3.347 20 30 DGEDHM CCCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609208952 1193330974 /nfs/dbraw/zinc/33/09/74/1193330974.db2.gz DDVPPBODLNLMRO-UHFFFAOYSA-N -1 3 315.421 3.347 20 30 DGEDHM N#Cc1c(CN2CC[C@@H](c3ccccc3)C2)cccc1C(=O)[O-] ZINC001610623213 1193401329 /nfs/dbraw/zinc/40/13/29/1193401329.db2.gz KQMDRKJMQUGSFK-OAHLLOKOSA-N -1 3 306.365 3.246 20 30 DGEDHM N#CCC1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001611468744 1193434785 /nfs/dbraw/zinc/43/47/85/1193434785.db2.gz UASWXSXCUQVQJS-UHFFFAOYSA-N -1 3 300.383 3.373 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccn(Cc2ccccc2)n1 ZINC001611655390 1193439159 /nfs/dbraw/zinc/43/91/59/1193439159.db2.gz AXWAETLLRRKOOA-UHFFFAOYSA-N -1 3 301.390 3.343 20 30 DGEDHM C=C(CC(C)C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC001521266429 1187010422 /nfs/dbraw/zinc/01/04/22/1187010422.db2.gz NWMASVAJVHSZNS-UHFFFAOYSA-N -1 3 312.207 3.373 20 30 DGEDHM CCOc1cc(C#N)ccc1OC(=O)c1cccc(F)c1[O-] ZINC001521895751 1187056104 /nfs/dbraw/zinc/05/61/04/1187056104.db2.gz KQYQFXXTIBAOOL-UHFFFAOYSA-N -1 3 301.273 3.021 20 30 DGEDHM Cc1c([N-]C(=O)c2ncc(C#N)cc2Cl)noc1C(C)(C)C ZINC001535424809 1187958737 /nfs/dbraw/zinc/95/87/37/1187958737.db2.gz PRAUTZRAWQSZIN-UHFFFAOYSA-N -1 3 318.764 3.453 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 ZINC001540655244 1188252195 /nfs/dbraw/zinc/25/21/95/1188252195.db2.gz FRXSIMFMDGFHCD-AWEZNQCLSA-N -1 3 316.357 3.248 20 30 DGEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC001617234655 1193562521 /nfs/dbraw/zinc/56/25/21/1193562521.db2.gz BXPKBOLPIXBRIU-UHFFFAOYSA-N -1 3 318.336 3.477 20 30 DGEDHM N#Cc1ccc(C(=O)Nc2cc([O-])cc(Br)c2)s1 ZINC001556601203 1189010444 /nfs/dbraw/zinc/01/04/44/1189010444.db2.gz ZWKNVODUKFCGQE-UHFFFAOYSA-N -1 3 323.171 3.340 20 30 DGEDHM CC(=O)c1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1[O-] ZINC001556853397 1189025253 /nfs/dbraw/zinc/02/52/53/1189025253.db2.gz GUYLZBPVCIFRCR-UHFFFAOYSA-N -1 3 320.348 3.137 20 30 DGEDHM C#Cc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001558727870 1189144974 /nfs/dbraw/zinc/14/49/74/1189144974.db2.gz GLQXWMGMJITHGV-UHFFFAOYSA-N -1 3 324.286 3.040 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC001559035518 1189164742 /nfs/dbraw/zinc/16/47/42/1189164742.db2.gz URJOZXPGRKATQI-UHFFFAOYSA-N -1 3 301.390 3.050 20 30 DGEDHM CCCCN([O-])C(=O)c1c(F)cc(Br)cc1F ZINC001559035180 1189164823 /nfs/dbraw/zinc/16/48/23/1189164823.db2.gz GISPEWXVAJNHRQ-UHFFFAOYSA-N -1 3 308.122 3.359 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1COc2ccc(OC)cc2C1 ZINC001559034804 1189164880 /nfs/dbraw/zinc/16/48/80/1189164880.db2.gz PTXYNOWBLOMDQR-AWEZNQCLSA-N -1 3 307.390 3.044 20 30 DGEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccccc1SC)c1ccccc1 ZINC001561689100 1189456141 /nfs/dbraw/zinc/45/61/41/1189456141.db2.gz DFEDUDWRGNEIAS-CQSZACIVSA-N -1 3 317.435 3.061 20 30 DGEDHM CCCCCCCN1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001569483889 1190707022 /nfs/dbraw/zinc/70/70/22/1190707022.db2.gz ZADAQNOYQVYGJM-UHFFFAOYSA-N -1 3 304.434 3.119 20 30 DGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1OC ZINC001570278959 1190835555 /nfs/dbraw/zinc/83/55/55/1190835555.db2.gz GMNXIJBYCKJYSS-HNNXBMFYSA-N -1 3 311.381 3.318 20 30 DGEDHM COc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)c([O-])c1 ZINC001570556085 1190887872 /nfs/dbraw/zinc/88/78/72/1190887872.db2.gz NYVSJYCRQGKAKY-GFCCVEGCSA-N -1 3 310.353 3.106 20 30 DGEDHM N#CC1(CNCc2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC001621102373 1193802145 /nfs/dbraw/zinc/80/21/45/1193802145.db2.gz JPMSJQKCPLSHKA-UHFFFAOYSA-N -1 3 315.200 3.109 20 30 DGEDHM C#C[C@@](C)(CC)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC001624414732 1193996017 /nfs/dbraw/zinc/99/60/17/1193996017.db2.gz HCALDTXLSZODEK-AWEZNQCLSA-N -1 3 315.747 3.359 20 30 DGEDHM N#Cc1csc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)c1 ZINC001624631130 1194007109 /nfs/dbraw/zinc/00/71/09/1194007109.db2.gz TUSAJQZNIKQHNN-UHFFFAOYSA-N -1 3 300.236 3.428 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC001629707046 1194248424 /nfs/dbraw/zinc/24/84/24/1194248424.db2.gz XSHVWSODGNWNGR-LLVKDONJSA-N -1 3 312.394 3.477 20 30 DGEDHM Cc1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1C#N ZINC001634162239 1194478280 /nfs/dbraw/zinc/47/82/80/1194478280.db2.gz KNSYWGALHUZUDE-UHFFFAOYSA-N -1 3 300.745 3.156 20 30 DGEDHM CN(CC(=O)N([O-])Cc1ccccc1Cl)Cc1ccccc1 ZINC001639054649 1194749031 /nfs/dbraw/zinc/74/90/31/1194749031.db2.gz VCUAJMOOZDAVIV-UHFFFAOYSA-N -1 3 318.804 3.190 20 30 DGEDHM CCc1ccc(C(=O)NC(C)(C)c2cccc(C#N)c2)c([O-])c1 ZINC001641319645 1194848999 /nfs/dbraw/zinc/84/89/99/1194848999.db2.gz QYXCEADJAQZXHI-UHFFFAOYSA-N -1 3 308.381 3.491 20 30 DGEDHM O=C(c1ccc2cccnn21)N([O-])Cc1ccccc1Cl ZINC001641862148 1194876196 /nfs/dbraw/zinc/87/61/96/1194876196.db2.gz VEQXWMXJTZJXQC-UHFFFAOYSA-N -1 3 301.733 3.019 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001641871552 1194876385 /nfs/dbraw/zinc/87/63/85/1194876385.db2.gz WUZMCISLAVTORD-CHWSQXEVSA-N -1 3 314.426 3.088 20 30 DGEDHM C=CCCCN1c2ccccc2C[C@H]1C[N-]C(=O)C(F)(F)F ZINC001643497712 1195030208 /nfs/dbraw/zinc/03/02/08/1195030208.db2.gz YZHVVAHPVDFCEK-ZDUSSCGKSA-N -1 3 312.335 3.062 20 30 DGEDHM C=CCCC1(CNC(=O)c2cc(F)cc3n[n-]nc32)CCCC1 ZINC001645356918 1195178582 /nfs/dbraw/zinc/17/85/82/1195178582.db2.gz SXCCSDWPLIWYGU-UHFFFAOYSA-N -1 3 316.380 3.353 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001647928954 1195266132 /nfs/dbraw/zinc/26/61/32/1195266132.db2.gz IMYIVSYOQZYOJG-UHFFFAOYSA-N -1 3 323.190 3.097 20 30 DGEDHM CC(C)(C#N)CCCCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001648218440 1195284807 /nfs/dbraw/zinc/28/48/07/1195284807.db2.gz UVMNYAIVFMFHHE-UHFFFAOYSA-N -1 3 300.406 3.095 20 30 DGEDHM C[S@](=O)c1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001654813820 1195843276 /nfs/dbraw/zinc/84/32/76/1195843276.db2.gz CXHZNKDKYSEEEH-NRFANRHFSA-N -1 3 323.801 3.109 20 30 DGEDHM COc1ccc(C(=O)N([O-])Cc2ccccc2Cl)c(OC)c1 ZINC001654812123 1195843340 /nfs/dbraw/zinc/84/33/40/1195843340.db2.gz XUEUQLOCXFZDLB-UHFFFAOYSA-N -1 3 321.760 3.389 20 30 DGEDHM Cc1nocc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001654803556 1195843613 /nfs/dbraw/zinc/84/36/13/1195843613.db2.gz LVJVTWDIKDVPLQ-UHFFFAOYSA-N -1 3 301.129 3.321 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC001654819867 1195844341 /nfs/dbraw/zinc/84/43/41/1195844341.db2.gz UPKMMFQSHYAWOQ-OAHLLOKOSA-N -1 3 304.434 3.231 20 30 DGEDHM COc1cccnc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001654825696 1195845665 /nfs/dbraw/zinc/84/56/65/1195845665.db2.gz CMXDICKGVLBXCR-UHFFFAOYSA-N -1 3 308.337 3.275 20 30 DGEDHM N#Cc1nc(NCCc2c(F)cc([O-])cc2F)sc1Cl ZINC001655887580 1195974071 /nfs/dbraw/zinc/97/40/71/1195974071.db2.gz PPJZELVBSDFLGS-UHFFFAOYSA-N -1 3 315.732 3.307 20 30 DGEDHM C=CC(C)(C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001666633381 1197275529 /nfs/dbraw/zinc/27/55/29/1197275529.db2.gz SPKLIISYXXVNQA-UHFFFAOYSA-N -1 3 311.300 3.087 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC001667291514 1197335295 /nfs/dbraw/zinc/33/52/95/1197335295.db2.gz XSFMGOBSYIUNNE-NSHDSACASA-N -1 3 303.387 3.362 20 30 DGEDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC000090537867 1198199609 /nfs/dbraw/zinc/19/96/09/1198199609.db2.gz WXEHIYISMJNQDQ-UHFFFAOYSA-N -1 3 306.774 3.321 20 30 DGEDHM C#CCOc1ccccc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001602704721 971336568 /nfs/dbraw/zinc/33/65/68/971336568.db2.gz PPTPICATNHSYMK-ROUUACIJSA-N -1 3 321.376 3.101 20 30 DGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC1(C(=O)[O-])CCC1 ZINC001574474586 961641196 /nfs/dbraw/zinc/64/11/96/961641196.db2.gz PUJWIHFRQSJTDH-IAGOWNOFSA-N -1 3 312.413 3.403 20 30 DGEDHM CCOc1ncccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001639054401 1194748300 /nfs/dbraw/zinc/74/83/00/1194748300.db2.gz KURZUTJPEIFETK-UHFFFAOYSA-N -1 3 306.749 3.165 20 30 DGEDHM CCOc1cc(/C=C\C(=O)c2cnn(C)c2C)cc(Cl)c1[O-] ZINC000588397284 1082130692 /nfs/dbraw/zinc/13/06/92/1082130692.db2.gz MOOQQYMASNBGMC-WAYWQWQTSA-N -1 3 320.776 3.382 20 30 DGEDHM COc1cc(C#N)cc(-c2ccc([O-])cc2F)c1OC(C)=O ZINC001206057868 1082513460 /nfs/dbraw/zinc/51/34/60/1082513460.db2.gz RXEKDMCDRXWFRE-UHFFFAOYSA-N -1 3 301.273 3.004 20 30 DGEDHM COC(=O)c1sc(Nc2c([O-])cccc2F)c(C#N)c1C ZINC001249989477 1083367174 /nfs/dbraw/zinc/36/71/74/1083367174.db2.gz 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Cc1cn(C)nc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649026077 1088429512 /nfs/dbraw/zinc/42/95/12/1088429512.db2.gz NKARDZUHSRFPMD-UHFFFAOYSA-N -1 3 314.172 3.067 20 30 DGEDHM CO[C@H]1CCC[C@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001161819418 1089421539 /nfs/dbraw/zinc/42/15/39/1089421539.db2.gz SOBBKZZLTHCZMN-IRXDYDNUSA-N -1 3 305.418 3.432 20 30 DGEDHM CCCCCCN([O-])C(=O)CCCNC(=O)c1ccsc1 ZINC001161820015 1089422314 /nfs/dbraw/zinc/42/23/14/1089422314.db2.gz ZALBDNDUNCDRDL-UHFFFAOYSA-N -1 3 312.435 3.056 20 30 DGEDHM N#Cc1cc(F)c(C(=O)N([O-])Cc2ccc(F)cc2)c(F)c1 ZINC001161842931 1089435605 /nfs/dbraw/zinc/43/56/05/1089435605.db2.gz UQMOODRAGAZVIG-UHFFFAOYSA-N -1 3 306.243 3.007 20 30 DGEDHM Cc1cc([O-])c(CN(CCC#N)CCC#N)cc1Br ZINC001237682339 1090317147 /nfs/dbraw/zinc/31/71/47/1090317147.db2.gz RBASZJUELQPHJI-UHFFFAOYSA-N -1 3 322.206 3.092 20 30 DGEDHM CCCCN([O-])C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC001649060773 1090584203 /nfs/dbraw/zinc/58/42/03/1090584203.db2.gz BJWWLDQXRGMMHH-UHFFFAOYSA-N -1 3 317.364 3.132 20 30 DGEDHM N#Cc1cnc(Nc2cccc([O-])c2F)c(Br)c1 ZINC001212546084 1091145211 /nfs/dbraw/zinc/14/52/11/1091145211.db2.gz BTKZBRORQFLFAO-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM [O-]N=Cc1ccccc1-c1ccc(CN2CCOCC2)c(F)c1 ZINC001206477759 1091644295 /nfs/dbraw/zinc/64/42/95/1091644295.db2.gz ZERDSRZTNPCEMH-UHFFFAOYSA-N -1 3 314.360 3.133 20 30 DGEDHM C=CCNc1ncc(C(=O)Nc2c([O-])cccc2Cl)s1 ZINC001298550582 1092071743 /nfs/dbraw/zinc/07/17/43/1092071743.db2.gz LYHVZPVLQUDXKL-UHFFFAOYSA-N -1 3 309.778 3.352 20 30 DGEDHM CCc1ccc([C@@H](C#N)NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001141620261 1092295535 /nfs/dbraw/zinc/29/55/35/1092295535.db2.gz IDECQKDSYBMIMS-MRXNPFEDSA-N -1 3 312.344 3.017 20 30 DGEDHM C=CCn1cnc2c1ncnc2Nc1cccc(Cl)c1[O-] ZINC001210218857 1093083461 /nfs/dbraw/zinc/08/34/61/1093083461.db2.gz MUFKGQSYSFHFPO-UHFFFAOYSA-N -1 3 301.737 3.115 20 30 DGEDHM COC(=O)c1cccc(Cl)c1Nc1ccc([O-])c(C#N)c1 ZINC001210532828 1093199261 /nfs/dbraw/zinc/19/92/61/1093199261.db2.gz NYPRWNMEKOEVQN-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM CCOC(=O)c1ccc(-c2nc(-c3ccc(C#N)c(C)c3)no2)[n-]1 ZINC001213977283 1093690610 /nfs/dbraw/zinc/69/06/10/1093690610.db2.gz VDRGWMCSEXWRQX-UHFFFAOYSA-N -1 3 322.324 3.089 20 30 DGEDHM N#Cc1ccc([O-])c(Nc2c(F)cc(C3OCCO3)cc2F)c1 ZINC001215437765 1093983201 /nfs/dbraw/zinc/98/32/01/1093983201.db2.gz HDQPJYZCJLPRHU-UHFFFAOYSA-N -1 3 318.279 3.331 20 30 DGEDHM N#Cc1cnn(-c2ccccc2)c1Nc1cc(F)c([O-])cc1F ZINC001215571122 1094003832 /nfs/dbraw/zinc/00/38/32/1094003832.db2.gz ZPICBKWMLGFMFO-UHFFFAOYSA-N -1 3 312.279 3.471 20 30 DGEDHM N#Cc1nc(Cl)c([N-]c2cc(C3CC3)cnc2F)nc1C#N ZINC001215956091 1094094618 /nfs/dbraw/zinc/09/46/18/1094094618.db2.gz OHSHKFQKPWMFAN-UHFFFAOYSA-N -1 3 314.711 3.028 20 30 DGEDHM C=C[C@H]1C[C@]1(Nc1[n-]c(=O)c(Cl)cc1Cl)C(=O)OCC ZINC001170917933 1094924692 /nfs/dbraw/zinc/92/46/92/1094924692.db2.gz UBRGCVPYZQAAMO-WPPNPWJKSA-N -1 3 317.172 3.014 20 30 DGEDHM N#CC(=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(F)n1 ZINC001122715124 1095043537 /nfs/dbraw/zinc/04/35/37/1095043537.db2.gz XOEFKSAJCPZMOG-LLVKDONJSA-N -1 3 319.679 3.272 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(Br)oc1C ZINC001123234629 1095196663 /nfs/dbraw/zinc/19/66/63/1095196663.db2.gz YUKDIBPWDMKNFE-SNVBAGLBSA-N -1 3 322.162 3.057 20 30 DGEDHM CCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC001115817695 1095400917 /nfs/dbraw/zinc/40/09/17/1095400917.db2.gz CLEVVIHHRMFUID-HNNXBMFYSA-N -1 3 314.410 3.267 20 30 DGEDHM N#Cc1c[nH]c2cc(C(=O)N3CCCc4cccc([O-])c43)ccc12 ZINC001137950286 1095798798 /nfs/dbraw/zinc/79/87/98/1095798798.db2.gz IOBSDTXFGHZBND-UHFFFAOYSA-N -1 3 317.348 3.338 20 30 DGEDHM O=C(C#Cc1cccs1)Nc1cc(Br)ccc1[O-] ZINC001138016094 1095837191 /nfs/dbraw/zinc/83/71/91/1095837191.db2.gz FKCREXJNVWPDLG-UHFFFAOYSA-N -1 3 322.183 3.206 20 30 DGEDHM CC(=O)c1cc(C(=O)Nc2ccc([C@@H](C)C#N)cc2)ccc1[O-] ZINC001148662578 1096424683 /nfs/dbraw/zinc/42/46/83/1096424683.db2.gz PRYJCAZJBNGEEG-NSHDSACASA-N -1 3 308.337 3.474 20 30 DGEDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226109139 1096614835 /nfs/dbraw/zinc/61/48/35/1096614835.db2.gz CNDITTLOQRISGV-AIXRNUFVSA-N -1 3 320.389 3.129 20 30 DGEDHM Cc1ccc(N2CCC[C@@H](Oc3cccc(/C=N/[O-])c3)C2)nc1 ZINC001226117144 1096616716 /nfs/dbraw/zinc/61/67/16/1096616716.db2.gz YONMZXYDCNMTMW-XNHPLOEXSA-N -1 3 311.385 3.246 20 30 DGEDHM C=CCc1c([O-])ccc(C(C)=O)c1OC1CCN(CC)CC1 ZINC001227121039 1096873135 /nfs/dbraw/zinc/87/31/35/1096873135.db2.gz YYUZILODUYZKRT-UHFFFAOYSA-N -1 3 303.402 3.186 20 30 DGEDHM C=C[C@@H](CC)Oc1cccc([O-])c1I ZINC001227379438 1096922967 /nfs/dbraw/zinc/92/29/67/1096922967.db2.gz GZYWQNZSLIWSIB-QMMMGPOBSA-N -1 3 304.127 3.340 20 30 DGEDHM C#C[C@@H](Oc1c([O-])cc(Br)cc1F)c1ccncc1 ZINC001227591359 1096956388 /nfs/dbraw/zinc/95/63/88/1096956388.db2.gz TXBHRESWZFLGIR-CYBMUJFWSA-N -1 3 322.133 3.442 20 30 DGEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nc(C(=O)OC)ccc1[O-] ZINC001227827356 1096996490 /nfs/dbraw/zinc/99/64/90/1096996490.db2.gz ZYLSAMHOKVTDBU-SLEUVZQESA-N -1 3 305.374 3.334 20 30 DGEDHM C[C@H](c1ccccn1)N1CCC[C@@H](Oc2cc([O-])ccc2C#N)C1 ZINC001228007109 1097031399 /nfs/dbraw/zinc/03/13/99/1097031399.db2.gz MYSIZUZZAJGXDX-RHSMWYFYSA-N -1 3 323.396 3.263 20 30 DGEDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)C#C[Si](C)(C)C ZINC001228622827 1097155004 /nfs/dbraw/zinc/15/50/04/1097155004.db2.gz MDWWXUGOHONIAC-GFCCVEGCSA-N -1 3 316.429 3.455 20 30 DGEDHM C=C[C@]1(C)CC[C@H](Oc2n[n-]c(-c3ccncc3)n2)C(C)(C)O1 ZINC001228699960 1097171010 /nfs/dbraw/zinc/17/10/10/1097171010.db2.gz LQKLIUBDZWNBNB-SUMWQHHRSA-N -1 3 314.389 3.148 20 30 DGEDHM O=C1CC[C@@H](COc2ccccc2/C=N/c2ccccc2[O-])O1 ZINC001229932984 1097414382 /nfs/dbraw/zinc/41/43/82/1097414382.db2.gz JUGRWCWZVIJGNF-YRIIZNAFSA-N -1 3 311.337 3.227 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccccc2-c2nnn[n-]2)O1 ZINC001229954769 1097416778 /nfs/dbraw/zinc/41/67/78/1097416778.db2.gz OYSKUJBPDVOKKQ-WMLDXEAASA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccccc2-c2nn[n-]n2)O1 ZINC001229954769 1097416781 /nfs/dbraw/zinc/41/67/81/1097416781.db2.gz OYSKUJBPDVOKKQ-WMLDXEAASA-N -1 3 314.389 3.148 20 30 DGEDHM COc1cc(OC)c(Nc2cc(C#N)ccc2[O-])c(OC)c1 ZINC001173909878 1097536490 /nfs/dbraw/zinc/53/64/90/1097536490.db2.gz AYUKWCOJLPCXKZ-UHFFFAOYSA-N -1 3 300.314 3.033 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](Oc2nc(=O)[n-]c3c2SCC3)C(C)(C)O1 ZINC001230792740 1097588524 /nfs/dbraw/zinc/58/85/24/1097588524.db2.gz UEVZBRGJCDOXBB-BDJLRTHQSA-N -1 3 322.430 3.112 20 30 DGEDHM C=C[C@]1(C)CC[C@H](Oc2ccc(-c3nn[n-]n3)cc2)C(C)(C)O1 ZINC001231077370 1097662912 /nfs/dbraw/zinc/66/29/12/1097662912.db2.gz SQWIVWGRNGIZDO-WMLDXEAASA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cccc(-c3nnn[n-]3)c2)O1 ZINC001231118444 1097672724 /nfs/dbraw/zinc/67/27/24/1097672724.db2.gz OGOQBBMACOFRAY-PBHICJAKSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2cccc(-c3nn[n-]n3)c2)O1 ZINC001231118444 1097672731 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N#Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c2cccnc12 ZINC001175432593 1098046808 /nfs/dbraw/zinc/04/68/08/1098046808.db2.gz QQJJIAPHXVFLLG-UHFFFAOYSA-N -1 3 313.324 3.030 20 30 DGEDHM N#C[C@@H]1CC[C@@H](Oc2nc3cc(Cl)c([N+](=O)[O-])cc3[n-]2)C1 ZINC001233497743 1098351491 /nfs/dbraw/zinc/35/14/91/1098351491.db2.gz HNVQVOJTQWPVFP-HTQZYQBOSA-N -1 3 306.709 3.196 20 30 DGEDHM C#C[C@H]1CCC[C@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233506786 1098356574 /nfs/dbraw/zinc/35/65/74/1098356574.db2.gz RLCBJEYYBYSHJP-ISVAXAHUSA-N -1 3 305.721 3.305 20 30 DGEDHM COc1cc(/C=N/[O-])ccc1OC1CC(C)(C)N(O)C(C)(C)C1 ZINC001233800975 1098433100 /nfs/dbraw/zinc/43/31/00/1098433100.db2.gz UPJMTXOEKUCPKI-WOJGMQOQSA-N -1 3 322.405 3.293 20 30 DGEDHM C[C@@H]1C[C@@H](Oc2cc([O-])cc(C#N)c2)CN1C(=O)OC(C)(C)C ZINC001234139639 1098502802 /nfs/dbraw/zinc/50/28/02/1098502802.db2.gz IPEUFSYHYXJOEE-IAQYHMDHSA-N -1 3 318.373 3.041 20 30 DGEDHM N#Cc1cc([O-])cc(OC[C@@H]2CCC(c3ccccc3)=NO2)c1 ZINC001234146879 1098503850 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C=CCC1(NC(=O)c2cc(OC)c([O-])c(OC)c2)CCCC1 ZINC000619108404 400770801 /nfs/dbraw/zinc/77/08/01/400770801.db2.gz VADYGJOSCGBTDN-UHFFFAOYSA-N -1 3 305.374 3.028 20 30 DGEDHM CN(CC(C)(C)C#N)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598736902 400869645 /nfs/dbraw/zinc/86/96/45/400869645.db2.gz KJXMHMKIZZFKII-UHFFFAOYSA-N -1 3 300.280 3.033 20 30 DGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000619461271 400851576 /nfs/dbraw/zinc/85/15/76/400851576.db2.gz FCAMLMQONQPUBE-UHFFFAOYSA-N -1 3 324.764 3.346 20 30 DGEDHM Cc1sc([N-]C(=O)c2scc3c2OCCO3)c(C#N)c1C ZINC000593944637 400923449 /nfs/dbraw/zinc/92/34/49/400923449.db2.gz YNYHGQTXVWYDBM-UHFFFAOYSA-N -1 3 320.395 3.322 20 30 DGEDHM CC(=O)c1cccc(NC(=O)CC2(C#N)CCCCC2)c1[O-] ZINC000614861568 400955624 /nfs/dbraw/zinc/95/56/24/400955624.db2.gz PUYPWNSAIHHJKB-UHFFFAOYSA-N -1 3 300.358 3.397 20 30 DGEDHM O=C(COC1CCCC1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731303 401091479 /nfs/dbraw/zinc/09/14/79/401091479.db2.gz ROCNIEODDUGDIM-UHFFFAOYSA-N -1 3 322.315 3.297 20 30 DGEDHM O=C(COC1CCCC1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731303 401091483 /nfs/dbraw/zinc/09/14/83/401091483.db2.gz ROCNIEODDUGDIM-UHFFFAOYSA-N -1 3 322.315 3.297 20 30 DGEDHM O=C(COC1CCCC1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731303 401091487 /nfs/dbraw/zinc/09/14/87/401091487.db2.gz ROCNIEODDUGDIM-UHFFFAOYSA-N -1 3 322.315 3.297 20 30 DGEDHM C=CCOc1cccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000628374579 401585295 /nfs/dbraw/zinc/58/52/95/401585295.db2.gz QXPNTRPDFSZFDS-UHFFFAOYSA-N -1 3 313.401 3.080 20 30 DGEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(C)c1 ZINC000194726767 165354349 /nfs/dbraw/zinc/35/43/49/165354349.db2.gz NRHJPIPPURSTLH-UHFFFAOYSA-N -1 3 316.382 3.066 20 30 DGEDHM N#CC(=C([O-])c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccccn1 ZINC000176526360 228314233 /nfs/dbraw/zinc/31/42/33/228314233.db2.gz AAMOWNZXDKTRQH-INIZCTEOSA-N -1 3 315.332 3.131 20 30 DGEDHM CCn1cc(C(=O)[N-]c2c(C)noc2C)c(C(F)(F)F)n1 ZINC000331255580 229025153 /nfs/dbraw/zinc/02/51/53/229025153.db2.gz ALLFGFAKSXBZTN-UHFFFAOYSA-N -1 3 302.256 3.163 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc3ncccc3c2)nc(C)n1 ZINC000340186516 229086737 /nfs/dbraw/zinc/08/67/37/229086737.db2.gz RZJZPPQKYGFNRH-HNNXBMFYSA-N -1 3 302.337 3.132 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(Cl)c(F)c2)nc(C)n1 ZINC000345996300 229162385 /nfs/dbraw/zinc/16/23/85/229162385.db2.gz SCMPSKMWRFDWKS-NSHDSACASA-N -1 3 303.724 3.376 20 30 DGEDHM N#CC(=C([O-])c1cccc(OC2CCCC2)c1)c1ccncn1 ZINC000354474761 229296352 /nfs/dbraw/zinc/29/63/52/229296352.db2.gz ZGKDLEMKTUCUDA-MRXNPFEDSA-N -1 3 307.353 3.288 20 30 DGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000355846644 229319298 /nfs/dbraw/zinc/31/92/98/229319298.db2.gz SSJIEYIXUZJXDU-UHFFFAOYSA-N -1 3 306.774 3.207 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(F)c1 ZINC000357475169 269918012 /nfs/dbraw/zinc/91/80/12/269918012.db2.gz RWARRINVGRBCCQ-UHFFFAOYSA-N -1 3 322.336 3.087 20 30 DGEDHM CCCCn1c(SCc2cccc(C#N)c2F)n[n-]c1=O ZINC000353219504 265349102 /nfs/dbraw/zinc/34/91/02/265349102.db2.gz NDCQDFJYKPOUFR-UHFFFAOYSA-N -1 3 306.366 3.087 20 30 DGEDHM CCCOc1cc([O-])ccc1NC(=O)c1cscc1C#N ZINC000507309415 267027824 /nfs/dbraw/zinc/02/78/24/267027824.db2.gz BPXKCSQJUNWULC-UHFFFAOYSA-N -1 3 302.355 3.366 20 30 DGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000356136515 267948753 /nfs/dbraw/zinc/94/87/53/267948753.db2.gz YIAHSPHAPYRMDC-AWEZNQCLSA-N -1 3 324.833 3.213 20 30 DGEDHM N#Cc1ccc(Cl)c(C(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000350124833 268096612 /nfs/dbraw/zinc/09/66/12/268096612.db2.gz REHYKFOPENPEKX-UHFFFAOYSA-N -1 3 314.704 3.253 20 30 DGEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3cnsn3)sc2[C@@H](C)C1 ZINC000297946132 279010568 /nfs/dbraw/zinc/01/05/68/279010568.db2.gz UOCXNWLUMGBVKU-YUMQZZPRSA-N -1 3 318.427 3.409 20 30 DGEDHM C[C@H](OCc1ccccc1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073914370 431388116 /nfs/dbraw/zinc/38/81/16/431388116.db2.gz HLAIGJODIYLYIP-NSHDSACASA-N -1 3 312.329 3.258 20 30 DGEDHM C[C@H](OCc1ccccc1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073914370 431388124 /nfs/dbraw/zinc/38/81/24/431388124.db2.gz HLAIGJODIYLYIP-NSHDSACASA-N -1 3 312.329 3.258 20 30 DGEDHM C[C@H](OCc1ccccc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073914370 431388130 /nfs/dbraw/zinc/38/81/30/431388130.db2.gz HLAIGJODIYLYIP-NSHDSACASA-N -1 3 312.329 3.258 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000116905069 431539253 /nfs/dbraw/zinc/53/92/53/431539253.db2.gz HJOZBCQCQAQNOM-QMMMGPOBSA-N -1 3 311.300 3.087 20 30 DGEDHM N#Cc1cc(NC(=O)c2c[n-]nc2-c2ccccc2)ccc1F ZINC000078728304 431702429 /nfs/dbraw/zinc/70/24/29/431702429.db2.gz COICCTSEDMFIRW-UHFFFAOYSA-N -1 3 306.300 3.340 20 30 DGEDHM N#CC(=C([O-])c1ccccc1OC[C@H]1CCCO1)c1ccccn1 ZINC000078732644 431703068 /nfs/dbraw/zinc/70/30/68/431703068.db2.gz WDBWXWQGKLPTIN-ZBFHGGJFSA-N -1 3 322.364 3.129 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000120198503 431724706 /nfs/dbraw/zinc/72/47/06/431724706.db2.gz PUDZEIAFRGGMIF-GFCCVEGCSA-N 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VQFPLOHRVXSHGE-OAHLLOKOSA-N -1 3 302.337 3.066 20 30 DGEDHM C#CCCCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000192166624 432339129 /nfs/dbraw/zinc/33/91/29/432339129.db2.gz GCWTVJXKZBASNU-UHFFFAOYSA-N -1 3 324.218 3.307 20 30 DGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000272436896 432499732 /nfs/dbraw/zinc/49/97/32/432499732.db2.gz NZQNKDUSEQMXEX-ZDUSSCGKSA-N -1 3 318.801 3.086 20 30 DGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000272534324 432519328 /nfs/dbraw/zinc/51/93/28/432519328.db2.gz ZZCZFJFEINBYIZ-CYBMUJFWSA-N -1 3 318.801 3.086 20 30 DGEDHM N#Cc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1F ZINC000186567661 432609628 /nfs/dbraw/zinc/60/96/28/432609628.db2.gz JCUHLNOLYPVHLT-UHFFFAOYSA-N -1 3 312.329 3.401 20 30 DGEDHM N#Cc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1F ZINC000186567661 432609633 /nfs/dbraw/zinc/60/96/33/432609633.db2.gz JCUHLNOLYPVHLT-UHFFFAOYSA-N -1 3 312.329 3.401 20 30 DGEDHM CCn1nc(C)c(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1C ZINC000263787699 432577696 /nfs/dbraw/zinc/57/76/96/432577696.db2.gz PMNOVMGAOMRRAU-VQHVLOKHSA-N -1 3 300.358 3.130 20 30 DGEDHM O=C1[C@@H](/N=C/c2ccccc2[O-])CCCN1C1CCCCC1 ZINC000276208437 432782343 /nfs/dbraw/zinc/78/23/43/432782343.db2.gz WCUQYYOXWOTXEJ-HUCUOGIVSA-N -1 3 300.402 3.135 20 30 DGEDHM N#C[C@H]([N-]C(=O)c1c(F)cc(F)cc1F)c1ccccc1F ZINC000161451305 432780213 /nfs/dbraw/zinc/78/02/13/432780213.db2.gz GMIOCMQOTKIHMU-ZDUSSCGKSA-N -1 3 308.234 3.238 20 30 DGEDHM CCS[C@@H]1CCC[C@@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000267298120 432831112 /nfs/dbraw/zinc/83/11/12/432831112.db2.gz JQLOHFBQSNLZNG-QEHPPJGSSA-N -1 3 308.447 3.071 20 30 DGEDHM Cc1ccc(C#N)c(NCc2ccc([O-])c(Br)c2)n1 ZINC000161913202 432804220 /nfs/dbraw/zinc/80/42/20/432804220.db2.gz GHURMBMWHAPQQK-UHFFFAOYSA-N -1 3 318.174 3.342 20 30 DGEDHM C=CCCO[C@H](C)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000278050385 432881232 /nfs/dbraw/zinc/88/12/32/432881232.db2.gz LGKQIODGBVXKSR-LLVKDONJSA-N -1 3 304.346 3.495 20 30 DGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC(C)(C)C#N)c2)n1 ZINC000278243153 432889226 /nfs/dbraw/zinc/88/92/26/432889226.db2.gz LFRCNNMOSDLONV-UHFFFAOYSA-N -1 3 324.384 3.290 20 30 DGEDHM CCCOc1ccc(/C=N/C[C@@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000278244733 432891086 /nfs/dbraw/zinc/89/10/86/432891086.db2.gz LVRSZUUQTPJRRF-JLWFYQMASA-N -1 3 317.360 3.473 20 30 DGEDHM COc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1C#N ZINC000277415919 432848476 /nfs/dbraw/zinc/84/84/76/432848476.db2.gz SPETXNCWFUQBCY-FZKQIMNGSA-N -1 3 324.380 3.118 20 30 DGEDHM C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000289007520 432912148 /nfs/dbraw/zinc/91/21/48/432912148.db2.gz DRZXDTRNXDAXIC-IUODEOHRSA-N -1 3 316.357 3.290 20 30 DGEDHM C=CCN(Cc1cccc(C#N)c1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000298256852 433072139 /nfs/dbraw/zinc/07/21/39/433072139.db2.gz UXUPMNYIMATQAY-CQSZACIVSA-N -1 3 308.385 3.112 20 30 DGEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1nc2ccccc2[nH]1 ZINC000447252271 433174559 /nfs/dbraw/zinc/17/45/59/433174559.db2.gz QVZJSQVRGVUKOX-ZDUSSCGKSA-N -1 3 302.337 3.325 20 30 DGEDHM C#CCO[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000291265664 433228517 /nfs/dbraw/zinc/22/85/17/433228517.db2.gz NIZMZNKTZZHAOO-RTBURBONSA-N -1 3 321.376 3.050 20 30 DGEDHM Cc1nc2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)ccc2o1 ZINC000361664609 433330550 /nfs/dbraw/zinc/33/05/50/433330550.db2.gz NPPHWCFNAVDUHF-ZDUSSCGKSA-N -1 3 306.325 3.033 20 30 DGEDHM CNc1ccc(C#N)cc1NC(=O)c1cn[n-]c1-c1ccsc1 ZINC000355658701 433554901 /nfs/dbraw/zinc/55/49/01/433554901.db2.gz RZSHKXHRJVCLGS-UHFFFAOYSA-N -1 3 323.381 3.304 20 30 DGEDHM CNc1ccc(C#N)cc1NC(=O)c1c[n-]nc1-c1ccsc1 ZINC000355658701 433554916 /nfs/dbraw/zinc/55/49/16/433554916.db2.gz RZSHKXHRJVCLGS-UHFFFAOYSA-N -1 3 323.381 3.304 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccn1C ZINC000362191843 433576622 /nfs/dbraw/zinc/57/66/22/433576622.db2.gz RILCSVBHOXZNBL-LBPRGKRZSA-N -1 3 321.302 3.491 20 30 DGEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000426757545 433588804 /nfs/dbraw/zinc/58/88/04/433588804.db2.gz DDLXMDDSPZHZLU-HNNXBMFYSA-N -1 3 318.735 3.266 20 30 DGEDHM COCc1cccc2sc([N-]C(=O)c3ccc(C#N)o3)nc21 ZINC000339970117 433874589 /nfs/dbraw/zinc/87/45/89/433874589.db2.gz ZDIHTAREPMOJEV-UHFFFAOYSA-N -1 3 313.338 3.160 20 30 DGEDHM N#Cc1csc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)n1 ZINC000357078689 433857991 /nfs/dbraw/zinc/85/79/91/433857991.db2.gz LUETVODKNLHZKW-UKTHLTGXSA-N -1 3 320.377 3.294 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000449940025 433880323 /nfs/dbraw/zinc/88/03/23/433880323.db2.gz PRMSOFYEVKROOH-UHFFFAOYSA-N -1 3 306.316 3.291 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000449940025 433880330 /nfs/dbraw/zinc/88/03/30/433880330.db2.gz PRMSOFYEVKROOH-UHFFFAOYSA-N -1 3 306.316 3.291 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000449940025 433880339 /nfs/dbraw/zinc/88/03/39/433880339.db2.gz PRMSOFYEVKROOH-UHFFFAOYSA-N 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CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000577694469 435061722 /nfs/dbraw/zinc/06/17/22/435061722.db2.gz UOAKMERFASRLSX-VIFPVBQESA-N -1 3 321.229 3.105 20 30 DGEDHM N#CCC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000530342829 435044905 /nfs/dbraw/zinc/04/49/05/435044905.db2.gz NDNWOIVJMKFHNE-UHFFFAOYSA-N -1 3 304.365 3.006 20 30 DGEDHM Cc1nc([N-]C(=O)c2cc(C3CC3)no2)sc1SCC#N ZINC000575998815 435052868 /nfs/dbraw/zinc/05/28/68/435052868.db2.gz BDSZTLJRZMORSD-UHFFFAOYSA-N -1 3 320.399 3.185 20 30 DGEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576356634 435055875 /nfs/dbraw/zinc/05/58/75/435055875.db2.gz GJVZTWZZRYWSPX-UHFFFAOYSA-N -1 3 315.417 3.268 20 30 DGEDHM C=CCC1(NC(=O)c2cc(F)cc3nn[n-]c32)CCCCC1 ZINC000576560321 435056962 /nfs/dbraw/zinc/05/69/62/435056962.db2.gz DWTUTBQELPWSFQ-UHFFFAOYSA-N -1 3 302.353 3.106 20 30 DGEDHM C=CCC1(NC(=O)c2cc(F)cc3[n-]nnc32)CCCCC1 ZINC000576560321 435056964 /nfs/dbraw/zinc/05/69/64/435056964.db2.gz DWTUTBQELPWSFQ-UHFFFAOYSA-N -1 3 302.353 3.106 20 30 DGEDHM C=CCC1(NC(=O)c2cc(F)cc3n[n-]nc32)CCCCC1 ZINC000576560321 435056967 /nfs/dbraw/zinc/05/69/67/435056967.db2.gz DWTUTBQELPWSFQ-UHFFFAOYSA-N -1 3 302.353 3.106 20 30 DGEDHM C[C@@H](O[N-]C(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccc1 ZINC000493235272 435130912 /nfs/dbraw/zinc/13/09/12/435130912.db2.gz FOGMWTTUPWZWLF-SAAWKEMMSA-N -1 3 322.364 3.411 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc([C@@H]3CCOC3)c2)nc(C)n1 ZINC000535650722 435340760 /nfs/dbraw/zinc/34/07/60/435340760.db2.gz LAYYEZULZCVOHO-SJORKVTESA-N -1 3 321.380 3.087 20 30 DGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000570123952 435590059 /nfs/dbraw/zinc/59/00/59/435590059.db2.gz YAQGUUUHIQQZJJ-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@]2(C)CC2(F)F)c1 ZINC000641413050 435736754 /nfs/dbraw/zinc/73/67/54/435736754.db2.gz YLJLBWYFDXQWFM-CYBMUJFWSA-N -1 3 317.357 3.038 20 30 DGEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000491193193 435712815 /nfs/dbraw/zinc/71/28/15/435712815.db2.gz WQXXIQPAXSXSSH-AWEZNQCLSA-N -1 3 324.384 3.081 20 30 DGEDHM C=CCCn1cc(C=C(CC)c2nc(CCC)cc(=O)[n-]2)nn1 ZINC000656613760 435984692 /nfs/dbraw/zinc/98/46/92/435984692.db2.gz QIQRDBFMWRFLSW-RAXLEYEMSA-N -1 3 313.405 3.253 20 30 DGEDHM C=CCCn1cc(C=C(CC)c2nc(CCC)cc(=O)[n-]2)nn1 ZINC000656613759 435986154 /nfs/dbraw/zinc/98/61/54/435986154.db2.gz QIQRDBFMWRFLSW-JLHYYAGUSA-N -1 3 313.405 3.253 20 30 DGEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000661413568 436060052 /nfs/dbraw/zinc/06/00/52/436060052.db2.gz FECRPMPEAXJWQX-HIFRSBDPSA-N -1 3 306.381 3.465 20 30 DGEDHM Cc1cc(C#N)cnc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000560379564 314916250 /nfs/dbraw/zinc/91/62/50/314916250.db2.gz IEGAVPGVVDFQRB-NSHDSACASA-N -1 3 307.353 3.121 20 30 DGEDHM CN(C(=O)Cc1ccc([O-])cc1Cl)c1cccc(C#N)c1 ZINC000182231413 323287881 /nfs/dbraw/zinc/28/78/81/323287881.db2.gz UYIDQYIKNIXOFL-UHFFFAOYSA-N -1 3 300.745 3.123 20 30 DGEDHM CCN(C(=O)c1cccc2[n-]nnc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000183472180 323339362 /nfs/dbraw/zinc/33/93/62/323339362.db2.gz OMSGVNFFLQUEDX-LBPRGKRZSA-N -1 3 319.368 3.053 20 30 DGEDHM CCN(C(=O)c1cccc2nn[n-]c21)[C@@H](C)c1ccc(C#N)cc1 ZINC000183472180 323339367 /nfs/dbraw/zinc/33/93/67/323339367.db2.gz OMSGVNFFLQUEDX-LBPRGKRZSA-N -1 3 319.368 3.053 20 30 DGEDHM CCN(C(=O)c1cccc2n[n-]nc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000183472180 323339371 /nfs/dbraw/zinc/33/93/71/323339371.db2.gz OMSGVNFFLQUEDX-LBPRGKRZSA-N -1 3 319.368 3.053 20 30 DGEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000388704672 323654515 /nfs/dbraw/zinc/65/45/15/323654515.db2.gz LHFSFWXTRJWRRZ-UHFFFAOYSA-N -1 3 318.373 3.423 20 30 DGEDHM CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1SCCC#N ZINC000557535830 331797773 /nfs/dbraw/zinc/79/77/73/331797773.db2.gz KLCFZKQNWLPCBJ-UHFFFAOYSA-N -1 3 324.349 3.083 20 30 DGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cccc(C)c1F ZINC000181057587 333167217 /nfs/dbraw/zinc/16/72/17/333167217.db2.gz KWUIGUBCGHKVIY-UHFFFAOYSA-N -1 3 312.410 3.275 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(C(C)C)n3)nc21 ZINC000345373777 335325636 /nfs/dbraw/zinc/32/56/36/335325636.db2.gz MHQKBQAUXJZMBM-LBPRGKRZSA-N -1 3 307.357 3.139 20 30 DGEDHM CCC[C@H](C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000536686318 335865357 /nfs/dbraw/zinc/86/53/57/335865357.db2.gz HCTJPKPUVJHNFM-MRXNPFEDSA-N -1 3 308.381 3.405 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)Cc1ccccc1-2 ZINC000315608551 340675973 /nfs/dbraw/zinc/67/59/73/340675973.db2.gz CAVLFUSOENHPDL-OAHLLOKOSA-N -1 3 312.394 3.302 20 30 DGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C)cc1[O-] ZINC000130202484 341006350 /nfs/dbraw/zinc/00/63/50/341006350.db2.gz CGPMKYHFOZSJSH-UHFFFAOYSA-N -1 3 306.365 3.401 20 30 DGEDHM CC(C)Cn1ncc(C([O-])=C(C#N)c2ccccn2)c1C(F)F ZINC000136535035 341261418 /nfs/dbraw/zinc/26/14/18/341261418.db2.gz AIVZNWOIXMYZKO-NSHDSACASA-N -1 3 318.327 3.362 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3ncoc3C3CC3)[nH]c21 ZINC000551816386 341352833 /nfs/dbraw/zinc/35/28/33/341352833.db2.gz FNRZYHIZUBQJFT-LLVKDONJSA-N -1 3 306.325 3.227 20 30 DGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000152743853 341503889 /nfs/dbraw/zinc/50/38/89/341503889.db2.gz FCJDSWBNCTVJEQ-ZETCQYMHSA-N -1 3 313.728 3.212 20 30 DGEDHM C=CC1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000574698227 341766247 /nfs/dbraw/zinc/76/62/47/341766247.db2.gz ZOQMJAUPHLUENR-UHFFFAOYSA-N -1 3 309.793 3.315 20 30 DGEDHM COc1cc(Cl)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000344732162 533953054 /nfs/dbraw/zinc/95/30/54/533953054.db2.gz RNUIIZQBEKVFPI-CQSZACIVSA-N -1 3 315.760 3.246 20 30 DGEDHM Cc1nc(NC(=O)c2ccc([O-])c(C)c2)sc1SCC#N ZINC000354478557 534483682 /nfs/dbraw/zinc/48/36/82/534483682.db2.gz UUAPGMXWHGSPEP-UHFFFAOYSA-N -1 3 319.411 3.334 20 30 DGEDHM Cc1cccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c1[O-] ZINC000179550595 534609827 /nfs/dbraw/zinc/60/98/27/534609827.db2.gz HDUWWMFUPVPWBD-AWEZNQCLSA-N -1 3 300.745 3.349 20 30 DGEDHM Cc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000362134565 534628617 /nfs/dbraw/zinc/62/86/17/534628617.db2.gz CPEXCCMKSZEOLF-LLVKDONJSA-N -1 3 305.259 3.294 20 30 DGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000443725359 534761481 /nfs/dbraw/zinc/76/14/81/534761481.db2.gz OXSAFMBTUWXIHM-UHFFFAOYSA-N -1 3 324.833 3.070 20 30 DGEDHM C=CCN(CCc1ccco1)C(=O)Cc1ccc([O-])cc1Cl ZINC000353683146 526318760 /nfs/dbraw/zinc/31/87/60/526318760.db2.gz SXSFXSCSBJCXAU-UHFFFAOYSA-N -1 3 319.788 3.438 20 30 DGEDHM C=CCOc1ccccc1C(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000181874032 526928774 /nfs/dbraw/zinc/92/87/74/526928774.db2.gz KEQPAAJWZGBKMW-UHFFFAOYSA-N -1 3 324.340 3.190 20 30 DGEDHM C=CCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000181874032 526928779 /nfs/dbraw/zinc/92/87/79/526928779.db2.gz KEQPAAJWZGBKMW-UHFFFAOYSA-N -1 3 324.340 3.190 20 30 DGEDHM C=CCOc1ccccc1C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000181874032 526928783 /nfs/dbraw/zinc/92/87/83/526928783.db2.gz KEQPAAJWZGBKMW-UHFFFAOYSA-N -1 3 324.340 3.190 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000443640494 527525926 /nfs/dbraw/zinc/52/59/26/527525926.db2.gz NLFSUOAMVNSONG-HNNXBMFYSA-N -1 3 306.316 3.291 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000443640494 527525937 /nfs/dbraw/zinc/52/59/37/527525937.db2.gz NLFSUOAMVNSONG-HNNXBMFYSA-N -1 3 306.316 3.291 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000443640494 527525945 /nfs/dbraw/zinc/52/59/45/527525945.db2.gz NLFSUOAMVNSONG-HNNXBMFYSA-N -1 3 306.316 3.291 20 30 DGEDHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443091655 527651365 /nfs/dbraw/zinc/65/13/65/527651365.db2.gz HSYXUJIELIUKPC-UHFFFAOYSA-N -1 3 312.410 3.190 20 30 DGEDHM CCOc1ccc(N(CCC#N)C(=O)c2cccc([O-])c2)cc1 ZINC000182328153 528480844 /nfs/dbraw/zinc/48/08/44/528480844.db2.gz KRQABMPXVWPSSA-UHFFFAOYSA-N -1 3 310.353 3.351 20 30 DGEDHM CC(C)n1nccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000130161449 528677510 /nfs/dbraw/zinc/67/75/10/528677510.db2.gz AJMKLNCYFZIBOR-LLVKDONJSA-N -1 3 322.290 3.368 20 30 DGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000160809997 529269904 /nfs/dbraw/zinc/26/99/04/529269904.db2.gz VVPHUJLJRSFWSH-JTQLQIEISA-N -1 3 314.819 3.135 20 30 DGEDHM CC[C@@H]1CC[C@H](C)N1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000331232968 529342365 /nfs/dbraw/zinc/34/23/65/529342365.db2.gz JLJSXKJQXYCENK-UONOGXRCSA-N -1 3 318.417 3.185 20 30 DGEDHM O=C(N[C@@H]1CCCNC1=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000330249748 546497520 /nfs/dbraw/zinc/49/75/20/546497520.db2.gz GMMJDGHKLVZSEU-MRVPVSSYSA-N -1 3 324.793 3.215 20 30 DGEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(SC)ccc1[O-] ZINC000667547311 547219899 /nfs/dbraw/zinc/21/98/99/547219899.db2.gz HGFZXQKSPNNCQV-UHFFFAOYSA-N -1 3 305.321 3.305 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccc(-c2nc(C)c(C)o2)cc1 ZINC000676234246 548335508 /nfs/dbraw/zinc/33/55/08/548335508.db2.gz XBMJYONYPGGHBO-UHFFFAOYSA-N -1 3 306.387 3.276 20 30 DGEDHM COc1nc(C)ccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000679091348 548828753 /nfs/dbraw/zinc/82/87/53/548828753.db2.gz UVRUFFOIXGEFIC-OAHLLOKOSA-N -1 3 317.348 3.437 20 30 DGEDHM COCc1cncc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000682995462 549410012 /nfs/dbraw/zinc/41/00/12/549410012.db2.gz WWKPAFGFLDZMOM-QGZVFWFLSA-N -1 3 317.348 3.266 20 30 DGEDHM N#CC(=C([O-])C=CC1CCOCC1)c1ccc2ccccc2n1 ZINC000732707603 574579340 /nfs/dbraw/zinc/57/93/40/574579340.db2.gz BBXDCLGGCCOOJE-SBSDFTTDSA-N -1 3 306.365 3.394 20 30 DGEDHM COc1ccc(C=NNc2ccc(Br)nc2)c([O-])c1 ZINC000732712620 574579748 /nfs/dbraw/zinc/57/97/48/574579748.db2.gz CRFNDMPEHBAFOY-UHFFFAOYSA-N -1 3 322.162 3.004 20 30 DGEDHM CCOc1ccc(C=Nc2ccc(CNC(C)=O)cc2)c([O-])c1 ZINC000733081317 574594796 /nfs/dbraw/zinc/59/47/96/574594796.db2.gz UUIYWWHHKGBWQS-UHFFFAOYSA-N -1 3 312.369 3.178 20 30 DGEDHM O=c1[nH]c2c(cc1CN=Cc1cc(Cl)ccc1[O-])CCC2 ZINC000733080961 574594821 /nfs/dbraw/zinc/59/48/21/574594821.db2.gz HXHXKSZFMSEXJJ-QGMBQPNBSA-N -1 3 302.761 3.254 20 30 DGEDHM C#CCOc1ccccc1C/N=C/c1ccc(OCC)cc1[O-] ZINC000734096201 574650941 /nfs/dbraw/zinc/65/09/41/574650941.db2.gz KYXGNZOLESCPNN-DEDYPNTBSA-N -1 3 309.365 3.422 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNc1cc(F)c(F)cc1F)C(=O)[N-]2 ZINC000734302743 574655553 /nfs/dbraw/zinc/65/55/53/574655553.db2.gz MMGHXDYAUUIDQL-UHFFFAOYSA-N -1 3 323.249 3.320 20 30 DGEDHM [O-]c1c(O)ccc(/C=N\[C@@H]2C[C@@H]2c2c(F)cccc2F)c1O ZINC000734752649 574675721 /nfs/dbraw/zinc/67/57/21/574675721.db2.gz IZCFFNSASWJLIV-GPNPJDTDSA-N -1 3 305.280 3.057 20 30 DGEDHM Cc1cc(Cl)cc(NC(=O)COc2cccc(C#N)c2)c1[O-] ZINC000735117776 574689137 /nfs/dbraw/zinc/68/91/37/574689137.db2.gz FYYGLUBFWGCXTE-UHFFFAOYSA-N -1 3 316.744 3.243 20 30 DGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000735206795 574692395 /nfs/dbraw/zinc/69/23/95/574692395.db2.gz NIIZFYPDYZYCJB-FJOGCWAESA-N -1 3 320.776 3.352 20 30 DGEDHM C=CCN(Cc1ccccc1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000735426807 574701833 /nfs/dbraw/zinc/70/18/33/574701833.db2.gz 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/nfs/dbraw/zinc/70/13/05/574701305.db2.gz RCQLGCXZRFPJSA-UHFFFAOYSA-N -1 3 303.675 3.050 20 30 DGEDHM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000735451407 574703372 /nfs/dbraw/zinc/70/33/72/574703372.db2.gz ZICZWSCOMCNXGJ-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000735451407 574703375 /nfs/dbraw/zinc/70/33/75/574703375.db2.gz ZICZWSCOMCNXGJ-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM O=C1Nc2cccc(Cl)c2C1=N[N-]c1c(F)cccc1F ZINC000735615701 574709878 /nfs/dbraw/zinc/70/98/78/574709878.db2.gz WFDZHQSNBQVSCT-UHFFFAOYSA-N -1 3 307.687 3.387 20 30 DGEDHM CCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737195124 574826714 /nfs/dbraw/zinc/82/67/14/574826714.db2.gz KFRMAZBSVUIDDK-SCLBCKFNSA-N -1 3 324.380 3.433 20 30 DGEDHM CCOCc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737177128 574825691 /nfs/dbraw/zinc/82/56/91/574825691.db2.gz BBBOLDIPPGLCHE-GOSISDBHSA-N -1 3 324.380 3.010 20 30 DGEDHM 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311.345 3.170 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738290502 574864396 /nfs/dbraw/zinc/86/43/96/574864396.db2.gz OQPMJBSGPPACKP-FLIBITNWSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738290502 574864399 /nfs/dbraw/zinc/86/43/99/574864399.db2.gz OQPMJBSGPPACKP-FLIBITNWSA-N -1 3 308.366 3.141 20 30 DGEDHM N#Cc1ccc([C@H](NCCOC2CCCCCC2)C(=O)[O-])cc1 ZINC000739108784 574892547 /nfs/dbraw/zinc/89/25/47/574892547.db2.gz WYJDVMLXNANJFL-KRWDZBQOSA-N -1 3 316.401 3.013 20 30 DGEDHM N#Cc1ccc([C@H](N[C@H]2CCc3ccc(F)cc32)C(=O)[O-])cc1 ZINC000739108809 574892618 /nfs/dbraw/zinc/89/26/18/574892618.db2.gz XEONJYVZWPQVOM-IRXDYDNUSA-N -1 3 310.328 3.100 20 30 DGEDHM CCOc1ccc(/C=N\C[C@](C)(O)c2cccs2)c([O-])c1 ZINC000739426455 574902907 /nfs/dbraw/zinc/90/29/07/574902907.db2.gz MHRHIMNAACFFNT-IUPCOXQMSA-N -1 3 305.399 3.179 20 30 DGEDHM COc1cccc(O[C@H](C)C/N=C/c2c([O-])cccc2OC)c1 ZINC000741845648 574973064 /nfs/dbraw/zinc/97/30/64/574973064.db2.gz 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CC1(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)COC1 ZINC000900679441 619444927 /nfs/dbraw/zinc/44/49/27/619444927.db2.gz RJVYBRNUYMYADS-UHFFFAOYSA-N -1 3 304.173 3.138 20 30 DGEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(F)c([O-])c2)o1 ZINC000901179684 619476963 /nfs/dbraw/zinc/47/69/63/619476963.db2.gz MQCAARMLSHXEND-UHFFFAOYSA-N -1 3 302.309 3.350 20 30 DGEDHM O=C(C[C@H]1CCC2(CCC2)CO1)N([O-])Cc1ccc(F)cc1 ZINC000901372550 619488687 /nfs/dbraw/zinc/48/86/87/619488687.db2.gz GQCCKNLDRXIEMI-OAHLLOKOSA-N -1 3 307.365 3.283 20 30 DGEDHM Cc1cnn(CCC(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC000901369418 619490723 /nfs/dbraw/zinc/49/07/23/619490723.db2.gz CAFQQTQMDNJFIK-UHFFFAOYSA-N -1 3 309.369 3.153 20 30 DGEDHM COc1ccccc1C1(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000901374116 619491383 /nfs/dbraw/zinc/49/13/83/619491383.db2.gz DOGAFVKIFBPOMD-UHFFFAOYSA-N -1 3 315.344 3.284 20 30 DGEDHM O=C(c1cnc2ccsc2c1)N([O-])Cc1ccc(F)cc1 ZINC000901372401 619491441 /nfs/dbraw/zinc/49/14/41/619491441.db2.gz YCTCJEOXYQRKPC-UHFFFAOYSA-N -1 3 302.330 3.467 20 30 DGEDHM O=C([C@H]1Cc2ccccc2S1)N([O-])Cc1ccc(F)cc1 ZINC000901376694 619492331 /nfs/dbraw/zinc/49/23/31/619492331.db2.gz YJCBUSWLDYMNHU-OAHLLOKOSA-N -1 3 303.358 3.261 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2cn(C)nc2C(C)(C)C)cc(O)c1[O-] ZINC000901527390 619511309 /nfs/dbraw/zinc/51/13/09/619511309.db2.gz YXSOKVVTPBPPAO-SREVYHEPSA-N -1 3 314.385 3.333 20 30 DGEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccc([O-])cc1F ZINC000789074311 625354050 /nfs/dbraw/zinc/35/40/50/625354050.db2.gz ZSCUZMKSYIGQBD-UHFFFAOYSA-N -1 3 311.316 3.209 20 30 DGEDHM C=CCN(CCC1(C(=O)[O-])CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000903697695 619800656 /nfs/dbraw/zinc/80/06/56/619800656.db2.gz XLGNSUNJQLSGAU-UHFFFAOYSA-N -1 3 318.373 3.228 20 30 DGEDHM O=C(c1cnc2n1CCCC2)N([O-])Cc1cccc2ccccc21 ZINC000904170422 619891378 /nfs/dbraw/zinc/89/13/78/619891378.db2.gz CEEAHPUARSPHDO-UHFFFAOYSA-N -1 3 321.380 3.404 20 30 DGEDHM O=C(CCCCc1c[nH]nn1)N([O-])Cc1cccc2ccccc21 ZINC000904171343 619891542 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C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192292 619895789 /nfs/dbraw/zinc/89/57/89/619895789.db2.gz HFFKLLXBXFBCKX-MEBBXXQBSA-N -1 3 319.792 3.147 20 30 DGEDHM O=C(c1ocnc1C(F)F)N([O-])CCCCc1ccccc1 ZINC000904195998 619896414 /nfs/dbraw/zinc/89/64/14/619896414.db2.gz MTHKCIIMVJWLID-UHFFFAOYSA-N -1 3 310.300 3.467 20 30 DGEDHM COC1CCC(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC000904197387 619896530 /nfs/dbraw/zinc/89/65/30/619896530.db2.gz BOLGGIXAWRAIFW-UHFFFAOYSA-N -1 3 305.418 3.432 20 30 DGEDHM O=C(CCc1nccs1)N([O-])CCCCc1ccccc1 ZINC000904200831 619897833 /nfs/dbraw/zinc/89/78/33/619897833.db2.gz FWJBIALXRDNAJT-UHFFFAOYSA-N -1 3 304.415 3.316 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H](NC(C)=O)c1cccs1 ZINC000904205290 619898297 /nfs/dbraw/zinc/89/82/97/619898297.db2.gz GAGKBAFPEMXUTG-CYBMUJFWSA-N -1 3 312.435 3.114 20 30 DGEDHM CCCCN([O-])C(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000904212745 619901095 /nfs/dbraw/zinc/90/10/95/619901095.db2.gz UDBRQCSJLMEREN-CYBMUJFWSA-N -1 3 314.426 3.042 20 30 DGEDHM C#C[C@](C)(CC)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000908528746 620208725 /nfs/dbraw/zinc/20/87/25/620208725.db2.gz BHBYRKHOYWGGMA-OAHLLOKOSA-N -1 3 323.418 3.022 20 30 DGEDHM CCOc1cc(CN=Nc2nc(C)cc(C)n2)cc(Cl)c1[O-] ZINC000916241411 620622160 /nfs/dbraw/zinc/62/21/60/620622160.db2.gz ZOYYTDIOSJJAME-UHFFFAOYSA-N -1 3 320.780 3.297 20 30 DGEDHM Cc1[nH]c2ccc(C/N=C\c3c([O-])c(C)ncc3CO)cc2c1C ZINC000920833667 620824218 /nfs/dbraw/zinc/82/42/18/620824218.db2.gz UEYRPBBYCAOZQU-UKWGHVSLSA-N -1 3 323.396 3.305 20 30 DGEDHM CCn1cc(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)cn1 ZINC000920991846 620830394 /nfs/dbraw/zinc/83/03/94/620830394.db2.gz IZCXVQXOPNKNPC-SNAWJCMRSA-N -1 3 306.749 3.167 20 30 DGEDHM [O-]c1ccc(Br)cc1C=NO[C@@H]1CCCCO1 ZINC000755818415 620893011 /nfs/dbraw/zinc/89/30/11/620893011.db2.gz RFLOTUYAPSGFRQ-GFCCVEGCSA-N -1 3 300.152 3.032 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1c(Cl)cccc1Br ZINC000856027828 620954676 /nfs/dbraw/zinc/95/46/76/620954676.db2.gz BTJQJDCXNQBLHA-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM C=CCCO[N-]C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000856031184 620955240 /nfs/dbraw/zinc/95/52/40/620955240.db2.gz GPXPFXUDXQQBNO-UHFFFAOYSA-N -1 3 303.280 3.142 20 30 DGEDHM C=CCCO[N-]C(=O)CCc1ccc(Br)cc1F ZINC000856031363 620955402 /nfs/dbraw/zinc/95/54/02/620955402.db2.gz MNWQNGYWKCVDRO-UHFFFAOYSA-N -1 3 316.170 3.145 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000856033383 620955704 /nfs/dbraw/zinc/95/57/04/620955704.db2.gz DXWWJUGILYBXOE-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM N#Cc1ccc(COC(=O)c2ccc([O-])cc2)c(OC(F)F)c1 ZINC000752528550 621397970 /nfs/dbraw/zinc/39/79/70/621397970.db2.gz KZKLIBNDROGYOC-UHFFFAOYSA-N -1 3 319.263 3.222 20 30 DGEDHM O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc([O-])c(F)c1 ZINC000755579520 621579121 /nfs/dbraw/zinc/57/91/21/621579121.db2.gz SNDBBVMQWWEOEZ-JYRVWZFOSA-N -1 3 306.362 3.034 20 30 DGEDHM Cc1nc2sccc2c(=O)n1N=Cc1c([O-])cccc1Cl ZINC000755604105 621580559 /nfs/dbraw/zinc/58/05/59/621580559.db2.gz KWJQZARZIUQTKW-UHFFFAOYSA-N -1 3 319.773 3.008 20 30 DGEDHM S=c1[n-]c2ccccc2nc1NN=Cc1cc2n(n1)CCCC2 ZINC000863124866 621641028 /nfs/dbraw/zinc/64/10/28/621641028.db2.gz GHSPWBZSACXKGD-UHFFFAOYSA-N -1 3 324.413 3.271 20 30 DGEDHM C[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000757561098 621724645 /nfs/dbraw/zinc/72/46/45/621724645.db2.gz OEGBCTASNCFPMH-CQSZACIVSA-N -1 3 323.396 3.447 20 30 DGEDHM C#CCCCCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000865354179 621900378 /nfs/dbraw/zinc/90/03/78/621900378.db2.gz WYIOCEGSTYBMFI-UHFFFAOYSA-N -1 3 306.431 3.350 20 30 DGEDHM C#CCOc1cccc(-c2noc(-c3ccc(C)cc3[O-])n2)c1 ZINC000761782299 622029026 /nfs/dbraw/zinc/02/90/26/622029026.db2.gz QVVFZHKCXYZJQZ-UHFFFAOYSA-N -1 3 306.321 3.430 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000763098342 622122860 /nfs/dbraw/zinc/12/28/60/622122860.db2.gz WLVDUXRNJOSIAK-KHIIKVJLSA-N -1 3 322.836 3.108 20 30 DGEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000764456212 622195181 /nfs/dbraw/zinc/19/51/81/622195181.db2.gz GTCLAKSCLJAEDW-UHFFFAOYSA-N -1 3 317.747 3.460 20 30 DGEDHM C#CCOc1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000764506282 622199602 /nfs/dbraw/zinc/19/96/02/622199602.db2.gz WYXYXBDANKJLJY-UHFFFAOYSA-N -1 3 301.729 3.310 20 30 DGEDHM CC(N=Nc1ncnc2ccsc21)c1ccc(F)cc1[O-] ZINC000764839857 622225017 /nfs/dbraw/zinc/22/50/17/622225017.db2.gz APPNSTMDAMLYTE-UHFFFAOYSA-N -1 3 302.334 3.372 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(C#N)c(C)c2)c(OC)cc1[O-] ZINC000766491863 622333768 /nfs/dbraw/zinc/33/37/68/622333768.db2.gz SBRBFJUZZMZQOY-ALCCZGGFSA-N -1 3 323.348 3.486 20 30 DGEDHM COc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1OC(C)C ZINC000767338853 622391010 /nfs/dbraw/zinc/39/10/10/622391010.db2.gz RYORFBDFRDAVKG-UHFFFAOYSA-N -1 3 317.341 3.350 20 30 DGEDHM O=C(C1CCCC1)N1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000122910663 622427837 /nfs/dbraw/zinc/42/78/37/622427837.db2.gz PARQEPKHOOYWJB-GDXCHIGESA-N -1 3 320.820 3.256 20 30 DGEDHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@H]1CCC[C@H]1C#N ZINC000870670182 622493550 /nfs/dbraw/zinc/49/35/50/622493550.db2.gz ACZDFPCIEIOZKC-GWCFXTLKSA-N -1 3 300.383 3.371 20 30 DGEDHM [O-]c1ccc(C=NNc2ccnc(Br)c2)cc1F ZINC000769804766 622562681 /nfs/dbraw/zinc/56/26/81/622562681.db2.gz VYTUXHKAXXOWLQ-UHFFFAOYSA-N -1 3 310.126 3.135 20 30 DGEDHM C[C@@H]1C[C@H](C/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000770566838 622646554 /nfs/dbraw/zinc/64/65/54/622646554.db2.gz ADJZMJDVVMOGGU-OOIWVLDFSA-N -1 3 312.207 3.389 20 30 DGEDHM COc1ccc(CCC(=O)[N-]OCc2ccc(C#N)cc2C)cc1 ZINC000871797881 622702634 /nfs/dbraw/zinc/70/26/34/622702634.db2.gz HPLXCGWIAXSCRM-UHFFFAOYSA-N -1 3 324.380 3.056 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccnc(Cl)c2)nc(C)n1 ZINC000771259398 622734455 /nfs/dbraw/zinc/73/44/55/622734455.db2.gz ZPNIKWFPINADFT-DHCBQETCSA-N -1 3 312.760 3.032 20 30 DGEDHM CC(C)c1nccnc1[N-]N=C1C(=O)Nc2cccc(Cl)c21 ZINC000773079113 622979594 /nfs/dbraw/zinc/97/95/94/622979594.db2.gz UPFCCZVVOCRKJB-UHFFFAOYSA-N -1 3 315.764 3.022 20 30 DGEDHM Cn1[n-]ccc1=NN=C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000774411230 623141178 /nfs/dbraw/zinc/14/11/78/623141178.db2.gz FHULYTRYZDMGBP-UHFFFAOYSA-N -1 3 308.307 3.206 20 30 DGEDHM CC(C)(C)c1cc(C(=O)[N-]c2cc(C#N)c(F)cc2F)no1 ZINC000876346111 623591543 /nfs/dbraw/zinc/59/15/43/623591543.db2.gz JPBOJHYLGBXSSS-UHFFFAOYSA-N -1 3 305.284 3.374 20 30 DGEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])[C@@H]1CCCOC1 ZINC000779707379 623788344 /nfs/dbraw/zinc/78/83/44/623788344.db2.gz MUSNZOYIECKOHJ-PSVSFXRKSA-N -1 3 312.207 3.389 20 30 DGEDHM O=c1nc(C=N[O-])ccn1CC1CCC(c2ccccc2)CC1 ZINC000780125661 623864373 /nfs/dbraw/zinc/86/43/73/623864373.db2.gz ORBSYOOXLVWRRH-UHFFFAOYSA-N -1 3 311.385 3.025 20 30 DGEDHM C=CCCCCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000782547411 624262598 /nfs/dbraw/zinc/26/25/98/624262598.db2.gz BMMBECZOSOOBHU-UHFFFAOYSA-N -1 3 316.401 3.498 20 30 DGEDHM Cc1cc(=O)[n-]c(CSCc2ccc(C#N)cc2Cl)n1 ZINC000783935576 624410874 /nfs/dbraw/zinc/41/08/74/624410874.db2.gz OKIMGPWJTWTGLP-UHFFFAOYSA-N -1 3 305.790 3.449 20 30 DGEDHM C#CCCCCCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784620241 624559237 /nfs/dbraw/zinc/55/92/37/624559237.db2.gz URWMZBMXLDDNMN-UHFFFAOYSA-N -1 3 314.341 3.069 20 30 DGEDHM N#Cc1ccc(COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787829175 625059805 /nfs/dbraw/zinc/05/98/05/625059805.db2.gz LUCQKMDJLVLDER-UHFFFAOYSA-N -1 3 313.328 3.469 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCOC(F)(F)F ZINC000788673388 625240383 /nfs/dbraw/zinc/24/03/83/625240383.db2.gz MUJWWIULCFTDHX-GIDUJCDVSA-N -1 3 312.085 3.110 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)CCN3C)ccc1[O-] ZINC000130729949 625896767 /nfs/dbraw/zinc/89/67/67/625896767.db2.gz SLXFGIBGSPOGQQ-QPJJXVBHSA-N -1 3 309.365 3.289 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccccc2Cl)c1[O-] ZINC000792569587 625960441 /nfs/dbraw/zinc/96/04/41/625960441.db2.gz KIMMYVWQERPNIR-AFWYBORESA-N -1 3 304.777 3.421 20 30 DGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(C)c2)c1 ZINC000796789050 626083485 /nfs/dbraw/zinc/08/34/85/626083485.db2.gz MHCBVWJIBQMYBY-AWEZNQCLSA-N -1 3 314.366 3.026 20 30 DGEDHM COC(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1C ZINC000797784890 626168544 /nfs/dbraw/zinc/16/85/44/626168544.db2.gz MWLRGXNEVXEUPT-UHFFFAOYSA-N -1 3 316.313 3.041 20 30 DGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000798467456 626219569 /nfs/dbraw/zinc/21/95/69/626219569.db2.gz BCUXAZMVKVQZSZ-QMMMGPOBSA-N -1 3 309.218 3.021 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1(C(C)C)CC1 ZINC000799676286 626320557 /nfs/dbraw/zinc/32/05/57/626320557.db2.gz ZZUKSLWLXKDSPJ-UHFFFAOYSA-N -1 3 316.401 3.188 20 30 DGEDHM COc1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)ccc1OCC#N ZINC000806563851 626721596 /nfs/dbraw/zinc/72/15/96/626721596.db2.gz BGNRDEBTXKWKQK-KXFIGUGUSA-N -1 3 323.352 3.141 20 30 DGEDHM COc1cc(F)cc(NN=C2CCc3c2ccc([O-])c3F)c1 ZINC000807977740 626781964 /nfs/dbraw/zinc/78/19/64/626781964.db2.gz YKQNSAMIHRSMAA-UHFFFAOYSA-N -1 3 304.296 3.441 20 30 DGEDHM N#Cc1ccc(COC(=O)c2cc([O-])cc(C#N)c2)c(Cl)c1 ZINC000811185058 627254487 /nfs/dbraw/zinc/25/44/87/627254487.db2.gz YBLNYYNBBYDEIL-UHFFFAOYSA-N -1 3 312.712 3.146 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2ccc(-c3ccccn3)cc2)c1[O-] ZINC000811625733 627296445 /nfs/dbraw/zinc/29/64/45/627296445.db2.gz UREVQBIQACCCRH-UHFFFAOYSA-N -1 3 319.364 3.401 20 30 DGEDHM C(=[NH+][N-]c1ncnc2[n-]cnc21)c1ccc(C2CCCC2)cc1 ZINC000812227261 627361591 /nfs/dbraw/zinc/36/15/91/627361591.db2.gz WPFPSWCKYVZJFE-UHFFFAOYSA-N -1 3 306.373 3.457 20 30 DGEDHM O=[N+]([O-])c1ccccc1NCC/N=C/c1cc(Cl)ccc1[O-] ZINC000005279063 627559486 /nfs/dbraw/zinc/55/94/86/627559486.db2.gz JHWQEYLPTBXLII-LICLKQGHSA-N -1 3 319.748 3.485 20 30 DGEDHM C=CCCCN(C)c1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000819740457 628185072 /nfs/dbraw/zinc/18/50/72/628185072.db2.gz ZXINOCYXBIYMPS-UHFFFAOYSA-N -1 3 308.389 3.126 20 30 DGEDHM C=CCCCN(C)c1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000819740457 628185075 /nfs/dbraw/zinc/18/50/75/628185075.db2.gz ZXINOCYXBIYMPS-UHFFFAOYSA-N -1 3 308.389 3.126 20 30 DGEDHM CC(C)(C#N)c1ccccc1COc1ccc(-c2nn[n-]n2)cc1 ZINC000819891897 628196951 /nfs/dbraw/zinc/19/69/51/628196951.db2.gz KNFAEPGKNCINTQ-UHFFFAOYSA-N -1 3 319.368 3.247 20 30 DGEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000820455702 628260847 /nfs/dbraw/zinc/26/08/47/628260847.db2.gz MBZLJVLIKZZSOK-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM CCOc1cc(/C=C\C(=O)c2cc(OC)no2)cc(Cl)c1[O-] ZINC000821021818 628327369 /nfs/dbraw/zinc/32/73/69/628327369.db2.gz LFADXLXXJZLMNK-PLNGDYQASA-N -1 3 323.732 3.337 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000822225356 628430650 /nfs/dbraw/zinc/43/06/50/628430650.db2.gz ZSDUFNUEBRQSIE-HYXAFXHYSA-N -1 3 302.384 3.194 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822225089 628430759 /nfs/dbraw/zinc/43/07/59/628430759.db2.gz NSHNHNSRWCXOKL-CMDGGOBGSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822225089 628430763 /nfs/dbraw/zinc/43/07/63/628430763.db2.gz NSHNHNSRWCXOKL-CMDGGOBGSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822231009 628431735 /nfs/dbraw/zinc/43/17/35/628431735.db2.gz XOUNIUPGVPGWTR-WAYWQWQTSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822231009 628431736 /nfs/dbraw/zinc/43/17/36/628431736.db2.gz XOUNIUPGVPGWTR-WAYWQWQTSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1C ZINC000822284516 628436423 /nfs/dbraw/zinc/43/64/23/628436423.db2.gz SFUPMWVMIYYRTB-SOFGYWHQSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cccc2c1CC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822341472 628442741 /nfs/dbraw/zinc/44/27/41/628442741.db2.gz XRQQIBQJDBWNEO-YHYXMXQVSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1cccc2c1CC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822341472 628442742 /nfs/dbraw/zinc/44/27/42/628442742.db2.gz XRQQIBQJDBWNEO-YHYXMXQVSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822341363 628442819 /nfs/dbraw/zinc/44/28/19/628442819.db2.gz WKMNCFPAPMHWHC-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822341363 628442821 /nfs/dbraw/zinc/44/28/21/628442821.db2.gz WKMNCFPAPMHWHC-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccsc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822378597 628445622 /nfs/dbraw/zinc/44/56/22/628445622.db2.gz BVURSVMSIJTDLM-XFXZXTDPSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccsc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822378597 628445625 /nfs/dbraw/zinc/44/56/25/628445625.db2.gz BVURSVMSIJTDLM-XFXZXTDPSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822379154 628445923 /nfs/dbraw/zinc/44/59/23/628445923.db2.gz LISBZKUJLJVPGA-NSCUHMNNSA-N -1 3 302.384 3.194 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822379154 628445925 /nfs/dbraw/zinc/44/59/25/628445925.db2.gz LISBZKUJLJVPGA-NSCUHMNNSA-N -1 3 302.384 3.194 20 30 DGEDHM N#Cc1ccc(F)cc1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822829688 628499824 /nfs/dbraw/zinc/49/98/24/628499824.db2.gz DTAGFKCYDPCBPS-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(F)cc1CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822829688 628499825 /nfs/dbraw/zinc/49/98/25/628499825.db2.gz DTAGFKCYDPCBPS-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1F ZINC000822923347 628509460 /nfs/dbraw/zinc/50/94/60/628509460.db2.gz QGWAIEFSGLPVOP-RQOWECAXSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1F ZINC000822923347 628509463 /nfs/dbraw/zinc/50/94/63/628509463.db2.gz QGWAIEFSGLPVOP-RQOWECAXSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc(F)ccc1F ZINC000822924122 628509928 /nfs/dbraw/zinc/50/99/28/628509928.db2.gz XZCBLOMXUVVPNZ-RQOWECAXSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc(F)ccc1F ZINC000822924122 628509930 /nfs/dbraw/zinc/50/99/30/628509930.db2.gz XZCBLOMXUVVPNZ-RQOWECAXSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc(F)cc(F)c1 ZINC000822924095 628510273 /nfs/dbraw/zinc/51/02/73/628510273.db2.gz XDWQRWVFROVQGK-OWOJBTEDSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc(F)cc(F)c1 ZINC000822924095 628510275 /nfs/dbraw/zinc/51/02/75/628510275.db2.gz XDWQRWVFROVQGK-OWOJBTEDSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(F)c1 ZINC000823504473 628570130 /nfs/dbraw/zinc/57/01/30/628570130.db2.gz QPBHXOXFJZPLKP-MDWZMJQESA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(F)c1 ZINC000823504473 628570132 /nfs/dbraw/zinc/57/01/32/628570132.db2.gz QPBHXOXFJZPLKP-MDWZMJQESA-N -1 3 320.327 3.218 20 30 DGEDHM C=C[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883161 628606953 /nfs/dbraw/zinc/60/69/53/628606953.db2.gz KBKICSUSUWIKSP-ZDUSSCGKSA-N -1 3 320.352 3.132 20 30 DGEDHM C=C[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883161 628606954 /nfs/dbraw/zinc/60/69/54/628606954.db2.gz KBKICSUSUWIKSP-ZDUSSCGKSA-N -1 3 320.352 3.132 20 30 DGEDHM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000823893964 628608026 /nfs/dbraw/zinc/60/80/26/628608026.db2.gz CNFGDRUFMQWDDA-GFCCVEGCSA-N -1 3 314.393 3.041 20 30 DGEDHM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000823893964 628608028 /nfs/dbraw/zinc/60/80/28/628608028.db2.gz CNFGDRUFMQWDDA-GFCCVEGCSA-N -1 3 314.393 3.041 20 30 DGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccsc1 ZINC000823958147 628613551 /nfs/dbraw/zinc/61/35/51/628613551.db2.gz FCTLIVJTJMJBHZ-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccsc1 ZINC000823958147 628613552 /nfs/dbraw/zinc/61/35/52/628613552.db2.gz FCTLIVJTJMJBHZ-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000823958591 628614019 /nfs/dbraw/zinc/61/40/19/628614019.db2.gz RQCLYURHWBTETO-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000823958591 628614021 /nfs/dbraw/zinc/61/40/21/628614021.db2.gz RQCLYURHWBTETO-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM CC(C)CCC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824400929 628657666 /nfs/dbraw/zinc/65/76/66/628657666.db2.gz MWZMYBGSEAIZJH-UHFFFAOYSA-N -1 3 307.789 3.139 20 30 DGEDHM CC(C)CCC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824400929 628657667 /nfs/dbraw/zinc/65/76/67/628657667.db2.gz MWZMYBGSEAIZJH-UHFFFAOYSA-N -1 3 307.789 3.139 20 30 DGEDHM C[C@H](SCc1ccnc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757204 628689895 /nfs/dbraw/zinc/68/98/95/628689895.db2.gz UKZCVMFHMGVCOV-NSHDSACASA-N -1 3 322.397 3.128 20 30 DGEDHM C[C@H](SCc1ccnc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757204 628689897 /nfs/dbraw/zinc/68/98/97/628689897.db2.gz UKZCVMFHMGVCOV-NSHDSACASA-N -1 3 322.397 3.128 20 30 DGEDHM C[C@@H](C#N)CN(Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824913463 628705773 /nfs/dbraw/zinc/70/57/73/628705773.db2.gz UCRGMYNAGBNTAZ-JTQLQIEISA-N -1 3 309.207 3.279 20 30 DGEDHM C[C@@H]1CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@H]1C ZINC000824925465 628707168 /nfs/dbraw/zinc/70/71/68/628707168.db2.gz CXWGQECSWLBWPJ-BDAKNGLRSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@H]1C ZINC000824925465 628707171 /nfs/dbraw/zinc/70/71/71/628707171.db2.gz CXWGQECSWLBWPJ-BDAKNGLRSA-N -1 3 319.800 3.139 20 30 DGEDHM CCCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)CCC ZINC000825221304 628739104 /nfs/dbraw/zinc/73/91/04/628739104.db2.gz ZOQYMCHCAWOTAH-UHFFFAOYSA-N -1 3 324.388 3.203 20 30 DGEDHM CCCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)CCC ZINC000825221304 628739107 /nfs/dbraw/zinc/73/91/07/628739107.db2.gz ZOQYMCHCAWOTAH-UHFFFAOYSA-N -1 3 324.388 3.203 20 30 DGEDHM CCCCC(COC)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825261277 628743560 /nfs/dbraw/zinc/74/35/60/628743560.db2.gz VVWVLMZFMVNXGZ-UHFFFAOYSA-N -1 3 322.800 3.125 20 30 DGEDHM CCCCC(COC)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825261277 628743561 /nfs/dbraw/zinc/74/35/61/628743561.db2.gz VVWVLMZFMVNXGZ-UHFFFAOYSA-N -1 3 322.800 3.125 20 30 DGEDHM CCCCCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825271836 628745817 /nfs/dbraw/zinc/74/58/17/628745817.db2.gz OWBZRXROOUIPSU-UHFFFAOYSA-N -1 3 318.425 3.017 20 30 DGEDHM CCCCCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825271836 628745821 /nfs/dbraw/zinc/74/58/21/628745821.db2.gz OWBZRXROOUIPSU-UHFFFAOYSA-N -1 3 318.425 3.017 20 30 DGEDHM CC1(C#N)CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825468119 628764488 /nfs/dbraw/zinc/76/44/88/628764488.db2.gz GBLLOSUGRCVBBB-UHFFFAOYSA-N -1 3 309.207 3.280 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C ZINC000826281363 628837693 /nfs/dbraw/zinc/83/76/93/628837693.db2.gz OIDOXJGITBWSAL-MDZDMXLPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C ZINC000826281363 628837697 /nfs/dbraw/zinc/83/76/97/628837697.db2.gz OIDOXJGITBWSAL-MDZDMXLPSA-N -1 3 304.353 3.380 20 30 DGEDHM N#Cc1ccccc1SCc1cccc(-c2nnn[n-]2)c1F ZINC000826387419 628850583 /nfs/dbraw/zinc/85/05/83/628850583.db2.gz UOHNBLBPMXQQAR-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1cccc(-c2nn[n-]n2)c1F ZINC000826387419 628850586 /nfs/dbraw/zinc/85/05/86/628850586.db2.gz UOHNBLBPMXQQAR-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400798 628851061 /nfs/dbraw/zinc/85/10/61/628851061.db2.gz INIWYILLKTWAIU-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400798 628851065 /nfs/dbraw/zinc/85/10/65/628851065.db2.gz INIWYILLKTWAIU-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400692 628851111 /nfs/dbraw/zinc/85/11/11/628851111.db2.gz FJOUCTJUNZNNKB-DAXSKMNVSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400692 628851115 /nfs/dbraw/zinc/85/11/15/628851115.db2.gz FJOUCTJUNZNNKB-DAXSKMNVSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=CC=Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826400265 628851361 /nfs/dbraw/zinc/85/13/61/628851361.db2.gz UKJXTRVKUFRVPD-BQJQTIKASA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=CC=Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826400265 628851364 /nfs/dbraw/zinc/85/13/64/628851364.db2.gz UKJXTRVKUFRVPD-BQJQTIKASA-N -1 3 320.327 3.458 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475591 628852899 /nfs/dbraw/zinc/85/28/99/628852899.db2.gz KQCYZFYYAJDPGG-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475591 628852902 /nfs/dbraw/zinc/85/29/02/628852902.db2.gz KQCYZFYYAJDPGG-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829532643 629166799 /nfs/dbraw/zinc/16/67/99/629166799.db2.gz XTSDDVGAYKPJLR-SFHVURJKSA-N -1 3 324.380 3.263 20 30 DGEDHM CCN(CC)c1ccc(/C=[NH+]/CC2(C(=O)[O-])CCCC2)c([O-])c1 ZINC000829683753 629182123 /nfs/dbraw/zinc/18/21/23/629182123.db2.gz CPTIUUAXYQZMSP-XDHOZWIPSA-N -1 3 318.417 3.302 20 30 DGEDHM CCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830063847 629221284 /nfs/dbraw/zinc/22/12/84/629221284.db2.gz KDMFMPSEDRWJSC-SCLBCKFNSA-N -1 3 324.380 3.433 20 30 DGEDHM CCCCCCCC[C@@H](C)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000832010438 629435358 /nfs/dbraw/zinc/43/53/58/629435358.db2.gz MRFNSMIXORXCNB-CQSZACIVSA-N -1 3 319.449 3.454 20 30 DGEDHM COc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832532572 629494361 /nfs/dbraw/zinc/49/43/61/629494361.db2.gz CYAKXCQFKOZTHA-YVEFUNNKSA-N -1 3 310.353 3.043 20 30 DGEDHM C#CC[C@H](NCc1ccc(O[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000833360994 629591538 /nfs/dbraw/zinc/59/15/38/629591538.db2.gz UZNFIOHFBAHSRU-BEFAXECRSA-N -1 3 323.392 3.393 20 30 DGEDHM C=C(C)COCCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833369389 629593196 /nfs/dbraw/zinc/59/31/96/629593196.db2.gz UNRZLVILHURTFL-CYBMUJFWSA-N -1 3 318.200 3.301 20 30 DGEDHM CCS[C@H]1CC[C@H](N(C)Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833667863 629638472 /nfs/dbraw/zinc/63/84/72/629638472.db2.gz NAVBRFHGRJEKMQ-KBPBESRZSA-N -1 3 318.442 3.362 20 30 DGEDHM O=C([O-])c1ccc(NNC2=C[C@@H](C(F)(F)F)OCC2)c(F)c1 ZINC000835009403 629821608 /nfs/dbraw/zinc/82/16/08/629821608.db2.gz VHKJXUYSHYHWIS-NSHDSACASA-N -1 3 320.242 3.033 20 30 DGEDHM C[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])CS1 ZINC000840711510 630350826 /nfs/dbraw/zinc/35/08/26/630350826.db2.gz RHLUOSWNYVUPHE-LRJNUQEHSA-N -1 3 300.221 3.468 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccnn2CC(C)C)ccc1[O-] ZINC000843269143 630639325 /nfs/dbraw/zinc/63/93/25/630639325.db2.gz OIXSNABNWISKSK-FNORWQNLSA-N -1 3 300.358 3.149 20 30 DGEDHM Cn1c(=O)ccc2c1CCC[C@H]2/N=C/c1cc(Cl)ccc1[O-] ZINC000844272817 630715073 /nfs/dbraw/zinc/71/50/73/630715073.db2.gz YRTVVQRRRXTNPS-LEBHLANCSA-N -1 3 316.788 3.241 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000844489022 630734207 /nfs/dbraw/zinc/73/42/07/630734207.db2.gz GYWFEBKDDDDWBW-VXGBXAGGSA-N -1 3 324.450 3.003 20 30 DGEDHM C=C(C)CC[C@@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000845872215 631199870 /nfs/dbraw/zinc/19/98/70/631199870.db2.gz DURCJBNESJSLFE-GFCCVEGCSA-N -1 3 316.401 3.496 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1cc(Br)cs1 ZINC000846538588 631257435 /nfs/dbraw/zinc/25/74/35/631257435.db2.gz KCYBMXZIJBVQSE-UHFFFAOYSA-N -1 3 304.209 3.067 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000846545645 631258257 /nfs/dbraw/zinc/25/82/57/631258257.db2.gz YEAXSQLEJPGBJQ-JTQLQIEISA-N -1 3 322.311 3.175 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000846550987 631258700 /nfs/dbraw/zinc/25/87/00/631258700.db2.gz PMKBENFAQCLGBZ-SNVBAGLBSA-N -1 3 303.280 3.140 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cc2n(n1)CCCC2 ZINC000848639411 631715756 /nfs/dbraw/zinc/71/57/56/631715756.db2.gz TYLCQKHOIWSLIY-QQMDNXKGSA-N -1 3 312.344 3.448 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(C2CCC2)nn1 ZINC000849243890 631862293 /nfs/dbraw/zinc/86/22/93/631862293.db2.gz OTUQBWQWADNUEC-SZUMLMDFSA-N -1 3 313.332 3.231 20 30 DGEDHM COC(=O)c1ccc([O-])c([C@@H](C)NCC2(C#N)CCCCC2)c1 ZINC000850549947 632190071 /nfs/dbraw/zinc/19/00/71/632190071.db2.gz MIUJTGHCHGVJBR-CYBMUJFWSA-N -1 3 316.401 3.303 20 30 DGEDHM C=CC[C@H]1CCCC[C@H]1OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000851142861 632322089 /nfs/dbraw/zinc/32/20/89/632322089.db2.gz ZRYBRXJCNBPNOW-DZGCQCFKSA-N -1 3 304.390 3.020 20 30 DGEDHM COC(=O)c1cc(NN=C(C)c2ccc([O-])c(F)c2)ccc1C ZINC000793089378 661004303 /nfs/dbraw/zinc/00/43/03/661004303.db2.gz IOPANAMYKNNTLG-UHFFFAOYSA-N -1 3 316.332 3.462 20 30 DGEDHM CCCN(CCC)c1ccc(C=NN[C@H](CC)C(=O)[O-])cc1 ZINC000793072787 661003312 /nfs/dbraw/zinc/00/33/12/661003312.db2.gz WONFHRYXMROBRH-MRXNPFEDSA-N -1 3 305.422 3.100 20 30 DGEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1c(F)ccc([O-])c1F ZINC000794502504 661088052 /nfs/dbraw/zinc/08/80/52/661088052.db2.gz PXPPTEMAKAJKSN-UHFFFAOYSA-N -1 3 307.256 3.333 20 30 DGEDHM CC(=NNCc1ccccc1N(C)C)c1cc(F)ccc1[O-] ZINC000794952697 661116382 /nfs/dbraw/zinc/11/63/82/661116382.db2.gz SXOWJHREXBBVOY-UHFFFAOYSA-N -1 3 301.365 3.111 20 30 DGEDHM [O-]c1ccc(CN=Nc2ncccc2F)cc1Br ZINC000794990738 661119667 /nfs/dbraw/zinc/11/96/67/661119667.db2.gz ORZUCLJWJVOUSO-UHFFFAOYSA-N -1 3 310.126 3.135 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cnn(C(C)C)c2)c(OC)cc1[O-] ZINC000255216346 655655180 /nfs/dbraw/zinc/65/51/80/655655180.db2.gz FSDHPGJVOQKJBY-WAYWQWQTSA-N -1 3 316.357 3.083 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc3c(c2)CCN3C)ccc1[O-] ZINC000255456043 655754294 /nfs/dbraw/zinc/75/42/94/655754294.db2.gz SLXFGIBGSPOGQQ-DAXSKMNVSA-N -1 3 309.365 3.289 20 30 DGEDHM CCC(CC)[C@H](O)C/N=C\c1cc(Br)ccc1[O-] ZINC000255567977 655803842 /nfs/dbraw/zinc/80/38/42/655803842.db2.gz MZRWIIMIJPJAOJ-MEFZMRIGSA-N -1 3 314.223 3.371 20 30 DGEDHM C=CCCC[C@@H](C)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000935252078 655857497 /nfs/dbraw/zinc/85/74/97/655857497.db2.gz RRJUGRBQHGDQDN-SNVBAGLBSA-N -1 3 320.339 3.281 20 30 DGEDHM C#C[C@H](CCC)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000935625298 655944666 /nfs/dbraw/zinc/94/46/66/655944666.db2.gz XOVRYRYBSILJMD-LLVKDONJSA-N -1 3 300.736 3.053 20 30 DGEDHM C#CC1CCN(C(=O)c2ccc(OCCCC)cc2[O-])CC1 ZINC000844047912 661237674 /nfs/dbraw/zinc/23/76/74/661237674.db2.gz YIIWHGZNZHSKKH-UHFFFAOYSA-N -1 3 301.386 3.057 20 30 DGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000128381656 658736798 /nfs/dbraw/zinc/73/67/98/658736798.db2.gz UIFPIBBNZYLTMN-MRXNPFEDSA-N -1 3 310.353 3.420 20 30 DGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccoc1 ZINC000128745702 658783781 /nfs/dbraw/zinc/78/37/81/658783781.db2.gz XSUVSLGTPFZQFM-HNNXBMFYSA-N -1 3 304.305 3.394 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H](O)c1ccccc1 ZINC000049214184 661899999 /nfs/dbraw/zinc/89/99/99/661899999.db2.gz VHYCEMPPRJUXIG-ZUZCKIMGSA-N -1 3 320.186 3.307 20 30 DGEDHM O=C1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])CN1c1ccccc1 ZINC000194992448 662176674 /nfs/dbraw/zinc/17/66/74/662176674.db2.gz AGRJQKXKTCRILZ-LEBHLANCSA-N -1 3 314.772 3.270 20 30 DGEDHM CCCCCCCC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001577505363 1191906251 /nfs/dbraw/zinc/90/62/51/1191906251.db2.gz JQJKIOIOZVORGJ-UHFFFAOYSA-N -1 3 305.357 3.305 20 30 DGEDHM CCCCCCCC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001577505363 1191906255 /nfs/dbraw/zinc/90/62/55/1191906255.db2.gz JQJKIOIOZVORGJ-UHFFFAOYSA-N -1 3 305.357 3.305 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCCCCCNC(=O)OC(C)(C)C ZINC001583409272 1192145445 /nfs/dbraw/zinc/14/54/45/1192145445.db2.gz XXZYFAAWZDUERM-ZDUSSCGKSA-N -1 3 314.426 3.084 20 30 DGEDHM C#CC[C@@H](Nc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001588334080 1192444662 /nfs/dbraw/zinc/44/46/62/1192444662.db2.gz NMLSSQNDAYYDIV-OAHLLOKOSA-N -1 3 307.332 3.182 20 30 DGEDHM C#CC[C@@H](Nc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001588334080 1192444732 /nfs/dbraw/zinc/44/47/32/1192444732.db2.gz NMLSSQNDAYYDIV-OAHLLOKOSA-N -1 3 307.332 3.182 20 30 DGEDHM C=CCCCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588594554 1192450999 /nfs/dbraw/zinc/45/09/99/1192450999.db2.gz WDJKRYFKIREGST-UHFFFAOYSA-N -1 3 314.393 3.125 20 30 DGEDHM C=CCCCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588594554 1192451001 /nfs/dbraw/zinc/45/10/01/1192451001.db2.gz WDJKRYFKIREGST-UHFFFAOYSA-N -1 3 314.393 3.125 20 30 DGEDHM C=CCN(CC1CCCCC1)c1cc(-c2nnn[n-]2)cc(C)n1 ZINC001588628032 1192451731 /nfs/dbraw/zinc/45/17/31/1192451731.db2.gz OKQHEYVTCAFMSJ-UHFFFAOYSA-N -1 3 312.421 3.143 20 30 DGEDHM C=CCN(CC1CCCCC1)c1cc(-c2nn[n-]n2)cc(C)n1 ZINC001588628032 1192451735 /nfs/dbraw/zinc/45/17/35/1192451735.db2.gz OKQHEYVTCAFMSJ-UHFFFAOYSA-N -1 3 312.421 3.143 20 30 DGEDHM C=CCCCNc1cccc(Br)c1-c1nnn[n-]1 ZINC001588601214 1192451821 /nfs/dbraw/zinc/45/18/21/1192451821.db2.gz ZFICOPXJQRXMRZ-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=CCCCNc1cccc(Br)c1-c1nn[n-]n1 ZINC001588601214 1192451823 /nfs/dbraw/zinc/45/18/23/1192451823.db2.gz ZFICOPXJQRXMRZ-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=CCSCCNc1cccc(C(F)F)c1-c1nnn[n-]1 ZINC001588694330 1192453110 /nfs/dbraw/zinc/45/31/10/1192453110.db2.gz IAXRKPJJKFLGKJ-UHFFFAOYSA-N -1 3 311.361 3.135 20 30 DGEDHM C=CCSCCNc1cccc(C(F)F)c1-c1nn[n-]n1 ZINC001588694330 1192453113 /nfs/dbraw/zinc/45/31/13/1192453113.db2.gz IAXRKPJJKFLGKJ-UHFFFAOYSA-N -1 3 311.361 3.135 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC2 ZINC001588780536 1192453534 /nfs/dbraw/zinc/45/35/34/1192453534.db2.gz DNMMMVDIUPFUHR-UHFFFAOYSA-N -1 3 318.384 3.192 20 30 DGEDHM CC(C)(C#N)CCCCN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001589034130 1192456376 /nfs/dbraw/zinc/45/63/76/1192456376.db2.gz ROHPGVFXYMKIJX-UHFFFAOYSA-N -1 3 324.432 3.339 20 30 DGEDHM CC(CC(F)(F)F)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589799017 1192474697 /nfs/dbraw/zinc/47/46/97/1192474697.db2.gz PLBOHUTXMNICJN-UHFFFAOYSA-N -1 3 318.690 3.260 20 30 DGEDHM CC(CC(F)(F)F)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589799017 1192474698 /nfs/dbraw/zinc/47/46/98/1192474698.db2.gz PLBOHUTXMNICJN-UHFFFAOYSA-N -1 3 318.690 3.260 20 30 DGEDHM Cc1ccc(CC(C)N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001589896625 1192477015 /nfs/dbraw/zinc/47/70/15/1192477015.db2.gz JHICMUMBFIMEPM-UHFFFAOYSA-N -1 3 306.373 3.206 20 30 DGEDHM Cc1ccc(CC(C)N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001589896625 1192477017 /nfs/dbraw/zinc/47/70/17/1192477017.db2.gz JHICMUMBFIMEPM-UHFFFAOYSA-N -1 3 306.373 3.206 20 30 DGEDHM C[C@H](Nc1cc(F)ccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589979901 1192479599 /nfs/dbraw/zinc/47/95/99/1192479599.db2.gz BWCMNOUDWZXESY-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1cc(F)ccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589979901 1192479601 /nfs/dbraw/zinc/47/96/01/1192479601.db2.gz BWCMNOUDWZXESY-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM CCCCCCCNC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001590592145 1192529006 /nfs/dbraw/zinc/52/90/06/1192529006.db2.gz DYTJNDGJICGUPT-UHFFFAOYSA-N -1 3 322.438 3.329 20 30 DGEDHM CCCCCCCNC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001590592145 1192529010 /nfs/dbraw/zinc/52/90/10/1192529010.db2.gz DYTJNDGJICGUPT-UHFFFAOYSA-N -1 3 322.438 3.329 20 30 DGEDHM CCOc1cccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001590841703 1192546547 /nfs/dbraw/zinc/54/65/47/1192546547.db2.gz XGGHVWOWBIROGB-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CCc1cccc(F)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590894691 1192555122 /nfs/dbraw/zinc/55/51/22/1192555122.db2.gz NEVPDDFYJWIXOB-KHPPLWFESA-N -1 3 322.343 3.464 20 30 DGEDHM CCc1cccc(F)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590894691 1192555126 /nfs/dbraw/zinc/55/51/26/1192555126.db2.gz NEVPDDFYJWIXOB-KHPPLWFESA-N -1 3 322.343 3.464 20 30 DGEDHM COc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)c1 ZINC001591632313 1192569179 /nfs/dbraw/zinc/56/91/79/1192569179.db2.gz MVCOTJKGCYAORL-VQHVLOKHSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)c1 ZINC001591632313 1192569182 /nfs/dbraw/zinc/56/91/82/1192569182.db2.gz MVCOTJKGCYAORL-VQHVLOKHSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CSc1ccncc1C#N ZINC001591850015 1192574620 /nfs/dbraw/zinc/57/46/20/1192574620.db2.gz AKPWQNLTSLPMQJ-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CSc1ccncc1C#N ZINC001591850015 1192574624 /nfs/dbraw/zinc/57/46/24/1192574624.db2.gz AKPWQNLTSLPMQJ-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2cccc(C#N)c2)n1 ZINC001591944372 1192581963 /nfs/dbraw/zinc/58/19/63/1192581963.db2.gz IWCHCYQSRPPTGT-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2cccc(C#N)c2)n1 ZINC001591944372 1192581966 /nfs/dbraw/zinc/58/19/66/1192581966.db2.gz IWCHCYQSRPPTGT-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(Oc2cc(C)c(-c3nnn[n-]3)cn2)c(C)c(C)c1C#N ZINC001592062936 1192590933 /nfs/dbraw/zinc/59/09/33/1192590933.db2.gz QQESJKRGVVRGNX-UHFFFAOYSA-N -1 3 320.356 3.159 20 30 DGEDHM Cc1cc(Oc2cc(C)c(-c3nn[n-]n3)cn2)c(C)c(C)c1C#N ZINC001592062936 1192590937 /nfs/dbraw/zinc/59/09/37/1192590937.db2.gz QQESJKRGVVRGNX-UHFFFAOYSA-N -1 3 320.356 3.159 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001592115301 1192594365 /nfs/dbraw/zinc/59/43/65/1192594365.db2.gz ALRZJQQNMPLZNN-UXBLZVDNSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001592115301 1192594372 /nfs/dbraw/zinc/59/43/72/1192594372.db2.gz ALRZJQQNMPLZNN-UXBLZVDNSA-N -1 3 304.353 3.380 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc2occc2c1 ZINC001592699963 1192627269 /nfs/dbraw/zinc/62/72/69/1192627269.db2.gz UTMMGSLCLILEBP-UHFFFAOYSA-N -1 3 316.324 3.097 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc2occc2c1 ZINC001592699963 1192627271 /nfs/dbraw/zinc/62/72/71/1192627271.db2.gz UTMMGSLCLILEBP-UHFFFAOYSA-N -1 3 316.324 3.097 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1(C2CCC2)CCC1 ZINC001592699401 1192626990 /nfs/dbraw/zinc/62/69/90/1192626990.db2.gz YOIWJNQRKWKSHL-UHFFFAOYSA-N -1 3 308.389 3.121 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1(C2CCC2)CCC1 ZINC001592699401 1192626993 /nfs/dbraw/zinc/62/69/93/1192626993.db2.gz YOIWJNQRKWKSHL-UHFFFAOYSA-N -1 3 308.389 3.121 20 30 DGEDHM Cc1ccc([C@H](NCc2ccc(F)c(C#N)c2)C(=O)[O-])cc1C ZINC001600383940 1192840141 /nfs/dbraw/zinc/84/01/41/1192840141.db2.gz BYCBSYZGBUCVBX-KRWDZBQOSA-N -1 3 312.344 3.230 20 30 DGEDHM Cc1scc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC001600890219 1192908868 /nfs/dbraw/zinc/90/88/68/1192908868.db2.gz OSBRUWNKKOJMEW-HNNXBMFYSA-N -1 3 300.383 3.152 20 30 DGEDHM N#Cc1c(CN2CC[C@@H](c3ccc(F)cc3)C2)cccc1C(=O)[O-] ZINC001601081647 1192916530 /nfs/dbraw/zinc/91/65/30/1192916530.db2.gz OFRVCHRXZTUQKS-CQSZACIVSA-N -1 3 324.355 3.385 20 30 DGEDHM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1)c1cccc(F)n1 ZINC001342562506 1179153795 /nfs/dbraw/zinc/15/37/95/1179153795.db2.gz PBXCNPCCJRGCJV-LBPRGKRZSA-N -1 3 324.290 3.036 20 30 DGEDHM C=CC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001602811410 1192998138 /nfs/dbraw/zinc/99/81/38/1192998138.db2.gz LUJKBTMAMSETNG-QMMMGPOBSA-N -1 3 308.183 3.006 20 30 DGEDHM C=CC[C@H](C)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001602811410 1192998142 /nfs/dbraw/zinc/99/81/42/1192998142.db2.gz LUJKBTMAMSETNG-QMMMGPOBSA-N -1 3 308.183 3.006 20 30 DGEDHM C=C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001602803275 1192998344 /nfs/dbraw/zinc/99/83/44/1192998344.db2.gz KAGNXFOGQSUFRW-GFCCVEGCSA-N -1 3 312.354 3.012 20 30 DGEDHM C=C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001602803275 1192998347 /nfs/dbraw/zinc/99/83/47/1192998347.db2.gz KAGNXFOGQSUFRW-GFCCVEGCSA-N -1 3 312.354 3.012 20 30 DGEDHM C=CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001602818424 1192998944 /nfs/dbraw/zinc/99/89/44/1192998944.db2.gz QYLUVVZUQFOJFV-UHFFFAOYSA-N -1 3 318.402 3.108 20 30 DGEDHM C=CCCOC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001602841411 1192999663 /nfs/dbraw/zinc/99/96/63/1192999663.db2.gz WTKXUPOMIPUINQ-UHFFFAOYSA-N -1 3 314.370 3.123 20 30 DGEDHM C=CCCOC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001602841411 1192999664 /nfs/dbraw/zinc/99/96/64/1192999664.db2.gz WTKXUPOMIPUINQ-UHFFFAOYSA-N -1 3 314.370 3.123 20 30 DGEDHM C=CCCCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001602874953 1193001141 /nfs/dbraw/zinc/00/11/41/1193001141.db2.gz LOUZFDOXLSHDNV-MRXNPFEDSA-N -1 3 322.836 3.050 20 30 DGEDHM CC(=NNc1c(C)cccc1F)c1ccccc1-c1nnn[n-]1 ZINC001602908482 1193001855 /nfs/dbraw/zinc/00/18/55/1193001855.db2.gz XZJJEUHGAJKGCR-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1c(C)cccc1F)c1ccccc1-c1nn[n-]n1 ZINC001602908482 1193001860 /nfs/dbraw/zinc/00/18/60/1193001860.db2.gz XZJJEUHGAJKGCR-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(C)(C#N)c1ccc(CNCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001603230306 1193011463 /nfs/dbraw/zinc/01/14/63/1193011463.db2.gz JCMRIIFHWNHFNY-UHFFFAOYSA-N -1 3 322.408 3.405 20 30 DGEDHM C[C@H](Oc1ccc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001603711960 1193026840 /nfs/dbraw/zinc/02/68/40/1193026840.db2.gz VKDGXNXTUXWPRA-JTQLQIEISA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@H](Oc1ccc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001603711960 1193026841 /nfs/dbraw/zinc/02/68/41/1193026841.db2.gz VKDGXNXTUXWPRA-JTQLQIEISA-N -1 3 309.304 3.017 20 30 DGEDHM CC(C)(NCc1csc(C(=O)[O-])c1)c1cccc(C#N)c1 ZINC001603682346 1193025838 /nfs/dbraw/zinc/02/58/38/1193025838.db2.gz ZABURZXWVHEHPP-UHFFFAOYSA-N -1 3 300.383 3.343 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]1C ZINC001603839214 1193034677 /nfs/dbraw/zinc/03/46/77/1193034677.db2.gz FRSCNDCJOWBVLF-HTQZYQBOSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]1C ZINC001603839214 1193034679 /nfs/dbraw/zinc/03/46/79/1193034679.db2.gz FRSCNDCJOWBVLF-HTQZYQBOSA-N -1 3 324.310 3.329 20 30 DGEDHM CC[C@H]1c2ccccc2CN1c1c(C#N)cccc1-c1nnn[n-]1 ZINC001604115252 1193051979 /nfs/dbraw/zinc/05/19/79/1193051979.db2.gz DIBBQIKNGLDIIM-INIZCTEOSA-N -1 3 316.368 3.210 20 30 DGEDHM CC[C@H]1c2ccccc2CN1c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604115252 1193051982 /nfs/dbraw/zinc/05/19/82/1193051982.db2.gz DIBBQIKNGLDIIM-INIZCTEOSA-N -1 3 316.368 3.210 20 30 DGEDHM CCCCCCCC(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001604175477 1193057770 /nfs/dbraw/zinc/05/77/70/1193057770.db2.gz IRRQMRQRKSMFIN-UHFFFAOYSA-N -1 3 313.405 3.116 20 30 DGEDHM CCCCCCCC(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001604175477 1193057774 /nfs/dbraw/zinc/05/77/74/1193057774.db2.gz IRRQMRQRKSMFIN-UHFFFAOYSA-N -1 3 313.405 3.116 20 30 DGEDHM CCCCCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604176380 1193058919 /nfs/dbraw/zinc/05/89/19/1193058919.db2.gz POAOHLKKPNUAFC-UHFFFAOYSA-N -1 3 304.354 3.157 20 30 DGEDHM CCCCCCCNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604176380 1193058921 /nfs/dbraw/zinc/05/89/21/1193058921.db2.gz POAOHLKKPNUAFC-UHFFFAOYSA-N -1 3 304.354 3.157 20 30 DGEDHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1CC#Cc1cccc(Cl)c1 ZINC001604653950 1193086079 /nfs/dbraw/zinc/08/60/79/1193086079.db2.gz CFRODHHJNIRJHL-STQMWFEESA-N -1 3 305.805 3.265 20 30 DGEDHM CCCc1ccc2nccc(N3CCC(C#N)(C(=O)[O-])CC3)c2c1 ZINC001605377218 1193144834 /nfs/dbraw/zinc/14/48/34/1193144834.db2.gz ZPPPCUJLBBMDDZ-UHFFFAOYSA-N -1 3 323.396 3.382 20 30 DGEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCC2(C#N)CCCC2)n1 ZINC001605637349 1193161997 /nfs/dbraw/zinc/16/19/97/1193161997.db2.gz ORLHVAZEUNNRRV-UHFFFAOYSA-N -1 3 314.418 3.055 20 30 DGEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCC2(C#N)CCCC2)n1 ZINC001605637349 1193161998 /nfs/dbraw/zinc/16/19/98/1193161998.db2.gz ORLHVAZEUNNRRV-UHFFFAOYSA-N -1 3 314.418 3.055 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1CCCCN1C(=O)CC(C)C ZINC001458012653 1182489767 /nfs/dbraw/zinc/48/97/67/1182489767.db2.gz WCHGSFHNADWUKA-OAHLLOKOSA-N -1 3 312.454 3.212 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C(=O)OCC)c1ccccc1 ZINC001458009139 1182489952 /nfs/dbraw/zinc/48/99/52/1182489952.db2.gz CVYGNWGJTXREKZ-HNNXBMFYSA-N -1 3 307.390 3.131 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCCN1C(=O)CC(C)C ZINC001458012648 1182490337 /nfs/dbraw/zinc/49/03/37/1182490337.db2.gz WCHGSFHNADWUKA-HNNXBMFYSA-N -1 3 312.454 3.212 20 30 DGEDHM CO[C@H](C(=O)N([O-])CCCCc1ccccc1)C1CCCC1 ZINC001458007517 1182490441 /nfs/dbraw/zinc/49/04/41/1182490441.db2.gz JMMSTMJVVYJMIF-KRWDZBQOSA-N -1 3 305.418 3.432 20 30 DGEDHM C=CC[C@@H]1CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001462416931 1182949026 /nfs/dbraw/zinc/94/90/26/1182949026.db2.gz UEQKHWBIBLWCMX-LLVKDONJSA-N -1 3 311.223 3.338 20 30 DGEDHM O=C1c2ccccc2CCCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001607036794 1193210218 /nfs/dbraw/zinc/21/02/18/1193210218.db2.gz MYNFVAVCVWHTGU-VBKFSLOCSA-N -1 3 316.364 3.469 20 30 DGEDHM O=C1c2ccccc2CCCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001607036794 1193210221 /nfs/dbraw/zinc/21/02/21/1193210221.db2.gz MYNFVAVCVWHTGU-VBKFSLOCSA-N -1 3 316.364 3.469 20 30 DGEDHM O=C(c1cc(F)c[nH]1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472617384 1183657230 /nfs/dbraw/zinc/65/72/30/1183657230.db2.gz CNZAUAWFWUUMEG-UHFFFAOYSA-N -1 3 303.120 3.492 20 30 DGEDHM CCCCN([O-])C(=O)c1cn(C(C)(C)C)nc1Br ZINC001472620947 1183657280 /nfs/dbraw/zinc/65/72/80/1183657280.db2.gz ZLQXYNGSUKRANC-UHFFFAOYSA-N -1 3 318.215 3.032 20 30 DGEDHM CCCCN([O-])C(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC001472620954 1183657322 /nfs/dbraw/zinc/65/73/22/1183657322.db2.gz ZXTGNOYWYZPBQI-UHFFFAOYSA-N -1 3 305.765 3.429 20 30 DGEDHM C=C(C)C[C@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OCC ZINC001474686577 1183961696 /nfs/dbraw/zinc/96/16/96/1183961696.db2.gz ZXVGRIUVAJSDGT-AWEZNQCLSA-N -1 3 311.809 3.342 20 30 DGEDHM C=CC(C)(C)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001475769493 1184016681 /nfs/dbraw/zinc/01/66/81/1184016681.db2.gz IXHRQPCUPWTUGJ-UHFFFAOYSA-N -1 3 316.835 3.193 20 30 DGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC001609056675 1193322939 /nfs/dbraw/zinc/32/29/39/1193322939.db2.gz CNMBWKUGCMMPLD-UHFFFAOYSA-N -1 3 323.375 3.194 20 30 DGEDHM C#CC[C@H](NCc1c(Cl)cccc1SC(C)C)C(=O)[O-] ZINC001609089522 1193324043 /nfs/dbraw/zinc/32/40/43/1193324043.db2.gz ONSKSEGEKNDOMF-ZDUSSCGKSA-N -1 3 311.834 3.407 20 30 DGEDHM C=C[C@@H](N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)[O-] ZINC001609267482 1193333042 /nfs/dbraw/zinc/33/30/42/1193333042.db2.gz WLSQNOWOUZGPEW-GDBMZVCRSA-N -1 3 316.788 3.248 20 30 DGEDHM C=C(C)[C@@H](NC[C@@H]1CC(C(=O)[O-])=C(C)O1)c1ccc(F)c(F)c1 ZINC001609226439 1193332344 /nfs/dbraw/zinc/33/23/44/1193332344.db2.gz OXQGKQWDQDDRBO-BLLLJJGKSA-N -1 3 323.339 3.319 20 30 DGEDHM C[S@@](=O)c1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001654813821 1195842435 /nfs/dbraw/zinc/84/24/35/1195842435.db2.gz CXHZNKDKYSEEEH-OAQYLSRUSA-N -1 3 323.801 3.109 20 30 DGEDHM C=C[C@H](NCc1ccccc1Oc1cccc(F)c1)C(=O)[O-] ZINC001609272358 1193333084 /nfs/dbraw/zinc/33/30/84/1193333084.db2.gz NWGHXXQDVJVMNP-HNNXBMFYSA-N -1 3 301.317 3.347 20 30 DGEDHM Clc1cc(N=NC2CCC[C@@H]3C[C@@H]32)ccc1-c1nnn[n-]1 ZINC001609472802 1193340743 /nfs/dbraw/zinc/34/07/43/1193340743.db2.gz PJIIMRYJMDFMQO-KCJUWKMLSA-N -1 3 302.769 3.108 20 30 DGEDHM Clc1cc(N=NC2CCC[C@@H]3C[C@@H]32)ccc1-c1nn[n-]n1 ZINC001609472802 1193340744 /nfs/dbraw/zinc/34/07/44/1193340744.db2.gz PJIIMRYJMDFMQO-KCJUWKMLSA-N -1 3 302.769 3.108 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC001611658120 1193439134 /nfs/dbraw/zinc/43/91/34/1193439134.db2.gz VTFYXMOPWOXZCW-UHFFFAOYSA-N -1 3 307.390 3.202 20 30 DGEDHM O=C(c1ncc2ccccn21)N([O-])CCCCc1ccccc1 ZINC001611653522 1193439245 /nfs/dbraw/zinc/43/92/45/1193439245.db2.gz WCIPYFNMAALMST-UHFFFAOYSA-N -1 3 309.369 3.189 20 30 DGEDHM C=CCN(C(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC001524507724 1187245990 /nfs/dbraw/zinc/24/59/90/1187245990.db2.gz CBPVQZVKQXMKMF-UHFFFAOYSA-N -1 3 304.349 3.361 20 30 DGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccccc1 ZINC001557178479 1189047096 /nfs/dbraw/zinc/04/70/96/1189047096.db2.gz ODRPAEGJLOZXBO-MRXNPFEDSA-N -1 3 310.303 3.141 20 30 DGEDHM N#Cc1ccc2nc(NC(=O)c3cc(Cl)ccc3[O-])[nH]c2c1 ZINC001557762727 1189083732 /nfs/dbraw/zinc/08/37/32/1189083732.db2.gz ULPJBVOMNRVVAP-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)CCCC1 ZINC001558559717 1189134576 /nfs/dbraw/zinc/13/45/76/1189134576.db2.gz LYCMHKXNKNUNPH-UHFFFAOYSA-N -1 3 305.378 3.050 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)CCCC1 ZINC001558559717 1189134578 /nfs/dbraw/zinc/13/45/78/1189134578.db2.gz LYCMHKXNKNUNPH-UHFFFAOYSA-N -1 3 305.378 3.050 20 30 DGEDHM O=C(c1ncc2n1CCCC2)N([O-])CCCCc1ccccc1 ZINC001559034438 1189163862 /nfs/dbraw/zinc/16/38/62/1189163862.db2.gz ZYFFKBOWUQXIMZ-UHFFFAOYSA-N -1 3 313.401 3.074 20 30 DGEDHM N#Cc1cccc([N+](=O)[O-])c1NCCc1c(F)cc([O-])cc1F ZINC001559287063 1189193197 /nfs/dbraw/zinc/19/31/97/1189193197.db2.gz CHJOHTSHYWRKNK-UHFFFAOYSA-N -1 3 319.267 3.105 20 30 DGEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001629243094 1194222244 /nfs/dbraw/zinc/22/22/44/1194222244.db2.gz XOSBZOPSDVBYEM-XJKSGUPXSA-N -1 3 301.386 3.460 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N2Cc3ccc(C#N)cc3C2)c1 ZINC001631129407 1194320700 /nfs/dbraw/zinc/32/07/00/1194320700.db2.gz DZQRBYPWGCVMMV-UHFFFAOYSA-N -1 3 310.378 3.142 20 30 DGEDHM CC#CCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001631720895 1194351897 /nfs/dbraw/zinc/35/18/97/1194351897.db2.gz WPWLXYUPYGWVJB-UHFFFAOYSA-N -1 3 307.393 3.321 20 30 DGEDHM Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc(C)c1C#N ZINC001637294591 1194661818 /nfs/dbraw/zinc/66/18/18/1194661818.db2.gz QXVBKGSKMWENJU-UHFFFAOYSA-N -1 3 306.325 3.009 20 30 DGEDHM C#C[C@H](NC(=O)c1ccc(OCCCC)cc1[O-])C(C)(C)C ZINC001638777858 1194737138 /nfs/dbraw/zinc/73/71/38/1194737138.db2.gz UBDOLFFKFRZCOA-INIZCTEOSA-N -1 3 303.402 3.349 20 30 DGEDHM CCCCN([O-])C(=O)c1cnn2c1nccc2-c1ccccc1 ZINC001639067010 1194749386 /nfs/dbraw/zinc/74/93/86/1194749386.db2.gz HHLSPXDFRMMKAN-UHFFFAOYSA-N -1 3 310.357 3.028 20 30 DGEDHM O=C([C@H]1CCCN1c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001639078490 1194749759 /nfs/dbraw/zinc/74/97/59/1194749759.db2.gz KGOJCAYLXYDZCS-QGZVFWFLSA-N -1 3 314.360 3.213 20 30 DGEDHM O=C([C@H]1C[C@]1(F)c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001639078499 1194749839 /nfs/dbraw/zinc/74/98/39/1194749839.db2.gz KLIAAPCIGIRPMR-WBVHZDCISA-N -1 3 303.308 3.428 20 30 DGEDHM CN(C)c1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001639079041 1194750132 /nfs/dbraw/zinc/75/01/32/1194750132.db2.gz YAWPKPRVALLIPK-UHFFFAOYSA-N -1 3 316.376 3.242 20 30 DGEDHM N#Cc1cc(NCc2ccc([O-])c(F)c2)ncc1Br ZINC001639524072 1194769983 /nfs/dbraw/zinc/76/99/83/1194769983.db2.gz RLNTWJZQZKFPJW-UHFFFAOYSA-N -1 3 322.137 3.173 20 30 DGEDHM CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1[O-] ZINC001639667211 1194775957 /nfs/dbraw/zinc/77/59/57/1194775957.db2.gz CYSDKTKUTSQXHT-LBPRGKRZSA-N -1 3 322.364 3.300 20 30 DGEDHM Cc1ccn2cc(C(=O)N([O-])Cc3ccccc3Cl)nc2c1 ZINC001641858130 1194874917 /nfs/dbraw/zinc/87/49/17/1194874917.db2.gz QJLIHCCORDEGQK-UHFFFAOYSA-N -1 3 315.760 3.328 20 30 DGEDHM CCCCCCN([O-])C(=O)Cn1nc(C(F)(F)F)cc1C ZINC001641867463 1194875828 /nfs/dbraw/zinc/87/58/28/1194875828.db2.gz HEDOLZINUOMAHO-UHFFFAOYSA-N -1 3 307.316 3.008 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@]1(C)CC(c2ccccc2)=NO1 ZINC001641867415 1194876205 /nfs/dbraw/zinc/87/62/05/1194876205.db2.gz FSJJGAKJNFOCMF-KRWDZBQOSA-N -1 3 304.390 3.368 20 30 DGEDHM CCCCCCN([O-])C(=O)c1scnc1Br ZINC001641867314 1194876226 /nfs/dbraw/zinc/87/62/26/1194876226.db2.gz BJRWUTWPVYOEIO-UHFFFAOYSA-N -1 3 307.213 3.317 20 30 DGEDHM CCCCN([O-])C(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 ZINC001641871456 1194876601 /nfs/dbraw/zinc/87/66/01/1194876601.db2.gz SNIZWYTTYSSQDD-UHFFFAOYSA-N -1 3 307.781 3.466 20 30 DGEDHM CCCCN([O-])C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C ZINC001641869811 1194876792 /nfs/dbraw/zinc/87/67/92/1194876792.db2.gz AWYSJDCRQJHLCV-GFCCVEGCSA-N -1 3 316.442 3.334 20 30 DGEDHM N#Cc1c(F)cccc1N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001643301482 1195012191 /nfs/dbraw/zinc/01/21/91/1195012191.db2.gz DXKOUDDWDZPRER-HAQNSBGRSA-N -1 3 312.348 3.331 20 30 DGEDHM CSc1ccc(CNC(=O)c2c(C)cccc2[O-])cc1C#N ZINC001644751235 1195132096 /nfs/dbraw/zinc/13/20/96/1195132096.db2.gz PMUQTIGQCCLQAQ-UHFFFAOYSA-N -1 3 312.394 3.224 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001651229086 1195429329 /nfs/dbraw/zinc/42/93/29/1195429329.db2.gz BJASFVLZXRFPGL-UHFFFAOYSA-N -1 3 315.316 3.349 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC001654819866 1195843824 /nfs/dbraw/zinc/84/38/24/1195843824.db2.gz UPKMMFQSHYAWOQ-HNNXBMFYSA-N -1 3 304.434 3.231 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001654819428 1195844018 /nfs/dbraw/zinc/84/40/18/1195844018.db2.gz COAQMNUEGZWYMU-LBPRGKRZSA-N -1 3 302.415 3.040 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12 ZINC001654821910 1195844278 /nfs/dbraw/zinc/84/42/78/1195844278.db2.gz OURXKJSHFXIYTQ-IACUBPJLSA-N -1 3 324.218 3.353 20 30 DGEDHM C[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1cccc(C#N)c1 ZINC001660106429 1196446462 /nfs/dbraw/zinc/44/64/62/1196446462.db2.gz FSNVWRGNYDTVIS-GFCCVEGCSA-N -1 3 320.352 3.165 20 30 DGEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001662079785 1196679559 /nfs/dbraw/zinc/67/95/59/1196679559.db2.gz BXJPEVTXGALLAH-CYBMUJFWSA-N -1 3 320.241 3.382 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001663040984 1196787585 /nfs/dbraw/zinc/78/75/85/1196787585.db2.gz QIPKOMBYOVSEEE-LLVKDONJSA-N -1 3 303.374 3.296 20 30 DGEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001664015486 1196964933 /nfs/dbraw/zinc/96/49/33/1196964933.db2.gz UTJVZJXBRWPRID-UHFFFAOYSA-N -1 3 320.817 3.145 20 30 DGEDHM N#CC(C(=O)c1ccc(C(=O)[O-])cc1)c1nc(C2CC2)cs1 ZINC001601047102 970921422 /nfs/dbraw/zinc/92/14/22/970921422.db2.gz IYJFVPXDVYFCJW-GFCCVEGCSA-N -1 3 312.350 3.209 20 30 DGEDHM CCC(CC)(C(=O)[O-])C(=O)C(C#N)c1nc2ccccc2s1 ZINC001589466821 954910443 /nfs/dbraw/zinc/91/04/43/954910443.db2.gz KWALFXQJWZUQBK-JTQLQIEISA-N -1 3 316.382 3.364 20 30 DGEDHM C#CCOc1cccc(Cl)c1CNC[C@@H](CC(C)C)C(=O)[O-] ZINC001588433511 958296932 /nfs/dbraw/zinc/29/69/32/958296932.db2.gz OETVDGPQNDFRPB-CYBMUJFWSA-N -1 3 323.820 3.189 20 30 DGEDHM CSc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1C#N ZINC001594193370 959178279 /nfs/dbraw/zinc/17/82/79/959178279.db2.gz DVGBSERIGNTEKY-UHFFFAOYSA-N -1 3 312.394 3.268 20 30 DGEDHM C#CC[C@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001573303246 962673719 /nfs/dbraw/zinc/67/37/19/962673719.db2.gz NCDWGDLTBLDZBI-IINYFYTJSA-N -1 3 312.196 3.464 20 30 DGEDHM CC(C)(C#N)CCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000318268522 970420538 /nfs/dbraw/zinc/42/05/38/970420538.db2.gz JUEOMLICYQHWHZ-MRXNPFEDSA-N -1 3 300.402 3.390 20 30 DGEDHM CC(C)(C#N)CCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000318268521 970420965 /nfs/dbraw/zinc/42/09/65/970420965.db2.gz JUEOMLICYQHWHZ-INIZCTEOSA-N -1 3 300.402 3.390 20 30 DGEDHM CC[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC001595305112 980442766 /nfs/dbraw/zinc/44/27/66/980442766.db2.gz KWPGOPMJUNGYLF-SFHVURJKSA-N -1 3 324.380 3.263 20 30 DGEDHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)ccc1C#N ZINC001599414835 997488026 /nfs/dbraw/zinc/48/80/26/997488026.db2.gz WPKONXAIFPKVEE-SFHVURJKSA-N -1 3 324.380 3.099 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2ncnc3ccsc32)s1 ZINC001125278962 1081601593 /nfs/dbraw/zinc/60/15/93/1081601593.db2.gz ICKWSNMXTYWQFD-UHFFFAOYSA-N -1 3 314.395 3.439 20 30 DGEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001626364788 1081719966 /nfs/dbraw/zinc/71/99/66/1081719966.db2.gz ZEJRHFDIYQEXHT-MEDUHNTESA-N -1 3 317.410 3.318 20 30 DGEDHM N#CCOc1ccccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001212598538 1081963100 /nfs/dbraw/zinc/96/31/00/1081963100.db2.gz ZMQXEJVNHKWLGS-UHFFFAOYSA-N -1 3 306.325 3.224 20 30 DGEDHM N#Cc1cnccc1[N-]C(=O)c1sc2ncccc2c1Cl ZINC001125887108 1083335180 /nfs/dbraw/zinc/33/51/80/1083335180.db2.gz PYCZGUBQIJZWBI-UHFFFAOYSA-N -1 3 314.757 3.469 20 30 DGEDHM N#Cc1cccc2[nH]cc(CC(=O)Nc3ccc(F)c([O-])c3)c21 ZINC001182582746 1083757290 /nfs/dbraw/zinc/75/72/90/1083757290.db2.gz PJYVSRFZHZBIPL-UHFFFAOYSA-N -1 3 309.300 3.065 20 30 DGEDHM O=C(Cc1ccc2c(c1)COC2)N([O-])Cc1ccccc1Cl ZINC001184283873 1084152111 /nfs/dbraw/zinc/15/21/11/1084152111.db2.gz UNJBQYJZPATYSR-UHFFFAOYSA-N -1 3 317.772 3.331 20 30 DGEDHM O=C([C@@H]1CCOc2c(F)cccc21)N([O-])Cc1ccc(F)cc1 ZINC001184348144 1084165964 /nfs/dbraw/zinc/16/59/64/1084165964.db2.gz LFIADJCREJZZSH-CQSZACIVSA-N -1 3 319.307 3.249 20 30 DGEDHM Cc1coc([N-]C(=O)c2cc3c(ncnc3Cl)s2)c1C#N ZINC001152954011 1088120779 /nfs/dbraw/zinc/12/07/79/1088120779.db2.gz FYMHDQMELRHLOG-UHFFFAOYSA-N -1 3 318.745 3.370 20 30 DGEDHM C=CC(C)(C)CCCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001154224015 1088523802 /nfs/dbraw/zinc/52/38/02/1088523802.db2.gz PCINRMBLQNNAHE-UHFFFAOYSA-N -1 3 304.390 3.073 20 30 DGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cn2cccc(F)c2n1 ZINC001154539586 1088649580 /nfs/dbraw/zinc/64/95/80/1088649580.db2.gz ZONOLDJGZRWXFS-UHFFFAOYSA-N -1 3 320.283 3.344 20 30 DGEDHM COc1cccc2c(C(=O)Nc3ccc([O-])c(C#N)c3)c[nH]c21 ZINC001154877356 1088803756 /nfs/dbraw/zinc/80/37/56/1088803756.db2.gz QZPMTDCKHLXJIU-UHFFFAOYSA-N -1 3 307.309 3.006 20 30 DGEDHM O=C(c1cnc2ccccc2n1)N([O-])CCCCc1ccccc1 ZINC001161807534 1089414229 /nfs/dbraw/zinc/41/42/29/1089414229.db2.gz JSMOZRGXGVVCHW-UHFFFAOYSA-N -1 3 321.380 3.484 20 30 DGEDHM O=C(c1c[nH]nc1-c1ccco1)N([O-])Cc1ccccc1Cl ZINC001161807919 1089414690 /nfs/dbraw/zinc/41/46/90/1089414690.db2.gz RNOSENXRNWCOKB-UHFFFAOYSA-N -1 3 317.732 3.355 20 30 DGEDHM Cc1ccn(C[C@H](C)C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001161819237 1089421722 /nfs/dbraw/zinc/42/17/22/1089421722.db2.gz PRZPYCVONFKRCQ-HNNXBMFYSA-N -1 3 315.417 3.068 20 30 DGEDHM CCCCCCN([O-])C(=O)C1(C(=O)OC(C)(C)C)CC=CC1 ZINC001161827014 1089427221 /nfs/dbraw/zinc/42/72/21/1089427221.db2.gz SRCCYQKRIHGLGZ-UHFFFAOYSA-N -1 3 311.422 3.463 20 30 DGEDHM C=CC(C)(C)CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001157817143 1090120860 /nfs/dbraw/zinc/12/08/60/1090120860.db2.gz ADQPZNRJZGYDLY-UHFFFAOYSA-N -1 3 304.777 3.124 20 30 DGEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1[O-] ZINC001299259618 1090378018 /nfs/dbraw/zinc/37/80/18/1090378018.db2.gz OGRKKWYKBWOXCI-OAHLLOKOSA-N -1 3 311.381 3.318 20 30 DGEDHM O=C(c1ccc(C2CC2)[nH]c1=O)N([O-])Cc1ccccc1Cl ZINC001649046007 1090574768 /nfs/dbraw/zinc/57/47/68/1090574768.db2.gz IQUMFYADPRKVPO-UHFFFAOYSA-N -1 3 318.760 3.350 20 30 DGEDHM CCCCN([O-])C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC001649060965 1090584041 /nfs/dbraw/zinc/58/40/41/1090584041.db2.gz FZYQBZIFUJZXHM-UHFFFAOYSA-N -1 3 319.380 3.189 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N(CC2CC2)C(C)C)n1 ZINC001166618514 1090630642 /nfs/dbraw/zinc/63/06/42/1090630642.db2.gz CBTHCYSNMOSEBM-GIDUJCDVSA-N -1 3 314.842 3.285 20 30 DGEDHM COC(=O)c1ccc([O-])cc1Nc1cc(F)c(C#N)c(F)c1 ZINC001203680521 1090778874 /nfs/dbraw/zinc/77/88/74/1090778874.db2.gz CJKBXOLYIYLDBX-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM C=CCO[N-]C(=O)C1(Cc2cccc(OC)c2)CCCCC1 ZINC001140879673 1092045113 /nfs/dbraw/zinc/04/51/13/1092045113.db2.gz LZKPVJZDJBZGRQ-UHFFFAOYSA-N -1 3 303.402 3.422 20 30 DGEDHM CCCCCCCCC/C=C\C(=O)N[C@H]1CCCN([O-])C1=O ZINC001298541730 1092071777 /nfs/dbraw/zinc/07/17/77/1092071777.db2.gz LHMPDUZBWBUJSZ-WVUXNXBLSA-N -1 3 310.438 3.180 20 30 DGEDHM N#Cc1ccc(CC2CCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001140946493 1092075743 /nfs/dbraw/zinc/07/57/43/1092075743.db2.gz MLYNDTYMCRYEON-UHFFFAOYSA-N -1 3 324.380 3.304 20 30 DGEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cnnc2ccccc21 ZINC001149474613 1092696049 /nfs/dbraw/zinc/69/60/49/1092696049.db2.gz HAJSDYBSVHUTCM-UHFFFAOYSA-N -1 3 310.263 3.032 20 30 DGEDHM COc1ccc2cc(C(=O)Nc3ccc([O-])c(C#N)c3)[nH]c2c1 ZINC001149569352 1092710624 /nfs/dbraw/zinc/71/06/24/1092710624.db2.gz OHCIUVNBRGIXSF-UHFFFAOYSA-N -1 3 307.309 3.006 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)CCc2ccc(Cl)cc2)c1 ZINC001151424756 1092897518 /nfs/dbraw/zinc/89/75/18/1092897518.db2.gz HMGPELKQNGDQRP-UHFFFAOYSA-N -1 3 300.745 3.254 20 30 DGEDHM CNC(=O)c1cc(C#N)cc(C)c1Nc1cccc(Cl)c1[O-] ZINC001210222623 1093083663 /nfs/dbraw/zinc/08/36/63/1093083663.db2.gz AIASQXOOOWYBGQ-UHFFFAOYSA-N -1 3 315.760 3.329 20 30 DGEDHM N#Cc1cc(Nc2c([O-])cccc2Br)ccc1O ZINC001210529375 1093197780 /nfs/dbraw/zinc/19/77/80/1093197780.db2.gz OUPRSIFGHIFREO-UHFFFAOYSA-N -1 3 305.131 3.476 20 30 DGEDHM COC(=O)c1cc(Nc2ccc([O-])c(C#N)c2)c(F)cc1F ZINC001210529189 1093197939 /nfs/dbraw/zinc/19/79/39/1093197939.db2.gz JFRANJIAMSGTBN-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM N#Cc1cc(Nc2ccc([O-])c(Br)c2)ccc1O ZINC001210529696 1093198310 /nfs/dbraw/zinc/19/83/10/1093198310.db2.gz UKCNFSKWBUDDMY-UHFFFAOYSA-N -1 3 305.131 3.476 20 30 DGEDHM C=CCn1cnc2c1ncnc2Nc1c(Cl)ccc([O-])c1F ZINC001214557751 1093799328 /nfs/dbraw/zinc/79/93/28/1093799328.db2.gz IXVLVDNQEYNPIO-UHFFFAOYSA-N -1 3 319.727 3.254 20 30 DGEDHM N#Cc1ccc(F)c(-c2noc(-c3nc4ccccc4[n-]3)n2)c1 ZINC001217137412 1094316222 /nfs/dbraw/zinc/31/62/22/1094316222.db2.gz YKWJGJOESOODKI-UHFFFAOYSA-N -1 3 305.272 3.291 20 30 DGEDHM C=CCOCCCOC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001123024368 1095137505 /nfs/dbraw/zinc/13/75/05/1095137505.db2.gz KMOPNPRHIIQAJZ-UHFFFAOYSA-N -1 3 310.300 3.250 20 30 DGEDHM CCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC001115817696 1095401973 /nfs/dbraw/zinc/40/19/73/1095401973.db2.gz CLEVVIHHRMFUID-OAHLLOKOSA-N -1 3 314.410 3.267 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(C(F)F)c2)c1[O-] ZINC001116684623 1095634113 /nfs/dbraw/zinc/63/41/13/1095634113.db2.gz SIZJJRSEBVCTAR-UFWORHAWSA-N -1 3 306.312 3.145 20 30 DGEDHM CCc1cccc(C(=O)NC(C)(C)c2cccc(C#N)c2)c1[O-] ZINC001147111877 1096171005 /nfs/dbraw/zinc/17/10/05/1096171005.db2.gz RXMUNCOJBSWPLE-UHFFFAOYSA-N -1 3 308.381 3.491 20 30 DGEDHM Cc1ccc([O-])c(NC(=O)c2ccc(OC(C)C)c(C#N)c2)n1 ZINC001148769859 1096445023 /nfs/dbraw/zinc/44/50/23/1096445023.db2.gz XKNFEKZRDDINAJ-UHFFFAOYSA-N -1 3 311.341 3.007 20 30 DGEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2ccccc2F)cc1 ZINC001171370005 1096544671 /nfs/dbraw/zinc/54/46/71/1096544671.db2.gz RXUBTXNFLMGZSD-ZBEGNZNMSA-N -1 3 300.333 3.141 20 30 DGEDHM C=CC[C@@H](Oc1[n-]c(=O)ncc1C(=O)OCC)c1ccccc1 ZINC001225899261 1096557118 /nfs/dbraw/zinc/55/71/18/1096557118.db2.gz KENIMNZPWGDAST-CQSZACIVSA-N -1 3 314.341 3.055 20 30 DGEDHM CC[C@H](C#Cc1ccccc1)Oc1cc(COC)nc(=S)[n-]1 ZINC001225938787 1096568932 /nfs/dbraw/zinc/56/89/32/1096568932.db2.gz SQDRPSQYYRRFCY-OAHLLOKOSA-N -1 3 314.410 3.121 20 30 DGEDHM C=CCOc1ccccc1[C@@H](C)Oc1cc(=O)[n-]c(CC)n1 ZINC001226474389 1096699044 /nfs/dbraw/zinc/69/90/44/1096699044.db2.gz FQBLIXXDAVEWHJ-GFCCVEGCSA-N -1 3 300.358 3.449 20 30 DGEDHM C[C@@H]1C[C@@H](Oc2cc(C#N)ccc2[O-])CN1C(=O)OC(C)(C)C ZINC001227346799 1096918799 /nfs/dbraw/zinc/91/87/99/1096918799.db2.gz XDEJNTLNEOQIHH-DGCLKSJQSA-N -1 3 318.373 3.041 20 30 DGEDHM Cc1ccnc(N2CCC(Oc3cc(C#N)ccc3[O-])CC2)c1 ZINC001227351270 1096919844 /nfs/dbraw/zinc/91/98/44/1096919844.db2.gz UEBQMZZBHUHZES-UHFFFAOYSA-N -1 3 309.369 3.015 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])O1 ZINC001228685068 1097167160 /nfs/dbraw/zinc/16/71/60/1097167160.db2.gz DGQZWPVVJDHTJV-LRDDRELGSA-N -1 3 322.361 3.285 20 30 DGEDHM CC[C@H](C#CC(=O)OC)Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228960076 1097226974 /nfs/dbraw/zinc/22/69/74/1097226974.db2.gz UITAABZFWBKMBM-CYBMUJFWSA-N -1 3 318.369 3.052 20 30 DGEDHM C=CCOc1ccc(-c2noc(-c3cncc([O-])c3)n2)c(F)c1 ZINC001212709896 1097353817 /nfs/dbraw/zinc/35/38/17/1097353817.db2.gz UPAOBZMNPSPCJD-UHFFFAOYSA-N -1 3 313.288 3.208 20 30 DGEDHM COC(=O)C[C@H]1CCC[C@@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229737428 1097374916 /nfs/dbraw/zinc/37/49/16/1097374916.db2.gz YMYHHVQGTDIZLN-YKJWAUKPSA-N -1 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ZINC000619766322 400902953 /nfs/dbraw/zinc/90/29/53/400902953.db2.gz WSFVBIYPFOAJTA-UHFFFAOYSA-N -1 3 300.745 3.156 20 30 DGEDHM N#CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCC1 ZINC000598897966 400907648 /nfs/dbraw/zinc/90/76/48/400907648.db2.gz NBCYZUQMSCQNBH-UHFFFAOYSA-N -1 3 312.291 3.319 20 30 DGEDHM CC(C)C[C@@H](C#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598896711 400907987 /nfs/dbraw/zinc/90/79/87/400907987.db2.gz NBQICJMTTTWCON-NSHDSACASA-N -1 3 300.280 3.079 20 30 DGEDHM CN1CCC(=O)C[C@H]1c1ccc(-c2ccc([O-])c(C#N)c2)cc1 ZINC000629729952 401060810 /nfs/dbraw/zinc/06/08/10/401060810.db2.gz KWLFPCABWYCBNV-SFHVURJKSA-N -1 3 306.365 3.267 20 30 DGEDHM Cc1cccc2c1[n-]cc(C(=O)N(CCC#N)CC1CC1)c2=O ZINC000164553376 228264362 /nfs/dbraw/zinc/26/43/62/228264362.db2.gz MKBCZAUSBYZARM-UHFFFAOYSA-N -1 3 309.369 3.015 20 30 DGEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c1Cl ZINC000330921919 229009550 /nfs/dbraw/zinc/00/95/50/229009550.db2.gz QSFZBWZHZIQVJV-JTQLQIEISA-N -1 3 321.229 3.128 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1Cl ZINC000340183888 229087027 /nfs/dbraw/zinc/08/70/27/229087027.db2.gz JCUIXPJKLBJUQC-GFCCVEGCSA-N -1 3 315.760 3.246 20 30 DGEDHM Cc1nc(C)c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000345400618 229152210 /nfs/dbraw/zinc/15/22/10/229152210.db2.gz PZDJGCDYIAEBOH-LLVKDONJSA-N -1 3 310.382 3.435 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Cl)cc3)nc1-2 ZINC000357663398 229352150 /nfs/dbraw/zinc/35/21/50/229352150.db2.gz KTFGLIREXUNIFZ-GFCCVEGCSA-N -1 3 310.744 3.410 20 30 DGEDHM N#Cc1ccc(C2=CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000378339798 268053648 /nfs/dbraw/zinc/05/36/48/268053648.db2.gz YRFLOXDPYCQERJ-UHFFFAOYSA-N -1 3 304.349 3.193 20 30 DGEDHM N#Cc1cccc(F)c1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000354222635 268259338 /nfs/dbraw/zinc/25/93/38/268259338.db2.gz WXUJZECCGXPMJJ-UHFFFAOYSA-N -1 3 304.708 3.238 20 30 DGEDHM N#CC(=C([O-])c1csc(Cl)c1)c1nnc2n1CCCCC2 ZINC000191376577 432256558 /nfs/dbraw/zinc/25/65/58/432256558.db2.gz KEUZUFIHGROHNO-SNVBAGLBSA-N -1 3 320.805 3.209 20 30 DGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000121537563 431799778 /nfs/dbraw/zinc/79/97/78/431799778.db2.gz FWKGNKXVHQFLCR-QMMMGPOBSA-N -1 3 314.457 3.033 20 30 DGEDHM N#Cc1csc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000084085504 431813384 /nfs/dbraw/zinc/81/33/84/431813384.db2.gz WYFYDARSMSBIKO-UHFFFAOYSA-N -1 3 318.408 3.452 20 30 DGEDHM CC(C)C[C@@H](C)OCCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000087279562 431852868 /nfs/dbraw/zinc/85/28/68/431852868.db2.gz GHWROIFQRXGAOS-LLVKDONJSA-N -1 3 306.366 3.494 20 30 DGEDHM CC(C)C[C@@H](C)OCCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000087279562 431852869 /nfs/dbraw/zinc/85/28/69/431852869.db2.gz GHWROIFQRXGAOS-LLVKDONJSA-N -1 3 306.366 3.494 20 30 DGEDHM CC(C)C[C@@H](C)OCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000087279562 431852871 /nfs/dbraw/zinc/85/28/71/431852871.db2.gz GHWROIFQRXGAOS-LLVKDONJSA-N -1 3 306.366 3.494 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(C)cc1 ZINC000041481697 431859814 /nfs/dbraw/zinc/85/98/14/431859814.db2.gz VNPOTNXUEMXIBI-MRXNPFEDSA-N -1 3 316.364 3.374 20 30 DGEDHM C[C@@H](CC#N)N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094107599 431919544 /nfs/dbraw/zinc/91/95/44/431919544.db2.gz IEXMRUKXAMCYOJ-AWEZNQCLSA-N -1 3 308.381 3.357 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000048852127 431933196 /nfs/dbraw/zinc/93/31/96/431933196.db2.gz BWAMYYADDSONHW-CQSZACIVSA-N -1 3 303.321 3.128 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3ccnc3)cc2)n1 ZINC000193268401 432461198 /nfs/dbraw/zinc/46/11/98/432461198.db2.gz OESHJTKHKWUFJR-AWEZNQCLSA-N -1 3 308.366 3.127 20 30 DGEDHM Cc1c([O-])ccc2c(CN(CC#N)C3CCCC3)cc(=O)oc12 ZINC000156675288 432603994 /nfs/dbraw/zinc/60/39/94/432603994.db2.gz FPXZRXHHXYCQHH-UHFFFAOYSA-N -1 3 312.369 3.075 20 30 DGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000273937166 432632003 /nfs/dbraw/zinc/63/20/03/432632003.db2.gz JFFPRQCVFZBPQZ-SECBINFHSA-N -1 3 321.229 3.272 20 30 DGEDHM CC(C)(C)c1nnc([N-]C(=O)c2cccc(F)c2C#N)s1 ZINC000187013908 432641183 /nfs/dbraw/zinc/64/11/83/432641183.db2.gz CPQLPJSDCYNZEY-UHFFFAOYSA-N -1 3 304.350 3.099 20 30 DGEDHM CCCOc1ccc(/C=N/CCN(C)CC(F)(F)F)c([O-])c1 ZINC000264821329 432664748 /nfs/dbraw/zinc/66/47/48/432664748.db2.gz VAWJHJWKQNNMGN-VXLYETTFSA-N -1 3 318.339 3.094 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)c2cccs2)c1[O-] ZINC000265093961 432667293 /nfs/dbraw/zinc/66/72/93/432667293.db2.gz OQJNDWCNGPOWNY-CAOOACKPSA-N -1 3 304.415 3.046 20 30 DGEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2ccc(F)c(F)c2F)n1 ZINC000161043548 432755794 /nfs/dbraw/zinc/75/57/94/432755794.db2.gz LTZNKPUQCJKNHU-UHFFFAOYSA-N -1 3 308.263 3.005 20 30 DGEDHM O=C1[C@H](/N=C/c2ccccc2[O-])CCCN1C1CCCCC1 ZINC000276208432 432782351 /nfs/dbraw/zinc/78/23/51/432782351.db2.gz WCUQYYOXWOTXEJ-CXDFQFJYSA-N -1 3 300.402 3.135 20 30 DGEDHM C=CC[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000188555393 432731717 /nfs/dbraw/zinc/73/17/17/432731717.db2.gz QNTCLPLVPSQDID-SNVBAGLBSA-N -1 3 310.279 3.122 20 30 DGEDHM C=CC[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000188555393 432731719 /nfs/dbraw/zinc/73/17/19/432731719.db2.gz QNTCLPLVPSQDID-SNVBAGLBSA-N -1 3 310.279 3.122 20 30 DGEDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160769607 432740026 /nfs/dbraw/zinc/74/00/26/432740026.db2.gz GNABVMGBCSWWIA-JQWIXIFHSA-N -1 3 312.822 3.069 20 30 DGEDHM CCCOc1ccc(/C=N/C[C@H](O)c2ccc(F)cc2)c([O-])c1 ZINC000278244743 432890622 /nfs/dbraw/zinc/89/06/22/432890622.db2.gz LVRSZUUQTPJRRF-PQFHHTBUSA-N -1 3 317.360 3.473 20 30 DGEDHM O=C(NCc1ccc([O-])c(F)c1)NCC1CCC(F)(F)CC1 ZINC000330377699 432905439 /nfs/dbraw/zinc/90/54/39/432905439.db2.gz FMOXHKQZEHABMN-UHFFFAOYSA-N -1 3 316.323 3.360 20 30 DGEDHM [O-]c1cccc(/C=N/c2ccc(OC[C@@H]3CCCO3)cc2)c1O ZINC000298641790 433202663 /nfs/dbraw/zinc/20/26/63/433202663.db2.gz KRSDBVKJGWFRNI-ZVCOJXFSSA-N -1 3 313.353 3.406 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)c1 ZINC000361509701 433215672 /nfs/dbraw/zinc/21/56/72/433215672.db2.gz DMTYVGPGLSHVAZ-OAHLLOKOSA-N -1 3 317.348 3.437 20 30 DGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000281578712 433313824 /nfs/dbraw/zinc/31/38/24/433313824.db2.gz QCLGZLKGDVTBPT-GFCCVEGCSA-N -1 3 315.822 3.176 20 30 DGEDHM CCOc1cccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000299330569 433361596 /nfs/dbraw/zinc/36/15/96/433361596.db2.gz IQDUDMUKWBAWGS-HMASQMOLSA-N -1 3 314.385 3.167 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3ccccc3c2C)nc(C)n1 ZINC000361995905 433482618 /nfs/dbraw/zinc/48/26/18/433482618.db2.gz IGOCSJLHNBQBJC-OAHLLOKOSA-N -1 3 316.364 3.440 20 30 DGEDHM C=CC[C@@H](CC)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000282063271 433482826 /nfs/dbraw/zinc/48/28/26/433482826.db2.gz SGACZJSCBJJPQJ-GFCCVEGCSA-N -1 3 302.349 3.472 20 30 DGEDHM COc1cc(C(=O)Nc2cc(C#N)ccc2NC2CC2)ccc1[O-] ZINC000355633585 433551784 /nfs/dbraw/zinc/55/17/84/433551784.db2.gz ZMBCXKFFIZGKGH-UHFFFAOYSA-N -1 3 323.352 3.099 20 30 DGEDHM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(C#N)cc2)cc1 ZINC000426721289 433571936 /nfs/dbraw/zinc/57/19/36/433571936.db2.gz RQCQFLFMMAABEI-SFHVURJKSA-N -1 3 324.380 3.263 20 30 DGEDHM N#Cc1cccnc1Sc1n[n-]c(-c2cc(F)cc(F)c2)n1 ZINC000301558062 433610469 /nfs/dbraw/zinc/61/04/69/433610469.db2.gz SWPKFLMSYNZMCR-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM Cc1ncoc1C(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000356755404 433678115 /nfs/dbraw/zinc/67/81/15/433678115.db2.gz FYFDZSHJIZSOGQ-UHFFFAOYSA-N -1 3 301.371 3.437 20 30 DGEDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427284768 433687066 /nfs/dbraw/zinc/68/70/66/433687066.db2.gz PRDRIKBIYZHBAD-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(Cl)c1 ZINC000427103330 433651535 /nfs/dbraw/zinc/65/15/35/433651535.db2.gz VOOVSUWTIMTZPI-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM N#Cc1ccc2c(c1)N(C(=O)c1c[n-]nc1-c1ccccc1)CC2 ZINC000339825951 433808730 /nfs/dbraw/zinc/80/87/30/433808730.db2.gz KQRRSPOXTLNKFI-UHFFFAOYSA-N 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QVSXNQZQLRXKAJ-UHFFFAOYSA-N -1 3 305.271 3.424 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COC(C)(C)C)c1C ZINC000416962895 434259851 /nfs/dbraw/zinc/25/98/51/434259851.db2.gz UMIYNADZOKHFSD-AWEZNQCLSA-N -1 3 324.446 3.354 20 30 DGEDHM C=CCOc1ccc(CC(=O)N2CCCc3cccc([O-])c32)cc1 ZINC000450510163 434237804 /nfs/dbraw/zinc/23/78/04/434237804.db2.gz FQVOFFOYQXGFJZ-UHFFFAOYSA-N -1 3 323.392 3.479 20 30 DGEDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000388852482 434339196 /nfs/dbraw/zinc/33/91/96/434339196.db2.gz BPEPDJAKMOCKBD-DGCLKSJQSA-N -1 3 312.822 3.069 20 30 DGEDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@@]12CCOC2 ZINC000329696478 434460724 /nfs/dbraw/zinc/46/07/24/434460724.db2.gz BVHCOCQWKDWTDX-ZWNOBZJWSA-N -1 3 301.264 3.426 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000398277380 434456630 /nfs/dbraw/zinc/45/66/30/434456630.db2.gz LGMIETLPDXPXIQ-LLVKDONJSA-N -1 3 312.822 3.235 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000398287541 434457347 /nfs/dbraw/zinc/45/73/47/434457347.db2.gz VMQOWUWKEWLZPQ-NSHDSACASA-N -1 3 312.822 3.235 20 30 DGEDHM CCOc1cc(-c2noc(-c3ccc(C#N)s3)n2)ccc1[O-] ZINC000445425169 434799258 /nfs/dbraw/zinc/79/92/58/434799258.db2.gz BKHVMVBQJRXKLH-UHFFFAOYSA-N -1 3 313.338 3.441 20 30 DGEDHM CCOc1cc(-c2noc(Cc3ccc(C#N)cc3)n2)ccc1[O-] ZINC000445425024 434798027 /nfs/dbraw/zinc/79/80/27/434798027.db2.gz APAIZZCNJUEDSF-UHFFFAOYSA-N -1 3 321.336 3.303 20 30 DGEDHM CCC(C#N)(CC)C(=O)Nc1cc(Br)ccc1[O-] ZINC000528905254 435030529 /nfs/dbraw/zinc/03/05/29/435030529.db2.gz RSQOGPRMAGOBCO-UHFFFAOYSA-N -1 3 311.179 3.423 20 30 DGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000464412788 434987837 /nfs/dbraw/zinc/98/78/37/434987837.db2.gz ADKWQNBJAPYQHZ-ZDUSSCGKSA-N -1 3 318.801 3.086 20 30 DGEDHM C=CCOc1ccc(/C=C\C(=O)[N-]OC/C=C\Cl)cc1OC ZINC000493353330 435153656 /nfs/dbraw/zinc/15/36/56/435153656.db2.gz NPESPDLTNTUTTI-UQPYIGIGSA-N -1 3 323.776 3.074 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1c(C)nn(CC(C)C)c1Cl ZINC000493490030 435181789 /nfs/dbraw/zinc/18/17/89/435181789.db2.gz VOUAGWUCCQRAED-TVRMLOFPSA-N -1 3 311.813 3.136 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000496992202 435281544 /nfs/dbraw/zinc/28/15/44/435281544.db2.gz WLLCKXUGVBNHMO-UHFFFAOYSA-N -1 3 320.389 3.200 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000537184099 435428976 /nfs/dbraw/zinc/42/89/76/435428976.db2.gz AAEKJRQIWRGVQU-VIFPVBQESA-N -1 3 307.337 3.127 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000538287132 435490245 /nfs/dbraw/zinc/49/02/45/435490245.db2.gz LPMNQNAVYMBBNT-NSHDSACASA-N -1 3 312.822 3.235 20 30 DGEDHM C=CCn1cccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000570142713 435592895 /nfs/dbraw/zinc/59/28/95/435592895.db2.gz DXIPORDTCHQHEZ-UHFFFAOYSA-N -1 3 321.174 3.395 20 30 DGEDHM COc1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1[O-] ZINC000548308668 435682270 /nfs/dbraw/zinc/68/22/70/435682270.db2.gz KTOWDHNATVQZKW-UHFFFAOYSA-N -1 3 302.717 3.178 20 30 DGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCC#Cc2cccc(Cl)c2)n1 ZINC000660751963 435880674 /nfs/dbraw/zinc/88/06/74/435880674.db2.gz QCIRJYRBXGIFLX-UHFFFAOYSA-N -1 3 315.804 3.020 20 30 DGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCC#Cc2ccccc2Cl)n1 ZINC000660751119 435880927 /nfs/dbraw/zinc/88/09/27/435880927.db2.gz JCBUPFZDMDWKEX-UHFFFAOYSA-N -1 3 315.804 3.020 20 30 DGEDHM C=CCN(Cc1cc(Br)ccc1C(=O)[O-])C1CC1 ZINC000652442748 435981424 /nfs/dbraw/zinc/98/14/24/435981424.db2.gz VKBMONQANICWRL-UHFFFAOYSA-N -1 3 310.191 3.298 20 30 DGEDHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000570150221 315628090 /nfs/dbraw/zinc/62/80/90/315628090.db2.gz OOAIQUWUSILKII-DGCLKSJQSA-N -1 3 312.460 3.257 20 30 DGEDHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000388852478 323655983 /nfs/dbraw/zinc/65/59/83/323655983.db2.gz BPEPDJAKMOCKBD-AAEUAGOBSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ncc(C#N)cc1C ZINC000584068771 331660697 /nfs/dbraw/zinc/66/06/97/331660697.db2.gz JWKVFSGRRBDXPE-UHFFFAOYSA-N -1 3 318.336 3.477 20 30 DGEDHM C=C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000583435695 332405542 /nfs/dbraw/zinc/40/55/42/332405542.db2.gz ZNWBNROSXHNYGX-MFKMUULPSA-N -1 3 315.291 3.331 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CC)[C@@H](O)c1c(F)cccc1F ZINC000293573501 335109294 /nfs/dbraw/zinc/10/92/94/335109294.db2.gz BVOAMESDHQPYAP-WCQYABFASA-N -1 3 319.298 3.104 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(F)c1 ZINC000278498202 334096834 /nfs/dbraw/zinc/09/68/34/334096834.db2.gz NEQXSCODFNJDPD-INIZCTEOSA-N -1 3 324.421 3.026 20 30 DGEDHM N#CCCC1CCN(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CC1 ZINC000564080386 337452281 /nfs/dbraw/zinc/45/22/81/337452281.db2.gz GGCDEDGNHFKUJG-UHFFFAOYSA-N -1 3 322.412 3.365 20 30 DGEDHM C=CCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C1CC1 ZINC000538978410 340864202 /nfs/dbraw/zinc/86/42/02/340864202.db2.gz HSTVMIYVTODGAY-UHFFFAOYSA-N -1 3 324.384 3.340 20 30 DGEDHM CC[C@](C)(C#N)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548689700 341269517 /nfs/dbraw/zinc/26/95/17/341269517.db2.gz SYCNTTKRWZMIFO-LJQANCHMSA-N -1 3 322.364 3.045 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3CC#N)n[n-]2)o1 ZINC000549710763 341301117 /nfs/dbraw/zinc/30/11/17/341301117.db2.gz HUOXWELECUPWBG-UHFFFAOYSA-N -1 3 306.325 3.297 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3ccccc3CC#N)[n-]n2)o1 ZINC000549710763 341301118 /nfs/dbraw/zinc/30/11/18/341301118.db2.gz HUOXWELECUPWBG-UHFFFAOYSA-N -1 3 306.325 3.297 20 30 DGEDHM Cc1ccc2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)ccc2n1 ZINC000340187215 534466094 /nfs/dbraw/zinc/46/60/94/534466094.db2.gz WBPUYEGQOSCLTF-MRXNPFEDSA-N -1 3 316.364 3.440 20 30 DGEDHM Cc1cccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1[O-] ZINC000159368490 534618579 /nfs/dbraw/zinc/61/85/79/534618579.db2.gz YNPAVYXWLSUEFE-CQSZACIVSA-N -1 3 300.745 3.349 20 30 DGEDHM C=CCN(Cc1cccs1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442653603 526375646 /nfs/dbraw/zinc/37/56/46/526375646.db2.gz OVPHLEGYAQBTCV-UHFFFAOYSA-N -1 3 303.383 3.291 20 30 DGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc([O-])c1 ZINC000342498248 526572475 /nfs/dbraw/zinc/57/24/75/526572475.db2.gz UXXRLUNTLJATHQ-UHFFFAOYSA-N -1 3 313.401 3.388 20 30 DGEDHM C=C(C)[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000351331052 526756647 /nfs/dbraw/zinc/75/66/47/526756647.db2.gz QXJWILCHSZLZSB-GFCCVEGCSA-N -1 3 310.325 3.174 20 30 DGEDHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)s1 ZINC000331488732 526788871 /nfs/dbraw/zinc/78/88/71/526788871.db2.gz MPXPJSNCOVWXGK-CQSZACIVSA-N -1 3 312.460 3.016 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1cc(-c2ccccc2)on1 ZINC000348120349 527331133 /nfs/dbraw/zinc/33/11/33/527331133.db2.gz NPGSTVYYIYJXMJ-UHFFFAOYSA-N -1 3 314.370 3.117 20 30 DGEDHM CC(C)=CCOc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354458211 527449192 /nfs/dbraw/zinc/44/91/92/527449192.db2.gz COEWHMGRISVBQI-MRXNPFEDSA-N -1 3 307.353 3.312 20 30 DGEDHM CCCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443032452 527990988 /nfs/dbraw/zinc/99/09/88/527990988.db2.gz JUEYGJZNGCCXQJ-UHFFFAOYSA-N -1 3 300.811 3.069 20 30 DGEDHM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443027536 527991432 /nfs/dbraw/zinc/99/14/32/527991432.db2.gz CRFNERXKWHSYBS-UHFFFAOYSA-N -1 3 300.811 3.069 20 30 DGEDHM CCO[C@H](CC/N=C/c1ccc(O)c([O-])c1O)C1CCCC1 ZINC000176323139 528032070 /nfs/dbraw/zinc/03/20/70/528032070.db2.gz CNKUTTMJXBISGH-CLXYIWAZSA-N -1 3 307.390 3.208 20 30 DGEDHM CCN(C[C@@H](C)C#N)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000162528766 528632721 /nfs/dbraw/zinc/63/27/21/528632721.db2.gz JBSXPCVKGYIKBH-LBPRGKRZSA-N -1 3 311.385 3.179 20 30 DGEDHM CCCOc1cc([O-])ccc1NC(=O)c1sccc1C#N ZINC000430455326 528634622 /nfs/dbraw/zinc/63/46/22/528634622.db2.gz HQPUGNMTZBUQTM-UHFFFAOYSA-N -1 3 302.355 3.366 20 30 DGEDHM CC(C)n1nccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000130161214 528676617 /nfs/dbraw/zinc/67/66/17/528676617.db2.gz AJMKLNCYFZIBOR-NSHDSACASA-N -1 3 322.290 3.368 20 30 DGEDHM CCc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973647 545720359 /nfs/dbraw/zinc/72/03/59/545720359.db2.gz TXHIEANQYNXYMP-UHFFFAOYSA-N -1 3 312.329 3.294 20 30 DGEDHM CCc1ccccc1OCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973647 545720363 /nfs/dbraw/zinc/72/03/63/545720363.db2.gz TXHIEANQYNXYMP-UHFFFAOYSA-N -1 3 312.329 3.294 20 30 DGEDHM CCc1ccccc1OCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973647 545720367 /nfs/dbraw/zinc/72/03/67/545720367.db2.gz TXHIEANQYNXYMP-UHFFFAOYSA-N -1 3 312.329 3.294 20 30 DGEDHM COCC#CCSc1nnc([N-]c2ccccc2F)s1 ZINC000677804990 548557540 /nfs/dbraw/zinc/55/75/40/548557540.db2.gz NJILKTIMWSWDEW-UHFFFAOYSA-N -1 3 309.391 3.163 20 30 DGEDHM CCOc1cc(C=NNc2ccc(F)cn2)cc(Cl)c1[O-] ZINC000731320334 574547095 /nfs/dbraw/zinc/54/70/95/574547095.db2.gz YCUOTTAQOVZXPI-UHFFFAOYSA-N -1 3 309.728 3.424 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@](C)(O)c1ccc(F)cc1F ZINC000733903695 574642286 /nfs/dbraw/zinc/64/22/86/574642286.db2.gz PCZJBWCLDURFCH-WZIKDTQPSA-N -1 3 321.323 3.006 20 30 DGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1OCC ZINC000735205229 574692406 /nfs/dbraw/zinc/69/24/06/574692406.db2.gz BBONKSPTABRQPL-PPOCWRSBSA-N -1 3 300.358 3.089 20 30 DGEDHM C=CCCCCCN(C)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000736098081 574731432 /nfs/dbraw/zinc/73/14/32/574731432.db2.gz REGGDPFXUBKOBI-UHFFFAOYSA-N -1 3 301.390 3.370 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H](Cc2ccccc2)C2CC2)c1[O-] ZINC000736430654 574750796 /nfs/dbraw/zinc/75/07/96/574750796.db2.gz CRRXEOVCGUTSLT-UTYYKHSJSA-N -1 3 310.397 3.028 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736817245 574807416 /nfs/dbraw/zinc/80/74/16/574807416.db2.gz VBPSTMUEHGACCS-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736817245 574807420 /nfs/dbraw/zinc/80/74/20/574807420.db2.gz VBPSTMUEHGACCS-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1cccc(C#N)c1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000736822423 574807763 /nfs/dbraw/zinc/80/77/63/574807763.db2.gz NNOUIBNZUTXXIH-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1cccc(C#N)c1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000736822423 574807765 /nfs/dbraw/zinc/80/77/65/574807765.db2.gz NNOUIBNZUTXXIH-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CCOc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737205761 574827026 /nfs/dbraw/zinc/82/70/26/574827026.db2.gz QOHPUFWZGLTWFJ-GOSISDBHSA-N -1 3 324.380 3.215 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737381474 574840911 /nfs/dbraw/zinc/84/09/11/574840911.db2.gz JJPOZOMYQJLKBE-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737381474 574840913 /nfs/dbraw/zinc/84/09/13/574840913.db2.gz JJPOZOMYQJLKBE-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC000737995429 574857852 /nfs/dbraw/zinc/85/78/52/574857852.db2.gz RRLKDOFITZUQII-GOSISDBHSA-N -1 3 324.380 3.133 20 30 DGEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC000737995432 574857813 /nfs/dbraw/zinc/85/78/13/574857813.db2.gz RRLKDOFITZUQII-SFHVURJKSA-N -1 3 324.380 3.133 20 30 DGEDHM N#Cc1ccc(CN(CCCC(=O)[O-])Cc2ccccc2)cc1 ZINC000739116499 574892606 /nfs/dbraw/zinc/89/26/06/574892606.db2.gz AMVDXPITPWFCNQ-UHFFFAOYSA-N -1 3 308.381 3.425 20 30 DGEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1cc(F)ccc1F ZINC000740763256 574941574 /nfs/dbraw/zinc/94/15/74/574941574.db2.gz DFCYEXSNIMAFKP-ZTYNIRBVSA-N -1 3 320.339 3.436 20 30 DGEDHM [O-]c1cccc(C=Nc2ccc(N3CCSCC3)cc2)c1O ZINC000741466537 574958604 /nfs/dbraw/zinc/95/86/04/574958604.db2.gz UVLXSMRKCSCUTM-UHFFFAOYSA-N -1 3 314.410 3.402 20 30 DGEDHM CSc1ccc(C(C)=N[N-]c2[nH+]cnc3[n-]cnc32)cc1F ZINC000741762595 574969016 /nfs/dbraw/zinc/96/90/16/574969016.db2.gz PCTODTRSMCDQQF-UHFFFAOYSA-N -1 3 316.365 3.050 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNc1cccc(F)c1F)C(=O)[N-]2 ZINC000743442566 575052064 /nfs/dbraw/zinc/05/20/64/575052064.db2.gz AOZXKMQKAAZNOC-UHFFFAOYSA-N -1 3 305.259 3.181 20 30 DGEDHM CC(C)c1nc(C#N)c([N-]N=Cc2cc3ccccc3[nH]c2=O)o1 ZINC000745624999 575407265 /nfs/dbraw/zinc/40/72/65/575407265.db2.gz RUZZIDXSJRFUDZ-UHFFFAOYSA-N -1 3 321.340 3.369 20 30 DGEDHM [O-]c1c(O)ccc(C=NNc2cccc(Br)c2)c1O ZINC000745988470 575426218 /nfs/dbraw/zinc/42/62/18/575426218.db2.gz XOVPNZOBQZGWKA-UHFFFAOYSA-N -1 3 323.146 3.012 20 30 DGEDHM N#Cc1ccc(C(=O)COC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000748238516 575574560 /nfs/dbraw/zinc/57/45/60/575574560.db2.gz WEXPUZGDEFZOOQ-UHFFFAOYSA-N -1 3 310.334 3.141 20 30 DGEDHM N#Cc1cccc(OCCCOC(=O)c2ccc(F)cc2[O-])c1 ZINC000750170828 575709796 /nfs/dbraw/zinc/70/97/96/575709796.db2.gz WOLUZLXLZASZIM-UHFFFAOYSA-N -1 3 315.300 3.029 20 30 DGEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCCc3sccc3C2)cc1 ZINC000739106970 575958063 /nfs/dbraw/zinc/95/80/63/575958063.db2.gz VANHPNSCNGWBRC-MRXNPFEDSA-N -1 3 312.394 3.194 20 30 DGEDHM CCCC(=O)Nc1ccc([O-])c(C(C)=NNC2CCCC2)c1 ZINC000727652065 576136841 /nfs/dbraw/zinc/13/68/41/576136841.db2.gz ICNMRUDRJJAXLF-UHFFFAOYSA-N -1 3 303.406 3.387 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CCCCCc2ccccc2)c1[O-] ZINC000727653090 576136934 /nfs/dbraw/zinc/13/69/34/576136934.db2.gz DCFHDVRQHJEBHD-DEDYPNTBSA-N -1 3 312.413 3.420 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cccc(OCC#N)c2)ccc1[O-] ZINC000727744630 576143361 /nfs/dbraw/zinc/14/33/61/576143361.db2.gz UKTJHBKSGZFFDX-FNORWQNLSA-N -1 3 309.321 3.199 20 30 DGEDHM Cc1nc2sccc2c(=O)n1N=Cc1cc(Cl)ccc1[O-] ZINC000917579494 620676822 /nfs/dbraw/zinc/67/68/22/620676822.db2.gz ADZGUWVSVDXQPK-UHFFFAOYSA-N -1 3 319.773 3.008 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cc(F)ccc1Br ZINC000846551168 617770684 /nfs/dbraw/zinc/77/06/84/617770684.db2.gz XLYWMTDFPSPPFE-SECBINFHSA-N -1 3 316.170 3.143 20 30 DGEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])C(=O)Nc1ccccc1 ZINC000111998028 620778963 /nfs/dbraw/zinc/77/89/63/620778963.db2.gz VYGKBXHLSDGORZ-VDCVXVNISA-N -1 3 302.761 3.492 20 30 DGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000920386474 620798454 /nfs/dbraw/zinc/79/84/54/620798454.db2.gz AHBHDCLBWKFIFN-UHFFFAOYSA-N -1 3 322.817 3.184 20 30 DGEDHM Cc1cc(F)c(C#N)c(NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000894966707 618504114 /nfs/dbraw/zinc/50/41/14/618504114.db2.gz VKBXOYXVTKEPNZ-UHFFFAOYSA-N -1 3 312.348 3.381 20 30 DGEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000854581556 620820037 /nfs/dbraw/zinc/82/00/37/620820037.db2.gz PAOASWVLOZQCLA-CQSZACIVSA-N -1 3 318.377 3.178 20 30 DGEDHM CC[C@H](NCc1cn2c(cccc2C)n1)c1cccc(C#N)c1[O-] ZINC000925020021 618765713 /nfs/dbraw/zinc/76/57/13/618765713.db2.gz PFVRGSSEOOXTGR-KRWDZBQOSA-N -1 3 320.396 3.461 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2cc(C3CC3)ccc2F)c1[O-] ZINC000840706791 618975576 /nfs/dbraw/zinc/97/55/76/618975576.db2.gz KEKGAYOBEIMHQT-UKWGHVSLSA-N -1 3 314.360 3.224 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCC[C@@H]1CCOC1 ZINC000840711595 619015610 /nfs/dbraw/zinc/01/56/10/619015610.db2.gz XXVRHQNDSDQHSS-LKBVRNOZSA-N -1 3 312.207 3.390 20 30 DGEDHM Cc1ocnc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096170 619404544 /nfs/dbraw/zinc/40/45/44/619404544.db2.gz ULZFVZNRGNNGEI-UHFFFAOYSA-N 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GWCYSEMSDRZBPF-GQCTYLIASA-N -1 3 314.410 3.120 20 30 DGEDHM C#CCOc1cccc(Cl)c1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000901702197 619535135 /nfs/dbraw/zinc/53/51/35/619535135.db2.gz XNTVRKXLXKLZKR-KRWDZBQOSA-N -1 3 321.804 3.039 20 30 DGEDHM C=CCN(Cc1ccc(C(=O)[O-])c(Br)c1)C1CC1 ZINC000902527855 619649238 /nfs/dbraw/zinc/64/92/38/619649238.db2.gz MONSYPPRTNMYRG-UHFFFAOYSA-N -1 3 310.191 3.298 20 30 DGEDHM C=CCOc1ccc(CN2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cc1Cl ZINC000902555016 619651410 /nfs/dbraw/zinc/65/14/10/619651410.db2.gz UHCXWWKHCYLJMZ-DVOMOZLQSA-N -1 3 321.804 3.057 20 30 DGEDHM N#Cc1cc(Cl)cc(CN2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000903409628 619772152 /nfs/dbraw/zinc/77/21/52/619772152.db2.gz ZZIJQSBRLNBPLS-OAHLLOKOSA-N -1 3 306.793 3.431 20 30 DGEDHM O=C([C@@H]1CCc2nc[nH]c2C1)N([O-])Cc1cccc2ccccc21 ZINC000904172441 619892026 /nfs/dbraw/zinc/89/20/26/619892026.db2.gz AUNXCAXXSIKHSY-CQSZACIVSA-N -1 3 321.380 3.086 20 30 DGEDHM O=C([C@@H]1CCc2[nH]cnc2C1)N([O-])Cc1cccc2ccccc21 ZINC000904172441 619892030 /nfs/dbraw/zinc/89/20/30/619892030.db2.gz AUNXCAXXSIKHSY-CQSZACIVSA-N -1 3 321.380 3.086 20 30 DGEDHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000904173719 619892059 /nfs/dbraw/zinc/89/20/59/619892059.db2.gz SWMVSCSSNFNJPE-IAGOWNOFSA-N -1 3 321.380 3.095 20 30 DGEDHM CC(C)[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1cccnc1 ZINC000904173665 619892102 /nfs/dbraw/zinc/89/21/02/619892102.db2.gz NZBVLQUNKAEFBQ-MRXNPFEDSA-N -1 3 302.349 3.378 20 30 DGEDHM CCC(CC)n1ccc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000904174194 619892457 /nfs/dbraw/zinc/89/24/57/619892457.db2.gz WHTYUZMJARJTTF-UHFFFAOYSA-N -1 3 305.353 3.415 20 30 DGEDHM CCCCn1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)n1 ZINC000904174340 619892637 /nfs/dbraw/zinc/89/26/37/619892637.db2.gz ZMFMRKVDCIUGHH-UHFFFAOYSA-N -1 3 305.353 3.162 20 30 DGEDHM COc1ccccc1[C@@H]1C[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177683 619893136 /nfs/dbraw/zinc/89/31/36/619893136.db2.gz LJSLRXVWVBXTJH-JKSUJKDBSA-N -1 3 315.344 3.356 20 30 DGEDHM CO[C@H](CC(=O)N([O-])Cc1ccccc1Cl)C(F)(F)F ZINC000904192450 619895563 /nfs/dbraw/zinc/89/55/63/619895563.db2.gz MHLUSUZLEUVOGA-SNVBAGLBSA-N -1 3 311.687 3.025 20 30 DGEDHM O=C(Cc1ncccc1F)N([O-])CCCCc1ccccc1 ZINC000904195243 619896017 /nfs/dbraw/zinc/89/60/17/619896017.db2.gz ACEXSTJWTARKGD-UHFFFAOYSA-N -1 3 302.349 3.004 20 30 DGEDHM C[C@@H](CC(=O)N([O-])CCCCc1ccccc1)n1cccn1 ZINC000904195557 619896403 /nfs/dbraw/zinc/89/64/03/619896403.db2.gz IKGZUWJAULCMGI-HNNXBMFYSA-N -1 3 301.390 3.075 20 30 DGEDHM C[C@@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CCC1=O ZINC000904197167 619896827 /nfs/dbraw/zinc/89/68/27/619896827.db2.gz UKWNJGJAPVUAJM-ZBFHGGJFSA-N -1 3 303.402 3.232 20 30 DGEDHM CCC1(C(=O)N([O-])CCCCc2ccccc2)CCOCC1 ZINC000904197632 619896873 /nfs/dbraw/zinc/89/68/73/619896873.db2.gz JMFNWYHEZGCIMZ-UHFFFAOYSA-N -1 3 305.418 3.434 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H](NC(C)=O)c1ccccc1 ZINC000904205508 619898756 /nfs/dbraw/zinc/89/87/56/619898756.db2.gz KOYHBDOJKBXHQO-INIZCTEOSA-N -1 3 306.406 3.052 20 30 DGEDHM C#CCOc1ccccc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000905009301 619964945 /nfs/dbraw/zinc/96/49/45/619964945.db2.gz PPTPICATNHSYMK-MSOLQXFVSA-N -1 3 321.376 3.101 20 30 DGEDHM CC[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000907384288 620154153 /nfs/dbraw/zinc/15/41/53/620154153.db2.gz MLVNOWILBBVCGZ-SNVBAGLBSA-N -1 3 320.261 3.497 20 30 DGEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCc3ccccc32)c1[O-] ZINC000912961807 620416144 /nfs/dbraw/zinc/41/61/44/620416144.db2.gz GVXIQTWXWDBJCJ-PFHZTYADSA-N -1 3 310.397 3.127 20 30 DGEDHM Cc1ncc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)s1 ZINC000913655800 620468634 /nfs/dbraw/zinc/46/86/34/620468634.db2.gz AESMEWKGYVCSJV-VIFPVBQESA-N -1 3 321.352 3.292 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CC(=O)[N-]OCCCC(F)(F)F ZINC000913727443 620475279 /nfs/dbraw/zinc/47/52/79/620475279.db2.gz FBCCFOWZYKJQRW-UHFFFAOYSA-N -1 3 314.307 3.108 20 30 DGEDHM O=C1Nc2ccc(F)cc2C1=N[N-]c1ncccc1C(F)(F)F ZINC000915050443 620565502 /nfs/dbraw/zinc/56/55/02/620565502.db2.gz PYAGEPOMFNXKMU-UHFFFAOYSA-N -1 3 324.237 3.008 20 30 DGEDHM C#Cc1cccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000915186194 620572098 /nfs/dbraw/zinc/57/20/98/620572098.db2.gz PXQBRPWCLPLOBG-UHFFFAOYSA-N -1 3 315.394 3.094 20 30 DGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc(Cl)cc1Cl ZINC000915953873 620608438 /nfs/dbraw/zinc/60/84/38/620608438.db2.gz WRHOCDJUHHJBCU-UHFFFAOYSA-N -1 3 322.151 3.467 20 30 DGEDHM CC1(C)Oc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2O1 ZINC000915983053 620611208 /nfs/dbraw/zinc/61/12/08/620611208.db2.gz OJWVJAUMCBVNAW-UHFFFAOYSA-N -1 3 301.298 3.061 20 30 DGEDHM C=C(Br)C[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000921042181 620835086 /nfs/dbraw/zinc/83/50/86/620835086.db2.gz OYQAUNLHSMTQKK-UHFFFAOYSA-N -1 3 324.552 3.457 20 30 DGEDHM C#CCO[N-]C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000855604011 620917533 /nfs/dbraw/zinc/91/75/33/620917533.db2.gz XOOVCSSVGUSFCX-CHWSQXEVSA-N -1 3 312.394 3.027 20 30 DGEDHM CC(=N[N-]c1nc2cccnc2s1)c1cc2n(n1)CCCC2 ZINC000857218863 621069835 /nfs/dbraw/zinc/06/98/35/621069835.db2.gz XHIMNKBBSGMSJB-UHFFFAOYSA-N -1 3 312.402 3.060 20 30 DGEDHM N#CC[C@@H](NCc1c([O-])cccc1Br)C(F)(F)F ZINC000922650107 621073824 /nfs/dbraw/zinc/07/38/24/621073824.db2.gz LHALSGRCYZIJQV-SNVBAGLBSA-N -1 3 323.112 3.089 20 30 DGEDHM N#CC1(COC(=O)c2cc([O-])cc(Br)c2)CCC1 ZINC000860201954 621381420 /nfs/dbraw/zinc/38/14/20/621381420.db2.gz NKHZSSXSZBWPOK-UHFFFAOYSA-N -1 3 310.147 3.005 20 30 DGEDHM CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2ccccc2c1[O-] ZINC000753936547 621472726 /nfs/dbraw/zinc/47/27/26/621472726.db2.gz VUDHKUJHFYSTNL-IRXDYDNUSA-N -1 3 322.412 3.129 20 30 DGEDHM [O-]c1ccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)cc1F ZINC000755631777 621582553 /nfs/dbraw/zinc/58/25/53/621582553.db2.gz PBCWBSDJRBKZQX-UHFFFAOYSA-N -1 3 306.247 3.132 20 30 DGEDHM C[C@@H](NCc1ccc(C#N)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756544242 621646427 /nfs/dbraw/zinc/64/64/27/621646427.db2.gz UMRBMGKSYYRZLX-SNVBAGLBSA-N -1 3 315.304 3.162 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000757570344 621725308 /nfs/dbraw/zinc/72/53/08/621725308.db2.gz WRYHBTVLKPXRMD-CQSZACIVSA-N -1 3 323.396 3.447 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CO[C@H](C2CC2)C1 ZINC000864345878 621758914 /nfs/dbraw/zinc/75/89/14/621758914.db2.gz IDTHGJFPUXUWJY-ZTGQCEMHSA-N -1 3 310.191 3.141 20 30 DGEDHM C=C(C)C[C@@H](NCc1c(Cl)cccc1OC(F)F)C(=O)[O-] ZINC000864529523 621780142 /nfs/dbraw/zinc/78/01/42/621780142.db2.gz IVRVJPBALHJKMQ-LLVKDONJSA-N -1 3 319.735 3.450 20 30 DGEDHM C=C(C)C[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000864530077 621780278 /nfs/dbraw/zinc/78/02/78/621780278.db2.gz RTBXKUBWMHJIKN-AWEZNQCLSA-N -1 3 320.389 3.458 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccnn2CC2CCC2)ccc1[O-] ZINC000865218102 621874258 /nfs/dbraw/zinc/87/42/58/621874258.db2.gz QTGJJUUBYKCVKC-VURMDHGXSA-N -1 3 312.369 3.294 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccccc1 ZINC000120556882 621916521 /nfs/dbraw/zinc/91/65/21/621916521.db2.gz FGVDJKKJXKFEAK-CQSZACIVSA-N -1 3 324.380 3.100 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(C#N)cc2)c(OC)cc1[O-] ZINC000122524109 622344579 /nfs/dbraw/zinc/34/45/79/622344579.db2.gz YZZKYLZQNHSIKU-BQYQJAHWSA-N -1 3 309.321 3.177 20 30 DGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CC[C@@H]1c1ccccc1 ZINC000769781094 622559252 /nfs/dbraw/zinc/55/92/52/622559252.db2.gz VVGSZTZMIHZYRL-MRXNPFEDSA-N -1 3 314.410 3.040 20 30 DGEDHM CCc1nn(C)cc1/C=C1/C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000770570825 622646445 /nfs/dbraw/zinc/64/64/45/622646445.db2.gz KKWBSJZAQMLULB-FKVCUQLRSA-N -1 3 300.333 3.211 20 30 DGEDHM COc1ccc(CCC(=O)[N-]O[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000871797850 622702152 /nfs/dbraw/zinc/70/21/52/622702152.db2.gz GBKPJCFLVHMSMD-CQSZACIVSA-N -1 3 324.380 3.308 20 30 DGEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000771580217 622777219 /nfs/dbraw/zinc/77/72/19/622777219.db2.gz YBNDQECTXTXRGT-WBSSQXGSSA-N -1 3 312.753 3.003 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2ccc(Cl)s2)c1 ZINC000776275592 623405020 /nfs/dbraw/zinc/40/50/20/623405020.db2.gz URHXRVWNTBFNQB-UHFFFAOYSA-N -1 3 321.741 3.018 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCOc2ccc(Cl)cc2)c1 ZINC000776280633 623406702 /nfs/dbraw/zinc/40/67/02/623406702.db2.gz VIJDNIMVWHIDOY-UHFFFAOYSA-N -1 3 317.728 3.153 20 30 DGEDHM C#CC[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000777719432 623561005 /nfs/dbraw/zinc/56/10/05/623561005.db2.gz DDPTYGCYFKTACE-SFHVURJKSA-N -1 3 319.360 3.353 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCSC1 ZINC000790599524 625675681 /nfs/dbraw/zinc/67/56/81/625675681.db2.gz ZXERSFWERXQILY-CULDGANSSA-N -1 3 300.221 3.327 20 30 DGEDHM CCOc1cc(C=NNc2ccnc(F)c2)cc(Cl)c1[O-] ZINC000781132689 624027335 /nfs/dbraw/zinc/02/73/35/624027335.db2.gz HBEKXTOVWBOCSG-UHFFFAOYSA-N -1 3 309.728 3.424 20 30 DGEDHM C=C(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)c(F)c1 ZINC000790937392 625719048 /nfs/dbraw/zinc/71/90/48/625719048.db2.gz MEAYTYHSIUNQJR-OAHLLOKOSA-N -1 3 319.307 3.423 20 30 DGEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000797455717 626144480 /nfs/dbraw/zinc/14/44/80/626144480.db2.gz DJHGZWNVGBFVCB-SNVBAGLBSA-N -1 3 306.214 3.074 20 30 DGEDHM COc1ccccc1CO[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000799095336 626270996 /nfs/dbraw/zinc/27/09/96/626270996.db2.gz JCYRUSGFNDUKFQ-MRXNPFEDSA-N -1 3 324.380 3.331 20 30 DGEDHM Cc1ccc2c(c1)[C@@H](/N=C/c1c([O-])c(C)ncc1CO)CCC2 ZINC000806552381 626720026 /nfs/dbraw/zinc/72/00/26/626720026.db2.gz SJOTVYUGYMMGDU-FWOHHPOZSA-N -1 3 310.397 3.393 20 30 DGEDHM C=CC(C)(C)CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000884649974 626921588 /nfs/dbraw/zinc/92/15/88/626921588.db2.gz VDANVIXTHMJKHV-UHFFFAOYSA-N -1 3 302.330 3.088 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc3sccc3c2)c1[O-] ZINC000811624546 627296622 /nfs/dbraw/zinc/29/66/22/627296622.db2.gz IKTOMIKCDBZBEF-GIJQJNRQSA-N -1 3 312.394 3.422 20 30 DGEDHM C[C@H](COc1ccccc1)NN=Cc1c(F)ccc([O-])c1F ZINC000811667501 627304448 /nfs/dbraw/zinc/30/44/48/627304448.db2.gz WUBYKIRESJXAIX-LLVKDONJSA-N -1 3 306.312 3.061 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H](CCCC#N)c2ccccc2)c1[O-] ZINC000814184338 627547910 /nfs/dbraw/zinc/54/79/10/627547910.db2.gz ZLPJNTPGPUANGQ-AIRTYWKNSA-N -1 3 323.396 3.442 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnn(CC(F)F)c1 ZINC000814187365 627548545 /nfs/dbraw/zinc/54/85/45/627548545.db2.gz HSCUJDRYBRDZDK-HDPPJLHVSA-N -1 3 322.286 3.376 20 30 DGEDHM CC[C@H](N[C@@H](CCO)c1ccco1)c1cccc(C#N)c1[O-] ZINC000926195894 627859257 /nfs/dbraw/zinc/85/92/57/627859257.db2.gz GOEHDMGTFOSTFE-GJZGRUSLSA-N -1 3 300.358 3.021 20 30 DGEDHM C=C(C)CSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819722581 628182916 /nfs/dbraw/zinc/18/29/16/628182916.db2.gz NEXLLZOZROSXEU-UHFFFAOYSA-N -1 3 312.345 3.277 20 30 DGEDHM C=C(C)CSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819722581 628182922 /nfs/dbraw/zinc/18/29/22/628182922.db2.gz NEXLLZOZROSXEU-UHFFFAOYSA-N -1 3 312.345 3.277 20 30 DGEDHM CC(C)Oc1ccc(N=Cc2ccccc2O)cc1-c1nnn[n-]1 ZINC000820155550 628229912 /nfs/dbraw/zinc/22/99/12/628229912.db2.gz RTKVVSXAYVRQQM-UHFFFAOYSA-N -1 3 323.356 3.110 20 30 DGEDHM CC(C)Oc1ccc(N=Cc2ccccc2O)cc1-c1nn[n-]n1 ZINC000820155550 628229914 /nfs/dbraw/zinc/22/99/14/628229914.db2.gz RTKVVSXAYVRQQM-UHFFFAOYSA-N -1 3 323.356 3.110 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCC(C)(C)C1 ZINC000820210284 628234989 /nfs/dbraw/zinc/23/49/89/628234989.db2.gz ZKOAMWGVMPUPHW-CYBMUJFWSA-N -1 3 316.401 3.330 20 30 DGEDHM C[C@H](Nc1ccc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820455149 628260859 /nfs/dbraw/zinc/26/08/59/628260859.db2.gz FIYHSLGBRDKLLJ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1ccc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820455149 628260862 /nfs/dbraw/zinc/26/08/62/628260862.db2.gz FIYHSLGBRDKLLJ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM CON=Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000820510598 628267520 /nfs/dbraw/zinc/26/75/20/628267520.db2.gz RPLHIMJPTTVGOQ-UHFFFAOYSA-N -1 3 304.733 3.278 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820577022 628273921 /nfs/dbraw/zinc/27/39/21/628273921.db2.gz GXAKVUJLZXFPKP-RIYZIHGNSA-N -1 3 322.393 3.486 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820577022 628273926 /nfs/dbraw/zinc/27/39/26/628273926.db2.gz GXAKVUJLZXFPKP-RIYZIHGNSA-N -1 3 322.393 3.486 20 30 DGEDHM CCCCCCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821048654 628331475 /nfs/dbraw/zinc/33/14/75/628331475.db2.gz FCSLCTITSSVKIN-ZDUSSCGKSA-N -1 3 315.421 3.404 20 30 DGEDHM CCCCCCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821048654 628331479 /nfs/dbraw/zinc/33/14/79/628331479.db2.gz FCSLCTITSSVKIN-ZDUSSCGKSA-N -1 3 315.421 3.404 20 30 DGEDHM CCCCCC[C@@H](C)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821050389 628331895 /nfs/dbraw/zinc/33/18/95/628331895.db2.gz RLJOUOONLXRYPZ-CYBMUJFWSA-N -1 3 300.410 3.149 20 30 DGEDHM CCCCCC[C@@H](C)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821050389 628331900 /nfs/dbraw/zinc/33/19/00/628331900.db2.gz RLJOUOONLXRYPZ-CYBMUJFWSA-N -1 3 300.410 3.149 20 30 DGEDHM N#CC(=C([O-])C=C[C@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000821177660 628343381 /nfs/dbraw/zinc/34/33/81/628343381.db2.gz HZZJNXONVILXLM-BKGLOODYSA-N -1 3 310.275 3.012 20 30 DGEDHM CCOc1cccc(C=Nc2cccc(-c3nnn[n-]3)c2C)c1O ZINC000821427208 628367437 /nfs/dbraw/zinc/36/74/37/628367437.db2.gz OJLJEEVDOOFZGN-UHFFFAOYSA-N -1 3 323.356 3.030 20 30 DGEDHM CCOc1cccc(C=Nc2cccc(-c3nn[n-]n3)c2C)c1O ZINC000821427208 628367439 /nfs/dbraw/zinc/36/74/39/628367439.db2.gz OJLJEEVDOOFZGN-UHFFFAOYSA-N -1 3 323.356 3.030 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822204385 628428916 /nfs/dbraw/zinc/42/89/16/628428916.db2.gz NHWJXWDETFIPOD-UTCJRWHESA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000822225082 628430722 /nfs/dbraw/zinc/43/07/22/628430722.db2.gz NIWDKDHNGBWISE-ONEGZZNKSA-N -1 3 302.384 3.194 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000822225082 628430725 /nfs/dbraw/zinc/43/07/25/628430725.db2.gz NIWDKDHNGBWISE-ONEGZZNKSA-N -1 3 302.384 3.194 20 30 DGEDHM Cc1ccc(C)c(NN=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822232283 628431779 /nfs/dbraw/zinc/43/17/79/628431779.db2.gz ZPVFGTZOMMZTQH-UHFFFAOYSA-N -1 3 310.336 3.069 20 30 DGEDHM Cc1ccc(C)c(NN=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822232283 628431781 /nfs/dbraw/zinc/43/17/81/628431781.db2.gz ZPVFGTZOMMZTQH-UHFFFAOYSA-N -1 3 310.336 3.069 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000822274534 628434815 /nfs/dbraw/zinc/43/48/15/628434815.db2.gz ACIIQIMFCJLCLC-FLIBITNWSA-N -1 3 308.366 3.059 20 30 DGEDHM Clc1ccc2c(c1)CC(N=Nc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822582113 628467429 /nfs/dbraw/zinc/46/74/29/628467429.db2.gz QDESGJDRVWCZHL-UHFFFAOYSA-N -1 3 324.775 3.087 20 30 DGEDHM Clc1ccc2c(c1)CC(N=Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822582113 628467432 /nfs/dbraw/zinc/46/74/32/628467432.db2.gz QDESGJDRVWCZHL-UHFFFAOYSA-N -1 3 324.775 3.087 20 30 DGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(Cl)cc1 ZINC000822741320 628487989 /nfs/dbraw/zinc/48/79/89/628487989.db2.gz UWRKOYIWBAQWOY-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(Cl)cc1 ZINC000822741320 628487990 /nfs/dbraw/zinc/48/79/90/628487990.db2.gz UWRKOYIWBAQWOY-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#Cc1cc(CSc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822819358 628498717 /nfs/dbraw/zinc/49/87/17/628498717.db2.gz RGFIXTLRYNWCDT-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cc(CSc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000822819358 628498718 /nfs/dbraw/zinc/49/87/18/628498718.db2.gz RGFIXTLRYNWCDT-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(F)cc1CSc1ccccc1-c1nnn[n-]1 ZINC000822830266 628499587 /nfs/dbraw/zinc/49/95/87/628499587.db2.gz ZVAGLMPONVDKJO-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(F)cc1CSc1ccccc1-c1nn[n-]n1 ZINC000822830266 628499588 /nfs/dbraw/zinc/49/95/88/628499588.db2.gz ZVAGLMPONVDKJO-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(SCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822836952 628500816 /nfs/dbraw/zinc/50/08/16/628500816.db2.gz BQNSQQIXSQHPTP-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(SCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822836952 628500817 /nfs/dbraw/zinc/50/08/17/628500817.db2.gz BQNSQQIXSQHPTP-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC000822921933 628509394 /nfs/dbraw/zinc/50/93/94/628509394.db2.gz APJGGIGOLXWSFO-FNORWQNLSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1F ZINC000822921957 628509571 /nfs/dbraw/zinc/50/95/71/628509571.db2.gz BHGUTRUBHYOXHE-FPLPWBNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1F ZINC000822921957 628509577 /nfs/dbraw/zinc/50/95/77/628509577.db2.gz BHGUTRUBHYOXHE-FPLPWBNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc(F)ccc1F ZINC000822922310 628509664 /nfs/dbraw/zinc/50/96/64/628509664.db2.gz FMGQVLZDRZYPPB-DJWKRKHSSA-N -1 3 318.308 3.103 20 30 DGEDHM CC(=NNc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823958146 628613467 /nfs/dbraw/zinc/61/34/67/628613467.db2.gz FCQNNGZSOPVXEE-UHFFFAOYSA-N -1 3 312.402 3.381 20 30 DGEDHM CC(=NNc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958608 628614234 /nfs/dbraw/zinc/61/42/34/628614234.db2.gz SLLPRGDJKMGRHC-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC(=NNc1cc(C)ccc1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958608 628614238 /nfs/dbraw/zinc/61/42/38/628614238.db2.gz SLLPRGDJKMGRHC-UHFFFAOYSA-N -1 3 324.363 3.459 20 30 DGEDHM CC1(C)CCCC(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000824802449 628695191 /nfs/dbraw/zinc/69/51/91/628695191.db2.gz MZRBIRXMVFTZEJ-FLIBITNWSA-N -1 3 300.337 3.168 20 30 DGEDHM CC1(C)CCCC(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000824802449 628695193 /nfs/dbraw/zinc/69/51/93/628695193.db2.gz MZRBIRXMVFTZEJ-FLIBITNWSA-N -1 3 300.337 3.168 20 30 DGEDHM C[C@H]1C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCC[C@@H]1C ZINC000824925466 628707083 /nfs/dbraw/zinc/70/70/83/628707083.db2.gz CXWGQECSWLBWPJ-DTWKUNHWSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCC[C@@H]1C ZINC000824925466 628707085 /nfs/dbraw/zinc/70/70/85/628707085.db2.gz CXWGQECSWLBWPJ-DTWKUNHWSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@H]1C ZINC000824925467 628707279 /nfs/dbraw/zinc/70/72/79/628707279.db2.gz CXWGQECSWLBWPJ-IUCAKERBSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@H]1C ZINC000824925467 628707281 /nfs/dbraw/zinc/70/72/81/628707281.db2.gz CXWGQECSWLBWPJ-IUCAKERBSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCCC[C@H]1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824936985 628708640 /nfs/dbraw/zinc/70/86/40/628708640.db2.gz NVRHNFJRSNLGKD-ZJUUUORDSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCCC[C@H]1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824936985 628708643 /nfs/dbraw/zinc/70/86/43/628708643.db2.gz NVRHNFJRSNLGKD-ZJUUUORDSA-N -1 3 319.800 3.139 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCCCC1 ZINC000824991197 628714315 /nfs/dbraw/zinc/71/43/15/628714315.db2.gz SYEPAQMCVWPMLL-UHFFFAOYSA-N -1 3 308.328 3.130 20 30 DGEDHM CCCCCCCCCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825271786 628745616 /nfs/dbraw/zinc/74/56/16/628745616.db2.gz OGRALDJIJZKLHB-UHFFFAOYSA-N -1 3 318.425 3.065 20 30 DGEDHM CCCCCCCCCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825271786 628745620 /nfs/dbraw/zinc/74/56/20/628745620.db2.gz OGRALDJIJZKLHB-UHFFFAOYSA-N -1 3 318.425 3.065 20 30 DGEDHM CCOc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000825648791 628782286 /nfs/dbraw/zinc/78/22/86/628782286.db2.gz CUYXULIJTKWEBA-KHPPLWFESA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000825648791 628782290 /nfs/dbraw/zinc/78/22/90/628782290.db2.gz CUYXULIJTKWEBA-KHPPLWFESA-N -1 3 320.352 3.162 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826289372 628840499 /nfs/dbraw/zinc/84/04/99/628840499.db2.gz XQOCRNKGECXOAO-UITAMQMPSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289372 628840501 /nfs/dbraw/zinc/84/05/01/628840501.db2.gz XQOCRNKGECXOAO-UITAMQMPSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1oc2ccccc2c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826342545 628845647 /nfs/dbraw/zinc/84/56/47/628845647.db2.gz PKWXHCRHJGDQHL-UHFFFAOYSA-N -1 3 318.340 3.367 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(F)c1F ZINC000826399600 628849973 /nfs/dbraw/zinc/84/99/73/628849973.db2.gz ADQQXZJOZOMQPH-PLNGDYQASA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(F)c1F ZINC000826399600 628849974 /nfs/dbraw/zinc/84/99/74/628849974.db2.gz ADQQXZJOZOMQPH-PLNGDYQASA-N -1 3 318.308 3.103 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475479 628853012 /nfs/dbraw/zinc/85/30/12/628853012.db2.gz GZTYDKSNESMKRJ-JYRVWZFOSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475479 628853015 /nfs/dbraw/zinc/85/30/15/628853015.db2.gz GZTYDKSNESMKRJ-JYRVWZFOSA-N -1 3 320.327 3.218 20 30 DGEDHM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827055153 628917302 /nfs/dbraw/zinc/91/73/02/628917302.db2.gz XBZWFHURHMRHSS-GOSISDBHSA-N -1 3 324.380 3.261 20 30 DGEDHM CSc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832777462 629514112 /nfs/dbraw/zinc/51/41/12/629514112.db2.gz NHHHFJYLSQJZCJ-MRXNPFEDSA-N -1 3 312.394 3.196 20 30 DGEDHM C[C@H](Oc1ccc(CN(C)Cc2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833538561 629617970 /nfs/dbraw/zinc/61/79/70/629617970.db2.gz TWLLBLGNSAJSLN-AWEZNQCLSA-N -1 3 324.380 3.042 20 30 DGEDHM C=CCO[N-]C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000837049755 630206746 /nfs/dbraw/zinc/20/67/46/630206746.db2.gz QAQCRWXYGSWYSL-VIFPVBQESA-N -1 3 316.170 3.316 20 30 DGEDHM N#CCCCCOC(=O)c1cc(Br)c(F)cc1[O-] ZINC000837780798 630311369 /nfs/dbraw/zinc/31/13/69/630311369.db2.gz RPLILLSYHFWRLT-UHFFFAOYSA-N -1 3 316.126 3.144 20 30 DGEDHM CC(C)(O)C(C)(C)C/N=C\c1cc(Br)ccc1[O-] ZINC000840711421 630350955 /nfs/dbraw/zinc/35/09/55/630350955.db2.gz XERYCAQMIFXCNG-PXNMLYILSA-N -1 3 314.223 3.371 20 30 DGEDHM CSC=CC([O-])=C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000845839597 631198411 /nfs/dbraw/zinc/19/84/11/631198411.db2.gz YSFDXECXASHLPZ-JMEBYUIHSA-N -1 3 305.424 3.395 20 30 DGEDHM Cc1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)o1 ZINC000845841470 631198570 /nfs/dbraw/zinc/19/85/70/631198570.db2.gz NNUHGEKJQSGBSZ-MRXNPFEDSA-N -1 3 307.349 3.140 20 30 DGEDHM Cc1nc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)cs1 ZINC000845842950 631198767 /nfs/dbraw/zinc/19/87/67/631198767.db2.gz WIUIJOQTVIQZEA-HNNXBMFYSA-N -1 3 324.405 3.004 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1cccc(Br)c1 ZINC000846550451 631259054 /nfs/dbraw/zinc/25/90/54/631259054.db2.gz XACMSQYKBOAJIT-LLVKDONJSA-N -1 3 312.207 3.394 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCCSc1cccc(OC)c1 ZINC000849888086 631997213 /nfs/dbraw/zinc/99/72/13/631997213.db2.gz WVAYCRGQNKZWPS-UHFFFAOYSA-N -1 3 323.443 3.063 20 30 DGEDHM C=CC(C)(C)CCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000851298469 632367354 /nfs/dbraw/zinc/36/73/54/632367354.db2.gz CNXWUODELQKNDS-UHFFFAOYSA-N -1 3 316.401 3.354 20 30 DGEDHM [O-]c1ccc(F)c(CN=Nc2nncc3ccccc32)c1F ZINC000794465121 661086137 /nfs/dbraw/zinc/08/61/37/661086137.db2.gz KHUFMMVOFSEWBC-UHFFFAOYSA-N -1 3 300.268 3.060 20 30 DGEDHM [O-]c1ccc(F)c(C=NNc2cnc3ccccc3n2)c1F ZINC000794506364 661088152 /nfs/dbraw/zinc/08/81/52/661088152.db2.gz MGTOIIXRYZAULF-UHFFFAOYSA-N -1 3 300.268 3.060 20 30 DGEDHM O=C1c2cc(F)ccc2OC/C1=C/c1c(F)ccc([O-])c1F ZINC000794941984 661115331 /nfs/dbraw/zinc/11/53/31/661115331.db2.gz DWYVIANYRSURDI-YVMONPNESA-N -1 3 306.239 3.468 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2[nH]nc3c2cccc3Cl)c1O ZINC000255028191 655565813 /nfs/dbraw/zinc/56/58/13/655565813.db2.gz UEBHJMZVTSZVSY-UHFFFAOYSA-N -1 3 303.705 3.084 20 30 DGEDHM CC(C)(C)C[C@H](O)C/N=C\c1cc(Br)ccc1[O-] ZINC000255200674 655672947 /nfs/dbraw/zinc/67/29/47/655672947.db2.gz ZAZOBKASGYSFQC-LUMBYOQCSA-N -1 3 314.223 3.371 20 30 DGEDHM Cn1c2ccc(N=Cc3ccc(O)c([O-])c3O)cc2nc1C1CC1 ZINC000255313724 655697671 /nfs/dbraw/zinc/69/76/71/655697671.db2.gz LQTIZFPSVLSDMK-UHFFFAOYSA-N -1 3 323.352 3.318 20 30 DGEDHM O=C(C1CCCC1)N1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000255672537 655888816 /nfs/dbraw/zinc/88/88/16/655888816.db2.gz PARQEPKHOOYWJB-SMLKNPDNSA-N -1 3 320.820 3.256 20 30 DGEDHM COc1ccc([O-])c(C(=O)N(CCC#N)c2ccc(C)cc2)c1 ZINC000179484094 655893957 /nfs/dbraw/zinc/89/39/57/655893957.db2.gz VWQNIXBAKNLEFL-UHFFFAOYSA-N -1 3 310.353 3.270 20 30 DGEDHM CCOC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)o1 ZINC000255882248 655947501 /nfs/dbraw/zinc/94/75/01/655947501.db2.gz WIPKTINWODXUMR-YVMONPNESA-N -1 3 316.309 3.067 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2cc3ccccc3o2)c1 ZINC000811187921 661231210 /nfs/dbraw/zinc/23/12/10/661231210.db2.gz PRQRLUDGELWZNP-UHFFFAOYSA-N -1 3 321.288 3.050 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(Cl)ccc2Cl)c1 ZINC000811188465 661231263 /nfs/dbraw/zinc/23/12/63/661231263.db2.gz LCMHMDZSERUYOR-UHFFFAOYSA-N -1 3 323.135 3.323 20 30 DGEDHM C=CC[C@@H]1N(C(=O)c2cc3c(cc2[O-])OCO3)CCCC1(C)C ZINC000444644029 659878594 /nfs/dbraw/zinc/87/85/94/659878594.db2.gz MCSAKSOGSCHTBL-INIZCTEOSA-N -1 3 317.385 3.328 20 30 DGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000930688021 661421748 /nfs/dbraw/zinc/42/17/48/661421748.db2.gz ZAGAHKDONGQPRV-CYBMUJFWSA-N -1 3 311.385 3.286 20 30 DGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000930688023 661421820 /nfs/dbraw/zinc/42/18/20/661421820.db2.gz ZAGAHKDONGQPRV-ZDUSSCGKSA-N -1 3 311.385 3.286 20 30 DGEDHM C=CCOc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001583274904 1192140333 /nfs/dbraw/zinc/14/03/33/1192140333.db2.gz RLZPBTBNEKZPEJ-UHFFFAOYSA-N -1 3 301.317 3.277 20 30 DGEDHM C#Cc1ccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)cc1 ZINC001587972192 1192427318 /nfs/dbraw/zinc/42/73/18/1192427318.db2.gz PMHWTKRNXXBCGE-UHFFFAOYSA-N -1 3 321.273 3.354 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588406339 1192446814 /nfs/dbraw/zinc/44/68/14/1192446814.db2.gz TXWGVNORHLUKET-VXGBXAGGSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588406339 1192446817 /nfs/dbraw/zinc/44/68/17/1192446817.db2.gz TXWGVNORHLUKET-VXGBXAGGSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588406833 1192446883 /nfs/dbraw/zinc/44/68/83/1192446883.db2.gz XTKOUKMPHAWLRJ-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588406833 1192446886 /nfs/dbraw/zinc/44/68/86/1192446886.db2.gz XTKOUKMPHAWLRJ-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=CCCCCCN(C)c1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001588594289 1192450965 /nfs/dbraw/zinc/45/09/65/1192450965.db2.gz SDLHUNCVNUQSON-UHFFFAOYSA-N -1 3 313.405 3.252 20 30 DGEDHM C=CCCCCCN(C)c1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001588594289 1192450971 /nfs/dbraw/zinc/45/09/71/1192450971.db2.gz SDLHUNCVNUQSON-UHFFFAOYSA-N -1 3 313.405 3.252 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1csc(Cl)c1 ZINC001588780636 1192453853 /nfs/dbraw/zinc/45/38/53/1192453853.db2.gz IGBYPJJABSELII-UHFFFAOYSA-N -1 3 318.793 3.418 20 30 DGEDHM CC(C)Oc1ccc(NC[C@@H](C)CCC#N)cc1-c1nnn[n-]1 ZINC001589804246 1192474337 /nfs/dbraw/zinc/47/43/37/1192474337.db2.gz XWYVTYSEXYDBON-LBPRGKRZSA-N -1 3 314.393 3.006 20 30 DGEDHM CC(C)Oc1ccc(NC[C@@H](C)CCC#N)cc1-c1nn[n-]n1 ZINC001589804246 1192474340 /nfs/dbraw/zinc/47/43/40/1192474340.db2.gz XWYVTYSEXYDBON-LBPRGKRZSA-N -1 3 314.393 3.006 20 30 DGEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1cc(F)ccc1C#N ZINC001590045943 1192484041 /nfs/dbraw/zinc/48/40/41/1192484041.db2.gz DWEQKAMRHVUTKW-LLVKDONJSA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1cc(F)ccc1C#N ZINC001590045943 1192484042 /nfs/dbraw/zinc/48/40/42/1192484042.db2.gz DWEQKAMRHVUTKW-LLVKDONJSA-N -1 3 322.347 3.075 20 30 DGEDHM CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCCC1 ZINC001590488508 1192514696 /nfs/dbraw/zinc/51/46/96/1192514696.db2.gz LLNODRSRNIGTTH-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCCC1 ZINC001590488508 1192514699 /nfs/dbraw/zinc/51/46/99/1192514699.db2.gz LLNODRSRNIGTTH-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CCCCCCCCNC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001590592488 1192528897 /nfs/dbraw/zinc/52/88/97/1192528897.db2.gz USOZZXJHFMUSHC-UHFFFAOYSA-N -1 3 307.423 3.019 20 30 DGEDHM CCCCCCCC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001590592790 1192530083 /nfs/dbraw/zinc/53/00/83/1192530083.db2.gz JUIAJFIEZWUMBO-UHFFFAOYSA-N -1 3 317.393 3.174 20 30 DGEDHM CCCCCCCC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001590592790 1192530085 /nfs/dbraw/zinc/53/00/85/1192530085.db2.gz JUIAJFIEZWUMBO-UHFFFAOYSA-N -1 3 317.393 3.174 20 30 DGEDHM CCCCCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cn1 ZINC001590592862 1192530130 /nfs/dbraw/zinc/53/01/30/1192530130.db2.gz NDCRNYUOUPCMJN-UHFFFAOYSA-N -1 3 317.393 3.056 20 30 DGEDHM CCCCCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cn1 ZINC001590592862 1192530132 /nfs/dbraw/zinc/53/01/32/1192530132.db2.gz NDCRNYUOUPCMJN-UHFFFAOYSA-N -1 3 317.393 3.056 20 30 DGEDHM CCCCCCCC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590593015 1192530486 /nfs/dbraw/zinc/53/04/86/1192530486.db2.gz SKDZROXMTSWYLI-UHFFFAOYSA-N -1 3 315.421 3.186 20 30 DGEDHM CCCCCCCC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590593015 1192530489 /nfs/dbraw/zinc/53/04/89/1192530489.db2.gz SKDZROXMTSWYLI-UHFFFAOYSA-N -1 3 315.421 3.186 20 30 DGEDHM Cc1cc(C=CC(=O)c2coc(C(C)C)n2)ccc1-c1nnn[n-]1 ZINC001591958220 1192582666 /nfs/dbraw/zinc/58/26/66/1192582666.db2.gz AXQLHJKZDXFXLV-ALCCZGGFSA-N -1 3 323.356 3.183 20 30 DGEDHM Cc1cc(C=CC(=O)c2coc(C(C)C)n2)ccc1-c1nn[n-]n1 ZINC001591958220 1192582671 /nfs/dbraw/zinc/58/26/71/1192582671.db2.gz AXQLHJKZDXFXLV-ALCCZGGFSA-N -1 3 323.356 3.183 20 30 DGEDHM Cc1cc(SCC#Cc2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC001592067187 1192592505 /nfs/dbraw/zinc/59/25/05/1192592505.db2.gz QURXYAUHPLZDHH-UHFFFAOYSA-N -1 3 324.384 3.458 20 30 DGEDHM Cc1cc(SCC#Cc2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC001592067187 1192592507 /nfs/dbraw/zinc/59/25/07/1192592507.db2.gz QURXYAUHPLZDHH-UHFFFAOYSA-N -1 3 324.384 3.458 20 30 DGEDHM Cc1ccc(C)c(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1 ZINC001592139351 1192595752 /nfs/dbraw/zinc/59/57/52/1192595752.db2.gz KLKDAWYHDVKAEI-CXUHLZMHSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc(C)c(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1 ZINC001592139351 1192595757 /nfs/dbraw/zinc/59/57/57/1192595757.db2.gz KLKDAWYHDVKAEI-CXUHLZMHSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cccc2[nH]cc(C=NNc3cccc(-c4nnn[n-]4)c3)c21 ZINC001592241518 1192604016 /nfs/dbraw/zinc/60/40/16/1192604016.db2.gz URFSHKVWYJZIPY-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM Cc1cccc2[nH]cc(C=NNc3cccc(-c4nn[n-]n4)c3)c21 ZINC001592241518 1192604026 /nfs/dbraw/zinc/60/40/26/1192604026.db2.gz URFSHKVWYJZIPY-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM Cc1ccccc1CSc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592257063 1192604549 /nfs/dbraw/zinc/60/45/49/1192604549.db2.gz ALXAXLFRZIRMKX-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccccc1CSc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592257063 1192604552 /nfs/dbraw/zinc/60/45/52/1192604552.db2.gz ALXAXLFRZIRMKX-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM N#CC1(CCCCN2CCc3ccc(-c4nnn[n-]4)cc32)CCC1 ZINC001592669533 1192625710 /nfs/dbraw/zinc/62/57/10/1192625710.db2.gz XWGCQZCWSBCEQZ-UHFFFAOYSA-N -1 3 322.416 3.093 20 30 DGEDHM N#CC1(CCCCN2CCc3ccc(-c4nn[n-]n4)cc32)CCC1 ZINC001592669533 1192625713 /nfs/dbraw/zinc/62/57/13/1192625713.db2.gz XWGCQZCWSBCEQZ-UHFFFAOYSA-N -1 3 322.416 3.093 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592682303 1192626401 /nfs/dbraw/zinc/62/64/01/1192626401.db2.gz UKKYUXQMCRSVIB-UWVGGRQHSA-N -1 3 302.769 3.014 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001592682303 1192626403 /nfs/dbraw/zinc/62/64/03/1192626403.db2.gz UKKYUXQMCRSVIB-UWVGGRQHSA-N -1 3 302.769 3.014 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592792424 1192627813 /nfs/dbraw/zinc/62/78/13/1192627813.db2.gz PHLPJONZFIVGLO-KRXBUXKQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592792424 1192627815 /nfs/dbraw/zinc/62/78/15/1192627815.db2.gz PHLPJONZFIVGLO-KRXBUXKQSA-N -1 3 312.279 3.041 20 30 DGEDHM C#Cc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)c(Cl)c1 ZINC001598566895 1192777055 /nfs/dbraw/zinc/77/70/55/1192777055.db2.gz AZYZURHIGXODAR-UHFFFAOYSA-N -1 3 315.712 3.008 20 30 DGEDHM C=CC[C@@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001334779237 1178796253 /nfs/dbraw/zinc/79/62/53/1178796253.db2.gz KTDRVFWXQGKWDE-CYBMUJFWSA-N -1 3 306.362 3.068 20 30 DGEDHM N#Cc1cc(F)ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC001601088704 1192917269 /nfs/dbraw/zinc/91/72/69/1192917269.db2.gz DVHHIYODFNFEBQ-IKGGRYGDSA-N -1 3 316.376 3.163 20 30 DGEDHM N#Cc1ccc(CNCc2c3ccccc3[nH]c2C(=O)[O-])cc1F ZINC001601101810 1192918312 /nfs/dbraw/zinc/91/83/12/1192918312.db2.gz LBKUGDPCVXABLN-UHFFFAOYSA-N -1 3 323.327 3.167 20 30 DGEDHM Cc1cccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC001344543087 1179449468 /nfs/dbraw/zinc/44/94/68/1179449468.db2.gz QWPMQPLZHHGBRB-LLVKDONJSA-N -1 3 313.744 3.005 20 30 DGEDHM C=C(C)CCc1noc([C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001602758486 1192996609 /nfs/dbraw/zinc/99/66/09/1192996609.db2.gz JGUNNRPMERRVJU-LBPRGKRZSA-N -1 3 324.388 3.105 20 30 DGEDHM C=C(C)CCc1noc([C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001602758486 1192996612 /nfs/dbraw/zinc/99/66/12/1192996612.db2.gz JGUNNRPMERRVJU-LBPRGKRZSA-N -1 3 324.388 3.105 20 30 DGEDHM C=C(CNc1cc(C(C)=O)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001602767212 1192997122 /nfs/dbraw/zinc/99/71/22/1192997122.db2.gz CDJRYYHOZTVITJ-UHFFFAOYSA-N -1 3 319.368 3.195 20 30 DGEDHM C=C(CNc1cc(C(C)=O)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001602767212 1192997125 /nfs/dbraw/zinc/99/71/25/1192997125.db2.gz CDJRYYHOZTVITJ-UHFFFAOYSA-N -1 3 319.368 3.195 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001602794161 1192998010 /nfs/dbraw/zinc/99/80/10/1192998010.db2.gz JICSNYBSPRFOLY-HNNXBMFYSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001602794161 1192998011 /nfs/dbraw/zinc/99/80/11/1192998011.db2.gz JICSNYBSPRFOLY-HNNXBMFYSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C[C@](C)(CC)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602793592 1192998101 /nfs/dbraw/zinc/99/81/01/1192998101.db2.gz CJITUMPKHZDOGB-OAHLLOKOSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C[C@](C)(CC)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602793592 1192998103 /nfs/dbraw/zinc/99/81/03/1192998103.db2.gz CJITUMPKHZDOGB-OAHLLOKOSA-N -1 3 320.780 3.166 20 30 DGEDHM Cc1sc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C#N)c1C ZINC001351224060 1180188151 /nfs/dbraw/zinc/18/81/51/1180188151.db2.gz NLKDXMLDVWFQDQ-UHFFFAOYSA-N -1 3 316.342 3.101 20 30 DGEDHM CC(CCc1ccc(F)cc1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001603500119 1193018760 /nfs/dbraw/zinc/01/87/60/1193018760.db2.gz ZYCDLFXIZWAMOU-UHFFFAOYSA-N -1 3 324.363 3.426 20 30 DGEDHM CC(CCc1ccc(F)cc1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001603500119 1193018762 /nfs/dbraw/zinc/01/87/62/1193018762.db2.gz ZYCDLFXIZWAMOU-UHFFFAOYSA-N -1 3 324.363 3.426 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001603826323 1193033770 /nfs/dbraw/zinc/03/37/70/1193033770.db2.gz JQCJKDFOZUOSQI-ADVUTCEVSA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001603826323 1193033772 /nfs/dbraw/zinc/03/37/72/1193033772.db2.gz JQCJKDFOZUOSQI-ADVUTCEVSA-N -1 3 320.327 3.389 20 30 DGEDHM O=C(c1ccnc(OC2CCC2)c1)N([O-])Cc1ccc(F)cc1 ZINC001353964066 1180694616 /nfs/dbraw/zinc/69/46/16/1180694616.db2.gz WLKNPWVIZQLVGK-UHFFFAOYSA-N -1 3 316.332 3.184 20 30 DGEDHM CCCCCCCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001604175643 1193057709 /nfs/dbraw/zinc/05/77/09/1193057709.db2.gz KYJVCGQATCWVJV-CYBMUJFWSA-N -1 3 315.421 3.404 20 30 DGEDHM CCCCCCCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001604175643 1193057712 /nfs/dbraw/zinc/05/77/12/1193057712.db2.gz KYJVCGQATCWVJV-CYBMUJFWSA-N -1 3 315.421 3.404 20 30 DGEDHM CCCCCCCC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001604176748 1193058687 /nfs/dbraw/zinc/05/86/87/1193058687.db2.gz XUAIPYXKFYFBPU-UHFFFAOYSA-N -1 3 315.421 3.152 20 30 DGEDHM CCCCCCCC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001604176748 1193058690 /nfs/dbraw/zinc/05/86/90/1193058690.db2.gz XUAIPYXKFYFBPU-UHFFFAOYSA-N -1 3 315.421 3.152 20 30 DGEDHM N#CCn1c(C([O-])=C(C#N)c2cccc(F)n2)cc2ccccc21 ZINC001357599498 1181412879 /nfs/dbraw/zinc/41/28/79/1181412879.db2.gz VYCCNOPBAFKISV-ZDUSSCGKSA-N -1 3 318.311 3.189 20 30 DGEDHM C#CCOc1cccc(OC(=O)c2cccc(Cl)c2[O-])c1 ZINC001359925498 1181611616 /nfs/dbraw/zinc/61/16/16/1181611616.db2.gz DLAUGJTZZCEPTQ-UHFFFAOYSA-N -1 3 302.713 3.277 20 30 DGEDHM C=CCOc1ccc(CC(=O)Nc2cccc([O-])c2F)cc1 ZINC001446243369 1182165256 /nfs/dbraw/zinc/16/52/56/1182165256.db2.gz XZGZGVGFPBKDLX-UHFFFAOYSA-N -1 3 301.317 3.277 20 30 DGEDHM C=CCCO[N-]C(=O)CCCc1ccc(Br)cc1 ZINC001454238475 1182333853 /nfs/dbraw/zinc/33/38/53/1182333853.db2.gz BSPMFVJTIISJNW-UHFFFAOYSA-N -1 3 312.207 3.396 20 30 DGEDHM C[C@@]1(C#N)CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001546084899 1182430015 /nfs/dbraw/zinc/43/00/15/1182430015.db2.gz ZVNJVLSLEHRAHL-INIZCTEOSA-N -1 3 300.383 3.373 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C(=O)OCC)c1ccccc1 ZINC001458009148 1182490434 /nfs/dbraw/zinc/49/04/34/1182490434.db2.gz CVYGNWGJTXREKZ-OAHLLOKOSA-N -1 3 307.390 3.131 20 30 DGEDHM N#Cc1cc([N+](=O)[O-])c(NCc2ccc([O-])c(F)c2)cc1F ZINC001458198757 1182504919 /nfs/dbraw/zinc/50/49/19/1182504919.db2.gz OFMOSOJHQGGRBU-UHFFFAOYSA-N -1 3 305.240 3.062 20 30 DGEDHM N#Cc1cc(NCc2c([O-])cccc2F)ncc1Br ZINC001458618545 1182544874 /nfs/dbraw/zinc/54/48/74/1182544874.db2.gz NCFNWVMEKXCCKF-UHFFFAOYSA-N -1 3 322.137 3.173 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c(C)c1 ZINC001605835223 1193178970 /nfs/dbraw/zinc/17/89/70/1193178970.db2.gz GCQCMDURXBVSRS-PXNMLYILSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c(C)c1 ZINC001605835223 1193178972 /nfs/dbraw/zinc/17/89/72/1193178972.db2.gz GCQCMDURXBVSRS-PXNMLYILSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc(CSc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC001605859702 1193180471 /nfs/dbraw/zinc/18/04/71/1193180471.db2.gz KNIHPVCPOJJMCU-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(CSc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC001605859702 1193180474 /nfs/dbraw/zinc/18/04/74/1193180474.db2.gz KNIHPVCPOJJMCU-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(C#N)c1SCc1ccccc1-c1nnn[n-]1 ZINC001605899171 1193183394 /nfs/dbraw/zinc/18/33/94/1193183394.db2.gz CTCAVOKRICATRJ-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(C#N)c1SCc1ccccc1-c1nn[n-]n1 ZINC001605899171 1193183396 /nfs/dbraw/zinc/18/33/96/1193183396.db2.gz CTCAVOKRICATRJ-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM N#CC1(CCCCN2CCc3c2cccc3-c2nnn[n-]2)CCC1 ZINC001606340288 1193198968 /nfs/dbraw/zinc/19/89/68/1193198968.db2.gz ITXMCQCMNSQYDK-UHFFFAOYSA-N -1 3 322.416 3.093 20 30 DGEDHM N#CC1(CCCCN2CCc3c2cccc3-c2nn[n-]n2)CCC1 ZINC001606340288 1193198969 /nfs/dbraw/zinc/19/89/69/1193198969.db2.gz ITXMCQCMNSQYDK-UHFFFAOYSA-N -1 3 322.416 3.093 20 30 DGEDHM C=CCCC[C@H](C)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001546145341 1183079294 /nfs/dbraw/zinc/07/92/94/1183079294.db2.gz IJVYJORFUXMIRN-JTQLQIEISA-N -1 3 320.339 3.281 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccccc1F ZINC001606481890 1193199742 /nfs/dbraw/zinc/19/97/42/1193199742.db2.gz KVUBGTBWHILYOE-CMDGGOBGSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccccc1F ZINC001606481890 1193199745 /nfs/dbraw/zinc/19/97/45/1193199745.db2.gz KVUBGTBWHILYOE-CMDGGOBGSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1c[nH]c2ccccc12 ZINC001606481838 1193199919 /nfs/dbraw/zinc/19/99/19/1193199919.db2.gz KGKZFBUHAXRZGZ-CMDGGOBGSA-N -1 3 315.336 3.244 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1c[nH]c2ccccc12 ZINC001606481838 1193199922 /nfs/dbraw/zinc/19/99/22/1193199922.db2.gz KGKZFBUHAXRZGZ-CMDGGOBGSA-N -1 3 315.336 3.244 20 30 DGEDHM N#Cc1cc(Cl)ccc1CNc1cccc(-c2nnn[n-]2)c1 ZINC001606361369 1193200216 /nfs/dbraw/zinc/20/02/16/1193200216.db2.gz FYGYIXPTZKIBBA-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1cc(Cl)ccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC001606361369 1193200219 /nfs/dbraw/zinc/20/02/19/1193200219.db2.gz FYGYIXPTZKIBBA-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)C1CCCCC1 ZINC001606481593 1193200255 /nfs/dbraw/zinc/20/02/55/1193200255.db2.gz FMCOAEYQMXPLCU-MDZDMXLPSA-N -1 3 300.337 3.168 20 30 DGEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)C1CCCCC1 ZINC001606481593 1193200258 /nfs/dbraw/zinc/20/02/58/1193200258.db2.gz FMCOAEYQMXPLCU-MDZDMXLPSA-N -1 3 300.337 3.168 20 30 DGEDHM N#Cc1cc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)ccn1 ZINC001467722469 1183285002 /nfs/dbraw/zinc/28/50/02/1183285002.db2.gz JYLFRATVNZYYSR-UHFFFAOYSA-N -1 3 321.714 3.015 20 30 DGEDHM C#C[C@H]1CC[C@H](NC(=O)c2ccc(OCCCC)cc2[O-])CC1 ZINC001472615872 1183656831 /nfs/dbraw/zinc/65/68/31/1183656831.db2.gz MOVLXWXLNBGVBJ-SHTZXODSSA-N -1 3 315.413 3.493 20 30 DGEDHM CCCCN([O-])C(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC001472620802 1183657220 /nfs/dbraw/zinc/65/72/20/1183657220.db2.gz SPJDMMQPDCMWHE-UHFFFAOYSA-N -1 3 306.387 3.450 20 30 DGEDHM CC(C)N(C)CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472615960 1183657332 /nfs/dbraw/zinc/65/73/32/1183657332.db2.gz JVMCUPYLYYLQBJ-UHFFFAOYSA-N -1 3 305.205 3.051 20 30 DGEDHM CCOc1cnc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001472621928 1183657896 /nfs/dbraw/zinc/65/78/96/1183657896.db2.gz BJACDDCMLZOWTD-UHFFFAOYSA-N -1 3 323.352 3.060 20 30 DGEDHM Cc1c(C(=O)[O-])cc(CN[C@@H]2CCCc3cc(C#N)ccc32)n1C ZINC001607517436 1193234814 /nfs/dbraw/zinc/23/48/14/1193234814.db2.gz KEKUTKPYAJNRMC-GOSISDBHSA-N -1 3 323.396 3.071 20 30 DGEDHM N#CCC1(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001608179255 1193281683 /nfs/dbraw/zinc/28/16/83/1193281683.db2.gz WDPIXOXRAUNVJF-GFCCVEGCSA-N -1 3 313.184 3.403 20 30 DGEDHM N#CCCC[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001608179813 1193281817 /nfs/dbraw/zinc/28/18/17/1193281817.db2.gz BDJUGITUHDFLQW-QGZVFWFLSA-N -1 3 309.369 3.305 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001609052076 1193322317 /nfs/dbraw/zinc/32/23/17/1193322317.db2.gz KMHUDCJEMVCUQP-AWEZNQCLSA-N -1 3 305.407 3.086 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001609052076 1193322319 /nfs/dbraw/zinc/32/23/19/1193322319.db2.gz KMHUDCJEMVCUQP-AWEZNQCLSA-N -1 3 305.407 3.086 20 30 DGEDHM C=C(C)[C@H](NC[C@H]1CC(C(=O)[O-])=C(C)O1)c1ccc(F)c(F)c1 ZINC001609226442 1193331936 /nfs/dbraw/zinc/33/19/36/1193331936.db2.gz OXQGKQWDQDDRBO-WBMJQRKESA-N -1 3 323.339 3.319 20 30 DGEDHM C=C(C)[C@@H](NC[C@H]1CC(C(=O)[O-])=C(C)O1)c1ccc(F)c(F)c1 ZINC001609226441 1193332145 /nfs/dbraw/zinc/33/21/45/1193332145.db2.gz OXQGKQWDQDDRBO-MLGOLLRUSA-N -1 3 323.339 3.319 20 30 DGEDHM CCc1cccc(C)c1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC001609253130 1193333227 /nfs/dbraw/zinc/33/32/27/1193333227.db2.gz QRDSYDRPSWFTIB-UHFFFAOYSA-N -1 3 312.402 3.245 20 30 DGEDHM Cc1cc(O[C@H](C)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001609411178 1193336580 /nfs/dbraw/zinc/33/65/80/1193336580.db2.gz SNJOXVAZELHKLK-GFCCVEGCSA-N -1 3 305.341 3.187 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001609430798 1193339114 /nfs/dbraw/zinc/33/91/14/1193339114.db2.gz SWRDCEVBBJVLLX-KHPPLWFESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001609430798 1193339117 /nfs/dbraw/zinc/33/91/17/1193339117.db2.gz SWRDCEVBBJVLLX-KHPPLWFESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccsc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001609439661 1193339991 /nfs/dbraw/zinc/33/99/91/1193339991.db2.gz WQHXTQIEBOBXDZ-XYOKQWHBSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1ccsc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001609439661 1193339995 /nfs/dbraw/zinc/33/99/95/1193339995.db2.gz WQHXTQIEBOBXDZ-XYOKQWHBSA-N -1 3 308.366 3.059 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC001609496193 1193343220 /nfs/dbraw/zinc/34/32/20/1193343220.db2.gz URZAJWGULUMNBY-UWVGGRQHSA-N -1 3 302.769 3.014 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC001609496193 1193343223 /nfs/dbraw/zinc/34/32/23/1193343223.db2.gz URZAJWGULUMNBY-UWVGGRQHSA-N -1 3 302.769 3.014 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@@H]2CCCc3ccc(F)cc32)C(=O)[O-])c1 ZINC001610631836 1193401843 /nfs/dbraw/zinc/40/18/43/1193401843.db2.gz KHGHPTGVSORQGR-QZTJIDSGSA-N -1 3 324.355 3.490 20 30 DGEDHM N#Cc1cccc([C@H](NCc2cccc(C(F)F)c2)C(=O)[O-])c1 ZINC001610630490 1193401884 /nfs/dbraw/zinc/40/18/84/1193401884.db2.gz QZGMLXPDVPQWQE-HNNXBMFYSA-N -1 3 316.307 3.411 20 30 DGEDHM O=C(c1ccc(-c2c[nH]cn2)cc1)N([O-])Cc1ccc(F)cc1 ZINC001611666762 1193439864 /nfs/dbraw/zinc/43/98/64/1193439864.db2.gz AEHHHLGMBDHIGQ-UHFFFAOYSA-N -1 3 311.316 3.247 20 30 DGEDHM N#C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC001615097108 1193515816 /nfs/dbraw/zinc/51/58/16/1193515816.db2.gz FJBVXEKIMKQDRI-AWEZNQCLSA-N -1 3 318.735 3.108 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC001557923050 1189092846 /nfs/dbraw/zinc/09/28/46/1189092846.db2.gz UOLRKNVMEPBSMV-UHFFFAOYSA-N -1 3 324.233 3.440 20 30 DGEDHM C=CCn1ncc2ccc(NC(=O)c3c(C)cccc3[O-])cc21 ZINC001558615333 1189138443 /nfs/dbraw/zinc/13/84/43/1189138443.db2.gz XXHFZBVNXMCIPN-UHFFFAOYSA-N -1 3 307.353 3.489 20 30 DGEDHM COC[C@H](C)CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001559031164 1189163551 /nfs/dbraw/zinc/16/35/51/1189163551.db2.gz UWEBULDFHGZVHF-SECBINFHSA-N -1 3 306.189 3.384 20 30 DGEDHM COCC1(C(=O)N([O-])CCCCc2ccccc2)CCCC1 ZINC001559033980 1189163672 /nfs/dbraw/zinc/16/36/72/1189163672.db2.gz HSODIBPJLVNTOH-UHFFFAOYSA-N -1 3 305.418 3.434 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001631897164 1194361450 /nfs/dbraw/zinc/36/14/50/1194361450.db2.gz LIASXRBELNNRDL-UHFFFAOYSA-N -1 3 323.190 3.097 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(C#N)c2)c1 ZINC001638252893 1194708737 /nfs/dbraw/zinc/70/87/37/1194708737.db2.gz JAGINBKPDAVIEY-LLVKDONJSA-N -1 3 312.394 3.477 20 30 DGEDHM N#Cc1ccnc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC001639040574 1194747945 /nfs/dbraw/zinc/74/79/45/1194747945.db2.gz MDVUYWHUORRAHT-UHFFFAOYSA-N -1 3 322.151 3.292 20 30 DGEDHM N#CCc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001639054250 1194748421 /nfs/dbraw/zinc/74/84/21/1194748421.db2.gz CQJJDKYYEGEEMW-UHFFFAOYSA-N -1 3 300.745 3.438 20 30 DGEDHM CCNc1ncc(C(=O)N([O-])Cc2ccccc2Cl)s1 ZINC001639054288 1194748572 /nfs/dbraw/zinc/74/85/72/1194748572.db2.gz FCBKMFCXKRMJFT-UHFFFAOYSA-N -1 3 311.794 3.260 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC001639062119 1194749370 /nfs/dbraw/zinc/74/93/70/1194749370.db2.gz BJVGTZSMDPLZAI-UHFFFAOYSA-N -1 3 304.346 3.459 20 30 DGEDHM N#Cc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001639075869 1194749788 /nfs/dbraw/zinc/74/97/88/1194749788.db2.gz ZBLGQACVWPVSKO-UHFFFAOYSA-N -1 3 303.321 3.138 20 30 DGEDHM CCCCCCCC[C@@H](C)CC(=O)N[C@H]1CCCN([O-])C1=O ZINC001641521723 1194858359 /nfs/dbraw/zinc/85/83/59/1194858359.db2.gz RTHNYIYTPREQNQ-CABCVRRESA-N -1 3 312.454 3.260 20 30 DGEDHM CCCCN([O-])C(=O)CCc1cc(Br)cs1 ZINC001641870739 1194876002 /nfs/dbraw/zinc/87/60/02/1194876002.db2.gz LDBKUSQBGLVNIM-UHFFFAOYSA-N -1 3 306.225 3.461 20 30 DGEDHM CCCOc1nc(C)ccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001641877726 1194876552 /nfs/dbraw/zinc/87/65/52/1194876552.db2.gz FDVSWYTWLQYSGC-UHFFFAOYSA-N -1 3 318.348 3.350 20 30 DGEDHM Cn1cc(Cl)c(C(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC001641877969 1194876805 /nfs/dbraw/zinc/87/68/05/1194876805.db2.gz NZBMNLXSWUHUSM-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM CCOC(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001641878098 1194876865 /nfs/dbraw/zinc/87/68/65/1194876865.db2.gz UBZXMGLJEQBMBD-UHFFFAOYSA-N -1 3 317.316 3.034 20 30 DGEDHM CNc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001641878212 1194877424 /nfs/dbraw/zinc/87/74/24/1194877424.db2.gz YSLPODFGUAXDQS-UHFFFAOYSA-N -1 3 307.353 3.308 20 30 DGEDHM C#C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC001651056582 1195408719 /nfs/dbraw/zinc/40/87/19/1195408719.db2.gz ABKGYDIYETVDCK-LLVKDONJSA-N -1 3 321.695 3.274 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](CC(C)C)N1CCCCC1=O ZINC001651227152 1195429088 /nfs/dbraw/zinc/42/90/88/1195429088.db2.gz FIBLFPRQWMXOES-HNNXBMFYSA-N -1 3 312.454 3.212 20 30 DGEDHM C[C@@H](Oc1ccccn1)C(=O)N([O-])CCCCc1ccccc1 ZINC001651226877 1195429029 /nfs/dbraw/zinc/42/90/29/1195429029.db2.gz BNRNDELYKJCCQH-OAHLLOKOSA-N -1 3 314.385 3.090 20 30 DGEDHM Cn1nc(C(=O)N([O-])Cc2ccccc2Cl)cc1C(F)F ZINC001654814401 1195842916 /nfs/dbraw/zinc/84/29/16/1195842916.db2.gz UANIJURSVVJEFC-UHFFFAOYSA-N -1 3 315.707 3.043 20 30 DGEDHM CCCCCCN([O-])C(=O)Cn1ccc2cc(OC)ccc21 ZINC001654819642 1195843906 /nfs/dbraw/zinc/84/39/06/1195843906.db2.gz LCOULWGKJZRTOF-UHFFFAOYSA-N -1 3 304.390 3.448 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cnn(-c2ccc(Cl)cc2)n1 ZINC001654819933 1195844195 /nfs/dbraw/zinc/84/41/95/1195844195.db2.gz XDUMMQKNFHPADJ-UHFFFAOYSA-N -1 3 322.796 3.332 20 30 DGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001655155400 1195883929 /nfs/dbraw/zinc/88/39/29/1195883929.db2.gz SQLPALZZAPMHTQ-ZDUSSCGKSA-N -1 3 322.455 3.443 20 30 DGEDHM N#Cc1cccnc1-n1cc([N-]c2nc3cccc(F)c3o2)cn1 ZINC001655354551 1195906323 /nfs/dbraw/zinc/90/63/23/1195906323.db2.gz UGFTWHHPAHIARR-UHFFFAOYSA-N -1 3 320.287 3.163 20 30 DGEDHM C=C1CCC(C[N-]S(=O)(=O)c2ccc(C)c(F)c2F)CC1 ZINC001664088223 1196970203 /nfs/dbraw/zinc/97/02/03/1196970203.db2.gz BBMWGCQWMGYBGA-UHFFFAOYSA-N -1 3 315.385 3.298 20 30 DGEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001665326588 1197123627 /nfs/dbraw/zinc/12/36/27/1197123627.db2.gz IGLHTIDGBKNIQL-UHFFFAOYSA-N -1 3 303.374 3.236 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001573294549 946992280 /nfs/dbraw/zinc/99/22/80/946992280.db2.gz HLCWCLGTZNNHDX-UHFFFAOYSA-N -1 3 311.370 3.214 20 30 DGEDHM C=CCCC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573333637 947439992 /nfs/dbraw/zinc/43/99/92/947439992.db2.gz BZSBFKVLEKOHPZ-UHFFFAOYSA-N -1 3 316.384 3.339 20 30 DGEDHM C=CCCC1(CNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573333637 947439998 /nfs/dbraw/zinc/43/99/98/947439998.db2.gz BZSBFKVLEKOHPZ-UHFFFAOYSA-N -1 3 316.384 3.339 20 30 DGEDHM N#CC(C(=O)C1(CC(=O)[O-])CCC1)c1ccc2ccccc2n1 ZINC001605575820 973840597 /nfs/dbraw/zinc/84/05/97/973840597.db2.gz CJJHOOHVRBCAGE-ZDUSSCGKSA-N -1 3 308.337 3.056 20 30 DGEDHM CC[C@](NCc1ccc(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001595298794 980421202 /nfs/dbraw/zinc/42/12/02/980421202.db2.gz DCHQPWJVNOJIOI-GOSISDBHSA-N -1 3 312.344 3.177 20 30 DGEDHM C=C(C)C[C@H](NCc1nc(-c2cccs2)oc1C)C(=O)[O-] ZINC001588554164 983629919 /nfs/dbraw/zinc/62/99/19/983629919.db2.gz YZVQBDDBJXLWHG-NSHDSACASA-N -1 3 306.387 3.221 20 30 DGEDHM C=CCN(CCOC)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001588828608 984307563 /nfs/dbraw/zinc/30/75/63/984307563.db2.gz DGXWFLZEOZAUAM-ZDUSSCGKSA-N -1 3 318.200 3.254 20 30 DGEDHM C[C@@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1cccc(C#N)c1 ZINC001593289597 994664834 /nfs/dbraw/zinc/66/48/34/994664834.db2.gz VKCFBIVXLLIHGQ-CYBMUJFWSA-N -1 3 323.396 3.245 20 30 DGEDHM C=CCn1cc(C(=O)[N-]c2cc(Cl)ccc2SCC)nn1 ZINC001126027249 1083763379 /nfs/dbraw/zinc/76/33/79/1083763379.db2.gz AZGSSBAKMNDQGS-UHFFFAOYSA-N -1 3 322.821 3.482 20 30 DGEDHM CC#CCCCCCCCC(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC001182763890 1083789260 /nfs/dbraw/zinc/78/92/60/1083789260.db2.gz CODCYGKFOWNGMV-UHFFFAOYSA-N -1 3 319.405 3.279 20 30 DGEDHM CC#CCCCCCCCC(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC001182763890 1083789272 /nfs/dbraw/zinc/78/92/72/1083789272.db2.gz CODCYGKFOWNGMV-UHFFFAOYSA-N -1 3 319.405 3.279 20 30 DGEDHM CC(=O)c1cccc([O-])c1NC(=O)[C@@H](C)c1ccc(C#N)cc1 ZINC001182798334 1083796861 /nfs/dbraw/zinc/79/68/61/1083796861.db2.gz NZEKMWHLNBQTSG-NSHDSACASA-N -1 3 308.337 3.209 20 30 DGEDHM CCCCN([O-])C(=O)c1cnn(Cc2ccccc2)c1Cl ZINC001184314829 1084147721 /nfs/dbraw/zinc/14/77/21/1084147721.db2.gz MKGXKTSJUXJTHF-UHFFFAOYSA-N -1 3 307.781 3.216 20 30 DGEDHM CCCCN([O-])C(=O)c1cc(-c2cnc3[nH]ccc3c2)ccn1 ZINC001184314763 1084147832 /nfs/dbraw/zinc/14/78/32/1084147832.db2.gz JJDNVKJUWRFJOZ-UHFFFAOYSA-N -1 3 310.357 3.208 20 30 DGEDHM C[C@H](C(=O)OC(C)(C)C)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293220 1084155808 /nfs/dbraw/zinc/15/58/08/1084155808.db2.gz KKPGYWOFIAHMHW-AWEZNQCLSA-N -1 3 321.417 3.205 20 30 DGEDHM CNc1ncccc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184339012 1084163082 /nfs/dbraw/zinc/16/30/82/1084163082.db2.gz AWKMFECIVNKFSM-UHFFFAOYSA-N -1 3 307.353 3.308 20 30 DGEDHM CCN(C)[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001184348774 1084165787 /nfs/dbraw/zinc/16/57/87/1084165787.db2.gz UQNMHFHTESUYLU-KRWDZBQOSA-N -1 3 316.376 3.237 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1scc2c1CCCC2 ZINC001153627628 1088312014 /nfs/dbraw/zinc/31/20/14/1088312014.db2.gz XHEILPXKOFUIRJ-UHFFFAOYSA-N -1 3 315.398 3.066 20 30 DGEDHM N#Cc1cc(NC(=O)c2ccc3cc(F)ccc3n2)ccc1[O-] ZINC001153895712 1088400758 /nfs/dbraw/zinc/40/07/58/1088400758.db2.gz CITBMDXHLZDXFF-UHFFFAOYSA-N -1 3 307.284 3.203 20 30 DGEDHM CC(C)n1nc(C(=O)Nc2ccc([O-])c(C#N)c2)c2ccccc21 ZINC001153922817 1088409202 /nfs/dbraw/zinc/40/92/02/1088409202.db2.gz CXYGQBUWTIYUKS-UHFFFAOYSA-N -1 3 320.352 3.447 20 30 DGEDHM Cc1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)c(Cl)n1 ZINC001161842426 1089434489 /nfs/dbraw/zinc/43/44/89/1089434489.db2.gz DGAUGWZCEXTEGF-UHFFFAOYSA-N -1 3 308.740 3.143 20 30 DGEDHM Cc1cc([O-])c(CN2CCC[C@@H](C#N)C2)cc1Br ZINC001237682765 1090317750 /nfs/dbraw/zinc/31/77/50/1090317750.db2.gz SISSFISCWRWHHO-NSHDSACASA-N -1 3 309.207 3.199 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1C[C@@]1(C)c1cccc(Br)c1 ZINC001164414524 1090421066 /nfs/dbraw/zinc/42/10/66/1090421066.db2.gz QKNLAZWOWZXVTM-ZBINZKHDSA-N -1 3 324.218 3.349 20 30 DGEDHM N#Cc1cccc(C(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC001649069576 1090588463 /nfs/dbraw/zinc/58/84/63/1090588463.db2.gz DCLSLFZLLLRADC-UHFFFAOYSA-N -1 3 303.321 3.138 20 30 DGEDHM N#Cc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)nc1 ZINC001649070103 1090588631 /nfs/dbraw/zinc/58/86/31/1090588631.db2.gz QACVQPJFFMBIBK-UHFFFAOYSA-N -1 3 303.321 3.138 20 30 DGEDHM O=C(c1n[nH]c2c1CCC2)N([O-])Cc1cccc2ccccc21 ZINC001649070101 1090588681 /nfs/dbraw/zinc/58/86/81/1090588681.db2.gz PZIMTVRJDXLBTF-UHFFFAOYSA-N -1 3 307.353 3.083 20 30 DGEDHM N#Cc1cccc(C2CCN(Cc3ccc(C(=O)[O-])o3)CC2)c1 ZINC001140946985 1092074862 /nfs/dbraw/zinc/07/48/62/1092074862.db2.gz QBDDSPDTTRVOKY-UHFFFAOYSA-N -1 3 310.353 3.229 20 30 DGEDHM CC(=O)c1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1[O-] ZINC001298744851 1092099743 /nfs/dbraw/zinc/09/97/43/1092099743.db2.gz VSNUULLEHSCIEK-UHFFFAOYSA-N -1 3 320.348 3.137 20 30 DGEDHM CCNc1ccc(C#N)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001150797393 1092826706 /nfs/dbraw/zinc/82/67/06/1092826706.db2.gz TXJFHQTZZBPYGJ-UHFFFAOYSA-N -1 3 313.332 3.016 20 30 DGEDHM COCCOc1cccc(F)c1Nc1ccc([O-])c(C#N)c1 ZINC001210534843 1093199321 /nfs/dbraw/zinc/19/93/21/1093199321.db2.gz SPBMEALKTBMHET-UHFFFAOYSA-N -1 3 302.305 3.172 20 30 DGEDHM COC(=O)Cc1c(F)ccc(Nc2ccc([O-])c(C#N)c2)c1F ZINC001210532645 1093199475 /nfs/dbraw/zinc/19/94/75/1093199475.db2.gz LETBELIBNLAXGA-UHFFFAOYSA-N -1 3 318.279 3.001 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1cccc(C#N)c1C ZINC001216176631 1094138977 /nfs/dbraw/zinc/13/89/77/1094138977.db2.gz ACZPGSGIUIDSFT-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM C=CC[C@@H](C)C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001144022868 1095478472 /nfs/dbraw/zinc/47/84/72/1095478472.db2.gz ZZGNYHUGEGRPKJ-LLVKDONJSA-N -1 3 305.374 3.498 20 30 DGEDHM C=C(C(=O)Nc1cc(Br)ccc1[O-])C(F)(F)F ZINC001144209550 1095558905 /nfs/dbraw/zinc/55/89/05/1095558905.db2.gz IAYIULPJSLHMLD-UHFFFAOYSA-N -1 3 310.069 3.212 20 30 DGEDHM C#CC[C@H](C)O[C@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223401498 1095959190 /nfs/dbraw/zinc/95/91/90/1095959190.db2.gz AWWYXBYKEDWAFM-VFZGTOFNSA-N -1 3 324.739 3.097 20 30 DGEDHM C#CC[C@H](C)O[C@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223401498 1095959199 /nfs/dbraw/zinc/95/91/99/1095959199.db2.gz AWWYXBYKEDWAFM-VFZGTOFNSA-N -1 3 324.739 3.097 20 30 DGEDHM C=C(C)C[C@@H](NCc1c(C)nn(CCCC)c1Cl)C(=O)[O-] ZINC001118917919 1096104502 /nfs/dbraw/zinc/10/45/02/1096104502.db2.gz FBSGGKTXIIDWKE-CYBMUJFWSA-N -1 3 313.829 3.154 20 30 DGEDHM O=C(c1cccc(O)c1[O-])N1CCC(C#Cc2ccccc2)CC1 ZINC001148218647 1096328185 /nfs/dbraw/zinc/32/81/85/1096328185.db2.gz JPCOGTXRFAAFQK-UHFFFAOYSA-N -1 3 321.376 3.002 20 30 DGEDHM Cc1cc(C(=O)N=C(N)c2ccc3ccccc3n2)cc(C)c1[O-] ZINC001148561850 1096397372 /nfs/dbraw/zinc/39/73/72/1096397372.db2.gz JTUNLJBVTSSQCV-UHFFFAOYSA-N -1 3 319.364 3.103 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CC[C@H](C(F)(F)F)CC2)[n-]1 ZINC001225469264 1096440460 /nfs/dbraw/zinc/44/04/60/1096440460.db2.gz IRIOLRHTVYYIMV-MGCOHNPYSA-N -1 3 300.280 3.467 20 30 DGEDHM C[C@@H](C#C[Si](C)(C)C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850213 1096545485 /nfs/dbraw/zinc/54/54/85/1096545485.db2.gz GVXLCBZFDCMMCZ-QMMMGPOBSA-N -1 3 320.412 3.432 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226109861 1096614467 /nfs/dbraw/zinc/61/44/67/1096614467.db2.gz KIRMIJITNJJSPA-CLXYIWAZSA-N -1 3 320.389 3.273 20 30 DGEDHM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H]1CCCN(CC)C1 ZINC001227120009 1096874089 /nfs/dbraw/zinc/87/40/89/1096874089.db2.gz CRTCGQCRKHOPDY-AWEZNQCLSA-N -1 3 303.402 3.186 20 30 DGEDHM O=c1cc(O[C@H]2CC(F)(F)C2(F)F)[n-]c(C(F)(F)F)c1 ZINC001227584818 1096955520 /nfs/dbraw/zinc/95/55/20/1096955520.db2.gz VIUKZARRFDQERQ-LURJTMIESA-N -1 3 305.149 3.228 20 30 DGEDHM O=C1C[C@H](Oc2ccccc2N=CC=Nc2ccccc2[O-])CO1 ZINC001228125440 1097056614 /nfs/dbraw/zinc/05/66/14/1097056614.db2.gz OWZNTPXQRVMXQQ-ZDUSSCGKSA-N -1 3 324.336 3.191 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])O1 ZINC001228685061 1097167099 /nfs/dbraw/zinc/16/70/99/1097167099.db2.gz DGQZWPVVJDHTJV-BLLLJJGKSA-N -1 3 322.361 3.285 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])C(C)(C)O1 ZINC001228687826 1097168031 /nfs/dbraw/zinc/16/80/31/1097168031.db2.gz CBWDGHCAUBXKKQ-WBMJQRKESA-N -1 3 322.361 3.285 20 30 DGEDHM C=C1O[C@H](C)C(=O)C1Oc1cc([O-])c(C(C)C)cc1C(C)=O ZINC001228958527 1097226928 /nfs/dbraw/zinc/22/69/28/1097226928.db2.gz MAVKUFDBUSVUGW-SNVBAGLBSA-N -1 3 304.342 3.316 20 30 DGEDHM N#C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccccc1F ZINC001231075124 1097662666 /nfs/dbraw/zinc/66/26/66/1097662666.db2.gz XBBFIWPEMLKVGA-CYBMUJFWSA-N -1 3 313.263 3.257 20 30 DGEDHM C#C[C@H](Oc1[n-]c(=O)nc2c(OC)cccc21)c1ccccc1 ZINC001231350254 1097728145 /nfs/dbraw/zinc/72/81/45/1097728145.db2.gz UJNXJLAQBKXKCZ-AWEZNQCLSA-N -1 3 306.321 3.097 20 30 DGEDHM CC(C)(C#N)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175430455 1098046209 /nfs/dbraw/zinc/04/62/09/1098046209.db2.gz RRTVIPMQPWMIPO-UHFFFAOYSA-N -1 3 304.357 3.411 20 30 DGEDHM N#Cc1cc(F)c(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001175433471 1098047124 /nfs/dbraw/zinc/04/71/24/1098047124.db2.gz YAGORPCGTNBWJJ-UHFFFAOYSA-N -1 3 314.711 3.274 20 30 DGEDHM COc1ccc([C@H](C)Oc2ccc(/C=N/[O-])cc2OC)cn1 ZINC001233803302 1098434033 /nfs/dbraw/zinc/43/40/33/1098434033.db2.gz NHYBQWCIOKBNLZ-KECVIQKOSA-N -1 3 302.330 3.047 20 30 DGEDHM CCC[C@H](CC(=O)OCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802734 1098434335 /nfs/dbraw/zinc/43/43/35/1098434335.db2.gz IIXPBKBTHVGLBD-VVBXCHJUSA-N -1 3 309.362 3.004 20 30 DGEDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234138527 1098502946 /nfs/dbraw/zinc/50/29/46/1098502946.db2.gz AABIICXNPVIHJM-JNSHFYNHSA-N -1 3 318.373 3.041 20 30 DGEDHM C=CCOc1ccccc1[C@@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234150966 1098505617 /nfs/dbraw/zinc/50/56/17/1098505617.db2.gz ZDYMTVSRWUKNMB-GFCCVEGCSA-N -1 3 313.353 3.196 20 30 DGEDHM C=CCOc1ccccc1[C@H](C)Oc1cccc([O-])c1C(N)=O ZINC001234150967 1098505662 /nfs/dbraw/zinc/50/56/62/1098505662.db2.gz ZDYMTVSRWUKNMB-LBPRGKRZSA-N -1 3 313.353 3.196 20 30 DGEDHM COc1cccc([C@H](C)Oc2[n-]c(=O)nc3cccc(C#N)c32)c1 ZINC001234511190 1098576111 /nfs/dbraw/zinc/57/61/11/1098576111.db2.gz LNWLYMRZCVUORB-NSHDSACASA-N -1 3 321.336 3.356 20 30 DGEDHM C=CCN(CC=C)Cc1cc(F)cc(Br)c1[O-] ZINC001235301653 1098949196 /nfs/dbraw/zinc/94/91/96/1098949196.db2.gz FIXHPHFESFFANO-UHFFFAOYSA-N -1 3 300.171 3.468 20 30 DGEDHM N#Cc1cc(NC(=O)COc2ccc(F)c(Cl)c2)ccc1[O-] ZINC001180564309 1099457880 /nfs/dbraw/zinc/45/78/80/1099457880.db2.gz CGPYLLVVWOFEQG-UHFFFAOYSA-N -1 3 320.707 3.074 20 30 DGEDHM N#Cc1cnc(NCc2c([O-])cccc2F)c(Br)c1 ZINC001187677911 1099572345 /nfs/dbraw/zinc/57/23/45/1099572345.db2.gz QVNNRDCDTYJTQV-UHFFFAOYSA-N -1 3 322.137 3.173 20 30 DGEDHM N#Cc1cnoc1[N-]C(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191558857 1100487682 /nfs/dbraw/zinc/48/76/82/1100487682.db2.gz WHNHNBOGJQZJPB-UHFFFAOYSA-N -1 3 314.198 3.348 20 30 DGEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(-c2ccc(F)cc2)c1 ZINC001193146963 1100712415 /nfs/dbraw/zinc/71/24/15/1100712415.db2.gz VDIPEAOFABTJSQ-NSHDSACASA-N -1 3 304.346 3.146 20 30 DGEDHM CC(C)NC(=O)c1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001240025522 1100837813 /nfs/dbraw/zinc/83/78/13/1100837813.db2.gz CNFWLNIPPJHZEB-VXLYETTFSA-N -1 3 300.333 3.439 20 30 DGEDHM COc1cc([O-])ccc1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001197153871 1101491457 /nfs/dbraw/zinc/49/14/57/1101491457.db2.gz HHBQIPZTUNCDQX-UHFFFAOYSA-N -1 3 313.357 3.081 20 30 DGEDHM Cc1ccc([O-])c(NC(=O)c2ccc(-c3ccc(C#N)cc3)o2)n1 ZINC001197387072 1101551028 /nfs/dbraw/zinc/55/10/28/1101551028.db2.gz GURGOUFRSRVKMW-UHFFFAOYSA-N -1 3 319.320 3.480 20 30 DGEDHM N#Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198860699 1102007276 /nfs/dbraw/zinc/00/72/76/1102007276.db2.gz ASDNZRPRNHLRHE-UHFFFAOYSA-N -1 3 316.313 3.244 20 30 DGEDHM CCOC(=O)c1cc2c(-c3ccc([O-])c(C#N)c3)[nH]c(C)cc-2n1 ZINC001242563317 1102211258 /nfs/dbraw/zinc/21/12/58/1102211258.db2.gz VWZFRGMJMLVOIP-UHFFFAOYSA-N -1 3 321.336 3.292 20 30 DGEDHM COc1nc(-c2cc([O-])cc(C(F)(F)F)c2)c(F)cc1C#N ZINC001242781741 1102340109 /nfs/dbraw/zinc/34/01/09/1102340109.db2.gz PQWYQGLYKDWMIC-UHFFFAOYSA-N -1 3 312.222 3.492 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2F)cc1C#N ZINC001201320048 1102554726 /nfs/dbraw/zinc/55/47/26/1102554726.db2.gz OQEOMLHRUFLBQJ-UHFFFAOYSA-N -1 3 322.336 3.254 20 30 DGEDHM [O-]/N=C/c1cccc(-c2cccc(CN3CCOCC3)c2F)c1 ZINC001244856356 1103722994 /nfs/dbraw/zinc/72/29/94/1103722994.db2.gz XPJXBEHTAMSUGR-UDWIEESQSA-N -1 3 314.360 3.133 20 30 DGEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2F)c1 ZINC001256954490 1105086363 /nfs/dbraw/zinc/08/63/63/1105086363.db2.gz VCAXKSYFYOVQCT-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CC(C)(C)c1cc([O-])c(CN2CCO[C@@H](C#N)C2)cc1Cl ZINC001248885358 1105186706 /nfs/dbraw/zinc/18/67/06/1105186706.db2.gz UCQBBTRAZSINNI-LBPRGKRZSA-N -1 3 308.809 3.067 20 30 DGEDHM COc1nc(OC)c(SC)cc1Nc1cc(C#N)ccc1[O-] ZINC001250168584 1105458028 /nfs/dbraw/zinc/45/80/28/1105458028.db2.gz UWGHBBZRWPHHPZ-UHFFFAOYSA-N -1 3 317.370 3.142 20 30 DGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001252971681 1105863374 /nfs/dbraw/zinc/86/33/74/1105863374.db2.gz UEAMYODJJUIJCI-IUODEOHRSA-N -1 3 306.381 3.465 20 30 DGEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccc(F)cc1 ZINC001256824814 1106492008 /nfs/dbraw/zinc/49/20/08/1106492008.db2.gz ODCHNDFKWHJNDA-AWEZNQCLSA-N -1 3 324.764 3.022 20 30 DGEDHM Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(Cl)c1[O-] ZINC001258126503 1106677796 /nfs/dbraw/zinc/67/77/96/1106677796.db2.gz NOIZHNMMBNLINV-UHFFFAOYSA-N -1 3 322.773 3.027 20 30 DGEDHM N#Cc1cc(F)c([N-]S(=O)(=O)CC2CCCCC2)cc1F ZINC001259618522 1107173605 /nfs/dbraw/zinc/17/36/05/1107173605.db2.gz OXZOZAFGBPAOIK-UHFFFAOYSA-N -1 3 314.357 3.158 20 30 DGEDHM N#Cc1cc(Cl)cc([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC001260627819 1107286622 /nfs/dbraw/zinc/28/66/22/1107286622.db2.gz RBACONYCTHBRSZ-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM Cn1ccnc1C(C#N)=C([O-])c1nc2ccccc2cc1C1CC1 ZINC001263332637 1108019792 /nfs/dbraw/zinc/01/97/92/1108019792.db2.gz UXGGTGGCQSCFDR-HNNXBMFYSA-N -1 3 316.364 3.336 20 30 DGEDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306896349 1111247726 /nfs/dbraw/zinc/24/77/26/1111247726.db2.gz UCAHSWSJVUPKEC-DLTWYDFYSA-N -1 3 305.418 3.287 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1[C@@H]2c3ccc(Br)cc3C[C@H]12 ZINC001306897488 1111248963 /nfs/dbraw/zinc/24/89/63/1111248963.db2.gz OSTLFHGKCCQPIS-BFHYXJOUSA-N -1 3 324.218 3.353 20 30 DGEDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443077228 290637671 /nfs/dbraw/zinc/63/76/71/290637671.db2.gz ZXABHFLMLVSLBT-MJHDQNEOSA-N -1 3 312.822 3.069 20 30 DGEDHM CC[C@@H](CC#N)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189126770 529447200 /nfs/dbraw/zinc/44/72/00/529447200.db2.gz LMVCSBVTEAPCQW-INIZCTEOSA-N -1 3 322.364 3.045 20 30 DGEDHM CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C1CCOCC1 ZINC000331330839 529581664 /nfs/dbraw/zinc/58/16/64/529581664.db2.gz HLBHXVHCAXYPTI-HNNXBMFYSA-N -1 3 305.374 3.105 20 30 DGEDHM CN(C)c1ccc(C([O-])=C(C#N)c2nccc3ccccc32)nc1 ZINC000342390099 529778513 /nfs/dbraw/zinc/77/85/13/529778513.db2.gz RXVFLBAIPIJBHJ-INIZCTEOSA-N -1 3 316.364 3.186 20 30 DGEDHM C[C@H]([C@H](C)/N=C/c1c([O-])ccc2ccccc21)N1CCOCC1 ZINC000105356410 432018648 /nfs/dbraw/zinc/01/86/48/432018648.db2.gz MSGXWXNWOSDTOV-PCPHIPEDSA-N -1 3 312.413 3.074 20 30 DGEDHM Cc1noc(C)c1CC/N=C/c1cc(Br)ccc1[O-] ZINC000107066532 432027214 /nfs/dbraw/zinc/02/72/14/432027214.db2.gz CSLHFEJNTYOKSB-LZYBPNLTSA-N -1 3 323.190 3.421 20 30 DGEDHM Cc1cccc([O-])c1NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000179547956 432061643 /nfs/dbraw/zinc/06/16/43/432061643.db2.gz MLVFYGODHRBUEH-JXMROGBWSA-N -1 3 308.337 3.255 20 30 DGEDHM CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411167642 283293475 /nfs/dbraw/zinc/29/34/75/283293475.db2.gz OAEKFBICIYFBBG-AWEZNQCLSA-N -1 3 310.401 3.336 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1C ZINC000429601080 238056875 /nfs/dbraw/zinc/05/68/75/238056875.db2.gz XZXZUZNDHBBTSM-CYBMUJFWSA-N -1 3 320.352 3.073 20 30 DGEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443022582 239164071 /nfs/dbraw/zinc/16/40/71/239164071.db2.gz WKUIGBNBWPQEOR-ZWNOBZJWSA-N -1 3 312.822 3.069 20 30 DGEDHM N#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000469325532 244096849 /nfs/dbraw/zinc/09/68/49/244096849.db2.gz QDJXJLMGZALADZ-MRXNPFEDSA-N -1 3 318.392 3.443 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)sc1Cl ZINC000473769202 244347603 /nfs/dbraw/zinc/34/76/03/244347603.db2.gz YHDCLTJTBSBKKI-LBPRGKRZSA-N -1 3 320.867 3.317 20 30 DGEDHM CCn1ncc(C([O-])=C(C#N)c2ccccn2)c1-c1ccccc1 ZINC000495183576 246244325 /nfs/dbraw/zinc/24/43/25/246244325.db2.gz YFOHVYAOKAGYGN-OAHLLOKOSA-N -1 3 316.364 3.455 20 30 DGEDHM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000337121360 253049993 /nfs/dbraw/zinc/04/99/93/253049993.db2.gz AFXBGQYMAUMRCT-UHFFFAOYSA-N -1 3 318.373 3.256 20 30 DGEDHM COc1cccc2c1n[n-]c2C(=O)Nc1cccc(C#N)c1C ZINC000345283458 254349238 /nfs/dbraw/zinc/34/92/38/254349238.db2.gz QKQOKBBODMMRLO-UHFFFAOYSA-N -1 3 306.325 3.004 20 30 DGEDHM COc1cccc2c(C(=O)Nc3cccc(C#N)c3C)n[n-]c21 ZINC000345283458 254349239 /nfs/dbraw/zinc/34/92/39/254349239.db2.gz QKQOKBBODMMRLO-UHFFFAOYSA-N -1 3 306.325 3.004 20 30 DGEDHM COc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)ccc1[O-] ZINC000442801406 533553488 /nfs/dbraw/zinc/55/34/88/533553488.db2.gz ONOBWRXWOYCDMV-OAHLLOKOSA-N -1 3 310.353 3.176 20 30 DGEDHM Cc1ccc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c([O-])c1 ZINC000609113092 400140088 /nfs/dbraw/zinc/14/00/88/400140088.db2.gz UWIMTINKRJVULR-QGZVFWFLSA-N -1 3 321.380 3.180 20 30 DGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000595399647 400141316 /nfs/dbraw/zinc/14/13/16/400141316.db2.gz NYWVUTUEWNZTJJ-UHFFFAOYSA-N -1 3 312.822 3.235 20 30 DGEDHM COc1cc(-c2noc(-c3cccc(CC#N)c3)n2)ccc1[O-] ZINC000350581418 400222141 /nfs/dbraw/zinc/22/21/41/400222141.db2.gz QDSAJTXBYFLXEJ-UHFFFAOYSA-N -1 3 307.309 3.184 20 30 DGEDHM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084896 400212418 /nfs/dbraw/zinc/21/24/18/400212418.db2.gz SMTHPASRJNCLPJ-HIFRSBDPSA-N -1 3 324.421 3.335 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)cc1C ZINC000578636535 400330675 /nfs/dbraw/zinc/33/06/75/400330675.db2.gz VJPNAPWRYZHLMK-SUMWQHHRSA-N -1 3 320.458 3.195 20 30 DGEDHM CCCOc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000032069277 400358986 /nfs/dbraw/zinc/35/89/86/400358986.db2.gz VWMCFKSMKSHKMA-VXLYETTFSA-N -1 3 300.358 3.127 20 30 DGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000590597633 400401380 /nfs/dbraw/zinc/40/13/80/400401380.db2.gz ODHUQJZBKHGQRD-UHFFFAOYSA-N -1 3 322.773 3.027 20 30 DGEDHM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041492935 400408436 /nfs/dbraw/zinc/40/84/36/400408436.db2.gz KBEONKNYKFOIJS-CQSZACIVSA-N -1 3 309.325 3.140 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3nccc3C)cc2)n1 ZINC000041518635 400409298 /nfs/dbraw/zinc/40/92/98/400409298.db2.gz NQMNXMPBYSLOHW-OAHLLOKOSA-N -1 3 322.393 3.436 20 30 DGEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000602230864 400427786 /nfs/dbraw/zinc/42/77/86/400427786.db2.gz OXFFUGWVJGGFJM-UHFFFAOYSA-N -1 3 301.371 3.437 20 30 DGEDHM Cc1[nH]c2ccccc2c1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045570872 400528617 /nfs/dbraw/zinc/52/86/17/400528617.db2.gz RQKXEPZAGPLAOO-UHFFFAOYSA-N -1 3 323.278 3.444 20 30 DGEDHM Cc1[nH]c2ccccc2c1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045570872 400528622 /nfs/dbraw/zinc/52/86/22/400528622.db2.gz RQKXEPZAGPLAOO-UHFFFAOYSA-N -1 3 323.278 3.444 20 30 DGEDHM C=CCC1(NC(=O)c2ccc(C(C)C)cc2[O-])CCOCC1 ZINC000618249560 400551759 /nfs/dbraw/zinc/55/17/59/400551759.db2.gz YYDOHVIKGRNKHP-UHFFFAOYSA-N -1 3 303.402 3.371 20 30 DGEDHM CO[C@@H](C/N=C/c1cc(Br)ccc1[O-])C(C)C ZINC000075078333 400557331 /nfs/dbraw/zinc/55/73/31/400557331.db2.gz PLVWUIKLTYVRIM-FEZXJWFHSA-N -1 3 300.196 3.245 20 30 DGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2cncc([O-])c2)cc1 ZINC000597184724 400580544 /nfs/dbraw/zinc/58/05/44/400580544.db2.gz NRQBWSBFTYKCAC-KRWDZBQOSA-N -1 3 323.396 3.008 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2cc3ccccc3n2CC#N)n1 ZINC000591861732 400566918 /nfs/dbraw/zinc/56/69/18/400566918.db2.gz CZYOHKCIZYZACD-CYBMUJFWSA-N -1 3 320.377 3.420 20 30 DGEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3nccs3)sc2C1 ZINC000618623603 400646307 /nfs/dbraw/zinc/64/63/07/400646307.db2.gz FLADPIYRTRHXNB-QMMMGPOBSA-N -1 3 303.412 3.453 20 30 DGEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000597873790 400685985 /nfs/dbraw/zinc/68/59/85/400685985.db2.gz VXKFBXBWPCDNFW-UHFFFAOYSA-N -1 3 304.375 3.152 20 30 DGEDHM N#CCC1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000598030111 400721424 /nfs/dbraw/zinc/72/14/24/400721424.db2.gz LRFVLJIYQCSLEV-UHFFFAOYSA-N -1 3 320.392 3.163 20 30 DGEDHM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000613296374 400691812 /nfs/dbraw/zinc/69/18/12/400691812.db2.gz BLHBGEWJWMOOFR-CQSZACIVSA-N -1 3 302.337 3.270 20 30 DGEDHM C[C@@]1(C#N)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000598419002 400810044 /nfs/dbraw/zinc/81/00/44/400810044.db2.gz ZSOVNAWSJULQQN-FQEVSTJZSA-N -1 3 320.392 3.359 20 30 DGEDHM C=CCCC[C@@H](C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000182645307 400895221 /nfs/dbraw/zinc/89/52/21/400895221.db2.gz TWLSKYNTBOZWQA-GFCCVEGCSA-N -1 3 316.376 3.450 20 30 DGEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598900590 400907876 /nfs/dbraw/zinc/90/78/76/400907876.db2.gz KQUSDKLACAOEDA-LLVKDONJSA-N -1 3 300.280 3.079 20 30 DGEDHM CC(C)c1csc(C(C#N)=C([O-])c2cn3ccccc3n2)n1 ZINC000080451271 400953578 /nfs/dbraw/zinc/95/35/78/400953578.db2.gz KPYHFQXFJJRMSZ-NSHDSACASA-N -1 3 310.382 3.404 20 30 DGEDHM CC(C)(C#N)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000593948177 400924577 /nfs/dbraw/zinc/92/45/77/400924577.db2.gz UKBPZXNVZKDINV-QGZVFWFLSA-N -1 3 308.381 3.403 20 30 DGEDHM CC(C)(C#N)c1ccc(CNCc2ccccc2CC(=O)[O-])cc1 ZINC000593947911 400924585 /nfs/dbraw/zinc/92/45/85/400924585.db2.gz ONXRIBXELDVUIQ-UHFFFAOYSA-N -1 3 322.408 3.405 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)c1 ZINC000599520337 401066382 /nfs/dbraw/zinc/06/63/82/401066382.db2.gz KCAPQBSGMRINQE-GFCCVEGCSA-N -1 3 324.833 3.070 20 30 DGEDHM N#Cc1ccc(C2(NCc3cccc(C(=O)[O-])c3)CCC2)cc1 ZINC000594540460 401105055 /nfs/dbraw/zinc/10/50/55/401105055.db2.gz ZXJLQMQHMSAUOL-UHFFFAOYSA-N -1 3 306.365 3.425 20 30 DGEDHM N#CC1(c2ccc(CN[C@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000594691639 401150991 /nfs/dbraw/zinc/15/09/91/401150991.db2.gz WXIVDEYNNAEHIC-KRWDZBQOSA-N -1 3 306.365 3.157 20 30 DGEDHM C[C@@]1(C#N)CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000615789983 401152539 /nfs/dbraw/zinc/15/25/39/401152539.db2.gz QQJMDVUBQGIHNN-KRWDZBQOSA-N -1 3 304.365 3.006 20 30 DGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C(C)(C)C ZINC000594725315 401161767 /nfs/dbraw/zinc/16/17/67/401161767.db2.gz BRBCBLTVDYTVER-UHFFFAOYSA-N -1 3 308.428 3.158 20 30 DGEDHM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2csc(=O)[n-]2)cc1 ZINC000329991826 292234779 /nfs/dbraw/zinc/23/47/79/292234779.db2.gz XEUWNOCJBFZDIX-OCCSQVGLSA-N -1 3 318.398 3.382 20 30 DGEDHM C=CCC[C@@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)C1CC1 ZINC000182730015 432222500 /nfs/dbraw/zinc/22/25/00/432222500.db2.gz DBXKYDPBNDFZDZ-CQSZACIVSA-N -1 3 324.446 3.223 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCO[C@H](c3ccccc3)C2)c1O ZINC000154232302 227096312 /nfs/dbraw/zinc/09/63/12/227096312.db2.gz OUKBMNVXXVVUPP-FCNSZNEASA-N -1 3 313.353 3.143 20 30 DGEDHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160760148 228248367 /nfs/dbraw/zinc/24/83/67/228248367.db2.gz UFRUCCMPYNDEJQ-GXFFZTMASA-N -1 3 312.822 3.069 20 30 DGEDHM COc1ccc(C(=O)N[C@H](C#N)c2ccccc2Cl)c([O-])c1 ZINC000179547153 228352939 /nfs/dbraw/zinc/35/29/39/228352939.db2.gz WGEIELVXYAHNLW-CQSZACIVSA-N -1 3 316.744 3.049 20 30 DGEDHM N#Cc1ccsc1[N-]C(=O)c1ccc(C2=S=CC=C2)o1 ZINC000341097161 229094276 /nfs/dbraw/zinc/09/42/76/229094276.db2.gz WYAQKAYIQYAESL-UHFFFAOYSA-N -1 3 300.364 3.091 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000342460023 229112688 /nfs/dbraw/zinc/11/26/88/229112688.db2.gz CZXKWHCQCJOZSY-GFCCVEGCSA-N -1 3 305.259 3.294 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1Cl ZINC000340183889 229086370 /nfs/dbraw/zinc/08/63/70/229086370.db2.gz 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ZINC000087279585 431852935 /nfs/dbraw/zinc/85/29/35/431852935.db2.gz NSHKLTXAEDIDKC-UHFFFAOYSA-N -1 3 304.256 3.174 20 30 DGEDHM CCCOc1ccc(/C=N/[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000123242133 431859246 /nfs/dbraw/zinc/85/92/46/431859246.db2.gz AHQNMTWYAYFISF-BZWNYKQZSA-N -1 3 303.402 3.413 20 30 DGEDHM CCC1(CC)[C@@H](/N=C/c2ccc(O)c([O-])c2O)[C@H](C)[C@@H]1OC ZINC000092196666 431908457 /nfs/dbraw/zinc/90/84/57/431908457.db2.gz AGDMVQUCJJVSLR-GBBQGVLQSA-N -1 3 307.390 3.062 20 30 DGEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)n(C)c1 ZINC000048852140 431932837 /nfs/dbraw/zinc/93/28/37/431932837.db2.gz DHPHEPUSZMEVND-OAHLLOKOSA-N -1 3 317.348 3.266 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1 ZINC000041481406 281367835 /nfs/dbraw/zinc/36/78/35/281367835.db2.gz DJUVVZZEQXKQEC-OAHLLOKOSA-N -1 3 316.364 3.320 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc(F)c2F)c1[O-] ZINC000270912740 432302007 /nfs/dbraw/zinc/30/20/07/432302007.db2.gz MBSKTSWCSUVATM-SBZQOHANSA-N -1 3 306.312 3.046 20 30 DGEDHM NC(=O)c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000254845510 432404642 /nfs/dbraw/zinc/40/46/42/432404642.db2.gz DPBKWTLAKLQDHY-UHFFFAOYSA-N -1 3 319.158 3.004 20 30 DGEDHM COc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c([O-])c1 ZINC000193238807 432459520 /nfs/dbraw/zinc/45/95/20/432459520.db2.gz PCDDIXWMGMNWRE-UHFFFAOYSA-N -1 3 322.364 3.077 20 30 DGEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C#N)C1CCCCC1 ZINC000192797366 432415377 /nfs/dbraw/zinc/41/53/77/432415377.db2.gz XWIFBMKLZCYQEN-ZDUSSCGKSA-N -1 3 307.344 3.071 20 30 DGEDHM Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c([O-])c1 ZINC000193238545 432458825 /nfs/dbraw/zinc/45/88/25/432458825.db2.gz GZXIKLDKOGMJJW-UHFFFAOYSA-N -1 3 306.365 3.377 20 30 DGEDHM C=CCCO[C@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176430158 432520844 /nfs/dbraw/zinc/52/08/44/432520844.db2.gz RBYSKRAKDXZJOD-SECBINFHSA-N -1 3 314.179 3.074 20 30 DGEDHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000195198451 432611833 /nfs/dbraw/zinc/61/18/33/432611833.db2.gz PGPLEQWCEFKMNW-UHFFFAOYSA-N -1 3 316.382 3.066 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCc3sccc32)c1[O-] ZINC000274328308 432651879 /nfs/dbraw/zinc/65/18/79/432651879.db2.gz KGLBGYDKNLPURR-PVJNQWLSSA-N -1 3 302.399 3.146 20 30 DGEDHM C=C[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000158656006 432653421 /nfs/dbraw/zinc/65/34/21/432653421.db2.gz USMORVKVLXONSO-SECBINFHSA-N -1 3 310.279 3.122 20 30 DGEDHM C=C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000158656006 432653423 /nfs/dbraw/zinc/65/34/23/432653423.db2.gz USMORVKVLXONSO-SECBINFHSA-N -1 3 310.279 3.122 20 30 DGEDHM C[C@@H]1COCCN1c1ccc(/N=C/c2cccc([O-])c2O)cc1 ZINC000265534099 432707739 /nfs/dbraw/zinc/70/77/39/432707739.db2.gz BRYASZSCPDIGJJ-OTGIAGGSSA-N -1 3 312.369 3.074 20 30 DGEDHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000227302977 432712313 /nfs/dbraw/zinc/71/23/13/432712313.db2.gz OAJGRBXUOKFISD-GHMZBOCLSA-N -1 3 314.838 3.315 20 30 DGEDHM CCc1cc(=O)[n-]c(CSCc2ccc(C#N)cc2OC)n1 ZINC000159570703 432687812 /nfs/dbraw/zinc/68/78/12/432687812.db2.gz FDMMRCPIOQUIIJ-UHFFFAOYSA-N -1 3 315.398 3.058 20 30 DGEDHM C[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000230339838 432728212 /nfs/dbraw/zinc/72/82/12/432728212.db2.gz GJUCKBGUPOPPSS-LBPRGKRZSA-N -1 3 320.439 3.092 20 30 DGEDHM CO/N=C/C(=O)[N-]c1cc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000289635318 432971013 /nfs/dbraw/zinc/97/10/13/432971013.db2.gz XEBLFIQNIMGNAQ-LICLKQGHSA-N -1 3 301.346 3.210 20 30 DGEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3cnsn3)sc21 ZINC000297946124 433036090 /nfs/dbraw/zinc/03/60/90/433036090.db2.gz UOCXNWLUMGBVKU-JGVFFNPUSA-N -1 3 318.427 3.409 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)C(C)C ZINC000298285181 433080147 /nfs/dbraw/zinc/08/01/47/433080147.db2.gz LIJXSPUTKQJXJY-UHFFFAOYSA-N -1 3 317.433 3.101 20 30 DGEDHM CC#CCN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000298538086 433173781 /nfs/dbraw/zinc/17/37/81/433173781.db2.gz XEKVHYOFQCZYJY-UHFFFAOYSA-N -1 3 313.382 3.112 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)n1C ZINC000361511546 433216148 /nfs/dbraw/zinc/21/61/48/433216148.db2.gz SRAURQZTKDNHLG-CQSZACIVSA-N -1 3 304.353 3.075 20 30 DGEDHM N#CC(=C([O-])c1ccc2c(c1)COC2)c1cnc2ccccc2n1 ZINC000361541615 433236945 /nfs/dbraw/zinc/23/69/45/433236945.db2.gz RAVIQBADIOMHGL-HNNXBMFYSA-N -1 3 315.332 3.150 20 30 DGEDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000350872083 433314389 /nfs/dbraw/zinc/31/43/89/433314389.db2.gz UGLKCKIYYRWAST-LBPRGKRZSA-N -1 3 312.822 3.069 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000362717003 433834745 /nfs/dbraw/zinc/83/47/45/433834745.db2.gz SOWWSYNYVWVYJC-UHFFFAOYSA-N -1 3 313.467 3.370 20 30 DGEDHM CSCc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000284952181 433905521 /nfs/dbraw/zinc/90/55/21/433905521.db2.gz CXOZRMVFIBYZLN-GIJQJNRQSA-N -1 3 316.426 3.070 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1cccc(OCCC)c1 ZINC000436475282 433974251 /nfs/dbraw/zinc/97/42/51/433974251.db2.gz ODXGQPVZPXOUHI-UHFFFAOYSA-N -1 3 305.403 3.251 20 30 DGEDHM N#Cc1ccc(-c2nc(-c3ccc([O-])c4ccccc34)no2)[nH]1 ZINC000436618938 434042201 /nfs/dbraw/zinc/04/22/01/434042201.db2.gz PKBMIRXHYOABGE-UHFFFAOYSA-N -1 3 302.293 3.462 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(F)c1 ZINC000404920531 293873241 /nfs/dbraw/zinc/87/32/41/293873241.db2.gz HNKIXFDEILSWCL-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CC[C@@H](C#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436541668 433998361 /nfs/dbraw/zinc/99/83/61/433998361.db2.gz ZAFYXGNCIFAKAD-INIZCTEOSA-N -1 3 308.381 3.209 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1nc2cc(Cl)ccc2n1C ZINC000294338321 434094071 /nfs/dbraw/zinc/09/40/71/434094071.db2.gz BHAPIRIJZYOWFI-UHFFFAOYSA-N -1 3 313.735 3.054 20 30 DGEDHM N#CCCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436826102 434128909 /nfs/dbraw/zinc/12/89/09/434128909.db2.gz NRPQZJYKLLEERU-UHFFFAOYSA-N -1 3 310.353 3.005 20 30 DGEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000416535265 434133639 /nfs/dbraw/zinc/13/36/39/434133639.db2.gz ZVHUUNPHKLZIRZ-UHFFFAOYSA-N -1 3 321.229 3.212 20 30 DGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000364706292 434280501 /nfs/dbraw/zinc/28/05/01/434280501.db2.gz XLJYFCQVTSRMCK-DLBZAZTESA-N -1 3 322.364 3.010 20 30 DGEDHM CCc1ccc([O-])c(C(=O)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000328692594 434301185 /nfs/dbraw/zinc/30/11/85/434301185.db2.gz JEOCIGOIXURGJG-AWEZNQCLSA-N -1 3 302.374 3.301 20 30 DGEDHM COc1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1C#N ZINC000417569932 434445938 /nfs/dbraw/zinc/44/59/38/434445938.db2.gz VWZXXMIFAIVMBJ-FZKQIMNGSA-N -1 3 324.380 3.118 20 30 DGEDHM CCc1cc(=O)[n-]c(CSCc2cccc(C#N)c2F)n1 ZINC000340858547 434395084 /nfs/dbraw/zinc/39/50/84/434395084.db2.gz XWOTUBRSVOKREB-UHFFFAOYSA-N -1 3 303.362 3.189 20 30 DGEDHM CCOc1cc(-c2noc(-c3cccc(C#N)c3)n2)ccc1[O-] ZINC000445427465 434799226 /nfs/dbraw/zinc/79/92/26/434799226.db2.gz PIIPMHWVNDDPNV-UHFFFAOYSA-N -1 3 307.309 3.380 20 30 DGEDHM N#CC(=C([O-])c1cnn(C2CC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000528913921 435030480 /nfs/dbraw/zinc/03/04/80/435030480.db2.gz OWABDESQYCEQNY-GFCCVEGCSA-N -1 3 320.274 3.122 20 30 DGEDHM CC1(C)Cc2ccc(C(=O)Nc3ccccc3CC#N)c([O-])c2O1 ZINC000577005094 435058757 /nfs/dbraw/zinc/05/87/57/435058757.db2.gz SZFLXBJYKQDTSO-UHFFFAOYSA-N -1 3 322.364 3.424 20 30 DGEDHM N#CCCC[C@@H](NC(=O)/C=C/c1cncc([O-])c1)c1ccccc1 ZINC000492851099 435061688 /nfs/dbraw/zinc/06/16/88/435061688.db2.gz HOCPUAFYBSKYLB-QZEKMECESA-N -1 3 321.380 3.352 20 30 DGEDHM C[C@H]1CCCN(c2cc(C([O-])=C(C#N)c3ccccn3)ccn2)C1 ZINC000577796713 435062117 /nfs/dbraw/zinc/06/21/17/435062117.db2.gz WSHDUOVRAHDGJP-HOCLYGCPSA-N -1 3 320.396 3.203 20 30 DGEDHM C=C(C)CO[N-]C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 ZINC000493155161 435117213 /nfs/dbraw/zinc/11/72/13/435117213.db2.gz MWWDNELKBMWSCD-VQHVLOKHSA-N -1 3 305.374 3.120 20 30 DGEDHM C#CCO[N-]C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000493158623 435118142 /nfs/dbraw/zinc/11/81/42/435118142.db2.gz PFFODSYLSCMUEZ-GQCTYLIASA-N -1 3 303.667 3.053 20 30 DGEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)(C)C ZINC000475803504 435211822 /nfs/dbraw/zinc/21/18/22/435211822.db2.gz DQHREOYYSDXREW-CYBMUJFWSA-N -1 3 314.838 3.315 20 30 DGEDHM Cc1cc(OCc2cn3ccccc3c2C#N)cc2occ([O-])c21 ZINC000642609355 435238301 /nfs/dbraw/zinc/23/83/01/435238301.db2.gz GFOHENWWLJUWJI-UHFFFAOYSA-N -1 3 318.332 3.274 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000496951986 435276516 /nfs/dbraw/zinc/27/65/16/435276516.db2.gz XSNKQTJZQHOSCO-LBPRGKRZSA-N -1 3 320.389 3.198 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000497131327 435300389 /nfs/dbraw/zinc/30/03/89/435300389.db2.gz MOOAELOOCRRLAT-LBPRGKRZSA-N -1 3 320.389 3.198 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@@H]2Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596278685 435314276 /nfs/dbraw/zinc/31/42/76/435314276.db2.gz QTVKCVGPMVYJGZ-ZDUSSCGKSA-N -1 3 310.313 3.057 20 30 DGEDHM CCn1nc(C)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000643778751 435370477 /nfs/dbraw/zinc/37/04/77/435370477.db2.gz GARBZDUAQVKRLV-LLVKDONJSA-N -1 3 322.290 3.115 20 30 DGEDHM C=CCOCCSc1nnc([N-]c2ccccc2F)s1 ZINC000549013634 435735067 /nfs/dbraw/zinc/73/50/67/435735067.db2.gz ZOFBEUARQVJGOK-UHFFFAOYSA-N -1 3 311.407 3.716 20 30 DGEDHM CCc1ccc([O-])c(C(=O)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000571052636 315693409 /nfs/dbraw/zinc/69/34/09/315693409.db2.gz YZFRZMGQRXNYKL-UHFFFAOYSA-N -1 3 306.365 3.245 20 30 DGEDHM N#C[C@H]([N-]C(=O)CC(F)(F)F)c1cccc(Br)c1 ZINC000127638938 331588729 /nfs/dbraw/zinc/58/87/29/331588729.db2.gz AEHPSXZFQJPXSI-VIFPVBQESA-N -1 3 321.096 3.082 20 30 DGEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(C2CCCCC2)n1 ZINC000518222169 331998239 /nfs/dbraw/zinc/99/82/39/331998239.db2.gz NXHXNBAVMHYBKL-CQSZACIVSA-N -1 3 308.385 3.353 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC[C@@H]1C/N=C/c1ccccc1[O-] ZINC000170963928 333043000 /nfs/dbraw/zinc/04/30/00/333043000.db2.gz BZACZMLGEQJRRO-XWAFYUISSA-N -1 3 304.390 3.211 20 30 DGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000532765676 336270226 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O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(OC(F)F)c1 ZINC000073973437 341124198 /nfs/dbraw/zinc/12/41/98/341124198.db2.gz PFXMLERDWACXTL-UHFFFAOYSA-N -1 3 320.255 3.302 20 30 DGEDHM N#CCCC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000343975729 534613814 /nfs/dbraw/zinc/61/38/14/534613814.db2.gz JJFONXUKHXUTCC-UHFFFAOYSA-N -1 3 308.790 3.075 20 30 DGEDHM N#C[C@H]([N-]C(=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000349448937 534743520 /nfs/dbraw/zinc/74/35/20/534743520.db2.gz TVPZGNSDLYONFT-VIFPVBQESA-N -1 3 310.197 3.339 20 30 DGEDHM C=CCN(Cc1cccs1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459287143 534842274 /nfs/dbraw/zinc/84/22/74/534842274.db2.gz FDHKYTXYKXLVJD-UHFFFAOYSA-N -1 3 301.415 3.309 20 30 DGEDHM C=CCN1CCC(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000171647765 526414093 /nfs/dbraw/zinc/41/40/93/526414093.db2.gz RQEHRDDGDXQCLR-LICLKQGHSA-N -1 3 323.780 3.023 20 30 DGEDHM C=CCOc1ccc(CN[C@H]2C=C[C@H](C(=O)[O-])C2)cc1Cl ZINC000417612102 526890448 /nfs/dbraw/zinc/89/04/48/526890448.db2.gz 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ZINC000737721642 574544869 /nfs/dbraw/zinc/54/48/69/574544869.db2.gz BECOJKPSWMNQNS-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(SCc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000737721642 574544870 /nfs/dbraw/zinc/54/48/70/574544870.db2.gz BECOJKPSWMNQNS-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000737723547 574574789 /nfs/dbraw/zinc/57/47/89/574574789.db2.gz WDPBGJRQHHPOJZ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000737723547 574574790 /nfs/dbraw/zinc/57/47/90/574574790.db2.gz WDPBGJRQHHPOJZ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNc1cccc3cnccc31)C(=O)[N-]2 ZINC000732711774 574579802 /nfs/dbraw/zinc/57/98/02/574579802.db2.gz JEXWVDWSMZYGQQ-UHFFFAOYSA-N -1 3 320.327 3.451 20 30 DGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000735206794 574692448 /nfs/dbraw/zinc/69/24/48/574692448.db2.gz NIIZFYPDYZYCJB-BTDICHCPSA-N -1 3 320.776 3.352 20 30 DGEDHM CC(CCc1ccccc1F)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735992462 574726104 /nfs/dbraw/zinc/72/61/04/574726104.db2.gz GVPFWIGTGJFJJJ-UHFFFAOYSA-N -1 3 324.363 3.426 20 30 DGEDHM CC(CCc1ccccc1F)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735992462 574726106 /nfs/dbraw/zinc/72/61/06/574726106.db2.gz GVPFWIGTGJFJJJ-UHFFFAOYSA-N -1 3 324.363 3.426 20 30 DGEDHM CCCCCCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736444090 574752928 /nfs/dbraw/zinc/75/29/28/574752928.db2.gz CNTGUXKCWNFEPY-UHFFFAOYSA-N -1 3 305.357 3.305 20 30 DGEDHM CCCCCCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736444090 574752930 /nfs/dbraw/zinc/75/29/30/574752930.db2.gz CNTGUXKCWNFEPY-UHFFFAOYSA-N -1 3 305.357 3.305 20 30 DGEDHM C[C@H]1c2ccccc2OCCN1[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736839544 574808568 /nfs/dbraw/zinc/80/85/68/574808568.db2.gz BOERRMFEKDUZRO-SCLBCKFNSA-N -1 3 322.364 3.140 20 30 DGEDHM CC[C@H](C#N)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000736847410 574808727 /nfs/dbraw/zinc/80/87/27/574808727.db2.gz CSAVWMWNMXTKEX-SJLPKXTDSA-N 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/nfs/dbraw/zinc/82/81/49/574828149.db2.gz PTINKUMCQVAWAN-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM O=C(C=Cc1cccc(F)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000737798483 574855670 /nfs/dbraw/zinc/85/56/70/574855670.db2.gz LFTUYSQWERWTFB-FPLPWBNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(F)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000737798483 574855672 /nfs/dbraw/zinc/85/56/72/574855672.db2.gz LFTUYSQWERWTFB-FPLPWBNLSA-N -1 3 312.279 3.041 20 30 DGEDHM Cc1ccc(N2CCC[C@H](/N=C\c3ccccc3[O-])C2=O)cc1 ZINC000741841549 574973142 /nfs/dbraw/zinc/97/31/42/574973142.db2.gz BBKYPTDLQVPMTH-IZQLPPHKSA-N -1 3 308.381 3.315 20 30 DGEDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000743259896 575040457 /nfs/dbraw/zinc/04/04/57/575040457.db2.gz OZOHSOXLYIRLDA-UHFFFAOYSA-N -1 3 322.773 3.027 20 30 DGEDHM [O-]c1c(O)ccc(/C=N\CCSCc2ccccc2)c1O ZINC000743341281 575044278 /nfs/dbraw/zinc/04/42/78/575044278.db2.gz XRRMLZZSOFFLAT-YVLHZVERSA-N -1 3 303.383 3.156 20 30 DGEDHM N#Cc1ccccc1CO[N-]C(=O)c1c(F)cccc1Cl ZINC000728911914 575193667 /nfs/dbraw/zinc/19/36/67/575193667.db2.gz LZYBTBXGOGEVBE-UHFFFAOYSA-N -1 3 304.708 3.212 20 30 DGEDHM Cc1ncc(CO)c(/C=N\C2CC(C)(c3ccccc3)C2)c1[O-] ZINC000729937610 575267344 /nfs/dbraw/zinc/26/73/44/575267344.db2.gz XHMMZSZZUWZISM-NHDPSOOVSA-N -1 3 310.397 3.127 20 30 DGEDHM N#Cc1cnccc1[N-]C(=O)c1sc2ccccc2c1Cl ZINC000730088444 575274212 /nfs/dbraw/zinc/27/42/12/575274212.db2.gz FGXXYYCQNYHBFG-UHFFFAOYSA-N -1 3 313.769 3.496 20 30 DGEDHM COc1ccc(COC(=O)c2cc3ccsc3[n-]2)cc1C#N ZINC000746978720 575487542 /nfs/dbraw/zinc/48/75/42/575487542.db2.gz MSGYTMKHLYLAIA-UHFFFAOYSA-N -1 3 312.350 3.467 20 30 DGEDHM CCOc1ccc(/C=N/CCC(=O)N2CCCCCC2)c([O-])c1 ZINC000748147517 575564063 /nfs/dbraw/zinc/56/40/63/575564063.db2.gz HFSDFCDMVRIVIX-XMHGGMMESA-N -1 3 318.417 3.003 20 30 DGEDHM CCc1cccc(NC(=O)C/N=C\c2c([O-])cccc2OC)c1 ZINC000748147677 575564146 /nfs/dbraw/zinc/56/41/46/575564146.db2.gz JEACNSYBXJNXEX-ODLFYWEKSA-N -1 3 312.369 3.021 20 30 DGEDHM O=C1[C@H](/N=C/c2ccccc2[O-])CCN1CCCc1ccccc1 ZINC000749931772 575689901 /nfs/dbraw/zinc/68/99/01/575689901.db2.gz WGAPIALXYQIKHY-ISPGYRLHSA-N -1 3 322.408 3.045 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC(C/N=C/c2ccccc2[O-])CC1 ZINC000750950705 575764297 /nfs/dbraw/zinc/76/42/97/575764297.db2.gz ZSTUPOWQTKKFCK-CPNJWEJPSA-N -1 3 318.417 3.458 20 30 DGEDHM C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1cccc(C(=O)[O-])c1 ZINC000751516847 575788156 /nfs/dbraw/zinc/78/81/56/575788156.db2.gz NEHRYGGRVUVAPJ-CQSZACIVSA-N -1 3 323.396 3.305 20 30 DGEDHM CCOc1ccc(/C=N/CC(CC)(CC)C(=O)OC)c([O-])c1 ZINC000751523214 575788403 /nfs/dbraw/zinc/78/84/03/575788403.db2.gz LHAAIHOJCSUBDQ-WOJGMQOQSA-N -1 3 307.390 3.189 20 30 DGEDHM COc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737947415 575975535 /nfs/dbraw/zinc/97/55/35/575975535.db2.gz IDLAPPYTEHMHSH-SJKOYZFVSA-N -1 3 310.353 3.043 20 30 DGEDHM C#CCN1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000726960910 576085588 /nfs/dbraw/zinc/08/55/88/576085588.db2.gz HZUIKSZYGGZDHH-UHFFFAOYSA-N -1 3 320.392 3.042 20 30 DGEDHM CCCC[C@@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000727255561 576115347 /nfs/dbraw/zinc/11/53/47/576115347.db2.gz QMAQREBIXUMUBL-OAHLLOKOSA-N -1 3 308.447 3.452 20 30 DGEDHM C#Cc1cccc(NC(=S)NN=C(C)c2ccc(C)cc2[O-])c1 ZINC000727261400 576116897 /nfs/dbraw/zinc/11/68/97/576116897.db2.gz FMXFCXGTPAWTNY-UHFFFAOYSA-N -1 3 323.421 3.393 20 30 DGEDHM COc1cc(C=NNC2CCCC2)cc(Br)c1[O-] ZINC000727652452 576136715 /nfs/dbraw/zinc/13/67/15/576136715.db2.gz JHLRNAYVSLZWCO-UHFFFAOYSA-N -1 3 313.195 3.029 20 30 DGEDHM [O-]c1ccc2ccccc2c1C=NNC(=S)NCC1CCC1 ZINC000727653400 576136774 /nfs/dbraw/zinc/13/67/74/576136774.db2.gz NLSIRNKEWICBJL-UHFFFAOYSA-N -1 3 313.426 3.144 20 30 DGEDHM N#Cc1cc(CN(CCC(=O)[O-])Cc2ccccc2)ccc1F ZINC000692435705 602234508 /nfs/dbraw/zinc/23/45/08/602234508.db2.gz FRFGCFXRMQWJBW-UHFFFAOYSA-N -1 3 312.344 3.174 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SC[C@H]1[C@H](c2ccccc2)C1(F)F ZINC000917216969 620660174 /nfs/dbraw/zinc/66/01/74/620660174.db2.gz FPAVTQABNAODJG-RYUDHWBXSA-N -1 3 323.368 3.311 20 30 DGEDHM C(=[NH+][N-]c1ncnc2[n-]cnc21)c1ccccc1-c1ccccc1 ZINC000917556200 620675841 /nfs/dbraw/zinc/67/58/41/620675841.db2.gz VWDBIGWIVDMVNY-UHFFFAOYSA-N -1 3 314.352 3.466 20 30 DGEDHM COc1cc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)ccc1[O-] ZINC000918749150 620723678 /nfs/dbraw/zinc/72/36/78/620723678.db2.gz MUTOTCAGNQSHQE-VOTSOKGWSA-N -1 3 300.358 3.318 20 30 DGEDHM C=C(C)[C@H]1CC=C(C)C(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000920383299 620798108 /nfs/dbraw/zinc/79/81/08/620798108.db2.gz ITBRNWKCGFFJJH-INIZCTEOSA-N -1 3 318.442 3.394 20 30 DGEDHM COc1ccc(Cl)c(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000920756068 620821193 /nfs/dbraw/zinc/82/11/93/620821193.db2.gz WTVYYUMTAMCLQF-UHFFFAOYSA-N -1 3 306.749 3.001 20 30 DGEDHM C=C[C@@H]1OCCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000840709524 618986972 /nfs/dbraw/zinc/98/69/72/618986972.db2.gz NJTTVZKEIRGIEW-HJEHRXJMSA-N -1 3 310.191 3.307 20 30 DGEDHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1csc(C#N)c1 ZINC000900043609 619396122 /nfs/dbraw/zinc/39/61/22/619396122.db2.gz WICPUBYKXQPYIT-MRXNPFEDSA-N -1 3 314.410 3.488 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000900096079 619404692 /nfs/dbraw/zinc/40/46/92/619404692.db2.gz QIXVVNADDGWDLY-UHFFFAOYSA-N -1 3 304.277 3.074 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H]1C(=O)Nc2c1cccc2F ZINC000900677671 619444931 /nfs/dbraw/zinc/44/49/31/619444931.db2.gz ATUXNMAXXMEWGZ-LBPRGKRZSA-N -1 3 308.353 3.050 20 30 DGEDHM O=C([C@@H]1CCc2cc(F)ccc21)N([O-])Cc1ccc(F)cc1 ZINC000901372424 619487367 /nfs/dbraw/zinc/48/73/67/619487367.db2.gz YTERPRJDFQNWOC-MRXNPFEDSA-N -1 3 303.308 3.413 20 30 DGEDHM O=C(c1csc(C(F)(F)F)n1)N([O-])Cc1ccc(F)cc1 ZINC000901371867 619490571 /nfs/dbraw/zinc/49/05/71/619490571.db2.gz JOYYLZAEOSVCGB-UHFFFAOYSA-N -1 3 320.267 3.333 20 30 DGEDHM O=C([C@@H]1C[C@@]12CCc1ccccc12)N([O-])Cc1ccc(F)cc1 ZINC000901372085 619490625 /nfs/dbraw/zinc/49/06/25/619490625.db2.gz PRODSKDDRBWNCW-PKOBYXMFSA-N -1 3 311.356 3.448 20 30 DGEDHM Cc1cc(C)n(CC(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC000901370394 619490657 /nfs/dbraw/zinc/49/06/57/619490657.db2.gz GQHTTZOOFQXLCC-UHFFFAOYSA-N -1 3 309.369 3.071 20 30 DGEDHM C[C@H](COCC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901371669 619490701 /nfs/dbraw/zinc/49/07/01/619490701.db2.gz GXMLEAXRNDSGDN-CQSZACIVSA-N -1 3 317.360 3.364 20 30 DGEDHM O=C(c1cc(C(F)(F)F)ccn1)N([O-])Cc1ccc(F)cc1 ZINC000901371457 619490760 /nfs/dbraw/zinc/49/07/60/619490760.db2.gz COHQDLKKLVGVFK-UHFFFAOYSA-N -1 3 314.238 3.271 20 30 DGEDHM COCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1F ZINC000901372341 619491104 /nfs/dbraw/zinc/49/11/04/619491104.db2.gz WQRNCTCFNCBZFK-UHFFFAOYSA-N -1 3 307.296 3.143 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2ccnn2CC(C)C)cc(O)c1[O-] ZINC000901522736 619510731 /nfs/dbraw/zinc/51/07/31/619510731.db2.gz NFPDGHWURHBGLE-SNAWJCMRSA-N -1 3 300.358 3.155 20 30 DGEDHM Cc1ccc(CC(=O)[N-]OCCCCC2(C#N)CCC2)cc1 ZINC000902703487 619665668 /nfs/dbraw/zinc/66/56/68/619665668.db2.gz NOTKCSKDLYLISP-UHFFFAOYSA-N -1 3 300.402 3.450 20 30 DGEDHM COC(=O)CCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904179674 619888660 /nfs/dbraw/zinc/88/86/60/619888660.db2.gz ANVBLMCEFQNWSU-UHFFFAOYSA-N -1 3 320.172 3.055 20 30 DGEDHM Cc1cc(C)n(CCC(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC000904171117 619891350 /nfs/dbraw/zinc/89/13/50/619891350.db2.gz RVPMZQYJLWFESL-UHFFFAOYSA-N -1 3 323.396 3.461 20 30 DGEDHM O=C([C@H]1CCc2nc[nH]c2C1)N([O-])Cc1cccc2ccccc21 ZINC000904172440 619892153 /nfs/dbraw/zinc/89/21/53/619892153.db2.gz AUNXCAXXSIKHSY-AWEZNQCLSA-N -1 3 321.380 3.086 20 30 DGEDHM O=C([C@H]1CCc2[nH]cnc2C1)N([O-])Cc1cccc2ccccc21 ZINC000904172440 619892156 /nfs/dbraw/zinc/89/21/56/619892156.db2.gz AUNXCAXXSIKHSY-AWEZNQCLSA-N -1 3 321.380 3.086 20 30 DGEDHM CC[C@H](C)n1nc(C(=O)N([O-])Cc2ccc(F)cc2)cc1C ZINC000904173342 619892166 /nfs/dbraw/zinc/89/21/66/619892166.db2.gz KIHSXFPUWFGOGK-NSHDSACASA-N -1 3 305.353 3.333 20 30 DGEDHM Cc1cn(C(C)(C)C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC000904172480 619892263 /nfs/dbraw/zinc/89/22/63/619892263.db2.gz BSIAVYKAZJDSNG-UHFFFAOYSA-N -1 3 323.396 3.498 20 30 DGEDHM CC(C)C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)n1ccnc1 ZINC000904177873 619893188 /nfs/dbraw/zinc/89/31/88/619893188.db2.gz QZMRMLAFLHPGLP-OAHLLOKOSA-N -1 3 305.353 3.027 20 30 DGEDHM CCCCN([O-])C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000904208199 619893402 /nfs/dbraw/zinc/89/34/02/619893402.db2.gz PVWZVOJXBFGSCV-UHFFFAOYSA-N -1 3 306.337 3.431 20 30 DGEDHM O=C(CSCC(F)(F)F)N([O-])Cc1ccccc1Cl ZINC000904190609 619894809 /nfs/dbraw/zinc/89/48/09/619894809.db2.gz NWICTFWVPILLKP-UHFFFAOYSA-N -1 3 313.728 3.353 20 30 DGEDHM Cn1ncc(C2CCC2)c1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192261 619895123 /nfs/dbraw/zinc/89/51/23/619895123.db2.gz GFIURKMGFNAFDL-UHFFFAOYSA-N -1 3 319.792 3.373 20 30 DGEDHM O=C([C@@H]1CCc2cccnc21)N([O-])Cc1ccccc1Cl ZINC000904193932 619895464 /nfs/dbraw/zinc/89/54/64/619895464.db2.gz YTJVYVVEGQMXHS-CYBMUJFWSA-N -1 3 302.761 3.183 20 30 DGEDHM Cc1cc(C)c(CC(=O)N([O-])Cc2ccccc2Cl)c(=O)[nH]1 ZINC000904192625 619895523 /nfs/dbraw/zinc/89/55/23/619895523.db2.gz STBGMRIUKPYMBA-UHFFFAOYSA-N -1 3 320.776 3.018 20 30 DGEDHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC000904192290 619895580 /nfs/dbraw/zinc/89/55/80/619895580.db2.gz HFFKLLXBXFBCKX-BMIGLBTASA-N -1 3 319.792 3.147 20 30 DGEDHM CCCCN([O-])C(=O)CCCCN(C)C(=O)OC(C)(C)C ZINC000904215947 619898511 /nfs/dbraw/zinc/89/85/11/619898511.db2.gz RLZKBYFFESRLNN-UHFFFAOYSA-N -1 3 302.415 3.042 20 30 DGEDHM CCOCc1nc(C)cc(N=NC(C)c2ccc(F)cc2[O-])n1 ZINC000905506612 620002911 /nfs/dbraw/zinc/00/29/11/620002911.db2.gz NBOPQFZEFQTQCC-UHFFFAOYSA-N -1 3 318.352 3.002 20 30 DGEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)C(C)(C)CC3)no1 ZINC000906259038 620081064 /nfs/dbraw/zinc/08/10/64/620081064.db2.gz BMTUVPUGUHWZED-UHFFFAOYSA-N -1 3 301.371 3.392 20 30 DGEDHM C=C(C)CCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000908929751 620231756 /nfs/dbraw/zinc/23/17/56/620231756.db2.gz OTRCMSSGVUKHHR-UHFFFAOYSA-N -1 3 311.407 3.186 20 30 DGEDHM Cc1ncc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)s1 ZINC000913655799 620468736 /nfs/dbraw/zinc/46/87/36/620468736.db2.gz AESMEWKGYVCSJV-SECBINFHSA-N -1 3 321.352 3.292 20 30 DGEDHM N#CC[C@H]1CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC000855257041 620885229 /nfs/dbraw/zinc/88/52/29/620885229.db2.gz WDFJRHLZYKNKBY-LLVKDONJSA-N -1 3 300.383 3.373 20 30 DGEDHM CC(C)([N-]C(=O)C(F)(F)c1nccs1)c1cccc(C#N)c1 ZINC000855364341 620895346 /nfs/dbraw/zinc/89/53/46/620895346.db2.gz PQIXPJJHHZADHZ-UHFFFAOYSA-N -1 3 321.352 3.158 20 30 DGEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c(C)cccc2[O-])c1 ZINC000859389091 621274293 /nfs/dbraw/zinc/27/42/93/621274293.db2.gz BVHUKDKTEYLDCY-HNNXBMFYSA-N -1 3 324.380 3.312 20 30 DGEDHM O=C1Nc2c(cccc2F)C1=N[N-]c1ncccc1C(F)(F)F ZINC000753954543 621473751 /nfs/dbraw/zinc/47/37/51/621473751.db2.gz FNSVYBUCNILCQZ-UHFFFAOYSA-N -1 3 324.237 3.008 20 30 DGEDHM CCCCCCCCNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000755216410 621558980 /nfs/dbraw/zinc/55/89/80/621558980.db2.gz QTPRDJHUHXGHIO-UHFFFAOYSA-N -1 3 306.406 3.441 20 30 DGEDHM N#CC1(CNCc2c([O-])cccc2Br)CCCC1 ZINC000862401365 621585448 /nfs/dbraw/zinc/58/54/48/621585448.db2.gz ORBFBLNDOPVBPF-UHFFFAOYSA-N -1 3 309.207 3.328 20 30 DGEDHM C[C@H](NN=Cc1c([O-])cccc1Br)C(F)(F)F ZINC000863116521 621639979 /nfs/dbraw/zinc/63/99/79/621639979.db2.gz RQFWIQMUSGSAFD-LURJTMIESA-N -1 3 311.101 3.029 20 30 DGEDHM CC(N=Nc1ccccn1)c1ccc(Br)cc1[O-] ZINC000756823197 621666582 /nfs/dbraw/zinc/66/65/82/621666582.db2.gz HWPWHDXBKRXGBG-UHFFFAOYSA-N -1 3 306.163 3.386 20 30 DGEDHM C[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000757561097 621724839 /nfs/dbraw/zinc/72/48/39/621724839.db2.gz OEGBCTASNCFPMH-AWEZNQCLSA-N -1 3 323.396 3.447 20 30 DGEDHM O=c1[n-]c(N=NC[C@@H]2CCOc3ccccc32)nc2ccccc21 ZINC000757589120 621727021 /nfs/dbraw/zinc/72/70/21/621727021.db2.gz JPHLSELRHPQLJI-LBPRGKRZSA-N -1 3 320.352 3.299 20 30 DGEDHM C#CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000757622760 621729249 /nfs/dbraw/zinc/72/92/49/621729249.db2.gz LQFZWCPIRMDHPK-INIZCTEOSA-N -1 3 316.360 3.023 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2cccc(C3CCOCC3)c2)c1O ZINC000864346279 621758723 /nfs/dbraw/zinc/75/87/23/621758723.db2.gz RTDUGOMTMUKMOR-UHFFFAOYSA-N -1 3 313.353 3.448 20 30 DGEDHM C=C(Cl)C[C@@H](NCc1ccc(OC)cc1Cl)C(=O)[O-] ZINC000864518796 621777209 /nfs/dbraw/zinc/77/72/09/621777209.db2.gz UITMMXASKBTJML-GFCCVEGCSA-N -1 3 304.173 3.034 20 30 DGEDHM N#Cc1csc(CNC[C@@H](CC(=O)[O-])C2CCCCCC2)n1 ZINC000864521855 621778492 /nfs/dbraw/zinc/77/84/92/621778492.db2.gz LOYHBNFEAHKKOA-CYBMUJFWSA-N -1 3 321.446 3.166 20 30 DGEDHM N#Cc1ccc(F)cc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000759352839 621848715 /nfs/dbraw/zinc/84/87/15/621848715.db2.gz YGKRAEYHRUKUCH-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM N#Cc1ccc(F)cc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000759352839 621848718 /nfs/dbraw/zinc/84/87/18/621848718.db2.gz YGKRAEYHRUKUCH-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM N#CC(=C([O-])c1cccc2c3c([nH]c21)CCCC3)c1ccncn1 ZINC000760346138 621933905 /nfs/dbraw/zinc/93/39/05/621933905.db2.gz OPMFFJVXOCIFSI-OAHLLOKOSA-N -1 3 316.364 3.327 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)ncn3C)ccc1[O-] ZINC000761199175 621993748 /nfs/dbraw/zinc/99/37/48/621993748.db2.gz DNZXUSJLBWSPOH-QPJJXVBHSA-N -1 3 308.337 3.184 20 30 DGEDHM CCc1ccc([C@@H](COC)N[C@H](C)c2cccc(C#N)c2[O-])o1 ZINC000866272853 622082193 /nfs/dbraw/zinc/08/21/93/622082193.db2.gz WGMRDGKCEQXWRQ-MLGOLLRUSA-N -1 3 314.385 3.458 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc3[nH]ccc3c2)nc(C)n1 ZINC000765913090 622293539 /nfs/dbraw/zinc/29/35/39/622293539.db2.gz RMJLHWQNUPIUAA-MQDFFIGUSA-N -1 3 316.364 3.464 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cccc(C#N)c2)c(OC)cc1[O-] ZINC000122526288 622344774 /nfs/dbraw/zinc/34/47/74/622344774.db2.gz OBWMPVDRUJAMIF-VOTSOKGWSA-N -1 3 309.321 3.177 20 30 DGEDHM COc1ccc(CCC(=O)[N-]O[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000871797849 622702237 /nfs/dbraw/zinc/70/22/37/622702237.db2.gz GBKPJCFLVHMSMD-AWEZNQCLSA-N -1 3 324.380 3.308 20 30 DGEDHM O=C1C[C@H](c2cccc(N=Cc3cc(Cl)ccc3[O-])c2)CN1 ZINC000771835663 622801626 /nfs/dbraw/zinc/80/16/26/622801626.db2.gz BJLFMKDQHRVOQS-LBPRGKRZSA-N -1 3 314.772 3.400 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CC2(Cc3ccccc3)CC2)c1[O-] ZINC000771835778 622801647 /nfs/dbraw/zinc/80/16/47/622801647.db2.gz FIXBCJKQLRWTCL-JAIQZWGSSA-N -1 3 310.397 3.030 20 30 DGEDHM CC(C)c1nc(C#N)c(N=NC(C)c2cccc([O-])c2F)o1 ZINC000872347467 622894208 /nfs/dbraw/zinc/89/42/08/622894208.db2.gz YNQJIFDEUMABIK-UHFFFAOYSA-N -1 3 302.309 3.350 20 30 DGEDHM Cc1ncc(CO)c(/C=N\C[C@@]2(C)CCCc3ccccc32)c1[O-] ZINC000774543688 623159057 /nfs/dbraw/zinc/15/90/57/623159057.db2.gz ZYSPZJQYMHKFJM-PBMUUGLVSA-N -1 3 324.424 3.301 20 30 DGEDHM COc1ccc(Cl)cc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273243 623405040 /nfs/dbraw/zinc/40/50/40/623405040.db2.gz DWOINWCLEIQVQW-UHFFFAOYSA-N -1 3 317.728 3.283 20 30 DGEDHM CC(C)(C#N)CCOC(=O)c1cccc(Br)c1[O-] ZINC000776388751 623422574 /nfs/dbraw/zinc/42/25/74/623422574.db2.gz ZIURCYMUXIRRBH-UHFFFAOYSA-N -1 3 312.163 3.251 20 30 DGEDHM C=CCCN(Cc1nc(CC)cc(=O)[n-]1)OCc1ccccc1 ZINC000782664176 624272041 /nfs/dbraw/zinc/27/20/41/624272041.db2.gz HJPAINSNMNSDCE-UHFFFAOYSA-N -1 3 313.401 3.255 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCCCC(C)(C)C#N)n[n-]2)o1 ZINC000783027201 624302137 /nfs/dbraw/zinc/30/21/37/624302137.db2.gz JPJZUQYTDRISBE-UHFFFAOYSA-N -1 3 301.346 3.465 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCCCC(C)(C)C#N)[n-]n2)o1 ZINC000783027201 624302139 /nfs/dbraw/zinc/30/21/39/624302139.db2.gz JPJZUQYTDRISBE-UHFFFAOYSA-N -1 3 301.346 3.465 20 30 DGEDHM N#C[C@]1(F)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000786108686 624801207 /nfs/dbraw/zinc/80/12/07/624801207.db2.gz RVMSQDTZLYZKNT-GOSISDBHSA-N -1 3 314.360 3.455 20 30 DGEDHM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CC)cc1[O-] ZINC000786723549 624948946 /nfs/dbraw/zinc/94/89/46/624948946.db2.gz FRVGNPJDXIXSQY-UHFFFAOYSA-N -1 3 324.380 3.123 20 30 DGEDHM N#CCCN(CC1CC1)C(=O)c1cc2sccc2c([O-])c1 ZINC000788305945 625121809 /nfs/dbraw/zinc/12/18/09/625121809.db2.gz SPZWWBGPKAIPMV-UHFFFAOYSA-N -1 3 300.383 3.373 20 30 DGEDHM N#Cc1cc(NC([O-])=NO[C@H]2CCCCO2)ccc1C1CC1 ZINC000881122463 625250480 /nfs/dbraw/zinc/25/04/80/625250480.db2.gz IIXYXTFEMXRMSE-HNNXBMFYSA-N -1 3 301.346 3.015 20 30 DGEDHM N#Cc1cc(NC(=O)[N-]O[C@H]2CCCCO2)ccc1C1CC1 ZINC000881122463 625250488 /nfs/dbraw/zinc/25/04/88/625250488.db2.gz IIXYXTFEMXRMSE-HNNXBMFYSA-N -1 3 301.346 3.015 20 30 DGEDHM N#Cc1ccc(COC(=O)c2cc(-c3ccco3)[n-]n2)cc1F ZINC000791315614 625775491 /nfs/dbraw/zinc/77/54/91/625775491.db2.gz SYNZBCHQXHBVCG-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM N#Cc1ccc(COC(=O)c2cc(-c3ccco3)n[n-]2)cc1F ZINC000791315614 625775499 /nfs/dbraw/zinc/77/54/99/625775499.db2.gz SYNZBCHQXHBVCG-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(C)C ZINC000798472299 626219535 /nfs/dbraw/zinc/21/95/35/626219535.db2.gz LIAQVLMDCSZMLR-NSHDSACASA-N -1 3 320.241 3.238 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCC1(C)C ZINC000799461147 626303164 /nfs/dbraw/zinc/30/31/64/626303164.db2.gz BSLMLSGJOXIFGR-HNNXBMFYSA-N -1 3 316.401 3.330 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2ccc(OC(F)F)cc2F)c1O ZINC000800791034 626374465 /nfs/dbraw/zinc/37/44/65/626374465.db2.gz ZAGFVHCABYPKGM-UHFFFAOYSA-N -1 3 313.231 3.295 20 30 DGEDHM COC(=O)c1c(F)cccc1NN=Cc1c([O-])cccc1Cl ZINC000800818327 626377128 /nfs/dbraw/zinc/37/71/28/626377128.db2.gz SBDYLWLGJPFIKV-UHFFFAOYSA-N -1 3 322.723 3.417 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCC[C@@H]1F ZINC000811054098 627084396 /nfs/dbraw/zinc/08/43/96/627084396.db2.gz UJBOUHYCVJVKPY-GJZGRUSLSA-N -1 3 320.364 3.032 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2c3ccccc3CC[C@@H]2F)c1[O-] ZINC000887270236 627239692 /nfs/dbraw/zinc/23/96/92/627239692.db2.gz JQNAQKZIKHZIIJ-XMDWFTQASA-N -1 3 314.360 3.032 20 30 DGEDHM CC(C)Oc1cccc(COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811184611 627254415 /nfs/dbraw/zinc/25/44/15/627254415.db2.gz ATKWWWRTTYTURY-UHFFFAOYSA-N -1 3 311.337 3.408 20 30 DGEDHM CCc1cccc(C(=O)N(C)Cc2cc(C#N)cs2)c1[O-] ZINC000887969580 627350380 /nfs/dbraw/zinc/35/03/80/627350380.db2.gz GEEDUYDDPKZJEE-UHFFFAOYSA-N -1 3 300.383 3.160 20 30 DGEDHM CCc1ccc([O-])c(C(=O)N(C)Cc2cc(C#N)cs2)c1 ZINC000887969945 627350946 /nfs/dbraw/zinc/35/09/46/627350946.db2.gz ORVLJWNIOBIIDN-UHFFFAOYSA-N -1 3 300.383 3.160 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H](CCCC#N)c2ccccc2)c1[O-] ZINC000814184340 627547876 /nfs/dbraw/zinc/54/78/76/627547876.db2.gz ZLPJNTPGPUANGQ-WQFTWXBESA-N -1 3 323.396 3.442 20 30 DGEDHM CCc1cc2c(CN(C)CC(C)(C)C#N)cc(=O)oc2cc1[O-] ZINC000814667750 627582569 /nfs/dbraw/zinc/58/25/69/627582569.db2.gz WECMTDJHJIPMCW-UHFFFAOYSA-N -1 3 314.385 3.043 20 30 DGEDHM C=CCC(F)(F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000815008005 627616491 /nfs/dbraw/zinc/61/64/91/627616491.db2.gz KVSTXNJICRWZAS-UHFFFAOYSA-N -1 3 306.106 3.305 20 30 DGEDHM CC[C@H](NCc1cn2ccsc2n1)c1cccc(C#N)c1[O-] ZINC000924801205 627681253 /nfs/dbraw/zinc/68/12/53/627681253.db2.gz NXZYBANHYPDPIP-AWEZNQCLSA-N -1 3 312.398 3.214 20 30 DGEDHM CC[C@@H](NCc1cn2ccsc2n1)c1cccc(C#N)c1[O-] ZINC000924801208 627681324 /nfs/dbraw/zinc/68/13/24/627681324.db2.gz NXZYBANHYPDPIP-CQSZACIVSA-N -1 3 312.398 3.214 20 30 DGEDHM c1ccc2c(c1)CCC[C@@H]2CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819719004 628183310 /nfs/dbraw/zinc/18/33/10/628183310.db2.gz WTIVGRVDSHUYFM-OAHLLOKOSA-N -1 3 318.384 3.385 20 30 DGEDHM c1ccc2c(c1)CCC[C@@H]2CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819719004 628183312 /nfs/dbraw/zinc/18/33/12/628183312.db2.gz WTIVGRVDSHUYFM-OAHLLOKOSA-N -1 3 318.384 3.385 20 30 DGEDHM C=C(C)COc1cccc(NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819722982 628183340 /nfs/dbraw/zinc/18/33/40/628183340.db2.gz SVCXHFPURPWYNS-UHFFFAOYSA-N -1 3 321.384 3.434 20 30 DGEDHM C=C(C)COc1cccc(NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819722982 628183341 /nfs/dbraw/zinc/18/33/41/628183341.db2.gz SVCXHFPURPWYNS-UHFFFAOYSA-N -1 3 321.384 3.434 20 30 DGEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C1CC1 ZINC000819718464 628183367 /nfs/dbraw/zinc/18/33/67/628183367.db2.gz IKPUCXYBVLLMFS-UHFFFAOYSA-N -1 3 304.357 3.190 20 30 DGEDHM CC(C)(C#N)CCCNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000819891990 628196890 /nfs/dbraw/zinc/19/68/90/628196890.db2.gz OWPLMVCKKYANGF-UHFFFAOYSA-N -1 3 304.785 3.262 20 30 DGEDHM CC(C)(C#N)CCCNc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000819891990 628196894 /nfs/dbraw/zinc/19/68/94/628196894.db2.gz OWPLMVCKKYANGF-UHFFFAOYSA-N -1 3 304.785 3.262 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCC[C@@H]2CC2(Cl)Cl)c1 ZINC000820527355 628268856 /nfs/dbraw/zinc/26/88/56/628268856.db2.gz LBKQOBPGJHTXDL-SNVBAGLBSA-N -1 3 300.141 3.005 20 30 DGEDHM CC1(C)CCCC(=Cc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000820589505 628275659 /nfs/dbraw/zinc/27/56/59/628275659.db2.gz GNPFELZPPABKPG-DHZHZOJOSA-N -1 3 300.337 3.168 20 30 DGEDHM CC1(C)CCCC(=Cc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000820589505 628275661 /nfs/dbraw/zinc/27/56/61/628275661.db2.gz GNPFELZPPABKPG-DHZHZOJOSA-N -1 3 300.337 3.168 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000822225081 628430658 /nfs/dbraw/zinc/43/06/58/628430658.db2.gz NIWDKDHNGBWISE-ARJAWSKDSA-N -1 3 302.384 3.194 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000822225081 628430677 /nfs/dbraw/zinc/43/06/77/628430677.db2.gz NIWDKDHNGBWISE-ARJAWSKDSA-N -1 3 302.384 3.194 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822274828 628435073 /nfs/dbraw/zinc/43/50/73/628435073.db2.gz KHFUZBDWEVJKFY-VGOFMYFVSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822274828 628435074 /nfs/dbraw/zinc/43/50/74/628435074.db2.gz KHFUZBDWEVJKFY-VGOFMYFVSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822299788 628437994 /nfs/dbraw/zinc/43/79/94/628437994.db2.gz VCHRBIVRBKNYHT-XNTDXEJSSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822299788 628437996 /nfs/dbraw/zinc/43/79/96/628437996.db2.gz VCHRBIVRBKNYHT-XNTDXEJSSA-N -1 3 316.364 3.388 20 30 DGEDHM Fc1c(Cl)cccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000822737487 628487282 /nfs/dbraw/zinc/48/72/82/628487282.db2.gz XFFTWXDHKREYLQ-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1ccc(C#CCSc2ccccc2-c2nnn[n-]2)cc1 ZINC000822766959 628491974 /nfs/dbraw/zinc/49/19/74/628491974.db2.gz QPBKWARDOVHQQN-UHFFFAOYSA-N -1 3 310.357 3.150 20 30 DGEDHM Fc1ccc(C#CCSc2ccccc2-c2nn[n-]n2)cc1 ZINC000822766959 628491976 /nfs/dbraw/zinc/49/19/76/628491976.db2.gz QPBKWARDOVHQQN-UHFFFAOYSA-N -1 3 310.357 3.150 20 30 DGEDHM N#CCCCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822806800 628497637 /nfs/dbraw/zinc/49/76/37/628497637.db2.gz TZGOPDJNQPXXMR-UHFFFAOYSA-N -1 3 317.418 3.063 20 30 DGEDHM N#CCCCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822806800 628497641 /nfs/dbraw/zinc/49/76/41/628497641.db2.gz TZGOPDJNQPXXMR-UHFFFAOYSA-N -1 3 317.418 3.063 20 30 DGEDHM N#CCOc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000822814990 628498190 /nfs/dbraw/zinc/49/81/90/628498190.db2.gz MPTOUODWVYWTTC-UHFFFAOYSA-N -1 3 323.381 3.061 20 30 DGEDHM N#CCOc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000822814990 628498195 /nfs/dbraw/zinc/49/81/95/628498195.db2.gz MPTOUODWVYWTTC-UHFFFAOYSA-N -1 3 323.381 3.061 20 30 DGEDHM N#Cc1ccccc1SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822842369 628501429 /nfs/dbraw/zinc/50/14/29/628501429.db2.gz FJGUICJEESNILT-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822842369 628501432 /nfs/dbraw/zinc/50/14/32/628501432.db2.gz FJGUICJEESNILT-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM C(=NNc1cccc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000823868376 628604884 /nfs/dbraw/zinc/60/48/84/628604884.db2.gz YSXOYINGFLQRSK-UHFFFAOYSA-N -1 3 314.352 3.466 20 30 DGEDHM C(=NNc1cccc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000823868376 628604887 /nfs/dbraw/zinc/60/48/87/628604887.db2.gz YSXOYINGFLQRSK-UHFFFAOYSA-N -1 3 314.352 3.466 20 30 DGEDHM C=CCCC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823888618 628607235 /nfs/dbraw/zinc/60/72/35/628607235.db2.gz RVSAOKTYMUXYPP-UHFFFAOYSA-N -1 3 308.794 3.148 20 30 DGEDHM C=CCCC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823888618 628607238 /nfs/dbraw/zinc/60/72/38/628607238.db2.gz RVSAOKTYMUXYPP-UHFFFAOYSA-N -1 3 308.794 3.148 20 30 DGEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)s1)Cc1ccccc1 ZINC000823919978 628610266 /nfs/dbraw/zinc/61/02/66/628610266.db2.gz VHKZYEJUEAESTH-UHFFFAOYSA-N -1 3 311.414 3.116 20 30 DGEDHM CC1(C)CCCC(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000824802445 628695213 /nfs/dbraw/zinc/69/52/13/628695213.db2.gz MZRBIRXMVFTZEJ-DHZHZOJOSA-N -1 3 300.337 3.168 20 30 DGEDHM CC1(C)CCCC(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000824802445 628695215 /nfs/dbraw/zinc/69/52/15/628695215.db2.gz MZRBIRXMVFTZEJ-DHZHZOJOSA-N -1 3 300.337 3.168 20 30 DGEDHM CC[C@H]1CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000825194899 628737016 /nfs/dbraw/zinc/73/70/16/628737016.db2.gz SPWIPEIFAFHQLG-VIFPVBQESA-N -1 3 319.800 3.283 20 30 DGEDHM CC[C@H]1CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000825194899 628737019 /nfs/dbraw/zinc/73/70/19/628737019.db2.gz SPWIPEIFAFHQLG-VIFPVBQESA-N -1 3 319.800 3.283 20 30 DGEDHM C[C@H](NC(=O)[O-])c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000825403153 628758308 /nfs/dbraw/zinc/75/83/08/628758308.db2.gz SYXSKHRHPSVNCF-ZDUSSCGKSA-N -1 3 309.369 3.177 20 30 DGEDHM C[C@H](NCc1ccc(CCNC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000825503338 628769696 /nfs/dbraw/zinc/76/96/96/628769696.db2.gz QWBFSYOOWZQPMF-AWEZNQCLSA-N -1 3 323.396 3.219 20 30 DGEDHM COc1ccc([C@H](C)CN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826188443 628833014 /nfs/dbraw/zinc/83/30/14/628833014.db2.gz XGXSSNOONYRTKG-GFCCVEGCSA-N -1 3 322.372 3.077 20 30 DGEDHM COc1ccc([C@H](C)CN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826188443 628833016 /nfs/dbraw/zinc/83/30/16/628833016.db2.gz XGXSSNOONYRTKG-GFCCVEGCSA-N -1 3 322.372 3.077 20 30 DGEDHM Cc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826316452 628844762 /nfs/dbraw/zinc/84/47/62/628844762.db2.gz OOBBJZYJOUUZHO-SNAWJCMRSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826316452 628844766 /nfs/dbraw/zinc/84/47/66/628844766.db2.gz OOBBJZYJOUUZHO-SNAWJCMRSA-N -1 3 314.345 3.272 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc2c(s1)CCC2 ZINC000826401830 628851871 /nfs/dbraw/zinc/85/18/71/628851871.db2.gz HSSCSRYNRYDEFQ-CMDGGOBGSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc2c(s1)CCC2 ZINC000826401830 628851874 /nfs/dbraw/zinc/85/18/74/628851874.db2.gz HSSCSRYNRYDEFQ-CMDGGOBGSA-N -1 3 322.393 3.313 20 30 DGEDHM C#C[C@H](CC)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000830362004 629258782 /nfs/dbraw/zinc/25/87/82/629258782.db2.gz YNMUNKWLBIVEET-SECBINFHSA-N -1 3 316.145 3.069 20 30 DGEDHM CC[C@@](NCc1ccc(C#N)cc1OC)(C(=O)[O-])c1ccccc1 ZINC000833645064 629635468 /nfs/dbraw/zinc/63/54/68/629635468.db2.gz TYSQDVRPKMDHAM-IBGZPJMESA-N -1 3 324.380 3.047 20 30 DGEDHM N#Cc1ccc(CN[C@@H]2C[C@@H](NC(=O)[O-])c3ccccc32)cc1 ZINC000833971918 629663761 /nfs/dbraw/zinc/66/37/61/629663761.db2.gz QIRVFGNSFDTMKU-IAGOWNOFSA-N -1 3 307.353 3.102 20 30 DGEDHM C#C[C@@H](CC)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000834381193 629702499 /nfs/dbraw/zinc/70/24/99/629702499.db2.gz JBIJWPHYHVYODE-NSHDSACASA-N -1 3 316.145 3.069 20 30 DGEDHM COCC1(CC/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000843266089 630638382 /nfs/dbraw/zinc/63/83/82/630638382.db2.gz JVPMNDCJBWXPNZ-SXGWCWSVSA-N -1 3 312.207 3.390 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccnn2CC(C)C)ccc1[O-] ZINC000843269142 630639404 /nfs/dbraw/zinc/63/94/04/630639404.db2.gz OIXSNABNWISKSK-ALCCZGGFSA-N -1 3 300.358 3.149 20 30 DGEDHM N#C[C@@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C1CCCCC1 ZINC000845190842 631130019 /nfs/dbraw/zinc/13/00/19/631130019.db2.gz ALDOZRPKPLANKS-GFCCVEGCSA-N -1 3 308.765 3.257 20 30 DGEDHM N#CC(C(=O)[C@@H]1CC1(Cl)Cl)=C([O-])C1(c2ccccc2)CC1 ZINC000845839450 631198362 /nfs/dbraw/zinc/19/83/62/631198362.db2.gz HNNKSJJPICGPPN-NEPJUHHUSA-N -1 3 322.191 3.190 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1CC1(Cl)Cl ZINC000845839450 631198364 /nfs/dbraw/zinc/19/83/64/631198364.db2.gz HNNKSJJPICGPPN-NEPJUHHUSA-N -1 3 322.191 3.190 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C1CC(F)(F)C1 ZINC000845841723 631198507 /nfs/dbraw/zinc/19/85/07/631198507.db2.gz PLFKQWFPGOJBSL-ZDUSSCGKSA-N -1 3 303.308 3.041 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1CCC(F)(F)C1 ZINC000845845224 631198887 /nfs/dbraw/zinc/19/88/87/631198887.db2.gz MWPMLMBEWXTEKQ-OCCSQVGLSA-N -1 3 317.335 3.432 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(Br)c(C)c1 ZINC000846548352 631258787 /nfs/dbraw/zinc/25/87/87/631258787.db2.gz SWDBRAKWTDOJPQ-NSHDSACASA-N -1 3 312.207 3.312 20 30 DGEDHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCCCC#N)c2)n1 ZINC000847651145 631504934 /nfs/dbraw/zinc/50/49/34/631504934.db2.gz AJNFVXXMXBFULC-UHFFFAOYSA-N -1 3 311.341 3.147 20 30 DGEDHM C=CCCCCCCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848098616 631611368 /nfs/dbraw/zinc/61/13/68/631611368.db2.gz OIABZYASFOGYPY-UHFFFAOYSA-N -1 3 303.406 3.316 20 30 DGEDHM C=CC[C@@H]1CCCC[C@H]1OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000851142863 632321741 /nfs/dbraw/zinc/32/17/41/632321741.db2.gz ZRYBRXJCNBPNOW-UKRRQHHQSA-N -1 3 304.390 3.020 20 30 DGEDHM C=CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H](C)COC ZINC000852358098 632594850 /nfs/dbraw/zinc/59/48/50/632594850.db2.gz MKBJGIIQJVSOOL-LLVKDONJSA-N -1 3 311.809 3.271 20 30 DGEDHM CCCCCCC[C@@H](C)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000132582268 660524069 /nfs/dbraw/zinc/52/40/69/660524069.db2.gz RRUVJVYIYBNBBX-CYBMUJFWSA-N -1 3 321.465 3.042 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(C3CC3)cc2F)c1[O-] ZINC000793656248 661051906 /nfs/dbraw/zinc/05/19/06/661051906.db2.gz RNQNFBKZOFMMMD-UKWGHVSLSA-N -1 3 314.360 3.224 20 30 DGEDHM COc1cccc2c1OC/C(=C\c1c(F)ccc([O-])c1F)C2=O ZINC000794939158 661115279 /nfs/dbraw/zinc/11/52/79/661115279.db2.gz TVSCPOPQCCJZJO-VQHVLOKHSA-N -1 3 318.275 3.338 20 30 DGEDHM COc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000254954370 655548613 /nfs/dbraw/zinc/54/86/13/655548613.db2.gz BTETWUREZUFRBH-TWGQIWQCSA-N -1 3 314.337 3.314 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccn(-c3ccccc3)n2)ccc1[O-] ZINC000255064504 655589334 /nfs/dbraw/zinc/58/93/34/655589334.db2.gz LAXULKRLOMRIBR-NTMALXAHSA-N -1 3 320.348 3.483 20 30 DGEDHM CC(C)(C)C[C@@H](O)C/N=C\c1cc(Br)ccc1[O-] ZINC000255200675 655644222 /nfs/dbraw/zinc/64/42/22/655644222.db2.gz ZAZOBKASGYSFQC-VJMCZWTHSA-N -1 3 314.223 3.371 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCc1nccs1 ZINC000050234228 655647912 /nfs/dbraw/zinc/64/79/12/655647912.db2.gz GJAVVVRQQLZCMM-RIYZIHGNSA-N -1 3 311.204 3.273 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccccc2C#N)c(OC)cc1[O-] ZINC000255506657 655775642 /nfs/dbraw/zinc/77/56/42/655775642.db2.gz WAPIMXHVGFGDQI-FPLPWBNLSA-N -1 3 309.321 3.177 20 30 DGEDHM O=C(C/N=C\c1cc(Cl)ccc1[O-])OCc1ccccc1 ZINC000255542721 655793272 /nfs/dbraw/zinc/79/32/72/655793272.db2.gz SCLJYWHSJVBRHA-NVMNQCDNSA-N -1 3 303.745 3.208 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cccc(C#N)c2)c(OC)cc1[O-] ZINC000255548383 655794495 /nfs/dbraw/zinc/79/44/95/655794495.db2.gz OBWMPVDRUJAMIF-SREVYHEPSA-N -1 3 309.321 3.177 20 30 DGEDHM CC[C@@H](CC#N)NCc1cc(Br)cc(F)c1[O-] ZINC000715744565 661214046 /nfs/dbraw/zinc/21/40/46/661214046.db2.gz FZUAHZQSBMPYDJ-JTQLQIEISA-N -1 3 301.159 3.076 20 30 DGEDHM Cc1ccccc1OCCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188382 661231326 /nfs/dbraw/zinc/23/13/26/661231326.db2.gz HXQUSGFRRVIIAI-UHFFFAOYSA-N -1 3 311.337 3.198 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)COc1ccc(F)cc1 ZINC000066887788 656307414 /nfs/dbraw/zinc/30/74/14/656307414.db2.gz DZBDXSRSBWAISS-YUYIWDJPSA-N -1 3 323.751 3.044 20 30 DGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccs1 ZINC000128909437 657053655 /nfs/dbraw/zinc/05/36/55/657053655.db2.gz YVQVLQUWTJBHKR-NSHDSACASA-N -1 3 314.366 3.108 20 30 DGEDHM COc1cccc([C@H](O)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000304022367 657701811 /nfs/dbraw/zinc/70/18/11/657701811.db2.gz YLXXQOGZGNRJJM-TWIVVOHQSA-N -1 3 305.761 3.207 20 30 DGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccs1 ZINC000128909659 658802077 /nfs/dbraw/zinc/80/20/77/658802077.db2.gz YVQVLQUWTJBHKR-LLVKDONJSA-N -1 3 314.366 3.108 20 30 DGEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000054702086 658888595 /nfs/dbraw/zinc/88/85/95/658888595.db2.gz QAISUMVRKRVOCT-INIZCTEOSA-N -1 3 312.756 3.245 20 30 DGEDHM Cc1ccc(N(CCC#N)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000182248397 660039730 /nfs/dbraw/zinc/03/97/30/660039730.db2.gz PJLXPRITSDJILP-UHFFFAOYSA-N -1 3 310.353 3.275 20 30 DGEDHM C=C[C@@H](CC)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000934945633 661750437 /nfs/dbraw/zinc/75/04/37/661750437.db2.gz OOQRBQMADUYUDZ-JTQLQIEISA-N -1 3 312.207 3.373 20 30 DGEDHM CCCCCCCCNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001577505685 1191906232 /nfs/dbraw/zinc/90/62/32/1191906232.db2.gz NKBYNIMVHMGLTK-UHFFFAOYSA-N -1 3 319.384 3.096 20 30 DGEDHM CCCCCCCCNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001577505685 1191906234 /nfs/dbraw/zinc/90/62/34/1191906234.db2.gz NKBYNIMVHMGLTK-UHFFFAOYSA-N -1 3 319.384 3.096 20 30 DGEDHM N#CCCCCC(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001581857476 1192079848 /nfs/dbraw/zinc/07/98/48/1192079848.db2.gz AYLNBZQTBQYLLQ-UHFFFAOYSA-N -1 3 320.356 3.042 20 30 DGEDHM N#CCCCCC(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001581857476 1192079851 /nfs/dbraw/zinc/07/98/51/1192079851.db2.gz AYLNBZQTBQYLLQ-UHFFFAOYSA-N -1 3 320.356 3.042 20 30 DGEDHM C#Cc1cccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)c1 ZINC001585016360 1192236961 /nfs/dbraw/zinc/23/69/61/1192236961.db2.gz YTVBYWBCEQIBNA-UHFFFAOYSA-N -1 3 321.273 3.354 20 30 DGEDHM C#CC[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001588333952 1192445207 /nfs/dbraw/zinc/44/52/07/1192445207.db2.gz JKZVBJDDVXJEOT-OAHLLOKOSA-N -1 3 321.359 3.052 20 30 DGEDHM C=C(Br)CSc1ccc(C)cc1-c1nnn[n-]1 ZINC001588391398 1192446159 /nfs/dbraw/zinc/44/61/59/1192446159.db2.gz JBNWGNNMNHRFCN-UHFFFAOYSA-N -1 3 311.208 3.176 20 30 DGEDHM C=C(Br)CSc1ccc(C)cc1-c1nn[n-]n1 ZINC001588391398 1192446166 /nfs/dbraw/zinc/44/61/66/1192446166.db2.gz JBNWGNNMNHRFCN-UHFFFAOYSA-N -1 3 311.208 3.176 20 30 DGEDHM C=CC(C)(C)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588487986 1192448976 /nfs/dbraw/zinc/44/89/76/1192448976.db2.gz CZSWAFXGBJPUEN-UHFFFAOYSA-N -1 3 308.183 3.006 20 30 DGEDHM C=CC(C)(C)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588487986 1192448979 /nfs/dbraw/zinc/44/89/79/1192448979.db2.gz CZSWAFXGBJPUEN-UHFFFAOYSA-N -1 3 308.183 3.006 20 30 DGEDHM C=CC(C)(C)CCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001588488013 1192449160 /nfs/dbraw/zinc/44/91/60/1192449160.db2.gz DSWFJCFMHPUOLE-UHFFFAOYSA-N -1 3 306.801 3.238 20 30 DGEDHM C=CC(C)(C)CCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001588488013 1192449162 /nfs/dbraw/zinc/44/91/62/1192449162.db2.gz DSWFJCFMHPUOLE-UHFFFAOYSA-N -1 3 306.801 3.238 20 30 DGEDHM C=Cc1ccc(CCNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001588733839 1192452588 /nfs/dbraw/zinc/45/25/88/1192452588.db2.gz FHVXZDVXCFZTTA-UHFFFAOYSA-N -1 3 316.368 3.036 20 30 DGEDHM C=Cc1ccc(CCNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001588733839 1192452590 /nfs/dbraw/zinc/45/25/90/1192452590.db2.gz FHVXZDVXCFZTTA-UHFFFAOYSA-N -1 3 316.368 3.036 20 30 DGEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)c(C)c1)c1ccccc1 ZINC001588635859 1192451854 /nfs/dbraw/zinc/45/18/54/1192451854.db2.gz YZGONYFFQGDYHA-UHFFFAOYSA-N -1 3 305.385 3.368 20 30 DGEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)c(C)c1)c1ccccc1 ZINC001588635859 1192451855 /nfs/dbraw/zinc/45/18/55/1192451855.db2.gz YZGONYFFQGDYHA-UHFFFAOYSA-N -1 3 305.385 3.368 20 30 DGEDHM CC(=NNc1c(C)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC001588777465 1192454205 /nfs/dbraw/zinc/45/42/05/1192454205.db2.gz YYYRZYRSHMWDDO-UHFFFAOYSA-N -1 3 316.365 3.212 20 30 DGEDHM C[C@H](c1cccc(C#N)c1)N(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001590048334 1192485502 /nfs/dbraw/zinc/48/55/02/1192485502.db2.gz FUUPRHVSJZMMKY-LLVKDONJSA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@H](c1cccc(C#N)c1)N(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001590048334 1192485504 /nfs/dbraw/zinc/48/55/04/1192485504.db2.gz FUUPRHVSJZMMKY-LLVKDONJSA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC001590161984 1192492890 /nfs/dbraw/zinc/49/28/90/1192492890.db2.gz JDLIHCPOEZSKFG-VUPJLDGMSA-N -1 3 308.366 3.312 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC001590161984 1192492893 /nfs/dbraw/zinc/49/28/93/1192492893.db2.gz JDLIHCPOEZSKFG-VUPJLDGMSA-N -1 3 308.366 3.312 20 30 DGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CCCC1 ZINC001590359302 1192502758 /nfs/dbraw/zinc/50/27/58/1192502758.db2.gz YLKKIMCJZDTVIK-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CCCC1 ZINC001590359302 1192502761 /nfs/dbraw/zinc/50/27/61/1192502761.db2.gz YLKKIMCJZDTVIK-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CC[C@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001590420290 1192507961 /nfs/dbraw/zinc/50/79/61/1192507961.db2.gz VXGHXQLEWUOOJP-OAHLLOKOSA-N -1 3 320.400 3.136 20 30 DGEDHM CC[C@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001590420290 1192507962 /nfs/dbraw/zinc/50/79/62/1192507962.db2.gz VXGHXQLEWUOOJP-OAHLLOKOSA-N -1 3 320.400 3.136 20 30 DGEDHM CCCCCCCCNC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590592251 1192528584 /nfs/dbraw/zinc/52/85/84/1192528584.db2.gz KBWQEJZXCSCBKZ-UHFFFAOYSA-N -1 3 315.421 3.265 20 30 DGEDHM CCCCCCCCNC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590592251 1192528586 /nfs/dbraw/zinc/52/85/86/1192528586.db2.gz KBWQEJZXCSCBKZ-UHFFFAOYSA-N -1 3 315.421 3.265 20 30 DGEDHM CCOc1cccc(C=Nc2cc(-c3nnn[n-]3)ccc2C)c1O ZINC001590841923 1192543265 /nfs/dbraw/zinc/54/32/65/1192543265.db2.gz DKALVNHFNDAQGZ-UHFFFAOYSA-N -1 3 323.356 3.030 20 30 DGEDHM CCOc1cccc(C=Nc2cc(-c3nn[n-]n3)ccc2C)c1O ZINC001590841923 1192543286 /nfs/dbraw/zinc/54/32/86/1192543286.db2.gz DKALVNHFNDAQGZ-UHFFFAOYSA-N -1 3 323.356 3.030 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001590884469 1192553717 /nfs/dbraw/zinc/55/37/17/1192553717.db2.gz CZUIZGXGAGXBKS-UITAMQMPSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001590884469 1192553727 /nfs/dbraw/zinc/55/37/27/1192553727.db2.gz CZUIZGXGAGXBKS-UITAMQMPSA-N -1 3 310.382 3.387 20 30 DGEDHM CO[C@H](c1ccccc1)C(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001591315648 1192561462 /nfs/dbraw/zinc/56/14/62/1192561462.db2.gz YVEKAACXTSIINL-INIZCTEOSA-N -1 3 322.372 3.042 20 30 DGEDHM CO[C@H](c1ccccc1)C(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001591315648 1192561467 /nfs/dbraw/zinc/56/14/67/1192561467.db2.gz YVEKAACXTSIINL-INIZCTEOSA-N -1 3 322.372 3.042 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC001591906791 1192579899 /nfs/dbraw/zinc/57/98/99/1192579899.db2.gz HWYXPHPQWRKKSO-VMPITWQZSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC001591906791 1192579902 /nfs/dbraw/zinc/57/99/02/1192579902.db2.gz HWYXPHPQWRKKSO-VMPITWQZSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(Sc2cc(F)ccc2C#N)ccc1-c1nnn[n-]1 ZINC001592067790 1192592280 /nfs/dbraw/zinc/59/22/80/1192592280.db2.gz DTHLRBHJYGWEQZ-UHFFFAOYSA-N -1 3 311.345 3.337 20 30 DGEDHM Cc1cc(Sc2cc(F)ccc2C#N)ccc1-c1nn[n-]n1 ZINC001592067790 1192592285 /nfs/dbraw/zinc/59/22/85/1192592285.db2.gz DTHLRBHJYGWEQZ-UHFFFAOYSA-N -1 3 311.345 3.337 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc2cccnc2c1 ZINC001592700513 1192627043 /nfs/dbraw/zinc/62/70/43/1192627043.db2.gz JDKXPXIFPLKVKV-UHFFFAOYSA-N -1 3 314.308 3.079 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc2cccnc2c1 ZINC001592700513 1192627047 /nfs/dbraw/zinc/62/70/47/1192627047.db2.gz JDKXPXIFPLKVKV-UHFFFAOYSA-N -1 3 314.308 3.079 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2ccccc12 ZINC001592792144 1192627498 /nfs/dbraw/zinc/62/74/98/1192627498.db2.gz WOQILBPUOVRRCE-JXMROGBWSA-N -1 3 315.336 3.244 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccccc12 ZINC001592792144 1192627501 /nfs/dbraw/zinc/62/75/01/1192627501.db2.gz WOQILBPUOVRRCE-JXMROGBWSA-N -1 3 315.336 3.244 20 30 DGEDHM N#Cc1cccc(SCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001592700073 1192627747 /nfs/dbraw/zinc/62/77/47/1192627747.db2.gz ABZLAKCJTKZPSB-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(SCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001592700073 1192627749 /nfs/dbraw/zinc/62/77/49/1192627749.db2.gz ABZLAKCJTKZPSB-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001592795307 1192627804 /nfs/dbraw/zinc/62/78/04/1192627804.db2.gz XOGMCVOAHDKMIU-WTKPLQERSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001592795307 1192627806 /nfs/dbraw/zinc/62/78/06/1192627806.db2.gz XOGMCVOAHDKMIU-WTKPLQERSA-N -1 3 310.744 3.416 20 30 DGEDHM CC(C)c1nnsc1C(=O)[N-]c1cc(C#N)c(F)cc1F ZINC001597373622 1192730258 /nfs/dbraw/zinc/73/02/58/1192730258.db2.gz PGCWDLHUZMRIAX-UHFFFAOYSA-N -1 3 308.313 3.064 20 30 DGEDHM C#Cc1ccc([N-]C(=O)c2nnc(-c3ccco3)o2)c(Cl)c1 ZINC001598583125 1192776604 /nfs/dbraw/zinc/77/66/04/1192776604.db2.gz YHMYBUKBLPCXHB-UHFFFAOYSA-N -1 3 313.700 3.217 20 30 DGEDHM Cc1ccc(CN[C@H](C)c2cc(C(=O)[O-])cs2)cc1C#N ZINC001600418769 1192849438 /nfs/dbraw/zinc/84/94/38/1192849438.db2.gz GXUSNVXMPCIJNT-LLVKDONJSA-N -1 3 300.383 3.477 20 30 DGEDHM N#CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])c3cccnc23)C1 ZINC001601064237 1192915320 /nfs/dbraw/zinc/91/53/20/1192915320.db2.gz PRPZYZYXWNNQTO-ZDUSSCGKSA-N -1 3 309.369 3.059 20 30 DGEDHM N#Cc1c(F)cccc1CNC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001601082272 1192916498 /nfs/dbraw/zinc/91/64/98/1192916498.db2.gz JAZNTQWMBQWMNF-OAHLLOKOSA-N -1 3 304.365 3.068 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c(C)c1 ZINC001342605046 1179159173 /nfs/dbraw/zinc/15/91/73/1179159173.db2.gz JGZYKNUGYBKXJY-HNNXBMFYSA-N -1 3 316.364 3.319 20 30 DGEDHM N#CC(=C([O-])c1cnc2c(F)cccc2c1)c1cccc(F)n1 ZINC001342610518 1179160499 /nfs/dbraw/zinc/16/04/99/1179160499.db2.gz MYXIBVPHQJKDHN-GFCCVEGCSA-N -1 3 309.275 3.398 20 30 DGEDHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2cccc(F)n2)ccn1 ZINC001344025092 1179366660 /nfs/dbraw/zinc/36/66/60/1179366660.db2.gz YHAQEIRQUOJPBE-AAEUAGOBSA-N -1 3 313.332 3.283 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(C(F)F)ccc1F ZINC001344322254 1179413061 /nfs/dbraw/zinc/41/30/61/1179413061.db2.gz KOJLXVMPPFJAFV-NSHDSACASA-N -1 3 307.275 3.470 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cnn(C2CCCCC2)c1 ZINC001344875497 1179490731 /nfs/dbraw/zinc/49/07/31/1179490731.db2.gz SLRSQVVSYGOWCC-HNNXBMFYSA-N -1 3 311.389 3.095 20 30 DGEDHM O=C([O-])c1ccc2cc(CCNCC#Cc3ccccc3)oc2c1 ZINC001602428234 1192979123 /nfs/dbraw/zinc/97/91/23/1192979123.db2.gz NIBCBNSUBHFSAH-UHFFFAOYSA-N -1 3 319.360 3.315 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1sc(CC2CC2)nc1C ZINC001347338777 1179797490 /nfs/dbraw/zinc/79/74/90/1179797490.db2.gz VJZPZEBGWYVOQB-LBPRGKRZSA-N -1 3 314.414 3.111 20 30 DGEDHM C#CC1CCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001602690718 1192994680 /nfs/dbraw/zinc/99/46/80/1192994680.db2.gz HDQYYYYCSFODFU-UHFFFAOYSA-N -1 3 314.780 3.111 20 30 DGEDHM C#CC1CCC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001602690718 1192994681 /nfs/dbraw/zinc/99/46/81/1192994681.db2.gz HDQYYYYCSFODFU-UHFFFAOYSA-N -1 3 314.780 3.111 20 30 DGEDHM C=C(C)CSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC001602763685 1192996708 /nfs/dbraw/zinc/99/67/08/1192996708.db2.gz XTPDHASDKHLTSA-UHFFFAOYSA-N -1 3 315.324 3.257 20 30 DGEDHM C=CCCCC[C@@H](C)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602834214 1192999767 /nfs/dbraw/zinc/99/97/67/1192999767.db2.gz KZEXHABAGARREY-GFCCVEGCSA-N -1 3 301.394 3.422 20 30 DGEDHM C=CCCCC[C@@H](C)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602834214 1192999768 /nfs/dbraw/zinc/99/97/68/1192999768.db2.gz KZEXHABAGARREY-GFCCVEGCSA-N -1 3 301.394 3.422 20 30 DGEDHM CC(C)(C#N)CCCCOc1ccc(-c2nnn[n-]2)cc1F ZINC001603034547 1193005921 /nfs/dbraw/zinc/00/59/21/1193005921.db2.gz HYRIAAVNISSJDC-UHFFFAOYSA-N -1 3 303.341 3.105 20 30 DGEDHM CC(C)(C#N)CCCCOc1ccc(-c2nn[n-]n2)cc1F ZINC001603034547 1193005923 /nfs/dbraw/zinc/00/59/23/1193005923.db2.gz HYRIAAVNISSJDC-UHFFFAOYSA-N -1 3 303.341 3.105 20 30 DGEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC001603190273 1193010676 /nfs/dbraw/zinc/01/06/76/1193010676.db2.gz JQUUJZPMGXKZKL-SJKOYZFVSA-N -1 3 312.344 3.249 20 30 DGEDHM CC(CCc1ccsc1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001603502691 1193019039 /nfs/dbraw/zinc/01/90/39/1193019039.db2.gz GKCIGXQHZXPYAV-UHFFFAOYSA-N -1 3 312.402 3.349 20 30 DGEDHM CC(CCc1ccsc1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001603502691 1193019043 /nfs/dbraw/zinc/01/90/43/1193019043.db2.gz GKCIGXQHZXPYAV-UHFFFAOYSA-N -1 3 312.402 3.349 20 30 DGEDHM CC1(C)CN(c2c(C#N)cccc2-c2nnn[n-]2)c2ccccc21 ZINC001603788294 1193031739 /nfs/dbraw/zinc/03/17/39/1193031739.db2.gz UVDOIFOORUIRBN-UHFFFAOYSA-N -1 3 316.368 3.168 20 30 DGEDHM CC1(C)CN(c2c(C#N)cccc2-c2nn[n-]n2)c2ccccc21 ZINC001603788294 1193031740 /nfs/dbraw/zinc/03/17/40/1193031740.db2.gz UVDOIFOORUIRBN-UHFFFAOYSA-N -1 3 316.368 3.168 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]1C ZINC001603839220 1193034278 /nfs/dbraw/zinc/03/42/78/1193034278.db2.gz FRSCNDCJOWBVLF-SFYZADRCSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]1C ZINC001603839220 1193034281 /nfs/dbraw/zinc/03/42/81/1193034281.db2.gz FRSCNDCJOWBVLF-SFYZADRCSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@H](CN1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001604165187 1193057086 /nfs/dbraw/zinc/05/70/86/1193057086.db2.gz MYQRSJDDVZININ-GFCCVEGCSA-N -1 3 306.793 3.134 20 30 DGEDHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc(Cl)cc(C#N)c1 ZINC001604651646 1193086043 /nfs/dbraw/zinc/08/60/43/1193086043.db2.gz BDMWVPNKLJIOHE-GHMZBOCLSA-N -1 3 306.793 3.285 20 30 DGEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC001605206167 1193127734 /nfs/dbraw/zinc/12/77/34/1193127734.db2.gz SADYVYMAEGTKJN-YHYXMXQVSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC001605206167 1193127736 /nfs/dbraw/zinc/12/77/36/1193127736.db2.gz SADYVYMAEGTKJN-YHYXMXQVSA-N -1 3 320.352 3.080 20 30 DGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001446644181 1182173503 /nfs/dbraw/zinc/17/35/03/1182173503.db2.gz MWNCQNJTJLECBM-NSHDSACASA-N -1 3 314.316 3.003 20 30 DGEDHM O=C(Cc1ccc2n[nH]cc2c1)N([O-])Cc1ccccc1Cl ZINC001457996268 1182489272 /nfs/dbraw/zinc/48/92/72/1182489272.db2.gz ZFUXUTTUQCVHKV-UHFFFAOYSA-N -1 3 315.760 3.177 20 30 DGEDHM CCn1ccc(CC(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC001458019654 1182490299 /nfs/dbraw/zinc/49/02/99/1182490299.db2.gz XPWMUHOECUYTOM-UHFFFAOYSA-N -1 3 309.369 3.017 20 30 DGEDHM N#CC1(CCSc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001606342874 1193199293 /nfs/dbraw/zinc/19/92/93/1193199293.db2.gz FOXULNWCZRGRNE-UHFFFAOYSA-N -1 3 314.418 3.218 20 30 DGEDHM N#CC1(CCSc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001606342874 1193199298 /nfs/dbraw/zinc/19/92/98/1193199298.db2.gz FOXULNWCZRGRNE-UHFFFAOYSA-N -1 3 314.418 3.218 20 30 DGEDHM N#Cc1cnc(Oc2ccccc2-c2nnn[n-]2)c2sccc21 ZINC001606389618 1193199831 /nfs/dbraw/zinc/19/98/31/1193199831.db2.gz BUWJESRLERLHNW-UHFFFAOYSA-N -1 3 320.337 3.140 20 30 DGEDHM N#Cc1cnc(Oc2ccccc2-c2nn[n-]n2)c2sccc21 ZINC001606389618 1193199833 /nfs/dbraw/zinc/19/98/33/1193199833.db2.gz BUWJESRLERLHNW-UHFFFAOYSA-N -1 3 320.337 3.140 20 30 DGEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001606481898 1193200154 /nfs/dbraw/zinc/20/01/54/1193200154.db2.gz LBLUYCUCZBLKGV-RMKNXTFCSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001606481898 1193200156 /nfs/dbraw/zinc/20/01/56/1193200156.db2.gz LBLUYCUCZBLKGV-RMKNXTFCSA-N -1 3 310.744 3.416 20 30 DGEDHM COc1cc(CNC(=O)c2ccc(C(C)C)cc2[O-])ccc1C#N ZINC001467814045 1183291783 /nfs/dbraw/zinc/29/17/83/1183291783.db2.gz DWUBHSUDOZRWKM-UHFFFAOYSA-N -1 3 324.380 3.326 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001469326744 1183400301 /nfs/dbraw/zinc/40/03/01/1183400301.db2.gz MWNIAOMXBPJXCL-UHFFFAOYSA-N -1 3 305.378 3.072 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001469326744 1183400303 /nfs/dbraw/zinc/40/03/03/1183400303.db2.gz MWNIAOMXBPJXCL-UHFFFAOYSA-N -1 3 305.378 3.072 20 30 DGEDHM C#Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nc1 ZINC001472616391 1183656700 /nfs/dbraw/zinc/65/67/00/1183656700.db2.gz RQEKXZKHJSPGFT-UHFFFAOYSA-N -1 3 321.163 3.401 20 30 DGEDHM O=C(c1ccccc1[N+](=O)[O-])N([O-])CCCCc1ccccc1 ZINC001472619599 1183657077 /nfs/dbraw/zinc/65/70/77/1183657077.db2.gz ALTWCKPVPAKQAV-UHFFFAOYSA-N -1 3 314.341 3.449 20 30 DGEDHM O=C(c1ccnc(-n2cccc2)c1)N([O-])Cc1ccc(F)cc1 ZINC001472623401 1183658453 /nfs/dbraw/zinc/65/84/53/1183658453.db2.gz WBNQWNNRLNETBP-UHFFFAOYSA-N -1 3 311.316 3.043 20 30 DGEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC001608207449 1193283189 /nfs/dbraw/zinc/28/31/89/1193283189.db2.gz IVVMOUGTSNNMSW-HNNXBMFYSA-N -1 3 300.745 3.127 20 30 DGEDHM N#Cc1ccc(C2(NCc3ccccc3CC(=O)[O-])CCC2)cc1 ZINC001608203852 1193283205 /nfs/dbraw/zinc/28/32/05/1193283205.db2.gz KDWFYKYEGAZMRR-UHFFFAOYSA-N -1 3 320.392 3.354 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1ccccc1-c1nnn[n-]1 ZINC001609061300 1193322497 /nfs/dbraw/zinc/32/24/97/1193322497.db2.gz UOVITARFLZUJGY-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1ccccc1-c1nn[n-]n1 ZINC001609061300 1193322499 /nfs/dbraw/zinc/32/24/99/1193322499.db2.gz UOVITARFLZUJGY-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609152576 1193326637 /nfs/dbraw/zinc/32/66/37/1193326637.db2.gz GPMJSMNXUBJJKF-OKHBPPCESA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609152576 1193326640 /nfs/dbraw/zinc/32/66/40/1193326640.db2.gz GPMJSMNXUBJJKF-OKHBPPCESA-N -1 3 302.337 3.250 20 30 DGEDHM C=C[C@H](N[C@H](Cc1ccc(Cl)cc1)c1ccccn1)C(=O)[O-] ZINC001609267483 1193332819 /nfs/dbraw/zinc/33/28/19/1193332819.db2.gz WLSQNOWOUZGPEW-GOEBONIOSA-N -1 3 316.788 3.248 20 30 DGEDHM CCc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001609251783 1193333261 /nfs/dbraw/zinc/33/32/61/1193333261.db2.gz NHEMLQZHEDARES-UHFFFAOYSA-N -1 3 321.384 3.288 20 30 DGEDHM CCc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001609251783 1193333263 /nfs/dbraw/zinc/33/32/63/1193333263.db2.gz NHEMLQZHEDARES-UHFFFAOYSA-N -1 3 321.384 3.288 20 30 DGEDHM Cc1cc(C=NNc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC001609399690 1193336486 /nfs/dbraw/zinc/33/64/86/1193336486.db2.gz LBLCGGUJAIMHMW-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM Cc1cc(C=NNc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC001609399690 1193336487 /nfs/dbraw/zinc/33/64/87/1193336487.db2.gz LBLCGGUJAIMHMW-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM N#Cc1cccc([C@H](N[C@@H]2CCCc3ccc(F)cc32)C(=O)[O-])c1 ZINC001610631835 1193401880 /nfs/dbraw/zinc/40/18/80/1193401880.db2.gz KHGHPTGVSORQGR-MSOLQXFVSA-N -1 3 324.355 3.490 20 30 DGEDHM Cc1ccc(-c2nc(NC(=O)[C@@H](CC#N)c3ccccc3)n[n-]2)o1 ZINC001611005468 1193419304 /nfs/dbraw/zinc/41/93/04/1193419304.db2.gz PLMDODHUUOIXNN-ZDUSSCGKSA-N -1 3 321.340 3.009 20 30 DGEDHM O=C(c1cc(-c2ccco2)n[nH]1)N([O-])Cc1ccccc1Cl ZINC001611650802 1193439394 /nfs/dbraw/zinc/43/93/94/1193439394.db2.gz KWZWQYYUZNQQDY-UHFFFAOYSA-N -1 3 317.732 3.355 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cn(-c2ccccc2CC)nn1 ZINC001611655619 1193439470 /nfs/dbraw/zinc/43/94/70/1193439470.db2.gz KZYIWUWOWXLNMH-UHFFFAOYSA-N -1 3 316.405 3.241 20 30 DGEDHM C#CCC1(N[C@@H](C(=O)[O-])c2ccccc2Br)CCC1 ZINC001602699641 1186788791 /nfs/dbraw/zinc/78/87/91/1186788791.db2.gz FXIYNKRRNACYPJ-CYBMUJFWSA-N -1 3 322.202 3.110 20 30 DGEDHM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1cccc(F)n1 ZINC001524703121 1187261567 /nfs/dbraw/zinc/26/15/67/1187261567.db2.gz AGTXJTFJDFSDBB-XEHSLEBBSA-N -1 3 318.311 3.054 20 30 DGEDHM Cc1csc([N-]C(=O)c2c(Cl)nn(C)c2Cl)c1C#N ZINC001544276539 1188386052 /nfs/dbraw/zinc/38/60/52/1188386052.db2.gz CUAIZWFWXYQEAA-UHFFFAOYSA-N -1 3 315.185 3.221 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)CCCC1 ZINC001557147727 1189044398 /nfs/dbraw/zinc/04/43/98/1189044398.db2.gz DXKXCFWQKJCENM-UHFFFAOYSA-N -1 3 319.405 3.440 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)CCCC1 ZINC001557147727 1189044404 /nfs/dbraw/zinc/04/44/04/1189044404.db2.gz DXKXCFWQKJCENM-UHFFFAOYSA-N -1 3 319.405 3.440 20 30 DGEDHM C=CCCC(C)(C)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001557638213 1189076255 /nfs/dbraw/zinc/07/62/55/1189076255.db2.gz USTIJBAJVKGYGB-UHFFFAOYSA-N -1 3 320.339 3.281 20 30 DGEDHM O=C(c1ccc2c(c1)CCCC2=O)N([O-])Cc1ccc(F)cc1 ZINC001559037234 1189164458 /nfs/dbraw/zinc/16/44/58/1189164458.db2.gz OPDNAPLVALONHW-UHFFFAOYSA-N -1 3 313.328 3.376 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C ZINC001559035409 1189164614 /nfs/dbraw/zinc/16/46/14/1189164614.db2.gz PLNGUWZCXSEDBQ-INIZCTEOSA-N -1 3 320.433 3.157 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)n1ccc2ccccc2c1=O ZINC001559034889 1189164832 /nfs/dbraw/zinc/16/48/32/1189164832.db2.gz UANJUFCLYJRMSQ-AWEZNQCLSA-N -1 3 316.401 3.361 20 30 DGEDHM C#CC(C)(C)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001565755775 1189668997 /nfs/dbraw/zinc/66/89/97/1189668997.db2.gz BERAJZAYBLORJF-UHFFFAOYSA-N -1 3 307.393 3.319 20 30 DGEDHM N#CCc1ccccc1CC(=O)Nc1c([O-])cccc1Cl ZINC001569682835 1190740542 /nfs/dbraw/zinc/74/05/42/1190740542.db2.gz VZYNPPDEVGKMBG-UHFFFAOYSA-N -1 3 300.745 3.293 20 30 DGEDHM C=CCCCCCCNC(=O)c1cc(NC(=O)C=C)ccc1[O-] ZINC001627111226 1194112422 /nfs/dbraw/zinc/11/24/22/1194112422.db2.gz UWBZQTOOQUXJBW-UHFFFAOYSA-N -1 3 316.401 3.383 20 30 DGEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC ZINC001628362294 1194174040 /nfs/dbraw/zinc/17/40/40/1194174040.db2.gz RPONQXCSPXKSNG-UHFFFAOYSA-N -1 3 310.127 3.309 20 30 DGEDHM CC(=O)c1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1[O-] ZINC001628956651 1194205543 /nfs/dbraw/zinc/20/55/43/1194205543.db2.gz DOJZEJYUJSXLLY-UHFFFAOYSA-N -1 3 314.728 3.372 20 30 DGEDHM O=C(CCc1ccon1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001639041396 1194747955 /nfs/dbraw/zinc/74/79/55/1194747955.db2.gz ZFLDSDXYQOIURP-UHFFFAOYSA-N -1 3 315.156 3.332 20 30 DGEDHM O=C(C[C@@H]1Cc2ccccc2O1)N([O-])Cc1ccccc1Cl ZINC001639059014 1194748821 /nfs/dbraw/zinc/74/88/21/1194748821.db2.gz ZQKZGWQGAWDQRQ-AWEZNQCLSA-N -1 3 317.772 3.452 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001639067184 1194749388 /nfs/dbraw/zinc/74/93/88/1194749388.db2.gz NXGCZBITAWKKKO-HUUCEWRRSA-N -1 3 306.362 3.496 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCC(=O)c1ccc(CC(C)C)cc1 ZINC001640634638 1194823052 /nfs/dbraw/zinc/82/30/52/1194823052.db2.gz ALNBHDKCWYIMDZ-AWEZNQCLSA-N -1 3 303.402 3.470 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1cccc(OCC(C)C)c1 ZINC001641003428 1194835345 /nfs/dbraw/zinc/83/53/45/1194835345.db2.gz OLTZWGRYFATNAQ-UHFFFAOYSA-N -1 3 319.430 3.497 20 30 DGEDHM CC(=O)c1cccc(NC(=O)Cc2c(C)cc(C#N)cc2C)c1[O-] ZINC001641848798 1194874364 /nfs/dbraw/zinc/87/43/64/1194874364.db2.gz SUKHYLZOLNJYAM-UHFFFAOYSA-N -1 3 322.364 3.265 20 30 DGEDHM O=C(Cc1ccc2n[nH]cc2c1)N([O-])CCCCc1ccccc1 ZINC001641864953 1194875784 /nfs/dbraw/zinc/87/57/84/1194875784.db2.gz LTGQEQYYTNSGTR-UHFFFAOYSA-N -1 3 323.396 3.346 20 30 DGEDHM C#CC[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC001642509243 1194915628 /nfs/dbraw/zinc/91/56/28/1194915628.db2.gz BERSSNLUNYXKMW-MRXNPFEDSA-N -1 3 319.364 3.296 20 30 DGEDHM O=C(c1ccc(NC2CC2)nc1)N([O-])Cc1ccccc1Cl ZINC001651223804 1195427998 /nfs/dbraw/zinc/42/79/98/1195427998.db2.gz VTYDJAMPZGXCGW-UHFFFAOYSA-N -1 3 317.776 3.341 20 30 DGEDHM Cc1cccc(C)c1NCC(=O)N([O-])Cc1ccc(F)cc1 ZINC001651237940 1195431234 /nfs/dbraw/zinc/43/12/34/1195431234.db2.gz GTILOEWZJANRFM-UHFFFAOYSA-N -1 3 302.349 3.272 20 30 DGEDHM CCCCCCN([O-])C(=O)c1sc(COCC)nc1C ZINC001654819536 1195843926 /nfs/dbraw/zinc/84/39/26/1195843926.db2.gz HFGFNWDJRDVEKE-UHFFFAOYSA-N -1 3 300.424 3.400 20 30 DGEDHM N#Cc1ccccc1OCC(=O)N([O-])CCCCc1ccccc1 ZINC001654817798 1195844024 /nfs/dbraw/zinc/84/40/24/1195844024.db2.gz TUTMJEMEGYGSJP-UHFFFAOYSA-N -1 3 324.380 3.178 20 30 DGEDHM N#Cc1cccc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001656180291 1196014606 /nfs/dbraw/zinc/01/46/06/1196014606.db2.gz UENYVPVSGWNLPV-UHFFFAOYSA-N -1 3 303.321 3.300 20 30 DGEDHM C=CC[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573325982 947364824 /nfs/dbraw/zinc/36/48/24/947364824.db2.gz JHFNUAVKXUTFQA-OAHLLOKOSA-N -1 3 320.400 3.169 20 30 DGEDHM C=CC[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573325982 947364836 /nfs/dbraw/zinc/36/48/36/947364836.db2.gz JHFNUAVKXUTFQA-OAHLLOKOSA-N -1 3 320.400 3.169 20 30 DGEDHM C=CCCC(C)(C)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001573328079 947402298 /nfs/dbraw/zinc/40/22/98/947402298.db2.gz RAXKBCKCWBMCDO-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CCCC(C)(C)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001573328079 947402302 /nfs/dbraw/zinc/40/23/02/947402302.db2.gz RAXKBCKCWBMCDO-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574307561 960749859 /nfs/dbraw/zinc/74/98/59/960749859.db2.gz ASDGHZRYGOCFFP-QGZVFWFLSA-N -1 3 312.344 3.230 20 30 DGEDHM CC[C@@](NCc1ccc(C#N)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001595298795 980421076 /nfs/dbraw/zinc/42/10/76/980421076.db2.gz DCHQPWJVNOJIOI-SFHVURJKSA-N -1 3 312.344 3.177 20 30 DGEDHM C=C(C)[C@H](NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc(F)c(F)c1 ZINC001588535883 983591312 /nfs/dbraw/zinc/59/13/12/983591312.db2.gz RUKGEMLRHZKBLS-XDTLVQLUSA-N -1 3 317.282 3.138 20 30 DGEDHM C=C[C@@H](NCc1ccc(Oc2cc(C)ccc2C)nc1)C(=O)[O-] ZINC001588700983 983912659 /nfs/dbraw/zinc/91/26/59/983912659.db2.gz LXETURBOUGNAML-OAHLLOKOSA-N -1 3 312.369 3.220 20 30 DGEDHM CC(C)(CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1)C(=O)[O-] ZINC001590670718 990374201 /nfs/dbraw/zinc/37/42/01/990374201.db2.gz IRFCQTMCSXPTEU-HZPDHXFCSA-N -1 3 300.402 3.259 20 30 DGEDHM CC(C)(CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC001590670717 990374313 /nfs/dbraw/zinc/37/43/13/990374313.db2.gz IRFCQTMCSXPTEU-HOTGVXAUSA-N -1 3 300.402 3.259 20 30 DGEDHM COc1cccc2c(CN3CCC(C#N)(C(=O)[O-])CC3)cccc12 ZINC001599689541 991045068 /nfs/dbraw/zinc/04/50/68/991045068.db2.gz OUJRYSVKAGYRMH-UHFFFAOYSA-N -1 3 324.380 3.039 20 30 DGEDHM C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593297128 994701328 /nfs/dbraw/zinc/70/13/28/994701328.db2.gz RKUBVUHHUATAQX-CQSZACIVSA-N -1 3 324.380 3.067 20 30 DGEDHM C[C@@H](c1ccc(OC(F)F)cc1)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001593698695 996166665 /nfs/dbraw/zinc/16/66/65/996166665.db2.gz HTYSZLLZKLFYLJ-NSHDSACASA-N -1 3 324.327 3.039 20 30 DGEDHM COc1ccc(-c2nnsc2[N-]c2ccc(C#N)nc2)cc1 ZINC001209545518 1081772679 /nfs/dbraw/zinc/77/26/79/1081772679.db2.gz GVGZIIWRDIEKET-UHFFFAOYSA-N -1 3 309.354 3.224 20 30 DGEDHM N#Cc1cc(NC(=O)Cc2ccccc2OC(F)F)ccc1[O-] ZINC001181077343 1083409805 /nfs/dbraw/zinc/40/98/05/1083409805.db2.gz OUIFBBJUHZHGFR-UHFFFAOYSA-N -1 3 318.279 3.046 20 30 DGEDHM O=C(c1ccc2[nH]cnc2c1)N([O-])Cc1ccccc1Cl ZINC001184272561 1084132262 /nfs/dbraw/zinc/13/22/62/1084132262.db2.gz JLDMSNDMQYWFOM-UHFFFAOYSA-N -1 3 301.733 3.248 20 30 DGEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccc(F)c(F)c1F ZINC001185330932 1084422129 /nfs/dbraw/zinc/42/21/29/1084422129.db2.gz HDEMTCIUDXMEBJ-UHFFFAOYSA-N -1 3 307.231 3.325 20 30 DGEDHM CCCc1cc(C#N)c(NCc2ncccc2[O-])nc1Cl ZINC001158773874 1088023971 /nfs/dbraw/zinc/02/39/71/1088023971.db2.gz CRBKOLTWDXOOFF-UHFFFAOYSA-N -1 3 302.765 3.272 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc2ccccc2c1F ZINC001154295485 1088556392 /nfs/dbraw/zinc/55/63/92/1088556392.db2.gz PEJYALCGWYPDDP-UHFFFAOYSA-N -1 3 323.327 3.418 20 30 DGEDHM Cc1ccc2ncc([O-])c(C(=O)N[C@@H](C#N)c3ccccc3)c2c1 ZINC001154528133 1088643171 /nfs/dbraw/zinc/64/31/71/1088643171.db2.gz NGTIATPJBXESIN-INIZCTEOSA-N -1 3 317.348 3.244 20 30 DGEDHM O=C([C@@H]1[C@H]2CCCO[C@H]21)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161784620 1089399460 /nfs/dbraw/zinc/39/94/60/1089399460.db2.gz NVDMXVYEFMRTGO-JHJVBQTASA-N -1 3 316.184 3.136 20 30 DGEDHM O=C(c1n[nH]cc1C(F)(F)F)N([O-])Cc1ccccc1Cl ZINC001161807888 1089415182 /nfs/dbraw/zinc/41/51/82/1089415182.db2.gz QIJIPBWZZDLJOG-UHFFFAOYSA-N -1 3 319.670 3.114 20 30 DGEDHM CCn1cc(Cl)c(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001161820044 1089421774 /nfs/dbraw/zinc/42/17/74/1089421774.db2.gz ZQJVFHRRPDAODJ-UHFFFAOYSA-N -1 3 321.808 3.411 20 30 DGEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(C)cc3[O-])cc21 ZINC001157639385 1090053304 /nfs/dbraw/zinc/05/33/04/1090053304.db2.gz ALNMHLGGQYPNBL-UHFFFAOYSA-N -1 3 307.353 3.489 20 30 DGEDHM C=C(C)CONC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001164451101 1090425351 /nfs/dbraw/zinc/42/53/51/1090425351.db2.gz UGAYJYPMRCNIJN-UHFFFAOYSA-N -1 3 313.353 3.209 20 30 DGEDHM O=C(c1ccc2c(c1)OCCO2)N([O-])Cc1ccccc1Cl ZINC001649041873 1090562814 /nfs/dbraw/zinc/56/28/14/1090562814.db2.gz ZNZWJLFFAKFBTJ-UHFFFAOYSA-N -1 3 319.744 3.143 20 30 DGEDHM CC(C)(Nc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001649075829 1090589717 /nfs/dbraw/zinc/58/97/17/1090589717.db2.gz GYZFHWUXJUYPCA-UHFFFAOYSA-N -1 3 302.349 3.434 20 30 DGEDHM N#CCc1ccsc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001128607904 1091071249 /nfs/dbraw/zinc/07/12/49/1091071249.db2.gz XTZJBCYGKYOSMH-UHFFFAOYSA-N -1 3 318.745 3.256 20 30 DGEDHM COC(=O)c1cc(C#N)cc(C)c1Nc1cccc([O-])c1F ZINC001212554475 1091156606 /nfs/dbraw/zinc/15/66/06/1091156606.db2.gz VTJGFBFMHIUIRJ-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM CC(=O)c1cccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1[O-] ZINC001298748762 1092101682 /nfs/dbraw/zinc/10/16/82/1092101682.db2.gz HJAZIWUIOUBCET-LBPRGKRZSA-N -1 3 322.364 3.284 20 30 DGEDHM C#Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC001141042869 1092118800 /nfs/dbraw/zinc/11/88/00/1092118800.db2.gz HSSDZSYHGFZNJY-UHFFFAOYSA-N -1 3 311.356 3.152 20 30 DGEDHM COC(=O)c1cc(C#N)cc(C)c1Nc1cc([O-])cc(F)c1 ZINC001208620324 1092431186 /nfs/dbraw/zinc/43/11/86/1092431186.db2.gz BFWNWUOOYGNUDS-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM [O-]/N=C/c1cccc(NCc2cc(F)cc3c2OCOC3)c1 ZINC001169096688 1092526184 /nfs/dbraw/zinc/52/61/84/1092526184.db2.gz FCGPTAORHOFHTO-FBCYGCLPSA-N -1 3 302.305 3.112 20 30 DGEDHM Cc1nc2ccccc2c(C(=O)N[C@H]2CC[C@H](C#N)CC2)c1[O-] ZINC001149198476 1092668418 /nfs/dbraw/zinc/66/84/18/1092668418.db2.gz UQXYKFLJOCHFCD-JOCQHMNTSA-N -1 3 309.369 3.061 20 30 DGEDHM Cc1ccc(C(=N[O-])Nc2c(F)c(F)c(F)c(F)c2F)nc1 ZINC001169408526 1092668588 /nfs/dbraw/zinc/66/85/88/1092668588.db2.gz QZJNLZHAFAJXEV-UHFFFAOYSA-N -1 3 317.217 3.333 20 30 DGEDHM N#CCCc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001209253953 1092715219 /nfs/dbraw/zinc/71/52/19/1092715219.db2.gz ISPMCWSDVXTAHW-UHFFFAOYSA-N -1 3 313.332 3.309 20 30 DGEDHM CCOC(=O)c1c(C)oc(Nc2ccc(F)cc2[O-])c1C#N ZINC001210015582 1093017915 /nfs/dbraw/zinc/01/79/15/1093017915.db2.gz GSBFVQPWFVRZGE-UHFFFAOYSA-N -1 3 304.277 3.225 20 30 DGEDHM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cccc(F)c1[O-] ZINC001210194368 1093072705 /nfs/dbraw/zinc/07/27/05/1093072705.db2.gz ABXPLIPCYVLKCW-UHFFFAOYSA-N -1 3 312.279 3.471 20 30 DGEDHM CCOC(=O)c1ccc(Nc2ccc([O-])c(C#N)c2)c(F)c1 ZINC001210529803 1093197966 /nfs/dbraw/zinc/19/79/66/1093197966.db2.gz SSBGLISBZZASTI-UHFFFAOYSA-N -1 3 300.289 3.323 20 30 DGEDHM C=CCn1cnc2c1ncnc2Nc1cccc([O-])c1Cl ZINC001210854013 1093303875 /nfs/dbraw/zinc/30/38/75/1093303875.db2.gz VBPWBVJKUACOLX-UHFFFAOYSA-N -1 3 301.737 3.115 20 30 DGEDHM COC(=O)c1scc(C#N)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213373285 1093574898 /nfs/dbraw/zinc/57/48/98/1093574898.db2.gz BNJOPPSPMIVJSY-UHFFFAOYSA-N -1 3 310.281 3.134 20 30 DGEDHM CNC(=O)c1ccc(Nc2cc(C#N)ccc2[O-])c(Cl)c1 ZINC001215882351 1094080483 /nfs/dbraw/zinc/08/04/83/1094080483.db2.gz IFMMHKWNGFJIIK-UHFFFAOYSA-N -1 3 301.733 3.020 20 30 DGEDHM [O-]c1ccccc1N=CC=Nc1ccccc1O[C@H]1C[C@H](O)C1 ZINC001218361346 1094734943 /nfs/dbraw/zinc/73/49/43/1094734943.db2.gz VVNHYGNDNLKNQQ-HDJSIYSDSA-N -1 3 310.353 3.399 20 30 DGEDHM Cc1nccnc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001339279731 1095570623 /nfs/dbraw/zinc/57/06/23/1095570623.db2.gz CHUBJPIJNWNYBR-UHFFFAOYSA-N -1 3 312.156 3.123 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2C[C@@H](OCc3ccccc3)C2)[n-]1 ZINC001225468939 1096439684 /nfs/dbraw/zinc/43/96/84/1096439684.db2.gz GASGFFOQPZLURT-GASCZTMLSA-N -1 3 310.353 3.094 20 30 DGEDHM C[C@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1C#N ZINC001225575945 1096472032 /nfs/dbraw/zinc/47/20/32/1096472032.db2.gz ACVODAJASDLRCH-QMMMGPOBSA-N -1 3 309.247 3.213 20 30 DGEDHM Cc1c(=O)[n-]cnc1O[C@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001226071803 1096604214 /nfs/dbraw/zinc/60/42/14/1096604214.db2.gz VHQNMCHGQWUCBN-OAHLLOKOSA-N -1 3 312.445 3.492 20 30 DGEDHM CCCCOC[C@@H](C)OC[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226116808 1096616881 /nfs/dbraw/zinc/61/68/81/1096616881.db2.gz URTUGAIGNUQICK-PKMXSDERSA-N -1 3 309.406 3.484 20 30 DGEDHM N#C[C@H](Oc1[n-]c(=S)nc2c1CCC2)c1cccc(F)c1 ZINC001226299535 1096656314 /nfs/dbraw/zinc/65/63/14/1096656314.db2.gz CDMBRIMSKRBJFE-ZDUSSCGKSA-N -1 3 301.346 3.037 20 30 DGEDHM N#C[C@H](Oc1c([O-])ccc2ccc(=O)oc21)c1cccc(F)c1 ZINC001226600600 1096731804 /nfs/dbraw/zinc/73/18/04/1096731804.db2.gz YOFJXEADJDMTLC-AWEZNQCLSA-N -1 3 311.268 3.281 20 30 DGEDHM O=c1ccc(O[C@@H](C#Cc2ccccc2)c2ccccc2)n[n-]1 ZINC001227094044 1096867015 /nfs/dbraw/zinc/86/70/15/1096867015.db2.gz ZAVJXTFLSFORMU-KRWDZBQOSA-N -1 3 302.333 3.354 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227345293 1096918854 /nfs/dbraw/zinc/91/88/54/1096918854.db2.gz MRZKJQUIEPWZBD-CYBMUJFWSA-N -1 3 318.373 3.042 20 30 DGEDHM Cc1ccc(N2CCC(Oc3cc(C#N)ccc3[O-])CC2)nc1 ZINC001227350869 1096919399 /nfs/dbraw/zinc/91/93/99/1096919399.db2.gz QGAWNLFUXQBYPJ-UHFFFAOYSA-N -1 3 309.369 3.015 20 30 DGEDHM C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1nc(C(=O)OC)ccc1[O-] ZINC001227827352 1096996373 /nfs/dbraw/zinc/99/63/73/1096996373.db2.gz ZYLSAMHOKVTDBU-HUBLWGQQSA-N -1 3 305.374 3.334 20 30 DGEDHM C=C(C)C(=O)OC[C@H](C)Oc1c(C(C)=O)ccc([O-])c1CCC ZINC001228130708 1097058509 /nfs/dbraw/zinc/05/85/09/1097058509.db2.gz CIPWDQYSRKVGFK-LBPRGKRZSA-N -1 3 320.385 3.434 20 30 DGEDHM C=C1O[C@@H](C)C(=O)C1Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228154120 1097063164 /nfs/dbraw/zinc/06/31/64/1097063164.db2.gz JJIBERUWSZACSJ-NSHDSACASA-N -1 3 324.332 3.221 20 30 DGEDHM Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C#N)c1ccccc1 ZINC001228630959 1097155950 /nfs/dbraw/zinc/15/59/50/1097155950.db2.gz WNRXYNQZQUJQOY-HNNXBMFYSA-N -1 3 307.305 3.451 20 30 DGEDHM C#C[C@H](Oc1[n-]c(=O)nc2ccc(Cl)cc21)c1ccncc1 ZINC001228913448 1097216831 /nfs/dbraw/zinc/21/68/31/1097216831.db2.gz QHLRXQRLPFYPAG-AWEZNQCLSA-N -1 3 311.728 3.137 20 30 DGEDHM N#CC1CCC(Oc2[n-]c(=O)nc3cccc(Cl)c32)CC1 ZINC001230885720 1097613890 /nfs/dbraw/zinc/61/38/90/1097613890.db2.gz MRJMBRJMXGDIHO-UHFFFAOYSA-N -1 3 303.749 3.450 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](Oc2cccc(-c3nnn[n-]3)c2)C(C)(C)O1 ZINC001231118614 1097672769 /nfs/dbraw/zinc/67/27/69/1097672769.db2.gz SGCOWQSOMSIKNY-YOEHRIQHSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](Oc2cccc(-c3nn[n-]n3)c2)C(C)(C)O1 ZINC001231118614 1097672771 /nfs/dbraw/zinc/67/27/71/1097672771.db2.gz SGCOWQSOMSIKNY-YOEHRIQHSA-N -1 3 314.389 3.148 20 30 DGEDHM CC(C)(C)OC(=O)N1CC=C(Nc2cc(C#N)ccc2[O-])CC1 ZINC001174440714 1097715927 /nfs/dbraw/zinc/71/59/27/1097715927.db2.gz PIYRFUKSXOSXEJ-UHFFFAOYSA-N -1 3 315.373 3.200 20 30 DGEDHM C[C@H](c1ccccc1)N1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232679672 1098113796 /nfs/dbraw/zinc/11/37/96/1098113796.db2.gz QSJFPTVOMSBUAS-MRXNPFEDSA-N -1 3 321.424 3.143 20 30 DGEDHM C[C@H]1CN(Cc2ccc(C#N)cc2[O-])[C@@H](c2ccccc2)CO1 ZINC001233387921 1098312595 /nfs/dbraw/zinc/31/25/95/1098312595.db2.gz DVEPDORPVLUFOV-KBXCAEBGSA-N -1 3 308.381 3.226 20 30 DGEDHM COc1cc(/C=N/[O-])ccc1O[C@H](C)c1cnc2ccccn21 ZINC001233799986 1098433627 /nfs/dbraw/zinc/43/36/27/1098433627.db2.gz MOCNTEHDESFFKC-AINDZBIGSA-N -1 3 311.341 3.291 20 30 DGEDHM COc1cc(/C=N/[O-])ccc1OC[C@@H](C)OCc1ccccc1 ZINC001233803311 1098434082 /nfs/dbraw/zinc/43/40/82/1098434082.db2.gz NSLBCJBSQQSXRB-HIPSJFSSSA-N -1 3 315.369 3.487 20 30 DGEDHM CCOC(=O)[C@@H]1CCC[C@H](Oc2ccc(/C=N/[O-])cc2OC)C1 ZINC001233801659 1098434506 /nfs/dbraw/zinc/43/45/06/1098434506.db2.gz BZLWMPJXKJKLBJ-RFKJHBGOSA-N -1 3 321.373 3.004 20 30 DGEDHM N#Cc1cc([O-])cc(OC2CC(C(=O)OCc3ccccc3)C2)c1 ZINC001234143139 1098503662 /nfs/dbraw/zinc/50/36/62/1098503662.db2.gz ZXKXHCAPWNKQIC-UHFFFAOYSA-N -1 3 323.348 3.165 20 30 DGEDHM COC(=O)[C@@H](Oc1cc([O-])cc(C#N)c1)c1cccc(Cl)c1 ZINC001234145022 1098503960 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N=C(c1ccccc1N)N([O-])C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC001189017129 1099932663 /nfs/dbraw/zinc/93/26/63/1099932663.db2.gz QDGKYTPMMNEFAW-UHFFFAOYSA-N -1 3 320.352 3.121 20 30 DGEDHM Cc1coc([N-]C(=O)c2csc(-c3ccncc3)n2)c1C#N ZINC001190333411 1100247534 /nfs/dbraw/zinc/24/75/34/1100247534.db2.gz DZNNVCREBSNUEN-UHFFFAOYSA-N -1 3 310.338 3.231 20 30 DGEDHM CCOc1ccc(C(=O)[N-]c2occ(C)c2C#N)c(F)c1F ZINC001190702233 1100317793 /nfs/dbraw/zinc/31/77/93/1100317793.db2.gz NFRFQUZBRAYBNA-UHFFFAOYSA-N -1 3 306.268 3.389 20 30 DGEDHM C=CCC1(S(=O)(=O)Nc2ccc(C)c([O-])c2Cl)CC1 ZINC001190813677 1100351356 /nfs/dbraw/zinc/35/13/56/1100351356.db2.gz NCFCKMOWPYQZIX-UHFFFAOYSA-N -1 3 301.795 3.204 20 30 DGEDHM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190998917 1100386275 /nfs/dbraw/zinc/38/62/75/1100386275.db2.gz GREZKXQJWCHBNL-UHFFFAOYSA-N -1 3 324.764 3.187 20 30 DGEDHM N#Cc1cc(NC(=O)c2ccccc2N2CCCC2)ccc1[O-] ZINC001191230776 1100435829 /nfs/dbraw/zinc/43/58/29/1100435829.db2.gz PSMLOUYYFUHSBM-UHFFFAOYSA-N -1 3 307.353 3.116 20 30 DGEDHM C#Cc1ccccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191904136 1100543523 /nfs/dbraw/zinc/54/35/23/1100543523.db2.gz PZMDPYHDCMKTJM-UHFFFAOYSA-N -1 3 323.776 3.402 20 30 DGEDHM N#Cc1cc(C(F)(F)F)ccc1-c1cccc(-c2nnn[n-]2)c1 ZINC001238845900 1100544342 /nfs/dbraw/zinc/54/43/42/1100544342.db2.gz URENKBFSUPRXNB-UHFFFAOYSA-N -1 3 315.258 3.424 20 30 DGEDHM N#Cc1cc(C(F)(F)F)ccc1-c1cccc(-c2nn[n-]n2)c1 ZINC001238845900 1100544346 /nfs/dbraw/zinc/54/43/46/1100544346.db2.gz URENKBFSUPRXNB-UHFFFAOYSA-N -1 3 315.258 3.424 20 30 DGEDHM N#Cc1ccc([N-]C(=O)c2nc(C(F)(F)F)cs2)c(C#N)c1 ZINC001192457421 1100624603 /nfs/dbraw/zinc/62/46/03/1100624603.db2.gz AGLXNBKWDMOSIE-UHFFFAOYSA-N -1 3 322.271 3.158 20 30 DGEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2ccc(F)cc2)cc1 ZINC001193096878 1100709683 /nfs/dbraw/zinc/70/96/83/1100709683.db2.gz CJGBXNGQJRUXPB-LLVKDONJSA-N -1 3 304.346 3.146 20 30 DGEDHM CCCCN(CC#N)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193745108 1100798913 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COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C2(C#N)CC2)cc1 ZINC001243422455 1102713097 /nfs/dbraw/zinc/71/30/97/1102713097.db2.gz SWOLOTIIOQMSDU-UHFFFAOYSA-N -1 3 317.352 3.097 20 30 DGEDHM COc1ccc(-c2cc(OC(F)(F)F)ccc2[O-])nc1CC#N ZINC001244458590 1103454043 /nfs/dbraw/zinc/45/40/43/1103454043.db2.gz UBUDLYCFFDQFGP-UHFFFAOYSA-N -1 3 324.258 3.427 20 30 DGEDHM CCS(=O)(=O)Nc1ccc(-c2ccc(/C=N/[O-])c(F)c2)cc1 ZINC001245292850 1103966041 /nfs/dbraw/zinc/96/60/41/1103966041.db2.gz FJHZMQBSDJRIHP-LICLKQGHSA-N -1 3 322.361 3.062 20 30 DGEDHM CCS(=O)(=O)Nc1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001245294478 1103967424 /nfs/dbraw/zinc/96/74/24/1103967424.db2.gz ZZLLGWWHLWSIFM-LICLKQGHSA-N -1 3 322.361 3.062 20 30 DGEDHM C=CCO[C@@H]1CCN(c2c(C(=O)[O-])cnc3ccc(C)cc32)C1 ZINC001328606683 1103997380 /nfs/dbraw/zinc/99/73/80/1103997380.db2.gz OBKZDNXPKGWJIK-CYBMUJFWSA-N -1 3 312.369 3.023 20 30 DGEDHM C=C(C)C[C@@H](NCc1ccsc1Br)C(=O)[O-] ZINC001329310626 1104218253 /nfs/dbraw/zinc/21/82/53/1104218253.db2.gz NFELUSSRMBAISC-SECBINFHSA-N -1 3 304.209 3.020 20 30 DGEDHM C=CCCNC(=S)Nc1cc(Br)ccc1[O-] ZINC001247644528 1104949380 /nfs/dbraw/zinc/94/93/80/1104949380.db2.gz VFRRFAFVUGGUMP-UHFFFAOYSA-N -1 3 301.209 3.017 20 30 DGEDHM COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)cc1 ZINC001251923691 1105711172 /nfs/dbraw/zinc/71/11/72/1105711172.db2.gz BAOFQMCEBBGJSI-LBPRGKRZSA-N -1 3 316.382 3.123 20 30 DGEDHM CCCCCCCC[C@@H](O)CNc1cccc(-c2nnn[n-]2)c1 ZINC001252131110 1105746375 /nfs/dbraw/zinc/74/63/75/1105746375.db2.gz GKMASBVKJYDIBX-MRXNPFEDSA-N -1 3 317.437 3.390 20 30 DGEDHM CCCCCCCC[C@@H](O)CNc1cccc(-c2nn[n-]n2)c1 ZINC001252131110 1105746378 /nfs/dbraw/zinc/74/63/78/1105746378.db2.gz GKMASBVKJYDIBX-MRXNPFEDSA-N -1 3 317.437 3.390 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)cc1 ZINC001252205778 1105754671 /nfs/dbraw/zinc/75/46/71/1105754671.db2.gz RVMRLHPAIUXBJF-UHFFFAOYSA-N -1 3 300.383 3.284 20 30 DGEDHM C=CCOC[C@H](O)CNc1cc(Cl)c(CC)c(Cl)c1[O-] ZINC001252478109 1105783105 /nfs/dbraw/zinc/78/31/05/1105783105.db2.gz IREVLPGCMLFRCM-SECBINFHSA-N -1 3 320.216 3.237 20 30 DGEDHM CCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)cc1 ZINC001255075481 1106174271 /nfs/dbraw/zinc/17/42/71/1106174271.db2.gz HPAMKFSOIYQBKD-UHFFFAOYSA-N -1 3 304.346 3.061 20 30 DGEDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)cc1 ZINC001255089968 1106177268 /nfs/dbraw/zinc/17/72/68/1106177268.db2.gz MNVWBIGQOHQUFI-UHFFFAOYSA-N -1 3 318.373 3.255 20 30 DGEDHM O=S(=O)([N-]CCCCCCS)c1ccc(Cl)s1 ZINC001256563271 1106433654 /nfs/dbraw/zinc/43/36/54/1106433654.db2.gz YBQQUMGVKZBHED-UHFFFAOYSA-N -1 3 313.897 3.170 20 30 DGEDHM N#Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1F ZINC001256790879 1106484131 /nfs/dbraw/zinc/48/41/31/1106484131.db2.gz ZDNCQDFDQWPSJN-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM CC(C)(C)C#CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257294103 1106562088 /nfs/dbraw/zinc/56/20/88/1106562088.db2.gz YJAXYMMPSMRTJZ-UHFFFAOYSA-N -1 3 320.241 3.321 20 30 DGEDHM COc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1Cl ZINC001258273631 1106706147 /nfs/dbraw/zinc/70/61/47/1106706147.db2.gz LWUWAVIGXOPFJZ-UHFFFAOYSA-N -1 3 322.773 3.021 20 30 DGEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(F)cc1 ZINC001320023080 1106791032 /nfs/dbraw/zinc/79/10/32/1106791032.db2.gz UHEABHPMVFNWFY-FCASDWRQSA-N -1 3 302.349 3.297 20 30 DGEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258905942 1107051985 /nfs/dbraw/zinc/05/19/85/1107051985.db2.gz KIAGYESBHNMYBB-GFCCVEGCSA-N -1 3 321.229 3.354 20 30 DGEDHM COc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC001259125199 1107082484 /nfs/dbraw/zinc/08/24/84/1107082484.db2.gz NRRHIRTZUSEBRI-UHFFFAOYSA-N -1 3 322.773 3.021 20 30 DGEDHM Cc1ccccc1CS(=O)(=O)[N-]c1cc(F)c(C#N)cc1F ZINC001260021878 1107237705 /nfs/dbraw/zinc/23/77/05/1107237705.db2.gz PSTCUBYSEJQQSF-UHFFFAOYSA-N -1 3 322.336 3.087 20 30 DGEDHM Cc1cc(C#N)c(F)cc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260628312 1107285734 /nfs/dbraw/zinc/28/57/34/1107285734.db2.gz PJWMLTUMWSZEGT-UHFFFAOYSA-N -1 3 322.336 3.087 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)ccc1F ZINC001260761180 1107316439 /nfs/dbraw/zinc/31/64/39/1107316439.db2.gz WTTXIYDJGXPXCR-UHFFFAOYSA-N -1 3 322.336 3.140 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)c(C)cc2C)ccc1F ZINC001260760946 1107317849 /nfs/dbraw/zinc/31/78/49/1107317849.db2.gz PEDVYPFSESBRBH-UHFFFAOYSA-N -1 3 318.373 3.423 20 30 DGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C)cc1 ZINC001260999480 1107339534 /nfs/dbraw/zinc/33/95/34/1107339534.db2.gz VAOLOTYVYFXMRO-UHFFFAOYSA-N -1 3 315.394 3.116 20 30 DGEDHM CCOc1cc(C=NN[C@@H]2CCCSC2)cc(Cl)c1[O-] ZINC001262040259 1107587702 /nfs/dbraw/zinc/58/77/02/1107587702.db2.gz KMCQWUBOOGCEDG-LLVKDONJSA-N -1 3 314.838 3.263 20 30 DGEDHM N#Cc1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)co1 ZINC001280337721 1109186957 /nfs/dbraw/zinc/18/69/57/1109186957.db2.gz XWXGAXLLFGEPPY-ARJAWSKDSA-N -1 3 312.310 3.018 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nnn(CC2CCCC2)c1C ZINC001306896872 1111248033 /nfs/dbraw/zinc/24/80/33/1111248033.db2.gz PQUHXEYLKCICCW-UHFFFAOYSA-N -1 3 308.426 3.188 20 30 DGEDHM O=C([C@@H]1C[C@H]1C(F)(F)F)N([O-])CCCCc1ccccc1 ZINC001306895991 1111247849 /nfs/dbraw/zinc/24/78/49/1111247849.db2.gz DZEBFVAEUSZOEY-CHWSQXEVSA-N -1 3 301.308 3.426 20 30 DGEDHM C#CC[C@H](NCc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC001307634064 1111321711 /nfs/dbraw/zinc/32/17/11/1111321711.db2.gz ZFVHWRCSLISTAR-ZDUSSCGKSA-N -1 3 309.394 3.251 20 30 DGEDHM N#Cc1ccc(CNCc2cccc([O-])c2Br)s1 ZINC001308441408 1111428084 /nfs/dbraw/zinc/42/80/84/1111428084.db2.gz UAAFUERJWSYEPB-UHFFFAOYSA-N -1 3 323.215 3.378 20 30 DGEDHM CN(CC(C)(C)C#N)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000353289176 529842820 /nfs/dbraw/zinc/84/28/20/529842820.db2.gz NMWNFHPPHVHSEG-UHFFFAOYSA-N -1 3 300.280 3.033 20 30 DGEDHM C[C@@H](/N=C/c1c([O-])ccc2ccccc21)[C@@H](C)N1CCOCC1 ZINC000105356412 432018568 /nfs/dbraw/zinc/01/85/68/432018568.db2.gz MSGXWXNWOSDTOV-YFGIFFDYSA-N -1 3 312.413 3.074 20 30 DGEDHM CC(=O)N1CCC(C/N=C/c2c([O-])ccc3ccccc32)CC1 ZINC000105356734 432018707 /nfs/dbraw/zinc/01/87/07/432018707.db2.gz JYTNSNKMKHPYGL-DEDYPNTBSA-N -1 3 310.397 3.223 20 30 DGEDHM CCCCn1c(SCc2cccc(F)c2C#N)n[n-]c1=O ZINC000488263469 535137314 /nfs/dbraw/zinc/13/73/14/535137314.db2.gz MYMHQHLRRJADDQ-UHFFFAOYSA-N -1 3 306.366 3.087 20 30 DGEDHM C=CC[C@@H](NCc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000277215308 213372464 /nfs/dbraw/zinc/37/24/64/213372464.db2.gz HNBDBDGESHUMGK-LLVKDONJSA-N -1 3 318.598 3.221 20 30 DGEDHM N#Cc1c([N-]C(=O)c2ccnc(F)c2F)sc2c1CCCC2 ZINC000187656060 283082457 /nfs/dbraw/zinc/08/24/57/283082457.db2.gz LIPBZBMYDOXDFT-UHFFFAOYSA-N -1 3 319.336 3.424 20 30 DGEDHM O=C(Nc1cccc(C/N=C/c2ccccc2[O-])c1)[C@@H]1CCCO1 ZINC000067943140 432047047 /nfs/dbraw/zinc/04/70/47/432047047.db2.gz VPFNFMWRLRMLKS-ACRNLXFHSA-N -1 3 324.380 3.129 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1Cl ZINC000180176931 432079726 /nfs/dbraw/zinc/07/97/26/432079726.db2.gz MQOFMUUNOVWXCH-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM N#Cc1ccccc1Cn1cccc1C[N-]c1nc(C2CC2)no1 ZINC000187907518 200175406 /nfs/dbraw/zinc/17/54/06/200175406.db2.gz YRIWJFYHFJBOPJ-UHFFFAOYSA-N -1 3 319.368 3.281 20 30 DGEDHM N#CCN(Cc1cc(=O)[n-]c(-c2ccccc2)n1)C1CCCC1 ZINC000459351768 243347271 /nfs/dbraw/zinc/34/72/71/243347271.db2.gz ZKOCSOQDPNZFPB-UHFFFAOYSA-N -1 3 308.385 3.117 20 30 DGEDHM Cc1conc1[N-]C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000123387237 284237591 /nfs/dbraw/zinc/23/75/91/284237591.db2.gz RGCQQPKUDIMQLO-UHFFFAOYSA-N -1 3 323.308 3.279 20 30 DGEDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000043318700 183354159 /nfs/dbraw/zinc/35/41/59/183354159.db2.gz BYFXCAISUUDNNL-UHFFFAOYSA-N -1 3 322.773 3.021 20 30 DGEDHM CSc1nc([O-])c(C(=O)Nc2cccc3[nH]ccc32)cc1C#N ZINC000338871213 253361048 /nfs/dbraw/zinc/36/10/48/253361048.db2.gz BKFOJWKCQRBKBH-UHFFFAOYSA-N -1 3 324.365 3.114 20 30 DGEDHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1scc(C)c1C#N ZINC000344889923 254314058 /nfs/dbraw/zinc/31/40/58/254314058.db2.gz IKQNRLZBXBPEEW-UHFFFAOYSA-N -1 3 317.326 3.097 20 30 DGEDHM COC(=O)c1c(C)csc1[N-]C(=O)c1sccc1C#N ZINC000344911994 254315691 /nfs/dbraw/zinc/31/56/91/254315691.db2.gz VEETWRDVPBOIND-UHFFFAOYSA-N -1 3 306.368 3.029 20 30 DGEDHM COc1csc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c1 ZINC000353098902 533167799 /nfs/dbraw/zinc/16/77/99/533167799.db2.gz SLLWTWPEGIJPLX-LLVKDONJSA-N -1 3 311.366 3.432 20 30 DGEDHM COc1ccc(C(=O)N[C@@H](C#N)c2ccccc2Cl)c([O-])c1 ZINC000179547140 533337961 /nfs/dbraw/zinc/33/79/61/533337961.db2.gz WGEIELVXYAHNLW-AWEZNQCLSA-N -1 3 316.744 3.049 20 30 DGEDHM COc1ccc(C)cc1[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000005111093 400086233 /nfs/dbraw/zinc/08/62/33/400086233.db2.gz ZXDGMECDQUOBFH-AHURVMIPSA-N -1 3 314.385 3.085 20 30 DGEDHM N#C[C@H](Cc1ccccc1)Sc1nnc(-c2ccccn2)[n-]1 ZINC000609750761 400188644 /nfs/dbraw/zinc/18/86/44/400188644.db2.gz CSERSLLZEYRPJE-ZDUSSCGKSA-N -1 3 307.382 3.094 20 30 DGEDHM N#C[C@H](Cc1ccccc1)Sc1n[n-]c(-c2ccccn2)n1 ZINC000609750761 400188646 /nfs/dbraw/zinc/18/86/46/400188646.db2.gz CSERSLLZEYRPJE-ZDUSSCGKSA-N -1 3 307.382 3.094 20 30 DGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000595400674 400140541 /nfs/dbraw/zinc/14/05/41/400140541.db2.gz ZBSPKCSPXLYVIC-UHFFFAOYSA-N -1 3 312.822 3.235 20 30 DGEDHM O=C(Cc1cccc(Cl)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000067910164 400216518 /nfs/dbraw/zinc/21/65/18/400216518.db2.gz ZMTSZCJWUGCJOX-UHFFFAOYSA-N -1 3 304.659 3.308 20 30 DGEDHM O=C(Cc1cccc(Cl)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000067910164 400216522 /nfs/dbraw/zinc/21/65/22/400216522.db2.gz ZMTSZCJWUGCJOX-UHFFFAOYSA-N -1 3 304.659 3.308 20 30 DGEDHM CCN(CC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094055598 400266772 /nfs/dbraw/zinc/26/67/72/400266772.db2.gz KOOAZDNPYPDQLT-UHFFFAOYSA-N -1 3 308.381 3.163 20 30 DGEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000602226428 400426817 /nfs/dbraw/zinc/42/68/17/400426817.db2.gz FZEHVKVVPLSSBC-MRVPVSSYSA-N -1 3 301.371 3.293 20 30 DGEDHM CC(C)Cc1nnc([N-]C(=O)c2cc(F)c(C#N)c(F)c2)s1 ZINC000596884605 400518394 /nfs/dbraw/zinc/51/83/94/400518394.db2.gz DKOUYVUDYYYITM-UHFFFAOYSA-N -1 3 322.340 3.139 20 30 DGEDHM COc1ccc(NC(=O)CSc2ccc(C#N)cc2)c([O-])c1 ZINC000135431627 400586109 /nfs/dbraw/zinc/58/61/09/400586109.db2.gz SBRYREBFPDQTPL-UHFFFAOYSA-N -1 3 314.366 3.003 20 30 DGEDHM CCCNc1ccc(C#N)cc1NC(=O)c1cc(C(F)F)[n-]n1 ZINC000602897750 400601539 /nfs/dbraw/zinc/60/15/39/400601539.db2.gz DYUYHARMXUPRQG-UHFFFAOYSA-N -1 3 319.315 3.293 20 30 DGEDHM C=CCCSCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000597966977 400705326 /nfs/dbraw/zinc/70/53/26/400705326.db2.gz IKQTWBWQZPYWIU-UHFFFAOYSA-N -1 3 319.348 3.450 20 30 DGEDHM CCc1cccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1[O-] ZINC000618892983 400711161 /nfs/dbraw/zinc/71/11/61/400711161.db2.gz UKINDJOJEVQHIR-QGZVFWFLSA-N -1 3 306.365 3.244 20 30 DGEDHM Cc1cc(Cl)cc(NC(=O)c2ccc(C#N)c(C)n2)c1[O-] ZINC000172082175 400812499 /nfs/dbraw/zinc/81/24/99/400812499.db2.gz QNGQYTYVGQSKFL-UHFFFAOYSA-N -1 3 301.733 3.181 20 30 DGEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000613929943 400814809 /nfs/dbraw/zinc/81/48/09/400814809.db2.gz QYFDFNIDSKOGHP-LBPRGKRZSA-N -1 3 318.373 3.045 20 30 DGEDHM Cc1ccc2[nH]c(C(=O)Nc3nnc(-c4ccccn4)[n-]3)cc2c1 ZINC000053526495 400788651 /nfs/dbraw/zinc/78/86/51/400788651.db2.gz WIGUDGWVKUMBEH-UHFFFAOYSA-N -1 3 318.340 3.293 20 30 DGEDHM Cc1ccc2[nH]c(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc2c1 ZINC000053526495 400788654 /nfs/dbraw/zinc/78/86/54/400788654.db2.gz WIGUDGWVKUMBEH-UHFFFAOYSA-N -1 3 318.340 3.293 20 30 DGEDHM Cc1ccc2[nH]c(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2c1 ZINC000053526495 400788657 /nfs/dbraw/zinc/78/86/57/400788657.db2.gz WIGUDGWVKUMBEH-UHFFFAOYSA-N -1 3 318.340 3.293 20 30 DGEDHM CSc1cc(F)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000593215817 400792470 /nfs/dbraw/zinc/79/24/70/400792470.db2.gz MXCGXOMGVOPBNK-UHFFFAOYSA-N -1 3 316.423 3.229 20 30 DGEDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(C#N)cc1C(F)(F)F ZINC000593332173 400822150 /nfs/dbraw/zinc/82/21/50/400822150.db2.gz CXSCVWRRZFWMGG-NOZJJQNGSA-N -1 3 312.291 3.015 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(F)c1 ZINC000619461403 400851685 /nfs/dbraw/zinc/85/16/85/400851685.db2.gz XPMKMOJQQMZHJH-UHFFFAOYSA-N -1 3 304.346 3.001 20 30 DGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000619461204 400851742 /nfs/dbraw/zinc/85/17/42/400851742.db2.gz VDIYWBNJTCKHNG-UHFFFAOYSA-N -1 3 324.764 3.346 20 30 DGEDHM C[C@@]1(C#N)CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000598693960 400860327 /nfs/dbraw/zinc/86/03/27/400860327.db2.gz HANCHUJZOOKHIL-AWEZNQCLSA-N -1 3 312.291 3.177 20 30 DGEDHM CCSCc1cc(C(=O)[N-]c2nc(C)cc(C)c2C#N)no1 ZINC000598856875 400898817 /nfs/dbraw/zinc/89/88/17/400898817.db2.gz GLYCTIFXIZSQRI-UHFFFAOYSA-N -1 3 316.386 3.064 20 30 DGEDHM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000182866089 400898809 /nfs/dbraw/zinc/89/88/09/400898809.db2.gz YEBYKZZVCUGKHS-AWEZNQCLSA-N -1 3 320.327 3.205 20 30 DGEDHM Cc1cccc(C(=O)NCc2ccc(C#N)c(Cl)c2)c1[O-] ZINC000619766014 400902793 /nfs/dbraw/zinc/90/27/93/400902793.db2.gz XRDDBJAOSPXWBR-UHFFFAOYSA-N -1 3 300.745 3.156 20 30 DGEDHM C=CCOc1ccc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1Cl ZINC000629772725 401085724 /nfs/dbraw/zinc/08/57/24/401085724.db2.gz VYDOVSPSDZJHKG-GXTWGEPZSA-N -1 3 323.820 3.447 20 30 DGEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000594333976 401046345 /nfs/dbraw/zinc/04/63/45/401046345.db2.gz YPJBEGXEGVYQQA-CQSZACIVSA-N -1 3 320.392 3.422 20 30 DGEDHM N#CC(=C([O-])c1cnn(CC2CC2)c1)c1ccc2ccccc2n1 ZINC000633894272 401140827 /nfs/dbraw/zinc/14/08/27/401140827.db2.gz GYZPWLBXHQLRHT-MRXNPFEDSA-N -1 3 316.364 3.331 20 30 DGEDHM C=CCOc1cccc([N-]S(=O)(=O)CCC(C)(F)F)c1 ZINC000632183114 401587343 /nfs/dbraw/zinc/58/73/43/401587343.db2.gz HIFFHLXWJXYJRL-UHFFFAOYSA-N -1 3 305.346 3.038 20 30 DGEDHM C=CC[C@@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000629366017 401680297 /nfs/dbraw/zinc/68/02/97/401680297.db2.gz FWCJKVBQCRRYOA-GFCCVEGCSA-N -1 3 309.793 3.315 20 30 DGEDHM COc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000193239681 165320534 /nfs/dbraw/zinc/32/05/34/165320534.db2.gz WGTFCCOWTUTAPE-UHFFFAOYSA-N -1 3 322.364 3.077 20 30 DGEDHM COCc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190925940 432202065 /nfs/dbraw/zinc/20/20/65/432202065.db2.gz LBALQLSYLKKGNQ-OAHLLOKOSA-N -1 3 317.348 3.266 20 30 DGEDHM Cn1cc(Cl)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190940207 432204052 /nfs/dbraw/zinc/20/40/52/432204052.db2.gz JEOFKLQZYGLQIR-NSHDSACASA-N -1 3 310.744 3.112 20 30 DGEDHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169263824 228266962 /nfs/dbraw/zinc/26/69/62/228266962.db2.gz IQQJAGXLUYVFOQ-GXFFZTMASA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000172589514 228276810 /nfs/dbraw/zinc/27/68/10/228276810.db2.gz TZTSWJUXFIYPPZ-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1F ZINC000180015770 228353919 /nfs/dbraw/zinc/35/39/19/228353919.db2.gz CWXBEMFDZGEWDN-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM CCOc1nc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2[n-]1 ZINC000345647763 229153127 /nfs/dbraw/zinc/15/31/27/229153127.db2.gz YYGSWIVAWKGMNH-UHFFFAOYSA-N -1 3 320.352 3.280 20 30 DGEDHM CCOc1nc2cc(C(=O)Nc3ccc(CC#N)cc3)ccc2[n-]1 ZINC000345647763 229153132 /nfs/dbraw/zinc/15/31/32/229153132.db2.gz YYGSWIVAWKGMNH-UHFFFAOYSA-N -1 3 320.352 3.280 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C(C)C)n(C)n3)nc21 ZINC000353098289 229269873 /nfs/dbraw/zinc/26/98/73/229269873.db2.gz PQQZPWGLWFKUHS-GFCCVEGCSA-N -1 3 321.384 3.218 20 30 DGEDHM N#CC(=C([O-])c1cc(F)cc(C(F)(F)F)c1)c1ccncn1 ZINC000354455787 229294930 /nfs/dbraw/zinc/29/49/30/229294930.db2.gz BEEAEIWHMRFZID-LLVKDONJSA-N -1 3 309.222 3.125 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(F)c1 ZINC000355844753 229319509 /nfs/dbraw/zinc/31/95/09/229319509.db2.gz OGXQMYRHFCLGOH-UHFFFAOYSA-N -1 3 304.346 3.001 20 30 DGEDHM N#CC(=C([O-])c1ccn(Cc2ccccc2)c1)c1ccccn1 ZINC000359499485 229379450 /nfs/dbraw/zinc/37/94/50/229379450.db2.gz GENCCIKOTVGYRN-QGZVFWFLSA-N -1 3 301.349 3.421 20 30 DGEDHM COCCOc1ccc(C#N)cc1NCc1cc([O-])cc(F)c1 ZINC000185626169 263640994 /nfs/dbraw/zinc/64/09/94/263640994.db2.gz HIYYIDHMGMQVHK-UHFFFAOYSA-N -1 3 316.332 3.040 20 30 DGEDHM Cc1ocnc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000520080653 268106015 /nfs/dbraw/zinc/10/60/15/268106015.db2.gz HVYSIZYTURDBBP-MRVPVSSYSA-N -1 3 301.371 3.293 20 30 DGEDHM C=CCNC(=O)CN[C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287888176 277863919 /nfs/dbraw/zinc/86/39/19/277863919.db2.gz YVQPSPHYZGOKMJ-GFCCVEGCSA-N -1 3 317.216 3.042 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000116905604 431536988 /nfs/dbraw/zinc/53/69/88/431536988.db2.gz UKTRYVMKYNLEJG-QMMMGPOBSA-N -1 3 311.300 3.087 20 30 DGEDHM Cc1ocnc1C(=O)[N-]c1sc2c(c1C#N)CCCCC2 ZINC000121535020 431801667 /nfs/dbraw/zinc/80/16/67/431801667.db2.gz OCPYFZFEEROHIP-UHFFFAOYSA-N -1 3 301.371 3.437 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)OCCCO3)n1 ZINC000041519122 431859594 /nfs/dbraw/zinc/85/95/94/431859594.db2.gz NVWHZCFLLTUXAJ-GFCCVEGCSA-N -1 3 314.366 3.103 20 30 DGEDHM N#CCCN(Cc1cc(Br)ccc1[O-])CC1CC1 ZINC000093091216 431913071 /nfs/dbraw/zinc/91/30/71/431913071.db2.gz AOWRSNLLIDFPCK-UHFFFAOYSA-N -1 3 309.207 3.280 20 30 DGEDHM C[C@@H](CC#N)N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000094107659 431919597 /nfs/dbraw/zinc/91/95/97/431919597.db2.gz ZOJRNHVNPXUJCK-AWEZNQCLSA-N -1 3 324.380 3.345 20 30 DGEDHM COc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000124466860 431894364 /nfs/dbraw/zinc/89/43/64/431894364.db2.gz VIJLBDOANGCQGT-UHFFFAOYSA-N -1 3 324.380 3.323 20 30 DGEDHM COc1cccc(C([O-])=C(C#N)c2ccccn2)c1OC(F)F ZINC000049456932 431940446 /nfs/dbraw/zinc/94/04/46/431940446.db2.gz RMEJCUZTKYICHE-LLVKDONJSA-N -1 3 318.279 3.182 20 30 DGEDHM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ccccn1 ZINC000102595585 431995286 /nfs/dbraw/zinc/99/52/86/431995286.db2.gz VQFPLOHRVXSHGE-HNNXBMFYSA-N -1 3 302.337 3.066 20 30 DGEDHM Cc1cc([N-]C(=O)c2ccc(COc3ccc(C#N)cc3)o2)no1 ZINC000102749945 431997704 /nfs/dbraw/zinc/99/77/04/431997704.db2.gz MCCUMTFIXDEJIU-UHFFFAOYSA-N -1 3 323.308 3.279 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2nc3c(s2)CCCC3)c(F)c1 ZINC000152431357 432333168 /nfs/dbraw/zinc/33/31/68/432333168.db2.gz KIZXZUCAXFNHNB-UHFFFAOYSA-N -1 3 319.336 3.424 20 30 DGEDHM Cc1cccnc1C(F)(F)C(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000192785572 432415635 /nfs/dbraw/zinc/41/56/35/432415635.db2.gz ZWGCRMYMOWBYRQ-XHDPSFHLSA-N -1 3 307.344 3.071 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3C)n[n-]2)o1 ZINC000194508398 432556520 /nfs/dbraw/zinc/55/65/20/432556520.db2.gz IEFQRGUVRUNZFV-UHFFFAOYSA-N -1 3 306.325 3.411 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3cc(C#N)ccc3C)[n-]n2)o1 ZINC000194508398 432556524 /nfs/dbraw/zinc/55/65/24/432556524.db2.gz IEFQRGUVRUNZFV-UHFFFAOYSA-N -1 3 306.325 3.411 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1CC(C)C ZINC000155511599 432559031 /nfs/dbraw/zinc/55/90/31/432559031.db2.gz ZDZVOZDXBLOXQM-CYBMUJFWSA-N -1 3 321.384 3.214 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1CC(C)C ZINC000155511723 432559815 /nfs/dbraw/zinc/55/98/15/432559815.db2.gz ZDZVOZDXBLOXQM-ZDUSSCGKSA-N -1 3 321.384 3.214 20 30 DGEDHM N#CCN(Cc1ccc(OCc2ccccc2)cc1[O-])C1CC1 ZINC000273576488 432614264 /nfs/dbraw/zinc/61/42/64/432614264.db2.gz YOILFYHLSXTAAR-UHFFFAOYSA-N -1 3 308.381 3.459 20 30 DGEDHM CCCOc1ccc(/C=N/C[C@@H](O)Cc2ccccc2)c([O-])c1 ZINC000264200596 432626806 /nfs/dbraw/zinc/62/68/06/432626806.db2.gz RCRFOWQQRFRORZ-NNIWKIFQSA-N -1 3 313.397 3.204 20 30 DGEDHM CCOC(C)(C)C/N=C/c1cc(Br)ccc1[O-] ZINC000186944619 432638528 /nfs/dbraw/zinc/63/85/28/432638528.db2.gz PUBUOGJJNIUYID-OVCLIPMQSA-N -1 3 300.196 3.389 20 30 DGEDHM C=CC[C@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187078195 432644904 /nfs/dbraw/zinc/64/49/04/432644904.db2.gz SHOMQWNQCYJHMA-ZDUSSCGKSA-N -1 3 309.365 3.318 20 30 DGEDHM C[C@@H]1CCN(C(=O)COc2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000274338215 432653817 /nfs/dbraw/zinc/65/38/17/432653817.db2.gz CMJOVYJKIRQUQW-CYBMUJFWSA-N -1 3 322.364 3.183 20 30 DGEDHM CCN(C[C@H](C)C#N)C(=O)c1cc([O-])ccc1C(F)(F)F ZINC000189233712 432772548 /nfs/dbraw/zinc/77/25/48/432772548.db2.gz ICMOIYVBWWIHMA-SECBINFHSA-N -1 3 300.280 3.033 20 30 DGEDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179027474 432796337 /nfs/dbraw/zinc/79/63/37/432796337.db2.gz FLCZPAZVRDNHNM-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N[C@H](C#N)C(C)(C)C)c2=O ZINC000288105794 432887257 /nfs/dbraw/zinc/88/72/57/432887257.db2.gz XETXEEQUISYSIB-CYBMUJFWSA-N -1 3 315.348 3.056 20 30 DGEDHM CCc1ccc([O-])c(C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)c1 ZINC000330425653 432909527 /nfs/dbraw/zinc/90/95/27/432909527.db2.gz JGKKSOCVHCOWRI-QWHCGFSZSA-N -1 3 318.417 3.049 20 30 DGEDHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c1 ZINC000330604163 432919541 /nfs/dbraw/zinc/91/95/41/432919541.db2.gz GRXMBESQDATZLU-LLVKDONJSA-N -1 3 316.323 3.032 20 30 DGEDHM Cc1cc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c(C)s1 ZINC000298333584 433096964 /nfs/dbraw/zinc/09/69/64/433096964.db2.gz HMHRODOFTGCVPR-DSSNYXJPSA-N -1 3 304.415 3.446 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000280637752 433119547 /nfs/dbraw/zinc/11/95/47/433119547.db2.gz CZCWEYQLUWAJAS-JTQLQIEISA-N -1 3 315.822 3.176 20 30 DGEDHM CSc1ccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000281052729 433259396 /nfs/dbraw/zinc/25/93/96/433259396.db2.gz QSMNAHVPOFRESF-YXZFXQPTSA-N -1 3 316.426 3.490 20 30 DGEDHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000350872082 433313803 /nfs/dbraw/zinc/31/38/03/433313803.db2.gz UGLKCKIYYRWAST-GFCCVEGCSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1ncc(CO)c(/C=N/c2ccc(OC(C)C)cc2F)c1[O-] ZINC000299478349 433366273 /nfs/dbraw/zinc/36/62/73/433366273.db2.gz AJADEELXYZBHDO-DNTJNYDQSA-N -1 3 318.348 3.265 20 30 DGEDHM C[C@H](C/N=C/c1ccc(O)c([O-])c1O)COCc1ccccc1 ZINC000299176640 433341047 /nfs/dbraw/zinc/34/10/47/433341047.db2.gz XTKWSOSMERCBJS-BUESGFEBSA-N -1 3 315.369 3.075 20 30 DGEDHM N#C[C@H]([N-]C(=O)c1c(F)ccc(F)c1F)c1ccccc1F ZINC000361873850 433435609 /nfs/dbraw/zinc/43/56/09/433435609.db2.gz PHJXOYCFEBVMCK-LBPRGKRZSA-N -1 3 308.234 3.238 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCCC(F)(F)C2)c1[O-] ZINC000292157194 433484192 /nfs/dbraw/zinc/48/41/92/433484192.db2.gz VWWZASDAYYHRLA-DKSCHZSNSA-N -1 3 312.360 3.222 20 30 DGEDHM CC(C)n1nccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362178546 433566095 /nfs/dbraw/zinc/56/60/95/433566095.db2.gz DGATWPNGODEGCX-LLVKDONJSA-N -1 3 322.290 3.368 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]CCc1nc(C(F)(F)F)cs1 ZINC000293367699 433714704 /nfs/dbraw/zinc/71/47/04/433714704.db2.gz HHKSNDWEERQSJQ-UHFFFAOYSA-N -1 3 314.279 3.032 20 30 DGEDHM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000414691709 433794945 /nfs/dbraw/zinc/79/49/45/433794945.db2.gz AESTYHXTGMFUPY-UHFFFAOYSA-N -1 3 317.395 3.020 20 30 DGEDHM C=CCNC(=O)c1ccc(NC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000362644701 433804086 /nfs/dbraw/zinc/80/40/86/433804086.db2.gz VFSBCPJCTPHVCN-UHFFFAOYSA-N -1 3 324.380 3.123 20 30 DGEDHM Cc1csc([N-]C(=O)c2cn(-c3ccc(C)cc3)nn2)c1C#N ZINC000344921416 433885898 /nfs/dbraw/zinc/88/58/98/433885898.db2.gz FXJCQUFOSBLNHE-UHFFFAOYSA-N -1 3 323.381 3.070 20 30 DGEDHM CC1(C#N)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000436597163 434031706 /nfs/dbraw/zinc/03/17/06/434031706.db2.gz UEHZAVDNOXWGSY-UHFFFAOYSA-N -1 3 320.392 3.163 20 30 DGEDHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000436620071 434040133 /nfs/dbraw/zinc/04/01/33/434040133.db2.gz ZGJIWKXBGLEPCI-CYBMUJFWSA-N -1 3 320.270 3.406 20 30 DGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccccc1[O-] ZINC000436627135 434041767 /nfs/dbraw/zinc/04/17/67/434041767.db2.gz NRNNIAOQWZKYGV-UHFFFAOYSA-N -1 3 313.401 3.388 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(OC(F)F)c(F)c1 ZINC000294679227 434127681 /nfs/dbraw/zinc/12/76/81/434127681.db2.gz TYIWABSCSIIJAL-UHFFFAOYSA-N -1 3 309.234 3.255 20 30 DGEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c([O-])c1C ZINC000436913406 434161284 /nfs/dbraw/zinc/16/12/84/434161284.db2.gz GARVGQOZIKDVGF-FQEVSTJZSA-N -1 3 320.392 3.190 20 30 DGEDHM N#CCC1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000437003383 434201155 /nfs/dbraw/zinc/20/11/55/434201155.db2.gz SYIHGSKEUMGIOR-UHFFFAOYSA-N -1 3 320.392 3.407 20 30 DGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000358214982 434386068 /nfs/dbraw/zinc/38/60/68/434386068.db2.gz BPOHIUQYKKTHNS-GFCCVEGCSA-N -1 3 322.817 3.464 20 30 DGEDHM COc1cc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)ccc1C#N ZINC000417572223 434445882 /nfs/dbraw/zinc/44/58/82/434445882.db2.gz YJVDKNMQOVCIMZ-SFHVURJKSA-N -1 3 324.380 3.099 20 30 DGEDHM CC[C@](C)(C#N)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000287740417 434440423 /nfs/dbraw/zinc/44/04/23/434440423.db2.gz HPBNDLCPDKTCBD-MRXNPFEDSA-N -1 3 309.329 3.096 20 30 DGEDHM CC[C@](C)(C#N)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000287740417 434440432 /nfs/dbraw/zinc/44/04/32/434440432.db2.gz HPBNDLCPDKTCBD-MRXNPFEDSA-N -1 3 309.329 3.096 20 30 DGEDHM CC[C@](C)(C#N)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000287740417 434440438 /nfs/dbraw/zinc/44/04/38/434440438.db2.gz HPBNDLCPDKTCBD-MRXNPFEDSA-N -1 3 309.329 3.096 20 30 DGEDHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000523568679 434954615 /nfs/dbraw/zinc/95/46/15/434954615.db2.gz DQAXLHXJXQBUDV-LLVKDONJSA-N -1 3 312.410 3.190 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NCCC#N)cc2)cc1 ZINC000556973084 435041823 /nfs/dbraw/zinc/04/18/23/435041823.db2.gz IIRMGGPYILKHBN-UHFFFAOYSA-N -1 3 315.398 3.121 20 30 DGEDHM C#C[C@@H](NCc1nc(C)ccc1[O-])c1ccc(Cl)cc1F ZINC000491698617 435795473 /nfs/dbraw/zinc/79/54/73/435795473.db2.gz SZQBGHGWAUTMJB-CQSZACIVSA-N -1 3 304.752 3.352 20 30 DGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCC#Cc2ccc(Cl)cc2)n1 ZINC000660747444 435879788 /nfs/dbraw/zinc/87/97/88/435879788.db2.gz JIQAYIAQOLDUQU-UHFFFAOYSA-N -1 3 315.804 3.020 20 30 DGEDHM C=C(C)CN(C)[C@@H](C(=O)[O-])c1ccc(Br)cc1F ZINC000652430519 435977433 /nfs/dbraw/zinc/97/74/33/435977433.db2.gz JOIXCNSJZGWTTJ-GFCCVEGCSA-N -1 3 316.170 3.222 20 30 DGEDHM 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CCOc1ccc(/C=N/[C@@H](C)C(=O)OC2CCCC2)c([O-])c1 ZINC000751890578 575809774 /nfs/dbraw/zinc/80/97/74/575809774.db2.gz OVMIZBPBBMKICC-HWQJWEFDSA-N -1 3 305.374 3.084 20 30 DGEDHM Cn1c2ccccc2c2cc(C(=O)Nc3[n-]ncc3C#N)sc21 ZINC000752391827 575835470 /nfs/dbraw/zinc/83/54/70/575835470.db2.gz WCHVMOLPBCZHSV-UHFFFAOYSA-N -1 3 321.365 3.240 20 30 DGEDHM Fc1ccc2oc(C=NNc3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000737667496 576109603 /nfs/dbraw/zinc/10/96/03/576109603.db2.gz RBAYVZLVHYOSCJ-UHFFFAOYSA-N -1 3 322.303 3.198 20 30 DGEDHM Fc1ccc2oc(C=NNc3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000737667496 576109607 /nfs/dbraw/zinc/10/96/07/576109607.db2.gz RBAYVZLVHYOSCJ-UHFFFAOYSA-N -1 3 322.303 3.198 20 30 DGEDHM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000727171308 576110608 /nfs/dbraw/zinc/11/06/08/576110608.db2.gz LYGIDJWETBYFNI-ZDUSSCGKSA-N -1 3 315.483 3.003 20 30 DGEDHM CCOc1ccc(/C=N\Cc2ccc(OCC#N)cc2)c([O-])c1 ZINC000727653648 576136803 /nfs/dbraw/zinc/13/68/03/576136803.db2.gz UOMPRIKIVDZFIP-MOSHPQCFSA-N -1 3 310.353 3.312 20 30 DGEDHM Cn1[n-]ccc1=NN=C(CCC(F)(F)F)CCC(F)(F)F ZINC000853334605 620687453 /nfs/dbraw/zinc/68/74/53/620687453.db2.gz LYWKRXZDVSUDFH-UHFFFAOYSA-N -1 3 316.249 3.295 20 30 DGEDHM CCCCCCCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000918936759 620731768 /nfs/dbraw/zinc/73/17/68/620731768.db2.gz SHAJIOBCKJCCJS-UHFFFAOYSA-N -1 3 313.419 3.185 20 30 DGEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cn2ccccc2n1 ZINC000806555167 617619747 /nfs/dbraw/zinc/61/97/47/617619747.db2.gz NWSDERYHYWRKMY-GQCTYLIASA-N -1 3 300.264 3.214 20 30 DGEDHM CCOc1cc(C=NOC2CCC2)cc(Br)c1[O-] ZINC000812235503 617636457 /nfs/dbraw/zinc/63/64/57/617636457.db2.gz WGFMPTXORQHBTI-UHFFFAOYSA-N -1 3 314.179 3.456 20 30 DGEDHM C=C1CCC(C(=O)OCc2noc(-c3ccccc3[O-])n2)CC1 ZINC000885651764 620760652 /nfs/dbraw/zinc/76/06/52/620760652.db2.gz FELKBARAHLIJFV-UHFFFAOYSA-N -1 3 314.341 3.232 20 30 DGEDHM CC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(OC)cc1 ZINC000018138039 618308621 /nfs/dbraw/zinc/30/86/21/618308621.db2.gz DRLDBXLANZVVSE-YEWRBRKMSA-N -1 3 314.385 3.167 20 30 DGEDHM CCC(Cc1ccccc1)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920382971 620798364 /nfs/dbraw/zinc/79/83/64/620798364.db2.gz FAXKGZVTINZYDB-UHFFFAOYSA-N -1 3 316.426 3.115 20 30 DGEDHM C=C[C@H](CC)CC(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000909523077 618800184 /nfs/dbraw/zinc/80/01/84/618800184.db2.gz VFQXRFLNCUNJFF-LLVKDONJSA-N -1 3 302.330 3.088 20 30 DGEDHM COc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1SC ZINC000840709122 618984581 /nfs/dbraw/zinc/98/45/81/618984581.db2.gz BAFVBWIEIOGQLT-UHFFFAOYSA-N -1 3 318.398 3.069 20 30 DGEDHM C[C@@H]1C[C@H](C/N=C/c2cc(Br)ccc2[O-])[C@H](C)O1 ZINC000840712600 619016805 /nfs/dbraw/zinc/01/68/05/619016805.db2.gz JWBNNBTZXIVEBL-HZCDOOTRSA-N -1 3 312.207 3.387 20 30 DGEDHM Cc1cc(F)ccc1[C@@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000899226837 619319583 /nfs/dbraw/zinc/31/95/83/619319583.db2.gz ZVGDASMWYVKRSP-JOVAIETRSA-N -1 3 302.349 3.216 20 30 DGEDHM Cc1cc(F)ccc1[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000899226838 619319790 /nfs/dbraw/zinc/31/97/90/619319790.db2.gz ZVGDASMWYVKRSP-VNQCRBAESA-N -1 3 302.349 3.216 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1c2c(nn1C)CCC2 ZINC000899345606 619327537 /nfs/dbraw/zinc/32/75/37/619327537.db2.gz QCSGEYKFDZJFSS-ANHFWZFOSA-N -1 3 312.344 3.137 20 30 DGEDHM O=C(/C=C\c1ccc([O-])cc1F)c1ccnn1CC1CCC1 ZINC000899413747 619339131 /nfs/dbraw/zinc/33/91/31/619339131.db2.gz QTGXNVIDWYSNAW-ALCCZGGFSA-N -1 3 300.333 3.424 20 30 DGEDHM O=C(C[C@H]1CC[C@@H](C2CC2)O1)N([O-])Cc1ccccc1Cl ZINC000900679022 619444922 /nfs/dbraw/zinc/44/49/22/619444922.db2.gz METAMBYQUFJIST-HIFRSBDPSA-N -1 3 309.793 3.406 20 30 DGEDHM O=C(N([O-])Cc1ccccc1Cl)[C@]12C[C@H]1COC21CCC1 ZINC000900680075 619445069 /nfs/dbraw/zinc/44/50/69/619445069.db2.gz XASHFODEIGCCLF-LRDDRELGSA-N -1 3 307.777 3.017 20 30 DGEDHM Cc1cc(C)n(CCCC(=O)N([O-])Cc2ccccc2Cl)n1 ZINC000900679717 619445081 /nfs/dbraw/zinc/44/50/81/619445081.db2.gz VDMLKHDFNIOOKX-UHFFFAOYSA-N -1 3 321.808 3.352 20 30 DGEDHM O=C(N([O-])Cc1ccc(F)cc1)C1([C@H]2CCCCO2)CCC1 ZINC000901372526 619488403 /nfs/dbraw/zinc/48/84/03/619488403.db2.gz FXGVRLJCSOIUFF-OAHLLOKOSA-N -1 3 307.365 3.283 20 30 DGEDHM O=C(c1cnn(C(F)F)c1)N([O-])Cc1cccc2ccccc21 ZINC000901371775 619490645 /nfs/dbraw/zinc/49/06/45/619490645.db2.gz YSIGYUGYRZAISD-UHFFFAOYSA-N -1 3 317.295 3.463 20 30 DGEDHM O=C(C[C@@H]1OCc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901371920 619490649 /nfs/dbraw/zinc/49/06/49/619490649.db2.gz KSTYLBPZVNUPOH-INIZCTEOSA-N -1 3 301.317 3.205 20 30 DGEDHM COc1ccc2c(c1)CC[C@@H]2C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372404 619491592 /nfs/dbraw/zinc/49/15/92/619491592.db2.gz YGYABAXPGDGSFO-KRWDZBQOSA-N -1 3 315.344 3.282 20 30 DGEDHM CC(C)c1ncc(Cl)c(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC000901374588 619491969 /nfs/dbraw/zinc/49/19/69/619491969.db2.gz MCWPTABKOGBHJA-UHFFFAOYSA-N -1 3 323.755 3.424 20 30 DGEDHM COc1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901376152 619492040 /nfs/dbraw/zinc/49/20/40/619492040.db2.gz PKTUDRWDXZYHGI-UHFFFAOYSA-N -1 3 303.333 3.185 20 30 DGEDHM COc1cccc(CCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901376348 619492338 /nfs/dbraw/zinc/49/23/38/619492338.db2.gz TYFSFEGQUOKBKS-UHFFFAOYSA-N -1 3 303.333 3.185 20 30 DGEDHM CCOc1cc(/C=C2/C(=O)c3nccn3[C@@H]2C)cc(Cl)c1[O-] ZINC000901560814 619516355 /nfs/dbraw/zinc/51/63/55/619516355.db2.gz NGGZOSIKAPKBCR-VKRGWIQLSA-N -1 3 318.760 3.482 20 30 DGEDHM C[C@H](NCC1(C#N)CC1)c1cc(Br)cc(F)c1[O-] ZINC000903105504 619717621 /nfs/dbraw/zinc/71/76/21/619717621.db2.gz CYSXTERBLWDMPG-QMMMGPOBSA-N -1 3 313.170 3.248 20 30 DGEDHM CC#CC[C@H](NCc1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000904058029 619867166 /nfs/dbraw/zinc/86/71/66/619867166.db2.gz GSXKUTKBEFQLOB-LBPRGKRZSA-N -1 3 319.710 3.315 20 30 DGEDHM O=C(C1=COCCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904183090 619889496 /nfs/dbraw/zinc/88/94/96/619889496.db2.gz VPPIALWLDSCLMH-UHFFFAOYSA-N -1 3 302.157 3.406 20 30 DGEDHM O=C([C@@H]1CCc2nccn2C1)N([O-])Cc1cccc2ccccc21 ZINC000904171125 619891439 /nfs/dbraw/zinc/89/14/39/619891439.db2.gz SFUPRNCMKTVPGW-MRXNPFEDSA-N -1 3 321.380 3.017 20 30 DGEDHM O=C([C@@H]1CCn2cncc2C1)N([O-])Cc1cccc2ccccc21 ZINC000904170641 619891620 /nfs/dbraw/zinc/89/16/20/619891620.db2.gz DWFZSLBNSXWLFH-OAHLLOKOSA-N -1 3 321.380 3.017 20 30 DGEDHM O=C([C@H]1C[C@H]2CC(=O)[C@@H]1C2)N([O-])Cc1cccc2ccccc21 ZINC000904172742 619891791 /nfs/dbraw/zinc/89/17/91/619891791.db2.gz KENDMRNCHRIWQQ-VUCTXSBTSA-N -1 3 309.365 3.173 20 30 DGEDHM CCCCn1ncc(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC000904173914 619891935 /nfs/dbraw/zinc/89/19/35/619891935.db2.gz SWCMFWGQXONQSV-UHFFFAOYSA-N -1 3 305.353 3.162 20 30 DGEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)[nH]c2c1C(=O)CCC2 ZINC000904172666 619892001 /nfs/dbraw/zinc/89/20/01/619892001.db2.gz ISRZFSOYZQGKOR-UHFFFAOYSA-N -1 3 316.332 3.013 20 30 DGEDHM Cc1ccn(C[C@H](C)C(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC000904172957 619892083 /nfs/dbraw/zinc/89/20/83/619892083.db2.gz MOEDCRIOQHSXGC-AWEZNQCLSA-N -1 3 323.396 3.399 20 30 DGEDHM CC(C)[C@H]1C[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)CCO1 ZINC000904174330 619892599 /nfs/dbraw/zinc/89/25/99/619892599.db2.gz ZIKJNGUXBIJPSF-GDBMZVCRSA-N -1 3 309.381 3.385 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC000904207195 619893428 /nfs/dbraw/zinc/89/34/28/619893428.db2.gz USRYEIMFBJHRFA-LLVKDONJSA-N -1 3 307.316 3.175 20 30 DGEDHM O=C(CCCc1ccccn1)N([O-])Cc1ccccc1Cl ZINC000904188689 619894671 /nfs/dbraw/zinc/89/46/71/619894671.db2.gz JOCQTEGMCFWBKD-UHFFFAOYSA-N -1 3 304.777 3.476 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1cc(F)cc2c1OCOC2 ZINC000904205322 619898058 /nfs/dbraw/zinc/89/80/58/619898058.db2.gz HWELBAZSGWUJDI-UHFFFAOYSA-N -1 3 311.353 3.033 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H](NC(C)=O)c1cccs1 ZINC000904205291 619898319 /nfs/dbraw/zinc/89/83/19/619898319.db2.gz GAGKBAFPEMXUTG-ZDUSSCGKSA-N -1 3 312.435 3.114 20 30 DGEDHM CCCCN([O-])C(=O)Cc1cccc(OCc2cccnc2)c1 ZINC000904212158 619901123 /nfs/dbraw/zinc/90/11/23/619901123.db2.gz LLDQXYIAFBMMJU-UHFFFAOYSA-N -1 3 314.385 3.221 20 30 DGEDHM CCOCc1nc(C)cc(N=NC(C)c2c([O-])cccc2F)n1 ZINC000905498285 620004735 /nfs/dbraw/zinc/00/47/35/620004735.db2.gz ICDUDEXLVVZQFW-UHFFFAOYSA-N -1 3 318.352 3.002 20 30 DGEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)C(C)(C)CC3)co1 ZINC000906262543 620081937 /nfs/dbraw/zinc/08/19/37/620081937.db2.gz MHBIZJGMCILPQH-UHFFFAOYSA-N -1 3 301.371 3.392 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-]C2(C#N)CCCCC2)c1 ZINC000906479370 620101184 /nfs/dbraw/zinc/10/11/84/620101184.db2.gz MRRDESQJTDUGRT-UHFFFAOYSA-N -1 3 308.328 3.130 20 30 DGEDHM Cc1cccc2c1NC(=O)C2=N[N-]c1ncccc1C(F)(F)F ZINC000915050453 620565644 /nfs/dbraw/zinc/56/56/44/620565644.db2.gz QJOSQSQJGGVFGZ-UHFFFAOYSA-N -1 3 320.274 3.177 20 30 DGEDHM COc1ccc([C@@H](O)C/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000915113323 620568479 /nfs/dbraw/zinc/56/84/79/620568479.db2.gz UROHEWZNWNMJSD-RSFAQHHSSA-N -1 3 305.761 3.207 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2csc3ccccc23)c1[O-] ZINC000915982405 620611266 /nfs/dbraw/zinc/61/12/66/620611266.db2.gz ZEYWLPSVGFOFKE-LSCVHKIXSA-N -1 3 312.394 3.422 20 30 DGEDHM CCn1cc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)cn1 ZINC000920991844 620830589 /nfs/dbraw/zinc/83/05/89/620830589.db2.gz IZCXVQXOPNKNPC-PLNGDYQASA-N -1 3 306.749 3.167 20 30 DGEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000770393860 620889540 /nfs/dbraw/zinc/88/95/40/620889540.db2.gz SZDHJYWNSVNJCC-VIFPVBQESA-N -1 3 306.214 3.074 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(F)cc2F)c1[O-] ZINC000005111044 620924848 /nfs/dbraw/zinc/92/48/48/620924848.db2.gz KJENICDMWKICHA-SBZQOHANSA-N -1 3 306.312 3.046 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000856034204 620956077 /nfs/dbraw/zinc/95/60/77/620956077.db2.gz IHKXGUOMBCNYIL-UHFFFAOYSA-N -1 3 320.389 3.200 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCOc1cccnc1 ZINC000114217512 620992932 /nfs/dbraw/zinc/99/29/32/620992932.db2.gz ZHHLQYKGDWSYKV-RQZCQDPDSA-N -1 3 321.174 3.048 20 30 DGEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)CC(C)C ZINC000753546321 621447563 /nfs/dbraw/zinc/44/75/63/621447563.db2.gz NBBHLOKPGQHMPR-LBPRGKRZSA-N -1 3 310.344 3.232 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(C3CCC3)cc2)c1[O-] ZINC000754823053 621535346 /nfs/dbraw/zinc/53/53/46/621535346.db2.gz YPZADDRCQXPFHD-JAIQZWGSSA-N -1 3 310.397 3.475 20 30 DGEDHM C#CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000862096689 621555124 /nfs/dbraw/zinc/55/51/24/621555124.db2.gz AYVRLFOGEVHRFH-LLVKDONJSA-N -1 3 322.202 3.030 20 30 DGEDHM [O-]c1cccc(Cl)c1C=NN1C(=S)N=NC1c1ccco1 ZINC000755532924 621577658 /nfs/dbraw/zinc/57/76/58/621577658.db2.gz RNGPJGXGJOUWNJ-UHFFFAOYSA-N -1 3 320.761 3.068 20 30 DGEDHM CCC(F)(F)C(C)(C)C/N=C\c1c([O-])c(C)ncc1CO ZINC000864345736 621758500 /nfs/dbraw/zinc/75/85/00/621758500.db2.gz FCYWPVMVDRBMDB-WSVATBPTSA-N -1 3 300.349 3.078 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1ccc(OC(C)C)cc1 ZINC000759718652 621885461 /nfs/dbraw/zinc/88/54/61/621885461.db2.gz WTVSJYDCZOVIBM-UHFFFAOYSA-N -1 3 305.403 3.249 20 30 DGEDHM CCc1ccc([C@H](COC)N[C@H](C)c2cccc(C#N)c2[O-])o1 ZINC000866272854 622081881 /nfs/dbraw/zinc/08/18/81/622081881.db2.gz WGMRDGKCEQXWRQ-WBMJQRKESA-N -1 3 314.385 3.458 20 30 DGEDHM CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])[nH]1 ZINC000866347446 622099508 /nfs/dbraw/zinc/09/95/08/622099508.db2.gz UQCBBYNTMYWPQW-SDDRHHMPSA-N -1 3 313.405 3.307 20 30 DGEDHM Cc1cc(=O)[n-]c(CSCCCOc2cccc(C#N)c2)n1 ZINC000763217285 622130953 /nfs/dbraw/zinc/13/09/53/622130953.db2.gz SGMKMPROXCFZSR-UHFFFAOYSA-N -1 3 315.398 3.065 20 30 DGEDHM COc1cc(C=NNCc2cccc(C)c2)cc(Cl)c1[O-] ZINC000764710264 622214844 /nfs/dbraw/zinc/21/48/44/622214844.db2.gz UOCJDXUKMRHTSU-UHFFFAOYSA-N -1 3 304.777 3.486 20 30 DGEDHM COc1cc(C=NNCCc2ccccc2F)cc(Cl)c1[O-] ZINC000764718498 622215644 /nfs/dbraw/zinc/21/56/44/622215644.db2.gz ZZGSFQSOLMJOEA-UHFFFAOYSA-N -1 3 322.767 3.360 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccco1 ZINC000764794178 622221746 /nfs/dbraw/zinc/22/17/46/622221746.db2.gz KUOCXICNMXQEHZ-GFCCVEGCSA-N -1 3 314.341 3.106 20 30 DGEDHM CCC(N=Nc1nc(C)cc(=O)[n-]1)c1ccc2c(c1)CCCO2 ZINC000765545042 622272123 /nfs/dbraw/zinc/27/21/23/622272123.db2.gz ZMYOFAIAQSUAPM-UHFFFAOYSA-N -1 3 312.373 3.042 20 30 DGEDHM N#Cc1cc(Cl)nc(NN=Cc2ccc([O-])c(Cl)c2)c1 ZINC000768381716 622453567 /nfs/dbraw/zinc/45/35/67/622453567.db2.gz LPRAAYTUUZWILS-UHFFFAOYSA-N -1 3 307.140 3.412 20 30 DGEDHM CCCOc1ccc(CCC(=O)[N-]Oc2cccc(C#N)c2)cc1 ZINC000870693047 622497202 /nfs/dbraw/zinc/49/72/02/622497202.db2.gz WGIVFYPDOSQSLQ-UHFFFAOYSA-N -1 3 324.380 3.390 20 30 DGEDHM C[C@H](C#N)CN(Cc1cc(Br)ccc1[O-])C1CC1 ZINC000769545966 622539705 /nfs/dbraw/zinc/53/97/05/622539705.db2.gz SISVQTGHQVVSQP-SNVBAGLBSA-N -1 3 309.207 3.279 20 30 DGEDHM COc1c([O-])c(C=NNc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000773053645 622973724 /nfs/dbraw/zinc/97/37/24/622973724.db2.gz LZSWVAJKPHTXIB-UHFFFAOYSA-N -1 3 323.255 3.033 20 30 DGEDHM COc1c([O-])c(CN=Nc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000773053645 622973726 /nfs/dbraw/zinc/97/37/26/622973726.db2.gz LZSWVAJKPHTXIB-UHFFFAOYSA-N -1 3 323.255 3.033 20 30 DGEDHM COc1cc(Cl)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000773905379 623087594 /nfs/dbraw/zinc/08/75/94/623087594.db2.gz HPRYSIKDQQNAIU-UHFFFAOYSA-N -1 3 306.749 3.001 20 30 DGEDHM COC(=O)c1coc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)c1 ZINC000774115745 623109129 /nfs/dbraw/zinc/10/91/29/623109129.db2.gz RAHMIVSXMSLQDQ-KIFNTFBYSA-N -1 3 316.284 3.294 20 30 DGEDHM CC(=NOC1CCOCC1)c1cc(Br)ccc1[O-] ZINC000774467537 623149376 /nfs/dbraw/zinc/14/93/76/623149376.db2.gz DJBCJSYLDJTJFT-UHFFFAOYSA-N -1 3 314.179 3.074 20 30 DGEDHM N#Cc1cc(F)ccc1COC(=O)c1cccc(Cl)c1[O-] ZINC000775932692 623352534 /nfs/dbraw/zinc/35/25/34/623352534.db2.gz JPEPIJVKIVEGRY-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM CCOc1cc(C=NNc2cccc(OC)n2)cc(Cl)c1[O-] ZINC000779819194 623813941 /nfs/dbraw/zinc/81/39/41/623813941.db2.gz KQGMIKWWYLKAKB-UHFFFAOYSA-N -1 3 321.764 3.294 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000779869859 623823988 /nfs/dbraw/zinc/82/39/88/623823988.db2.gz MRPQMIRWHUGYJZ-UHFFFAOYSA-N -1 3 323.396 3.268 20 30 DGEDHM N#Cc1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])nc1 ZINC000780554620 623950435 /nfs/dbraw/zinc/95/04/35/623950435.db2.gz AITROPOXHCDMNZ-UHFFFAOYSA-N -1 3 308.168 3.255 20 30 DGEDHM CCc1cccc(C(=O)Nc2ccccc2O[C@H](C)C#N)c1[O-] ZINC000781034656 624012046 /nfs/dbraw/zinc/01/20/46/624012046.db2.gz MSGKUQGORZFSJI-GFCCVEGCSA-N -1 3 310.353 3.498 20 30 DGEDHM C=CC(C)(C)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000879196292 624447887 /nfs/dbraw/zinc/44/78/87/624447887.db2.gz YNEHBPZKDXYYPC-UHFFFAOYSA-N -1 3 312.207 3.373 20 30 DGEDHM C=C(C)C[C@@H](C)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784754759 624579557 /nfs/dbraw/zinc/57/95/57/624579557.db2.gz FEUNWTLMBMVZNJ-LLVKDONJSA-N -1 3 302.330 3.088 20 30 DGEDHM N#Cc1c(COC(=O)c2cc3occc3[n-]2)cn2ccccc12 ZINC000786033505 624781192 /nfs/dbraw/zinc/78/11/92/624781192.db2.gz KQPUITPNVFHESR-UHFFFAOYSA-N -1 3 305.293 3.242 20 30 DGEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(CC)cc1[O-] ZINC000786845128 624958616 /nfs/dbraw/zinc/95/86/16/624958616.db2.gz TWQHHZVTFCQMTC-UHFFFAOYSA-N -1 3 311.356 3.369 20 30 DGEDHM N#Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)c(F)c1 ZINC000792144467 625914683 /nfs/dbraw/zinc/91/46/83/625914683.db2.gz WXOVVSRNXAXNBZ-UHFFFAOYSA-N -1 3 320.323 3.486 20 30 DGEDHM CC(C)n1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)nn1 ZINC000806571776 626722465 /nfs/dbraw/zinc/72/24/65/626722465.db2.gz ZIXBARVSFIETRF-CAXXOGMASA-N -1 3 301.321 3.087 20 30 DGEDHM CCOc1cc(C=NNC[C@@H]2CCSC2)cc(Cl)c1[O-] ZINC000811663118 627302426 /nfs/dbraw/zinc/30/24/26/627302426.db2.gz ZTZVLKIHOSVYMG-JTQLQIEISA-N -1 3 314.838 3.121 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnn(CC(F)F)c1 ZINC000814187366 627548646 /nfs/dbraw/zinc/54/86/46/627548646.db2.gz HSCUJDRYBRDZDK-JVVDXDAESA-N -1 3 322.286 3.376 20 30 DGEDHM [O-]c1c(C=Nn2cc(Br)cn2)ccc2ccccc12 ZINC000814884807 627602923 /nfs/dbraw/zinc/60/29/23/627602923.db2.gz ZQVDBCYROKRCHC-UHFFFAOYSA-N -1 3 316.158 3.387 20 30 DGEDHM [O-]c1c(C=NNCCOCC(F)(F)F)ccc2ccccc12 ZINC000814890482 627603845 /nfs/dbraw/zinc/60/38/45/627603845.db2.gz VTUNCIIHQGXSSH-UHFFFAOYSA-N -1 3 312.291 3.048 20 30 DGEDHM [O-]c1ccc(CN=Nc2nnc(-c3ccccc3)s2)cc1F ZINC000814948820 627613281 /nfs/dbraw/zinc/61/32/81/627613281.db2.gz GVNWSBDAUAUAET-UHFFFAOYSA-N -1 3 314.345 3.496 20 30 DGEDHM C#CCCN(CC(F)(F)F)C(=O)c1cc([O-])ccc1Cl ZINC000816134856 627742792 /nfs/dbraw/zinc/74/27/92/627742792.db2.gz MNVNMCXFHOJWOO-UHFFFAOYSA-N -1 3 305.683 3.073 20 30 DGEDHM N#Cc1ccc(CNCc2cc(Cl)c(F)cc2[O-])c(F)c1 ZINC000816547938 627805949 /nfs/dbraw/zinc/80/59/49/627805949.db2.gz OLKCAXJIJCPZBB-UHFFFAOYSA-N -1 3 308.715 3.485 20 30 DGEDHM N#CCOc1ccc(CC(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000816769190 627828474 /nfs/dbraw/zinc/82/84/74/627828474.db2.gz XOHMZJNXKAZEMQ-UHFFFAOYSA-N -1 3 316.744 3.129 20 30 DGEDHM CC[C@@H](N[C@@H](CCO)c1ccco1)c1cccc(C#N)c1[O-] ZINC000926195892 627858864 /nfs/dbraw/zinc/85/88/64/627858864.db2.gz GOEHDMGTFOSTFE-CABCVRRESA-N -1 3 300.358 3.021 20 30 DGEDHM C[C@H](C#N)C[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817534239 627916956 /nfs/dbraw/zinc/91/69/56/627916956.db2.gz QMZBKKMJRGUHLE-SSDOTTSWSA-N -1 3 307.127 3.361 20 30 DGEDHM C=CCCCC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000819734905 628183900 /nfs/dbraw/zinc/18/39/00/628183900.db2.gz XJOFEDTUEKSQFI-UHFFFAOYSA-N -1 3 305.407 3.094 20 30 DGEDHM C=CCCCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000819734905 628183904 /nfs/dbraw/zinc/18/39/04/628183904.db2.gz XJOFEDTUEKSQFI-UHFFFAOYSA-N -1 3 305.407 3.094 20 30 DGEDHM C=CCCCC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734736 628184019 /nfs/dbraw/zinc/18/40/19/628184019.db2.gz RZWJGUQONMOLLP-UHFFFAOYSA-N -1 3 313.405 3.212 20 30 DGEDHM C=CCCCC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734736 628184020 /nfs/dbraw/zinc/18/40/20/628184020.db2.gz RZWJGUQONMOLLP-UHFFFAOYSA-N -1 3 313.405 3.212 20 30 DGEDHM C=C(Cl)CSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819729161 628184167 /nfs/dbraw/zinc/18/41/67/628184167.db2.gz DRUIQZSHSQNQSO-UHFFFAOYSA-N -1 3 310.810 3.121 20 30 DGEDHM C=C(Cl)CSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819729161 628184171 /nfs/dbraw/zinc/18/41/71/628184171.db2.gz DRUIQZSHSQNQSO-UHFFFAOYSA-N -1 3 310.810 3.121 20 30 DGEDHM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(OCC#N)cc1 ZINC000820147845 628229374 /nfs/dbraw/zinc/22/93/74/628229374.db2.gz IMAXNSWCPGFDBF-CYBMUJFWSA-N -1 3 310.353 3.138 20 30 DGEDHM CCCCCC[C@H](C)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821049629 628332327 /nfs/dbraw/zinc/33/23/27/628332327.db2.gz LUNNGBYRPCMLDV-NSHDSACASA-N -1 3 306.439 3.211 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822196799 628429063 /nfs/dbraw/zinc/42/90/63/628429063.db2.gz XHXPUYXZSXEOOA-HWKANZROSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)O2 ZINC000822212808 628429785 /nfs/dbraw/zinc/42/97/85/628429785.db2.gz IENTWIDEALQXRL-MKMNVTDBSA-N -1 3 324.365 3.161 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)O2 ZINC000822212808 628429787 /nfs/dbraw/zinc/42/97/87/628429787.db2.gz IENTWIDEALQXRL-MKMNVTDBSA-N -1 3 324.365 3.161 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000822225180 628430888 /nfs/dbraw/zinc/43/08/88/628430888.db2.gz RILTXASRSGLVEM-GQCTYLIASA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000822225180 628430889 /nfs/dbraw/zinc/43/08/89/628430889.db2.gz RILTXASRSGLVEM-GQCTYLIASA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822284438 628436286 /nfs/dbraw/zinc/43/62/86/628436286.db2.gz RUILDXJRJWPRSW-BQYQJAHWSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822284438 628436289 /nfs/dbraw/zinc/43/62/89/628436289.db2.gz RUILDXJRJWPRSW-BQYQJAHWSA-N -1 3 308.316 3.210 20 30 DGEDHM N#Cc1ccc(CSc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822826442 628499542 /nfs/dbraw/zinc/49/95/42/628499542.db2.gz YSSPVRFUHJNHEV-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(CSc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822826442 628499543 /nfs/dbraw/zinc/49/95/43/628499543.db2.gz YSSPVRFUHJNHEV-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM C#CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823837551 628601040 /nfs/dbraw/zinc/60/10/40/628601040.db2.gz FADMXMOUBYWFMM-OAHLLOKOSA-N -1 3 307.332 3.182 20 30 DGEDHM C#CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823838804 628601213 /nfs/dbraw/zinc/60/12/13/628601213.db2.gz UZUPUOWQBHIRPK-CQSZACIVSA-N -1 3 324.775 3.092 20 30 DGEDHM C#CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823838804 628601217 /nfs/dbraw/zinc/60/12/17/628601217.db2.gz UZUPUOWQBHIRPK-CQSZACIVSA-N -1 3 324.775 3.092 20 30 DGEDHM C#CCCCCCC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823842202 628601830 /nfs/dbraw/zinc/60/18/30/628601830.db2.gz YXRKNGOBORXPAU-CYBMUJFWSA-N -1 3 312.373 3.055 20 30 DGEDHM C#CCCCCCC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823842202 628601834 /nfs/dbraw/zinc/60/18/34/628601834.db2.gz YXRKNGOBORXPAU-CYBMUJFWSA-N -1 3 312.373 3.055 20 30 DGEDHM C#CCCCCCC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823840694 628601965 /nfs/dbraw/zinc/60/19/65/628601965.db2.gz BPBIPCUNYYQNSY-ZDUSSCGKSA-N -1 3 312.373 3.055 20 30 DGEDHM C#CCCCCCC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823840694 628601967 /nfs/dbraw/zinc/60/19/67/628601967.db2.gz BPBIPCUNYYQNSY-ZDUSSCGKSA-N -1 3 312.373 3.055 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823841256 628601978 /nfs/dbraw/zinc/60/19/78/628601978.db2.gz KPGBKOQLVUJANH-UHFFFAOYSA-N -1 3 317.780 3.042 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823841256 628601980 /nfs/dbraw/zinc/60/19/80/628601980.db2.gz KPGBKOQLVUJANH-UHFFFAOYSA-N -1 3 317.780 3.042 20 30 DGEDHM C=CCCC[C@@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823893962 628607842 /nfs/dbraw/zinc/60/78/42/628607842.db2.gz CMTLODPWACNHGB-SECBINFHSA-N -1 3 322.315 3.047 20 30 DGEDHM C=CCCC[C@@H](C)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823893962 628607845 /nfs/dbraw/zinc/60/78/45/628607845.db2.gz CMTLODPWACNHGB-SECBINFHSA-N -1 3 322.315 3.047 20 30 DGEDHM C=CCCC[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823894453 628608085 /nfs/dbraw/zinc/60/80/85/628608085.db2.gz QLJINKLPDXWPRY-YLGBQOPLSA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCCC[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823894453 628608087 /nfs/dbraw/zinc/60/80/87/628608087.db2.gz QLJINKLPDXWPRY-YLGBQOPLSA-N -1 3 312.373 3.168 20 30 DGEDHM C[C@@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000824384718 628656517 /nfs/dbraw/zinc/65/65/17/628656517.db2.gz GCHSTJZVDDBNIR-CYBMUJFWSA-N -1 3 306.373 3.143 20 30 DGEDHM C[C@@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000824384718 628656520 /nfs/dbraw/zinc/65/65/20/628656520.db2.gz GCHSTJZVDDBNIR-CYBMUJFWSA-N -1 3 306.373 3.143 20 30 DGEDHM C[C@@H](SCc1ccnc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824757202 628690177 /nfs/dbraw/zinc/69/01/77/628690177.db2.gz UKZCVMFHMGVCOV-LLVKDONJSA-N -1 3 322.397 3.128 20 30 DGEDHM C[C@@H](SCc1ccnc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824757202 628690178 /nfs/dbraw/zinc/69/01/78/628690178.db2.gz UKZCVMFHMGVCOV-LLVKDONJSA-N -1 3 322.397 3.128 20 30 DGEDHM CC[C@H]1CCC[C@@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825195369 628736666 /nfs/dbraw/zinc/73/66/66/628736666.db2.gz WTRYNXVURXIYIF-DZGCQCFKSA-N -1 3 312.421 3.159 20 30 DGEDHM CC[C@H]1CCC[C@@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825195369 628736667 /nfs/dbraw/zinc/73/66/67/628736667.db2.gz WTRYNXVURXIYIF-DZGCQCFKSA-N -1 3 312.421 3.159 20 30 DGEDHM C[C@@]1(C#N)CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825498178 628768677 /nfs/dbraw/zinc/76/86/77/628768677.db2.gz XOVSYWRTQSLFGH-AWEZNQCLSA-N -1 3 309.207 3.280 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825704848 628787876 /nfs/dbraw/zinc/78/78/76/628787876.db2.gz OKCQSEUOCLEESN-YFHOEESVSA-N -1 3 322.343 3.464 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825704848 628787879 /nfs/dbraw/zinc/78/78/79/628787879.db2.gz OKCQSEUOCLEESN-YFHOEESVSA-N -1 3 322.343 3.464 20 30 DGEDHM COc1cc(-c2nnn[n-]2)ccc1CSc1cccc(C#N)c1 ZINC000826173671 628831788 /nfs/dbraw/zinc/83/17/88/628831788.db2.gz PATFEWOCWAPDBH-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1cc(-c2nn[n-]n2)ccc1CSc1cccc(C#N)c1 ZINC000826173671 628831793 /nfs/dbraw/zinc/83/17/93/628831793.db2.gz PATFEWOCWAPDBH-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Clc1cc(N=NC=CCc2ccco2)ccc1-c1nnn[n-]1 ZINC000826351327 628845505 /nfs/dbraw/zinc/84/55/05/628845505.db2.gz IKMADOATSAQUMM-MAPOGHOJSA-N -1 3 314.736 3.224 20 30 DGEDHM Clc1cc(N=NC=CCc2ccco2)ccc1-c1nn[n-]n1 ZINC000826351327 628845507 /nfs/dbraw/zinc/84/55/07/628845507.db2.gz IKMADOATSAQUMM-MAPOGHOJSA-N -1 3 314.736 3.224 20 30 DGEDHM N#CCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381534 628850307 /nfs/dbraw/zinc/85/03/07/628850307.db2.gz PKJJIKMORGLVEA-OAHLLOKOSA-N -1 3 322.347 3.463 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000826400960 628851035 /nfs/dbraw/zinc/85/10/35/628851035.db2.gz LZEJRZJPHLATLK-BQYQJAHWSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000826400960 628851037 /nfs/dbraw/zinc/85/10/37/628851037.db2.gz LZEJRZJPHLATLK-BQYQJAHWSA-N -1 3 312.279 3.041 20 30 DGEDHM CCCN(Cc1ccc(F)cc1C#N)C1CCN(C(=O)[O-])CC1 ZINC000826912044 628902874 /nfs/dbraw/zinc/90/28/74/628902874.db2.gz NEQRFNQUYHIDRH-UHFFFAOYSA-N -1 3 319.380 3.052 20 30 DGEDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829497203 629162691 /nfs/dbraw/zinc/16/26/91/629162691.db2.gz XVTNRCXOYOMUDW-SFHVURJKSA-N -1 3 324.380 3.302 20 30 DGEDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829497203 629162693 /nfs/dbraw/zinc/16/26/93/629162693.db2.gz XVTNRCXOYOMUDW-SFHVURJKSA-N -1 3 324.380 3.302 20 30 DGEDHM CCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830063846 629221142 /nfs/dbraw/zinc/22/11/42/629221142.db2.gz KDMFMPSEDRWJSC-FZKQIMNGSA-N -1 3 324.380 3.433 20 30 DGEDHM CCCCCCCC[C@@H](C)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000830893700 629317356 /nfs/dbraw/zinc/31/73/56/629317356.db2.gz LVBDLCHJZCQZNL-CQSZACIVSA-N -1 3 319.449 3.454 20 30 DGEDHM N#Cc1cccc([C@H](NCc2ccc(Cl)s2)C(=O)[O-])c1 ZINC000833074896 629555255 /nfs/dbraw/zinc/55/52/55/629555255.db2.gz GGZOEBVTVLLCPH-ZDUSSCGKSA-N -1 3 306.774 3.189 20 30 DGEDHM C=CCN(CCc1ccco1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833374683 629594359 /nfs/dbraw/zinc/59/43/59/629594359.db2.gz XSXPLHUWSIMVQJ-UHFFFAOYSA-N -1 3 303.333 3.348 20 30 DGEDHM C[C@@H](C(=O)[O-])[C@@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000833411108 629600165 /nfs/dbraw/zinc/60/01/65/629600165.db2.gz LVDRRNDGOYYYQG-RDTXWAMCSA-N -1 3 311.356 3.229 20 30 DGEDHM COc1c([O-])ccc(C=NN[C@@H]2CCCCC2(C)C)c1[N+](=O)[O-] ZINC000834976341 629816397 /nfs/dbraw/zinc/81/63/97/629816397.db2.gz DAQQBBHCZGKIRG-CYBMUJFWSA-N -1 3 321.377 3.201 20 30 DGEDHM O=C([O-])c1ccc(NNC2=C[C@H](C(F)(F)F)OCC2)c(F)c1 ZINC000835009401 629821793 /nfs/dbraw/zinc/82/17/93/629821793.db2.gz VHKJXUYSHYHWIS-LLVKDONJSA-N -1 3 320.242 3.033 20 30 DGEDHM N#C[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C1CCCCC1 ZINC000845190843 631130149 /nfs/dbraw/zinc/13/01/49/631130149.db2.gz ALDOZRPKPLANKS-LBPRGKRZSA-N -1 3 308.765 3.257 20 30 DGEDHM C=C(C)CC[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000845872216 631199856 /nfs/dbraw/zinc/19/98/56/631199856.db2.gz DURCJBNESJSLFE-LBPRGKRZSA-N -1 3 316.401 3.496 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000846542800 631258062 /nfs/dbraw/zinc/25/80/62/631258062.db2.gz CHIQYBQPKYDEOV-NSHDSACASA-N -1 3 304.321 3.036 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)C2CCC(F)(F)CC2)c1[O-] ZINC000846757115 631296640 /nfs/dbraw/zinc/29/66/40/631296640.db2.gz SPBLRGYLEHXASW-UDKNBNFDSA-N -1 3 312.360 3.221 20 30 DGEDHM C#C[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000848280809 631639294 /nfs/dbraw/zinc/63/92/94/631639294.db2.gz NSFYRBQPXBEJIA-INIZCTEOSA-N -1 3 319.404 3.468 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2c2ccccc2Cl)c1[O-] ZINC000849172718 631852567 /nfs/dbraw/zinc/85/25/67/631852567.db2.gz YPMJHQKRNXVPRA-GZGXQQDXSA-N -1 3 316.788 3.216 20 30 DGEDHM COC(=O)c1ccc([O-])c([C@H](C)NCC2(C#N)CCCCC2)c1 ZINC000850549948 632190033 /nfs/dbraw/zinc/19/00/33/632190033.db2.gz MIUJTGHCHGVJBR-ZDUSSCGKSA-N -1 3 316.401 3.303 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C1CCCC1 ZINC000851139024 632320478 /nfs/dbraw/zinc/32/04/78/632320478.db2.gz KZWNHFSZPPIKPV-ZDUSSCGKSA-N -1 3 316.401 3.330 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2cnnn2Cc2ccccc2)ccc1[O-] ZINC000792883345 660991594 /nfs/dbraw/zinc/99/15/94/660991594.db2.gz LEKJDUZAFQEPGC-NTMALXAHSA-N -1 3 319.364 3.237 20 30 DGEDHM COC(=O)c1cc(NN=C(C)c2ccc([O-])cc2F)ccc1C ZINC000793098852 661004843 /nfs/dbraw/zinc/00/48/43/661004843.db2.gz WHQSNDOZXABGEA-UHFFFAOYSA-N -1 3 316.332 3.462 20 30 DGEDHM CCCCCCCS(=O)(=O)[N-]c1ccc(OC(F)F)cn1 ZINC000794073810 661066934 /nfs/dbraw/zinc/06/69/34/661066934.db2.gz LRWBTJRVQQESFO-UHFFFAOYSA-N -1 3 322.377 3.395 20 30 DGEDHM [O-]c1ccc(F)c(C=NNc2ncnc3sccc32)c1F ZINC000794477620 661086486 /nfs/dbraw/zinc/08/64/86/661086486.db2.gz DJFDUDVUDRLYFE-UHFFFAOYSA-N -1 3 306.297 3.121 20 30 DGEDHM CC(C)c1nc(C#N)c(N=NCc2c(F)ccc([O-])c2F)o1 ZINC000794503487 661088005 /nfs/dbraw/zinc/08/80/05/661088005.db2.gz YKBIVTZQTYXCLZ-UHFFFAOYSA-N -1 3 306.272 3.099 20 30 DGEDHM [O-]c1ccc(F)c(C=NNCCCOc2ccccc2)c1F ZINC000794508700 661088139 /nfs/dbraw/zinc/08/81/39/661088139.db2.gz YLKDRBCRVZLJQX-UHFFFAOYSA-N -1 3 306.312 3.063 20 30 DGEDHM COc1ccc2c(c1)C(=O)/C(=C\c1c(F)ccc([O-])c1F)CO2 ZINC000794938454 661115272 /nfs/dbraw/zinc/11/52/72/661115272.db2.gz PPVFANKKKXWBEH-TWGQIWQCSA-N -1 3 318.275 3.338 20 30 DGEDHM COc1ccc(O)cc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC000794945787 661115591 /nfs/dbraw/zinc/11/55/91/661115591.db2.gz OXMONUTUWJWPLE-HWKANZROSA-N -1 3 306.264 3.281 20 30 DGEDHM [O-]c1ccc(CN=Nc2cccc(F)n2)cc1Br ZINC000795009157 661121386 /nfs/dbraw/zinc/12/13/86/661121386.db2.gz XGXFSOHHOIYBOZ-UHFFFAOYSA-N -1 3 310.126 3.135 20 30 DGEDHM N#CCCCOc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000255060704 655588497 /nfs/dbraw/zinc/58/84/97/655588497.db2.gz RJFDMJIQHDUVIX-UHFFFAOYSA-N -1 3 312.325 3.237 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2ccccc2Br)c1O ZINC000255127767 655605255 /nfs/dbraw/zinc/60/52/55/655605255.db2.gz BUZUEGKKLKUWDI-UHFFFAOYSA-N -1 3 308.131 3.317 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccn(-c3ccccc3)n2)ccc1[O-] ZINC000160813184 655679490 /nfs/dbraw/zinc/67/94/90/655679490.db2.gz LAXULKRLOMRIBR-CSKARUKUSA-N -1 3 320.348 3.483 20 30 DGEDHM CCN(CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000065044856 655731650 /nfs/dbraw/zinc/73/16/50/655731650.db2.gz PVHGVRFEWLZMQU-UHFFFAOYSA-N -1 3 311.345 3.179 20 30 DGEDHM CN(C)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000255566563 655803344 /nfs/dbraw/zinc/80/33/44/655803344.db2.gz ZFCYYDRHCVDVSA-CJMVGXJBSA-N -1 3 313.357 3.022 20 30 DGEDHM CCC(CC)[C@@H](O)C/N=C\c1cc(Br)ccc1[O-] ZINC000255567978 655803796 /nfs/dbraw/zinc/80/37/96/655803796.db2.gz MZRWIIMIJPJAOJ-XTIFCCNPSA-N -1 3 314.223 3.371 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cnn(C(C)C)c2)c(OC)cc1[O-] ZINC000177907064 655949600 /nfs/dbraw/zinc/94/96/00/655949600.db2.gz FSDHPGJVOQKJBY-AATRIKPKSA-N -1 3 316.357 3.083 20 30 DGEDHM C=CCCCCCC[N-]S(=O)(=O)c1cccnc1Cl ZINC000311622080 656008009 /nfs/dbraw/zinc/00/80/09/656008009.db2.gz MGLDDPOOOXIHJM-UHFFFAOYSA-N -1 3 302.827 3.150 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCCCC2CCOCC2)c1 ZINC000811186815 661231257 /nfs/dbraw/zinc/23/12/57/661231257.db2.gz ZRALDHCDDWNUGF-UHFFFAOYSA-N -1 3 303.358 3.018 20 30 DGEDHM COc1ccccc1CCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187944 661231290 /nfs/dbraw/zinc/23/12/90/661231290.db2.gz QNSXLNUOTZLIEK-UHFFFAOYSA-N -1 3 311.337 3.062 20 30 DGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)c(F)c1 ZINC000811186869 661231332 /nfs/dbraw/zinc/23/13/32/661231332.db2.gz BNGZQBXYDDKBJD-VIFPVBQESA-N -1 3 303.264 3.460 20 30 DGEDHM CC(C)Oc1ccc(COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186073 661231349 /nfs/dbraw/zinc/23/13/49/661231349.db2.gz AWSGOXKAGOOYPE-UHFFFAOYSA-N -1 3 311.337 3.408 20 30 DGEDHM O=C1Nc2ccc(Cl)cc2C1=N[N-]c1ccc(Cl)nn1 ZINC000020791349 658721440 /nfs/dbraw/zinc/72/14/40/658721440.db2.gz DBWZQXDCFDDLCY-UHFFFAOYSA-N -1 3 308.128 3.201 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/CCOc1ccc2c(c1)OCO2 ZINC000044011036 658848602 /nfs/dbraw/zinc/84/86/02/658848602.db2.gz GJDAACOTKFBDBL-GIJQJNRQSA-N -1 3 319.744 3.272 20 30 DGEDHM Cc1ccc(C)c(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000060944115 659218889 /nfs/dbraw/zinc/21/88/89/659218889.db2.gz HAEILKHSNLSPJG-UHFFFAOYSA-N -1 3 324.380 3.018 20 30 DGEDHM C#CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C(C)(C)C ZINC000932465105 661571960 /nfs/dbraw/zinc/57/19/60/661571960.db2.gz SXBKOONHBAEFPN-UHFFFAOYSA-N -1 3 309.369 3.315 20 30 DGEDHM N#CCCN(Cc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC000159042534 661881711 /nfs/dbraw/zinc/88/17/11/661881711.db2.gz REJCRTLHFATRJR-UHFFFAOYSA-N -1 3 301.777 3.356 20 30 DGEDHM N#CCCCOc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000188223331 661921934 /nfs/dbraw/zinc/92/19/34/661921934.db2.gz OSHGOFFIPILSOX-UHFFFAOYSA-N -1 3 312.325 3.033 20 30 DGEDHM CCCCCCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001577504626 1191905776 /nfs/dbraw/zinc/90/57/76/1191905776.db2.gz BAQOXDNNZVDFCS-UHFFFAOYSA-N -1 3 304.354 3.157 20 30 DGEDHM CCCCCCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001577504626 1191905778 /nfs/dbraw/zinc/90/57/78/1191905778.db2.gz BAQOXDNNZVDFCS-UHFFFAOYSA-N -1 3 304.354 3.157 20 30 DGEDHM C#CCCCCCCN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588345902 1192445318 /nfs/dbraw/zinc/44/53/18/1192445318.db2.gz PATCNICCJIIKBE-UHFFFAOYSA-N -1 3 309.417 3.203 20 30 DGEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1 ZINC001588381966 1192445999 /nfs/dbraw/zinc/44/59/99/1192445999.db2.gz YNQLUHFYIVKEQD-UHFFFAOYSA-N -1 3 314.352 3.466 20 30 DGEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1 ZINC001588381966 1192446002 /nfs/dbraw/zinc/44/60/02/1192446002.db2.gz YNQLUHFYIVKEQD-UHFFFAOYSA-N -1 3 314.352 3.466 20 30 DGEDHM C=C1CCC(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588462930 1192447184 /nfs/dbraw/zinc/44/71/84/1192447184.db2.gz XURMSEHXQHMMQA-LBPRGKRZSA-N -1 3 312.373 3.217 20 30 DGEDHM C=C1CCC(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588462930 1192447189 /nfs/dbraw/zinc/44/71/89/1192447189.db2.gz XURMSEHXQHMMQA-LBPRGKRZSA-N -1 3 312.373 3.217 20 30 DGEDHM C=C1CC(c2noc(C(C)(C)c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC001588456540 1192447371 /nfs/dbraw/zinc/44/73/71/1192447371.db2.gz PJZGNZSZRYWLKY-UHFFFAOYSA-N -1 3 322.372 3.009 20 30 DGEDHM C=C1CC(c2noc(C(C)(C)c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC001588456540 1192447374 /nfs/dbraw/zinc/44/73/74/1192447374.db2.gz PJZGNZSZRYWLKY-UHFFFAOYSA-N -1 3 322.372 3.009 20 30 DGEDHM C=CCOCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588689802 1192452319 /nfs/dbraw/zinc/45/23/19/1192452319.db2.gz QWSMKUIYDVTMSF-UHFFFAOYSA-N -1 3 322.368 3.115 20 30 DGEDHM C=CCOCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588689802 1192452326 /nfs/dbraw/zinc/45/23/26/1192452326.db2.gz QWSMKUIYDVTMSF-UHFFFAOYSA-N -1 3 322.368 3.115 20 30 DGEDHM C[C@@H](ON=Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590019464 1192483039 /nfs/dbraw/zinc/48/30/39/1192483039.db2.gz FCCBDCPTTSYIOH-LLVKDONJSA-N -1 3 311.320 3.118 20 30 DGEDHM C[C@@H](ON=Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590019464 1192483041 /nfs/dbraw/zinc/48/30/41/1192483041.db2.gz FCCBDCPTTSYIOH-LLVKDONJSA-N -1 3 311.320 3.118 20 30 DGEDHM CC[C@@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001590420370 1192507615 /nfs/dbraw/zinc/50/76/15/1192507615.db2.gz XISIEUFDKYATCZ-ZDUSSCGKSA-N -1 3 306.373 3.458 20 30 DGEDHM CC[C@@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001590420370 1192507626 /nfs/dbraw/zinc/50/76/26/1192507626.db2.gz XISIEUFDKYATCZ-ZDUSSCGKSA-N -1 3 306.373 3.458 20 30 DGEDHM CCCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001590592640 1192528435 /nfs/dbraw/zinc/52/84/35/1192528435.db2.gz BLKPUNMZTHGVSX-UHFFFAOYSA-N -1 3 317.393 3.174 20 30 DGEDHM CCCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001590592640 1192528439 /nfs/dbraw/zinc/52/84/39/1192528439.db2.gz BLKPUNMZTHGVSX-UHFFFAOYSA-N -1 3 317.393 3.174 20 30 DGEDHM CCCCCCCCC(=O)NOc1cccc(-c2nnn[n-]2)c1 ZINC001590593035 1192529717 /nfs/dbraw/zinc/52/97/17/1192529717.db2.gz TXOHVDFGXSLPOK-UHFFFAOYSA-N -1 3 317.393 3.027 20 30 DGEDHM CCCCCCCCC(=O)NOc1cccc(-c2nn[n-]n2)c1 ZINC001590593035 1192529721 /nfs/dbraw/zinc/52/97/21/1192529721.db2.gz TXOHVDFGXSLPOK-UHFFFAOYSA-N -1 3 317.393 3.027 20 30 DGEDHM CCc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590889256 1192554036 /nfs/dbraw/zinc/55/40/36/1192554036.db2.gz PTMUKTRDJPJJLA-ZHACJKMWSA-N -1 3 304.353 3.325 20 30 DGEDHM CCc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590889256 1192554038 /nfs/dbraw/zinc/55/40/38/1192554038.db2.gz PTMUKTRDJPJJLA-ZHACJKMWSA-N -1 3 304.353 3.325 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001591582875 1192566763 /nfs/dbraw/zinc/56/67/63/1192566763.db2.gz RMIADVMODLMTIQ-YCRREMRBSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001591582875 1192566767 /nfs/dbraw/zinc/56/67/67/1192566767.db2.gz RMIADVMODLMTIQ-YCRREMRBSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC001591906792 1192580204 /nfs/dbraw/zinc/58/02/04/1192580204.db2.gz HWYXPHPQWRKKSO-YVMONPNESA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC001591906792 1192580205 /nfs/dbraw/zinc/58/02/05/1192580205.db2.gz HWYXPHPQWRKKSO-YVMONPNESA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(C=C2Cc3cc(F)ccc3C2=O)ccc1-c1nnn[n-]1 ZINC001591959080 1192584041 /nfs/dbraw/zinc/58/40/41/1192584041.db2.gz KQJPUVJJSCKYRR-NTUHNPAUSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cc(C=C2Cc3cc(F)ccc3C2=O)ccc1-c1nn[n-]n1 ZINC001591959080 1192584045 /nfs/dbraw/zinc/58/40/45/1192584045.db2.gz KQJPUVJJSCKYRR-NTUHNPAUSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1C ZINC001592144979 1192595466 /nfs/dbraw/zinc/59/54/66/1192595466.db2.gz SMIMPVFQXPHZNW-PXNMLYILSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1C ZINC001592144979 1192595471 /nfs/dbraw/zinc/59/54/71/1192595471.db2.gz SMIMPVFQXPHZNW-PXNMLYILSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC001592167072 1192597930 /nfs/dbraw/zinc/59/79/30/1192597930.db2.gz YMYKHNAXFUGGJP-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC001592167072 1192597935 /nfs/dbraw/zinc/59/79/35/1192597935.db2.gz YMYKHNAXFUGGJP-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1ccc(Oc2c(C#N)cccc2-c2nnn[n-]2)cc1Cl ZINC001592191549 1192600223 /nfs/dbraw/zinc/60/02/23/1192600223.db2.gz VDCUCRXYLICWQO-UHFFFAOYSA-N -1 3 311.732 3.493 20 30 DGEDHM Cc1ccc(Oc2c(C#N)cccc2-c2nn[n-]n2)cc1Cl ZINC001592191549 1192600226 /nfs/dbraw/zinc/60/02/26/1192600226.db2.gz VDCUCRXYLICWQO-UHFFFAOYSA-N -1 3 311.732 3.493 20 30 DGEDHM Cc1cccc2c1CC[C@@H]2Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592244037 1192605124 /nfs/dbraw/zinc/60/51/24/1192605124.db2.gz MRAZBMJIHJLJAL-INIZCTEOSA-N -1 3 316.368 3.146 20 30 DGEDHM Cc1cccc2c1CC[C@@H]2Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592244037 1192605126 /nfs/dbraw/zinc/60/51/26/1192605126.db2.gz MRAZBMJIHJLJAL-INIZCTEOSA-N -1 3 316.368 3.146 20 30 DGEDHM N#C[C@@H](Cc1ccccc1)Sc1ccc(-c2nnn[n-]2)cc1 ZINC001592669778 1192625858 /nfs/dbraw/zinc/62/58/58/1192625858.db2.gz UGOJHCPQUCHTJY-OAHLLOKOSA-N -1 3 307.382 3.094 20 30 DGEDHM N#C[C@@H](Cc1ccccc1)Sc1ccc(-c2nn[n-]n2)cc1 ZINC001592669778 1192625861 /nfs/dbraw/zinc/62/58/61/1192625861.db2.gz UGOJHCPQUCHTJY-OAHLLOKOSA-N -1 3 307.382 3.094 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001592682132 1192626456 /nfs/dbraw/zinc/62/64/56/1192626456.db2.gz PAFLKCLDYYKUCV-ONGXEEELSA-N -1 3 302.769 3.014 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001592682132 1192626458 /nfs/dbraw/zinc/62/64/58/1192626458.db2.gz PAFLKCLDYYKUCV-ONGXEEELSA-N -1 3 302.769 3.014 20 30 DGEDHM N#Cc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1F ZINC001592693931 1192626579 /nfs/dbraw/zinc/62/65/79/1192626579.db2.gz GQEYVPLOQMHMAG-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1F ZINC001592693931 1192626583 /nfs/dbraw/zinc/62/65/83/1192626583.db2.gz GQEYVPLOQMHMAG-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592702860 1192627917 /nfs/dbraw/zinc/62/79/17/1192627917.db2.gz GMUUPXWMOMRKFM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1SCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592702860 1192627919 /nfs/dbraw/zinc/62/79/19/1192627919.db2.gz GMUUPXWMOMRKFM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM c1ccc([C@H]2CCC2N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001593570524 1192636980 /nfs/dbraw/zinc/63/69/80/1192636980.db2.gz DSIZERRXBVMBKA-OAHLLOKOSA-N -1 3 304.357 3.212 20 30 DGEDHM c1ccc([C@H]2CCC2N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001593570524 1192636983 /nfs/dbraw/zinc/63/69/83/1192636983.db2.gz DSIZERRXBVMBKA-OAHLLOKOSA-N -1 3 304.357 3.212 20 30 DGEDHM N#Cc1cncc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)c1 ZINC001596856345 1192707785 /nfs/dbraw/zinc/70/77/85/1192707785.db2.gz RWGNEPHCDVTWEX-UHFFFAOYSA-N -1 3 321.714 3.015 20 30 DGEDHM CCCCN([O-])C(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC001641868113 1194875624 /nfs/dbraw/zinc/87/56/24/1194875624.db2.gz WQDNOSQKQYRPRG-UHFFFAOYSA-N -1 3 306.387 3.450 20 30 DGEDHM Cc1cc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)cc(O)c1[O-] ZINC001331925677 1178310260 /nfs/dbraw/zinc/31/02/60/1178310260.db2.gz XKNDZDQXKCZZGC-WAYWQWQTSA-N -1 3 300.358 3.323 20 30 DGEDHM N#CC1(CNCc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001332006345 1178333438 /nfs/dbraw/zinc/33/34/38/1178333438.db2.gz ZEYKJOQETFFHDM-UHFFFAOYSA-N -1 3 315.598 3.201 20 30 DGEDHM C=CC[C@H](NCc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC001334779238 1178796014 /nfs/dbraw/zinc/79/60/14/1178796014.db2.gz KTDRVFWXQGKWDE-ZDUSSCGKSA-N -1 3 306.362 3.068 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NCc1csc(C(=O)[O-])c1 ZINC001601115774 1192919677 /nfs/dbraw/zinc/91/96/77/1192919677.db2.gz UNQMHRUHCAKKPW-HNNXBMFYSA-N -1 3 312.394 3.485 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@H](c2ccccn2)C2CCC2)C(=O)[O-])c1 ZINC001601118810 1192920071 /nfs/dbraw/zinc/92/00/71/1192920071.db2.gz LUJRJDLUFWOXOU-ZWKOTPCHSA-N -1 3 321.380 3.210 20 30 DGEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)nc1)c1cccc(F)n1 ZINC001343313243 1179254222 /nfs/dbraw/zinc/25/42/22/1179254222.db2.gz XXTXEDRFYMGPQY-SECBINFHSA-N -1 3 309.222 3.125 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccco1)c1nccn1Cc1ccccc1 ZINC001347076468 1179774220 /nfs/dbraw/zinc/77/42/20/1179774220.db2.gz RZIKIRABSCSIEO-IJDCCNJMSA-N -1 3 317.348 3.414 20 30 DGEDHM Cc1cc(C#N)cc(C)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001349703109 1179936785 /nfs/dbraw/zinc/93/67/85/1179936785.db2.gz VPTLFTGHTVAHRQ-GFCCVEGCSA-N -1 3 312.760 3.052 20 30 DGEDHM C#C[C@@H](Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1 ZINC001602691542 1192994355 /nfs/dbraw/zinc/99/43/55/1192994355.db2.gz ZDWMVENKVQKCHI-CQSZACIVSA-N -1 3 324.775 3.010 20 30 DGEDHM C#C[C@@H](Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1 ZINC001602691542 1192994357 /nfs/dbraw/zinc/99/43/57/1192994357.db2.gz ZDWMVENKVQKCHI-CQSZACIVSA-N -1 3 324.775 3.010 20 30 DGEDHM C#CC[C@@H](Cc1ccccc1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602698016 1192994715 /nfs/dbraw/zinc/99/47/15/1192994715.db2.gz XNDMGALRDVOYSQ-AWEZNQCLSA-N -1 3 321.359 3.052 20 30 DGEDHM C#CC[C@@H](Cc1ccccc1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602698016 1192994717 /nfs/dbraw/zinc/99/47/17/1192994717.db2.gz XNDMGALRDVOYSQ-AWEZNQCLSA-N -1 3 321.359 3.052 20 30 DGEDHM C#Cc1ccc(NCc2c(C)cc(-c3nnn[n-]3)cc2C)cc1 ZINC001602741338 1192995459 /nfs/dbraw/zinc/99/54/59/1192995459.db2.gz GKQHALYVVFUJSE-UHFFFAOYSA-N -1 3 303.369 3.077 20 30 DGEDHM C#Cc1ccc(NCc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC001602741338 1192995461 /nfs/dbraw/zinc/99/54/61/1192995461.db2.gz GKQHALYVVFUJSE-UHFFFAOYSA-N -1 3 303.369 3.077 20 30 DGEDHM C=CCCCC(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001602834253 1192999163 /nfs/dbraw/zinc/99/91/63/1192999163.db2.gz MPLIUQKPJCJWFM-UHFFFAOYSA-N -1 3 307.357 3.315 20 30 DGEDHM C=CCCCC(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001602834253 1192999165 /nfs/dbraw/zinc/99/91/65/1192999165.db2.gz MPLIUQKPJCJWFM-UHFFFAOYSA-N -1 3 307.357 3.315 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001602769575 1192996995 /nfs/dbraw/zinc/99/69/95/1192996995.db2.gz AGHAGPSZJQQXQT-UHFFFAOYSA-N -1 3 319.368 3.461 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001602769575 1192996996 /nfs/dbraw/zinc/99/69/96/1192996996.db2.gz AGHAGPSZJQQXQT-UHFFFAOYSA-N -1 3 319.368 3.461 20 30 DGEDHM C=C1CC(C)(c2noc(-c3c(C)cc(-c4nnn[n-]4)cc3C)n2)C1 ZINC001602773057 1192997018 /nfs/dbraw/zinc/99/70/18/1192997018.db2.gz KIRFSKJVLFDMOF-UHFFFAOYSA-N -1 3 322.372 3.141 20 30 DGEDHM C=C1CC(C)(c2noc(-c3c(C)cc(-c4nn[n-]n4)cc3C)n2)C1 ZINC001602773057 1192997019 /nfs/dbraw/zinc/99/70/19/1192997019.db2.gz KIRFSKJVLFDMOF-UHFFFAOYSA-N -1 3 322.372 3.141 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602795942 1192998192 /nfs/dbraw/zinc/99/81/92/1192998192.db2.gz XFMVJJYZLSDELE-BZNIZROVSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602795942 1192998195 /nfs/dbraw/zinc/99/81/95/1192998195.db2.gz XFMVJJYZLSDELE-BZNIZROVSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001602827118 1192998566 /nfs/dbraw/zinc/99/85/66/1192998566.db2.gz PSJGRXIXIUEFOH-UHFFFAOYSA-N -1 3 317.418 3.057 20 30 DGEDHM C=CCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001602827118 1192998569 /nfs/dbraw/zinc/99/85/69/1192998569.db2.gz PSJGRXIXIUEFOH-UHFFFAOYSA-N -1 3 317.418 3.057 20 30 DGEDHM C=C[C@@H](N[C@@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001602819457 1192998846 /nfs/dbraw/zinc/99/88/46/1192998846.db2.gz WIXBKVRZMMBXRE-OIBJUYFYSA-N -1 3 305.708 3.231 20 30 DGEDHM CC(=NOC1CCCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001602912484 1193001878 /nfs/dbraw/zinc/00/18/78/1193001878.db2.gz RHZJPPMUVQMHOY-UHFFFAOYSA-N -1 3 305.769 3.203 20 30 DGEDHM CC(=NOC1CCCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602912484 1193001881 /nfs/dbraw/zinc/00/18/81/1193001881.db2.gz RHZJPPMUVQMHOY-UHFFFAOYSA-N -1 3 305.769 3.203 20 30 DGEDHM C=CCOc1cccc(CNCc2ccc(CC(=O)[O-])cc2)c1 ZINC001602921646 1193002530 /nfs/dbraw/zinc/00/25/30/1193002530.db2.gz IIQHWNRYOVUMRB-UHFFFAOYSA-N -1 3 311.381 3.168 20 30 DGEDHM CC(C)CC1CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001603271569 1193013319 /nfs/dbraw/zinc/01/33/19/1193013319.db2.gz ZCUAWYHBRGJNHH-UHFFFAOYSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)CC1CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001603271569 1193013322 /nfs/dbraw/zinc/01/33/22/1193013322.db2.gz ZCUAWYHBRGJNHH-UHFFFAOYSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)CCCCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001603275964 1193013978 /nfs/dbraw/zinc/01/39/78/1193013978.db2.gz AWCWZCMCUZQMJU-UHFFFAOYSA-N -1 3 307.789 3.139 20 30 DGEDHM CC(C)CCCCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001603275964 1193013980 /nfs/dbraw/zinc/01/39/80/1193013980.db2.gz AWCWZCMCUZQMJU-UHFFFAOYSA-N -1 3 307.789 3.139 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603754842 1193029713 /nfs/dbraw/zinc/02/97/13/1193029713.db2.gz GEEYGIFFIIJXSL-LFIBNONCSA-N -1 3 316.364 3.424 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603754842 1193029715 /nfs/dbraw/zinc/02/97/15/1193029715.db2.gz GEEYGIFFIIJXSL-LFIBNONCSA-N -1 3 316.364 3.424 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603754844 1193029912 /nfs/dbraw/zinc/02/99/12/1193029912.db2.gz GEEYGIFFIIJXSL-WJDWOHSUSA-N -1 3 316.364 3.424 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603754844 1193029915 /nfs/dbraw/zinc/02/99/15/1193029915.db2.gz GEEYGIFFIIJXSL-WJDWOHSUSA-N -1 3 316.364 3.424 20 30 DGEDHM C[C@H]1C[C@H]1c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001603869869 1193036115 /nfs/dbraw/zinc/03/61/15/1193036115.db2.gz AMLFCJJAFDHZJN-IINYFYTJSA-N -1 3 308.345 3.029 20 30 DGEDHM CCC#C[C@H](C)Sc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001603961310 1193040608 /nfs/dbraw/zinc/04/06/08/1193040608.db2.gz AXVVNVDUDSBPKZ-NSHDSACASA-N -1 3 313.430 3.035 20 30 DGEDHM CCC#C[C@H](C)Sc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001603961310 1193040606 /nfs/dbraw/zinc/04/06/06/1193040606.db2.gz AXVVNVDUDSBPKZ-NSHDSACASA-N -1 3 313.430 3.035 20 30 DGEDHM CC[C@@H]1c2ccccc2CN1c1c(C#N)cccc1-c1nnn[n-]1 ZINC001604115260 1193051946 /nfs/dbraw/zinc/05/19/46/1193051946.db2.gz DIBBQIKNGLDIIM-MRXNPFEDSA-N -1 3 316.368 3.210 20 30 DGEDHM CC[C@@H]1c2ccccc2CN1c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604115260 1193051947 /nfs/dbraw/zinc/05/19/47/1193051947.db2.gz DIBBQIKNGLDIIM-MRXNPFEDSA-N -1 3 316.368 3.210 20 30 DGEDHM C=C(C)Cc1cccc(-c2nnc(N3CC=CCC3)n2C)c1[O-] ZINC001355747020 1181092706 /nfs/dbraw/zinc/09/27/06/1181092706.db2.gz ZGBDRNCMZXHSIW-UHFFFAOYSA-N -1 3 310.401 3.073 20 30 DGEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCC(C)(C)C=C)c1 ZINC001455476477 1182370500 /nfs/dbraw/zinc/37/05/00/1182370500.db2.gz LACWXZMGTNHESR-UHFFFAOYSA-N -1 3 316.401 3.239 20 30 DGEDHM COc1ccc(F)cc1CC(=O)N([O-])Cc1ccccc1Cl ZINC001457995781 1182488639 /nfs/dbraw/zinc/48/86/39/1182488639.db2.gz WEYDJLQNASKQTE-UHFFFAOYSA-N -1 3 323.751 3.448 20 30 DGEDHM O=C(CCc1ncc[nH]1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457997107 1182488819 /nfs/dbraw/zinc/48/88/19/1182488819.db2.gz RUKAUFHXQZMCOK-UHFFFAOYSA-N -1 3 314.172 3.067 20 30 DGEDHM O=C(C(=O)N([O-])Cc1cccc2ccccc21)c1ccc(O)cc1 ZINC001458016400 1182490388 /nfs/dbraw/zinc/49/03/88/1182490388.db2.gz MAFMTKICWFZFMU-UHFFFAOYSA-N -1 3 321.332 3.146 20 30 DGEDHM Cl/C=C\CON=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001606185868 1193193352 /nfs/dbraw/zinc/19/33/52/1193193352.db2.gz YGKRVUHXWVGCDN-JHYRMKGASA-N -1 3 317.780 3.066 20 30 DGEDHM Cl/C=C\CON=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001606185868 1193193353 /nfs/dbraw/zinc/19/33/53/1193193353.db2.gz YGKRVUHXWVGCDN-JHYRMKGASA-N -1 3 317.780 3.066 20 30 DGEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC001464055471 1183066362 /nfs/dbraw/zinc/06/63/62/1183066362.db2.gz CABCRYWOXBXLMU-NEPJUHHUSA-N -1 3 314.476 3.119 20 30 DGEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001606481899 1193199893 /nfs/dbraw/zinc/19/98/93/1193199893.db2.gz LBLUYCUCZBLKGV-TWGQIWQCSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001606481899 1193199897 /nfs/dbraw/zinc/19/98/97/1193199897.db2.gz LBLUYCUCZBLKGV-TWGQIWQCSA-N -1 3 310.744 3.416 20 30 DGEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cccnc1Cl ZINC001464437256 1183092525 /nfs/dbraw/zinc/09/25/25/1183092525.db2.gz YHQCQWCGFFWMMA-UHFFFAOYSA-N -1 3 302.827 3.006 20 30 DGEDHM CCOc1nc(C)ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001472619628 1183657040 /nfs/dbraw/zinc/65/70/40/1183657040.db2.gz BPWIUIJSZZFIPA-UHFFFAOYSA-N -1 3 320.776 3.474 20 30 DGEDHM COC(=O)C[C@H](C)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC001472622668 1183658164 /nfs/dbraw/zinc/65/81/64/1183658164.db2.gz MRRRCUPJDXPZRZ-CYBMUJFWSA-N -1 3 315.369 3.147 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001474972975 1183983199 /nfs/dbraw/zinc/98/31/99/1183983199.db2.gz UDXKPZQXFRBFBI-LLVKDONJSA-N -1 3 308.428 3.053 20 30 DGEDHM Cc1ccc(CNCc2cc(C(=O)[O-])c(C(C)C)[nH]2)cc1C#N ZINC001607781969 1193256873 /nfs/dbraw/zinc/25/68/73/1193256873.db2.gz CPVHGOQRXGJMNN-UHFFFAOYSA-N -1 3 311.385 3.306 20 30 DGEDHM CC(=NNc1ccccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC001609061226 1193322373 /nfs/dbraw/zinc/32/23/73/1193322373.db2.gz NMWVOOSGSOTOAY-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(=NNc1ccccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC001609061226 1193322376 /nfs/dbraw/zinc/32/23/76/1193322376.db2.gz NMWVOOSGSOTOAY-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CCCCCCCC(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001609208975 1193331632 /nfs/dbraw/zinc/33/16/32/1193331632.db2.gz FMRKKEWPEDKDHV-UHFFFAOYSA-N -1 3 318.377 3.141 20 30 DGEDHM CCCCCCCC(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001609208975 1193331634 /nfs/dbraw/zinc/33/16/34/1193331634.db2.gz FMRKKEWPEDKDHV-UHFFFAOYSA-N -1 3 318.377 3.141 20 30 DGEDHM C=C[C@@H](NCc1ccccc1Oc1cccc(F)c1)C(=O)[O-] ZINC001609272359 1193332870 /nfs/dbraw/zinc/33/28/70/1193332870.db2.gz NWGHXXQDVJVMNP-OAHLLOKOSA-N -1 3 301.317 3.347 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)ccc1CSc1ccccc1C#N ZINC001609388751 1193334901 /nfs/dbraw/zinc/33/49/01/1193334901.db2.gz KHNYOJFYTILVEF-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)ccc1CSc1ccccc1C#N ZINC001609388751 1193334904 /nfs/dbraw/zinc/33/49/04/1193334904.db2.gz KHNYOJFYTILVEF-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001609417554 1193337261 /nfs/dbraw/zinc/33/72/61/1193337261.db2.gz ZMYGQDAGILYGMF-KTKRTIGZSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001609417554 1193337262 /nfs/dbraw/zinc/33/72/62/1193337262.db2.gz ZMYGQDAGILYGMF-KTKRTIGZSA-N -1 3 308.316 3.210 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc2scnc2c1 ZINC001609500045 1193343435 /nfs/dbraw/zinc/34/34/35/1193343435.db2.gz WUZCZQJICIGZCE-UHFFFAOYSA-N -1 3 319.353 3.092 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc2scnc2c1 ZINC001609500045 1193343437 /nfs/dbraw/zinc/34/34/37/1193343437.db2.gz WUZCZQJICIGZCE-UHFFFAOYSA-N -1 3 319.353 3.092 20 30 DGEDHM O=C(C=Cc1scnc1C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609519647 1193343963 /nfs/dbraw/zinc/34/39/63/1193343963.db2.gz GBZRSHGNDSBMFW-SREVYHEPSA-N -1 3 323.381 3.097 20 30 DGEDHM O=C(C=Cc1scnc1C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609519647 1193343968 /nfs/dbraw/zinc/34/39/68/1193343968.db2.gz GBZRSHGNDSBMFW-SREVYHEPSA-N -1 3 323.381 3.097 20 30 DGEDHM N#Cc1cccc([C@@H](NCc2cccc(C(F)F)c2)C(=O)[O-])c1 ZINC001610630491 1193401833 /nfs/dbraw/zinc/40/18/33/1193401833.db2.gz QZGMLXPDVPQWQE-OAHLLOKOSA-N -1 3 316.307 3.411 20 30 DGEDHM C[C@@H](C(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC001611650531 1193439435 /nfs/dbraw/zinc/43/94/35/1193439435.db2.gz AUKDCFOAIIQDBD-SNVBAGLBSA-N -1 3 313.781 3.036 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)ccc2cncn21 ZINC001515115264 1186745193 /nfs/dbraw/zinc/74/51/93/1186745193.db2.gz SSIMMMYXWVFSEI-AWEZNQCLSA-N -1 3 316.320 3.274 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1sc(C(C)(C)C)nc1C ZINC001517064330 1186800740 /nfs/dbraw/zinc/80/07/40/1186800740.db2.gz JINOOCQNCIQVCD-LLVKDONJSA-N -1 3 316.430 3.456 20 30 DGEDHM C=CC[C@@H](C(=O)[O-])N1CCc2cc(Br)cc(C)c2C1 ZINC001602836452 1186815181 /nfs/dbraw/zinc/81/51/81/1186815181.db2.gz SHZKIMHPWMNGBK-AWEZNQCLSA-N -1 3 324.218 3.145 20 30 DGEDHM N#Cc1ccc(F)c([N-]C(=O)c2ncsc2C(F)(F)F)c1 ZINC001528455668 1187491253 /nfs/dbraw/zinc/49/12/53/1187491253.db2.gz BWLATIWVMIAXIX-UHFFFAOYSA-N -1 3 315.251 3.425 20 30 DGEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2occc2Br)n1 ZINC001617236139 1193562565 /nfs/dbraw/zinc/56/25/65/1193562565.db2.gz UCEGJISBQHNPRI-UHFFFAOYSA-N -1 3 320.146 3.178 20 30 DGEDHM COc1ccc(NC(=O)/C=C/C(=O)c2ccc(C)cc2)c([O-])c1 ZINC001556226316 1188990882 /nfs/dbraw/zinc/99/08/82/1188990882.db2.gz MJQBPNSFIRJNOM-MDZDMXLPSA-N -1 3 311.337 3.087 20 30 DGEDHM O=C(Cc1cccnc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001559031184 1189163730 /nfs/dbraw/zinc/16/37/30/1189163730.db2.gz VVRVWRBPHIQKMB-UHFFFAOYSA-N -1 3 311.168 3.349 20 30 DGEDHM O=C(c1cn2c(n1)CCC2)N([O-])Cc1cccc2ccccc21 ZINC001559036326 1189164786 /nfs/dbraw/zinc/16/47/86/1189164786.db2.gz DGLIRWDPSKFLLY-UHFFFAOYSA-N -1 3 307.353 3.014 20 30 DGEDHM CCCCN([O-])C(=O)c1nn(-c2ccccc2C)c2c1CCC2 ZINC001559035214 1189164808 /nfs/dbraw/zinc/16/48/08/1189164808.db2.gz HLHYWIBLSZXBAP-UHFFFAOYSA-N -1 3 313.401 3.301 20 30 DGEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1OC ZINC001570278960 1190835831 /nfs/dbraw/zinc/83/58/31/1190835831.db2.gz GMNXIJBYCKJYSS-OAHLLOKOSA-N -1 3 311.381 3.318 20 30 DGEDHM C#Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC001625560455 1194058111 /nfs/dbraw/zinc/05/81/11/1194058111.db2.gz YJWUHUREPIFFQI-UHFFFAOYSA-N -1 3 316.154 3.388 20 30 DGEDHM COc1ccccc1[C@H](C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC001631983470 1194365492 /nfs/dbraw/zinc/36/54/92/1194365492.db2.gz WAUJTMKNMORMQG-CYBMUJFWSA-N -1 3 310.353 3.171 20 30 DGEDHM CC(C)c1nsc([N-]C(=O)c2cc(F)c(C#N)c(F)c2)n1 ZINC001633944025 1194465993 /nfs/dbraw/zinc/46/59/93/1194465993.db2.gz WQLMLQGQRKHNSZ-UHFFFAOYSA-N -1 3 308.313 3.064 20 30 DGEDHM CC(=O)c1ccc(C(=O)Nc2ccc(CCC#N)cc2)cc1[O-] ZINC001638689672 1194732372 /nfs/dbraw/zinc/73/23/72/1194732372.db2.gz DTSBWTVVIAZOMR-UHFFFAOYSA-N -1 3 308.337 3.303 20 30 DGEDHM CCCCN([O-])C(=O)c1nc(Br)sc1C1CC1 ZINC001639071896 1194750021 /nfs/dbraw/zinc/75/00/21/1194750021.db2.gz LFNDSFNHASFVJP-UHFFFAOYSA-N -1 3 319.224 3.415 20 30 DGEDHM N#Cc1cnccc1SCc1noc(-c2ccccc2[O-])n1 ZINC001641269388 1194846223 /nfs/dbraw/zinc/84/62/23/1194846223.db2.gz VHNHRJPQNQTVCQ-UHFFFAOYSA-N -1 3 310.338 3.001 20 30 DGEDHM CCCCCCN([O-])C(=O)c1sc(N(C)C)nc1Cl ZINC001641867436 1194875718 /nfs/dbraw/zinc/87/57/18/1194875718.db2.gz GGABOTZXZKISOL-UHFFFAOYSA-N -1 3 305.831 3.274 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC001641867349 1194875870 /nfs/dbraw/zinc/87/58/70/1194875870.db2.gz CGFUFCMYMLWIAN-SNVBAGLBSA-N -1 3 307.316 3.261 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC001641867348 1194876166 /nfs/dbraw/zinc/87/61/66/1194876166.db2.gz CGFUFCMYMLWIAN-JTQLQIEISA-N -1 3 307.316 3.261 20 30 DGEDHM COc1ccc2c(c1)[C@H](C(=O)N([O-])Cc1ccc(F)cc1)CC2 ZINC001641878142 1194877301 /nfs/dbraw/zinc/87/73/01/1194877301.db2.gz WIVKAPNRSGCELZ-MRXNPFEDSA-N -1 3 315.344 3.282 20 30 DGEDHM O=C([C@@H]1C[C@H]1c1ccncc1)N([O-])Cc1ccccc1Cl ZINC001651225905 1195428861 /nfs/dbraw/zinc/42/88/61/1195428861.db2.gz CSOHHADOTNADNS-UONOGXRCSA-N -1 3 302.761 3.257 20 30 DGEDHM Cc1cc(C(=O)N([O-])CCCCc2ccccc2)ncc1C#N ZINC001651226859 1195428867 /nfs/dbraw/zinc/42/88/67/1195428867.db2.gz AONAJVFMIDGGBP-UHFFFAOYSA-N -1 3 309.369 3.116 20 30 DGEDHM CCCCCCN([O-])C(=O)c1c(C)onc1-c1ccncc1 ZINC001651228230 1195429341 /nfs/dbraw/zinc/42/93/41/1195429341.db2.gz ZPKPXJIWPYKYKP-UHFFFAOYSA-N -1 3 303.362 3.457 20 30 DGEDHM COC(=O)c1cnc(SCc2cc(Cl)cc(C#N)c2)[n-]1 ZINC001651933963 1195525528 /nfs/dbraw/zinc/52/55/28/1195525528.db2.gz VYPRJRURMGNOIC-UHFFFAOYSA-N -1 3 307.762 3.014 20 30 DGEDHM CCCCCCC[C@@H](C)C[N-]S(=O)(=O)c1cscn1 ZINC001659661846 1196403639 /nfs/dbraw/zinc/40/36/39/1196403639.db2.gz IKNMGCIGTZSSFS-GFCCVEGCSA-N -1 3 304.481 3.418 20 30 DGEDHM C[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1cccc(C#N)c1 ZINC001660106432 1196446052 /nfs/dbraw/zinc/44/60/52/1196446052.db2.gz FSNVWRGNYDTVIS-LBPRGKRZSA-N -1 3 320.352 3.165 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001669398625 1197452833 /nfs/dbraw/zinc/45/28/33/1197452833.db2.gz MSEYQLSIIHUBNJ-UHFFFAOYSA-N -1 3 305.802 3.360 20 30 DGEDHM C#CCN(Cc1ccccc1O[C@@H](C)C(=O)[O-])C1CCCCC1 ZINC001588471185 983504859 /nfs/dbraw/zinc/50/48/59/983504859.db2.gz DCOKTOGVNWVAQK-HNNXBMFYSA-N -1 3 315.413 3.306 20 30 DGEDHM C=CCN(CCOc1ccccc1C(=O)[O-])CCc1ccco1 ZINC001588828746 984309180 /nfs/dbraw/zinc/30/91/80/984309180.db2.gz MGYXCXMSOBXZKC-UHFFFAOYSA-N -1 3 315.369 3.087 20 30 DGEDHM CC(C)(CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C(=O)[O-] ZINC001590670719 990374181 /nfs/dbraw/zinc/37/41/81/990374181.db2.gz IRFCQTMCSXPTEU-JKSUJKDBSA-N -1 3 300.402 3.259 20 30 DGEDHM C[C@@H](CC(=O)c1ccccc1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001182169963 1083639868 /nfs/dbraw/zinc/63/98/68/1083639868.db2.gz VVTCLANERCMKDP-LBPRGKRZSA-N -1 3 308.337 3.111 20 30 DGEDHM O=C(c1cncs1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235754 1084133494 /nfs/dbraw/zinc/13/34/94/1084133494.db2.gz OARFSYOGVQKPOH-UHFFFAOYSA-N -1 3 303.170 3.482 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC001184305618 1084143521 /nfs/dbraw/zinc/14/35/21/1084143521.db2.gz NWUWYGLVYNTTRX-OLZOCXBDSA-N -1 3 316.442 3.334 20 30 DGEDHM O=C([C@H]1CCc2cccc(O)c21)N([O-])Cc1ccccc1Cl ZINC001184283563 1084152221 /nfs/dbraw/zinc/15/22/21/1084152221.db2.gz NPLOVPSHKSGQPJ-ZDUSSCGKSA-N -1 3 317.772 3.493 20 30 DGEDHM Cc1ccn2cc(C(=O)N([O-])CCCCc3ccccc3)nc2c1 ZINC001184293089 1084155947 /nfs/dbraw/zinc/15/59/47/1084155947.db2.gz DRMRDRBTNJTFOF-UHFFFAOYSA-N -1 3 323.396 3.497 20 30 DGEDHM C#Cc1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1 ZINC001184437483 1084175893 /nfs/dbraw/zinc/17/58/93/1084175893.db2.gz XSHLHFKIDHIXDC-UHFFFAOYSA-N -1 3 302.333 3.070 20 30 DGEDHM N#Cc1cc(F)c([N-]C(=O)c2cnc(C3CC3)o2)c(Cl)c1 ZINC001185215396 1084383030 /nfs/dbraw/zinc/38/30/30/1084383030.db2.gz LSQXSSVKZRWTQD-UHFFFAOYSA-N -1 3 305.696 3.468 20 30 DGEDHM N#Cc1cc(NCc2ncccc2[O-])nc2ccc(Cl)cc12 ZINC001158775489 1088025029 /nfs/dbraw/zinc/02/50/29/1088025029.db2.gz AYXIFOFCSWYCHE-UHFFFAOYSA-N -1 3 310.744 3.473 20 30 DGEDHM N#Cc1ccc(NCC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001161801689 1089408942 /nfs/dbraw/zinc/40/89/42/1089408942.db2.gz AQHYYNKVOKSWJE-UHFFFAOYSA-N -1 3 315.760 3.042 20 30 DGEDHM O=C(c1ncnc2ccsc21)N([O-])Cc1ccccc1Cl ZINC001161807162 1089414350 /nfs/dbraw/zinc/41/43/50/1089414350.db2.gz DNEIROFGGMHJNG-UHFFFAOYSA-N -1 3 319.773 3.376 20 30 DGEDHM O=C(c1n[nH]c2ccccc21)N([O-])CCCCc1ccccc1 ZINC001161808105 1089415499 /nfs/dbraw/zinc/41/54/99/1089415499.db2.gz WBSVOJLCENUHKS-UHFFFAOYSA-N -1 3 309.369 3.417 20 30 DGEDHM N#Cc1cccc(CC(=O)N([O-])CCCCc2ccccc2)c1 ZINC001161819245 1089421750 /nfs/dbraw/zinc/42/17/50/1089421750.db2.gz PYTXPJUJUWVANA-UHFFFAOYSA-N -1 3 308.381 3.341 20 30 DGEDHM CCCCN([O-])C(=O)Cc1cccc(OCC(F)(F)F)c1 ZINC001161831840 1089430025 /nfs/dbraw/zinc/43/00/25/1089430025.db2.gz FQIAJLOHVLXARK-UHFFFAOYSA-N -1 3 305.296 3.188 20 30 DGEDHM C=CCOc1cc(C)nc([N-][C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001157684499 1090072413 /nfs/dbraw/zinc/07/24/13/1090072413.db2.gz NYTKVOUUTPPVHN-ZDUSSCGKSA-N -1 3 324.306 3.460 20 30 DGEDHM N#Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001157724651 1090088767 /nfs/dbraw/zinc/08/87/67/1090088767.db2.gz RAYQDIQJICBJHS-UHFFFAOYSA-N -1 3 310.744 3.473 20 30 DGEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc(OC)c1 ZINC000213714033 1090549653 /nfs/dbraw/zinc/54/96/53/1090549653.db2.gz RHKQHPRPUNYDQG-XQRVVYSFSA-N -1 3 314.337 3.314 20 30 DGEDHM COC(=O)c1ccc(Nc2cc(F)cc(F)c2[O-])c(C#N)c1 ZINC001212493095 1090947794 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C#Cc1nc(Br)cnc1Nc1ccc(Cl)c([O-])c1 ZINC001212589501 1092651094 /nfs/dbraw/zinc/65/10/94/1092651094.db2.gz OSMLEOINNNVKMD-UHFFFAOYSA-N -1 3 324.565 3.323 20 30 DGEDHM N#Cc1cc(Nc2cc(=O)[n-]n2C2CCCC2)cc([N+](=O)[O-])c1 ZINC001211327523 1093460070 /nfs/dbraw/zinc/46/00/70/1093460070.db2.gz SUDNLGLGCIDBSS-UHFFFAOYSA-N -1 3 313.317 3.227 20 30 DGEDHM N#Cc1ccc(Nc2ccc([O-])c(Br)c2)c(N)c1 ZINC001213358050 1093571689 /nfs/dbraw/zinc/57/16/89/1093571689.db2.gz DOSPVYMIZKJOPP-UHFFFAOYSA-N -1 3 304.147 3.352 20 30 DGEDHM N#Cc1ccc(Nc2cc(Br)cc(F)c2[O-])c(N)c1 ZINC001213365539 1093573300 /nfs/dbraw/zinc/57/33/00/1093573300.db2.gz SPFLEKMGTSYRDR-UHFFFAOYSA-N -1 3 322.137 3.491 20 30 DGEDHM N#Cc1ccc([O-])c(Nc2cc(OC(F)(F)F)ccc2N)c1 ZINC001216018383 1094107320 /nfs/dbraw/zinc/10/73/20/1094107320.db2.gz OEWDBSZRNURRFY-UHFFFAOYSA-N -1 3 309.247 3.488 20 30 DGEDHM CN(C)C(=O)c1cccc(Nc2cccc(Cl)c2C#N)c1[O-] ZINC001216128536 1094130710 /nfs/dbraw/zinc/13/07/10/1094130710.db2.gz FFGLJOJJEZSUJF-UHFFFAOYSA-N -1 3 315.760 3.363 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2nccn2C)cnn1C(CC)CC ZINC001122519484 1094997585 /nfs/dbraw/zinc/99/75/85/1094997585.db2.gz XSHHDKFGDYRTIE-ZDUSSCGKSA-N -1 3 313.405 3.030 20 30 DGEDHM CC(C)c1cc(C(=O)[N-]c2nc3c(cc2C#N)C[C@H](C)CC3)on1 ZINC001337760017 1095085869 /nfs/dbraw/zinc/08/58/69/1095085869.db2.gz ZJFDGDLWDPHVSW-LLVKDONJSA-N -1 3 324.384 3.442 20 30 DGEDHM CCCN(CCC#N)Cc1cc(Br)c(F)cc1[O-] ZINC001144299558 1095592579 /nfs/dbraw/zinc/59/25/79/1095592579.db2.gz AHDCJSNMRWBZMD-UHFFFAOYSA-N -1 3 315.186 3.419 20 30 DGEDHM C=C[C@@H](C)O[C@@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223398384 1095957758 /nfs/dbraw/zinc/95/77/58/1095957758.db2.gz BJTKHMJVCRWDDH-XLKFXECMSA-N -1 3 312.728 3.259 20 30 DGEDHM C=C[C@@H](C)O[C@@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223398384 1095957766 /nfs/dbraw/zinc/95/77/66/1095957766.db2.gz BJTKHMJVCRWDDH-XLKFXECMSA-N -1 3 312.728 3.259 20 30 DGEDHM [O-]/N=C(\O[C@@H]1CCCc2c(Cl)ccnc21)c1ccccn1 ZINC001223982608 1096110035 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Cc1cc(=O)oc2cc([O-])c(O[C@H](C)C#C[Si](C)(C)C)cc12 ZINC001226532139 1096715097 /nfs/dbraw/zinc/71/50/97/1096715097.db2.gz OLJLMQXNDVYTNZ-GFCCVEGCSA-N -1 3 316.429 3.455 20 30 DGEDHM C#C[C@H](CC(C)C)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228079685 1097047133 /nfs/dbraw/zinc/04/71/33/1097047133.db2.gz QJYVOTYETOJGSV-GFCCVEGCSA-N -1 3 304.342 3.104 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nnc(-c3cccnc3)[n-]2)O1 ZINC001228697258 1097170531 /nfs/dbraw/zinc/17/05/31/1097170531.db2.gz GRIDGHPSHDYPHF-DYVFJYSZSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc(-c3cccnc3)n[n-]2)O1 ZINC001228697258 1097170535 /nfs/dbraw/zinc/17/05/35/1097170535.db2.gz GRIDGHPSHDYPHF-DYVFJYSZSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2n[n-]c(-c3cccnc3)n2)O1 ZINC001228697258 1097170538 /nfs/dbraw/zinc/17/05/38/1097170538.db2.gz GRIDGHPSHDYPHF-DYVFJYSZSA-N -1 3 314.389 3.148 20 30 DGEDHM CC[C@@H](C#Cc1ccccc1)Oc1nnc(-c2cccnc2)[n-]1 ZINC001228698139 1097171129 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/nfs/dbraw/zinc/23/61/14/278236114.db2.gz GCJJYVRTHSXNDA-ZDUSSCGKSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000070431956 431248931 /nfs/dbraw/zinc/24/89/31/431248931.db2.gz NJEBMIGYRJBXGC-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM N#CC1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCCCC1 ZINC000113428877 431348492 /nfs/dbraw/zinc/34/84/92/431348492.db2.gz BWYOSVXARRCDTJ-UHFFFAOYSA-N -1 3 313.336 3.023 20 30 DGEDHM C[C@H](/N=C/c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000122897515 431847544 /nfs/dbraw/zinc/84/75/44/431847544.db2.gz UZXZUJBPDBMSTA-JSJZUPIVSA-N -1 3 312.207 3.389 20 30 DGEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000040365781 431856506 /nfs/dbraw/zinc/85/65/06/431856506.db2.gz SGTAXQARAKBJCP-JTQLQIEISA-N -1 3 318.851 3.152 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(Cn3cccn3)cc2)n1 ZINC000041517126 431859275 /nfs/dbraw/zinc/85/92/75/431859275.db2.gz OJWPICWNHHBOFM-OAHLLOKOSA-N -1 3 322.393 3.186 20 30 DGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000089495701 431868313 /nfs/dbraw/zinc/86/83/13/431868313.db2.gz KTGGDCQSSZPQEM-UHFFFAOYSA-N -1 3 312.410 3.275 20 30 DGEDHM Cc1nn(-c2ccccc2)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000049456934 431940255 /nfs/dbraw/zinc/94/02/55/431940255.db2.gz MHEOZLQIYRPTNH-MRXNPFEDSA-N -1 3 316.364 3.374 20 30 DGEDHM Cc1nnsc1C(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000191412903 432262487 /nfs/dbraw/zinc/26/24/87/432262487.db2.gz NKBHYSHSWGBHSX-SECBINFHSA-N -1 3 318.427 3.351 20 30 DGEDHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000192465438 432377780 /nfs/dbraw/zinc/37/77/80/432377780.db2.gz LMAHFFJLXJQODZ-CYBMUJFWSA-N -1 3 324.380 3.496 20 30 DGEDHM [O-]c1ccc(Cl)cc1C=NNC(=S)Nc1ccccc1 ZINC000254758960 432404421 /nfs/dbraw/zinc/40/44/21/432404421.db2.gz OKICBAFRELMEGQ-UHFFFAOYSA-N -1 3 305.790 3.366 20 30 DGEDHM N#CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000271222489 432358718 /nfs/dbraw/zinc/35/87/18/432358718.db2.gz GHRAOCVPWJRVIV-UHFFFAOYSA-N -1 3 306.365 3.111 20 30 DGEDHM COCCN(Cc1ccc(C#N)cc1)Cc1cc([O-])cc(F)c1 ZINC000186187934 432566332 /nfs/dbraw/zinc/56/63/32/432566332.db2.gz SVRCWWSMYTVCNM-UHFFFAOYSA-N -1 3 314.360 3.052 20 30 DGEDHM CNC(=O)C1CCC(/N=C/c2c([O-])ccc3ccccc32)CC1 ZINC000273264266 432576240 /nfs/dbraw/zinc/57/62/40/432576240.db2.gz YNGNMRSMFUUCHA-CIAFOILYSA-N -1 3 310.397 3.269 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CCCc2c[nH]c3ccccc23)c1[O-] ZINC000264516986 432654341 /nfs/dbraw/zinc/65/43/41/432654341.db2.gz KKFKKCAJRWCKSQ-RGVLZGJSSA-N -1 3 323.396 3.121 20 30 DGEDHM CCCOc1ccc(/C=N/C[C@@](C)(O)c2ccco2)c([O-])c1 ZINC000266030125 432750334 /nfs/dbraw/zinc/75/03/34/432750334.db2.gz VXPZWHDNDJTIPD-AUUUKSDWSA-N -1 3 303.358 3.101 20 30 DGEDHM Cc1cc(/N=C/c2c([O-])c(C)ncc2CO)ccc1OC(C)C ZINC000265993900 432750751 /nfs/dbraw/zinc/75/07/51/432750751.db2.gz MXVUEODLWFXDNI-AWQFTUOYSA-N -1 3 314.385 3.434 20 30 DGEDHM C=CCCN(C)Cc1ccc(OC)c([O-])c1Br ZINC000276144634 432775709 /nfs/dbraw/zinc/77/57/09/432775709.db2.gz OAAYSLHBPAHGQX-UHFFFAOYSA-N -1 3 300.196 3.171 20 30 DGEDHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230338492 432728111 /nfs/dbraw/zinc/72/81/11/432728111.db2.gz ABJWOBWLIVXPCS-UHFFFAOYSA-N -1 3 300.449 3.113 20 30 DGEDHM C=CCSCCNC(=O)c1cc([O-])ccc1C(F)(F)F ZINC000276455611 432809235 /nfs/dbraw/zinc/80/92/35/432809235.db2.gz OCYOYXGQTAXRED-UHFFFAOYSA-N -1 3 305.321 3.060 20 30 DGEDHM CC1(C)CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@H]1C#N ZINC000277562843 432860963 /nfs/dbraw/zinc/86/09/63/432860963.db2.gz POGBEIZIIYLWTC-INIZCTEOSA-N -1 3 309.369 3.095 20 30 DGEDHM CCc1cccc2c1OCC[C@H]2NC(=O)c1csc(=O)[n-]1 ZINC000329968815 432885334 /nfs/dbraw/zinc/88/53/34/432885334.db2.gz WXMYAFASVDDNII-LLVKDONJSA-N -1 3 304.371 3.240 20 30 DGEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000412179180 433086646 /nfs/dbraw/zinc/08/66/46/433086646.db2.gz UNRCJADASSGDPB-UHFFFAOYSA-N -1 3 316.401 3.387 20 30 DGEDHM CO[C@](C)(C/N=C/c1cc(Br)ccc1[O-])C1CC1 ZINC000290951202 433212849 /nfs/dbraw/zinc/21/28/49/433212849.db2.gz MAGYRVCZZQDDDG-UVYNJXETSA-N -1 3 312.207 3.389 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)c1 ZINC000361509700 433216664 /nfs/dbraw/zinc/21/66/64/433216664.db2.gz DMTYVGPGLSHVAZ-HNNXBMFYSA-N -1 3 317.348 3.437 20 30 DGEDHM CC(C)Cn1cc(C([O-])=C(C#N)c2ccccn2)c(C(F)F)n1 ZINC000453593391 433222619 /nfs/dbraw/zinc/22/26/19/433222619.db2.gz VDJSHSAGZWVHTE-LLVKDONJSA-N -1 3 318.327 3.362 20 30 DGEDHM [O-]c1ccccc1/C=N/CCCCn1cc(Br)cn1 ZINC000280956733 433241374 /nfs/dbraw/zinc/24/13/74/433241374.db2.gz KCLDBNXLWUDXSG-CXUHLZMHSA-N -1 3 322.206 3.251 20 30 DGEDHM Cc1cc(C(=O)N2CCCC2)ccc1/N=C/c1cccc([O-])c1O ZINC000299501650 433372806 /nfs/dbraw/zinc/37/28/06/433372806.db2.gz QNNAIHURCRXZTI-UDWIEESQSA-N -1 3 324.380 3.393 20 30 DGEDHM C=CCCCS(=O)(=O)[N-]c1n[nH]c(-c2ccccc2)c1C ZINC000291907591 433389520 /nfs/dbraw/zinc/38/95/20/433389520.db2.gz RSLIDESQAVOZIM-UHFFFAOYSA-N -1 3 305.403 3.093 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H]2C[C@H](c3cccc(F)c3)C2)c1[O-] ZINC000281934273 433433915 /nfs/dbraw/zinc/43/39/15/433433915.db2.gz WFCMGPBRBOWQFI-WCCGLUEHSA-N -1 3 314.360 3.092 20 30 DGEDHM O=C(NCC(F)(F)C(F)F)c1cc([O-])ccc1C(F)(F)F ZINC000282037701 433475604 /nfs/dbraw/zinc/47/56/04/433475604.db2.gz YHSPFYSSNBKEPJ-UHFFFAOYSA-N -1 3 319.176 3.041 20 30 DGEDHM CCN(C[C@H](C)C#N)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000448726508 433513962 /nfs/dbraw/zinc/51/39/62/433513962.db2.gz UDJCVVRESQTIFN-CQSZACIVSA-N -1 3 310.397 3.486 20 30 DGEDHM N#Cc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426733101 433575428 /nfs/dbraw/zinc/57/54/28/433575428.db2.gz WMCSNUXZOMVPRW-OAHLLOKOSA-N -1 3 300.745 3.127 20 30 DGEDHM CCC(CC)c1cc(C(=O)[N-]c2nn(C(C)C)cc2C#N)on1 ZINC000161099127 292827923 /nfs/dbraw/zinc/82/79/23/292827923.db2.gz AUDDOEUUSLYZAM-UHFFFAOYSA-N -1 3 315.377 3.480 20 30 DGEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2cc(-c3ccccc3)on2)n1 ZINC000161136267 292829004 /nfs/dbraw/zinc/82/90/04/292829004.db2.gz IWGMDZMXSPEXST-UHFFFAOYSA-N -1 3 321.340 3.243 20 30 DGEDHM Cc1ccc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c([O-])c1 ZINC000342380451 433650563 /nfs/dbraw/zinc/65/05/63/433650563.db2.gz SODBIHDVNNOMBB-UHFFFAOYSA-N -1 3 318.336 3.010 20 30 DGEDHM CC(C)(C#N)CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436722081 434083476 /nfs/dbraw/zinc/08/34/76/434083476.db2.gz NAWPXMWLDUVPPK-UHFFFAOYSA-N -1 3 310.353 3.464 20 30 DGEDHM CC#CCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436785990 434109736 /nfs/dbraw/zinc/10/97/36/434109736.db2.gz XAHPKRSCCXLLCF-UHFFFAOYSA-N -1 3 307.393 3.273 20 30 DGEDHM C=CCNC(=O)c1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC000436810746 434116880 /nfs/dbraw/zinc/11/68/80/434116880.db2.gz XWEJRAKXLVTEEZ-UHFFFAOYSA-N -1 3 324.380 3.123 20 30 DGEDHM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)c(Cl)cc1F ZINC000314756756 434148985 /nfs/dbraw/zinc/14/89/85/434148985.db2.gz JRTRUBYDPPJWRT-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000294973747 434160688 /nfs/dbraw/zinc/16/06/88/434160688.db2.gz NFLKYGWINZWLIP-LLVKDONJSA-N 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/nfs/dbraw/zinc/50/28/31/434502831.db2.gz LIWXSTXAQDIEHF-UHFFFAOYSA-N -1 3 311.407 3.223 20 30 DGEDHM CCc1ccc([C@@H](NCc2ccc(C#N)c(OC)c2)C(=O)[O-])cc1 ZINC000417592030 434451711 /nfs/dbraw/zinc/45/17/11/434451711.db2.gz YKZYYRYXSCATMN-GOSISDBHSA-N -1 3 324.380 3.045 20 30 DGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462066940 434899474 /nfs/dbraw/zinc/89/94/74/434899474.db2.gz LAWSWSLLMUNATP-MRVPVSSYSA-N -1 3 313.366 3.400 20 30 DGEDHM C=CC1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC000412101614 434865505 /nfs/dbraw/zinc/86/55/05/434865505.db2.gz VFTKTDLHEMNWRZ-UHFFFAOYSA-N -1 3 316.788 3.220 20 30 DGEDHM Cc1cc([N-]c2snc(C)c2C#N)nn1C1CCCCC1 ZINC000574949288 435004592 /nfs/dbraw/zinc/00/45/92/435004592.db2.gz UJVRDHHDKSCTID-UHFFFAOYSA-N -1 3 301.419 4.077 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000529512451 435036885 /nfs/dbraw/zinc/03/68/85/435036885.db2.gz NNTVODIQPQYLOU-UJNFCWOMSA-N -1 3 316.220 3.236 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc[nH]c3C(C)C)nc1-2 ZINC000575994049 435053265 /nfs/dbraw/zinc/05/32/65/435053265.db2.gz ZGFLFFXDHHFBGI-GFCCVEGCSA-N -1 3 307.357 3.208 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1ccc(OCCC)c(OC)c1 ZINC000493044877 435098544 /nfs/dbraw/zinc/09/85/44/435098544.db2.gz HZURBUVXUSCEEH-AORWBKJGSA-N -1 3 305.374 3.120 20 30 DGEDHM N#CCCn1cc(/C=C/C(=O)[N-]OC2CCC2)c2ccccc21 ZINC000493516409 435187452 /nfs/dbraw/zinc/18/74/52/435187452.db2.gz MVQXXTFDKWPGBL-MDZDMXLPSA-N -1 3 309.369 3.168 20 30 DGEDHM C=C(C)CN(CC)Cc1oc(-c2ccccc2)nc1C(=O)[O-] ZINC000566801786 435289804 /nfs/dbraw/zinc/28/98/04/435289804.db2.gz HCWOQGLCNKNSKR-UHFFFAOYSA-N -1 3 300.358 3.438 20 30 DGEDHM N#Cc1cccc(-c2cc(C(=O)Nc3cc(F)ccc3[O-])on2)c1 ZINC000567610951 435335114 /nfs/dbraw/zinc/33/51/14/435335114.db2.gz VPZIFJRHTNCQME-UHFFFAOYSA-N -1 3 323.283 3.310 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc([C@@H]3CCOC3)c2)nc(C)n1 ZINC000535650716 435340457 /nfs/dbraw/zinc/34/04/57/435340457.db2.gz 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CC(=O)c1ccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[O-] ZINC000331233628 527220248 /nfs/dbraw/zinc/22/02/48/527220248.db2.gz KEEWVGKWXZZXTN-CYBMUJFWSA-N -1 3 318.417 3.020 20 30 DGEDHM CC(=O)c1ccc(C(=O)NC[C@H](C)N2CCC(C)CC2)cc1[O-] ZINC000331233629 527221124 /nfs/dbraw/zinc/22/11/24/527221124.db2.gz KEEWVGKWXZZXTN-ZDUSSCGKSA-N -1 3 318.417 3.020 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccc(F)cc1OC(C)(C)C ZINC000345877820 527421201 /nfs/dbraw/zinc/42/12/01/527421201.db2.gz FRTAAEFSCSYMOD-UHFFFAOYSA-N -1 3 301.383 3.321 20 30 DGEDHM C=CCN(CC(F)(F)F)C(=O)Cc1ccc([O-])cc1Cl ZINC000357330687 527587448 /nfs/dbraw/zinc/58/74/48/527587448.db2.gz BWFJVCCPOIQLOQ-UHFFFAOYSA-N -1 3 307.699 3.165 20 30 DGEDHM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435421062 527792507 /nfs/dbraw/zinc/79/25/07/527792507.db2.gz GIUQCYBGJFKEFO-RYUDHWBXSA-N -1 3 312.460 3.113 20 30 DGEDHM CC(C)c1ccc(C(=O)NCC2CCN(CC#N)CC2)c([O-])c1 ZINC000331251442 528055698 /nfs/dbraw/zinc/05/56/98/528055698.db2.gz 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CCOc1ccc(/C=N/CC(=O)N(C)C2CCCCC2)c([O-])c1 ZINC000748285612 575578172 /nfs/dbraw/zinc/57/81/72/575578172.db2.gz LBZCBSFASDNILS-XDHOZWIPSA-N -1 3 318.417 3.001 20 30 DGEDHM COc1ccc(NN=C(C)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000750945968 575763942 /nfs/dbraw/zinc/76/39/42/575763942.db2.gz KJCOXQTVYAVEDQ-UHFFFAOYSA-N -1 3 313.357 3.195 20 30 DGEDHM CCCCC[C@@H](/N=C\c1ccc(OCC)cc1[O-])C(=O)OC ZINC000751889938 575809753 /nfs/dbraw/zinc/80/97/53/575809753.db2.gz FADYOLIZXBVTEJ-PWDRBQJJSA-N -1 3 307.390 3.332 20 30 DGEDHM N#Cc1ccc(NN=Cc2ccc(O)cc2[O-])cc1C(F)(F)F ZINC000726426491 576022805 /nfs/dbraw/zinc/02/28/05/576022805.db2.gz ZRYIANVMDDXZST-UHFFFAOYSA-N -1 3 321.258 3.434 20 30 DGEDHM CCCCCCC[C@@H](C)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000727171307 576110924 /nfs/dbraw/zinc/11/09/24/576110924.db2.gz LYGIDJWETBYFNI-CYBMUJFWSA-N -1 3 315.483 3.003 20 30 DGEDHM N#Cc1ccc(OCCCOC(=O)c2ccc(F)cc2[O-])cc1 ZINC000750143676 576121226 /nfs/dbraw/zinc/12/12/26/576121226.db2.gz JGVPKDQDLOJDTH-UHFFFAOYSA-N -1 3 315.300 3.029 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cccc(OCC#N)c2)ccc1[O-] ZINC000727744628 576143347 /nfs/dbraw/zinc/14/33/47/576143347.db2.gz UKTJHBKSGZFFDX-ALCCZGGFSA-N -1 3 309.321 3.199 20 30 DGEDHM CC(=NNC(=S)Nc1ccccc1)c1ccc([O-])c(F)c1 ZINC000728427048 576181117 /nfs/dbraw/zinc/18/11/17/576181117.db2.gz GOHHHGIWAJNADY-UHFFFAOYSA-N -1 3 303.362 3.242 20 30 DGEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000916910106 620650137 /nfs/dbraw/zinc/65/01/37/620650137.db2.gz QLAUDKGMWUJJAL-LLVKDONJSA-N -1 3 302.717 3.203 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(-c3ccccc3)o2)c1[O-] ZINC000917557311 620675891 /nfs/dbraw/zinc/67/58/91/620675891.db2.gz FOXUTBGTCYACRZ-RGVLZGJSSA-N -1 3 322.364 3.467 20 30 DGEDHM C(=[NH+][N-]c1ncnc2[n-]cnc21)c1ccc(-c2ccccc2)cc1 ZINC000917555839 620675607 /nfs/dbraw/zinc/67/56/07/620675607.db2.gz PSDPSJJTBKLYLY-UHFFFAOYSA-N -1 3 314.352 3.466 20 30 DGEDHM CCCCC1N=NC(=S)N1N=Cc1cc(Cl)c(C)cc1[O-] ZINC000853265867 620683275 /nfs/dbraw/zinc/68/32/75/620683275.db2.gz LAEWQECAGVEYON-UHFFFAOYSA-N -1 3 324.837 3.459 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(C)cc1Br ZINC000846550464 617770352 /nfs/dbraw/zinc/77/03/52/617770352.db2.gz SOSUAXRZJFXQCC-NSHDSACASA-N -1 3 312.207 3.312 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3c2cccc3Cl)c1[O-] ZINC000920177841 620789666 /nfs/dbraw/zinc/78/96/66/620789666.db2.gz LKHZSJPIXFYBML-RUIVNBNWSA-N -1 3 316.788 3.348 20 30 DGEDHM C[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)CC(C)(C)C1 ZINC000920386875 620798582 /nfs/dbraw/zinc/79/85/82/620798582.db2.gz HQQKXFOFXMYEGO-ZDUSSCGKSA-N -1 3 308.447 3.308 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2cc3ccccc3s2)c1[O-] ZINC000920480033 620805587 /nfs/dbraw/zinc/80/55/87/620805587.db2.gz ZDDNGRMTRJAZSN-NVMNQCDNSA-N -1 3 312.394 3.422 20 30 DGEDHM C=C(CC)CNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000909386903 618589589 /nfs/dbraw/zinc/58/95/89/618589589.db2.gz KAXGTLSHHSQYAD-UHFFFAOYSA-N -1 3 311.407 3.186 20 30 DGEDHM CCC(=NOCCCOC)c1cc(Br)ccc1[O-] ZINC000795042399 618598432 /nfs/dbraw/zinc/59/84/32/618598432.db2.gz SFFFDFIRRBJFIN-UHFFFAOYSA-N -1 3 316.195 3.322 20 30 DGEDHM CC(=NNCC(F)(F)C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000863180126 619123486 /nfs/dbraw/zinc/12/34/86/619123486.db2.gz ZXXRFBIZDCGGCU-UHFFFAOYSA-N -1 3 300.202 3.043 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCC2(CCOCC2)O1 ZINC000899227124 619319762 /nfs/dbraw/zinc/31/97/62/619319762.db2.gz FUXAXFBOHBWYTN-FNHQQPGVSA-N -1 3 309.793 3.193 20 30 DGEDHM CN(C)[C@@H](CC/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000899225607 619321156 /nfs/dbraw/zinc/32/11/56/619321156.db2.gz CJDTZDSXAXCIRZ-MEBUONCMSA-N -1 3 308.731 3.347 20 30 DGEDHM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(C[C@@H](C)C#N)c1=O ZINC000899347688 619327600 /nfs/dbraw/zinc/32/76/00/619327600.db2.gz BNCOHJZTIXLIPL-FZMZJTMJSA-N -1 3 303.793 3.318 20 30 DGEDHM O=C(c1ccc([N+](=O)[O-])cn1)N([O-])Cc1cccc2ccccc21 ZINC000900091611 619404231 /nfs/dbraw/zinc/40/42/31/619404231.db2.gz DFDMZDRABWJYDS-UHFFFAOYSA-N -1 3 323.308 3.175 20 30 DGEDHM O=C(N([O-])Cc1ccccc1Cl)[C@]12CCO[C@H]1CCCC2 ZINC000900678069 619444871 /nfs/dbraw/zinc/44/48/71/619444871.db2.gz GGMCGRWYPSIKHB-GOEBONIOSA-N -1 3 309.793 3.407 20 30 DGEDHM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)N([O-])Cc1ccccc1Cl ZINC000900679025 619445043 /nfs/dbraw/zinc/44/50/43/619445043.db2.gz METAMBYQUFJIST-ZFWWWQNUSA-N -1 3 309.793 3.406 20 30 DGEDHM O=C(C[C@@H]1CC[C@H](C2CC2)O1)N([O-])Cc1ccccc1Cl ZINC000900679021 619445133 /nfs/dbraw/zinc/44/51/33/619445133.db2.gz METAMBYQUFJIST-DZGCQCFKSA-N -1 3 309.793 3.406 20 30 DGEDHM CC(C)([N-]C(=O)C(F)(F)c1ccccc1C#N)c1nccs1 ZINC000900735365 619448286 /nfs/dbraw/zinc/44/82/86/619448286.db2.gz PSEBGWOWPRVDKP-UHFFFAOYSA-N -1 3 321.352 3.158 20 30 DGEDHM COc1cccc(Cl)c1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372464 619487614 /nfs/dbraw/zinc/48/76/14/619487614.db2.gz DHLDQENRPGXTMS-UHFFFAOYSA-N -1 3 323.751 3.448 20 30 DGEDHM O=C(c1cc(C2CC2)[nH]n1)N([O-])Cc1cccc2ccccc21 ZINC000901370259 619490452 /nfs/dbraw/zinc/49/04/52/619490452.db2.gz CILHRZVZDUAVEN-UHFFFAOYSA-N -1 3 307.353 3.472 20 30 DGEDHM O=C(c1cnn(C2CC2)c1)N([O-])Cc1cccc2ccccc21 ZINC000901370841 619490745 /nfs/dbraw/zinc/49/07/45/619490745.db2.gz IFLQSVJGIKWGLZ-UHFFFAOYSA-N -1 3 307.353 3.403 20 30 DGEDHM CCc1c(C(=O)N([O-])Cc2ccc(F)cc2)cnn1CC(C)C ZINC000901373153 619491558 /nfs/dbraw/zinc/49/15/58/619491558.db2.gz SWEZMNCJFPYPSH-UHFFFAOYSA-N -1 3 319.380 3.272 20 30 DGEDHM CCC(=O)Nc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901376030 619492016 /nfs/dbraw/zinc/49/20/16/619492016.db2.gz NXDOEECFUGPBGT-UHFFFAOYSA-N -1 3 316.332 3.206 20 30 DGEDHM O=C(CCCOc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000901379351 619492747 /nfs/dbraw/zinc/49/27/47/619492747.db2.gz VVAGIPZRODGLHE-UHFFFAOYSA-N -1 3 303.333 3.403 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnn(CCF)c1 ZINC000901454706 619502225 /nfs/dbraw/zinc/50/22/25/619502225.db2.gz VRHCVNPYFRGVKU-ISAHRAOESA-N -1 3 304.296 3.081 20 30 DGEDHM C#CCCOc1ccc(CNCc2ccc(CC(=O)[O-])cc2)cc1 ZINC000901541598 619513575 /nfs/dbraw/zinc/51/35/75/619513575.db2.gz WHKCWJLXEGADSF-UHFFFAOYSA-N -1 3 323.392 3.006 20 30 DGEDHM N#CC1CCC(CSCCC[N-]C(=O)C(F)(F)F)CC1 ZINC000902565581 619652709 /nfs/dbraw/zinc/65/27/09/619652709.db2.gz GSHRZKWIZBHFOZ-UHFFFAOYSA-N -1 3 308.369 3.118 20 30 DGEDHM Cc1cccc([C@@H](CC(=O)[O-])NCc2cc(C#N)cs2)c1 ZINC000904046021 619864415 /nfs/dbraw/zinc/86/44/15/619864415.db2.gz ULZBCDOJESJLLL-OAHLLOKOSA-N -1 3 300.383 3.234 20 30 DGEDHM C=C[C@@H]1OCC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180345 619888639 /nfs/dbraw/zinc/88/86/39/619888639.db2.gz JWAIGZIADWRMAD-OLZOCXBDSA-N -1 3 316.184 3.302 20 30 DGEDHM O=C([C@@H]1CSCCS1)N([O-])Cc1cccc2ccccc21 ZINC000904170947 619891445 /nfs/dbraw/zinc/89/14/45/619891445.db2.gz HIMCGEQBXPCLTK-HNNXBMFYSA-N -1 3 319.451 3.406 20 30 DGEDHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904172710 619892008 /nfs/dbraw/zinc/89/20/08/619892008.db2.gz AUBHGLQSMYEWPI-SNVBAGLBSA-N -1 3 305.353 3.077 20 30 DGEDHM CCO[C@H](C)c1ncc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000904174803 619892578 /nfs/dbraw/zinc/89/25/78/619892578.db2.gz JZMGIMCYRVLLQW-SNVBAGLBSA-N -1 3 324.377 3.411 20 30 DGEDHM O=C([C@H]1CCC(=O)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178450 619893703 /nfs/dbraw/zinc/89/37/03/619893703.db2.gz KLEZXKKDLWFGEI-VIFPVBQESA-N -1 3 302.157 3.080 20 30 DGEDHM CCCCN([O-])C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000904210249 619894153 /nfs/dbraw/zinc/89/41/53/619894153.db2.gz JHRJEFYPIGQFRT-UHFFFAOYSA-N -1 3 323.780 3.341 20 30 DGEDHM O=C(Cc1ccc(F)cn1)N([O-])CCCCc1ccccc1 ZINC000904192392 619895481 /nfs/dbraw/zinc/89/54/81/619895481.db2.gz KEGZDRCPXZZSIJ-UHFFFAOYSA-N -1 3 302.349 3.004 20 30 DGEDHM C[C@H](CC(=O)N([O-])CCCCc1ccccc1)c1cnn(C)c1 ZINC000904195344 619896330 /nfs/dbraw/zinc/89/63/30/619896330.db2.gz CATSYKGFLGXHRD-OAHLLOKOSA-N -1 3 315.417 3.154 20 30 DGEDHM Cc1cn(C(C)(C)C(=O)N([O-])CCCCc2ccccc2)cn1 ZINC000904195355 619896346 /nfs/dbraw/zinc/89/63/46/619896346.db2.gz CLQPULFKLRLKFT-UHFFFAOYSA-N -1 3 315.417 3.167 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000904214788 619901657 /nfs/dbraw/zinc/90/16/57/619901657.db2.gz NAWWKERMYHZYOY-ZDUSSCGKSA-N -1 3 314.426 3.042 20 30 DGEDHM C=CCN(CC=C)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000905045855 619966019 /nfs/dbraw/zinc/96/60/19/619966019.db2.gz HBGJMDDFUBPNDH-UHFFFAOYSA-N -1 3 323.418 3.304 20 30 DGEDHM C[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000907419233 620156534 /nfs/dbraw/zinc/15/65/34/620156534.db2.gz ALNMAFRIPVUXGN-MRVPVSSYSA-N -1 3 306.234 3.107 20 30 DGEDHM C=CCCCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907853007 620176838 /nfs/dbraw/zinc/17/68/38/620176838.db2.gz QOJMSXYVMMJHRO-UHFFFAOYSA-N -1 3 311.407 3.186 20 30 DGEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000915924358 620607297 /nfs/dbraw/zinc/60/72/97/620607297.db2.gz CZGGXCFPGXFMSL-UHFFFAOYSA-N -1 3 321.352 3.381 20 30 DGEDHM CC(C)(C)C1N=NC(=S)N1N=Cc1cc(Cl)ccc1[O-] ZINC000916308246 620625576 /nfs/dbraw/zinc/62/55/76/620625576.db2.gz ADJNAAMUFUGIFL-UHFFFAOYSA-N -1 3 310.810 3.106 20 30 DGEDHM N#C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C1CCCC1 ZINC000921545136 620905899 /nfs/dbraw/zinc/90/58/99/620905899.db2.gz DBHPXMLOIAGKSF-CYBMUJFWSA-N -1 3 300.383 3.419 20 30 DGEDHM C#CCO[N-]C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000855604013 620917247 /nfs/dbraw/zinc/91/72/47/620917247.db2.gz XOOVCSSVGUSFCX-OLZOCXBDSA-N -1 3 312.394 3.027 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000856030378 620955262 /nfs/dbraw/zinc/95/52/62/620955262.db2.gz XQJHQXWXDWTOBS-UHFFFAOYSA-N -1 3 320.389 3.200 20 30 DGEDHM CC(C)CN(CCC#N)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857708280 621114979 /nfs/dbraw/zinc/11/49/79/621114979.db2.gz KFGKGUAWWKBKTA-UHFFFAOYSA-N -1 3 314.307 3.423 20 30 DGEDHM CCCCCCCCc1nnc([N-]C(=O)c2cccnn2)s1 ZINC000858690340 621214730 /nfs/dbraw/zinc/21/47/30/621214730.db2.gz SHHJVAYGTJKBDW-UHFFFAOYSA-N -1 3 319.434 3.483 20 30 DGEDHM CC1(C/N=C/c2cc(Br)ccc2[O-])CCOCC1 ZINC000753138395 621427521 /nfs/dbraw/zinc/42/75/21/621427521.db2.gz NNXMJKUPLRCBAE-CXUHLZMHSA-N -1 3 312.207 3.390 20 30 DGEDHM CC(C)c1nc(C#N)c(N=NCc2c([O-])cccc2Cl)o1 ZINC000755674046 621584958 /nfs/dbraw/zinc/58/49/58/621584958.db2.gz OKOCXGHZFYZKQV-UHFFFAOYSA-N -1 3 304.737 3.475 20 30 DGEDHM COC(=O)CC1CC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125034 621641039 /nfs/dbraw/zinc/64/10/39/621641039.db2.gz LBBQWRBPFKQOLY-UHFFFAOYSA-N -1 3 316.386 3.033 20 30 DGEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(O)cc1[O-] ZINC000757462189 621713431 /nfs/dbraw/zinc/71/34/31/621713431.db2.gz YNDXPIYYWROWEY-UHFFFAOYSA-N -1 3 301.302 3.151 20 30 DGEDHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cccc(C#N)c1 ZINC000864527792 621779653 /nfs/dbraw/zinc/77/96/53/621779653.db2.gz IPPRZLVNCNQCRI-GOSISDBHSA-N -1 3 308.381 3.426 20 30 DGEDHM CCO[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])[C@@]12CCCO2 ZINC000758813608 621802353 /nfs/dbraw/zinc/80/23/53/621802353.db2.gz AHZSIOKPQWRJCN-PJEYFNGFSA-N -1 3 309.793 3.191 20 30 DGEDHM N#Cc1cc(COC(=O)c2cc(-c3ccco3)[n-]n2)ccc1F ZINC000758930794 621812410 /nfs/dbraw/zinc/81/24/10/621812410.db2.gz ZKPPAQXLGOJOLQ-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM N#Cc1cc(COC(=O)c2cc(-c3ccco3)n[n-]2)ccc1F ZINC000758930794 621812413 /nfs/dbraw/zinc/81/24/13/621812413.db2.gz ZKPPAQXLGOJOLQ-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc([O-])c(F)c1 ZINC000120807353 622022248 /nfs/dbraw/zinc/02/22/48/622022248.db2.gz SNDBBVMQWWEOEZ-MDWZMJQESA-N -1 3 306.362 3.034 20 30 DGEDHM Cc1cc(=O)[n-]c(CN(Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000761861960 622035282 /nfs/dbraw/zinc/03/52/82/622035282.db2.gz YYSSHBWYQQTHRH-UHFFFAOYSA-N -1 3 310.401 3.021 20 30 DGEDHM CC(C)Oc1ncccc1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866233084 622071310 /nfs/dbraw/zinc/07/13/10/622071310.db2.gz CYCAANPXGZEJPZ-CYBMUJFWSA-N -1 3 311.385 3.297 20 30 DGEDHM CCCOc1ncccc1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866242170 622074570 /nfs/dbraw/zinc/07/45/70/622074570.db2.gz LKQNROTVMINERX-ZDUSSCGKSA-N -1 3 311.385 3.298 20 30 DGEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCN1C1CCCCC1 ZINC000764413806 622192612 /nfs/dbraw/zinc/19/26/12/622192612.db2.gz LSRZMSRCSQAUDJ-VUQQOUJSSA-N -1 3 320.820 3.398 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc3[nH]ccc3c2)nc(C)n1 ZINC000765913089 622293616 /nfs/dbraw/zinc/29/36/16/622293616.db2.gz RMJLHWQNUPIUAA-LEXSJLIMSA-N -1 3 316.364 3.464 20 30 DGEDHM COc1cc(C=NNc2ccccc2Cl)c([N+](=O)[O-])cc1[O-] ZINC000767037111 622370575 /nfs/dbraw/zinc/37/05/75/622370575.db2.gz LLSKAHWLNWAKCF-UHFFFAOYSA-N -1 3 321.720 3.408 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)C[C@H](c2ccc(O)cc2)C2CC2)c1 ZINC000870689831 622496735 /nfs/dbraw/zinc/49/67/35/622496735.db2.gz CERWQIYMCALKDR-SFHVURJKSA-N -1 3 322.364 3.258 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC(C)(C)c3ccccc32)c1[O-] ZINC000769773364 622559070 /nfs/dbraw/zinc/55/90/70/622559070.db2.gz DNSYNIGIDMOPDA-HQOKVJKCSA-N -1 3 310.397 3.429 20 30 DGEDHM COc1cc(C=NNc2c(C)cccc2F)c([N+](=O)[O-])cc1[O-] ZINC000769841032 622567079 /nfs/dbraw/zinc/56/70/79/622567079.db2.gz SAHALZZHFSZQOW-UHFFFAOYSA-N -1 3 319.292 3.203 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccnc(Cl)c2)nc(C)n1 ZINC000771259401 622734623 /nfs/dbraw/zinc/73/46/23/622734623.db2.gz ZPNIKWFPINADFT-SCOBNMCVSA-N -1 3 312.760 3.032 20 30 DGEDHM CCOc1cc(C=NN[C@@H](C)CC)cc(Br)c1[O-] ZINC000790187430 625614414 /nfs/dbraw/zinc/61/44/14/625614414.db2.gz AYTSGDGNRYOAEE-VIFPVBQESA-N -1 3 315.211 3.275 20 30 DGEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)sc1C ZINC000774042262 623101246 /nfs/dbraw/zinc/10/12/46/623101246.db2.gz FUNONHQUIYAGTP-CYBMUJFWSA-N -1 3 313.382 3.030 20 30 DGEDHM CC(=NN=c1cc[n-]n1C)c1ccc(SCC(F)F)cc1 ZINC000774412649 623141205 /nfs/dbraw/zinc/14/12/05/623141205.db2.gz GAMIZXRPDWPCQE-UHFFFAOYSA-N -1 3 310.373 3.035 20 30 DGEDHM CC(=NN=c1cc[n-]n1C)c1ccc(N2CCCCCC2)cc1 ZINC000774414819 623141902 /nfs/dbraw/zinc/14/19/02/623141902.db2.gz WAZVHWVUUHKLKA-UHFFFAOYSA-N -1 3 311.433 3.059 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2F)ccc1[O-] ZINC000777915162 623584495 /nfs/dbraw/zinc/58/44/95/623584495.db2.gz QTJJZWXMSLMJRG-ZZXKWVIFSA-N -1 3 317.272 3.344 20 30 DGEDHM CC[C@@H]1CCCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000779774940 623800673 /nfs/dbraw/zinc/80/06/73/623800673.db2.gz PWVIPRHQLGKLCQ-OAHLLOKOSA-N -1 3 308.447 3.105 20 30 DGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)nc1 ZINC000782028624 624190213 /nfs/dbraw/zinc/19/02/13/624190213.db2.gz HAKUSVGYWPTJEB-UHFFFAOYSA-N -1 3 321.714 3.015 20 30 DGEDHM CC(C)CCN(CCC#N)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878159476 624193410 /nfs/dbraw/zinc/19/34/10/624193410.db2.gz MFHUIBHHIGBIAM-UHFFFAOYSA-N -1 3 314.389 3.204 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2cc(Br)nn2C)ccc1[O-] ZINC000782327579 624239491 /nfs/dbraw/zinc/23/94/91/624239491.db2.gz RYXILMQCKGANGH-GQCTYLIASA-N -1 3 321.174 3.093 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(F)nc2C)c(OC)cc1[O-] ZINC000782346606 624242141 /nfs/dbraw/zinc/24/21/41/624242141.db2.gz ATXUREQZQQTOHN-XQRVVYSFSA-N -1 3 317.316 3.148 20 30 DGEDHM O=C([N-]OCC(F)(F)F)c1c(F)cc(C(F)(F)F)cc1F ZINC000810599353 624281954 /nfs/dbraw/zinc/28/19/54/624281954.db2.gz STJFURHPSFWNEK-UHFFFAOYSA-N -1 3 323.139 3.207 20 30 DGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2occ3c2CCC3)c1 ZINC000796789282 626083324 /nfs/dbraw/zinc/08/33/24/626083324.db2.gz NBMGWBBLEBVHMA-OAHLLOKOSA-N -1 3 308.337 3.038 20 30 DGEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000797447677 626143871 /nfs/dbraw/zinc/14/38/71/626143871.db2.gz CKRYJTOAFMYAPO-UHFFFAOYSA-N -1 3 300.594 3.024 20 30 DGEDHM Cc1ccc(-c2ccnn2C)cc1N=Cc1ccc(O)c([O-])c1O ZINC000798343381 626210435 /nfs/dbraw/zinc/21/04/35/626210435.db2.gz FNAFOKQWASCSOZ-UHFFFAOYSA-N -1 3 323.352 3.263 20 30 DGEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000802227775 626436193 /nfs/dbraw/zinc/43/61/93/626436193.db2.gz LLBDUFYFBZWXSI-CYBMUJFWSA-N -1 3 302.337 3.132 20 30 DGEDHM C=CCCC[C@H](NCc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC000883517660 626696195 /nfs/dbraw/zinc/69/61/95/626696195.db2.gz CHVNXEIKAQKJHF-INIZCTEOSA-N -1 3 313.401 3.306 20 30 DGEDHM C[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000807966684 626780935 /nfs/dbraw/zinc/78/09/35/626780935.db2.gz PBYPXKCLUASXKB-ZDUSSCGKSA-N -1 3 314.410 3.018 20 30 DGEDHM CC(N=Nc1nccnc1C1CCC1)c1ccc(F)cc1[O-] ZINC000807991697 626783549 /nfs/dbraw/zinc/78/35/49/626783549.db2.gz RUBTUWIFCXBWPL-UHFFFAOYSA-N -1 3 300.337 3.425 20 30 DGEDHM C=CC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccncc1 ZINC000810408479 627005212 /nfs/dbraw/zinc/00/52/12/627005212.db2.gz IEYGMTXNHTZORV-HNNXBMFYSA-N -1 3 302.761 3.488 20 30 DGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ncc(C(C)(C)C)o1 ZINC000811183961 627254215 /nfs/dbraw/zinc/25/42/15/627254215.db2.gz COQFFBHWZAYUSF-JTQLQIEISA-N -1 3 314.341 3.467 20 30 DGEDHM N#CC[C@@H](CC(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC000889445054 627421590 /nfs/dbraw/zinc/42/15/90/627421590.db2.gz MVSTWMBAGLOFRO-KRWDZBQOSA-N -1 3 324.380 3.201 20 30 DGEDHM C[C@H](NC(=S)NN=Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000814866131 627599916 /nfs/dbraw/zinc/59/99/16/627599916.db2.gz KDPLWWGYZWVQHK-NSHDSACASA-N -1 3 313.426 3.142 20 30 DGEDHM C[C@@H](NC(=S)NN=Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000814866130 627600143 /nfs/dbraw/zinc/60/01/43/627600143.db2.gz KDPLWWGYZWVQHK-LLVKDONJSA-N -1 3 313.426 3.142 20 30 DGEDHM COc1ccc(CNCc2cccc([O-])c2Cl)cc1C#N ZINC000815131853 627633890 /nfs/dbraw/zinc/63/38/90/627633890.db2.gz OCOFBWZFSNXWML-UHFFFAOYSA-N -1 3 302.761 3.216 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(Br)c(F)c1 ZINC000815149583 627638236 /nfs/dbraw/zinc/63/82/36/627638236.db2.gz RWSSFEOTFOAPFQ-UHFFFAOYSA-N -1 3 322.124 3.416 20 30 DGEDHM C=CCC1(O)CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC000924438333 627640929 /nfs/dbraw/zinc/64/09/29/627640929.db2.gz YAVDXOAOVAICPX-UHFFFAOYSA-N -1 3 317.410 3.150 20 30 DGEDHM CC[C@H](N[C@H](CCO)c1ccco1)c1cccc(C#N)c1[O-] ZINC000926195898 627858885 /nfs/dbraw/zinc/85/88/85/627858885.db2.gz GOEHDMGTFOSTFE-LSDHHAIUSA-N -1 3 300.358 3.021 20 30 DGEDHM c1ccc2c(c1)CCC[C@H]2CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819719003 628183254 /nfs/dbraw/zinc/18/32/54/628183254.db2.gz WTIVGRVDSHUYFM-HNNXBMFYSA-N -1 3 318.384 3.385 20 30 DGEDHM c1ccc2c(c1)CCC[C@H]2CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819719003 628183257 /nfs/dbraw/zinc/18/32/57/628183257.db2.gz WTIVGRVDSHUYFM-HNNXBMFYSA-N -1 3 318.384 3.385 20 30 DGEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000820455703 628260697 /nfs/dbraw/zinc/26/06/97/628260697.db2.gz MBZLJVLIKZZSOK-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1cccc(F)c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820462493 628261776 /nfs/dbraw/zinc/26/17/76/628261776.db2.gz XXYTXIZXEIZQRE-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1cccc(F)c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820462493 628261778 /nfs/dbraw/zinc/26/17/78/628261778.db2.gz XXYTXIZXEIZQRE-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C#C[C@](C)(CC)[N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1 ZINC000821004996 628324726 /nfs/dbraw/zinc/32/47/26/628324726.db2.gz WBBCDSASXIRTDC-CYBMUJFWSA-N -1 3 300.736 3.053 20 30 DGEDHM N#CC(=C([O-])C=C[C@@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000821177663 628343500 /nfs/dbraw/zinc/34/35/00/628343500.db2.gz HZZJNXONVILXLM-WGPFEIJOSA-N -1 3 310.275 3.012 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000821476072 628373792 /nfs/dbraw/zinc/37/37/92/628373792.db2.gz GDNRDBFLRBLIBF-ZZXKWVIFSA-N -1 3 316.411 3.448 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000822225355 628430568 /nfs/dbraw/zinc/43/05/68/628430568.db2.gz ZSDUFNUEBRQSIE-HWKANZROSA-N -1 3 302.384 3.194 20 30 DGEDHM Clc1ccc2c(c1)CCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000822582861 628467538 /nfs/dbraw/zinc/46/75/38/628467538.db2.gz ZCTRCCPKNUVYJU-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM Clc1ccc2c(c1)CCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000822582861 628467541 /nfs/dbraw/zinc/46/75/41/628467541.db2.gz ZCTRCCPKNUVYJU-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM Clc1ccccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822590076 628468584 /nfs/dbraw/zinc/46/85/84/628468584.db2.gz HJWYRBNJHXGVTK-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000822923251 628509337 /nfs/dbraw/zinc/50/93/37/628509337.db2.gz PECQZAGWVQOLFO-ZZXKWVIFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000822923251 628509338 /nfs/dbraw/zinc/50/93/38/628509338.db2.gz PECQZAGWVQOLFO-ZZXKWVIFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1Cl ZINC000822921992 628509449 /nfs/dbraw/zinc/50/94/49/628509449.db2.gz BMYAYXLVHLDAOZ-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1Cl ZINC000822921992 628509452 /nfs/dbraw/zinc/50/94/52/628509452.db2.gz BMYAYXLVHLDAOZ-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(F)c1 ZINC000823504472 628570501 /nfs/dbraw/zinc/57/05/01/628570501.db2.gz QPBHXOXFJZPLKP-JYRVWZFOSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(F)c1 ZINC000823504472 628570504 /nfs/dbraw/zinc/57/05/04/628570504.db2.gz QPBHXOXFJZPLKP-JYRVWZFOSA-N -1 3 320.327 3.218 20 30 DGEDHM C=C(C)CN(C)c1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000823877727 628606081 /nfs/dbraw/zinc/60/60/81/628606081.db2.gz DOSKZUVLFHLPQY-UHFFFAOYSA-N -1 3 314.780 3.081 20 30 DGEDHM C=C(C)CN(C)c1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000823877727 628606084 /nfs/dbraw/zinc/60/60/84/628606084.db2.gz DOSKZUVLFHLPQY-UHFFFAOYSA-N -1 3 314.780 3.081 20 30 DGEDHM C=CCC[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894486 628608159 /nfs/dbraw/zinc/60/81/59/628608159.db2.gz RJAYTSWTRQSGGI-PCUGXKRQSA-N -1 3 324.384 3.168 20 30 DGEDHM C=CCC[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894486 628608160 /nfs/dbraw/zinc/60/81/60/628608160.db2.gz RJAYTSWTRQSGGI-PCUGXKRQSA-N -1 3 324.384 3.168 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823958610 628614262 /nfs/dbraw/zinc/61/42/62/628614262.db2.gz SMJHFHCOIKEILX-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(CC1CCCC1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824392497 628657911 /nfs/dbraw/zinc/65/79/11/628657911.db2.gz ORCLJHSKCNXJEU-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CC(CC1CCCC1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824392497 628657912 /nfs/dbraw/zinc/65/79/12/628657912.db2.gz ORCLJHSKCNXJEU-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CCc1ccccc1NN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000825728687 628792087 /nfs/dbraw/zinc/79/20/87/628792087.db2.gz VYYBJJIWIRTPRD-UHFFFAOYSA-N -1 3 324.363 3.404 20 30 DGEDHM CCc1ccccc1NN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000825728687 628792089 /nfs/dbraw/zinc/79/20/89/628792089.db2.gz VYYBJJIWIRTPRD-UHFFFAOYSA-N -1 3 324.363 3.404 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000826285780 628839117 /nfs/dbraw/zinc/83/91/17/628839117.db2.gz JPPBFGRSMUCPTP-ALCCZGGFSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000826285780 628839120 /nfs/dbraw/zinc/83/91/20/628839120.db2.gz JPPBFGRSMUCPTP-ALCCZGGFSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(F)cc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826289819 628840514 /nfs/dbraw/zinc/84/05/14/628840514.db2.gz OMLFUMGADFBZRM-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)cc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826289819 628840517 /nfs/dbraw/zinc/84/05/17/628840517.db2.gz OMLFUMGADFBZRM-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)ccc1Cl ZINC000826384303 628850359 /nfs/dbraw/zinc/85/03/59/628850359.db2.gz PUEAOYSGJHHDRY-UHFFFAOYSA-N -1 3 316.777 3.065 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC000826402159 628851537 /nfs/dbraw/zinc/85/15/37/628851537.db2.gz NWJYGHWCXZKAKZ-YFHOEESVSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826402159 628851539 /nfs/dbraw/zinc/85/15/39/628851539.db2.gz NWJYGHWCXZKAKZ-YFHOEESVSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1Cl ZINC000826401796 628851583 /nfs/dbraw/zinc/85/15/83/628851583.db2.gz HCQBGHGAMIEONE-KTKRTIGZSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1Cl ZINC000826401796 628851584 /nfs/dbraw/zinc/85/15/84/628851584.db2.gz HCQBGHGAMIEONE-KTKRTIGZSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475845 628852153 /nfs/dbraw/zinc/85/21/53/628852153.db2.gz SOLIAYMPDMCCIA-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475845 628852156 /nfs/dbraw/zinc/85/21/56/628852156.db2.gz SOLIAYMPDMCCIA-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476872 628852961 /nfs/dbraw/zinc/85/29/61/628852961.db2.gz QTHMMBZRXHUCMH-GHXNOFRVSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476872 628852964 /nfs/dbraw/zinc/85/29/64/628852964.db2.gz QTHMMBZRXHUCMH-GHXNOFRVSA-N -1 3 322.755 3.343 20 30 DGEDHM C#CC[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000829793428 629193580 /nfs/dbraw/zinc/19/35/80/629193580.db2.gz DRXJAYJKPUFJDS-CYBMUJFWSA-N -1 3 321.380 3.317 20 30 DGEDHM Cc1csc(C(C#N)C(=O)c2ccc(NC(=O)[O-])c(C)c2)n1 ZINC000830655314 629293138 /nfs/dbraw/zinc/29/31/38/629293138.db2.gz NMPWERNUEOHQDG-NSHDSACASA-N -1 3 315.354 3.340 20 30 DGEDHM CCCCCCCC[C@H](C)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000832010437 629435285 /nfs/dbraw/zinc/43/52/85/629435285.db2.gz MRFNSMIXORXCNB-AWEZNQCLSA-N -1 3 319.449 3.454 20 30 DGEDHM CSc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000832777461 629514304 /nfs/dbraw/zinc/51/43/04/629514304.db2.gz NHHHFJYLSQJZCJ-INIZCTEOSA-N -1 3 312.394 3.196 20 30 DGEDHM CC(C)C[C@H](CNC(=O)[O-])N[C@@H](C)c1ccc(C#N)cc1F ZINC000833794611 629651240 /nfs/dbraw/zinc/65/12/40/629651240.db2.gz LTDQOHBJLBNMJD-WCQYABFASA-N -1 3 307.369 3.030 20 30 DGEDHM C=CCO[N-]C(=O)CCCOc1cccc(Cl)c1Cl ZINC000837043876 630206036 /nfs/dbraw/zinc/20/60/36/630206036.db2.gz HFXUABFQCGMSBK-UHFFFAOYSA-N -1 3 304.173 3.386 20 30 DGEDHM CCO[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@@H]1n1cccn1 ZINC000840707259 630350372 /nfs/dbraw/zinc/35/03/72/630350372.db2.gz UHNDQQGIFNEYQO-INQCIYFVSA-N -1 3 319.792 3.080 20 30 DGEDHM CC(C)(C)CC(=O)[N-]OCc1ccc(C#N)cc1OC(F)F ZINC000842064183 630486000 /nfs/dbraw/zinc/48/60/00/630486000.db2.gz ZVSAFXINNSHLST-UHFFFAOYSA-N -1 3 312.316 3.144 20 30 DGEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1F ZINC000844271110 630714799 /nfs/dbraw/zinc/71/47/99/630714799.db2.gz MKOAVBDUYZGUKD-FCASDWRQSA-N -1 3 302.349 3.297 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1ccc(Br)cc1F ZINC000846539917 631257083 /nfs/dbraw/zinc/25/70/83/631257083.db2.gz PZGDHLJYCNKNIJ-UHFFFAOYSA-N -1 3 316.170 3.145 20 30 DGEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCC1 ZINC000846927748 631355817 /nfs/dbraw/zinc/35/58/17/631355817.db2.gz GSCHUDAHTIEQPT-UHFFFAOYSA-N -1 3 308.328 3.128 20 30 DGEDHM Cc1ccoc1CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000851109732 632313153 /nfs/dbraw/zinc/31/31/53/632313153.db2.gz LYDLVRSHORZUJJ-OAHLLOKOSA-N -1 3 307.349 3.140 20 30 DGEDHM N#Cc1ccc(F)c(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000354524479 660206689 /nfs/dbraw/zinc/20/66/89/660206689.db2.gz UEVASXUEWLZETG-UHFFFAOYSA-N -1 3 320.323 3.486 20 30 DGEDHM Cc1cc(=O)[n-]c(N=NC[C@@H](OC(C)C)c2ccccc2)n1 ZINC000792868078 660990115 /nfs/dbraw/zinc/99/01/15/660990115.db2.gz BTDIBJOJZWXQCF-CQSZACIVSA-N -1 3 300.362 3.055 20 30 DGEDHM CCOc1cc(C=NNCCC(F)(F)F)cc(Cl)c1[O-] ZINC000794551241 661090625 /nfs/dbraw/zinc/09/06/25/661090625.db2.gz BCMDNDDEGMOGMB-UHFFFAOYSA-N -1 3 310.703 3.320 20 30 DGEDHM COc1cc(C(=O)/C=C\c2c(OC)cccc2OC)ccc1[O-] ZINC000255048707 655577239 /nfs/dbraw/zinc/57/72/39/655577239.db2.gz JYOQOEAHPNTINY-NTMALXAHSA-N -1 3 314.337 3.314 20 30 DGEDHM CN1C(=O)COc2ccc(N=Cc3cc(Cl)ccc3[O-])cc21 ZINC000255377240 655720868 /nfs/dbraw/zinc/72/08/68/655720868.db2.gz VWCTYLVRYVUCMH-UHFFFAOYSA-N -1 3 316.744 3.151 20 30 DGEDHM O=c1[nH]c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2[nH]c1=O ZINC000255570848 655816166 /nfs/dbraw/zinc/81/61/66/655816166.db2.gz VYOMKDVSBQMJBN-UHFFFAOYSA-N -1 3 315.716 3.151 20 30 DGEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c1 ZINC000177598518 655933913 /nfs/dbraw/zinc/93/39/13/655933913.db2.gz PNEBRIMSKJSXKB-CYBMUJFWSA-N -1 3 314.366 3.026 20 30 DGEDHM CC(=O)c1cc(F)cc(CN(CCC#N)CC(C)(C)C)c1[O-] ZINC000177281783 656075673 /nfs/dbraw/zinc/07/56/73/656075673.db2.gz IMYMVGGRABGQRJ-UHFFFAOYSA-N -1 3 306.381 3.496 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCCOCC1CC1 ZINC000061242243 659250121 /nfs/dbraw/zinc/25/01/21/659250121.db2.gz SXGVJOXTOISEAW-CXUHLZMHSA-N -1 3 312.207 3.390 20 30 DGEDHM C#CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)c1ccccn1 ZINC000172026731 659311943 /nfs/dbraw/zinc/31/19/43/659311943.db2.gz OARSBPFUJTWBQH-INIZCTEOSA-N -1 3 321.336 3.295 20 30 DGEDHM C#CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)c1ccccn1 ZINC000172026731 659311945 /nfs/dbraw/zinc/31/19/45/659311945.db2.gz OARSBPFUJTWBQH-INIZCTEOSA-N -1 3 321.336 3.295 20 30 DGEDHM COc1cc(C#N)ccc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000935430205 661785208 /nfs/dbraw/zinc/78/52/08/661785208.db2.gz PUGFVRZBYCXEQH-GFCCVEGCSA-N -1 3 322.364 3.426 20 30 DGEDHM Cc1cc(F)c(C#N)c(Oc2ccc(-c3nnn[n-]3)cc2C)c1 ZINC001580933392 1192046894 /nfs/dbraw/zinc/04/68/94/1192046894.db2.gz NKKGYFMLKKUWSB-UHFFFAOYSA-N -1 3 309.304 3.287 20 30 DGEDHM Cc1cc(F)c(C#N)c(Oc2ccc(-c3nn[n-]n3)cc2C)c1 ZINC001580933392 1192046896 /nfs/dbraw/zinc/04/68/96/1192046896.db2.gz NKKGYFMLKKUWSB-UHFFFAOYSA-N -1 3 309.304 3.287 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)CCSc2ccccc2F)c1 ZINC001587205116 1192379888 /nfs/dbraw/zinc/37/98/88/1192379888.db2.gz JTJKMZGVWSYQAR-UHFFFAOYSA-N -1 3 316.357 3.290 20 30 DGEDHM C#C[C@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)c1ccc(Cl)cc1 ZINC001588328476 1192445282 /nfs/dbraw/zinc/44/52/82/1192445282.db2.gz HZYHNJQUHSEHJJ-AWEZNQCLSA-N -1 3 324.775 3.010 20 30 DGEDHM C#C[C@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)c1ccc(Cl)cc1 ZINC001588328476 1192445284 /nfs/dbraw/zinc/44/52/84/1192445284.db2.gz HZYHNJQUHSEHJJ-AWEZNQCLSA-N -1 3 324.775 3.010 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588406337 1192446606 /nfs/dbraw/zinc/44/66/06/1192446606.db2.gz TXWGVNORHLUKET-NWDGAFQWSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588406337 1192446610 /nfs/dbraw/zinc/44/66/10/1192446610.db2.gz TXWGVNORHLUKET-NWDGAFQWSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC001588429466 1192447763 /nfs/dbraw/zinc/44/77/63/1192447763.db2.gz XRRPAHICTGJSFP-UHFFFAOYSA-N -1 3 308.345 3.042 20 30 DGEDHM C=CC(C)(C)CNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588488653 1192448855 /nfs/dbraw/zinc/44/88/55/1192448855.db2.gz KSPMRSLILRBXKL-UHFFFAOYSA-N -1 3 322.210 3.253 20 30 DGEDHM C=CC(C)(C)CNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588488653 1192448857 /nfs/dbraw/zinc/44/88/57/1192448857.db2.gz KSPMRSLILRBXKL-UHFFFAOYSA-N -1 3 322.210 3.253 20 30 DGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588525917 1192449261 /nfs/dbraw/zinc/44/92/61/1192449261.db2.gz NJTMARISPJFGSW-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588525917 1192449264 /nfs/dbraw/zinc/44/92/64/1192449264.db2.gz NJTMARISPJFGSW-SECBINFHSA-N -1 3 305.769 3.061 20 30 DGEDHM C=CCN(Cc1ccccc1)c1cccc(F)c1-c1nnn[n-]1 ZINC001588653706 1192452766 /nfs/dbraw/zinc/45/27/66/1192452766.db2.gz VJEADSHOEGJWLI-UHFFFAOYSA-N -1 3 309.348 3.198 20 30 DGEDHM C=CCN(Cc1ccccc1)c1cccc(F)c1-c1nn[n-]n1 ZINC001588653706 1192452768 /nfs/dbraw/zinc/45/27/68/1192452768.db2.gz VJEADSHOEGJWLI-UHFFFAOYSA-N -1 3 309.348 3.198 20 30 DGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)C1CCC(F)(F)CC1 ZINC001588777379 1192454079 /nfs/dbraw/zinc/45/40/79/1192454079.db2.gz QJPMWRIDXRNKMF-UHFFFAOYSA-N -1 3 320.347 3.480 20 30 DGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)C1CCC(F)(F)CC1 ZINC001588777379 1192454081 /nfs/dbraw/zinc/45/40/81/1192454081.db2.gz QJPMWRIDXRNKMF-UHFFFAOYSA-N -1 3 320.347 3.480 20 30 DGEDHM C[C@H]1CC(=NNc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC001590182186 1192492205 /nfs/dbraw/zinc/49/22/05/1192492205.db2.gz ZHJNZXLVZKFMNR-NSHDSACASA-N -1 3 304.357 3.190 20 30 DGEDHM C[C@H]1CCC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC001590219272 1192493713 /nfs/dbraw/zinc/49/37/13/1192493713.db2.gz QFQVMACAILZQIX-QMMMGPOBSA-N -1 3 324.310 3.473 20 30 DGEDHM C[C@H]1CCC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001590219272 1192493722 /nfs/dbraw/zinc/49/37/22/1192493722.db2.gz QFQVMACAILZQIX-QMMMGPOBSA-N -1 3 324.310 3.473 20 30 DGEDHM C[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001590247191 1192497842 /nfs/dbraw/zinc/49/78/42/1192497842.db2.gz IDWAIGWUNYIKHF-MRVPVSSYSA-N -1 3 324.310 3.473 20 30 DGEDHM C[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001590247191 1192497844 /nfs/dbraw/zinc/49/78/44/1192497844.db2.gz IDWAIGWUNYIKHF-MRVPVSSYSA-N -1 3 324.310 3.473 20 30 DGEDHM CCCCCCCC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001590592690 1192527515 /nfs/dbraw/zinc/52/75/15/1192527515.db2.gz FECAJVHMGJWEBW-UHFFFAOYSA-N -1 3 301.394 3.474 20 30 DGEDHM CCCCCCCC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001590592690 1192527519 /nfs/dbraw/zinc/52/75/19/1192527519.db2.gz FECAJVHMGJWEBW-UHFFFAOYSA-N -1 3 301.394 3.474 20 30 DGEDHM CCCCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001590592448 1192527626 /nfs/dbraw/zinc/52/76/26/1192527626.db2.gz RXBSLCDWYFWEIJ-UHFFFAOYSA-N -1 3 316.409 3.267 20 30 DGEDHM CCCCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001590592448 1192527632 /nfs/dbraw/zinc/52/76/32/1192527632.db2.gz RXBSLCDWYFWEIJ-UHFFFAOYSA-N -1 3 316.409 3.267 20 30 DGEDHM CCOCc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001590816935 1192536981 /nfs/dbraw/zinc/53/69/81/1192536981.db2.gz VGFNQUNNWYBBTL-UHFFFAOYSA-N -1 3 320.356 3.018 20 30 DGEDHM CCOCc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001590816935 1192536986 /nfs/dbraw/zinc/53/69/86/1192536986.db2.gz VGFNQUNNWYBBTL-UHFFFAOYSA-N -1 3 320.356 3.018 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590834746 1192537084 /nfs/dbraw/zinc/53/70/84/1192537084.db2.gz VBYUYMLRQPGHGY-WDZFZDKYSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590834746 1192537087 /nfs/dbraw/zinc/53/70/87/1192537087.db2.gz VBYUYMLRQPGHGY-WDZFZDKYSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001590837702 1192540121 /nfs/dbraw/zinc/54/01/21/1192540121.db2.gz SQGSCUAJBKCBHW-LFYBBSHMSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001590837702 1192540128 /nfs/dbraw/zinc/54/01/28/1192540128.db2.gz SQGSCUAJBKCBHW-LFYBBSHMSA-N -1 3 320.352 3.162 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001590884470 1192553895 /nfs/dbraw/zinc/55/38/95/1192553895.db2.gz CZUIZGXGAGXBKS-WEVVVXLNSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001590884470 1192553898 /nfs/dbraw/zinc/55/38/98/1192553898.db2.gz CZUIZGXGAGXBKS-WEVVVXLNSA-N -1 3 310.382 3.387 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CNc1ccc(CC#N)cc1 ZINC001591849317 1192574496 /nfs/dbraw/zinc/57/44/96/1192574496.db2.gz VVGCKKROHQIAND-UHFFFAOYSA-N -1 3 318.384 3.162 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CNc1ccc(CC#N)cc1 ZINC001591849317 1192574498 /nfs/dbraw/zinc/57/44/98/1192574498.db2.gz VVGCKKROHQIAND-UHFFFAOYSA-N -1 3 318.384 3.162 20 30 DGEDHM Cc1cc(C)cc(NN=C2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC001591954668 1192581161 /nfs/dbraw/zinc/58/11/61/1192581161.db2.gz WKOGNUIZGSMELE-UHFFFAOYSA-N -1 3 318.384 3.246 20 30 DGEDHM Cc1cc(C)cc(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC001591954668 1192581165 /nfs/dbraw/zinc/58/11/65/1192581165.db2.gz WKOGNUIZGSMELE-UHFFFAOYSA-N -1 3 318.384 3.246 20 30 DGEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(C)n1C1CC1 ZINC001591958651 1192583021 /nfs/dbraw/zinc/58/30/21/1192583021.db2.gz IXJWZNRXTKCVQR-UHFFFAOYSA-N -1 3 321.388 3.066 20 30 DGEDHM Cc1cc(C=C2CCc3ccccc3C2=O)ccc1-c1nnn[n-]1 ZINC001591960038 1192584102 /nfs/dbraw/zinc/58/41/02/1192584102.db2.gz YJWCDDBBGSPIJW-RVDMUPIBSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1cc(C=C2CCc3ccccc3C2=O)ccc1-c1nn[n-]n1 ZINC001591960038 1192584105 /nfs/dbraw/zinc/58/41/05/1192584105.db2.gz YJWCDDBBGSPIJW-RVDMUPIBSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc(Cl)c(Oc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001592170983 1192598944 /nfs/dbraw/zinc/59/89/44/1192598944.db2.gz VQFGRWSBXRBKTA-UHFFFAOYSA-N -1 3 311.732 3.493 20 30 DGEDHM Cc1ccc(Cl)c(Oc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001592170983 1192598948 /nfs/dbraw/zinc/59/89/48/1192598948.db2.gz VQFGRWSBXRBKTA-UHFFFAOYSA-N -1 3 311.732 3.493 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC1CC(c2ccccc2)C1 ZINC001592698802 1192626304 /nfs/dbraw/zinc/62/63/04/1192626304.db2.gz IRVVTCIIXFLNEM-UHFFFAOYSA-N -1 3 316.368 3.096 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC1CC(c2ccccc2)C1 ZINC001592698802 1192626309 /nfs/dbraw/zinc/62/63/09/1192626309.db2.gz IRVVTCIIXFLNEM-UHFFFAOYSA-N -1 3 316.368 3.096 20 30 DGEDHM N#CCC[C@H](Nc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001592675606 1192626360 /nfs/dbraw/zinc/62/63/60/1192626360.db2.gz XQPCOCRHWMYWRK-HNNXBMFYSA-N -1 3 322.347 3.463 20 30 DGEDHM N#CCC[C@H](Nc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001592675606 1192626362 /nfs/dbraw/zinc/62/63/62/1192626362.db2.gz XQPCOCRHWMYWRK-HNNXBMFYSA-N -1 3 322.347 3.463 20 30 DGEDHM N#Cc1sccc1-c1cc(-c2nnn[n-]2)cc(N2CCCC2)c1 ZINC001592711984 1192627733 /nfs/dbraw/zinc/62/77/33/1192627733.db2.gz SWVRKQDPVBVQAL-UHFFFAOYSA-N -1 3 322.397 3.067 20 30 DGEDHM N#Cc1sccc1-c1cc(-c2nn[n-]n2)cc(N2CCCC2)c1 ZINC001592711984 1192627734 /nfs/dbraw/zinc/62/77/34/1192627734.db2.gz SWVRKQDPVBVQAL-UHFFFAOYSA-N -1 3 322.397 3.067 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1c[nH]c2ccccc12 ZINC001592792145 1192627823 /nfs/dbraw/zinc/62/78/23/1192627823.db2.gz WOQILBPUOVRRCE-YFHOEESVSA-N -1 3 315.336 3.244 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2ccccc12 ZINC001592792145 1192627827 /nfs/dbraw/zinc/62/78/27/1192627827.db2.gz WOQILBPUOVRRCE-YFHOEESVSA-N -1 3 315.336 3.244 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@H]2NCc1csc(C(=O)[O-])c1 ZINC001601115777 1192919776 /nfs/dbraw/zinc/91/97/76/1192919776.db2.gz UNQMHRUHCAKKPW-OAHLLOKOSA-N -1 3 312.394 3.485 20 30 DGEDHM N#Cc1cccc([C@H](N[C@H]2CCc3c2cccc3F)C(=O)[O-])c1 ZINC001601119427 1192919966 /nfs/dbraw/zinc/91/99/66/1192919966.db2.gz QDTFXUFWHPYYLH-IRXDYDNUSA-N -1 3 310.328 3.100 20 30 DGEDHM O=C([O-])[C@@H](NCC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC001601669179 1192937080 /nfs/dbraw/zinc/93/70/80/1192937080.db2.gz OELPQVSMMMVUAA-INIZCTEOSA-N -1 3 305.805 3.315 20 30 DGEDHM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2cccc(F)n2)ccn1 ZINC001344025096 1179366707 /nfs/dbraw/zinc/36/67/07/1179366707.db2.gz YHAQEIRQUOJPBE-DGCLKSJQSA-N -1 3 313.332 3.283 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cccc(C(F)F)c1F ZINC001346096784 1179652689 /nfs/dbraw/zinc/65/26/89/1179652689.db2.gz USUIFSLPKAXVGI-LLVKDONJSA-N -1 3 307.275 3.470 20 30 DGEDHM C#CCCCCCC(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC001349990802 1179992681 /nfs/dbraw/zinc/99/26/81/1179992681.db2.gz AFYLZLRNNLTRAH-UHFFFAOYSA-N -1 3 314.341 3.069 20 30 DGEDHM C=C(CC)CNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001602767690 1192997188 /nfs/dbraw/zinc/99/71/88/1192997188.db2.gz KIRKJTVBUIWYEK-UHFFFAOYSA-N -1 3 314.780 3.446 20 30 DGEDHM C=C(CC)CNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001602767690 1192997193 /nfs/dbraw/zinc/99/71/93/1192997193.db2.gz KIRKJTVBUIWYEK-UHFFFAOYSA-N -1 3 314.780 3.446 20 30 DGEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001602852468 1193000299 /nfs/dbraw/zinc/00/02/99/1193000299.db2.gz QMRCUTVOJNUIIU-UHFFFAOYSA-N -1 3 309.348 3.198 20 30 DGEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001602852468 1193000303 /nfs/dbraw/zinc/00/03/03/1193000303.db2.gz QMRCUTVOJNUIIU-UHFFFAOYSA-N -1 3 309.348 3.198 20 30 DGEDHM CC(C)(C#N)CCCN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001603229696 1193011547 /nfs/dbraw/zinc/01/15/47/1193011547.db2.gz DGULXYIYRXVMKG-UHFFFAOYSA-N -1 3 304.365 3.212 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccccc1-c1nnn[n-]1 ZINC001603826861 1193033745 /nfs/dbraw/zinc/03/37/45/1193033745.db2.gz OIMPUHADINLKOX-YAFRSCOQSA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccccc1-c1nn[n-]n1 ZINC001603826861 1193033747 /nfs/dbraw/zinc/03/37/47/1193033747.db2.gz OIMPUHADINLKOX-YAFRSCOQSA-N -1 3 302.337 3.250 20 30 DGEDHM CCN(C(=O)c1cnc2ccccc2c1[O-])c1ccc(C#N)cc1 ZINC001354119246 1180724676 /nfs/dbraw/zinc/72/46/76/1180724676.db2.gz OWUNKWYWYYVKKS-UHFFFAOYSA-N -1 3 317.348 3.066 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001604457151 1193073780 /nfs/dbraw/zinc/07/37/80/1193073780.db2.gz HFFIEQHFSQLWMR-XFXZXTDPSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001604457151 1193073782 /nfs/dbraw/zinc/07/37/82/1193073782.db2.gz HFFIEQHFSQLWMR-XFXZXTDPSA-N -1 3 320.352 3.162 20 30 DGEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1n[nH]cc1F ZINC001443912217 1182111279 /nfs/dbraw/zinc/11/12/79/1182111279.db2.gz OOGSVZVDONYAQW-VIFPVBQESA-N -1 3 304.350 3.195 20 30 DGEDHM CC(=O)c1cccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)c1[O-] ZINC001450599130 1182252906 /nfs/dbraw/zinc/25/29/06/1182252906.db2.gz NZZMKBBATWZUOF-UHFFFAOYSA-N -1 3 322.364 3.383 20 30 DGEDHM CCCCCCCC(=O)Nc1cc(C(=O)OC)cc(OC)c1[O-] ZINC001456745445 1182429019 /nfs/dbraw/zinc/42/90/19/1182429019.db2.gz KPQVUHZCWXHEKD-UHFFFAOYSA-N -1 3 323.389 3.486 20 30 DGEDHM Cc1cc(C)c(C=NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC001605640985 1193162085 /nfs/dbraw/zinc/16/20/85/1193162085.db2.gz NWHFYCGDKUQYTK-UHFFFAOYSA-N -1 3 306.373 3.238 20 30 DGEDHM Cc1cc(C)c(C=NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC001605640985 1193162086 /nfs/dbraw/zinc/16/20/86/1193162086.db2.gz NWHFYCGDKUQYTK-UHFFFAOYSA-N -1 3 306.373 3.238 20 30 DGEDHM O=C(c1ccnc(C(F)(F)F)c1)N([O-])Cc1ccc(F)cc1 ZINC001458017430 1182489558 /nfs/dbraw/zinc/48/95/58/1182489558.db2.gz QCZPQPCUPXSYKW-UHFFFAOYSA-N -1 3 314.238 3.271 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001458012411 1182489931 /nfs/dbraw/zinc/48/99/31/1182489931.db2.gz VFNUEYAXAZDXII-UHFFFAOYSA-N -1 3 312.341 3.465 20 30 DGEDHM O=C(c1ccc2ncsc2c1)N([O-])Cc1ccc(F)cc1 ZINC001458019739 1182490154 /nfs/dbraw/zinc/49/01/54/1182490154.db2.gz YTTOKYNRPRHMBF-UHFFFAOYSA-N -1 3 302.330 3.467 20 30 DGEDHM CC(C)(C(=O)N([O-])Cc1cccc2ccccc21)c1cnc[nH]1 ZINC001458017398 1182490466 /nfs/dbraw/zinc/49/04/66/1182490466.db2.gz PYKGVRYVKPXFTQ-UHFFFAOYSA-N -1 3 309.369 3.259 20 30 DGEDHM CCCCN([O-])C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC001458026064 1182491054 /nfs/dbraw/zinc/49/10/54/1182491054.db2.gz XGUKELAPCYDSTO-UHFFFAOYSA-N -1 3 301.390 3.429 20 30 DGEDHM CCS[C@@H]1CCCC[C@@H]1NCc1cccc(C(=O)[O-])c1C#N ZINC001605741117 1193167958 /nfs/dbraw/zinc/16/79/58/1193167958.db2.gz KTRXDDZMKSFMEK-JKSUJKDBSA-N -1 3 318.442 3.410 20 30 DGEDHM C=CCCO[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001470616970 1183500573 /nfs/dbraw/zinc/50/05/73/1183500573.db2.gz UFTXPELMMXWUHA-UHFFFAOYSA-N -1 3 323.107 3.278 20 30 DGEDHM O=C(c1cc(C(F)F)n[nH]1)N([O-])Cc1ccccc1Cl ZINC001472620038 1183656688 /nfs/dbraw/zinc/65/66/88/1183656688.db2.gz MAVWJDIPXWEDLT-UHFFFAOYSA-N -1 3 301.680 3.032 20 30 DGEDHM CCc1c(C(=O)N([O-])Cc2cccc3ccccc32)cnn1C ZINC001472622077 1183658069 /nfs/dbraw/zinc/65/80/69/1183658069.db2.gz DXPWICJPIZYFRR-UHFFFAOYSA-N -1 3 309.369 3.167 20 30 DGEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1Cl ZINC001608207626 1193282998 /nfs/dbraw/zinc/28/29/98/1193282998.db2.gz NWWUUYDERWAJQS-ZDUSSCGKSA-N -1 3 306.774 3.189 20 30 DGEDHM C=CCC1(C(=O)OCc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001609053398 1193322103 /nfs/dbraw/zinc/32/21/03/1193322103.db2.gz JOZJUARIGILREQ-UHFFFAOYSA-N -1 3 312.373 3.046 20 30 DGEDHM C=CCC1(C(=O)OCc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001609053398 1193322106 /nfs/dbraw/zinc/32/21/06/1193322106.db2.gz JOZJUARIGILREQ-UHFFFAOYSA-N -1 3 312.373 3.046 20 30 DGEDHM CC(=NNc1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC001609061192 1193322645 /nfs/dbraw/zinc/32/26/45/1193322645.db2.gz KIOWGFMMVGCBSQ-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(=NNc1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC001609061192 1193322646 /nfs/dbraw/zinc/32/26/46/1193322646.db2.gz KIOWGFMMVGCBSQ-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(CCc1cccc(F)c1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609111891 1193325324 /nfs/dbraw/zinc/32/53/24/1193325324.db2.gz LVBHANXCUUKENO-UHFFFAOYSA-N -1 3 324.363 3.426 20 30 DGEDHM CC(CCc1cccc(F)c1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609111891 1193325327 /nfs/dbraw/zinc/32/53/27/1193325327.db2.gz LVBHANXCUUKENO-UHFFFAOYSA-N -1 3 324.363 3.426 20 30 DGEDHM CCCCN([O-])C(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001654821316 1195843743 /nfs/dbraw/zinc/84/37/43/1195843743.db2.gz CVCBLROBMSRKQE-ZDUSSCGKSA-N -1 3 314.426 3.184 20 30 DGEDHM CCCCCCCCOC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001609209076 1193331625 /nfs/dbraw/zinc/33/16/25/1193331625.db2.gz KIHUDXXIFWGOIC-UHFFFAOYSA-N -1 3 317.393 3.087 20 30 DGEDHM CCCCCCCCOC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001609209076 1193331628 /nfs/dbraw/zinc/33/16/28/1193331628.db2.gz KIHUDXXIFWGOIC-UHFFFAOYSA-N -1 3 317.393 3.087 20 30 DGEDHM CCc1cccc(F)c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001609253089 1193332986 /nfs/dbraw/zinc/33/29/86/1193332986.db2.gz OIIYDTDBPZCZOY-UHFFFAOYSA-N -1 3 310.336 3.014 20 30 DGEDHM CCOc1ccc(C=Nc2cc(-c3nn[n-]n3)ccc2C)c(O)c1 ZINC001609244495 1193332485 /nfs/dbraw/zinc/33/24/85/1193332485.db2.gz GJMJKONAANEGEG-UHFFFAOYSA-N -1 3 323.356 3.030 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC001609252375 1193333121 /nfs/dbraw/zinc/33/31/21/1193333121.db2.gz UDWZUIVHFONZCD-SOFGYWHQSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC001609252375 1193333126 /nfs/dbraw/zinc/33/31/26/1193333126.db2.gz UDWZUIVHFONZCD-SOFGYWHQSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC001609252376 1193333287 /nfs/dbraw/zinc/33/32/87/1193333287.db2.gz UDWZUIVHFONZCD-VURMDHGXSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC001609252376 1193333289 /nfs/dbraw/zinc/33/32/89/1193333289.db2.gz UDWZUIVHFONZCD-VURMDHGXSA-N -1 3 310.382 3.387 20 30 DGEDHM Cc1cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC001609393229 1193335634 /nfs/dbraw/zinc/33/56/34/1193335634.db2.gz HODWWOHTBDOQLC-VOTSOKGWSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC001609393229 1193335636 /nfs/dbraw/zinc/33/56/36/1193335636.db2.gz HODWWOHTBDOQLC-VOTSOKGWSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)oc1C ZINC001609399785 1193336151 /nfs/dbraw/zinc/33/61/51/1193336151.db2.gz ODVVRCSWDWBRRE-ALCCZGGFSA-N -1 3 308.341 3.281 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)oc1C ZINC001609399785 1193336154 /nfs/dbraw/zinc/33/61/54/1193336154.db2.gz ODVVRCSWDWBRRE-ALCCZGGFSA-N -1 3 308.341 3.281 20 30 DGEDHM Cc1cc(C#N)ccc1CSc1ccccc1-c1nnn[n-]1 ZINC001609393317 1193336590 /nfs/dbraw/zinc/33/65/90/1193336590.db2.gz NKOFBHMRUZBBOG-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cc(C#N)ccc1CSc1ccccc1-c1nn[n-]n1 ZINC001609393317 1193336592 /nfs/dbraw/zinc/33/65/92/1193336592.db2.gz NKOFBHMRUZBBOG-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC001609417368 1193337771 /nfs/dbraw/zinc/33/77/71/1193337771.db2.gz LFDOLJFMPKSORM-VQHVLOKHSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC001609417368 1193337772 /nfs/dbraw/zinc/33/77/72/1193337772.db2.gz LFDOLJFMPKSORM-VQHVLOKHSA-N -1 3 304.353 3.380 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1F ZINC001609517954 1193343748 /nfs/dbraw/zinc/34/37/48/1193343748.db2.gz WUQUAXYAVGINTH-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1F ZINC001609517954 1193343751 /nfs/dbraw/zinc/34/37/51/1193343751.db2.gz WUQUAXYAVGINTH-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM Cc1ccc(-c2nc(NC(=O)[C@H](CC#N)c3ccccc3)n[n-]2)o1 ZINC001611005466 1193419258 /nfs/dbraw/zinc/41/92/58/1193419258.db2.gz PLMDODHUUOIXNN-CYBMUJFWSA-N -1 3 321.340 3.009 20 30 DGEDHM C#Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001611642369 1193439110 /nfs/dbraw/zinc/43/91/10/1193439110.db2.gz ONVBGWOOWORTFV-UHFFFAOYSA-N -1 3 321.163 3.401 20 30 DGEDHM O=C(c1n[nH]c2c1CCCCC2)N([O-])Cc1ccccc1Cl ZINC001611650830 1193439376 /nfs/dbraw/zinc/43/93/76/1193439376.db2.gz LUTPTOHALXMOMW-UHFFFAOYSA-N -1 3 319.792 3.364 20 30 DGEDHM O=C(c1cccc2scnc21)N([O-])Cc1ccc(F)cc1 ZINC001611667156 1193439790 /nfs/dbraw/zinc/43/97/90/1193439790.db2.gz QQKSGJLIAKAKQO-UHFFFAOYSA-N -1 3 302.330 3.467 20 30 DGEDHM C#CCC1(N[C@H](C(=O)[O-])c2ccccc2Br)CCC1 ZINC001602699642 1186788676 /nfs/dbraw/zinc/78/86/76/1186788676.db2.gz FXIYNKRRNACYPJ-ZDUSSCGKSA-N -1 3 322.202 3.110 20 30 DGEDHM COc1cc(F)c(C(=O)[N-]c2scc(C)c2C#N)c(F)c1 ZINC001520916135 1186979623 /nfs/dbraw/zinc/97/96/23/1186979623.db2.gz OAMZBTIQPVEBQI-UHFFFAOYSA-N -1 3 308.309 3.467 20 30 DGEDHM N#Cc1cnc(NCc2cc(=O)[n-]c(C3CC3)n2)c2sccc21 ZINC001612912519 1193464229 /nfs/dbraw/zinc/46/42/29/1193464229.db2.gz GJZXTCKZAISGQJ-UHFFFAOYSA-N -1 3 323.381 3.153 20 30 DGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc3c(o2)CCCC3)c1 ZINC001524030033 1187210249 /nfs/dbraw/zinc/21/02/49/1187210249.db2.gz WDINPSAPJZNNOX-OAHLLOKOSA-N -1 3 322.364 3.428 20 30 DGEDHM N#Cc1cc([N-]C(=O)c2ocnc2C(F)F)nc2ccccc12 ZINC001525446549 1187314338 /nfs/dbraw/zinc/31/43/38/1187314338.db2.gz CVDJKLMAAUHOBP-UHFFFAOYSA-N -1 3 314.251 3.284 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)/C=C/c2ccc(Cl)s2)c1 ZINC001557922257 1189092690 /nfs/dbraw/zinc/09/26/90/1189092690.db2.gz GURCZCWLODZPRU-FNORWQNLSA-N -1 3 304.758 3.397 20 30 DGEDHM O=C(c1ocnc1C1CC1)N([O-])CCCCc1ccccc1 ZINC001559034262 1189163907 /nfs/dbraw/zinc/16/39/07/1189163907.db2.gz SSTAJDRJJHBFMW-UHFFFAOYSA-N -1 3 300.358 3.406 20 30 DGEDHM Cc1cccc([O-])c1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001568095963 1190418504 /nfs/dbraw/zinc/41/85/04/1190418504.db2.gz WTAYJIAEIHQGMK-UHFFFAOYSA-N -1 3 300.745 3.156 20 30 DGEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC001622539755 1193904578 /nfs/dbraw/zinc/90/45/78/1193904578.db2.gz OPRRAAUBCORBBB-UHFFFAOYSA-N -1 3 319.348 3.129 20 30 DGEDHM C=CC[C@H](C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC001626457718 1194078267 /nfs/dbraw/zinc/07/82/67/1194078267.db2.gz GTSDYHHXDXZCLY-ZDUSSCGKSA-N -1 3 308.341 3.363 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC001628314585 1194172154 /nfs/dbraw/zinc/17/21/54/1194172154.db2.gz VCSRAXDESOKSLQ-UHFFFAOYSA-N -1 3 311.381 3.432 20 30 DGEDHM C#C[C@H](NC(=O)c1ccc(OC)cc1[O-])c1ccc(Cl)cc1 ZINC001638458478 1194720057 /nfs/dbraw/zinc/72/00/57/1194720057.db2.gz ARJHTOONECDPPM-HNNXBMFYSA-N -1 3 315.756 3.159 20 30 DGEDHM Nc1cc(C(=O)N([O-])Cc2ccccc2Cl)cc(Cl)n1 ZINC001639054639 1194748096 /nfs/dbraw/zinc/74/80/96/1194748096.db2.gz UPGNIBYKKRFGGN-UHFFFAOYSA-N -1 3 312.156 3.002 20 30 DGEDHM O=C(COCC1CCCC1)N([O-])CCCCc1ccccc1 ZINC001639062674 1194749413 /nfs/dbraw/zinc/74/94/13/1194749413.db2.gz YMYWLQXELLPOEL-UHFFFAOYSA-N -1 3 305.418 3.434 20 30 DGEDHM C#Cc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)c(Cl)c1 ZINC001639821728 1194783009 /nfs/dbraw/zinc/78/30/09/1194783009.db2.gz LFBZERYHCZMNBJ-UHFFFAOYSA-N 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C#Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC001573290577 946908068 /nfs/dbraw/zinc/90/80/68/946908068.db2.gz LSAMWIXUWSIIQK-UHFFFAOYSA-N -1 3 315.789 3.175 20 30 DGEDHM C#Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC001573290577 946908073 /nfs/dbraw/zinc/90/80/73/946908073.db2.gz LSAMWIXUWSIIQK-UHFFFAOYSA-N -1 3 315.789 3.175 20 30 DGEDHM CC(C)(C)[C@H](C(=O)[O-])C(=O)C(C#N)c1nc2ccccc2s1 ZINC001588630818 959605540 /nfs/dbraw/zinc/60/55/40/959605540.db2.gz HWHPVJYLQUCBSZ-CABZTGNLSA-N -1 3 316.382 3.219 20 30 DGEDHM C=C[C@@H](C(=O)[O-])N(C)Cc1ccccc1OCc1ccccc1 ZINC001573345601 962936758 /nfs/dbraw/zinc/93/67/58/962936758.db2.gz XKPZNRFSUIXUHM-KRWDZBQOSA-N -1 3 311.381 3.337 20 30 DGEDHM CC(C)c1[nH]c(CNCc2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC001591918018 976381466 /nfs/dbraw/zinc/38/14/66/976381466.db2.gz KIJDEFMZDBSRNF-UHFFFAOYSA-N -1 3 311.385 3.192 20 30 DGEDHM C[C@H](CCCc1cccnc1)NCc1cccc(C(=O)[O-])c1C#N ZINC001592490642 978282122 /nfs/dbraw/zinc/28/21/22/978282122.db2.gz 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N#C[C@H](Oc1ncc(Br)cc1[O-])c1ccccc1 ZINC001228955802 1087021998 /nfs/dbraw/zinc/02/19/98/1087021998.db2.gz MECTZHXBAQUJFB-LBPRGKRZSA-N -1 3 305.131 3.193 20 30 DGEDHM CCOC(=O)c1ccc(OC)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001211979021 1087116478 /nfs/dbraw/zinc/11/64/78/1087116478.db2.gz LUOPOTCSEDDYJD-UHFFFAOYSA-N -1 3 312.325 3.193 20 30 DGEDHM Cc1cc2cccnc2c(C(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001154200243 1088508641 /nfs/dbraw/zinc/50/86/41/1088508641.db2.gz WWBFVTOUWWNYHV-UHFFFAOYSA-N -1 3 303.321 3.373 20 30 DGEDHM CCC1(NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)CCCCC1 ZINC001154559449 1088653446 /nfs/dbraw/zinc/65/34/46/1088653446.db2.gz MCMJZDZKDUUHKD-UHFFFAOYSA-N -1 3 323.396 3.242 20 30 DGEDHM CO[C@@H]1CCC[C@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC001161819416 1089422503 /nfs/dbraw/zinc/42/25/03/1089422503.db2.gz SOBBKZZLTHCZMN-DLBZAZTESA-N -1 3 305.418 3.432 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001161826519 1089427977 /nfs/dbraw/zinc/42/79/77/1089427977.db2.gz DIYBKKDDFCBFOJ-LSDHHAIUSA-N -1 3 312.454 3.069 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C ZINC001161833013 1089433376 /nfs/dbraw/zinc/43/33/76/1089433376.db2.gz XFGRBAFCZFCRBW-QWHCGFSZSA-N -1 3 316.442 3.190 20 30 DGEDHM N#Cc1sc(NCCc2c(F)cc([O-])cc2F)nc1Cl ZINC001164212446 1090372579 /nfs/dbraw/zinc/37/25/79/1090372579.db2.gz QTLBHWFVZPAPHP-UHFFFAOYSA-N -1 3 315.732 3.307 20 30 DGEDHM O=C([C@@H]1COc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001649051595 1090578553 /nfs/dbraw/zinc/57/85/53/1090578553.db2.gz CEPHHEWYHRJKCZ-QGZVFWFLSA-N -1 3 311.381 3.403 20 30 DGEDHM N#Cc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)[nH]1 ZINC001161782802 1091002812 /nfs/dbraw/zinc/00/28/12/1091002812.db2.gz AFGWWQDVVVKBLZ-UHFFFAOYSA-N -1 3 310.140 3.225 20 30 DGEDHM C#CCN(Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC001205882280 1091392361 /nfs/dbraw/zinc/39/23/61/1091392361.db2.gz KKDQSGLCICTANH-UHFFFAOYSA-N -1 3 314.610 3.406 20 30 DGEDHM N#Cc1ccc(CO[N-]C(=O)CCCc2ccccc2)s1 ZINC001119603185 1091563340 /nfs/dbraw/zinc/56/33/40/1091563340.db2.gz JXJWXECHAJCTJL-UHFFFAOYSA-N -1 3 300.383 3.190 20 30 DGEDHM N#Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])co1 ZINC001296453300 1091741191 /nfs/dbraw/zinc/74/11/91/1091741191.db2.gz FVURPAQCUKJQCZ-UHFFFAOYSA-N -1 3 312.203 3.008 20 30 DGEDHM CC/C=C(\C)C(=O)Nc1c(C)c([O-])c(C(=O)OCC)cc1C#N ZINC001142670147 1092524661 /nfs/dbraw/zinc/52/46/61/1092524661.db2.gz UFFRUBUIDYCNBD-JXMROGBWSA-N -1 3 316.357 3.044 20 30 DGEDHM COC(=O)[C@H](CC1CCCCC1)Nc1cccc(/C=N/[O-])c1 ZINC001169165287 1092574368 /nfs/dbraw/zinc/57/43/68/1092574368.db2.gz SJHNMMJMXTUHPG-IQFISFIMSA-N -1 3 304.390 3.419 20 30 DGEDHM C=CCn1cnc2c1ncnc2Nc1ccc(Cl)c([O-])c1 ZINC001212590212 1092686540 /nfs/dbraw/zinc/68/65/40/1092686540.db2.gz AFEHACJBFJVQBK-UHFFFAOYSA-N -1 3 301.737 3.115 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc2c(s1)CCCC2 ZINC001150815081 1092828751 /nfs/dbraw/zinc/82/87/51/1092828751.db2.gz SGSMPALSUBGODQ-UHFFFAOYSA-N -1 3 315.398 3.066 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)CCSc2ccc(F)cc2)c1 ZINC001151426466 1092896743 /nfs/dbraw/zinc/89/67/43/1092896743.db2.gz ZDUZALFMZWOGQD-UHFFFAOYSA-N -1 3 316.357 3.290 20 30 DGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc2ccc[nH]c-2n1 ZINC001151539596 1092919136 /nfs/dbraw/zinc/91/91/36/1092919136.db2.gz QBQCUQVHAKBCLK-UHFFFAOYSA-N -1 3 302.293 3.433 20 30 DGEDHM Nc1ccccc1C(=Nc1ccc([O-])c(C(F)(F)F)c1)NO ZINC001209987501 1093006723 /nfs/dbraw/zinc/00/67/23/1093006723.db2.gz PQWDWPIHFFOWME-UHFFFAOYSA-N -1 3 311.263 3.050 20 30 DGEDHM COc1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1C#N ZINC001210120272 1093048550 /nfs/dbraw/zinc/04/85/50/1093048550.db2.gz AUUYBTNQZZILFQ-UHFFFAOYSA-N -1 3 306.325 3.202 20 30 DGEDHM COc1cccc(Nc2nc(Br)ccc2[O-])c1C#N ZINC001210118474 1093048645 /nfs/dbraw/zinc/04/86/45/1093048645.db2.gz AWKIIAKKTNPTQL-UHFFFAOYSA-N -1 3 320.146 3.174 20 30 DGEDHM COC(=O)c1c(C)ccc(Nc2ccc([O-])c(C#N)c2)c1F ZINC001210536390 1093200035 /nfs/dbraw/zinc/20/00/35/1093200035.db2.gz QGADCUBJXSVVPN-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM CC(C)(C)OC(=O)c1ncccc1Nc1cc(C#N)ccc1[O-] ZINC001210958998 1093338648 /nfs/dbraw/zinc/33/86/48/1093338648.db2.gz IFBWFCVWIOINAI-UHFFFAOYSA-N -1 3 311.341 3.358 20 30 DGEDHM COc1cc([O-])ccc1-c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001217085959 1094303215 /nfs/dbraw/zinc/30/32/15/1094303215.db2.gz WVHIMTVQBXFBQI-UHFFFAOYSA-N -1 3 311.272 3.129 20 30 DGEDHM CC(C)c1oncc1[N-]C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC001337356962 1094943866 /nfs/dbraw/zinc/94/38/66/1094943866.db2.gz NDODEHKABXLAJC-UHFFFAOYSA-N -1 3 324.262 3.336 20 30 DGEDHM C=CCN(Cc1ccccc1F)C(=O)Cc1ccc([O-])c(F)c1 ZINC001136364343 1095003598 /nfs/dbraw/zinc/00/35/98/1095003598.db2.gz CPHVBGDBTANSJS-UHFFFAOYSA-N -1 3 317.335 3.428 20 30 DGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC[C@H]3C)n2C)c1[O-] ZINC001338685593 1095362202 /nfs/dbraw/zinc/36/22/02/1095362202.db2.gz BZPCGGWZAPJNMI-CYBMUJFWSA-N -1 3 312.417 3.295 20 30 DGEDHM CC(C)CC[C@@H]1CCC[C@H]1/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001116009007 1095436231 /nfs/dbraw/zinc/43/62/31/1095436231.db2.gz LLDCHNJXYIIUOF-DZGCQCFKSA-N -1 3 320.458 3.330 20 30 DGEDHM C=CCN(CC=C)Cc1cc(Br)c(F)cc1[O-] ZINC001144306783 1095600309 /nfs/dbraw/zinc/60/03/09/1095600309.db2.gz QDUPTHXAUUSFAR-UHFFFAOYSA-N -1 3 300.171 3.468 20 30 DGEDHM C#C[C@@H](CC)O[C@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223403468 1095959894 /nfs/dbraw/zinc/95/98/94/1095959894.db2.gz MJJUJFOLVFJEKV-VFZGTOFNSA-N -1 3 324.739 3.097 20 30 DGEDHM C#C[C@@H](CC)O[C@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223403468 1095959900 /nfs/dbraw/zinc/95/99/00/1095959900.db2.gz MJJUJFOLVFJEKV-VFZGTOFNSA-N -1 3 324.739 3.097 20 30 DGEDHM CC(C)Oc1ncc(Cl)cc1CO/C(=N\[O-])c1ccccn1 ZINC001223981042 1096109902 /nfs/dbraw/zinc/10/99/02/1096109902.db2.gz KQODSFQGZOHUGG-CYVLTUHYSA-N -1 3 321.764 3.270 20 30 DGEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC001148224619 1096329520 /nfs/dbraw/zinc/32/95/20/1096329520.db2.gz QYODRCMJPDEGFP-GFCCVEGCSA-N -1 3 313.353 3.154 20 30 DGEDHM C#C[C@@H](CC)Oc1cc(C)cc([O-])c1I ZINC001225510654 1096454541 /nfs/dbraw/zinc/45/45/41/1096454541.db2.gz KZHXNHVMBQYHEM-VIFPVBQESA-N -1 3 316.138 3.096 20 30 DGEDHM COc1ccc(OC)c([C@@H](C)Oc2[n-]c(C)cc(=O)c2C#N)c1 ZINC001225469403 1096440105 /nfs/dbraw/zinc/44/01/05/1096440105.db2.gz JJVWGQHLWKKTGS-LLVKDONJSA-N -1 3 314.341 3.125 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCCc3c(Cl)ccnc32)[n-]1 ZINC001225468313 1096440438 /nfs/dbraw/zinc/44/04/38/1096440438.db2.gz OMCSZXPKDMZNSE-AWEZNQCLSA-N -1 3 315.760 3.472 20 30 DGEDHM CC[C@@H](C#Cc1ccccc1)Oc1cc(COC)nc(=S)[n-]1 ZINC001225938786 1096569216 /nfs/dbraw/zinc/56/92/16/1096569216.db2.gz SQDRPSQYYRRFCY-HNNXBMFYSA-N -1 3 314.410 3.121 20 30 DGEDHM C[C@@H](C#C[Si](C)(C)C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226599245 1096730519 /nfs/dbraw/zinc/73/05/19/1096730519.db2.gz KIAYBJVPGIAFHH-NSHDSACASA-N -1 3 302.402 3.147 20 30 DGEDHM CCCCCCC[C@H](CC)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227431210 1096931092 /nfs/dbraw/zinc/93/10/92/1096931092.db2.gz SIQJIBPJPVUHIP-JTQLQIEISA-N -1 3 308.382 3.282 20 30 DGEDHM CCCCCCC[C@H](CC)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227431210 1096931096 /nfs/dbraw/zinc/93/10/96/1096931096.db2.gz SIQJIBPJPVUHIP-JTQLQIEISA-N -1 3 308.382 3.282 20 30 DGEDHM CCOC(=O)c1ccc2[n-]c(O[C@@H](C#N)c3ccccc3)nc2c1 ZINC001227702453 1096972636 /nfs/dbraw/zinc/97/26/36/1096972636.db2.gz SIRUPKUHUGLFNJ-INIZCTEOSA-N -1 3 321.336 3.383 20 30 DGEDHM C#C[C@@H](Oc1ncc(Br)cc1[O-])c1ccccc1 ZINC001228956478 1097226391 /nfs/dbraw/zinc/22/63/91/1097226391.db2.gz POZCVOHDIZCLPL-CYBMUJFWSA-N -1 3 304.143 3.303 20 30 DGEDHM N#CC1CCC(Oc2cc(O)cc([O-])c2Br)CC1 ZINC001229101098 1097255474 /nfs/dbraw/zinc/25/54/74/1097255474.db2.gz YHTJJZDMTWVYPC-UHFFFAOYSA-N -1 3 312.163 3.321 20 30 DGEDHM C#C[C@@H](Oc1cccc([O-])c1Br)c1ccncc1 ZINC001229142901 1097263378 /nfs/dbraw/zinc/26/33/78/1097263378.db2.gz RYDJIJMMYKKOMC-GFCCVEGCSA-N -1 3 304.143 3.303 20 30 DGEDHM C=C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC001229342892 1097301406 /nfs/dbraw/zinc/30/14/06/1097301406.db2.gz VMADMSGVYXCAFC-CQSZACIVSA-N -1 3 308.341 3.181 20 30 DGEDHM C=C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC001229342892 1097301414 /nfs/dbraw/zinc/30/14/14/1097301414.db2.gz VMADMSGVYXCAFC-CQSZACIVSA-N -1 3 308.341 3.181 20 30 DGEDHM Cc1cccc2c(O[C@H](C#N)c3ccccc3F)[n-]c(=O)nc12 ZINC001229408935 1097315493 /nfs/dbraw/zinc/31/54/93/1097315493.db2.gz YYFLAKZWSMZHMA-CQSZACIVSA-N -1 3 309.300 3.427 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)(C)O1 ZINC001229950629 1097417188 /nfs/dbraw/zinc/41/71/88/1097417188.db2.gz NEBWBYYMZYKLDU-PBHICJAKSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)(C)O1 ZINC001229950629 1097417193 /nfs/dbraw/zinc/41/71/93/1097417193.db2.gz NEBWBYYMZYKLDU-PBHICJAKSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccccc2-c2nnn[n-]2)O1 ZINC001229954768 1097417479 /nfs/dbraw/zinc/41/74/79/1097417479.db2.gz OYSKUJBPDVOKKQ-RHSMWYFYSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2ccccc2-c2nn[n-]n2)O1 ZINC001229954768 1097417482 /nfs/dbraw/zinc/41/74/82/1097417482.db2.gz OYSKUJBPDVOKKQ-RHSMWYFYSA-N -1 3 314.389 3.148 20 30 DGEDHM CC(C)(C)c1ccc(-c2noc(-c3cnc[n-]c3=O)n2)c(C#N)c1 ZINC001212754587 1097503403 /nfs/dbraw/zinc/50/34/03/1097503403.db2.gz DKVHORJDUIRINY-UHFFFAOYSA-N -1 3 321.340 3.068 20 30 DGEDHM CC[C@@H](C#Cc1ccccc1)Oc1nc(=O)[n-]c2c1SCC2 ZINC001230792919 1097588851 /nfs/dbraw/zinc/58/88/51/1097588851.db2.gz UVTIBMZICDOXBO-ZDUSSCGKSA-N -1 3 312.394 3.040 20 30 DGEDHM CC(C)CNC(=O)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001174194903 1097640403 /nfs/dbraw/zinc/64/04/03/1097640403.db2.gz OODCEECQTQTQEQ-UHFFFAOYSA-N -1 3 309.369 3.393 20 30 DGEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(F)c21)c1ccccc1C#N ZINC001231075102 1097663185 /nfs/dbraw/zinc/66/31/85/1097663185.db2.gz WRLOWXUNFWTEFE-SNVBAGLBSA-N -1 3 309.300 3.486 20 30 DGEDHM CC[C@@H](C#Cc1ccccc1)Oc1cccc(-c2nnn[n-]2)c1 ZINC001231121157 1097674400 /nfs/dbraw/zinc/67/44/00/1097674400.db2.gz HVEWXXIJJJLTPM-INIZCTEOSA-N -1 3 304.353 3.076 20 30 DGEDHM CC[C@@H](C#Cc1ccccc1)Oc1cccc(-c2nn[n-]n2)c1 ZINC001231121157 1097674406 /nfs/dbraw/zinc/67/44/06/1097674406.db2.gz HVEWXXIJJJLTPM-INIZCTEOSA-N -1 3 304.353 3.076 20 30 DGEDHM C#C[C@@H](Oc1[n-]c(=O)nc2c(OC)cccc21)c1ccccc1 ZINC001231350258 1097728516 /nfs/dbraw/zinc/72/85/16/1097728516.db2.gz UJNXJLAQBKXKCZ-CQSZACIVSA-N -1 3 306.321 3.097 20 30 DGEDHM N#Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2)c(F)c1Cl ZINC001175433312 1098047284 /nfs/dbraw/zinc/04/72/84/1098047284.db2.gz UZNAXRQPJUFLMJ-UHFFFAOYSA-N -1 3 314.711 3.274 20 30 DGEDHM COC(=O)C1(c2ccc(Nc3cc(C#N)ccc3[O-])cc2)CC1 ZINC001175920693 1098208471 /nfs/dbraw/zinc/20/84/71/1098208471.db2.gz FHVMIBSRUOXKDJ-UHFFFAOYSA-N -1 3 308.337 3.212 20 30 DGEDHM N#CC=C([O-])c1ccccc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001233523393 1098362697 /nfs/dbraw/zinc/36/26/97/1098362697.db2.gz ZRAZJUOIQPHXRD-OAHLLOKOSA-N -1 3 322.320 3.237 20 30 DGEDHM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc([O-])cc(Cl)c1 ZINC001176625664 1098394322 /nfs/dbraw/zinc/39/43/22/1098394322.db2.gz GAUNMVKPWKUGPN-UHFFFAOYSA-N -1 3 315.760 3.329 20 30 DGEDHM CCC[C@@H](CC(=O)OCC)Oc1ccc(/C=N/[O-])cc1OC ZINC001233802731 1098434472 /nfs/dbraw/zinc/43/44/72/1098434472.db2.gz IIXPBKBTHVGLBD-HNEYUBDGSA-N -1 3 309.362 3.004 20 30 DGEDHM N#Cc1cc([O-])cc(OC[C@H]2CCC(c3ccccc3)=NO2)c1 ZINC001234146880 1098503524 /nfs/dbraw/zinc/50/35/24/1098503524.db2.gz IDNXXTBSDCMGGO-MRXNPFEDSA-N -1 3 308.337 3.226 20 30 DGEDHM COc1ccc(Nc2ncc(Br)cc2[O-])c(C#N)c1 ZINC001212779160 1098870500 /nfs/dbraw/zinc/87/05/00/1098870500.db2.gz XJNDQSYAEALMNY-UHFFFAOYSA-N -1 3 320.146 3.174 20 30 DGEDHM N=C(c1ccccc1N)N([O-])C(=O)/C=C/c1cc2ccccc2o1 ZINC001178757356 1098924754 /nfs/dbraw/zinc/92/47/54/1098924754.db2.gz QNYMKEUGWNJBSM-RWPNHTJISA-N -1 3 321.336 3.272 20 30 DGEDHM CCCCCCCCS(=O)(=O)[N-]c1cn(CC)nc1C ZINC001187993494 1099650889 /nfs/dbraw/zinc/65/08/89/1099650889.db2.gz YPMKHWCAXSQKTG-UHFFFAOYSA-N -1 3 301.456 3.314 20 30 DGEDHM N#Cc1cc(NC(=O)c2ccc(-c3csnn3)cc2)ccc1[O-] ZINC001188923520 1099888067 /nfs/dbraw/zinc/88/80/67/1099888067.db2.gz WLQZHBKXKVYORQ-UHFFFAOYSA-N -1 3 322.349 3.035 20 30 DGEDHM N#Cc1cnoc1[N-]C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001190710834 1100319864 /nfs/dbraw/zinc/31/98/64/1100319864.db2.gz KNWYLKYDKLVQNC-UHFFFAOYSA-N -1 3 312.207 3.089 20 30 DGEDHM C#Cc1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001191120206 1100404793 /nfs/dbraw/zinc/40/47/93/1100404793.db2.gz OVTRTXFMCRUXJH-UHFFFAOYSA-N -1 3 316.154 3.388 20 30 DGEDHM N#Cc1c([N-]C(=O)c2cc(Cl)ncn2)sc2ccccc12 ZINC001191445745 1100468666 /nfs/dbraw/zinc/46/86/66/1100468666.db2.gz NJVARMJNUJOTQK-UHFFFAOYSA-N -1 3 314.757 3.469 20 30 DGEDHM [O-]/N=C1/CCc2cc(-c3cnn(Cc4ccncc4)c3)ccc21 ZINC001239052051 1100583560 /nfs/dbraw/zinc/58/35/60/1100583560.db2.gz XPRJKVUZUJOHOK-UZYVYHOESA-N -1 3 304.353 3.118 20 30 DGEDHM COc1ccc(-c2ccc([N-]S(=O)(=O)[C@@H](C)C#N)cc2)cc1 ZINC001193149887 1100712124 /nfs/dbraw/zinc/71/21/24/1100712124.db2.gz BRTTXGDLZDIELA-LBPRGKRZSA-N -1 3 316.382 3.016 20 30 DGEDHM Cc1ccccc1-c1cccc([N-]S(=O)(=O)[C@H](C)C#N)c1 ZINC001193150284 1100712219 /nfs/dbraw/zinc/71/22/19/1100712219.db2.gz DXAZYACNIAQQCC-CYBMUJFWSA-N -1 3 300.383 3.316 20 30 DGEDHM CC(C)NC(=O)c1ccc(-c2cc(/C=N/[O-])ccc2F)cc1 ZINC001240025671 1100837893 /nfs/dbraw/zinc/83/78/93/1100837893.db2.gz LIWJXENSDDURKZ-VXLYETTFSA-N -1 3 300.333 3.439 20 30 DGEDHM CCCCCCCCCCOC(=O)Nc1cnc(C)[n-]c1=O ZINC001194929175 1101039225 /nfs/dbraw/zinc/03/92/25/1101039225.db2.gz SODVMJCTGGEKTC-AWEZNQCLSA-N -1 3 309.410 3.251 20 30 DGEDHM CCOC(=O)c1cc(C#N)c(NC(=O)O[C@H](C)CC)c(C)c1[O-] ZINC001195121688 1101077713 /nfs/dbraw/zinc/07/77/13/1101077713.db2.gz KNDXRSCPCYBNPU-SECBINFHSA-N -1 3 320.345 3.096 20 30 DGEDHM Cc1cc(C#N)c([N-]C(=S)NC(=O)c2ccccc2)s1 ZINC001195381938 1101131982 /nfs/dbraw/zinc/13/19/82/1101131982.db2.gz XDIVFJFMYSPBKK-UHFFFAOYSA-N -1 3 301.396 3.055 20 30 DGEDHM N#Cc1cc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2cc1C#N ZINC001241444521 1101463156 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C=CCc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1[O-] ZINC001250712727 1105564724 /nfs/dbraw/zinc/56/47/24/1105564724.db2.gz KSQCRVANJBRUDK-UHFFFAOYSA-N -1 3 308.337 3.435 20 30 DGEDHM C#CC(CC)(CC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257183590 1106549651 /nfs/dbraw/zinc/54/96/51/1106549651.db2.gz XIRSBLWCPKEYRT-UHFFFAOYSA-N -1 3 320.241 3.464 20 30 DGEDHM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001257300399 1106563437 /nfs/dbraw/zinc/56/34/37/1106563437.db2.gz IXQPWOWNHHCZCQ-LBPRGKRZSA-N -1 3 321.229 3.354 20 30 DGEDHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)cc1O ZINC001258282933 1106708805 /nfs/dbraw/zinc/70/88/05/1106708805.db2.gz GGKBFZXOJCJNIN-UHFFFAOYSA-N -1 3 322.773 3.027 20 30 DGEDHM C=C1CC=C(F)C=C1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258918608 1107056370 /nfs/dbraw/zinc/05/63/70/1107056370.db2.gz GSGOYXKCSPCTOD-UHFFFAOYSA-N -1 3 317.744 3.455 20 30 DGEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1C ZINC001259418896 1107133742 /nfs/dbraw/zinc/13/37/42/1107133742.db2.gz 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ZINC000194542139 432559399 /nfs/dbraw/zinc/55/93/99/432559399.db2.gz ODCTWMUMKBCPQK-UHFFFAOYSA-N -1 3 313.361 3.018 20 30 DGEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(Br)ccc1[O-] ZINC000176430143 432521602 /nfs/dbraw/zinc/52/16/02/432521602.db2.gz RBYSKRAKDXZJOD-VIFPVBQESA-N -1 3 314.179 3.074 20 30 DGEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000176992393 432572154 /nfs/dbraw/zinc/57/21/54/432572154.db2.gz BIMSDSGWBNPMSA-UHFFFAOYSA-N -1 3 321.340 3.243 20 30 DGEDHM C[C@H]1CCN(C(=O)COc2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000274338216 432654780 /nfs/dbraw/zinc/65/47/80/432654780.db2.gz CMJOVYJKIRQUQW-ZDUSSCGKSA-N -1 3 322.364 3.183 20 30 DGEDHM CCSc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000265046949 432666196 /nfs/dbraw/zinc/66/61/96/432666196.db2.gz ZXWQXCZURXDCKP-GIJQJNRQSA-N -1 3 302.399 3.451 20 30 DGEDHM Cc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 ZINC000159314466 432680841 /nfs/dbraw/zinc/68/08/41/432680841.db2.gz QBLAQYYJMGGZRN-CQSZACIVSA-N -1 3 300.745 3.349 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C[C@H](C)Sc2ccccc2)c1[O-] ZINC000266371532 432757806 /nfs/dbraw/zinc/75/78/06/432757806.db2.gz VLHYLMUHOFEKCB-NNLQFVHNSA-N -1 3 316.426 3.188 20 30 DGEDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160759876 432738693 /nfs/dbraw/zinc/73/86/93/432738693.db2.gz UFRUCCMPYNDEJQ-GWCFXTLKSA-N -1 3 312.822 3.069 20 30 DGEDHM CCS[C@H]1CCC[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000267298117 432830499 /nfs/dbraw/zinc/83/04/99/432830499.db2.gz JQLOHFBQSNLZNG-HRADPRCWSA-N -1 3 308.447 3.071 20 30 DGEDHM Cc1cc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)ccc1F ZINC000267690569 432835924 /nfs/dbraw/zinc/83/59/24/432835924.db2.gz QONWGQWDLSHVOJ-VNQCRBAESA-N -1 3 302.349 3.216 20 30 DGEDHM COc1ccc([O-])c(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000354521208 433125547 /nfs/dbraw/zinc/12/55/47/433125547.db2.gz MQGLUCYAKDGPLX-UHFFFAOYSA-N -1 3 302.717 3.178 20 30 DGEDHM Cc1ncc(CO)c(/C=N/c2ccc(OC(C)C)cc2)c1[O-] ZINC000298666024 433209685 /nfs/dbraw/zinc/20/96/85/433209685.db2.gz SFJZXYJKDWGWGF-DJKKODMXSA-N -1 3 300.358 3.126 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2c(F)cccc2F)c1[O-] ZINC000298788768 433243652 /nfs/dbraw/zinc/24/36/52/433243652.db2.gz RFBCGYQKMASHBZ-FUGUBPHRSA-N -1 3 306.312 3.046 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2c(F)cccc2F)c1[O-] ZINC000298788772 433244576 /nfs/dbraw/zinc/24/45/76/433244576.db2.gz RFBCGYQKMASHBZ-SBZQOHANSA-N -1 3 306.312 3.046 20 30 DGEDHM C=CCCCS(=O)(=O)[N-]c1nc(C)c(Cl)cc1Cl ZINC000291833238 433369843 /nfs/dbraw/zinc/36/98/43/433369843.db2.gz GLUORMIGJBXTAF-UHFFFAOYSA-N -1 3 309.218 3.405 20 30 DGEDHM CC[C@H](C)CO[N-]C(=O)CCCCOc1cccc(C#N)c1 ZINC000292134607 433476314 /nfs/dbraw/zinc/47/63/14/433476314.db2.gz QBZONSNGPYQMAD-AWEZNQCLSA-N -1 3 304.390 3.201 20 30 DGEDHM Cc1ncsc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000355968758 433559300 /nfs/dbraw/zinc/55/93/00/433559300.db2.gz XKOUKFWOGGPNCD-UHFFFAOYSA-N -1 3 310.338 3.231 20 30 DGEDHM N#Cc1ccc(CN2CCCC[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000414674508 433783969 /nfs/dbraw/zinc/78/39/69/433783969.db2.gz FCBJQPKOGKNMKU-ZDUSSCGKSA-N -1 3 312.291 3.016 20 30 DGEDHM N#Cc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)c(F)c1 ZINC000352013189 433859290 /nfs/dbraw/zinc/85/92/90/433859290.db2.gz HHHAWVGTMDQABB-ONEGZZNKSA-N -1 3 318.311 3.013 20 30 DGEDHM CC(C)[C@@H](/N=C/c1c([O-])ccc2ccccc12)c1nncn1C ZINC000285203950 433922012 /nfs/dbraw/zinc/92/20/12/433922012.db2.gz DWNUVVFRUWHXMW-OXNWSPOFSA-N -1 3 308.385 3.490 20 30 DGEDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C#N)cnn1C1CCCC1 ZINC000436424452 433966490 /nfs/dbraw/zinc/96/64/90/433966490.db2.gz DQASDSBRHFSYMW-UHFFFAOYSA-N -1 3 312.333 3.225 20 30 DGEDHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000345937519 434011324 /nfs/dbraw/zinc/01/13/24/434011324.db2.gz FMTJXSFCUFMYDG-JTQLQIEISA-N -1 3 312.822 3.069 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccsc1Br ZINC000294667992 434126581 /nfs/dbraw/zinc/12/65/81/434126581.db2.gz MAPDSTCOCYDQJO-UHFFFAOYSA-N -1 3 310.163 3.338 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C#N)cs3)nc21 ZINC000437353748 434249893 /nfs/dbraw/zinc/24/98/93/434249893.db2.gz JGQYLNDAKIHKSV-NSHDSACASA-N -1 3 306.350 3.295 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)c(OCCC(C)C)c1 ZINC000416952863 434257299 /nfs/dbraw/zinc/25/72/99/434257299.db2.gz JXNQCFIQZZIKCD-OAHLLOKOSA-N -1 3 324.446 3.464 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)OC(CC)(CC)O2 ZINC000416951771 434257721 /nfs/dbraw/zinc/25/77/21/434257721.db2.gz GMVZDCQKKDDWGJ-GFCCVEGCSA-N -1 3 324.402 3.018 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000416942017 434259028 /nfs/dbraw/zinc/25/90/28/434259028.db2.gz AOLBVWCCJDTMGM-GFCCVEGCSA-N -1 3 320.336 3.225 20 30 DGEDHM Cc1cccc([C@H](NCc2ccc(C#N)c(C)c2)C(=O)[O-])c1C ZINC000417569419 434444555 /nfs/dbraw/zinc/44/45/55/434444555.db2.gz UZGHVRJDOKUBQQ-SFHVURJKSA-N -1 3 308.381 3.399 20 30 DGEDHM Cc1cc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1C#N ZINC000417572397 434445371 /nfs/dbraw/zinc/44/53/71/434445371.db2.gz YTWGGKZDDIAGGH-KDOFPFPSSA-N -1 3 308.381 3.418 20 30 DGEDHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000417562503 434440479 /nfs/dbraw/zinc/44/04/79/434440479.db2.gz MPFCYBHBVYPOCS-XHDPSFHLSA-N -1 3 300.383 3.171 20 30 DGEDHM O=C(Nc1ccc([O-])c(C(F)(F)F)c1)[C@H]1C[C@]12CCOC2 ZINC000329696477 434463831 /nfs/dbraw/zinc/46/38/31/434463831.db2.gz BVHCOCQWKDWTDX-MFKMUULPSA-N -1 3 301.264 3.426 20 30 DGEDHM Cc1ccc([O-])c(NC(=O)c2cnc([C@@H]3CCCO3)s2)n1 ZINC000329767692 434474858 /nfs/dbraw/zinc/47/48/58/434474858.db2.gz ZWQQJMOZWURBGC-JTQLQIEISA-N -1 3 305.359 3.040 20 30 DGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(C)cs1 ZINC000450989778 434520217 /nfs/dbraw/zinc/52/02/17/434520217.db2.gz RLTWRTNFHPRUFS-UHFFFAOYSA-N -1 3 300.449 3.197 20 30 DGEDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000370434488 434614467 /nfs/dbraw/zinc/61/44/67/434614467.db2.gz UUHQGCKBHLXPOM-IAGOWNOFSA-N -1 3 322.412 3.016 20 30 DGEDHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ccc(C#N)o1 ZINC000410552795 434654677 /nfs/dbraw/zinc/65/46/77/434654677.db2.gz DYEZWISZBFQPRO-UHFFFAOYSA-N -1 3 316.338 3.129 20 30 DGEDHM CCOCc1nc(C)c(C(=O)[N-]c2sccc2C#N)s1 ZINC000459856217 434730523 /nfs/dbraw/zinc/73/05/23/434730523.db2.gz JVRKMCYJHQHGFF-UHFFFAOYSA-N -1 3 307.400 3.174 20 30 DGEDHM N#CC(=C([O-])c1cccc(C2CC2)c1)c1nnc2n1CCCCC2 ZINC000574051973 434947129 /nfs/dbraw/zinc/94/71/29/434947129.db2.gz QBPDGIHZOPCSNK-MRXNPFEDSA-N -1 3 320.396 3.372 20 30 DGEDHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000523568954 434954329 /nfs/dbraw/zinc/95/43/29/434954329.db2.gz JUVVRZVHQBYTCC-ZIAGYGMSSA-N -1 3 324.421 3.190 20 30 DGEDHM CCCNc1ccc(C#N)cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492478639 434990889 /nfs/dbraw/zinc/99/08/89/434990889.db2.gz YAQBOLNXRXCFDV-XQRVVYSFSA-N -1 3 322.368 3.133 20 30 DGEDHM C=CCC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000565182897 435277399 /nfs/dbraw/zinc/27/73/99/435277399.db2.gz OKUSMNPCQQGVAB-OAHLLOKOSA-N -1 3 323.396 3.497 20 30 DGEDHM Cc1nsc([N-]c2ccn([C@@H](C)c3ccccc3)n2)c1C#N ZINC000588823034 435295877 /nfs/dbraw/zinc/29/58/77/435295877.db2.gz DFMLCXPNPHWRKL-LBPRGKRZSA-N -1 3 309.398 3.873 20 30 DGEDHM C=CCn1cc(C(=O)[N-]c2ccccc2SC(C)C)nn1 ZINC000648324929 435263244 /nfs/dbraw/zinc/26/32/44/435263244.db2.gz PMZCDFMQARQPKM-UHFFFAOYSA-N -1 3 302.403 3.217 20 30 DGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000568471068 435437709 /nfs/dbraw/zinc/43/77/09/435437709.db2.gz UNVVDGARLLUNGM-GFCCVEGCSA-N -1 3 321.229 3.105 20 30 DGEDHM C=C[C@@H]1CCCCN1c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000486502989 435603263 /nfs/dbraw/zinc/60/32/63/435603263.db2.gz BDOZCOVBHNRJCQ-OAHLLOKOSA-N -1 3 310.401 3.352 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000540483613 435603433 /nfs/dbraw/zinc/60/34/33/435603433.db2.gz LJZPNGWEVCZVFO-NSHDSACASA-N -1 3 312.822 3.235 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccnc(C4CC4)c3)nc1-2 ZINC000541187588 435640883 /nfs/dbraw/zinc/64/08/83/435640883.db2.gz CONGOAXOXIQXKA-ZDUSSCGKSA-N -1 3 317.352 3.029 20 30 DGEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)nc2c1 ZINC000647373885 436034294 /nfs/dbraw/zinc/03/42/94/436034294.db2.gz QREVIPVDHUXLAI-GFCCVEGCSA-N -1 3 322.393 3.467 20 30 DGEDHM COc1ccnc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000647264560 435995949 /nfs/dbraw/zinc/99/59/49/435995949.db2.gz HIVMSJHCGSANDS-LLVKDONJSA-N -1 3 315.398 3.334 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2cnc3n2[C@@H](C)CCC3)n1 ZINC000651259223 436156868 /nfs/dbraw/zinc/15/68/68/436156868.db2.gz JPXYNIQZCIHQPG-QWRGUYRKSA-N -1 3 300.387 3.035 20 30 DGEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000664572788 436619052 /nfs/dbraw/zinc/61/90/52/436619052.db2.gz YEMKOMBFFFGJJL-IYBDPMFKSA-N -1 3 322.412 3.494 20 30 DGEDHM CCc1c([N-]C(=O)c2sccc2C#N)onc1C(F)(F)F ZINC000576886485 316179518 /nfs/dbraw/zinc/17/95/18/316179518.db2.gz XGGOGQOVHNIXRP-UHFFFAOYSA-N -1 3 315.276 3.441 20 30 DGEDHM COc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccccc2Cl)c1 ZINC000179546783 331527017 /nfs/dbraw/zinc/52/70/17/331527017.db2.gz LPADTEACZSXCFD-CQSZACIVSA-N -1 3 316.744 3.049 20 30 DGEDHM CCCCCCCCNC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000269977933 334005739 /nfs/dbraw/zinc/00/57/39/334005739.db2.gz NGUUCUQMRXDWBX-UHFFFAOYSA-N -1 3 307.438 3.208 20 30 DGEDHM C#CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000126658878 334860787 /nfs/dbraw/zinc/86/07/87/334860787.db2.gz YJNMFFCAJXSYOR-UHFFFAOYSA-N -1 3 306.214 3.075 20 30 DGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000546056108 341153025 /nfs/dbraw/zinc/15/30/25/341153025.db2.gz LSEYJSRKVYRUBN-SNVBAGLBSA-N -1 3 307.337 3.338 20 30 DGEDHM C=CCN(Cc1cccs1)C(=O)c1cc(OC)ccc1[O-] ZINC000078430649 341242192 /nfs/dbraw/zinc/24/21/92/341242192.db2.gz PULSFVUMHSMPAN-UHFFFAOYSA-N -1 3 303.383 3.291 20 30 DGEDHM Cc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)n1C ZINC000136538310 341261466 /nfs/dbraw/zinc/26/14/66/341261466.db2.gz BXRMYJHCUMMIAW-LBPRGKRZSA-N -1 3 322.393 3.342 20 30 DGEDHM C=C(CC)C[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000452044406 534416535 /nfs/dbraw/zinc/41/65/35/534416535.db2.gz RKZMGGBJIAZFFC-UHFFFAOYSA-N -1 3 324.265 3.064 20 30 DGEDHM Cc1cccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c1[O-] ZINC000331229885 534571420 /nfs/dbraw/zinc/57/14/20/534571420.db2.gz GXMDYJSHAWEYIM-LLVKDONJSA-N -1 3 316.323 3.032 20 30 DGEDHM Cc1nc([C@H]2CCCO2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000347752773 534611606 /nfs/dbraw/zinc/61/16/06/534611606.db2.gz FCQZTRAYOFRRHO-WCQYABFASA-N -1 3 313.382 3.188 20 30 DGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442646771 526345086 /nfs/dbraw/zinc/34/50/86/526345086.db2.gz HZBAGFXVLVFVBT-UHFFFAOYSA-N -1 3 322.364 3.101 20 30 DGEDHM C=CCCC1(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CC1 ZINC000355113648 527095174 /nfs/dbraw/zinc/09/51/74/527095174.db2.gz FQOKABAOOKTPRB-UHFFFAOYSA-N -1 3 323.396 3.430 20 30 DGEDHM C=CC[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000342078286 527134735 /nfs/dbraw/zinc/13/47/35/527134735.db2.gz CQDSKKLLIWALOU-NSHDSACASA-N -1 3 312.373 3.244 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)cc1[O-] ZINC000331360969 527221032 /nfs/dbraw/zinc/22/10/32/527221032.db2.gz YLPRIEWHSDSXGA-NVXWUHKLSA-N -1 3 319.401 3.493 20 30 DGEDHM CC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)o1 ZINC000447208170 527270079 /nfs/dbraw/zinc/27/00/79/527270079.db2.gz LVRKGPIRNVTFMF-UHFFFAOYSA-N -1 3 300.339 3.156 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCCCOc1c(C)cccc1C ZINC000348132993 527332428 /nfs/dbraw/zinc/33/24/28/527332428.db2.gz PBNQAKMJFZGFSM-UHFFFAOYSA-N -1 3 319.430 3.348 20 30 DGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000340882057 527416501 /nfs/dbraw/zinc/41/65/01/527416501.db2.gz MMAAOFWPFRGBRW-SSDOTTSWSA-N -1 3 313.728 3.212 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cc(F)c(OC(C)C)c(F)c1 ZINC000342422577 527420530 /nfs/dbraw/zinc/42/05/30/527420530.db2.gz CGMODQCEPDYWKP-UHFFFAOYSA-N -1 3 305.346 3.070 20 30 DGEDHM C=CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000344734559 527486853 /nfs/dbraw/zinc/48/68/53/527486853.db2.gz YFGPZEXCIMWMAC-HNNXBMFYSA-N -1 3 316.382 3.137 20 30 DGEDHM CCCC(C#N)(CCC)[N-]C(=O)C(F)(F)c1ncccc1C ZINC000192694164 527969893 /nfs/dbraw/zinc/96/98/93/527969893.db2.gz KGTCEJSRAUYEAL-UHFFFAOYSA-N -1 3 309.360 3.461 20 30 DGEDHM CCCCCCC[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155335789 528137810 /nfs/dbraw/zinc/13/78/10/528137810.db2.gz SYHACXCXJGVSSD-NRFANRHFSA-N -1 3 324.368 3.420 20 30 DGEDHM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435421060 528690698 /nfs/dbraw/zinc/69/06/98/528690698.db2.gz GIUQCYBGJFKEFO-NEPJUHHUSA-N -1 3 312.460 3.113 20 30 DGEDHM CCOC(=O)N1CC[C@@H](/N=C/c2c([O-])ccc3ccccc32)C1 ZINC000184533899 528996052 /nfs/dbraw/zinc/99/60/52/528996052.db2.gz RPMZAWLQIORVRM-HIPSJFSSSA-N -1 3 312.369 3.195 20 30 DGEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435426161 529362786 /nfs/dbraw/zinc/36/27/86/529362786.db2.gz GTUARAKZBSYUCP-GFCCVEGCSA-N -1 3 320.439 3.092 20 30 DGEDHM CC(C)N(Cc1ccc(C#N)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459318566 535090675 /nfs/dbraw/zinc/09/06/75/535090675.db2.gz CPLFAHMLDFAVHM-UHFFFAOYSA-N -1 3 322.412 3.342 20 30 DGEDHM C=C(C)[C@@H](CO)Sc1nnc([N-]c2ccccc2F)s1 ZINC000671147059 547772381 /nfs/dbraw/zinc/77/23/81/547772381.db2.gz AOGSXUFYHPLDBJ-LLVKDONJSA-N -1 3 311.407 3.450 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3occ4c3CCC4)nc21 ZINC000671767040 547831047 /nfs/dbraw/zinc/83/10/47/547831047.db2.gz VRUAMRGFLSRVDG-CYBMUJFWSA-N -1 3 305.337 3.443 20 30 DGEDHM Cc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)sc1C ZINC000683690184 549518991 /nfs/dbraw/zinc/51/89/91/549518991.db2.gz YBJZHLHKTVWBJU-NSHDSACASA-N -1 3 310.382 3.435 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@H](O)c1c(F)cccc1Cl ZINC000741165019 574531247 /nfs/dbraw/zinc/53/12/47/574531247.db2.gz DGJZOSCEWKMDKN-YUYIWDJPSA-N -1 3 323.751 3.346 20 30 DGEDHM C#CCOc1cccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC000731010923 574541651 /nfs/dbraw/zinc/54/16/51/574541651.db2.gz BBVFMZXCIKBDBC-UHFFFAOYSA-N -1 3 321.336 3.242 20 30 DGEDHM C#CCOc1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC000731010923 574541653 /nfs/dbraw/zinc/54/16/53/574541653.db2.gz BBVFMZXCIKBDBC-UHFFFAOYSA-N -1 3 321.336 3.242 20 30 DGEDHM O=C1CCCN1c1ccc(N=Cc2cccc([O-])c2O)cc1F ZINC000732622575 574576773 /nfs/dbraw/zinc/57/67/73/574576773.db2.gz SXYVNEBRSYYSEZ-UHFFFAOYSA-N -1 3 314.316 3.114 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNc1cc(F)cc(F)c1)C(=O)[N-]2 ZINC000732712508 574579796 /nfs/dbraw/zinc/57/97/96/574579796.db2.gz KOGSTIZSAUWQKF-UHFFFAOYSA-N -1 3 305.259 3.181 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/CCc2ccc(F)cc2Cl)c1O ZINC000733205215 574607657 /nfs/dbraw/zinc/60/76/57/574607657.db2.gz NKEDJMBTZAVGEG-QGMBQPNBSA-N -1 3 309.724 3.258 20 30 DGEDHM COC(=O)c1cc(Cl)cc(N=Cc2cccc([O-])c2O)c1 ZINC000735978279 574725654 /nfs/dbraw/zinc/72/56/54/574725654.db2.gz AZMPMUXKZHLWPX-UHFFFAOYSA-N -1 3 305.717 3.288 20 30 DGEDHM CCCCCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736447857 574753042 /nfs/dbraw/zinc/75/30/42/574753042.db2.gz IZBCORIRBQDILH-UHFFFAOYSA-N -1 3 316.409 3.341 20 30 DGEDHM CCCCCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736447857 574753044 /nfs/dbraw/zinc/75/30/44/574753044.db2.gz IZBCORIRBQDILH-UHFFFAOYSA-N -1 3 316.409 3.341 20 30 DGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000736662670 574802084 /nfs/dbraw/zinc/80/20/84/574802084.db2.gz RHQHDTJEGUNPIJ-QLJPJBMISA-N -1 3 316.307 3.313 20 30 DGEDHM C[C@@H]1c2ccccc2OCCN1[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736839542 574808557 /nfs/dbraw/zinc/80/85/57/574808557.db2.gz BOERRMFEKDUZRO-ACJLOTCBSA-N -1 3 322.364 3.140 20 30 DGEDHM C[C@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)Cc2ccccc21 ZINC000736809691 574807103 /nfs/dbraw/zinc/80/71/03/574807103.db2.gz QYQRATLZBXMENI-UGSOOPFHSA-N -1 3 306.365 3.303 20 30 DGEDHM CCN(CC)c1ccc(/C=[NH+]\C2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC000737088935 574822937 /nfs/dbraw/zinc/82/29/37/574822937.db2.gz OEWTXPWMGGGGJS-UNOMPAQXSA-N -1 3 318.417 3.301 20 30 DGEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737329433 574838698 /nfs/dbraw/zinc/83/86/98/574838698.db2.gz LXSZCBUFPFGXMR-FPLPWBNLSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737329433 574838699 /nfs/dbraw/zinc/83/86/99/574838699.db2.gz LXSZCBUFPFGXMR-FPLPWBNLSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCC[C@H]2Cc2ccccc2)c1[O-] ZINC000737440043 574843988 /nfs/dbraw/zinc/84/39/88/574843988.db2.gz AJYPHRGUVLMLLF-JHMJYFQHSA-N -1 3 324.424 3.418 20 30 DGEDHM COc1ccc(CCNN=C(C)c2ccc([O-])c(F)c2)cc1 ZINC000737439748 574843410 /nfs/dbraw/zinc/84/34/10/574843410.db2.gz FZYJHLYVXQIROU-UHFFFAOYSA-N -1 3 302.349 3.096 20 30 DGEDHM N#Cc1ccccc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737727195 574854913 /nfs/dbraw/zinc/85/49/13/574854913.db2.gz FYSPOAUSBIHDPM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccccc1CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737727195 574854914 /nfs/dbraw/zinc/85/49/14/574854914.db2.gz FYSPOAUSBIHDPM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM Cc1cccnc1[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C(C)C ZINC000738785764 574882152 /nfs/dbraw/zinc/88/21/52/574882152.db2.gz MEVAZROFFGMNKA-FUHWJXTLSA-N -1 3 323.396 3.374 20 30 DGEDHM Cc1cccnc1[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)C(C)C ZINC000738785767 574882168 /nfs/dbraw/zinc/88/21/68/574882168.db2.gz MEVAZROFFGMNKA-SJLPKXTDSA-N -1 3 323.396 3.374 20 30 DGEDHM N#Cc1ccc([C@@H](N[C@@H]2CCc3c2cccc3F)C(=O)[O-])cc1 ZINC000739106496 574892210 /nfs/dbraw/zinc/89/22/10/574892210.db2.gz NFSIVXDYIKFDBN-IAGOWNOFSA-N -1 3 310.328 3.100 20 30 DGEDHM N#Cc1ccc([C@@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])cc1 ZINC000739106082 574892119 /nfs/dbraw/zinc/89/21/19/574892119.db2.gz KJUUJBMMUIBFTI-OAHLLOKOSA-N -1 3 318.735 3.266 20 30 DGEDHM CCC(=NNCC(F)F)c1cc(Br)ccc1[O-] ZINC000740616339 574937619 /nfs/dbraw/zinc/93/76/19/574937619.db2.gz KLFQVCYOWZTESD-UHFFFAOYSA-N -1 3 307.138 3.124 20 30 DGEDHM COc1ccc2c(c1)OCC[C@H]2/N=C/c1c([O-])cccc1OC ZINC000741755342 574968769 /nfs/dbraw/zinc/96/87/69/574968769.db2.gz CZDRNYHTLQVSHU-SKCQWOFPSA-N -1 3 313.353 3.352 20 30 DGEDHM [O-]c1c(O)ccc(/C=N\CCc2nc3ccccc3s2)c1O ZINC000743340373 575043642 /nfs/dbraw/zinc/04/36/42/575043642.db2.gz CGKITXROHWBFBM-MFOYZWKCSA-N -1 3 314.366 3.075 20 30 DGEDHM N#Cc1ccc(CO[N-]C(=O)c2c(F)cccc2Cl)c(F)c1 ZINC000728911967 575193572 /nfs/dbraw/zinc/19/35/72/575193572.db2.gz OOEPCPGVKPZTRW-UHFFFAOYSA-N -1 3 322.698 3.351 20 30 DGEDHM N#Cc1ccc(CO[N-]C(=O)c2c(F)cccc2Cl)cc1 ZINC000728912546 575193959 /nfs/dbraw/zinc/19/39/59/575193959.db2.gz YRKBPJOBEORSMU-UHFFFAOYSA-N -1 3 304.708 3.212 20 30 DGEDHM COc1ccc(C(C)=NNc2ccnc3ccccc32)c([O-])c1 ZINC000730148500 575277006 /nfs/dbraw/zinc/27/70/06/575277006.db2.gz VLHGCRKSJOARGE-UHFFFAOYSA-N -1 3 307.353 3.207 20 30 DGEDHM Cc1nc2sccn2c1C=N[N-]c1oc(C(C)C)nc1C#N ZINC000745624431 575407312 /nfs/dbraw/zinc/40/73/12/575407312.db2.gz KQZSVYQNKJJGAZ-UHFFFAOYSA-N -1 3 314.374 3.133 20 30 DGEDHM [O-]c1ccc(Br)c(C=NOCc2cccnc2)c1 ZINC000746577395 575463027 /nfs/dbraw/zinc/46/30/27/575463027.db2.gz QSLASQLAMMJOOQ-UHFFFAOYSA-N -1 3 307.147 3.100 20 30 DGEDHM C#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])cn1 ZINC000747934165 575551976 /nfs/dbraw/zinc/55/19/76/575551976.db2.gz ILWWVDPMAOFTOJ-UHFFFAOYSA-N -1 3 306.243 3.040 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCCSC1 ZINC000749007151 575620648 /nfs/dbraw/zinc/62/06/48/575620648.db2.gz BWVMSYMZMKFBRI-ODYDIQAQSA-N -1 3 300.221 3.469 20 30 DGEDHM CCOc1ccc(/C=N\[C@@H](C)C(=O)OC2CCCC2)c([O-])c1 ZINC000751890579 575809551 /nfs/dbraw/zinc/80/95/51/575809551.db2.gz OVMIZBPBBMKICC-SJWFJVLYSA-N -1 3 305.374 3.084 20 30 DGEDHM C=C(C)COc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000727265636 576115953 /nfs/dbraw/zinc/11/59/53/576115953.db2.gz VZBLHNSXUIUZFH-UHFFFAOYSA-N -1 3 312.369 3.293 20 30 DGEDHM Fc1ccc2oc(C=NNc3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000737668681 576156486 /nfs/dbraw/zinc/15/64/86/576156486.db2.gz WXRUYKVQXVFNGW-UHFFFAOYSA-N -1 3 322.303 3.198 20 30 DGEDHM Fc1ccc2oc(C=NNc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000737668681 576156490 /nfs/dbraw/zinc/15/64/90/576156490.db2.gz WXRUYKVQXVFNGW-UHFFFAOYSA-N -1 3 322.303 3.198 20 30 DGEDHM COc1cccc(C=NNc2cccc([N+](=O)[O-])c2C)c1[O-] ZINC000727973246 576156867 /nfs/dbraw/zinc/15/68/67/576156867.db2.gz WEPUNKXOCZHQHZ-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM Cc1ccc(C(C)(C)C/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000728437602 576181866 /nfs/dbraw/zinc/18/18/66/576181866.db2.gz FNJOPRCKHGNHRG-JMIUGGIZSA-N -1 3 312.413 3.293 20 30 DGEDHM CCCN1c2ccccc2C(=N[N-]c2ncccc2Cl)C1=O ZINC000917546534 620673408 /nfs/dbraw/zinc/67/34/08/620673408.db2.gz PRKSGKOMNVTHMJ-UHFFFAOYSA-N -1 3 314.776 3.308 20 30 DGEDHM Cc1cc(OC(C)C)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000917557777 620675896 /nfs/dbraw/zinc/67/58/96/620675896.db2.gz VGZKDJBUKGDYPH-UHFFFAOYSA-N -1 3 314.385 3.434 20 30 DGEDHM CC(C)N1c2ccccc2C(=N[N-]c2ncccc2Cl)C1=O ZINC000917548569 620675092 /nfs/dbraw/zinc/67/50/92/620675092.db2.gz BNWQEVVRLIUQSP-UHFFFAOYSA-N -1 3 314.776 3.306 20 30 DGEDHM C=CCOc1ccc(CN2CC[C@](C)(C(=O)[O-])C2)cc1Cl ZINC000263494547 604674160 /nfs/dbraw/zinc/67/41/60/604674160.db2.gz JKRBORZOYCQBCS-INIZCTEOSA-N -1 3 309.793 3.201 20 30 DGEDHM Cc1cc([O-])c(C=NN2C(=S)N=NC2C(C)C)cc1Cl ZINC000853270650 620683562 /nfs/dbraw/zinc/68/35/62/620683562.db2.gz GEGRMEGMLQFWRJ-UHFFFAOYSA-N -1 3 310.810 3.240 20 30 DGEDHM Cn1ccnc1[C@@H]1C[C@H](/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000840711047 619012054 /nfs/dbraw/zinc/01/20/54/619012054.db2.gz UNTFMYTWBAYTQJ-FLIULEQJSA-N -1 3 319.792 3.118 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CCC2(CCOCC2)O1 ZINC000899227127 619319649 /nfs/dbraw/zinc/31/96/49/619319649.db2.gz FUXAXFBOHBWYTN-YFEUJDIGSA-N -1 3 309.793 3.193 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H]1CCC2(CCOCC2)O1 ZINC000899227125 619319718 /nfs/dbraw/zinc/31/97/18/619319718.db2.gz FUXAXFBOHBWYTN-KPYNCUPYSA-N -1 3 309.793 3.193 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CCC2CCC(F)(F)CC2)c1[O-] ZINC000899232968 619320777 /nfs/dbraw/zinc/32/07/77/619320777.db2.gz 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ZINC000822194449 628428371 /nfs/dbraw/zinc/42/83/71/628428371.db2.gz XQXWMQZRPJTQGN-UHFFFAOYSA-N -1 3 312.402 3.299 20 30 DGEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000822232860 628432274 /nfs/dbraw/zinc/43/22/74/628432274.db2.gz CJCQHWZHAAEUEN-FMIVXFBMSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000822232860 628432275 /nfs/dbraw/zinc/43/22/75/628432275.db2.gz CJCQHWZHAAEUEN-FMIVXFBMSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822259235 628434040 /nfs/dbraw/zinc/43/40/40/628434040.db2.gz QGTDPKLBGMHBEQ-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM Cc1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822259235 628434043 /nfs/dbraw/zinc/43/40/43/628434043.db2.gz QGTDPKLBGMHBEQ-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM N#C[C@@H](Cc1ccccc1)Sc1ccccc1-c1nnn[n-]1 ZINC000822801946 628496935 /nfs/dbraw/zinc/49/69/35/628496935.db2.gz RYUVFLIRPNYPBD-CYBMUJFWSA-N -1 3 307.382 3.094 20 30 DGEDHM N#C[C@@H](Cc1ccccc1)Sc1ccccc1-c1nn[n-]n1 ZINC000822801946 628496937 /nfs/dbraw/zinc/49/69/37/628496937.db2.gz RYUVFLIRPNYPBD-CYBMUJFWSA-N -1 3 307.382 3.094 20 30 DGEDHM N#Cc1ccc(NCc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822833870 628500504 /nfs/dbraw/zinc/50/05/04/628500504.db2.gz YKOANMWCCAUJCQ-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(NCc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822833870 628500505 /nfs/dbraw/zinc/50/05/05/628500505.db2.gz YKOANMWCCAUJCQ-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC000822921910 628509362 /nfs/dbraw/zinc/50/93/62/628509362.db2.gz AATPVAWAFIDFOK-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC000822921910 628509364 /nfs/dbraw/zinc/50/93/64/628509364.db2.gz AATPVAWAFIDFOK-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1 ZINC000822928529 628510083 /nfs/dbraw/zinc/51/00/83/628510083.db2.gz JFZWICJFJALHBJ-SNAWJCMRSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1 ZINC000822928529 628510085 /nfs/dbraw/zinc/51/00/85/628510085.db2.gz JFZWICJFJALHBJ-SNAWJCMRSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823503036 628570224 /nfs/dbraw/zinc/57/02/24/628570224.db2.gz AKEQYTWNZCRBAY-ZROIWOOFSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823503036 628570226 /nfs/dbraw/zinc/57/02/26/628570226.db2.gz AKEQYTWNZCRBAY-ZROIWOOFSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823503035 628570257 /nfs/dbraw/zinc/57/02/57/628570257.db2.gz AKEQYTWNZCRBAY-NTEUORMPSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823503035 628570259 /nfs/dbraw/zinc/57/02/59/628570259.db2.gz AKEQYTWNZCRBAY-NTEUORMPSA-N -1 3 320.327 3.218 20 30 DGEDHM C#CCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823841443 628601757 /nfs/dbraw/zinc/60/17/57/628601757.db2.gz NKKDLHJUWABSPH-UHFFFAOYSA-N -1 3 312.320 3.391 20 30 DGEDHM C#CCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823841443 628601760 /nfs/dbraw/zinc/60/17/60/628601760.db2.gz NKKDLHJUWABSPH-UHFFFAOYSA-N -1 3 312.320 3.391 20 30 DGEDHM C#CCCCCCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000823841128 628601989 /nfs/dbraw/zinc/60/19/89/628601989.db2.gz IYOMXFFZVLPJIL-UHFFFAOYSA-N -1 3 317.418 3.067 20 30 DGEDHM C#CCCCCCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000823841128 628601991 /nfs/dbraw/zinc/60/19/91/628601991.db2.gz IYOMXFFZVLPJIL-UHFFFAOYSA-N -1 3 317.418 3.067 20 30 DGEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000823861254 628604154 /nfs/dbraw/zinc/60/41/54/628604154.db2.gz BFPNQMTZYUDXCA-UHFFFAOYSA-N -1 3 304.313 3.059 20 30 DGEDHM CC(=NNc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958105 628613477 /nfs/dbraw/zinc/61/34/77/628613477.db2.gz CBVSVZPUQGUNAH-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(=NNc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958105 628613478 /nfs/dbraw/zinc/61/34/78/628613478.db2.gz CBVSVZPUQGUNAH-UHFFFAOYSA-N -1 3 310.336 3.150 20 30 DGEDHM CC(C)=CCCC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824176831 628634511 /nfs/dbraw/zinc/63/45/11/628634511.db2.gz AVTHFXJTMNKVFU-UHFFFAOYSA-N -1 3 319.800 3.449 20 30 DGEDHM CC(C)=CCCC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824176831 628634513 /nfs/dbraw/zinc/63/45/13/628634513.db2.gz AVTHFXJTMNKVFU-UHFFFAOYSA-N -1 3 319.800 3.449 20 30 DGEDHM C[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@@H](C)C1 ZINC000824859561 628701365 /nfs/dbraw/zinc/70/13/65/628701365.db2.gz QLSOZBIWJJBJFY-IUCAKERBSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@@H](C)C1 ZINC000824859561 628701366 /nfs/dbraw/zinc/70/13/66/628701366.db2.gz QLSOZBIWJJBJFY-IUCAKERBSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@H]1C ZINC000824925468 628707365 /nfs/dbraw/zinc/70/73/65/628707365.db2.gz CXWGQECSWLBWPJ-RKDXNWHRSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@H]1C ZINC000824925468 628707370 /nfs/dbraw/zinc/70/73/70/628707370.db2.gz CXWGQECSWLBWPJ-RKDXNWHRSA-N -1 3 319.800 3.139 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)CC(C)C ZINC000824998288 628714925 /nfs/dbraw/zinc/71/49/25/628714925.db2.gz NHVQBEXJNQFBIZ-OAHLLOKOSA-N -1 3 310.344 3.232 20 30 DGEDHM CCC1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000825184061 628735709 /nfs/dbraw/zinc/73/57/09/628735709.db2.gz QQKJZFALJMPVEG-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CCC1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000825184061 628735711 /nfs/dbraw/zinc/73/57/11/628735711.db2.gz QQKJZFALJMPVEG-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CCCCCCCCNC(=O)c1sccc1-c1nnn[n-]1 ZINC000825271602 628745102 /nfs/dbraw/zinc/74/51/02/628745102.db2.gz LIHNEFFBTVHWFP-UHFFFAOYSA-N -1 3 307.423 3.019 20 30 DGEDHM CCCCCCCCNC(=O)c1sccc1-c1nn[n-]n1 ZINC000825271602 628745106 /nfs/dbraw/zinc/74/51/06/628745106.db2.gz LIHNEFFBTVHWFP-UHFFFAOYSA-N -1 3 307.423 3.019 20 30 DGEDHM CC(C)(C)c1nsc([N-]C(=O)c2cc(C#N)ccc2F)n1 ZINC000825757860 628795018 /nfs/dbraw/zinc/79/50/18/628795018.db2.gz WVKMTOHNHLPVOD-UHFFFAOYSA-N -1 3 304.350 3.099 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826294416 628841364 /nfs/dbraw/zinc/84/13/64/628841364.db2.gz QSNUUAWOCTWDHL-WJDWOHSUSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826294416 628841367 /nfs/dbraw/zinc/84/13/67/628841367.db2.gz QSNUUAWOCTWDHL-WJDWOHSUSA-N -1 3 316.364 3.388 20 30 DGEDHM N#CCC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381569 628850490 /nfs/dbraw/zinc/85/04/90/628850490.db2.gz QKKFBSSYCPUZGU-MRXNPFEDSA-N -1 3 304.357 3.324 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826399805 628851550 /nfs/dbraw/zinc/85/15/50/628851550.db2.gz GTINCBAUHJSMQY-BHQIHCQQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826399805 628851552 /nfs/dbraw/zinc/85/15/52/628851552.db2.gz GTINCBAUHJSMQY-BHQIHCQQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475592 628852571 /nfs/dbraw/zinc/85/25/71/628852571.db2.gz KQCYZFYYAJDPGG-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475592 628852573 /nfs/dbraw/zinc/85/25/73/628852573.db2.gz KQCYZFYYAJDPGG-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM C=CC1(CC(=O)Nc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC000827764647 628989417 /nfs/dbraw/zinc/98/94/17/628989417.db2.gz LZRYBWJOSFXHFT-UHFFFAOYSA-N -1 3 311.389 3.332 20 30 DGEDHM C=CC1(CC(=O)Nc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC000827764647 628989420 /nfs/dbraw/zinc/98/94/20/628989420.db2.gz LZRYBWJOSFXHFT-UHFFFAOYSA-N -1 3 311.389 3.332 20 30 DGEDHM CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830063848 629221563 /nfs/dbraw/zinc/22/15/63/629221563.db2.gz KDMFMPSEDRWJSC-UGSOOPFHSA-N -1 3 324.380 3.433 20 30 DGEDHM Cc1cccnc1[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)C(C)C ZINC000832983569 629545113 /nfs/dbraw/zinc/54/51/13/629545113.db2.gz KUVWWDYJUFJRKA-AEFFLSMTSA-N -1 3 323.396 3.374 20 30 DGEDHM N#Cc1cccc([C@@H](NCc2ccc(F)c(Cl)c2)C(=O)[O-])c1 ZINC000833075036 629555314 /nfs/dbraw/zinc/55/53/14/629555314.db2.gz GXOYNFQJDYAUAZ-OAHLLOKOSA-N -1 3 318.735 3.266 20 30 DGEDHM C=C(Br)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833367208 629592916 /nfs/dbraw/zinc/59/29/16/629592916.db2.gz JCBCONASAWQNFG-LBPRGKRZSA-N -1 3 312.207 3.337 20 30 DGEDHM C=CCCOCCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000833374787 629594264 /nfs/dbraw/zinc/59/42/64/629594264.db2.gz DVRTYDKWOOASAF-ZDUSSCGKSA-N -1 3 318.200 3.301 20 30 DGEDHM CC(C)C[C@H](CNC(=O)[O-])N[C@H](C)c1ccc(C#N)cc1F ZINC000833794610 629651248 /nfs/dbraw/zinc/65/12/48/629651248.db2.gz LTDQOHBJLBNMJD-DGCLKSJQSA-N -1 3 307.369 3.030 20 30 DGEDHM N#Cc1cccc(CN[C@H]2C[C@@H](NC(=O)[O-])c3ccccc32)c1 ZINC000833978823 629664183 /nfs/dbraw/zinc/66/41/83/629664183.db2.gz YJVFUEIPBYBJHX-DLBZAZTESA-N -1 3 307.353 3.102 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1=CCCCC1 ZINC000835821375 630014436 /nfs/dbraw/zinc/01/44/36/630014436.db2.gz KCCXGDYNNBWQKV-UHFFFAOYSA-N -1 3 314.385 3.252 20 30 DGEDHM C=CCC1(CNC(=O)c2nnc3ccccc3c2[O-])CCCC1 ZINC000836990944 630198704 /nfs/dbraw/zinc/19/87/04/630198704.db2.gz LWGGCTJLCVTFEF-UHFFFAOYSA-N -1 3 311.385 3.202 20 30 DGEDHM C[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CS1 ZINC000840711513 630350929 /nfs/dbraw/zinc/35/09/29/630350929.db2.gz RHLUOSWNYVUPHE-NEKHMDMLSA-N -1 3 300.221 3.468 20 30 DGEDHM C=C[C@@H](C)ON=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000844626148 630744666 /nfs/dbraw/zinc/74/46/66/630744666.db2.gz YZEVKRFMALZPLV-SECBINFHSA-N -1 3 314.179 3.478 20 30 DGEDHM C=C[C@H](C)ON=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000844626149 630744689 /nfs/dbraw/zinc/74/46/89/630744689.db2.gz YZEVKRFMALZPLV-VIFPVBQESA-N -1 3 314.179 3.478 20 30 DGEDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)s1 ZINC000845826345 631197739 /nfs/dbraw/zinc/19/77/39/631197739.db2.gz NGHJQNWHYCMAKR-VIFPVBQESA-N -1 3 312.441 3.029 20 30 DGEDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)s1 ZINC000845826344 631197759 /nfs/dbraw/zinc/19/77/59/631197759.db2.gz NGHJQNWHYCMAKR-SECBINFHSA-N -1 3 312.441 3.029 20 30 DGEDHM CSC=CC([O-])=C(C#N)C(=O)c1cc2c(s1)CCCC2 ZINC000845839602 631198451 /nfs/dbraw/zinc/19/84/51/631198451.db2.gz YSFDXECXASHLPZ-MLRMMBSGSA-N -1 3 305.424 3.395 20 30 DGEDHM Cc1ccc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)o1 ZINC000845841467 631198573 /nfs/dbraw/zinc/19/85/73/631198573.db2.gz NNUHGEKJQSGBSZ-INIZCTEOSA-N -1 3 307.349 3.140 20 30 DGEDHM N#CC(C(=O)[C@@H]1C[C@H]1C(F)(F)F)=C([O-])C1(c2ccccc2)CC1 ZINC000845844004 631198824 /nfs/dbraw/zinc/19/88/24/631198824.db2.gz ODGUIVDTROZICC-FRRDWIJNSA-N -1 3 321.298 3.195 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1C[C@H]1C(F)(F)F ZINC000845844004 631198825 /nfs/dbraw/zinc/19/88/25/631198825.db2.gz ODGUIVDTROZICC-FRRDWIJNSA-N -1 3 321.298 3.195 20 30 DGEDHM N#CC(C(=O)[C@@H]1C[C@H]1C(F)(F)F)=C([O-])C1(c2ccccc2)CC1 ZINC000845844006 631198846 /nfs/dbraw/zinc/19/88/46/631198846.db2.gz ODGUIVDTROZICC-JHJVBQTASA-N -1 3 321.298 3.195 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1C[C@H]1C(F)(F)F ZINC000845844006 631198848 /nfs/dbraw/zinc/19/88/48/631198848.db2.gz ODGUIVDTROZICC-JHJVBQTASA-N -1 3 321.298 3.195 20 30 DGEDHM N#CCCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000847598724 631495665 /nfs/dbraw/zinc/49/56/65/631495665.db2.gz JHPAKOHXWYQRCY-UHFFFAOYSA-N -1 3 300.280 3.337 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cc2n(n1)CCCC2 ZINC000848639412 631715683 /nfs/dbraw/zinc/71/56/83/631715683.db2.gz TYLCQKHOIWSLIY-YWEFTTLKSA-N -1 3 312.344 3.448 20 30 DGEDHM C#CCCCS(=O)(=O)[N-]c1cc(C)ccc1C(F)(F)F ZINC000849337817 631895427 /nfs/dbraw/zinc/89/54/27/631895427.db2.gz FFBRMVHSIWIRPC-UHFFFAOYSA-N -1 3 305.321 3.169 20 30 DGEDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CC#N)C2)c1[O-] ZINC000852319622 632586424 /nfs/dbraw/zinc/58/64/24/632586424.db2.gz QNOITMFWAFMJIE-LBPRGKRZSA-N -1 3 306.793 3.374 20 30 DGEDHM CC[C@@H](NN=C(C)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC000793070576 661003332 /nfs/dbraw/zinc/00/33/32/661003332.db2.gz CMCCERLMVXXOKX-QGZVFWFLSA-N -1 3 317.433 3.244 20 30 DGEDHM CC[C@H](NN=C(C)c1ccc(N2CCCCCC2)cc1)C(=O)[O-] ZINC000793070574 661003418 /nfs/dbraw/zinc/00/34/18/661003418.db2.gz CMCCERLMVXXOKX-KRWDZBQOSA-N -1 3 317.433 3.244 20 30 DGEDHM COc1cc(/C=C\C(=O)c2ccnc(F)c2)cc(Cl)c1[O-] ZINC000794722125 661101444 /nfs/dbraw/zinc/10/14/44/661101444.db2.gz OLZVGWOSCMLADH-IHWYPQMZSA-N -1 3 307.708 3.484 20 30 DGEDHM O=C1C/C(=C\c2c(F)ccc([O-])c2F)C(=O)c2ccccc2N1 ZINC000794945662 661115661 /nfs/dbraw/zinc/11/56/61/661115661.db2.gz NXFLYYGHVIMNFX-VQHVLOKHSA-N -1 3 315.275 3.279 20 30 DGEDHM COc1cc(/C=C2/CCc3nn(C)cc3C2=O)cc(Cl)c1[O-] ZINC000794960483 661116909 /nfs/dbraw/zinc/11/69/09/661116909.db2.gz SYAJHDBMLILFCV-YHYXMXQVSA-N -1 3 318.760 3.000 20 30 DGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)c(F)c1 ZINC000811186868 661231099 /nfs/dbraw/zinc/23/10/99/661231099.db2.gz BNGZQBXYDDKBJD-SECBINFHSA-N -1 3 303.264 3.460 20 30 DGEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000071068568 660105542 /nfs/dbraw/zinc/10/55/42/660105542.db2.gz REUPMSRVZJPKMF-OAHLLOKOSA-N -1 3 324.380 3.312 20 30 DGEDHM C#C[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000934513744 661712139 /nfs/dbraw/zinc/71/21/39/661712139.db2.gz TUAITXOGTUMJQZ-LBPRGKRZSA-N -1 3 307.353 3.069 20 30 DGEDHM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193400413 662133309 /nfs/dbraw/zinc/13/33/09/662133309.db2.gz CILHWDXLGDJOBE-LBPRGKRZSA-N -1 3 302.717 3.203 20 30 DGEDHM CCSCc1cc(C(=O)[N-]c2cnc(Cl)cc2C#N)no1 ZINC001586414111 1192329041 /nfs/dbraw/zinc/32/90/41/1192329041.db2.gz IKRQGSXXMVALET-UHFFFAOYSA-N -1 3 322.777 3.100 20 30 DGEDHM N#Cc1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)c(F)c1 ZINC001586682881 1192344093 /nfs/dbraw/zinc/34/40/93/1192344093.db2.gz LPAIUOHETFHSIZ-UHFFFAOYSA-N -1 3 316.679 3.139 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC001588405757 1192445868 /nfs/dbraw/zinc/44/58/68/1192445868.db2.gz PHSPZIADANSCHB-VIFPVBQESA-N -1 3 305.407 3.031 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC001588405757 1192445874 /nfs/dbraw/zinc/44/58/74/1192445874.db2.gz PHSPZIADANSCHB-VIFPVBQESA-N -1 3 305.407 3.031 20 30 DGEDHM C=C(C)CCNc1c(Br)cccc1-c1nnn[n-]1 ZINC001588424963 1192447655 /nfs/dbraw/zinc/44/76/55/1192447655.db2.gz SCAJJLLPQPDBRY-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=C(C)CCNc1c(Br)cccc1-c1nn[n-]n1 ZINC001588424963 1192447657 /nfs/dbraw/zinc/44/76/57/1192447657.db2.gz SCAJJLLPQPDBRY-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001588496411 1192448412 /nfs/dbraw/zinc/44/84/12/1192448412.db2.gz QGRFFJHSJCDDBN-QGZVFWFLSA-N -1 3 314.389 3.300 20 30 DGEDHM C=CCC1(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001588557112 1192449723 /nfs/dbraw/zinc/44/97/23/1192449723.db2.gz YWMKQDOWZIWQQI-GFCCVEGCSA-N -1 3 312.373 3.217 20 30 DGEDHM C=CCC1(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001588557112 1192449725 /nfs/dbraw/zinc/44/97/25/1192449725.db2.gz YWMKQDOWZIWQQI-GFCCVEGCSA-N -1 3 312.373 3.217 20 30 DGEDHM C=CC[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588560580 1192450542 /nfs/dbraw/zinc/45/05/42/1192450542.db2.gz SLUPZYYPBZZKOI-ZWNOBZJWSA-N -1 3 318.812 3.462 20 30 DGEDHM C=CC[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588560580 1192450544 /nfs/dbraw/zinc/45/05/44/1192450544.db2.gz SLUPZYYPBZZKOI-ZWNOBZJWSA-N -1 3 318.812 3.462 20 30 DGEDHM C[C@@H](Nc1cc(F)ccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001589980297 1192479235 /nfs/dbraw/zinc/47/92/35/1192479235.db2.gz KRTXVGABZWFABI-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1cc(F)ccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001589980297 1192479236 /nfs/dbraw/zinc/47/92/36/1192479236.db2.gz KRTXVGABZWFABI-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589980468 1192479705 /nfs/dbraw/zinc/47/97/05/1192479705.db2.gz AMNVYXOHIXROJY-GFCCVEGCSA-N -1 3 304.357 3.106 20 30 DGEDHM C[C@@H](Nc1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589980468 1192479711 /nfs/dbraw/zinc/47/97/11/1192479711.db2.gz AMNVYXOHIXROJY-GFCCVEGCSA-N -1 3 304.357 3.106 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590161790 1192490521 /nfs/dbraw/zinc/49/05/21/1192490521.db2.gz ICMGBFYGVDCVGX-WULZRQGASA-N -1 3 320.327 3.389 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590161790 1192490524 /nfs/dbraw/zinc/49/05/24/1192490524.db2.gz ICMGBFYGVDCVGX-WULZRQGASA-N -1 3 320.327 3.389 20 30 DGEDHM CCCCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001590592846 1192529800 /nfs/dbraw/zinc/52/98/00/1192529800.db2.gz MQEHAQKQQBLTOB-UHFFFAOYSA-N -1 3 318.425 3.065 20 30 DGEDHM CCCCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001590592846 1192529805 /nfs/dbraw/zinc/52/98/05/1192529805.db2.gz MQEHAQKQQBLTOB-UHFFFAOYSA-N -1 3 318.425 3.065 20 30 DGEDHM CN(Cc1cccc(Cl)c1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591146575 1192560186 /nfs/dbraw/zinc/56/01/86/1192560186.db2.gz BTEKPJANLASNGD-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1cccc(Cl)c1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591146575 1192560190 /nfs/dbraw/zinc/56/01/90/1192560190.db2.gz BTEKPJANLASNGD-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CSCc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001591700248 1192570388 /nfs/dbraw/zinc/57/03/88/1192570388.db2.gz LWCCTOGYVAVHNA-UHFFFAOYSA-N -1 3 322.397 3.345 20 30 DGEDHM CSCc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001591700248 1192570391 /nfs/dbraw/zinc/57/03/91/1192570391.db2.gz LWCCTOGYVAVHNA-UHFFFAOYSA-N -1 3 322.397 3.345 20 30 DGEDHM Cc1cc(C)c(C#N)c(SCc2cccc(-c3nn[n-]n3)c2)n1 ZINC001591945972 1192582082 /nfs/dbraw/zinc/58/20/82/1192582082.db2.gz VKHKGUPXDBKWEQ-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1cc(C)c(C#N)c(SCc2cccc(-c3nnn[n-]3)c2)n1 ZINC001591945972 1192582073 /nfs/dbraw/zinc/58/20/73/1192582073.db2.gz VKHKGUPXDBKWEQ-UHFFFAOYSA-N -1 3 322.397 3.043 20 30 DGEDHM Cc1ccc(SCc2ccccc2-c2nnn[n-]2)c(C#N)c1 ZINC001592196467 1192599651 /nfs/dbraw/zinc/59/96/51/1192599651.db2.gz XVUSEVNCDKQRLU-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(SCc2ccccc2-c2nn[n-]n2)c(C#N)c1 ZINC001592196467 1192599653 /nfs/dbraw/zinc/59/96/53/1192599653.db2.gz XVUSEVNCDKQRLU-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc([C@@H]2C[C@H]2Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001592199111 1192601021 /nfs/dbraw/zinc/60/10/21/1192601021.db2.gz DOHBWPCXOLXGIY-JKSUJKDBSA-N -1 3 316.368 3.015 20 30 DGEDHM Cc1ccc([C@@H]2C[C@H]2Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001592199111 1192601024 /nfs/dbraw/zinc/60/10/24/1192601024.db2.gz DOHBWPCXOLXGIY-JKSUJKDBSA-N -1 3 316.368 3.015 20 30 DGEDHM Cc1ccc2c(NNc3ccc(-c4nn[n-]n4)cc3)csc2c1 ZINC001592205067 1192601773 /nfs/dbraw/zinc/60/17/73/1192601773.db2.gz HNDKOOVOSPPMOG-UHFFFAOYSA-N -1 3 322.397 3.097 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1C ZINC001592227220 1192603496 /nfs/dbraw/zinc/60/34/96/1192603496.db2.gz SUGGTSMGTCJZLD-ZHACJKMWSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1C ZINC001592227220 1192603497 /nfs/dbraw/zinc/60/34/97/1192603497.db2.gz SUGGTSMGTCJZLD-ZHACJKMWSA-N -1 3 304.353 3.380 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](C2CCC2)CC1 ZINC001592698862 1192626698 /nfs/dbraw/zinc/62/66/98/1192626698.db2.gz KVCSRIUMEXSKDG-CQSZACIVSA-N -1 3 322.416 3.145 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](C2CCC2)CC1 ZINC001592698862 1192626700 /nfs/dbraw/zinc/62/67/00/1192626700.db2.gz KVCSRIUMEXSKDG-CQSZACIVSA-N -1 3 322.416 3.145 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1cccc(Cl)c1 ZINC001592699905 1192627818 /nfs/dbraw/zinc/62/78/18/1192627818.db2.gz RHYSTHKJHPSNQW-UHFFFAOYSA-N -1 3 324.775 3.046 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1cccc(Cl)c1 ZINC001592699905 1192627819 /nfs/dbraw/zinc/62/78/19/1192627819.db2.gz RHYSTHKJHPSNQW-UHFFFAOYSA-N -1 3 324.775 3.046 20 30 DGEDHM N#Cc1cccc(C#N)c1Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC001592700649 1192627831 /nfs/dbraw/zinc/62/78/31/1192627831.db2.gz OAHAFBUIOMQERJ-UHFFFAOYSA-N -1 3 322.715 3.056 20 30 DGEDHM N#Cc1cccc(C#N)c1Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC001592700649 1192627834 /nfs/dbraw/zinc/62/78/34/1192627834.db2.gz OAHAFBUIOMQERJ-UHFFFAOYSA-N -1 3 322.715 3.056 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccc(Cl)cc1 ZINC001592699669 1192627874 /nfs/dbraw/zinc/62/78/74/1192627874.db2.gz HIBBNEIISQFPAD-UHFFFAOYSA-N -1 3 324.775 3.046 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccc(Cl)cc1 ZINC001592699669 1192627875 /nfs/dbraw/zinc/62/78/75/1192627875.db2.gz HIBBNEIISQFPAD-UHFFFAOYSA-N -1 3 324.775 3.046 20 30 DGEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)CSc2ccccc21 ZINC001593379084 1192630696 /nfs/dbraw/zinc/63/06/96/1192630696.db2.gz ASFMIZZNSOHSPO-LCYFTJDESA-N -1 3 320.377 3.239 20 30 DGEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)CSc2ccccc21 ZINC001593379084 1192630698 /nfs/dbraw/zinc/63/06/98/1192630698.db2.gz ASFMIZZNSOHSPO-LCYFTJDESA-N -1 3 320.377 3.239 20 30 DGEDHM O=C1C(=CC=Cc2ccccc2)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593376154 1192630733 /nfs/dbraw/zinc/63/07/33/1192630733.db2.gz AILTVCUWUFBBFF-ORWRBEDVSA-N -1 3 314.348 3.245 20 30 DGEDHM O=C1C(=CC=Cc2ccccc2)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593376154 1192630736 /nfs/dbraw/zinc/63/07/36/1192630736.db2.gz AILTVCUWUFBBFF-ORWRBEDVSA-N -1 3 314.348 3.245 20 30 DGEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)Oc2cccc(Cl)c21 ZINC001593376533 1192631111 /nfs/dbraw/zinc/63/11/11/1192631111.db2.gz SCDDGOBZFHYYQX-JYRVWZFOSA-N -1 3 324.727 3.136 20 30 DGEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)Oc2cccc(Cl)c21 ZINC001593376533 1192631112 /nfs/dbraw/zinc/63/11/12/1192631112.db2.gz SCDDGOBZFHYYQX-JYRVWZFOSA-N -1 3 324.727 3.136 20 30 DGEDHM Cc1nc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)oc1C ZINC001167301086 1176117342 /nfs/dbraw/zinc/11/73/42/1176117342.db2.gz RKHANBZYJSQJAV-UHFFFAOYSA-N -1 3 308.297 3.070 20 30 DGEDHM O=C(CCc1cncs1)N([O-])CCCCc1ccccc1 ZINC001334858443 1178815029 /nfs/dbraw/zinc/81/50/29/1178815029.db2.gz RGKXMSPJNKDJMX-UHFFFAOYSA-N -1 3 304.415 3.316 20 30 DGEDHM N#CCOc1ccc(Cl)cc1CN1CCCCC[C@@H]1C(=O)[O-] ZINC001601074333 1192915656 /nfs/dbraw/zinc/91/56/56/1192915656.db2.gz SOIYQLBZNSDZMW-CQSZACIVSA-N -1 3 322.792 3.072 20 30 DGEDHM N#CCOc1ccc(Cl)cc1CN1CCCCC[C@H]1C(=O)[O-] ZINC001601074332 1192915940 /nfs/dbraw/zinc/91/59/40/1192915940.db2.gz SOIYQLBZNSDZMW-AWEZNQCLSA-N -1 3 322.792 3.072 20 30 DGEDHM N#Cc1cccc([C@H](N[C@@H]2CCc3c2cccc3F)C(=O)[O-])c1 ZINC001601118891 1192920354 /nfs/dbraw/zinc/92/03/54/1192920354.db2.gz QDTFXUFWHPYYLH-SJORKVTESA-N -1 3 310.328 3.100 20 30 DGEDHM N#CC(=C([O-])c1cccs1)c1nccn1Cc1ccccc1 ZINC001342522833 1179149457 /nfs/dbraw/zinc/14/94/57/1179149457.db2.gz YYXBNRQQJBOJHS-CQSZACIVSA-N -1 3 307.378 3.483 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1cccc(F)n1 ZINC001347137530 1179782390 /nfs/dbraw/zinc/78/23/90/1179782390.db2.gz OSHZLDBSGHQKJD-DOGVGXBMSA-N -1 3 301.708 3.159 20 30 DGEDHM C[C@@H]1CCc2nc([N-]C(=O)c3cc(C4CC4)no3)c(C#N)cc2C1 ZINC001349966827 1179988429 /nfs/dbraw/zinc/98/84/29/1179988429.db2.gz FSIRZRMJUGSIKS-SNVBAGLBSA-N -1 3 322.368 3.196 20 30 DGEDHM C=C(CC)CN[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001602774574 1192997059 /nfs/dbraw/zinc/99/70/59/1192997059.db2.gz QQHOVVYIHYDDCZ-GFCCVEGCSA-N -1 3 303.280 3.267 20 30 DGEDHM C=CCC(C)(C)c1noc(-c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC001602811973 1192997918 /nfs/dbraw/zinc/99/79/18/1192997918.db2.gz UBNAIXADPSDNDQ-UHFFFAOYSA-N -1 3 310.361 3.079 20 30 DGEDHM C=CCC(C)(C)c1noc(-c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC001602811973 1192997921 /nfs/dbraw/zinc/99/79/21/1192997921.db2.gz UBNAIXADPSDNDQ-UHFFFAOYSA-N -1 3 310.361 3.079 20 30 DGEDHM C=CCCCC[C@H](C)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602834215 1192999296 /nfs/dbraw/zinc/99/92/96/1192999296.db2.gz KZEXHABAGARREY-LBPRGKRZSA-N -1 3 301.394 3.422 20 30 DGEDHM C=CCCCC[C@H](C)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602834215 1192999299 /nfs/dbraw/zinc/99/92/99/1192999299.db2.gz KZEXHABAGARREY-LBPRGKRZSA-N -1 3 301.394 3.422 20 30 DGEDHM C=CCCCN(CC)[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001602874831 1193001262 /nfs/dbraw/zinc/00/12/62/1193001262.db2.gz DEJRWTGPIAERSQ-GFCCVEGCSA-N -1 3 324.446 3.370 20 30 DGEDHM C=CCCCN(CC)[C@@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001602874832 1193001395 /nfs/dbraw/zinc/00/13/95/1193001395.db2.gz DEJRWTGPIAERSQ-LBPRGKRZSA-N -1 3 324.446 3.370 20 30 DGEDHM CC(C)(CCC#N)CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC001603139032 1193008493 /nfs/dbraw/zinc/00/84/93/1193008493.db2.gz BLRNWKFGMBHTAI-UHFFFAOYSA-N -1 3 304.785 3.262 20 30 DGEDHM CC(C)(CCC#N)CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC001603139032 1193008494 /nfs/dbraw/zinc/00/84/94/1193008494.db2.gz BLRNWKFGMBHTAI-UHFFFAOYSA-N -1 3 304.785 3.262 20 30 DGEDHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC001603190270 1193010820 /nfs/dbraw/zinc/01/08/20/1193010820.db2.gz JQUUJZPMGXKZKL-PXAZEXFGSA-N -1 3 312.344 3.249 20 30 DGEDHM C=CCC1(NC(=O)c2cc(NC(=O)C=C)ccc2[O-])CCCC1 ZINC001352444159 1180342136 /nfs/dbraw/zinc/34/21/36/1180342136.db2.gz TZGSDQJYBYOLAA-UHFFFAOYSA-N -1 3 314.385 3.135 20 30 DGEDHM CCC#C[C@@H](C)Sc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001603961309 1193040533 /nfs/dbraw/zinc/04/05/33/1193040533.db2.gz AXVVNVDUDSBPKZ-LLVKDONJSA-N -1 3 313.430 3.035 20 30 DGEDHM CCC#C[C@@H](C)Sc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001603961309 1193040536 /nfs/dbraw/zinc/04/05/36/1193040536.db2.gz AXVVNVDUDSBPKZ-LLVKDONJSA-N -1 3 313.430 3.035 20 30 DGEDHM C[C@H](CN(Cc1ccc(C#N)s1)Cc1ccccc1)C(=O)[O-] ZINC001604165857 1193058247 /nfs/dbraw/zinc/05/82/47/1193058247.db2.gz PDHRJMREGYGBKY-CYBMUJFWSA-N -1 3 314.410 3.343 20 30 DGEDHM C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cncc(C(=O)[O-])c1 ZINC001604329556 1193065362 /nfs/dbraw/zinc/06/53/62/1193065362.db2.gz SMOCGMHCDPJVDY-KPZWWZAWSA-N -1 3 321.380 3.380 20 30 DGEDHM C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cncc(C(=O)[O-])c1 ZINC001604329557 1193065596 /nfs/dbraw/zinc/06/55/96/1193065596.db2.gz SMOCGMHCDPJVDY-KZULUSFZSA-N -1 3 321.380 3.380 20 30 DGEDHM N#Cc1cscc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC001355366361 1181044822 /nfs/dbraw/zinc/04/48/22/1181044822.db2.gz HNRNBVYWXPKSQW-UHFFFAOYSA-N -1 3 318.408 3.452 20 30 DGEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(-c3ccco3)s2)c1 ZINC001356256085 1181164679 /nfs/dbraw/zinc/16/46/79/1181164679.db2.gz NUJWNODNLVPGPE-UHFFFAOYSA-N -1 3 314.301 3.061 20 30 DGEDHM CCc1[nH]nc(Cl)c1C(=O)N([O-])Cc1ccccc1Cl ZINC001651226235 1195429168 /nfs/dbraw/zinc/42/91/68/1195429168.db2.gz PXZGUARMKNQYIX-UHFFFAOYSA-N -1 3 314.172 3.311 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001605264092 1193137430 /nfs/dbraw/zinc/13/74/30/1193137430.db2.gz IXYQREJNTDQZLP-FPLPWBNLSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001605264092 1193137442 /nfs/dbraw/zinc/13/74/42/1193137442.db2.gz IXYQREJNTDQZLP-FPLPWBNLSA-N -1 3 320.352 3.080 20 30 DGEDHM C=CCOc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC001442169514 1182075641 /nfs/dbraw/zinc/07/56/41/1182075641.db2.gz BGCMNACHVZTRQT-UHFFFAOYSA-N -1 3 311.263 3.246 20 30 DGEDHM C=CCOc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC001442169514 1182075647 /nfs/dbraw/zinc/07/56/47/1182075647.db2.gz BGCMNACHVZTRQT-UHFFFAOYSA-N -1 3 311.263 3.246 20 30 DGEDHM CCC(C#N)=C([O-])N=c1sccn1Cc1ccccc1Cl ZINC001443288666 1182098520 /nfs/dbraw/zinc/09/85/20/1182098520.db2.gz JWYRWZHZRCTDPC-NSHDSACASA-N -1 3 319.817 3.228 20 30 DGEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001451322975 1182268133 /nfs/dbraw/zinc/26/81/33/1182268133.db2.gz CSJBQELUMZRTSG-CQSZACIVSA-N -1 3 324.359 3.014 20 30 DGEDHM C=CCCO[N-]C(=O)CCCOc1ccc2c(c1)CCCC2 ZINC001454239834 1182333407 /nfs/dbraw/zinc/33/34/07/1182333407.db2.gz NTWCWCLEOKTACO-UHFFFAOYSA-N -1 3 303.402 3.348 20 30 DGEDHM CC(=O)c1ccc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc1[O-] ZINC001546068968 1182361975 /nfs/dbraw/zinc/36/19/75/1182361975.db2.gz AAJPQULPUWOHNA-LLVKDONJSA-N -1 3 324.336 3.138 20 30 DGEDHM Cc1cc(F)c(-c2nnn[n-]2)c(N(CCC#N)CC(C)(C)C)c1 ZINC001605670470 1193163625 /nfs/dbraw/zinc/16/36/25/1193163625.db2.gz BIFULLAIDDPPEI-UHFFFAOYSA-N -1 3 316.384 3.080 20 30 DGEDHM Cc1cc(F)c(-c2nn[n-]n2)c(N(CCC#N)CC(C)(C)C)c1 ZINC001605670470 1193163626 /nfs/dbraw/zinc/16/36/26/1193163626.db2.gz BIFULLAIDDPPEI-UHFFFAOYSA-N -1 3 316.384 3.080 20 30 DGEDHM Cc1cccc2c1[n-]cc(C(=O)Nc1cccc(CC#N)c1)c2=O ZINC001457825065 1182483623 /nfs/dbraw/zinc/48/36/23/1182483623.db2.gz XMJCLPBGPQSDQW-UHFFFAOYSA-N -1 3 317.348 3.155 20 30 DGEDHM CC(C)Cn1ccc(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001458006899 1182489705 /nfs/dbraw/zinc/48/97/05/1182489705.db2.gz BWTMKRSQBBCTBS-UHFFFAOYSA-N -1 3 315.417 3.393 20 30 DGEDHM C[C@@H](Sc1ccccn1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001458016870 1182489806 /nfs/dbraw/zinc/48/98/06/1182489806.db2.gz OCVDHPDUTJEGNT-LLVKDONJSA-N -1 3 306.362 3.119 20 30 DGEDHM Cc1cccc(C#N)c1SCCc1ccc(-c2nnn[n-]2)cc1 ZINC001605899150 1193183286 /nfs/dbraw/zinc/18/32/86/1193183286.db2.gz BYMMUOXWCJTELJ-UHFFFAOYSA-N -1 3 321.409 3.382 20 30 DGEDHM Cc1cccc(C#N)c1SCCc1ccc(-c2nn[n-]n2)cc1 ZINC001605899150 1193183288 /nfs/dbraw/zinc/18/32/88/1193183288.db2.gz BYMMUOXWCJTELJ-UHFFFAOYSA-N -1 3 321.409 3.382 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2ncsc2C2CC2)c(F)c1 ZINC001462553233 1182968346 /nfs/dbraw/zinc/96/83/46/1182968346.db2.gz HAWDCFSQMINRIS-UHFFFAOYSA-N -1 3 305.309 3.423 20 30 DGEDHM Clc1ccsc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001606196676 1193195504 /nfs/dbraw/zinc/19/55/04/1193195504.db2.gz RHZZHVBBEAPIHM-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC001464073581 1183068409 /nfs/dbraw/zinc/06/84/09/1183068409.db2.gz MPVVVOBVAOTGGT-UHFFFAOYSA-N -1 3 312.394 3.258 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1SCc1ccccc1F ZINC001606379908 1193200109 /nfs/dbraw/zinc/20/01/09/1193200109.db2.gz GVXIVCIFXYRBRH-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1SCc1ccccc1F ZINC001606379908 1193200111 /nfs/dbraw/zinc/20/01/11/1193200111.db2.gz GVXIVCIFXYRBRH-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#CC[C@H](CC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001471976348 1183604270 /nfs/dbraw/zinc/60/42/70/1183604270.db2.gz XBQNSUFEQBJIJK-CQSZACIVSA-N -1 3 312.344 3.235 20 30 DGEDHM CC[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001472618320 1183657141 /nfs/dbraw/zinc/65/71/41/1183657141.db2.gz ZWCIUOSQNDJYAC-GFCCVEGCSA-N -1 3 305.205 3.051 20 30 DGEDHM O=C(c1ncccc1-c1ccccn1)N([O-])Cc1ccc(F)cc1 ZINC001472622335 1183658407 /nfs/dbraw/zinc/65/84/07/1183658407.db2.gz JKAQXHJSEMHVHI-UHFFFAOYSA-N -1 3 323.327 3.314 20 30 DGEDHM C#C[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001609020159 1193321316 /nfs/dbraw/zinc/32/13/16/1193321316.db2.gz STFQQEMVHZTIRX-ZDUSSCGKSA-N -1 3 324.775 3.010 20 30 DGEDHM C#C[C@H](Nc1nccc(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001609020159 1193321317 /nfs/dbraw/zinc/32/13/17/1193321317.db2.gz STFQQEMVHZTIRX-ZDUSSCGKSA-N -1 3 324.775 3.010 20 30 DGEDHM C=CCC(C)(C)c1noc(-c2cccc(-c3nnn[n-]3)c2C)n1 ZINC001609052594 1193322050 /nfs/dbraw/zinc/32/20/50/1193322050.db2.gz JBDRNBARVIXSEG-UHFFFAOYSA-N -1 3 310.361 3.079 20 30 DGEDHM C=CCC(C)(C)c1noc(-c2cccc(-c3nn[n-]n3)c2C)n1 ZINC001609052594 1193322052 /nfs/dbraw/zinc/32/20/52/1193322052.db2.gz JBDRNBARVIXSEG-UHFFFAOYSA-N -1 3 310.361 3.079 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)[C@H]1C ZINC001609154908 1193327221 /nfs/dbraw/zinc/32/72/21/1193327221.db2.gz JONDNFCVUUYPLE-SFYZADRCSA-N -1 3 324.310 3.329 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)[C@H]1C ZINC001609154908 1193327223 /nfs/dbraw/zinc/32/72/23/1193327223.db2.gz JONDNFCVUUYPLE-SFYZADRCSA-N -1 3 324.310 3.329 20 30 DGEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccccc1-c1nnn[n-]1 ZINC001609517903 1193343521 /nfs/dbraw/zinc/34/35/21/1193343521.db2.gz UJRHRBPFYOCHMC-JXMROGBWSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccccc1-c1nn[n-]n1 ZINC001609517903 1193343523 /nfs/dbraw/zinc/34/35/23/1193343523.db2.gz UJRHRBPFYOCHMC-JXMROGBWSA-N -1 3 310.744 3.416 20 30 DGEDHM C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001609776605 1193355348 /nfs/dbraw/zinc/35/53/48/1193355348.db2.gz RNPZQKRUWAQZQG-ZIAGYGMSSA-N -1 3 324.380 3.433 20 30 DGEDHM N#Cc1cccc([C@H](C(=O)[O-])N2Cc3ccccc3C3(CC3)C2)c1 ZINC001610630148 1193401829 /nfs/dbraw/zinc/40/18/29/1193401829.db2.gz KILFXIYCTSBYCT-GOSISDBHSA-N -1 3 318.376 3.231 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc2cncn21 ZINC001514848917 1186732145 /nfs/dbraw/zinc/73/21/45/1186732145.db2.gz SCTORYAZMWQBJL-CQSZACIVSA-N -1 3 322.393 3.467 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)ccc2cncn21 ZINC001515115265 1186744846 /nfs/dbraw/zinc/74/48/46/1186744846.db2.gz SSIMMMYXWVFSEI-CQSZACIVSA-N -1 3 316.320 3.274 20 30 DGEDHM CC(=O)c1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)ccc1C ZINC001520036047 1186911846 /nfs/dbraw/zinc/91/18/46/1186911846.db2.gz IVRATUMOANYFPP-ZDUSSCGKSA-N -1 3 315.760 3.075 20 30 DGEDHM N#Cc1ccc(F)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001525544126 1187320795 /nfs/dbraw/zinc/32/07/95/1187320795.db2.gz POTFWDSFDDKJMJ-UHFFFAOYSA-N -1 3 321.214 3.136 20 30 DGEDHM N#Cc1ccc(F)c([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c1 ZINC001528455976 1187490881 /nfs/dbraw/zinc/49/08/81/1187490881.db2.gz GWBIAWOKEXIQEJ-UHFFFAOYSA-N -1 3 321.214 3.136 20 30 DGEDHM CC(=O)c1cc(F)c([N-]C(=O)c2ccc(C#N)cc2F)c(F)c1 ZINC001535488291 1187963678 /nfs/dbraw/zinc/96/36/78/1187963678.db2.gz FQTSRDQFBQGIDY-UHFFFAOYSA-N -1 3 318.254 3.430 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)CCc2cncc3ccccc32)c1 ZINC001557921496 1189092504 /nfs/dbraw/zinc/09/25/04/1189092504.db2.gz YYWXGRUKZYPMPR-UHFFFAOYSA-N -1 3 317.348 3.149 20 30 DGEDHM C#CCSCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001559030635 1189163796 /nfs/dbraw/zinc/16/37/96/1189163796.db2.gz ASHDDRSIQPDHSE-UHFFFAOYSA-N -1 3 304.198 3.078 20 30 DGEDHM C#CCN(Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C(C)(C)C ZINC001560156770 1189285778 /nfs/dbraw/zinc/28/57/78/1189285778.db2.gz YJXJZOHVJDXEKJ-UHFFFAOYSA-N -1 3 319.788 3.386 20 30 DGEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC001561528653 1189447276 /nfs/dbraw/zinc/44/72/76/1189447276.db2.gz OFNQJTSZLYSNDI-SNVBAGLBSA-N -1 3 320.241 3.382 20 30 DGEDHM C=CCO[N-]C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC001569147521 1190642816 /nfs/dbraw/zinc/64/28/16/1190642816.db2.gz BJXPNMAGUQAONI-UHFFFAOYSA-N -1 3 306.749 3.161 20 30 DGEDHM C=CCO[N-]C(=O)Cc1cccc(OCc2cccc(C)c2)c1 ZINC001624256285 1193988467 /nfs/dbraw/zinc/98/84/67/1193988467.db2.gz RTFFUKXVNXOPRE-UHFFFAOYSA-N -1 3 311.381 3.350 20 30 DGEDHM N#Cc1cc(NC(=O)c2cc(F)cc3n[n-]nc32)ccc1C1CC1 ZINC001636741683 1194631489 /nfs/dbraw/zinc/63/14/89/1194631489.db2.gz HUEGGLYOGPIDBH-UHFFFAOYSA-N -1 3 321.315 3.098 20 30 DGEDHM Cc1cc(F)c(C#N)cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001637387139 1194666797 /nfs/dbraw/zinc/66/67/97/1194666797.db2.gz YMFPTFUCTCFBRU-UHFFFAOYSA-N -1 3 302.280 3.032 20 30 DGEDHM O=C(c1csc2cncn21)N([O-])Cc1ccccc1Cl ZINC001639054463 1194748765 /nfs/dbraw/zinc/74/87/65/1194748765.db2.gz NOPGJCMBEDFFMO-UHFFFAOYSA-N -1 3 307.762 3.081 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001639067183 1194749326 /nfs/dbraw/zinc/74/93/26/1194749326.db2.gz NXGCZBITAWKKKO-GJZGRUSLSA-N -1 3 306.362 3.496 20 30 DGEDHM O=C(C1SCCCS1)N([O-])CCCCc1ccccc1 ZINC001639062407 1194749420 /nfs/dbraw/zinc/74/94/20/1194749420.db2.gz NTEFIOYLOHSBNA-UHFFFAOYSA-N -1 3 311.472 3.423 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001639067185 1194749500 /nfs/dbraw/zinc/74/95/00/1194749500.db2.gz NXGCZBITAWKKKO-LSDHHAIUSA-N -1 3 306.362 3.496 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](C(=O)OC(C)(C)C)C(C)C ZINC001639067002 1194749523 /nfs/dbraw/zinc/74/95/23/1194749523.db2.gz GXFIJSRNFMJEBG-ZDUSSCGKSA-N -1 3 301.427 3.398 20 30 DGEDHM COc1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)c(C)c1 ZINC001639079007 1194749978 /nfs/dbraw/zinc/74/99/78/1194749978.db2.gz XIAQYRRTXGDJDA-UHFFFAOYSA-N -1 3 303.333 3.103 20 30 DGEDHM C=CCO[N-]C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC001640821670 1194829581 /nfs/dbraw/zinc/82/95/81/1194829581.db2.gz WTVVFCRWIAXXRV-UHFFFAOYSA-N -1 3 321.380 3.192 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC001641864755 1194875863 /nfs/dbraw/zinc/87/58/63/1194875863.db2.gz CSONZWBKAGGGFH-UHFFFAOYSA-N -1 3 305.353 3.423 20 30 DGEDHM N#CCn1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001642147905 1194889843 /nfs/dbraw/zinc/88/98/43/1194889843.db2.gz FWFSDERNDVCGIN-UHFFFAOYSA-N -1 3 318.134 3.054 20 30 DGEDHM C[C@H](CC(=O)[N-]Oc1cccc(C#N)c1)c1ccc(F)cc1F ZINC001643518023 1195031120 /nfs/dbraw/zinc/03/11/20/1195031120.db2.gz PNKAKEFNXFLNMY-LLVKDONJSA-N -1 3 316.307 3.440 20 30 DGEDHM CCCCN([O-])C(=O)CCc1cccc(Br)c1 ZINC001651229302 1195429488 /nfs/dbraw/zinc/42/94/88/1195429488.db2.gz KQXRCXQLPIEEMI-UHFFFAOYSA-N -1 3 300.196 3.400 20 30 DGEDHM COc1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(Cl)c1 ZINC000065833636 1195466466 /nfs/dbraw/zinc/46/64/66/1195466466.db2.gz TYRRDWSKEVZTRB-UHFFFAOYSA-N -1 3 322.773 3.021 20 30 DGEDHM CCCCCCN([O-])C(=O)Cn1cc(C)c(C(F)(F)F)n1 ZINC001654821371 1195844082 /nfs/dbraw/zinc/84/40/82/1195844082.db2.gz DQZORNNAYHGSCW-UHFFFAOYSA-N -1 3 307.316 3.008 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC001654821993 1195844508 /nfs/dbraw/zinc/84/45/08/1195844508.db2.gz RGLTZOJRMQMZCH-SNVBAGLBSA-N -1 3 316.195 3.234 20 30 DGEDHM C=C(C)CC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001664038835 1196966397 /nfs/dbraw/zinc/96/63/97/1196966397.db2.gz BDAJWGLHCZPAIC-UHFFFAOYSA-N -1 3 308.428 3.055 20 30 DGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1F ZINC001664747132 1197049609 /nfs/dbraw/zinc/04/96/09/1197049609.db2.gz HOOBVBYRYGAUQM-GFCCVEGCSA-N -1 3 324.402 3.188 20 30 DGEDHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1 ZINC000092131085 1198533632 /nfs/dbraw/zinc/53/36/32/1198533632.db2.gz MKNYUUCEAOIKAL-UHFFFAOYSA-N -1 3 304.346 3.001 20 30 DGEDHM C=CCN(CCOC)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000382481005 971816606 /nfs/dbraw/zinc/81/66/06/971816606.db2.gz OPQNMTIYGPKOFT-UHFFFAOYSA-N -1 3 323.389 3.373 20 30 DGEDHM C#CC[C@@H]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC001573303247 962674074 /nfs/dbraw/zinc/67/40/74/962674074.db2.gz NCDWGDLTBLDZBI-QMTHXVAHSA-N -1 3 312.196 3.464 20 30 DGEDHM N#Cc1cc(Cl)cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001605591883 973889278 /nfs/dbraw/zinc/88/92/78/973889278.db2.gz GBKTUKXNKJXEMF-OAHLLOKOSA-N -1 3 318.735 3.266 20 30 DGEDHM CCCN(Cc1ccc(C(=O)[O-])n1C)Cc1ccc(C#N)cc1 ZINC001595885948 982911839 /nfs/dbraw/zinc/91/18/39/982911839.db2.gz OVBSCJOYLPVYQT-UHFFFAOYSA-N -1 3 311.385 3.007 20 30 DGEDHM C=C(C)[C@H](NC[C@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(F)c(F)c1 ZINC001588535878 983591320 /nfs/dbraw/zinc/59/13/20/983591320.db2.gz RUKGEMLRHZKBLS-BIMULSAOSA-N -1 3 317.282 3.138 20 30 DGEDHM C=C(C)[C@H](NC[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(F)c(F)c1 ZINC001588535882 983591324 /nfs/dbraw/zinc/59/13/24/983591324.db2.gz RUKGEMLRHZKBLS-WQAKAFBOSA-N -1 3 317.282 3.138 20 30 DGEDHM N#CCc1ccc(C(F)(F)F)cc1NCc1ncccc1[O-] ZINC001169733610 1081646194 /nfs/dbraw/zinc/64/61/94/1081646194.db2.gz VBDVHAFWNGNSRN-UHFFFAOYSA-N -1 3 307.275 3.484 20 30 DGEDHM CCOc1cc(/C=C\C(=O)c2ccnn2C)cc(Cl)c1[O-] ZINC000588594765 1082830838 /nfs/dbraw/zinc/83/08/38/1082830838.db2.gz AAHACGQFAKDMHZ-PLNGDYQASA-N -1 3 306.749 3.074 20 30 DGEDHM N#Cc1ccc(Cn2cc(NCc3cccc(F)c3[O-])cn2)cc1 ZINC001183441800 1083949480 /nfs/dbraw/zinc/94/94/80/1083949480.db2.gz AECAHNCOVRAEIF-UHFFFAOYSA-N -1 3 322.343 3.260 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccn(-c2ccccc2F)n1 ZINC001184305815 1084143501 /nfs/dbraw/zinc/14/35/01/1084143501.db2.gz SETLAXAXASXKOS-UHFFFAOYSA-N -1 3 305.353 3.423 20 30 DGEDHM O=C(c1noc2c1CCCC2)N([O-])CCCCc1ccccc1 ZINC001184293430 1084156484 /nfs/dbraw/zinc/15/64/84/1084156484.db2.gz SEBLJLVGWUZFTC-UHFFFAOYSA-N -1 3 314.385 3.408 20 30 DGEDHM Cc1cc([O-])ccc1C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001186174000 1084612177 /nfs/dbraw/zinc/61/21/77/1084612177.db2.gz QBGLSWNRKPWASC-UHFFFAOYSA-N -1 3 321.258 3.238 20 30 DGEDHM C=CCC1(C[N-]S(=O)(=O)c2cnc(CC)s2)CCCC1 ZINC001211842756 1085698310 /nfs/dbraw/zinc/69/83/10/1085698310.db2.gz HFOVYZJGUVLJSV-UHFFFAOYSA-N -1 3 314.476 3.120 20 30 DGEDHM CC#C[C@H](CC)Oc1cccc([O-])c1I ZINC001227377370 1086586361 /nfs/dbraw/zinc/58/63/61/1086586361.db2.gz DKJNIBOQSDLIIX-VIFPVBQESA-N -1 3 316.138 3.178 20 30 DGEDHM C#C[C@H](CCC)Oc1cccc([O-])c1I ZINC001227381293 1086593389 /nfs/dbraw/zinc/59/33/89/1086593389.db2.gz PJCSVYTYYCFYIE-SECBINFHSA-N -1 3 316.138 3.178 20 30 DGEDHM C=C(CC)C[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001212155892 1087547516 /nfs/dbraw/zinc/54/75/16/1087547516.db2.gz NDHIKONFFHSSCH-UHFFFAOYSA-N -1 3 324.265 3.064 20 30 DGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1n[nH]c2cc(O)ccc21 ZINC001155261182 1089031857 /nfs/dbraw/zinc/03/18/57/1089031857.db2.gz IGLPUFVNGKDDLG-UHFFFAOYSA-N -1 3 318.292 3.139 20 30 DGEDHM Cc1cc(C#N)c(F)cc1NC(=O)c1cc([O-])cc2[nH]ccc21 ZINC001155963847 1089317963 /nfs/dbraw/zinc/31/79/63/1089317963.db2.gz NAFBZPQJNCSGMH-UHFFFAOYSA-N -1 3 309.300 3.445 20 30 DGEDHM C[C@@H](Oc1cccnc1)C(=O)N([O-])CCCCc1ccccc1 ZINC001161819037 1089422017 /nfs/dbraw/zinc/42/20/17/1089422017.db2.gz LTDKLQCNAWGRSC-OAHLLOKOSA-N -1 3 314.385 3.090 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC001161826529 1089426571 /nfs/dbraw/zinc/42/65/71/1089426571.db2.gz DWLYXPQMGKNXNV-UHFFFAOYSA-N -1 3 316.405 3.296 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](c1ccccc1)n1cccn1 ZINC001161826943 1089426759 /nfs/dbraw/zinc/42/67/59/1089426759.db2.gz QITPJFBWKFYKEW-INIZCTEOSA-N -1 3 301.390 3.271 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC001161826523 1089427599 /nfs/dbraw/zinc/42/75/99/1089427599.db2.gz DOKXRDCULDSJJS-UHFFFAOYSA-N -1 3 318.417 3.154 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001161833001 1089431868 /nfs/dbraw/zinc/43/18/68/1089431868.db2.gz WUZMCISLAVTORD-QWHCGFSZSA-N -1 3 314.426 3.088 20 30 DGEDHM C=CCN(c1nc(SC)nc(Cl)c1/C=N/[O-])C(C)(C)C ZINC001157585126 1090038928 /nfs/dbraw/zinc/03/89/28/1090038928.db2.gz WMAAZXAFQHJLBJ-OVCLIPMQSA-N -1 3 314.842 3.451 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCCC2CCC2)n1 ZINC001158048397 1090178436 /nfs/dbraw/zinc/17/84/36/1090178436.db2.gz FLIYCQWATFFXBW-VIZOYTHASA-N -1 3 300.815 3.262 20 30 DGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1[O-] ZINC001299259616 1090378535 /nfs/dbraw/zinc/37/85/35/1090378535.db2.gz OGRKKWYKBWOXCI-HNNXBMFYSA-N -1 3 311.381 3.318 20 30 DGEDHM O=C(c1cc2c[nH]ccc-2n1)N([O-])CCCCc1ccccc1 ZINC001649052381 1090577996 /nfs/dbraw/zinc/57/79/96/1090577996.db2.gz WTQVCFGMDPUTOG-UHFFFAOYSA-N -1 3 309.369 3.417 20 30 DGEDHM CCCCCCN([O-])C(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC001649057506 1090581131 /nfs/dbraw/zinc/58/11/31/1090581131.db2.gz ZNCQUACAFQPQKD-UHFFFAOYSA-N -1 3 316.442 3.478 20 30 DGEDHM N#Cc1ncccc1SCc1nnc(-c2ccccc2[O-])o1 ZINC001166182456 1090584972 /nfs/dbraw/zinc/58/49/72/1090584972.db2.gz DQIQSLKQNOWZKG-UHFFFAOYSA-N -1 3 310.338 3.001 20 30 DGEDHM COc1cccnc1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC001649070395 1090588782 /nfs/dbraw/zinc/58/87/82/1090588782.db2.gz ZHGVGHFQRVVELT-UHFFFAOYSA-N -1 3 322.364 3.204 20 30 DGEDHM CC(C)c1ccc(C(=O)NCCc2ccc(C#N)cc2)c([O-])c1 ZINC001166517260 1090611465 /nfs/dbraw/zinc/61/14/65/1090611465.db2.gz ASNQCADDXDRECM-UHFFFAOYSA-N -1 3 308.381 3.360 20 30 DGEDHM CCCCCCCC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC001295154763 1091516704 /nfs/dbraw/zinc/51/67/04/1091516704.db2.gz IZMYFYVKIKCRAN-ZDUSSCGKSA-N -1 3 316.442 3.308 20 30 DGEDHM [O-]/N=C/c1cccc(-c2ccc(CN3CCOCC3)cc2F)c1 ZINC001206719067 1091711739 /nfs/dbraw/zinc/71/17/39/1091711739.db2.gz AHNCMAMMHBPTEO-UDWIEESQSA-N -1 3 314.360 3.133 20 30 DGEDHM Cc1nc2ccccc2c(C(=O)N[C@](C)(C#N)CC(C)C)c1[O-] ZINC001149206342 1092669364 /nfs/dbraw/zinc/66/93/64/1092669364.db2.gz OHVRAZYWNQBLTB-SFHVURJKSA-N -1 3 311.385 3.307 20 30 DGEDHM COc1ccc([C@@H](C)CC(=O)[N-]Oc2cccc(C#N)c2)cc1 ZINC001151431585 1092898446 /nfs/dbraw/zinc/89/84/46/1092898446.db2.gz CHSZVJORQFTYOE-ZDUSSCGKSA-N -1 3 310.353 3.171 20 30 DGEDHM Cc1cc(C#N)c([N-]C(=O)c2ncnc3ccsc32)s1 ZINC001151522775 1092915002 /nfs/dbraw/zinc/91/50/02/1092915002.db2.gz PPGTZMKICJCUHQ-UHFFFAOYSA-N -1 3 300.368 3.185 20 30 DGEDHM Cc1cc(C#N)ccc1Nc1ncc(Br)cc1[O-] ZINC001210374510 1093144584 /nfs/dbraw/zinc/14/45/84/1093144584.db2.gz MLKYLJJRFSLPEK-UHFFFAOYSA-N -1 3 304.147 3.473 20 30 DGEDHM Cc1ccc(Nc2ncc(Br)cc2[O-])c(C#N)c1 ZINC001210565426 1093212411 /nfs/dbraw/zinc/21/24/11/1093212411.db2.gz MSLIVXLEVLHUSZ-UHFFFAOYSA-N -1 3 304.147 3.473 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(C)cc1C#N ZINC001210568724 1093214308 /nfs/dbraw/zinc/21/43/08/1093214308.db2.gz RTYMOSDWYQWYFL-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM N#Cc1cc(Nc2ccc(Br)cc2[O-])ccc1N ZINC001213436131 1093587295 /nfs/dbraw/zinc/58/72/95/1093587295.db2.gz SBCNNBXUOCZWQQ-UHFFFAOYSA-N -1 3 304.147 3.352 20 30 DGEDHM N#Cc1cccc(-c2noc(-c3[n-]nc4c3cccc4F)n2)c1 ZINC001217323613 1094374702 /nfs/dbraw/zinc/37/47/02/1094374702.db2.gz VIGZBQPAOWMJIH-UHFFFAOYSA-N -1 3 305.272 3.291 20 30 DGEDHM COc1ccc(-c2nnn[n-]2)cc1-c1c(C)cc(C#N)cc1C ZINC001222662627 1095712811 /nfs/dbraw/zinc/71/28/11/1095712811.db2.gz AIBBOGVOWFHNIW-UHFFFAOYSA-N -1 3 305.341 3.031 20 30 DGEDHM COc1ccc(-c2nn[n-]n2)cc1-c1c(C)cc(C#N)cc1C ZINC001222662627 1095712817 /nfs/dbraw/zinc/71/28/17/1095712817.db2.gz AIBBOGVOWFHNIW-UHFFFAOYSA-N -1 3 305.341 3.031 20 30 DGEDHM COC(=O)c1cccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC001340356443 1095938877 /nfs/dbraw/zinc/93/88/77/1095938877.db2.gz HJNMWLFWXFWTJN-VURMDHGXSA-N -1 3 312.321 3.084 20 30 DGEDHM COc1ccc([C@H](C)O/C(=N\[O-])c2ccccn2)cc1OC ZINC001223976508 1096107900 /nfs/dbraw/zinc/10/79/00/1096107900.db2.gz ULQGUKKXUZBTQQ-QHKYSRAXSA-N -1 3 302.330 3.012 20 30 DGEDHM CCCCCCCCCCN(C)C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC001147696432 1096258344 /nfs/dbraw/zinc/25/83/44/1096258344.db2.gz SVSGCDBKMOQUFP-UHFFFAOYSA-N -1 3 309.410 3.101 20 30 DGEDHM C=CC[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001148643103 1096410209 /nfs/dbraw/zinc/41/02/09/1096410209.db2.gz KVIPNDDAWXFWKT-NSHDSACASA-N -1 3 316.788 3.220 20 30 DGEDHM C[C@@H](C#N)c1cccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c1 ZINC001148616977 1096412992 /nfs/dbraw/zinc/41/29/92/1096412992.db2.gz CACIYSPOFAACJS-JTQLQIEISA-N -1 3 306.325 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@H](Oc2[n-]c(C)cc(=O)c2C#N)C(C)(C)O1 ZINC001225469761 1096441060 /nfs/dbraw/zinc/44/10/60/1096441060.db2.gz NWQJHQSULJJUDT-WMLDXEAASA-N -1 3 302.374 3.248 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCCN(c3ccccc3)C2)[n-]1 ZINC001225470740 1096441424 /nfs/dbraw/zinc/44/14/24/1096441424.db2.gz ZQYOFQBMNAJHPD-OAHLLOKOSA-N -1 3 309.369 3.015 20 30 DGEDHM CC(C)(CCC#N)c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC001148907915 1096464441 /nfs/dbraw/zinc/46/44/41/1096464441.db2.gz BVPFJKDXSAPDFW-UHFFFAOYSA-N -1 3 323.396 3.299 20 30 DGEDHM C[C@@H](Oc1[n-]c(=O)ncc1C(F)(F)F)c1ccccc1C#N ZINC001225575941 1096472076 /nfs/dbraw/zinc/47/20/76/1096472076.db2.gz ACVODAJASDLRCH-MRVPVSSYSA-N -1 3 309.247 3.213 20 30 DGEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(C2(C#N)CCCCC2)cc1 ZINC001171365944 1096530985 /nfs/dbraw/zinc/53/09/85/1096530985.db2.gz NAPHZOACSJLAPY-BBRMVZONSA-N -1 3 313.401 3.060 20 30 DGEDHM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cccc(/C=N/[O-])c1 ZINC001226109140 1096614544 /nfs/dbraw/zinc/61/45/44/1096614544.db2.gz CNDITTLOQRISGV-KOQKZHBHSA-N -1 3 320.389 3.129 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC(Oc2cccc(/C=N/[O-])c2)CC1 ZINC001226109984 1096614911 /nfs/dbraw/zinc/61/49/11/1096614911.db2.gz LUXBPMWIWYRTLO-LDADJPATSA-N -1 3 320.389 3.273 20 30 DGEDHM COc1cccc(OC[C@@H](C)Oc2cccc(/C=N/[O-])c2)c1 ZINC001226113796 1096616012 /nfs/dbraw/zinc/61/60/12/1096616012.db2.gz AJMNLPNMTNRPDG-VBEHJTROSA-N -1 3 301.342 3.350 20 30 DGEDHM C[C@H](Oc1nccc(/C=N/[O-])n1)c1cccc(Br)c1 ZINC001226256764 1096647629 /nfs/dbraw/zinc/64/76/29/1096647629.db2.gz WBQPCBGQAULTBT-VKPPLCHCSA-N -1 3 322.162 3.187 20 30 DGEDHM N#C[C@H](Oc1[n-]c(=S)nc2c1CCC2)c1ccccc1F ZINC001226299412 1096656451 /nfs/dbraw/zinc/65/64/51/1096656451.db2.gz ASFWFUNVZWNDPU-ZDUSSCGKSA-N -1 3 301.346 3.037 20 30 DGEDHM Cc1nnc(=O)[n-]c1O[C@@H](C#Cc1ccccc1)c1ccccc1 ZINC001226465189 1096696036 /nfs/dbraw/zinc/69/60/36/1096696036.db2.gz VPJZZZBYTGHVNR-KRWDZBQOSA-N -1 3 317.348 3.057 20 30 DGEDHM CC1=C(Oc2nc3cc(Cl)c(Cl)cc3[n-]2)C(=O)[C@@H](C)O1 ZINC001227272879 1096909833 /nfs/dbraw/zinc/90/98/33/1096909833.db2.gz UXLGLOWRRBLRBT-RXMQYKEDSA-N -1 3 313.140 3.468 20 30 DGEDHM COC(=O)[C@H](Oc1cc(C#N)ccc1[O-])c1ccccc1Cl ZINC001227348824 1096918428 /nfs/dbraw/zinc/91/84/28/1096918428.db2.gz CWEYOVABRIXPFM-OAHLLOKOSA-N -1 3 317.728 3.210 20 30 DGEDHM CCOC(=O)C[C@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227346794 1096918661 /nfs/dbraw/zinc/91/86/61/1096918661.db2.gz WYHOJWXDRZHGBS-INIZCTEOSA-N -1 3 311.337 3.337 20 30 DGEDHM Cc1ccc(N2CCC[C@@H](Oc3cc(C#N)ccc3[O-])C2)nc1 ZINC001227351753 1096919341 /nfs/dbraw/zinc/91/93/41/1096919341.db2.gz YQUGCFBQBCHOAF-OAHLLOKOSA-N -1 3 309.369 3.015 20 30 DGEDHM 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ZINC000528520807 340722606 /nfs/dbraw/zinc/72/26/06/340722606.db2.gz NOLPXOMYUJZSGU-UHFFFAOYSA-N -1 3 310.191 3.193 20 30 DGEDHM N#CC1(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000564280115 341091889 /nfs/dbraw/zinc/09/18/89/341091889.db2.gz AMLYVLAKOIAAQF-UHFFFAOYSA-N -1 3 308.337 3.218 20 30 DGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000549722819 341301398 /nfs/dbraw/zinc/30/13/98/341301398.db2.gz YIYGUPFENXNWMJ-UHFFFAOYSA-N -1 3 304.774 3.161 20 30 DGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000564567465 341504114 /nfs/dbraw/zinc/50/41/14/341504114.db2.gz KQHVSYAQSCXFLQ-LLVKDONJSA-N -1 3 321.229 3.210 20 30 DGEDHM COc1ccc([O-])c(C(=O)N[C@H](CCC#N)c2ccccc2)c1 ZINC000156934990 534197952 /nfs/dbraw/zinc/19/79/52/534197952.db2.gz VLQMHRQSOPPXAF-MRXNPFEDSA-N -1 3 310.353 3.176 20 30 DGEDHM Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1[O-] ZINC000159368381 534610353 /nfs/dbraw/zinc/61/03/53/534610353.db2.gz YNPAVYXWLSUEFE-AWEZNQCLSA-N -1 3 300.745 3.349 20 30 DGEDHM C=CCN(Cc1cccs1)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000345668670 526379795 /nfs/dbraw/zinc/37/97/95/526379795.db2.gz VZKKPMBNLLWOQJ-GFCCVEGCSA-N -1 3 305.403 3.060 20 30 DGEDHM C=CCNc1ncc(C(=O)[N-]c2nnc(CC(C)C)s2)s1 ZINC000136121141 526683053 /nfs/dbraw/zinc/68/30/53/526683053.db2.gz SXCFCZHFYIUDKA-UHFFFAOYSA-N -1 3 323.447 3.043 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000345045107 527033962 /nfs/dbraw/zinc/03/39/62/527033962.db2.gz SWZWNPFUZQVXGD-UHFFFAOYSA-N -1 3 318.327 3.457 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000345045107 527033965 /nfs/dbraw/zinc/03/39/65/527033965.db2.gz SWZWNPFUZQVXGD-UHFFFAOYSA-N -1 3 318.327 3.457 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000345045107 527033969 /nfs/dbraw/zinc/03/39/69/527033969.db2.gz SWZWNPFUZQVXGD-UHFFFAOYSA-N -1 3 318.327 3.457 20 30 DGEDHM CC(=O)c1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1[O-] ZINC000331356693 527220490 /nfs/dbraw/zinc/22/04/90/527220490.db2.gz SFYTUMLCGZUNDM-UHFFFAOYSA-N -1 3 318.417 3.021 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc1[O-] ZINC000331355481 527221662 /nfs/dbraw/zinc/22/16/62/527221662.db2.gz QRZRNRWKTCCUEE-CJNGLKHVSA-N -1 3 305.374 3.103 20 30 DGEDHM C=Cc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000340365530 527643954 /nfs/dbraw/zinc/64/39/54/527643954.db2.gz KZAYOKGZTMWJEA-OAHLLOKOSA-N -1 3 306.369 3.138 20 30 DGEDHM CC(C)CCN(CCC#N)C(=O)Cc1ccc([O-])cc1Cl ZINC000157661610 527712154 /nfs/dbraw/zinc/71/21/54/527712154.db2.gz PFUCOBLMZOLOGT-UHFFFAOYSA-N -1 3 308.809 3.376 20 30 DGEDHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169262099 527844180 /nfs/dbraw/zinc/84/41/80/527844180.db2.gz IHYGMQNYPBAYTE-NSHDSACASA-N -1 3 314.838 3.315 20 30 DGEDHM CCCN1Cc2cccc(/N=C/c3ccc(O)c([O-])c3O)c2C1 ZINC000171157298 528327052 /nfs/dbraw/zinc/32/70/52/528327052.db2.gz YJXFGWZZGVHEJA-DJKKODMXSA-N -1 3 312.369 3.280 20 30 DGEDHM CCN(C[C@H](C)C#N)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000162528879 528704807 /nfs/dbraw/zinc/70/48/07/528704807.db2.gz JBSXPCVKGYIKBH-GFCCVEGCSA-N -1 3 311.385 3.179 20 30 DGEDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443505128 529322348 /nfs/dbraw/zinc/32/23/48/529322348.db2.gz XLPMTZZNCSGABG-ZWNOBZJWSA-N -1 3 312.822 3.069 20 30 DGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(-n2cccc2)cc1 ZINC000078868665 545755536 /nfs/dbraw/zinc/75/55/36/545755536.db2.gz GKBPFUWONLUEGV-UHFFFAOYSA-N -1 3 319.324 3.492 20 30 DGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(-n2cccc2)cc1 ZINC000078868665 545755539 /nfs/dbraw/zinc/75/55/39/545755539.db2.gz GKBPFUWONLUEGV-UHFFFAOYSA-N -1 3 319.324 3.492 20 30 DGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(-n2cccc2)cc1 ZINC000078868665 545755543 /nfs/dbraw/zinc/75/55/43/545755543.db2.gz GKBPFUWONLUEGV-UHFFFAOYSA-N -1 3 319.324 3.492 20 30 DGEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281651654 546389136 /nfs/dbraw/zinc/38/91/36/546389136.db2.gz YNOSODLTHWSCKT-KSSFIOAISA-N -1 3 311.381 3.256 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4ccsc4[nH]3)nc1-2 ZINC000674299557 548059075 /nfs/dbraw/zinc/05/90/75/548059075.db2.gz PHFHXQCEBLUYDR-SNVBAGLBSA-N -1 3 321.365 3.299 20 30 DGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(C)cc(C)c1 ZINC000730433632 574529254 /nfs/dbraw/zinc/52/92/54/574529254.db2.gz RCQXUCKYSKVOMG-UHFFFAOYSA-N -1 3 316.426 3.147 20 30 DGEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cc([O-])cs2)c1C ZINC000731909140 574561805 /nfs/dbraw/zinc/56/18/05/574561805.db2.gz AZLZGVFILSQRAN-UHFFFAOYSA-N -1 3 319.382 3.098 20 30 DGEDHM CC(C)(C)OC(=O)N1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000731937067 574563120 /nfs/dbraw/zinc/56/31/20/574563120.db2.gz GMDJNXPWUHGAPV-OCTXWABXSA-N -1 3 324.808 3.474 20 30 DGEDHM N#CC(=C([O-])C=CC1CCOCC1)c1ccc2ccccc2n1 ZINC000732707602 574579546 /nfs/dbraw/zinc/57/95/46/574579546.db2.gz BBXDCLGGCCOOJE-KQQSKNTNSA-N -1 3 306.365 3.394 20 30 DGEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000733809803 574639149 /nfs/dbraw/zinc/63/91/49/574639149.db2.gz HVIZZZDXLVXCSS-ZDUSSCGKSA-N -1 3 316.382 3.065 20 30 DGEDHM CCOc1ccc(/C=N/[C@H]2CCCc3nc(C)ncc32)c([O-])c1 ZINC000734752497 574675595 /nfs/dbraw/zinc/67/55/95/574675595.db2.gz FBYTXNFHCHVKPB-UWSDUSPXSA-N -1 3 311.385 3.386 20 30 DGEDHM C=CCCCCCN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000735408886 574701033 /nfs/dbraw/zinc/70/10/33/574701033.db2.gz UKYAMCWSVBGXSK-UHFFFAOYSA-N -1 3 303.385 3.184 20 30 DGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C)c(C)c1O ZINC000735451289 574703265 /nfs/dbraw/zinc/70/32/65/574703265.db2.gz XFKSHTLGVMIHBD-UHFFFAOYSA-N -1 3 322.372 3.025 20 30 DGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C)c(C)c1O ZINC000735451289 574703266 /nfs/dbraw/zinc/70/32/66/574703266.db2.gz XFKSHTLGVMIHBD-UHFFFAOYSA-N -1 3 322.372 3.025 20 30 DGEDHM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1cc(C)cc(C)c1 ZINC000735451102 574702201 /nfs/dbraw/zinc/70/22/01/574702201.db2.gz OVIGGKPRSQJUND-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(C)cc(C)c1 ZINC000735451102 574702203 /nfs/dbraw/zinc/70/22/03/574702203.db2.gz OVIGGKPRSQJUND-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM COc1cc(C=NNc2c(F)cccc2F)c([N+](=O)[O-])cc1[O-] ZINC000735614935 574709546 /nfs/dbraw/zinc/70/95/46/574709546.db2.gz FQZVDBMPJXNENE-UHFFFAOYSA-N -1 3 323.255 3.033 20 30 DGEDHM Cc1ccc(C)c2c1NC(=O)C2=N[N-]c1c(F)cccc1F ZINC000735614914 574709883 /nfs/dbraw/zinc/70/98/83/574709883.db2.gz HOLMSSJGCAOVEF-UHFFFAOYSA-N -1 3 301.296 3.350 20 30 DGEDHM CC(CSC(C)(C)C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736047817 574729343 /nfs/dbraw/zinc/72/93/43/574729343.db2.gz SARUPDKNODWSMY-UHFFFAOYSA-N -1 3 304.423 3.186 20 30 DGEDHM CC(CSC(C)(C)C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736047817 574729345 /nfs/dbraw/zinc/72/93/45/574729345.db2.gz SARUPDKNODWSMY-UHFFFAOYSA-N -1 3 304.423 3.186 20 30 DGEDHM COc1ccc(C=CC(=O)c2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000737082533 574822672 /nfs/dbraw/zinc/82/26/72/574822672.db2.gz WWHUSMUKDLUJCJ-SOFGYWHQSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000737082533 574822675 /nfs/dbraw/zinc/82/26/75/574822675.db2.gz WWHUSMUKDLUJCJ-SOFGYWHQSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(CCNN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000737439917 574843904 /nfs/dbraw/zinc/84/39/04/574843904.db2.gz OFDDBSQCRXJWML-UHFFFAOYSA-N -1 3 304.777 3.220 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289176 574864664 /nfs/dbraw/zinc/86/46/64/574864664.db2.gz GZXYZUXQORXASQ-XFXZXTDPSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289176 574864666 /nfs/dbraw/zinc/86/46/66/574864666.db2.gz GZXYZUXQORXASQ-XFXZXTDPSA-N -1 3 308.366 3.141 20 30 DGEDHM N#Cc1ccc([C@H](NCc2ccc(Cl)s2)C(=O)[O-])cc1 ZINC000739107032 574892340 /nfs/dbraw/zinc/89/23/40/574892340.db2.gz OOZAADXQUYMARH-ZDUSSCGKSA-N -1 3 306.774 3.189 20 30 DGEDHM CCOc1ccc(/C=N/C[C@@H](CC(C)C)C(=O)OC)c([O-])c1 ZINC000741464176 574958640 /nfs/dbraw/zinc/95/86/40/574958640.db2.gz LVNSKTJRILWGHE-YFEUJDIGSA-N -1 3 307.390 3.045 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@@H](C)Oc1cccc(F)c1 ZINC000741841498 574973296 /nfs/dbraw/zinc/97/32/96/574973296.db2.gz AKAGJJARPSSMRT-ZGXHQARYSA-N -1 3 303.333 3.426 20 30 DGEDHM C#CCCC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000742333737 574990736 /nfs/dbraw/zinc/99/07/36/574990736.db2.gz PVKYRTHQIOLZAA-UHFFFAOYSA-N -1 3 320.241 3.302 20 30 DGEDHM COc1cccc([O-])c1/C=N/Cc1nc(-c2cccs2)no1 ZINC000743538833 575056085 /nfs/dbraw/zinc/05/60/85/575056085.db2.gz PHFQKYRBSXDHOJ-LZYBPNLTSA-N -1 3 315.354 3.131 20 30 DGEDHM O=C1C(=N[N-]c2c(F)cccc2F)CCN1Cc1ccccc1 ZINC000743440549 575051318 /nfs/dbraw/zinc/05/13/18/575051318.db2.gz ROOZXTKGCRGJSD-UHFFFAOYSA-N -1 3 315.323 3.165 20 30 DGEDHM CC(=O)Nc1ccc([O-])c(C(C)=NNc2ccc(Cl)nc2)c1 ZINC000743452111 575052456 /nfs/dbraw/zinc/05/24/56/575052456.db2.gz RDMBNFVCKFBODB-UHFFFAOYSA-N -1 3 318.764 3.235 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CCCc2cccc(Cl)c2)c1[O-] ZINC000745625418 575407438 /nfs/dbraw/zinc/40/74/38/575407438.db2.gz ADVNPOKWBSBNPU-VXLYETTFSA-N -1 3 318.804 3.293 20 30 DGEDHM C[C@H](/N=C\c1ccc(O)c([O-])c1O)c1cccc(-n2cccn2)c1 ZINC000745977505 575425737 /nfs/dbraw/zinc/42/57/37/575425737.db2.gz WXPRSKUNJOBPEM-XHEYCZLTSA-N -1 3 323.352 3.169 20 30 DGEDHM COc1cccc([O-])c1/C=N/Cc1ccc2c(c1)CCCN2C ZINC000746683807 575470250 /nfs/dbraw/zinc/47/02/50/575470250.db2.gz PPZSIZILAKXIFQ-DEDYPNTBSA-N -1 3 310.397 3.402 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCN(CC(F)(F)F)C1 ZINC000747033373 575491164 /nfs/dbraw/zinc/49/11/64/575491164.db2.gz QUUWSSRLODXMFT-XKRMMWHISA-N -1 3 306.715 3.101 20 30 DGEDHM COc1cc(C(=O)OCC#Cc2ccccc2Cl)ccc1[O-] ZINC000747081342 575494649 /nfs/dbraw/zinc/49/46/49/575494649.db2.gz BYMIRKWPPWDNCC-UHFFFAOYSA-N -1 3 316.740 3.263 20 30 DGEDHM CC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccc(OC)cc1 ZINC000747712705 575534790 /nfs/dbraw/zinc/53/47/90/575534790.db2.gz DRLDBXLANZVVSE-GTNUZRKBSA-N -1 3 314.385 3.167 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCCSC1 ZINC000749007150 575620496 /nfs/dbraw/zinc/62/04/96/575620496.db2.gz BWVMSYMZMKFBRI-NGPAHMQLSA-N -1 3 300.221 3.469 20 30 DGEDHM C=CCNC(=S)NN=Cc1cc(-c2ccccc2)ccc1[O-] ZINC000749442823 575656506 /nfs/dbraw/zinc/65/65/06/575656506.db2.gz HGKWKFGCIZRNIZ-UHFFFAOYSA-N -1 3 311.410 3.043 20 30 DGEDHM COC(=O)c1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)o1 ZINC000749451076 575657184 /nfs/dbraw/zinc/65/71/84/575657184.db2.gz FHQHNFRDWIHWFS-RYGSOJJJSA-N -1 3 316.284 3.294 20 30 DGEDHM COc1cc(/C=C2/Oc3ccc(F)cc3C2=O)cc(OC)c1[O-] ZINC000749746574 575674988 /nfs/dbraw/zinc/67/49/88/575674988.db2.gz LTUGAXAWAYBONB-VIZOYTHASA-N -1 3 316.284 3.165 20 30 DGEDHM N#CCCN(Cc1c([O-])ccc2ccncc21)CC(F)(F)F ZINC000749955563 575692279 /nfs/dbraw/zinc/69/22/79/575692279.db2.gz NXDBVPCSQSLZJB-UHFFFAOYSA-N -1 3 309.291 3.218 20 30 DGEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)C1CCCCC1 ZINC000750936506 575762870 /nfs/dbraw/zinc/76/28/70/575762870.db2.gz UPQKUAXKQAETIT-UHFFFAOYSA-N -1 3 308.447 3.452 20 30 DGEDHM COc1cccc([O-])c1/C=N/[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000728225970 576170524 /nfs/dbraw/zinc/17/05/24/576170524.db2.gz BXJNIBOPMGVSGD-ZICWZVMQSA-N -1 3 324.380 3.100 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc([O-])c(F)c2)o1 ZINC000728429814 576181418 /nfs/dbraw/zinc/18/14/18/576181418.db2.gz QUCCZIPCMOBCGN-UHFFFAOYSA-N -1 3 316.336 3.426 20 30 DGEDHM C#C[C@@H](/N=C\c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000852998281 620658453 /nfs/dbraw/zinc/65/84/53/620658453.db2.gz JYARNMMEAQTSKF-AYCSXLNKSA-N -1 3 322.202 3.002 20 30 DGEDHM CCCC1N=NC(=S)N1N=Cc1cc(Cl)c(C)cc1[O-] ZINC000853346543 620688314 /nfs/dbraw/zinc/68/83/14/620688314.db2.gz FBFAJXWWFKJDPP-UHFFFAOYSA-N -1 3 310.810 3.069 20 30 DGEDHM COc1cc(C(=O)/C=C2/COc3ccc(F)cc32)ccc1[O-] ZINC000918157031 620699839 /nfs/dbraw/zinc/69/98/39/620699839.db2.gz ZZNUXSIXXRDTSH-WDZFZDKYSA-N -1 3 300.285 3.199 20 30 DGEDHM C=CC[C@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000853537424 620707969 /nfs/dbraw/zinc/70/79/69/620707969.db2.gz XRVFLTWQLNIYDV-ZDUSSCGKSA-N -1 3 315.446 3.248 20 30 DGEDHM N#CCOc1ccc(CC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000111577677 620736287 /nfs/dbraw/zinc/73/62/87/620736287.db2.gz JEQJSFJNHXXQQM-UHFFFAOYSA-N -1 3 316.744 3.129 20 30 DGEDHM COc1cc(C=NNc2cc(F)cc(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000920374958 620797912 /nfs/dbraw/zinc/79/79/12/620797912.db2.gz NYLVUSKKOJCJJV-UHFFFAOYSA-N -1 3 323.255 3.033 20 30 DGEDHM CCc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000920382961 620798290 /nfs/dbraw/zinc/79/82/90/620798290.db2.gz DMPNLDHFSMGIQK-UHFFFAOYSA-N -1 3 322.455 3.154 20 30 DGEDHM C=C[C@H](CC)CC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000909526496 618809545 /nfs/dbraw/zinc/80/95/45/618809545.db2.gz YLUXEDCTRWZGEO-LLVKDONJSA-N -1 3 302.330 3.088 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC[C@@H]2CCc3ccccc32)c1[O-] ZINC000840706437 618974674 /nfs/dbraw/zinc/97/46/74/618974674.db2.gz IERKSAYENVHGQQ-BBJIBYMTSA-N -1 3 310.397 3.127 20 30 DGEDHM Cn1ccnc1[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])CCO1 ZINC000840711051 619012086 /nfs/dbraw/zinc/01/20/86/619012086.db2.gz UNTFMYTWBAYTQJ-GAGNQOMSSA-N -1 3 319.792 3.118 20 30 DGEDHM C=CCCC(C)(C)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000899368094 619332377 /nfs/dbraw/zinc/33/23/77/619332377.db2.gz DNWPDKMLFQJGJL-UHFFFAOYSA-N -1 3 320.339 3.281 20 30 DGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccnn1C1CCC1 ZINC000899397467 619335618 /nfs/dbraw/zinc/33/56/18/619335618.db2.gz QEJQQQNVCHUZAF-XQRVVYSFSA-N -1 3 304.296 3.488 20 30 DGEDHM CC(C)(C)c1c[n-]c(S(=O)(=O)CCCCC2(C#N)CCC2)n1 ZINC000899506088 619348890 /nfs/dbraw/zinc/34/88/90/619348890.db2.gz SAMZIONNWGMWCX-UHFFFAOYSA-N -1 3 323.462 3.345 20 30 DGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(C)c1Br ZINC000900037803 619394484 /nfs/dbraw/zinc/39/44/84/619394484.db2.gz LVUJIRICUSWXQK-LBPRGKRZSA-N -1 3 312.207 3.267 20 30 DGEDHM O=C(c1cn2c(n1)CCCC2)N([O-])Cc1cccc2ccccc21 ZINC000900091668 619404321 /nfs/dbraw/zinc/40/43/21/619404321.db2.gz HDABLDUOFRFUHA-UHFFFAOYSA-N -1 3 321.380 3.404 20 30 DGEDHM CCCCCCCC[C@@H](N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000900462693 619430273 /nfs/dbraw/zinc/43/02/73/619430273.db2.gz KIHAUMDKEBBAMB-OAHLLOKOSA-N -1 3 306.406 3.401 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc(F)c([O-])c2)o1 ZINC000901178997 619476517 /nfs/dbraw/zinc/47/65/17/619476517.db2.gz AAZPDFWUEXYYGT-UHFFFAOYSA-N -1 3 316.336 3.426 20 30 DGEDHM Cc1ncc(C(=O)N([O-])Cc2cccc3ccccc32)c(C)n1 ZINC000901370189 619490600 /nfs/dbraw/zinc/49/06/00/619490600.db2.gz UOOSJFCEOWEJMN-UHFFFAOYSA-N -1 3 307.353 3.278 20 30 DGEDHM CCc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000901372172 619490990 /nfs/dbraw/zinc/49/09/90/619490990.db2.gz TWGKBKKKWPZPIM-UHFFFAOYSA-N -1 3 318.304 3.328 20 30 DGEDHM O=C(CNc1ccccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC000901373944 619491528 /nfs/dbraw/zinc/49/15/28/619491528.db2.gz AEZYSWCDWBTMRM-UHFFFAOYSA-N -1 3 308.740 3.309 20 30 DGEDHM O=C(c1cncn1-c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000901376701 619492452 /nfs/dbraw/zinc/49/24/52/619492452.db2.gz XERIDDJQEDPNSN-UHFFFAOYSA-N -1 3 311.316 3.043 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2c3c(nn2C)CCSC3)ccc1[O-] ZINC000901469047 619506285 /nfs/dbraw/zinc/50/62/85/619506285.db2.gz GWCYSEMSDRZBPF-XQRVVYSFSA-N -1 3 314.410 3.120 20 30 DGEDHM C#CCCCCCCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000901552055 619518830 /nfs/dbraw/zinc/51/88/30/619518830.db2.gz QCEOCHLBDSVCRO-UHFFFAOYSA-N -1 3 315.413 3.335 20 30 DGEDHM Cn1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C2CCCC2)n1 ZINC000904178754 619888087 /nfs/dbraw/zinc/88/80/87/619888087.db2.gz SSCVBTURSHIQGO-UHFFFAOYSA-N -1 3 317.364 3.248 20 30 DGEDHM O=C([C@H]1C[C@]12CCOC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181830 619889036 /nfs/dbraw/zinc/88/90/36/619889036.db2.gz YQCOJEHHCORSFR-OCCSQVGLSA-N -1 3 316.184 3.138 20 30 DGEDHM Cc1nc(CC(C)C)oc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173708 619891801 /nfs/dbraw/zinc/89/18/01/619891801.db2.gz PILAWOIPDQNEMH-UHFFFAOYSA-N -1 3 306.337 3.352 20 30 DGEDHM O=C(c1cc2n(n1)CCCC2)N([O-])Cc1cccc2ccccc21 ZINC000904172521 619892040 /nfs/dbraw/zinc/89/20/40/619892040.db2.gz DMDSGGWWNBPFIH-UHFFFAOYSA-N -1 3 321.380 3.404 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1[C@@H](C)C1CC1 ZINC000904174159 619892514 /nfs/dbraw/zinc/89/25/14/619892514.db2.gz VEEQHZJSYRSBJS-LBPRGKRZSA-N -1 3 317.364 3.333 20 30 DGEDHM CC(=O)[C@@H]1C[C@H](CC(=O)N([O-])Cc2ccc(F)cc2)C1(C)C ZINC000904174328 619892517 /nfs/dbraw/zinc/89/25/17/619892517.db2.gz ZFXSWSSSDDMRFI-HIFRSBDPSA-N -1 3 307.365 3.185 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000904207196 619893370 /nfs/dbraw/zinc/89/33/70/619893370.db2.gz USRYEIMFBJHRFA-NSHDSACASA-N -1 3 307.316 3.175 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC000904207135 619893675 /nfs/dbraw/zinc/89/36/75/619893675.db2.gz RMZIUVXKGPFODQ-GJZGRUSLSA-N -1 3 305.374 3.089 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000904207129 619893720 /nfs/dbraw/zinc/89/37/20/619893720.db2.gz RLPVAPHJPNDIKZ-NSHDSACASA-N -1 3 307.316 3.175 20 30 DGEDHM Cn1nc(C(C)(C)C)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904188726 619894516 /nfs/dbraw/zinc/89/45/16/619894516.db2.gz LMIXKCIFCRYMAM-UHFFFAOYSA-N -1 3 321.808 3.403 20 30 DGEDHM O=C(C[C@@H]1CSCCS1)N([O-])Cc1ccccc1Cl ZINC000904189852 619894697 /nfs/dbraw/zinc/89/46/97/619894697.db2.gz BYXNQXZSETZYRD-LLVKDONJSA-N -1 3 317.863 3.297 20 30 DGEDHM Cc1cc(C2(C(=O)N([O-])Cc3ccccc3Cl)CC2)on1 ZINC000904192491 619895536 /nfs/dbraw/zinc/89/55/36/619895536.db2.gz NVPPLELFGZYOPR-UHFFFAOYSA-N -1 3 306.749 3.086 20 30 DGEDHM O=C([C@H]1CCN1C1CCCC1)N([O-])Cc1ccccc1Cl ZINC000904192539 619895624 /nfs/dbraw/zinc/89/56/24/619895624.db2.gz PICAAZRVIJNGSK-OAHLLOKOSA-N -1 3 308.809 3.075 20 30 DGEDHM COCc1ncsc1C(=O)N([O-])CCCCc1ccccc1 ZINC000904197727 619896731 /nfs/dbraw/zinc/89/67/31/619896731.db2.gz MWVHSSRTWVBLLL-UHFFFAOYSA-N -1 3 320.414 3.144 20 30 DGEDHM CCOC1CC2(C[C@H]2C(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904196274 619896738 /nfs/dbraw/zinc/89/67/38/619896738.db2.gz SCSCAASDZMFEEP-HFCFLWKCSA-N -1 3 317.429 3.432 20 30 DGEDHM CCCCCCN([O-])C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000904204198 619898051 /nfs/dbraw/zinc/89/80/51/619898051.db2.gz HEPBUAASMCPTAX-UHFFFAOYSA-N -1 3 318.417 3.302 20 30 DGEDHM CCCCN([O-])C(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000904212746 619901080 /nfs/dbraw/zinc/90/10/80/619901080.db2.gz UDBRQCSJLMEREN-ZDUSSCGKSA-N -1 3 314.426 3.042 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000904214787 619901602 /nfs/dbraw/zinc/90/16/02/619901602.db2.gz NAWWKERMYHZYOY-CYBMUJFWSA-N -1 3 314.426 3.042 20 30 DGEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(CC)c1[O-] ZINC000908651363 620215480 /nfs/dbraw/zinc/21/54/80/620215480.db2.gz CRGKHGAANLFEEC-HNNXBMFYSA-N -1 3 301.386 3.095 20 30 DGEDHM Cc1cc(C/N=C\c2c([O-])c(C)ncc2CO)ccc1Cl ZINC000753994205 620529843 /nfs/dbraw/zinc/52/98/43/620529843.db2.gz IPVOJYUWOMMABU-LSCVHKIXSA-N -1 3 304.777 3.169 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cc(F)ccc2F)c1[O-] ZINC000915112860 620568508 /nfs/dbraw/zinc/56/85/08/620568508.db2.gz IUXWXYIXOBUSEF-SBZQOHANSA-N -1 3 306.312 3.046 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCOCC1CCC1 ZINC000764886466 620582589 /nfs/dbraw/zinc/58/25/89/620582589.db2.gz AHHJJXIVSFYXJP-CXUHLZMHSA-N -1 3 312.207 3.390 20 30 DGEDHM COC(=O)COc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000915979152 620610628 /nfs/dbraw/zinc/61/06/28/620610628.db2.gz MGKOMKNUWCABNA-UHFFFAOYSA-N -1 3 319.744 3.348 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(F)c1 ZINC000153874553 620619825 /nfs/dbraw/zinc/61/98/25/620619825.db2.gz VWQWKYACFAWEAK-UHFFFAOYSA-N -1 3 321.214 3.136 20 30 DGEDHM CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1cc(F)ccc1[O-] ZINC000916277984 620624120 /nfs/dbraw/zinc/62/41/20/620624120.db2.gz YGMHQDNPPQBREJ-QMTHXVAHSA-N -1 3 323.437 3.298 20 30 DGEDHM Oc1ccc2ccccc2c1C=Nc1cccc(-c2nn[n-]n2)c1 ZINC000920944589 620828433 /nfs/dbraw/zinc/82/84/33/620828433.db2.gz PMGILLVTKLEEBV-UHFFFAOYSA-N -1 3 315.336 3.476 20 30 DGEDHM CCCCCCCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000754843516 621536563 /nfs/dbraw/zinc/53/65/63/621536563.db2.gz XTNYMONFXIXANF-UHFFFAOYSA-N -1 3 301.390 3.426 20 30 DGEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1cc2ccc(C)cc2o1 ZINC000754943898 621542383 /nfs/dbraw/zinc/54/23/83/621542383.db2.gz UJPJFSFLPZPVFR-UHFFFAOYSA-N -1 3 306.329 3.244 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1cn(-c2ccccc2)nn1 ZINC000755032517 621548036 /nfs/dbraw/zinc/54/80/36/621548036.db2.gz VCYVPQBUGLGTLE-NVMNQCDNSA-N -1 3 312.760 3.245 20 30 DGEDHM N#CCN(Cc1c([O-])cccc1Br)C1CCCC1 ZINC000862246767 621567530 /nfs/dbraw/zinc/56/75/30/621567530.db2.gz CIVKXSHGRUNMSQ-UHFFFAOYSA-N -1 3 309.207 3.423 20 30 DGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1C#N ZINC000756391736 621634856 /nfs/dbraw/zinc/63/48/56/621634856.db2.gz ZIFZYRWYZVWAIB-SFHVURJKSA-N -1 3 324.380 3.099 20 30 DGEDHM CC(=NNCC(F)(F)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000863180594 621645415 /nfs/dbraw/zinc/64/54/15/621645415.db2.gz DMNORYSBMDAHST-UHFFFAOYSA-N -1 3 300.202 3.043 20 30 DGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cccc(F)c1OC(F)(F)F ZINC000864512859 621776239 /nfs/dbraw/zinc/77/62/39/621776239.db2.gz PKTOLBGRQUGEEO-JTQLQIEISA-N -1 3 321.270 3.233 20 30 DGEDHM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cccc(C#N)c1 ZINC000864527794 621779629 /nfs/dbraw/zinc/77/96/29/621779629.db2.gz IPPRZLVNCNQCRI-SFHVURJKSA-N -1 3 308.381 3.426 20 30 DGEDHM N#Cc1cc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)co1 ZINC000865168187 621869330 /nfs/dbraw/zinc/86/93/30/621869330.db2.gz RIJQIIQGINLXEI-UHFFFAOYSA-N -1 3 316.386 3.378 20 30 DGEDHM N#CC(=C([O-])c1ccc(SC(F)F)cc1)c1ccncn1 ZINC000760360476 621935406 /nfs/dbraw/zinc/93/54/06/621935406.db2.gz ZJHYHMUXZQXTJY-LLVKDONJSA-N -1 3 305.309 3.281 20 30 DGEDHM COc1ccc(C=NNC2CCCC2)c(Br)c1[O-] ZINC000761012749 621979401 /nfs/dbraw/zinc/97/94/01/621979401.db2.gz OVOBLWLWDABTRU-UHFFFAOYSA-N -1 3 313.195 3.029 20 30 DGEDHM C#CCOc1cccc(-c2noc(-c3cc(OC)ccc3[O-])n2)c1 ZINC000761785816 622029569 /nfs/dbraw/zinc/02/95/69/622029569.db2.gz SUEYOYDFRNIWKY-UHFFFAOYSA-N -1 3 322.320 3.130 20 30 DGEDHM COc1ccc(N=NCc2ccc([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC000767797846 622422364 /nfs/dbraw/zinc/42/23/64/622422364.db2.gz RPCXDNHPOYPOFB-UHFFFAOYSA-N -1 3 321.720 3.408 20 30 DGEDHM COc1ccc(N=Cc2ccc(O)c([O-])c2O)c2ncccc12 ZINC000769718500 622553130 /nfs/dbraw/zinc/55/31/30/622553130.db2.gz PEAKSKDKFZRVPZ-UHFFFAOYSA-N -1 3 310.309 3.111 20 30 DGEDHM CC(N=Nc1nnc(-c2ccccc2)n1C)c1sccc1[O-] ZINC000769779453 622559308 /nfs/dbraw/zinc/55/93/08/622559308.db2.gz DEAZSUZIXAIBON-UHFFFAOYSA-N -1 3 313.386 3.085 20 30 DGEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc([O-])cc1F ZINC000769823438 622565229 /nfs/dbraw/zinc/56/52/29/622565229.db2.gz ZYJHEDDGXOVMNN-UHFFFAOYSA-N -1 3 307.256 3.415 20 30 DGEDHM Cc1ccc(C(=O)Nc2ccc(F)cc2OCC#N)c([O-])c1C ZINC000769994027 622586730 /nfs/dbraw/zinc/58/67/30/622586730.db2.gz RBEZZNCZSPIXOO-UHFFFAOYSA-N -1 3 314.316 3.303 20 30 DGEDHM C=CCCCCCN1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166032 622845553 /nfs/dbraw/zinc/84/55/53/622845553.db2.gz AUVVKKHVGCRBPE-UHFFFAOYSA-N -1 3 303.402 3.498 20 30 DGEDHM CCOc1cc(C=NN[C@H](C)CC)cc(Br)c1[O-] ZINC000790187428 625614087 /nfs/dbraw/zinc/61/40/87/625614087.db2.gz AYTSGDGNRYOAEE-SECBINFHSA-N -1 3 315.211 3.275 20 30 DGEDHM COC(=O)N1CCC[C@H]([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000773909018 623087407 /nfs/dbraw/zinc/08/74/07/623087407.db2.gz YTBQNHMSWPGFCA-NQJKUUNDSA-N -1 3 324.808 3.331 20 30 DGEDHM N#Cc1cccc(OCCOC(=O)c2cccc(Cl)c2[O-])c1 ZINC000775934410 623354090 /nfs/dbraw/zinc/35/40/90/623354090.db2.gz XTMCBXNEVXUUPC-UHFFFAOYSA-N -1 3 317.728 3.153 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ncc(-c3ccccc3)o2)c1 ZINC000776278661 623406038 /nfs/dbraw/zinc/40/60/38/623406038.db2.gz DAMGVFCAQQBSKX-UHFFFAOYSA-N -1 3 320.304 3.276 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccnn2-c2ccccc2)ccc1[O-] ZINC000790602047 625675955 /nfs/dbraw/zinc/67/59/55/625675955.db2.gz QYWZPMUPSNFHFR-CSKARUKUSA-N -1 3 320.348 3.483 20 30 DGEDHM COc1cc(C=NNc2ccc3n[nH]cc3c2)cc(Cl)c1[O-] ZINC000779812207 623812453 /nfs/dbraw/zinc/81/24/53/623812453.db2.gz OWOLPZRVRSMOJP-UHFFFAOYSA-N -1 3 316.748 3.377 20 30 DGEDHM COc1cc(C=NN2Cc3ccccc3C2=O)cc(Cl)c1[O-] ZINC000781595066 624100225 /nfs/dbraw/zinc/10/02/25/624100225.db2.gz LLXHPZIFLHKPPQ-UHFFFAOYSA-N -1 3 316.744 3.044 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2c(Br)cnn2C)ccc1[O-] ZINC000782326243 624239525 /nfs/dbraw/zinc/23/95/25/624239525.db2.gz NTBDEKRVGHRPHY-XQRVVYSFSA-N -1 3 321.174 3.093 20 30 DGEDHM CC(=NN[C@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000788469065 625188114 /nfs/dbraw/zinc/18/81/14/625188114.db2.gz MYLKNVZOOJGRDM-OAHLLOKOSA-N -1 3 304.777 3.093 20 30 DGEDHM N#Cc1sc(NCc2cc(=O)[n-]c(C3CCC3)n2)nc1Cl ZINC000882686502 625785778 /nfs/dbraw/zinc/78/57/78/625785778.db2.gz YJDCAKWNIGGHHJ-UHFFFAOYSA-N -1 3 321.793 3.043 20 30 DGEDHM CCOC(=O)C(C)(C)C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797570929 626153802 /nfs/dbraw/zinc/15/38/02/626153802.db2.gz LZODSUOTGSQNFI-SNVBAGLBSA-N -1 3 322.430 3.206 20 30 DGEDHM CC(CC(C)(C)c1c[nH]c2ccccc21)=NN=c1cc[n-]n1C ZINC000799484629 626304317 /nfs/dbraw/zinc/30/43/17/626304317.db2.gz HDFIVORNWNMBSG-UHFFFAOYSA-N -1 3 309.417 3.479 20 30 DGEDHM CCCCCCCS(=O)(=O)[N-]c1cnc(C)nc1C1CC1 ZINC000799647951 626317058 /nfs/dbraw/zinc/31/70/58/626317058.db2.gz OAFNMQIJCBLMND-UHFFFAOYSA-N -1 3 311.451 3.375 20 30 DGEDHM O=C([N-]CC(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801654335 626413308 /nfs/dbraw/zinc/41/33/08/626413308.db2.gz PJNMTEIBEZKIAN-QMMMGPOBSA-N -1 3 303.177 3.395 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCN(c2ccccn2)C1 ZINC000133114895 626766592 /nfs/dbraw/zinc/76/65/92/626766592.db2.gz KIEFDPJKOSYMCU-FVOVHSBVSA-N -1 3 301.777 3.138 20 30 DGEDHM CC(N=Nc1nccnc1C1CCC1)c1c([O-])cccc1F ZINC000884469091 626884358 /nfs/dbraw/zinc/88/43/58/626884358.db2.gz WNWAWAXJEZNHEV-UHFFFAOYSA-N -1 3 300.337 3.425 20 30 DGEDHM C[C@H]1C(N=Nc2cccc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000811629204 627296459 /nfs/dbraw/zinc/29/64/59/627296459.db2.gz MCGOPOZNWSNXHD-AWEZNQCLSA-N -1 3 323.396 3.447 20 30 DGEDHM COc1ccc(C/N=C/c2cc(Cl)ccc2[O-])c(OC)n1 ZINC000811625030 627296813 /nfs/dbraw/zinc/29/68/13/627296813.db2.gz AURLMSKADIWDTE-RQZCQDPDSA-N -1 3 306.749 3.077 20 30 DGEDHM Cc1cc(CC/N=C/c2c([O-])c(C)ncc2CO)ccc1Cl ZINC000812444301 627386963 /nfs/dbraw/zinc/38/69/63/627386963.db2.gz CEOADIGCWKESEJ-DJKKODMXSA-N -1 3 318.804 3.211 20 30 DGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ccc(F)cc1 ZINC000812748728 627415716 /nfs/dbraw/zinc/41/57/16/627415716.db2.gz TWUMFPJZBHBBMV-MRXNPFEDSA-N -1 3 317.310 3.494 20 30 DGEDHM C#CCOc1ccccc1CNCc1cccc([O-])c1Cl ZINC000815126963 627632608 /nfs/dbraw/zinc/63/26/08/627632608.db2.gz UCZKVWNKCAQLMF-UHFFFAOYSA-N -1 3 301.773 3.347 20 30 DGEDHM CC[C@H](NCc1cn2cc(C)ccc2n1)c1cccc(C#N)c1[O-] ZINC000924951623 627696652 /nfs/dbraw/zinc/69/66/52/627696652.db2.gz SUWMGIWNJVOCEP-KRWDZBQOSA-N -1 3 320.396 3.461 20 30 DGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCC1 ZINC000819772718 628188665 /nfs/dbraw/zinc/18/86/65/628188665.db2.gz JXRHONQHKAQZHI-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCC1 ZINC000819772718 628188674 /nfs/dbraw/zinc/18/86/74/628188674.db2.gz JXRHONQHKAQZHI-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC(C)(C#N)c1ccccc1COc1cccc(-c2nnn[n-]2)c1 ZINC000819892053 628196957 /nfs/dbraw/zinc/19/69/57/628196957.db2.gz RSEOUMUATFDUAP-UHFFFAOYSA-N -1 3 319.368 3.247 20 30 DGEDHM CC(C)(C#N)c1ccccc1COc1cccc(-c2nn[n-]n2)c1 ZINC000819892053 628196958 /nfs/dbraw/zinc/19/69/58/628196958.db2.gz RSEOUMUATFDUAP-UHFFFAOYSA-N -1 3 319.368 3.247 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000821476071 628373982 /nfs/dbraw/zinc/37/39/82/628373982.db2.gz GDNRDBFLRBLIBF-UTCJRWHESA-N -1 3 316.411 3.448 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822204634 628428943 /nfs/dbraw/zinc/42/89/43/628428943.db2.gz VMCLAQJFLCHKPE-HWKANZROSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822204634 628428946 /nfs/dbraw/zinc/42/89/46/628428946.db2.gz VMCLAQJFLCHKPE-HWKANZROSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822345153 628443125 /nfs/dbraw/zinc/44/31/25/628443125.db2.gz GKXABQXBBXVMLA-CMDGGOBGSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822345153 628443126 /nfs/dbraw/zinc/44/31/26/628443126.db2.gz GKXABQXBBXVMLA-CMDGGOBGSA-N -1 3 308.316 3.210 20 30 DGEDHM Clc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822578712 628466389 /nfs/dbraw/zinc/46/63/89/628466389.db2.gz OITJDMIQLNYALE-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Fc1cc(NN=Cc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822754297 628489412 /nfs/dbraw/zinc/48/94/12/628489412.db2.gz YLTQLVKNONZOHO-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cc(NN=Cc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822754297 628489415 /nfs/dbraw/zinc/48/94/15/628489415.db2.gz YLTQLVKNONZOHO-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#C[C@H](Cc1ccccc1)Sc1cccc(-c2nnn[n-]2)c1 ZINC000822800855 628497037 /nfs/dbraw/zinc/49/70/37/628497037.db2.gz AFBCMFAXYPGPHB-HNNXBMFYSA-N -1 3 307.382 3.094 20 30 DGEDHM N#C[C@H](Cc1ccccc1)Sc1cccc(-c2nn[n-]n2)c1 ZINC000822800855 628497040 /nfs/dbraw/zinc/49/70/40/628497040.db2.gz AFBCMFAXYPGPHB-HNNXBMFYSA-N -1 3 307.382 3.094 20 30 DGEDHM N#Cc1ccc(F)cc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000822830177 628499910 /nfs/dbraw/zinc/49/99/10/628499910.db2.gz WKUSTVFTJQFFGE-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(F)cc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000822830177 628499911 /nfs/dbraw/zinc/49/99/11/628499911.db2.gz WKUSTVFTJQFFGE-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C1C(=Cc2cccs2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504687 628570280 /nfs/dbraw/zinc/57/02/80/628570280.db2.gz SVNMBLQRKLVXKK-LUAWRHEFSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1C(=Cc2cccs2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504687 628570283 /nfs/dbraw/zinc/57/02/83/628570283.db2.gz SVNMBLQRKLVXKK-LUAWRHEFSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504289 628570304 /nfs/dbraw/zinc/57/03/04/628570304.db2.gz OVJBYPHXNHYZHV-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504289 628570305 /nfs/dbraw/zinc/57/03/05/628570305.db2.gz OVJBYPHXNHYZHV-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM C#CCCCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823841577 628601516 /nfs/dbraw/zinc/60/15/16/628601516.db2.gz PTNXMEINVKBQLP-UHFFFAOYSA-N -1 3 304.353 3.326 20 30 DGEDHM C#CCCCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823841577 628601518 /nfs/dbraw/zinc/60/15/18/628601518.db2.gz PTNXMEINVKBQLP-UHFFFAOYSA-N -1 3 304.353 3.326 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823841320 628601616 /nfs/dbraw/zinc/60/16/16/628601616.db2.gz LAAARWMYOHLPOK-UHFFFAOYSA-N -1 3 317.780 3.042 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823841320 628601618 /nfs/dbraw/zinc/60/16/18/628601618.db2.gz LAAARWMYOHLPOK-UHFFFAOYSA-N -1 3 317.780 3.042 20 30 DGEDHM C#CCCCOc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823840988 628601934 /nfs/dbraw/zinc/60/19/34/628601934.db2.gz HKAHVGRSRCOYEG-UHFFFAOYSA-N -1 3 320.352 3.451 20 30 DGEDHM C#CCCCOc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823840988 628601936 /nfs/dbraw/zinc/60/19/36/628601936.db2.gz HKAHVGRSRCOYEG-UHFFFAOYSA-N -1 3 320.352 3.451 20 30 DGEDHM C[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@H](C)C1 ZINC000824859562 628701289 /nfs/dbraw/zinc/70/12/89/628701289.db2.gz QLSOZBIWJJBJFY-RKDXNWHRSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@H](C)C1 ZINC000824859562 628701290 /nfs/dbraw/zinc/70/12/90/628701290.db2.gz QLSOZBIWJJBJFY-RKDXNWHRSA-N -1 3 319.800 3.139 20 30 DGEDHM CCCCCCCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825272305 628745482 /nfs/dbraw/zinc/74/54/82/628745482.db2.gz ZVKRHVFJARLVAZ-UHFFFAOYSA-N -1 3 307.789 3.283 20 30 DGEDHM CCCCCCCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825272305 628745484 /nfs/dbraw/zinc/74/54/84/628745484.db2.gz ZVKRHVFJARLVAZ-UHFFFAOYSA-N -1 3 307.789 3.283 20 30 DGEDHM COc1cc(C)ccc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826178110 628831117 /nfs/dbraw/zinc/83/11/17/628831117.db2.gz KDHJOIDQAYLBIL-CSKARUKUSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C)ccc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826178110 628831119 /nfs/dbraw/zinc/83/11/19/628831119.db2.gz KDHJOIDQAYLBIL-CSKARUKUSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(CSc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826208175 628832594 /nfs/dbraw/zinc/83/25/94/628832594.db2.gz WYORCEKEUTUPHS-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(CSc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826208175 628832595 /nfs/dbraw/zinc/83/25/95/628832595.db2.gz WYORCEKEUTUPHS-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826306551 628843673 /nfs/dbraw/zinc/84/36/73/628843673.db2.gz CRCFNCJWKYJZKT-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM Cc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826306551 628843675 /nfs/dbraw/zinc/84/36/75/628843675.db2.gz CRCFNCJWKYJZKT-UHFFFAOYSA-N -1 3 312.764 3.275 20 30 DGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCC2CCCCCC2)n1 ZINC000826350042 628846079 /nfs/dbraw/zinc/84/60/79/628846079.db2.gz FXEIJKJMYMBUTM-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCC2CCCCCC2)n1 ZINC000826350042 628846083 /nfs/dbraw/zinc/84/60/83/628846083.db2.gz FXEIJKJMYMBUTM-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM Fc1cc(NN=Cc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000826372638 628848586 /nfs/dbraw/zinc/84/85/86/628848586.db2.gz GHKPETOHAYZZLW-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cc(NN=Cc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000826372638 628848591 /nfs/dbraw/zinc/84/85/91/628848591.db2.gz GHKPETOHAYZZLW-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#CCC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000826381418 628850030 /nfs/dbraw/zinc/85/00/30/628850030.db2.gz LAJCZWMUDAEHKV-CQSZACIVSA-N -1 3 322.347 3.463 20 30 DGEDHM N#CCC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000826381418 628850032 /nfs/dbraw/zinc/85/00/32/628850032.db2.gz LAJCZWMUDAEHKV-CQSZACIVSA-N -1 3 322.347 3.463 20 30 DGEDHM N#CCC[C@@H](C#N)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826381309 628850689 /nfs/dbraw/zinc/85/06/89/628850689.db2.gz GTFIKDHNJFTLBK-VIFPVBQESA-N -1 3 318.793 3.056 20 30 DGEDHM N#CCC[C@@H](C#N)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826381309 628850690 /nfs/dbraw/zinc/85/06/90/628850690.db2.gz GTFIKDHNJFTLBK-VIFPVBQESA-N -1 3 318.793 3.056 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1 ZINC000826402605 628851094 /nfs/dbraw/zinc/85/10/94/628851094.db2.gz YAAKVRIAPAHVSG-HJWRWDBZSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826402605 628851098 /nfs/dbraw/zinc/85/10/98/628851098.db2.gz YAAKVRIAPAHVSG-HJWRWDBZSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399958 628851812 /nfs/dbraw/zinc/85/18/12/628851812.db2.gz LIMDFUVHCGFBQK-KBXRYBNXSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=CC=Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399958 628851817 /nfs/dbraw/zinc/85/18/17/628851817.db2.gz LIMDFUVHCGFBQK-KBXRYBNXSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476873 628853034 /nfs/dbraw/zinc/85/30/34/628853034.db2.gz QTHMMBZRXHUCMH-KPKJPENVSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2ccc(Cl)cc2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476873 628853036 /nfs/dbraw/zinc/85/30/36/628853036.db2.gz QTHMMBZRXHUCMH-KPKJPENVSA-N -1 3 322.755 3.343 20 30 DGEDHM C#CC[C@H]1CCCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1 ZINC000826578980 628861303 /nfs/dbraw/zinc/86/13/03/628861303.db2.gz PCSUUPRXXUHBFI-AWEZNQCLSA-N -1 3 322.412 3.046 20 30 DGEDHM C#CC[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000829793429 629193496 /nfs/dbraw/zinc/19/34/96/629193496.db2.gz DRXJAYJKPUFJDS-ZDUSSCGKSA-N -1 3 321.380 3.317 20 30 DGEDHM COc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832532569 629494563 /nfs/dbraw/zinc/49/45/63/629494563.db2.gz CYAKXCQFKOZTHA-PXAZEXFGSA-N -1 3 310.353 3.043 20 30 DGEDHM C#CC[C@@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000833360065 629591635 /nfs/dbraw/zinc/59/16/35/629591635.db2.gz BMBBDOWGERRCMV-GOSISDBHSA-N -1 3 309.365 3.004 20 30 DGEDHM C[C@@H](Oc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833541392 629618013 /nfs/dbraw/zinc/61/80/13/629618013.db2.gz QPDLBOLQGUDYHQ-UONOGXRCSA-N -1 3 324.380 3.261 20 30 DGEDHM C[C@@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000833541390 629618199 /nfs/dbraw/zinc/61/81/99/629618199.db2.gz QPDLBOLQGUDYHQ-KGLIPLIRSA-N -1 3 324.380 3.261 20 30 DGEDHM N#CC1(COC(=O)c2cccc(Br)c2[O-])CCC1 ZINC000837506365 630268729 /nfs/dbraw/zinc/26/87/29/630268729.db2.gz GEJYRPCMGOVEHQ-UHFFFAOYSA-N -1 3 310.147 3.005 20 30 DGEDHM CC(C)(C)C#CC(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000837567323 630277305 /nfs/dbraw/zinc/27/73/05/630277305.db2.gz DXQNCGZABBXIGV-UHFFFAOYSA-N -1 3 301.264 3.279 20 30 DGEDHM C=CC[C@H](C(=O)OCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000837650385 630292436 /nfs/dbraw/zinc/29/24/36/630292436.db2.gz CKHWHMHVVLVGRX-INIZCTEOSA-N -1 3 324.380 3.463 20 30 DGEDHM CCCCCCCCOCc1nc(-c2cc(=O)[n-]cn2)no1 ZINC000843028441 630605937 /nfs/dbraw/zinc/60/59/37/630605937.db2.gz JQIHJBFGAYGBQW-UHFFFAOYSA-N -1 3 306.366 3.109 20 30 DGEDHM C#CC[C@@H]1CCCN(C(=O)c2ccc(OCCCC)cc2[O-])C1 ZINC000844005084 630706291 /nfs/dbraw/zinc/70/62/91/630706291.db2.gz IIHAGLNABUGTCU-OAHLLOKOSA-N -1 3 315.413 3.447 20 30 DGEDHM Cn1c(=O)ccc2c1CCC[C@@H]2/N=C/c1cc(Cl)ccc1[O-] ZINC000844272808 630715142 /nfs/dbraw/zinc/71/51/42/630715142.db2.gz YRTVVQRRRXTNPS-FVOVHSBVSA-N -1 3 316.788 3.241 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CC1CC(F)(F)C1 ZINC000845842784 631198555 /nfs/dbraw/zinc/19/85/55/631198555.db2.gz IPKSADHZMCZIPR-AWEZNQCLSA-N -1 3 317.335 3.432 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCCc1ccccc1Br ZINC000846547313 631257852 /nfs/dbraw/zinc/25/78/52/631257852.db2.gz JWUZIURSAUORPB-LLVKDONJSA-N -1 3 312.207 3.394 20 30 DGEDHM Cc1ccoc1CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000851109731 632313118 /nfs/dbraw/zinc/31/31/18/632313118.db2.gz LYDLVRSHORZUJJ-HNNXBMFYSA-N -1 3 307.349 3.140 20 30 DGEDHM CCC(CC)[C@@H](O)C/N=C/c1cc(Br)ccc1[O-] ZINC000110129661 632469065 /nfs/dbraw/zinc/46/90/65/632469065.db2.gz MZRWIIMIJPJAOJ-BRSWLGOBSA-N -1 3 314.223 3.371 20 30 DGEDHM N#CCOc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794935291 661114783 /nfs/dbraw/zinc/11/47/83/661114783.db2.gz XMZVNKCIVQKWNB-ALCCZGGFSA-N -1 3 315.275 3.469 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2ccc(Br)cc2)c1O ZINC000255295744 655688671 /nfs/dbraw/zinc/68/86/71/655688671.db2.gz RJKWYTJYKUFDKG-UHFFFAOYSA-N -1 3 308.131 3.317 20 30 DGEDHM CCOc1cc(/C=C\C(=O)c2cnn(C)c2)cc(Cl)c1[O-] ZINC000255327767 655699512 /nfs/dbraw/zinc/69/95/12/655699512.db2.gz OLCBDYAEUUFRRX-PLNGDYQASA-N -1 3 306.749 3.074 20 30 DGEDHM COC(=O)COc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255491680 655767013 /nfs/dbraw/zinc/76/70/13/655767013.db2.gz ICLYVZFVJHIQCV-UHFFFAOYSA-N -1 3 319.744 3.348 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(Cl)ccc2F)c1 ZINC000811185958 661231238 /nfs/dbraw/zinc/23/12/38/661231238.db2.gz XYNMQHPGTNBQTM-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)O[C@H]2CCCc3ccccc3C2=O)c1 ZINC000811186625 661231268 /nfs/dbraw/zinc/23/12/68/661231268.db2.gz RUPWCJCQNQCYTD-KRWDZBQOSA-N -1 3 321.332 3.008 20 30 DGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000811188386 661231342 /nfs/dbraw/zinc/23/13/42/661231342.db2.gz ICVORRYZZMROBD-SNVBAGLBSA-N -1 3 312.281 3.090 20 30 DGEDHM CCC(CC)n1ccc(COC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000811187957 661231362 /nfs/dbraw/zinc/23/13/62/661231362.db2.gz QZZHFGIDRVDNBR-UHFFFAOYSA-N -1 3 313.357 3.178 20 30 DGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000811187581 661231365 /nfs/dbraw/zinc/23/13/65/661231365.db2.gz UJGDPCXRIAHSCQ-SNVBAGLBSA-N -1 3 312.281 3.090 20 30 DGEDHM C[C@@](O)(C/N=C/c1cc(Br)ccc1[O-])c1ccco1 ZINC000304397176 657631272 /nfs/dbraw/zinc/63/12/72/657631272.db2.gz VRQHLIVSXIUXRM-UVYNJXETSA-N -1 3 324.174 3.074 20 30 DGEDHM O=C1Nc2ccccc2C1=N[N-]c1ncc(Cl)cc1Cl ZINC000008341958 658398634 /nfs/dbraw/zinc/39/86/34/658398634.db2.gz MBHPZEQMXPGJPT-UHFFFAOYSA-N -1 3 307.140 3.157 20 30 DGEDHM CN(Cc1ccccc1)C(=O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000054893185 658899254 /nfs/dbraw/zinc/89/92/54/658899254.db2.gz WRGGBKOTOVKDLK-VXLYETTFSA-N -1 3 316.788 3.123 20 30 DGEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000929762349 661335835 /nfs/dbraw/zinc/33/58/35/661335835.db2.gz FKYRNTVQKPSSII-HNNXBMFYSA-N -1 3 324.384 3.340 20 30 DGEDHM C=C[C@H](CC)CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000934945634 661750644 /nfs/dbraw/zinc/75/06/44/661750644.db2.gz OOQRBQMADUYUDZ-SNVBAGLBSA-N -1 3 312.207 3.373 20 30 DGEDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000193045853 662121669 /nfs/dbraw/zinc/12/16/69/662121669.db2.gz NNOREUNOEMUMHT-FNORWQNLSA-N -1 3 314.253 3.105 20 30 DGEDHM C=C(CC)CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001588444120 1192447882 /nfs/dbraw/zinc/44/78/82/1192447882.db2.gz LJOWACIHMLUYNT-UHFFFAOYSA-N -1 3 301.419 3.199 20 30 DGEDHM C=C(CC)CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001588444120 1192447884 /nfs/dbraw/zinc/44/78/84/1192447884.db2.gz LJOWACIHMLUYNT-UHFFFAOYSA-N -1 3 301.419 3.199 20 30 DGEDHM C=C[C@H](CC)CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588518900 1192449272 /nfs/dbraw/zinc/44/92/72/1192449272.db2.gz NNRZMXDTKSHCKL-SNVBAGLBSA-N -1 3 319.796 3.085 20 30 DGEDHM C=C[C@H](CC)CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588518900 1192449273 /nfs/dbraw/zinc/44/92/73/1192449273.db2.gz NNRZMXDTKSHCKL-SNVBAGLBSA-N -1 3 319.796 3.085 20 30 DGEDHM C=CCCC(C)(C)CNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588577873 1192451027 /nfs/dbraw/zinc/45/10/27/1192451027.db2.gz QAIGTWOTTOSMMH-UHFFFAOYSA-N -1 3 323.404 3.214 20 30 DGEDHM C=CCCC(C)(C)CNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588577873 1192451034 /nfs/dbraw/zinc/45/10/34/1192451034.db2.gz QAIGTWOTTOSMMH-UHFFFAOYSA-N -1 3 323.404 3.214 20 30 DGEDHM C=CCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588594215 1192451888 /nfs/dbraw/zinc/45/18/88/1192451888.db2.gz PWAPXBDHBYKWRS-UHFFFAOYSA-N -1 3 313.405 3.041 20 30 DGEDHM C=CCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588594215 1192451889 /nfs/dbraw/zinc/45/18/89/1192451889.db2.gz PWAPXBDHBYKWRS-UHFFFAOYSA-N -1 3 313.405 3.041 20 30 DGEDHM CC(C)(C)[C@@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001589102285 1192459147 /nfs/dbraw/zinc/45/91/47/1192459147.db2.gz HIBFNDHBSJCMPS-CYBMUJFWSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)(C)[C@@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001589102285 1192459149 /nfs/dbraw/zinc/45/91/49/1192459149.db2.gz HIBFNDHBSJCMPS-CYBMUJFWSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001589507533 1192466628 /nfs/dbraw/zinc/46/66/28/1192466628.db2.gz NCAHUQUKAFAMEH-ZDUSSCGKSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001589507533 1192466631 /nfs/dbraw/zinc/46/66/31/1192466631.db2.gz NCAHUQUKAFAMEH-ZDUSSCGKSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001589754451 1192471873 /nfs/dbraw/zinc/47/18/73/1192471873.db2.gz VQKHILKKIOLHSU-UHFFFAOYSA-N -1 3 322.372 3.100 20 30 DGEDHM CC(Cc1ccc(F)cc1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001589896833 1192476800 /nfs/dbraw/zinc/47/68/00/1192476800.db2.gz JYKVTIHKAUQVSE-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM CC(Cc1ccc(F)cc1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001589896833 1192476802 /nfs/dbraw/zinc/47/68/02/1192476802.db2.gz JYKVTIHKAUQVSE-UHFFFAOYSA-N -1 3 310.336 3.036 20 30 DGEDHM C[C@]1(CN=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCS1 ZINC001590120584 1192489674 /nfs/dbraw/zinc/48/96/74/1192489674.db2.gz QXUKREVFHZDHEW-CYBMUJFWSA-N -1 3 322.825 3.204 20 30 DGEDHM C[C@]1(CN=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCS1 ZINC001590120584 1192489675 /nfs/dbraw/zinc/48/96/75/1192489675.db2.gz QXUKREVFHZDHEW-CYBMUJFWSA-N -1 3 322.825 3.204 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC001590161980 1192493152 /nfs/dbraw/zinc/49/31/52/1192493152.db2.gz JDLIHCPOEZSKFG-UGHKADQRSA-N -1 3 308.366 3.312 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC001590161980 1192493156 /nfs/dbraw/zinc/49/31/56/1192493156.db2.gz JDLIHCPOEZSKFG-UGHKADQRSA-N -1 3 308.366 3.312 20 30 DGEDHM CCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC001590358830 1192503055 /nfs/dbraw/zinc/50/30/55/1192503055.db2.gz HCZJEISKVKUSKL-UHFFFAOYSA-N -1 3 310.336 3.232 20 30 DGEDHM CCC(C#N)(CC)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001590367131 1192501993 /nfs/dbraw/zinc/50/19/93/1192501993.db2.gz CZHUOKVRVRRJFS-UHFFFAOYSA-N -1 3 324.388 3.013 20 30 DGEDHM CCC(C#N)(CC)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001590367131 1192501995 /nfs/dbraw/zinc/50/19/95/1192501995.db2.gz CZHUOKVRVRRJFS-UHFFFAOYSA-N -1 3 324.388 3.013 20 30 DGEDHM CCCCCCCCOC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001590592545 1192527601 /nfs/dbraw/zinc/52/76/01/1192527601.db2.gz XZHMTUAVSNBCNA-UHFFFAOYSA-N -1 3 317.393 3.087 20 30 DGEDHM CCCCCCCCOC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001590592545 1192527609 /nfs/dbraw/zinc/52/76/09/1192527609.db2.gz XZHMTUAVSNBCNA-UHFFFAOYSA-N -1 3 317.393 3.087 20 30 DGEDHM CCCCCCCCCCNc1ncncc1-c1nnn[n-]1 ZINC001590592667 1192527644 /nfs/dbraw/zinc/52/76/44/1192527644.db2.gz COIIZIKAMDJBBL-UHFFFAOYSA-N -1 3 303.414 3.209 20 30 DGEDHM Cc1cc(C=CC(=O)c2coc(C(C)C)n2)ccc1-c1nnn[n-]1 ZINC001591958222 1192583752 /nfs/dbraw/zinc/58/37/52/1192583752.db2.gz AXQLHJKZDXFXLV-FNORWQNLSA-N -1 3 323.356 3.183 20 30 DGEDHM Cc1cc(C=CC(=O)c2coc(C(C)C)n2)ccc1-c1nn[n-]n1 ZINC001591958222 1192583756 /nfs/dbraw/zinc/58/37/56/1192583756.db2.gz AXQLHJKZDXFXLV-FNORWQNLSA-N -1 3 323.356 3.183 20 30 DGEDHM Cc1cc(F)c(-c2nnn[n-]2)c(NCC(C)(C)CCC#N)c1 ZINC001591979397 1192587015 /nfs/dbraw/zinc/58/70/15/1192587015.db2.gz JKIVJDPZWMGEHA-UHFFFAOYSA-N -1 3 302.357 3.056 20 30 DGEDHM Cc1cc(F)c(-c2nn[n-]n2)c(NCC(C)(C)CCC#N)c1 ZINC001591979397 1192587017 /nfs/dbraw/zinc/58/70/17/1192587017.db2.gz JKIVJDPZWMGEHA-UHFFFAOYSA-N -1 3 302.357 3.056 20 30 DGEDHM Cc1cccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1C ZINC001592226572 1192603168 /nfs/dbraw/zinc/60/31/68/1192603168.db2.gz LNLKTXBOAPNYTR-PXNMLYILSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1C ZINC001592226572 1192603170 /nfs/dbraw/zinc/60/31/70/1192603170.db2.gz LNLKTXBOAPNYTR-PXNMLYILSA-N -1 3 316.364 3.306 20 30 DGEDHM N#CCCc1ccc(Nc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001592678290 1192625723 /nfs/dbraw/zinc/62/57/23/1192625723.db2.gz RFRQOIGGPBROKY-UHFFFAOYSA-N -1 3 308.320 3.206 20 30 DGEDHM N#CCCc1ccc(Nc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001592678290 1192625725 /nfs/dbraw/zinc/62/57/25/1192625725.db2.gz RFRQOIGGPBROKY-UHFFFAOYSA-N -1 3 308.320 3.206 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc2cnccc2c1 ZINC001592700340 1192627380 /nfs/dbraw/zinc/62/73/80/1192627380.db2.gz FKOXSZAZKIFHJO-UHFFFAOYSA-N -1 3 314.308 3.079 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc2cnccc2c1 ZINC001592700340 1192627383 /nfs/dbraw/zinc/62/73/83/1192627383.db2.gz FKOXSZAZKIFHJO-UHFFFAOYSA-N -1 3 314.308 3.079 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1SC1CCC(F)(F)CC1 ZINC001592700249 1192626118 /nfs/dbraw/zinc/62/61/18/1192626118.db2.gz AGBVACGGPUGDPI-UHFFFAOYSA-N -1 3 321.356 3.408 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1SC1CCC(F)(F)CC1 ZINC001592700249 1192626120 /nfs/dbraw/zinc/62/61/20/1192626120.db2.gz AGBVACGGPUGDPI-UHFFFAOYSA-N -1 3 321.356 3.408 20 30 DGEDHM O=C(C=Cc1sccc1Cl)c1ccccc1-c1nnn[n-]1 ZINC001592803468 1192627126 /nfs/dbraw/zinc/62/71/26/1192627126.db2.gz MKGBBDSOIVASNN-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1sccc1Cl)c1ccccc1-c1nn[n-]n1 ZINC001592803468 1192627131 /nfs/dbraw/zinc/62/71/31/1192627131.db2.gz MKGBBDSOIVASNN-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1ccc(Cl)cc1 ZINC001593376485 1192630849 /nfs/dbraw/zinc/63/08/49/1192630849.db2.gz PQJXRWSRTNIDIV-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1ccc(Cl)cc1 ZINC001593376485 1192630851 /nfs/dbraw/zinc/63/08/51/1192630851.db2.gz PQJXRWSRTNIDIV-QPEQYQDCSA-N -1 3 322.755 3.343 20 30 DGEDHM Cc1ncncc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001332031854 1178341176 /nfs/dbraw/zinc/34/11/76/1178341176.db2.gz YEUACNGFVSCBBH-UHFFFAOYSA-N -1 3 312.156 3.123 20 30 DGEDHM N#CC(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc2ccccc2n1 ZINC001601047111 1192913826 /nfs/dbraw/zinc/91/38/26/1192913826.db2.gz JFVRCTKOUDGUAL-ZNMIVQPWSA-N -1 3 322.364 3.302 20 30 DGEDHM N#CC1(c2ccccc2)CC(NCc2ccccc2CC(=O)[O-])C1 ZINC001601058906 1192915351 /nfs/dbraw/zinc/91/53/51/1192915351.db2.gz SIJWEOBIQVMBSD-UHFFFAOYSA-N -1 3 320.392 3.027 20 30 DGEDHM CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001344003937 1179362297 /nfs/dbraw/zinc/36/22/97/1179362297.db2.gz CQZMJTJPFGPLBH-LLVKDONJSA-N -1 3 300.337 3.051 20 30 DGEDHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1cccc(F)n1 ZINC001347137532 1179783151 /nfs/dbraw/zinc/78/31/51/1179783151.db2.gz OSHZLDBSGHQKJD-SGUJLRQBSA-N -1 3 301.708 3.159 20 30 DGEDHM C#Cc1cccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC001602741621 1192995812 /nfs/dbraw/zinc/99/58/12/1192995812.db2.gz REAITFODSWISSC-UHFFFAOYSA-N -1 3 323.787 3.138 20 30 DGEDHM C#Cc1cccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC001602741621 1192995814 /nfs/dbraw/zinc/99/58/14/1192995814.db2.gz REAITFODSWISSC-UHFFFAOYSA-N -1 3 323.787 3.138 20 30 DGEDHM C=C[C@@H](CC)CC(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602801410 1192998304 /nfs/dbraw/zinc/99/83/04/1192998304.db2.gz SSYOHQFEPTXRCC-JTQLQIEISA-N -1 3 319.796 3.085 20 30 DGEDHM C=C[C@@H](CC)CC(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602801410 1192998307 /nfs/dbraw/zinc/99/83/07/1192998307.db2.gz SSYOHQFEPTXRCC-JTQLQIEISA-N -1 3 319.796 3.085 20 30 DGEDHM CC(C)(CNc1c(C#N)cccc1-c1nnn[n-]1)C1=CCCC1 ZINC001603150630 1193009251 /nfs/dbraw/zinc/00/92/51/1193009251.db2.gz HWDPMSZNKSHVFY-UHFFFAOYSA-N -1 3 308.389 3.287 20 30 DGEDHM CC(C)(CNc1c(C#N)cccc1-c1nn[n-]n1)C1=CCCC1 ZINC001603150630 1193009254 /nfs/dbraw/zinc/00/92/54/1193009254.db2.gz HWDPMSZNKSHVFY-UHFFFAOYSA-N -1 3 308.389 3.287 20 30 DGEDHM C[C@@H](CN1CCC(C#N)(C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC001604165188 1193056253 /nfs/dbraw/zinc/05/62/53/1193056253.db2.gz MYQRSJDDVZININ-LBPRGKRZSA-N -1 3 306.793 3.134 20 30 DGEDHM C#CCO[N-]C(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 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DGEDHM CC(C)c1ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)c([O-])c1 ZINC001635288306 1194542538 /nfs/dbraw/zinc/54/25/38/1194542538.db2.gz JXJGFJSYKLGMNZ-LBPRGKRZSA-N -1 3 300.280 3.090 20 30 DGEDHM CCCCCC[C@](C)(CCC)C(=O)N[C@H]1CCCN([O-])C1=O ZINC001636546215 1194619767 /nfs/dbraw/zinc/61/97/67/1194619767.db2.gz LUQHKOZWJVOGPP-YOEHRIQHSA-N -1 3 312.454 3.260 20 30 DGEDHM CCCCCCN([O-])C(=O)C1(CNC(=O)OC(C)(C)C)CC1 ZINC001639067095 1194749454 /nfs/dbraw/zinc/74/94/54/1194749454.db2.gz KOMYMUVVFLXEDK-UHFFFAOYSA-N -1 3 314.426 3.089 20 30 DGEDHM O=C([C@@H]1C[C@]1(F)c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001639078497 1194749745 /nfs/dbraw/zinc/74/97/45/1194749745.db2.gz KLIAAPCIGIRPMR-RDJZCZTQSA-N -1 3 303.308 3.428 20 30 DGEDHM N#Cc1ccc(CCNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001641353712 1194849731 /nfs/dbraw/zinc/84/97/31/1194849731.db2.gz GKZJXEMJGKRMRD-UHFFFAOYSA-N -1 3 316.360 3.390 20 30 DGEDHM CCCCCCN([O-])C(=O)c1c(C)onc1-c1ccccn1 ZINC001641867861 1194875745 /nfs/dbraw/zinc/87/57/45/1194875745.db2.gz QBGXGNWJNVKFOZ-UHFFFAOYSA-N -1 3 303.362 3.457 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC001641865184 1194876231 /nfs/dbraw/zinc/87/62/31/1194876231.db2.gz WAGHPNIILYBQEA-UHFFFAOYSA-N -1 3 320.368 3.127 20 30 DGEDHM CCCCN([O-])C(=O)C1(c2ccc(OC)c(OC)c2)CCC1 ZINC001641871595 1194876837 /nfs/dbraw/zinc/87/68/37/1194876837.db2.gz YQJRJUYHWHERIA-UHFFFAOYSA-N -1 3 307.390 3.143 20 30 DGEDHM C=CCCC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)OC ZINC001644822366 1195136803 /nfs/dbraw/zinc/13/68/03/1195136803.db2.gz DGWISYRHZQTGCK-OAHLLOKOSA-N -1 3 319.401 3.143 20 30 DGEDHM CCCCCCCC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001645528653 1195191898 /nfs/dbraw/zinc/19/18/98/1195191898.db2.gz SUYDIPKGDCLMHP-SECBINFHSA-N -1 3 306.332 3.361 20 30 DGEDHM N#CC1(CCCCN2Cc3nc(C4CC4)[n-]c(=O)c3C2)CCC1 ZINC001648217842 1195284511 /nfs/dbraw/zinc/28/45/11/1195284511.db2.gz GSSRJKCRGWXZBF-UHFFFAOYSA-N -1 3 312.417 3.239 20 30 DGEDHM O=C(c1cccc2c1OCCO2)N([O-])Cc1ccccc1Cl ZINC001651223401 1195428319 /nfs/dbraw/zinc/42/83/19/1195428319.db2.gz CPWPQZFPQHPVLQ-UHFFFAOYSA-N -1 3 319.744 3.143 20 30 DGEDHM Cc1cc(C#N)cnc1C(=O)N([O-])CCCCc1ccccc1 ZINC001651225850 1195428681 /nfs/dbraw/zinc/42/86/81/1195428681.db2.gz AQPSENPXRIHHEP-UHFFFAOYSA-N -1 3 309.369 3.116 20 30 DGEDHM C=CC1(CC(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)CCCCC1 ZINC001652737058 1195643474 /nfs/dbraw/zinc/64/34/74/1195643474.db2.gz RTYJEZQHCPSGAL-UHFFFAOYSA-N -1 3 319.405 3.440 20 30 DGEDHM C=CC1(CC(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)CCCCC1 ZINC001652737058 1195643476 /nfs/dbraw/zinc/64/34/76/1195643476.db2.gz RTYJEZQHCPSGAL-UHFFFAOYSA-N -1 3 319.405 3.440 20 30 DGEDHM O=C(Cn1cc(C2CC2)cn1)N([O-])CCCCc1ccccc1 ZINC001654817482 1195843992 /nfs/dbraw/zinc/84/39/92/1195843992.db2.gz LOIZIBLXNSTOLK-UHFFFAOYSA-N -1 3 313.401 3.001 20 30 DGEDHM C#CCC1([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CCC1 ZINC001666306839 1197250703 /nfs/dbraw/zinc/25/07/03/1197250703.db2.gz AHJPPZNADRZSJF-UHFFFAOYSA-N -1 3 321.373 3.105 20 30 DGEDHM CCC(CC)(C(=O)[O-])C(=O)C(C#N)c1nc2ccccc2s1 ZINC001589466822 954909756 /nfs/dbraw/zinc/90/97/56/954909756.db2.gz KWALFXQJWZUQBK-SNVBAGLBSA-N -1 3 316.382 3.364 20 30 DGEDHM CC(C)c1[nH]c(CN[C@@H]2CCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001591916635 976369157 /nfs/dbraw/zinc/36/91/57/976369157.db2.gz PLGDCKZNOMYGNX-QGZVFWFLSA-N -1 3 323.396 3.485 20 30 DGEDHM CCN(Cc1ccc(C(=O)[O-])n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001596358005 983831282 /nfs/dbraw/zinc/83/12/82/983831282.db2.gz YLCKEKSFENWSGV-ZDUSSCGKSA-N -1 3 311.385 3.178 20 30 DGEDHM C=CCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccccc1C ZINC001588877426 984453377 /nfs/dbraw/zinc/45/33/77/984453377.db2.gz OVIHNKXDBOBDQU-GOSISDBHSA-N -1 3 311.381 3.475 20 30 DGEDHM C=CCOc1ccccc1CN[C@H](C(=O)[O-])c1ccccc1C ZINC001588877427 984453468 /nfs/dbraw/zinc/45/34/68/984453468.db2.gz OVIHNKXDBOBDQU-SFHVURJKSA-N -1 3 311.381 3.475 20 30 DGEDHM C[C@H](NCc1ccc(CC#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593297127 994701136 /nfs/dbraw/zinc/70/11/36/994701136.db2.gz RKUBVUHHUATAQX-AWEZNQCLSA-N -1 3 324.380 3.067 20 30 DGEDHM COc1ccc(C(=O)[O-])c2c1CN(CC(C)(C)CCC#N)CC2 ZINC001599501243 997125098 /nfs/dbraw/zinc/12/50/98/997125098.db2.gz KONXBAZEQVQUSQ-UHFFFAOYSA-N -1 3 316.401 3.081 20 30 DGEDHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC001594208005 998804407 /nfs/dbraw/zinc/80/44/07/998804407.db2.gz OEPPMCYFSVIAGO-CHWSQXEVSA-N -1 3 305.805 3.265 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC001639066951 1194749321 /nfs/dbraw/zinc/74/93/21/1194749321.db2.gz DXGRZJCRKSDBNI-GFCCVEGCSA-N -1 3 310.360 3.059 20 30 DGEDHM CC1(C)CC(=O)C=C(Nc2ncc(Br)cc2[O-])C1 ZINC001210150007 1081908367 /nfs/dbraw/zinc/90/83/67/1081908367.db2.gz KPPHATCKZLXNCP-UHFFFAOYSA-N -1 3 311.179 3.235 20 30 DGEDHM COC(=O)c1cc(Nc2cccc(Cl)c2[O-])ccc1C#N ZINC001210223547 1081925392 /nfs/dbraw/zinc/92/53/92/1081925392.db2.gz RXCTXNFHGXRMFT-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM Cc1cc(-n2cccn2)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000588565464 1083192569 /nfs/dbraw/zinc/19/25/69/1083192569.db2.gz ZTJOFLYMTYZUSA-UHFFFAOYSA-N -1 3 309.325 3.048 20 30 DGEDHM CC(C)(C(=O)Nc1ccc([O-])c(C#N)c1)c1c(F)cccc1F ZINC001181189202 1083425988 /nfs/dbraw/zinc/42/59/88/1083425988.db2.gz XCEMDAUCUUIQFH-UHFFFAOYSA-N -1 3 316.307 3.458 20 30 DGEDHM COc1c([O-])ccc(CNc2cc(C)cc(C#N)c2)c1[N+](=O)[O-] ZINC001182336271 1083696974 /nfs/dbraw/zinc/69/69/74/1083696974.db2.gz ZTCUINWDOMCFIG-UHFFFAOYSA-N -1 3 313.313 3.101 20 30 DGEDHM CC#CCCCCCCCC(=O)Nc1nc[n-]c1C(=O)OCC ZINC001182765580 1083797454 /nfs/dbraw/zinc/79/74/54/1083797454.db2.gz XWJXBNCXPIQRCW-UHFFFAOYSA-N -1 3 319.405 3.279 20 30 DGEDHM CC#CCCCCCCCC(=O)Nc1[n-]cnc1C(=O)OCC ZINC001182765580 1083797463 /nfs/dbraw/zinc/79/74/63/1083797463.db2.gz XWJXBNCXPIQRCW-UHFFFAOYSA-N -1 3 319.405 3.279 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001184305944 1084143064 /nfs/dbraw/zinc/14/30/64/1084143064.db2.gz XQXQMLGVNNAEKB-UHFFFAOYSA-N -1 3 314.313 3.154 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](OC)c1ccccc1C(F)(F)F ZINC001184327650 1084159968 /nfs/dbraw/zinc/15/99/68/1084159968.db2.gz XHDMPNRTHRHNDG-GFCCVEGCSA-N -1 3 305.296 3.411 20 30 DGEDHM C#Cc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001184341054 1084164514 /nfs/dbraw/zinc/16/45/14/1084164514.db2.gz UUWMTVJHWKXNEM-UHFFFAOYSA-N -1 3 302.333 3.248 20 30 DGEDHM C[C@@H]1C[C@@H]1c1ncc(C(=O)[N-]c2c(C#N)oc3ccccc32)cn1 ZINC001185113406 1084355423 /nfs/dbraw/zinc/35/54/23/1084355423.db2.gz AECARRBOFQALFJ-MFKMUULPSA-N -1 3 318.336 3.470 20 30 DGEDHM N#Cc1ccc2[n-]c(C(=O)NCCC3=CCCCC3)cc(=O)c2c1 ZINC001154558906 1088653767 /nfs/dbraw/zinc/65/37/67/1088653767.db2.gz CONWIFJWXPFCGX-UHFFFAOYSA-N -1 3 321.380 3.020 20 30 DGEDHM COc1ccc(C#N)cc1NC(=O)c1cnc2cccc([O-])c2c1 ZINC001155539784 1089151313 /nfs/dbraw/zinc/15/13/13/1089151313.db2.gz JFIGCKDGCXUKBM-UHFFFAOYSA-N -1 3 319.320 3.073 20 30 DGEDHM N#Cc1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)cs1 ZINC001127585024 1089238131 /nfs/dbraw/zinc/23/81/31/1089238131.db2.gz SZJYXNIPDKQAEK-UHFFFAOYSA-N -1 3 318.408 3.452 20 30 DGEDHM Cc1cnc2cc(C(=O)N([O-])Cc3ccccc3Cl)ccn12 ZINC001161807771 1089415338 /nfs/dbraw/zinc/41/53/38/1089415338.db2.gz NRLHZAYGLNTVDN-UHFFFAOYSA-N -1 3 315.760 3.328 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC001161826997 1089427042 /nfs/dbraw/zinc/42/70/42/1089427042.db2.gz RZPYQJIEACFTIU-UHFFFAOYSA-N -1 3 318.417 3.376 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C ZINC001161833012 1089432281 /nfs/dbraw/zinc/43/22/81/1089432281.db2.gz XFGRBAFCZFCRBW-OLZOCXBDSA-N -1 3 316.442 3.190 20 30 DGEDHM CC(C)(C)c1ccc(-c2noc(-c3cc(=O)[n-]cn3)n2)c(C#N)c1 ZINC001212360191 1090574252 /nfs/dbraw/zinc/57/42/52/1090574252.db2.gz ADXRCQGXTVQXOT-UHFFFAOYSA-N -1 3 321.340 3.068 20 30 DGEDHM COc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cc1O ZINC001649045940 1090575414 /nfs/dbraw/zinc/57/54/14/1090575414.db2.gz GJRRGNQVMFYMJT-UHFFFAOYSA-N -1 3 321.760 3.015 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccn(CCC(F)(F)F)n1 ZINC001649056505 1090581244 /nfs/dbraw/zinc/58/12/44/1090581244.db2.gz BQJXJQKKJYYNOK-UHFFFAOYSA-N -1 3 307.316 3.247 20 30 DGEDHM N#Cc1c(F)cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1F ZINC001203674397 1090777777 /nfs/dbraw/zinc/77/77/77/1090777777.db2.gz YLOHCFUMTYQDQA-UHFFFAOYSA-N -1 3 312.279 3.471 20 30 DGEDHM CN1CCc2c(C#N)c(Nc3cccc([O-])c3F)sc2C1 ZINC001212546384 1091144999 /nfs/dbraw/zinc/14/49/99/1091144999.db2.gz KACFMLOSCPNKLZ-UHFFFAOYSA-N -1 3 303.362 3.196 20 30 DGEDHM C/C(=N\[O-])c1ccc(-c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC001205309262 1091178536 /nfs/dbraw/zinc/17/85/36/1091178536.db2.gz XKKLGTWBQWELEF-LICLKQGHSA-N -1 3 307.346 3.094 20 30 DGEDHM N#Cc1nc(Cl)c([N-]c2cc(F)cc(F)c2F)nc1C#N ZINC001206395166 1091613799 /nfs/dbraw/zinc/61/37/99/1091613799.db2.gz BTMMSWOULBYRNP-UHFFFAOYSA-N -1 3 309.638 3.034 20 30 DGEDHM CC(C)(C)c1noc([N-]c2cnn(Cc3ccncc3)c2)c1C#N ZINC001203128957 1092604438 /nfs/dbraw/zinc/60/44/38/1092604438.db2.gz FLWDWUNLGHYBST-UHFFFAOYSA-N -1 3 322.372 3.227 20 30 DGEDHM Nc1ccccc1C(=Nc1cc(C(F)(F)F)ccc1[O-])NO ZINC001209983373 1093005468 /nfs/dbraw/zinc/00/54/68/1093005468.db2.gz HNLNAIWFJBUELU-UHFFFAOYSA-N -1 3 311.263 3.050 20 30 DGEDHM COc1c(F)c(F)c([N-]c2oc(C)nc2C#N)c(F)c1F ZINC001210763719 1093276409 /nfs/dbraw/zinc/27/64/09/1093276409.db2.gz HIEZMLBYNMPGIV-UHFFFAOYSA-N -1 3 301.199 3.163 20 30 DGEDHM CN1CCc2c(C#N)c(Nc3ccc(F)c([O-])c3)sc2C1 ZINC001211216046 1093424604 /nfs/dbraw/zinc/42/46/04/1093424604.db2.gz UMYGVFPBHSPYCQ-UHFFFAOYSA-N -1 3 303.362 3.196 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001211240845 1093430658 /nfs/dbraw/zinc/43/06/58/1093430658.db2.gz BAHJMQFKSVMQQH-LLVKDONJSA-N -1 3 302.827 3.067 20 30 DGEDHM CNC(=O)c1ccc([N-]c2onc(C(C)(C)C)c2C#N)c(F)c1 ZINC001214864268 1093866191 /nfs/dbraw/zinc/86/61/91/1093866191.db2.gz GTKHEGFEWXXNES-UHFFFAOYSA-N -1 3 316.336 3.086 20 30 DGEDHM CC(=O)c1cc(-c2nc(-c3ccc(C#N)c(C)c3)no2)ccc1[O-] ZINC001215364841 1093969113 /nfs/dbraw/zinc/96/91/13/1093969113.db2.gz FFXHODMZWCMRJJ-UHFFFAOYSA-N -1 3 319.320 3.492 20 30 DGEDHM CNC(=O)c1cc(C#N)cc(C)c1Nc1cc(C)c(F)c([O-])c1 ZINC001216083621 1094119685 /nfs/dbraw/zinc/11/96/85/1094119685.db2.gz QNUXWAZOHZJSHG-UHFFFAOYSA-N -1 3 313.332 3.123 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(O)cc2OC)ccc1[O-] ZINC001337123995 1094863796 /nfs/dbraw/zinc/86/37/96/1094863796.db2.gz YKSPPGIYYMDQNP-DAXSKMNVSA-N -1 3 300.310 3.011 20 30 DGEDHM N#CC(=C([O-])c1cnn(C2CCCCC2)c1)c1cccc(F)n1 ZINC001122714315 1095043064 /nfs/dbraw/zinc/04/30/64/1095043064.db2.gz JETVKMYZJKUKOP-CQSZACIVSA-N -1 3 312.348 3.412 20 30 DGEDHM C=CC[C@@H](C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144026567 1095482003 /nfs/dbraw/zinc/48/20/03/1095482003.db2.gz JRGPVCWKBBDANX-SNVBAGLBSA-N -1 3 304.777 3.422 20 30 DGEDHM C=CCN(C)c1nnc(CCc2cccc(Cl)c2[O-])n1CC ZINC001340871135 1096056231 /nfs/dbraw/zinc/05/62/31/1096056231.db2.gz XSJGQCUFTRETJF-UHFFFAOYSA-N -1 3 320.824 3.064 20 30 DGEDHM C=C(C)C[C@H](NCc1c(C)nn(CCCC)c1Cl)C(=O)[O-] ZINC001118918006 1096104775 /nfs/dbraw/zinc/10/47/75/1096104775.db2.gz FBSGGKTXIIDWKE-ZDUSSCGKSA-N -1 3 313.829 3.154 20 30 DGEDHM C[C@@H](O/C(=N\[O-])c1ccccn1)c1cccc(Br)n1 ZINC001223978129 1096108037 /nfs/dbraw/zinc/10/80/37/1096108037.db2.gz PXYKTTNEUGZHBE-FCZKIDGVSA-N -1 3 322.162 3.153 20 30 DGEDHM Cc1ncsc1C(=O)[N-]c1c(C#N)cnnc1-c1ccccc1 ZINC001147376902 1096211802 /nfs/dbraw/zinc/21/18/02/1096211802.db2.gz BSFTXYLXJPBFBS-UHFFFAOYSA-N -1 3 321.365 3.033 20 30 DGEDHM Cc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)n(-c2ccccc2)n1 ZINC001147854765 1096283223 /nfs/dbraw/zinc/28/32/23/1096283223.db2.gz MZRUSBSITCGLLZ-UHFFFAOYSA-N -1 3 318.336 3.010 20 30 DGEDHM C[C@H](C#N)c1cccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c1 ZINC001148616979 1096412738 /nfs/dbraw/zinc/41/27/38/1096412738.db2.gz CACIYSPOFAACJS-SNVBAGLBSA-N -1 3 306.325 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(C)cc(=O)c2C#N)O1 ZINC001225469222 1096439726 /nfs/dbraw/zinc/43/97/26/1096439726.db2.gz IFIBWRNUQBTJSG-YOEHRIQHSA-N -1 3 302.374 3.248 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2[n-]c(C)cc(=O)c2C#N)O1 ZINC001225469220 1096439771 /nfs/dbraw/zinc/43/97/71/1096439771.db2.gz IFIBWRNUQBTJSG-WMLDXEAASA-N -1 3 302.374 3.248 20 30 DGEDHM C=C[C@@]1(C)CC[C@H](Oc2[n-]c(C)cc(=O)c2C#N)C(C)(C)O1 ZINC001225469763 1096441738 /nfs/dbraw/zinc/44/17/38/1096441738.db2.gz NWQJHQSULJJUDT-YOEHRIQHSA-N -1 3 302.374 3.248 20 30 DGEDHM C#CC[C@@H](C)Oc1cc(C)cc([O-])c1I ZINC001225511826 1096454162 /nfs/dbraw/zinc/45/41/62/1096454162.db2.gz VLQHNFZEASPICX-SECBINFHSA-N -1 3 316.138 3.096 20 30 DGEDHM C[C@H](C#C[Si](C)(C)C)Oc1cc(C(F)(F)F)[n-]c(=S)n1 ZINC001225850211 1096545715 /nfs/dbraw/zinc/54/57/15/1096545715.db2.gz GVXLCBZFDCMMCZ-MRVPVSSYSA-N -1 3 320.412 3.432 20 30 DGEDHM N#Cc1ccc([O-])c(OC2CC(C(=O)OCc3ccccc3)C2)c1 ZINC001227344945 1096918525 /nfs/dbraw/zinc/91/85/25/1096918525.db2.gz HLBDJFBEFNPGTR-UHFFFAOYSA-N -1 3 323.348 3.165 20 30 DGEDHM CCCCOC[C@H](C)OC[C@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227349159 1096919627 /nfs/dbraw/zinc/91/96/27/1096919627.db2.gz 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ZINC001228008653 1097031057 /nfs/dbraw/zinc/03/10/57/1097031057.db2.gz PXXBKKPWAHRYKI-PXAZEXFGSA-N -1 3 315.373 3.012 20 30 DGEDHM CCC[C@@H](C#Cc1ccccc1)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700433 1097172268 /nfs/dbraw/zinc/17/22/68/1097172268.db2.gz RXVJIMNSPJCKOU-KRWDZBQOSA-N -1 3 318.380 3.466 20 30 DGEDHM C=C[C@@H](CCCCC)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229337968 1097298954 /nfs/dbraw/zinc/29/89/54/1097298954.db2.gz PQYVUQUQOUPMOU-ZDUSSCGKSA-N -1 3 302.378 3.389 20 30 DGEDHM C=C[C@@H](CCCCC)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229337968 1097298961 /nfs/dbraw/zinc/29/89/61/1097298961.db2.gz PQYVUQUQOUPMOU-ZDUSSCGKSA-N -1 3 302.378 3.389 20 30 DGEDHM COC(=O)C[C@H]1CCC[C@H](Oc2ccccc2/C(C)=N/[O-])C1 ZINC001229737427 1097374299 /nfs/dbraw/zinc/37/42/99/1097374299.db2.gz YMYHHVQGTDIZLN-WOHQBKTFSA-N -1 3 305.374 3.386 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cccc(-c3nnn[n-]3)c2)O1 ZINC001231118447 1097672946 /nfs/dbraw/zinc/67/29/46/1097672946.db2.gz OGOQBBMACOFRAY-YOEHRIQHSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2cccc(-c3nn[n-]n3)c2)O1 ZINC001231118447 1097672951 /nfs/dbraw/zinc/67/29/51/1097672951.db2.gz OGOQBBMACOFRAY-YOEHRIQHSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cccc(-c3nnn[n-]3)c2)O1 ZINC001231118446 1097673098 /nfs/dbraw/zinc/67/30/98/1097673098.db2.gz OGOQBBMACOFRAY-WMLDXEAASA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2cccc(-c3nn[n-]n3)c2)O1 ZINC001231118446 1097673101 /nfs/dbraw/zinc/67/31/01/1097673101.db2.gz OGOQBBMACOFRAY-WMLDXEAASA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@@H](Oc1ccccc1Oc1ccccc1[O-])C(=O)OC ZINC001231222736 1097697025 /nfs/dbraw/zinc/69/70/25/1097697025.db2.gz JGMYIFWHFSWMGH-CYBMUJFWSA-N -1 3 300.310 3.291 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1ccc(F)c(C#N)c1 ZINC001176616332 1098393193 /nfs/dbraw/zinc/39/31/93/1098393193.db2.gz VCOQHQQVNDPNMR-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM CCOC(=O)C(F)(F)[C@H](CC)Oc1ccc(C(C)=N[O-])cc1 ZINC001234084447 1098491975 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N#Cc1cc(NC(=O)COc2cccc3ccccc32)ccc1[O-] ZINC001180534825 1099442759 /nfs/dbraw/zinc/44/27/59/1099442759.db2.gz JFEYBSCWXJWQLQ-UHFFFAOYSA-N -1 3 318.332 3.435 20 30 DGEDHM COc1ccc(NC(=O)[N-]c2oc(C)nc2C#N)cc1Cl ZINC001188443512 1099764448 /nfs/dbraw/zinc/76/44/48/1099764448.db2.gz XSEAUXFTRWPXDT-UHFFFAOYSA-N -1 3 306.709 3.161 20 30 DGEDHM C=CCN(CC=C)Cc1c([O-])cc(OC)cc1Br ZINC001237073004 1099945800 /nfs/dbraw/zinc/94/58/00/1099945800.db2.gz MXPAHJGKEADGEI-UHFFFAOYSA-N -1 3 312.207 3.337 20 30 DGEDHM CSc1ncc(C(=O)[N-]c2c(C#N)oc3ccccc32)c(C)n1 ZINC001190506321 1100282909 /nfs/dbraw/zinc/28/29/09/1100282909.db2.gz PWNLZPKQYAICPB-UHFFFAOYSA-N -1 3 324.365 3.377 20 30 DGEDHM Cc1nc(C#N)c([N-]C(=O)c2csc(-c3cccs3)n2)o1 ZINC001190565957 1100296783 /nfs/dbraw/zinc/29/67/83/1100296783.db2.gz QJIJPLSRWRECLB-UHFFFAOYSA-N -1 3 316.367 3.292 20 30 DGEDHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190666511 1100311164 /nfs/dbraw/zinc/31/11/64/1100311164.db2.gz XULNHWPAWMAMAN-LBPRGKRZSA-N -1 3 312.410 3.192 20 30 DGEDHM C=CCC1(S(=O)(=O)[N-]c2ccc3cccc(C)c3n2)CC1 ZINC001190766096 1100334520 /nfs/dbraw/zinc/33/45/20/1100334520.db2.gz LSQLYJXAVIPGNE-UHFFFAOYSA-N -1 3 302.399 3.394 20 30 DGEDHM C=CCC1(S(=O)(=O)[N-]c2cnnc3ccc(Cl)cc23)CC1 ZINC001190773581 1100334724 /nfs/dbraw/zinc/33/47/24/1100334724.db2.gz HMPNKZNRUZVBTE-UHFFFAOYSA-N -1 3 323.805 3.134 20 30 DGEDHM CCCCCCCNC(=O)Nc1c([O-])cccc1C(=O)OC ZINC001191106721 1100400896 /nfs/dbraw/zinc/40/08/96/1100400896.db2.gz MUGHSENSRGNVLM-UHFFFAOYSA-N -1 3 308.378 3.271 20 30 DGEDHM CCCc1cc(C(=O)N([O-])C(=N)c2ccccc2N)ccc1F ZINC001191982059 1100550180 /nfs/dbraw/zinc/55/01/80/1100550180.db2.gz DUWKNLZXKOKYIU-UHFFFAOYSA-N -1 3 315.348 3.217 20 30 DGEDHM COc1cccc(-c2ccc([N-]S(=O)(=O)[C@H](C)C#N)cc2)c1 ZINC001193146309 1100712377 /nfs/dbraw/zinc/71/23/77/1100712377.db2.gz KSEAEBQPAHNROZ-GFCCVEGCSA-N -1 3 316.382 3.016 20 30 DGEDHM C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)cc(F)cc1C1CC1 ZINC001193161896 1100714330 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CC(C)(C)OC(=O)[C@@H](C#N)c1cccc(-c2ccccc2[O-])n1 ZINC001241007622 1101218860 /nfs/dbraw/zinc/21/88/60/1101218860.db2.gz FPTSJGQRBOIACX-ZDUSSCGKSA-N -1 3 310.353 3.403 20 30 DGEDHM C#C[C@@H]1CCCCN1Cc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC001198526325 1101891983 /nfs/dbraw/zinc/89/19/83/1101891983.db2.gz QHTNKXSVESIQDM-OAHLLOKOSA-N -1 3 311.381 3.049 20 30 DGEDHM CCCCCCCC[N-]S(=O)(=O)c1cnccc1Cl ZINC000160903421 1102011523 /nfs/dbraw/zinc/01/15/23/1102011523.db2.gz VJZCXGISEAUFEA-UHFFFAOYSA-N -1 3 304.843 3.374 20 30 DGEDHM COc1ccc(-c2nnn[n-]2)cc1-c1cc(Cl)cc(C#N)c1 ZINC001242570746 1102217504 /nfs/dbraw/zinc/21/75/04/1102217504.db2.gz RBVOGUUNNHVIPX-UHFFFAOYSA-N -1 3 311.732 3.067 20 30 DGEDHM COc1ccc(-c2nn[n-]n2)cc1-c1cc(Cl)cc(C#N)c1 ZINC001242570746 1102217514 /nfs/dbraw/zinc/21/75/14/1102217514.db2.gz RBVOGUUNNHVIPX-UHFFFAOYSA-N -1 3 311.732 3.067 20 30 DGEDHM Cc1cc(-c2ccc(/C=N/[O-])c(F)c2)ccc1N1CCOCC1 ZINC001242882807 1102400627 /nfs/dbraw/zinc/40/06/27/1102400627.db2.gz DYBPNYYRHKHCLM-UDWIEESQSA-N -1 3 314.360 3.446 20 30 DGEDHM N#Cc1nc(-c2cc([O-])cc(OC(F)(F)F)c2)cc2nc[nH]c21 ZINC001242986803 1102457096 /nfs/dbraw/zinc/45/70/96/1102457096.db2.gz RJDQOQKXWREWIE-UHFFFAOYSA-N -1 3 320.230 3.101 20 30 DGEDHM Cc1cc(N2CCOCC2)ccc1-c1cc(/C=N/[O-])ccc1F ZINC001244167755 1103247765 /nfs/dbraw/zinc/24/77/65/1103247765.db2.gz USCGSTXJZCRZDE-UDWIEESQSA-N -1 3 314.360 3.446 20 30 DGEDHM C/C(=N\C#N)N(C)Cc1ccc(-c2ccc([O-])cc2Cl)nc1 ZINC001245082063 1103849960 /nfs/dbraw/zinc/84/99/60/1103849960.db2.gz RNSSUFJTKYERLX-RGVLZGJSSA-N -1 3 314.776 3.439 20 30 DGEDHM C=C[C@H](COC)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001328537696 1103976172 /nfs/dbraw/zinc/97/61/72/1103976172.db2.gz MVZRKDHCLKZPSK-MRVPVSSYSA-N -1 3 324.154 3.402 20 30 DGEDHM CCCCCCCNC(=S)Nc1cc([O-])ccc1C(=O)OC ZINC001249645065 1105340817 /nfs/dbraw/zinc/34/08/17/1105340817.db2.gz OWOXPTRHVDFRHB-UHFFFAOYSA-N -1 3 324.446 3.436 20 30 DGEDHM Cc1cc(CN(CCC#N)CCC#N)c([O-])cc1Br ZINC001250133654 1105450284 /nfs/dbraw/zinc/45/02/84/1105450284.db2.gz NNWCCZQXWOKZKE-UHFFFAOYSA-N -1 3 322.206 3.092 20 30 DGEDHM CCCCCCCC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001252119943 1105743279 /nfs/dbraw/zinc/74/32/79/1105743279.db2.gz JTGROACJQYMUDB-MRXNPFEDSA-N -1 3 317.437 3.390 20 30 DGEDHM CCCCCCCC[C@@H](O)CNc1ccccc1-c1nnn[n-]1 ZINC001252133196 1105746891 /nfs/dbraw/zinc/74/68/91/1105746891.db2.gz NAMPLSHTMCLYFE-CQSZACIVSA-N -1 3 317.437 3.390 20 30 DGEDHM CCCCCCCC[C@@H](O)CNc1ccccc1-c1nn[n-]n1 ZINC001252133196 1105746896 /nfs/dbraw/zinc/74/68/96/1105746896.db2.gz NAMPLSHTMCLYFE-CQSZACIVSA-N -1 3 317.437 3.390 20 30 DGEDHM C=C[C@@](C)(O)CNc1cc(Br)cc(Cl)c1[O-] ZINC001252569428 1105795934 /nfs/dbraw/zinc/79/59/34/1105795934.db2.gz RTAMHYBYMNLOQF-LLVKDONJSA-N -1 3 306.587 3.157 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2)c(F)c1Cl ZINC001252888907 1105851095 /nfs/dbraw/zinc/85/10/95/1105851095.db2.gz RLVPEYFGFGBFCU-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM C#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1F ZINC001259861229 1107214542 /nfs/dbraw/zinc/21/45/42/1107214542.db2.gz WPIGETUXPSTMIF-UHFFFAOYSA-N -1 3 315.369 3.097 20 30 DGEDHM COc1ccc(C=NOC(C)(C)C)c(Br)c1[O-] ZINC001321085425 1107244163 /nfs/dbraw/zinc/24/41/63/1107244163.db2.gz XDCHODCVNDTCKZ-UHFFFAOYSA-N -1 3 302.168 3.312 20 30 DGEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000384214109 1108263224 /nfs/dbraw/zinc/26/32/24/1108263224.db2.gz PWOLISZJDYNVKB-LBPRGKRZSA-N -1 3 306.214 3.074 20 30 DGEDHM C[C@@H]1CCc2[nH]nc(C(=O)N([O-])Cc3ccccc3Cl)c2C1 ZINC001306894804 1111247615 /nfs/dbraw/zinc/24/76/15/1111247615.db2.gz RJMJZIMCABKYFC-SNVBAGLBSA-N -1 3 319.792 3.220 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cc(OCC(F)F)ccn1 ZINC001306897087 1111248024 /nfs/dbraw/zinc/24/80/24/1111248024.db2.gz YOIKTKOLIQJMHU-UHFFFAOYSA-N -1 3 302.321 3.137 20 30 DGEDHM CCCCN([O-])C(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC001306897686 1111248943 /nfs/dbraw/zinc/24/89/43/1111248943.db2.gz XXSCOELELLVOIQ-UHFFFAOYSA-N -1 3 314.426 3.089 20 30 DGEDHM Cc1ccc(C)c(OCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000078941870 185132447 /nfs/dbraw/zinc/13/24/47/185132447.db2.gz KOXOQPHFRJMRII-UHFFFAOYSA-N -1 3 314.267 3.107 20 30 DGEDHM Cc1ccc(C)c(OCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000078941870 185132449 /nfs/dbraw/zinc/13/24/49/185132449.db2.gz KOXOQPHFRJMRII-UHFFFAOYSA-N -1 3 314.267 3.107 20 30 DGEDHM CCc1cncc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000434555089 529668797 /nfs/dbraw/zinc/66/87/97/529668797.db2.gz GEFGPTTYHXPCDC-CQSZACIVSA-N -1 3 304.353 3.319 20 30 DGEDHM CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c(F)ccc([O-])c1F ZINC000330906250 530051462 /nfs/dbraw/zinc/05/14/62/530051462.db2.gz ZUVMMDWBTDLDAX-LBPRGKRZSA-N -1 3 312.360 3.095 20 30 DGEDHM C[C@H](/N=C/c1c([O-])ccc2ccccc21)[C@H](C)N1CCOCC1 ZINC000105356416 432018267 /nfs/dbraw/zinc/01/82/67/432018267.db2.gz MSGXWXNWOSDTOV-MQFPYMSISA-N -1 3 312.413 3.074 20 30 DGEDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000131020501 432032235 /nfs/dbraw/zinc/03/22/35/432032235.db2.gz KRMZEJDKWCIYHY-UHFFFAOYSA-N -1 3 306.774 3.321 20 30 DGEDHM N#Cc1ccc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000176444998 283119945 /nfs/dbraw/zinc/11/99/45/283119945.db2.gz IOPXNPGLRVIHFN-UHFFFAOYSA-N -1 3 313.407 3.464 20 30 DGEDHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000166470402 432060478 /nfs/dbraw/zinc/06/04/78/432060478.db2.gz ITEYVOVUQOWKMD-LLVKDONJSA-N -1 3 312.822 3.069 20 30 DGEDHM CC1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000169264246 432070618 /nfs/dbraw/zinc/07/06/18/432070618.db2.gz BEODWHIECFYBTE-UHFFFAOYSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(F)cc(F)c3)nc1-2 ZINC000429582017 238055728 /nfs/dbraw/zinc/05/57/28/238055728.db2.gz YOKBAAXUFPCTCD-LBPRGKRZSA-N -1 3 312.279 3.035 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C)c(C)c3)nc1-2 ZINC000429592984 238056486 /nfs/dbraw/zinc/05/64/86/238056486.db2.gz RFPFUFRKJNSXQT-CQSZACIVSA-N -1 3 304.353 3.373 20 30 DGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000070431913 283736988 /nfs/dbraw/zinc/73/69/88/283736988.db2.gz GBXCCNBMCQIMIA-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000451802656 241240532 /nfs/dbraw/zinc/24/05/32/241240532.db2.gz MZKTZAAHJSLEGW-UHFFFAOYSA-N -1 3 324.229 3.247 20 30 DGEDHM C=CCN(CCc1ccccc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459319733 243331937 /nfs/dbraw/zinc/33/19/37/243331937.db2.gz DSNJRYMFOATHKU-UHFFFAOYSA-N -1 3 309.413 3.290 20 30 DGEDHM C[C@H]1CCC[C@](C#N)(NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000469377882 244099328 /nfs/dbraw/zinc/09/93/28/244099328.db2.gz XIFBRTZJSOBXQO-UGSOOPFHSA-N -1 3 318.392 3.443 20 30 DGEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000015629205 182009558 /nfs/dbraw/zinc/00/95/58/182009558.db2.gz XPNLASLCCCBYNG-UHFFFAOYSA-N -1 3 323.396 3.052 20 30 DGEDHM Cc1ccc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000019676490 182136173 /nfs/dbraw/zinc/13/61/73/182136173.db2.gz XWBJZJQYHFAPEQ-UHFFFAOYSA-N -1 3 323.396 3.052 20 30 DGEDHM C=C(C)CO[N-]C(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl ZINC000493102428 245886807 /nfs/dbraw/zinc/88/68/07/245886807.db2.gz FCWCIIMETCFTQV-VOTSOKGWSA-N -1 3 311.813 3.138 20 30 DGEDHM N#Cc1ccc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)s1 ZINC000181750347 432143369 /nfs/dbraw/zinc/14/33/69/432143369.db2.gz SPMCODRXNZDQDU-CQSZACIVSA-N -1 3 324.365 3.291 20 30 DGEDHM CCN(C(=O)c1ccc2n[n-]nc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000065839811 184381059 /nfs/dbraw/zinc/38/10/59/184381059.db2.gz LQWAZYGAIZKAOH-GFCCVEGCSA-N -1 3 319.368 3.053 20 30 DGEDHM Cc1csc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])c1C#N ZINC000344904003 254315250 /nfs/dbraw/zinc/31/52/50/254315250.db2.gz VBXPNLRABVYHFY-UHFFFAOYSA-N -1 3 301.327 3.397 20 30 DGEDHM Cc1nocc1C(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000601129675 400243152 /nfs/dbraw/zinc/24/31/52/400243152.db2.gz WJYDSJHDCUEEBW-JTQLQIEISA-N -1 3 301.371 3.487 20 30 DGEDHM CC[C@@H](C)Cc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000601395020 400298933 /nfs/dbraw/zinc/29/89/33/400298933.db2.gz BCKLZXLOUHYZFI-SNVBAGLBSA-N -1 3 314.389 3.033 20 30 DGEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(OC)cc1[O-] ZINC000119958694 400442121 /nfs/dbraw/zinc/44/21/21/400442121.db2.gz KZNAJBLOOBNMEP-UHFFFAOYSA-N -1 3 315.344 3.368 20 30 DGEDHM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)c(C#N)c(F)c2)s1 ZINC000596886607 400518091 /nfs/dbraw/zinc/51/80/91/400518091.db2.gz KNCIRSOTCADHLF-UHFFFAOYSA-N -1 3 322.340 3.238 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N2CCCC(C)(C)[C@H]2C#N)c1 ZINC000597567486 400646798 /nfs/dbraw/zinc/64/67/98/400646798.db2.gz CRSJTHGDDSDGKP-CQSZACIVSA-N -1 3 304.415 3.268 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2cn(C)nc2-c2ccncc2)ccc1[O-] ZINC000077166005 400690841 /nfs/dbraw/zinc/69/08/41/400690841.db2.gz XFTOIMRKRTUTOU-GQCTYLIASA-N -1 3 319.364 3.392 20 30 DGEDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618890620 400710382 /nfs/dbraw/zinc/71/03/82/400710382.db2.gz KONFMTSDWMPHPH-QGZVFWFLSA-N -1 3 306.365 3.244 20 30 DGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000593278074 400807335 /nfs/dbraw/zinc/80/73/35/400807335.db2.gz GTLWYSCFXBJSQH-ZDUSSCGKSA-N -1 3 318.801 3.086 20 30 DGEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000613929940 400815372 /nfs/dbraw/zinc/81/53/72/400815372.db2.gz QYFDFNIDSKOGHP-GFCCVEGCSA-N -1 3 318.373 3.045 20 30 DGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000619461147 400851587 /nfs/dbraw/zinc/85/15/87/400851587.db2.gz HPUUGNMCZPOJQE-UHFFFAOYSA-N -1 3 324.764 3.346 20 30 DGEDHM CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055941718 400904452 /nfs/dbraw/zinc/90/44/52/400904452.db2.gz PMROUCSRAUIDSQ-UHFFFAOYSA-N -1 3 320.336 3.046 20 30 DGEDHM N#C[C@]1(F)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000615824344 401158687 /nfs/dbraw/zinc/15/86/87/401158687.db2.gz GKPYLBQTZDQAIC-LJQANCHMSA-N -1 3 324.355 3.061 20 30 DGEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cscn3)sc2C1 ZINC000062659561 401175931 /nfs/dbraw/zinc/17/59/31/401175931.db2.gz TYDHZPHOQLAMKG-MRVPVSSYSA-N -1 3 303.412 3.453 20 30 DGEDHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000225227091 165381525 /nfs/dbraw/zinc/38/15/25/165381525.db2.gz ZSCOSDYHLQEIEG-UHFFFAOYSA-N -1 3 306.774 3.321 20 30 DGEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1C#N ZINC000137443537 432177247 /nfs/dbraw/zinc/17/72/47/432177247.db2.gz JZMUZYMVYOWWKW-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=CCC[C@H](Nc1ccc(OC)c([N-]S(C)(=O)=O)c1)C1CC1 ZINC000182729996 432222929 /nfs/dbraw/zinc/22/29/29/432222929.db2.gz DBXKYDPBNDFZDZ-AWEZNQCLSA-N -1 3 324.446 3.223 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/[C@H]2CCO[C@@H](c3ccccc3)C2)c1O ZINC000154232570 227096107 /nfs/dbraw/zinc/09/61/07/227096107.db2.gz OUKBMNVXXVVUPP-UXPNVYJASA-N -1 3 313.353 3.143 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(-c3cnco3)cc2)nc(C)n1 ZINC000342847660 229119904 /nfs/dbraw/zinc/11/99/04/229119904.db2.gz AXLJGRUMXOOJTC-OAHLLOKOSA-N -1 3 318.336 3.239 20 30 DGEDHM N#CC(=C([O-])c1ccc(Cl)c2ncccc12)c1ccncn1 ZINC000338648338 229067866 /nfs/dbraw/zinc/06/78/66/229067866.db2.gz RXJQJOYGRLNGIA-LBPRGKRZSA-N -1 3 308.728 3.168 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)ccc1Br ZINC000354457046 229296076 /nfs/dbraw/zinc/29/60/76/229296076.db2.gz CEJPFWZXGQWNEG-NSHDSACASA-N -1 3 316.158 3.038 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)cc(C)c1OC(F)F ZINC000354472759 229294916 /nfs/dbraw/zinc/29/49/16/229294916.db2.gz PPGCVLJBHCDITC-LBPRGKRZSA-N -1 3 317.295 3.185 20 30 DGEDHM N#Cc1csc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)n1 ZINC000357078682 269979842 /nfs/dbraw/zinc/97/98/42/269979842.db2.gz LUETVODKNLHZKW-LCYFTJDESA-N -1 3 320.377 3.294 20 30 DGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000356131681 266293277 /nfs/dbraw/zinc/29/32/77/266293277.db2.gz NCVILZQIQHDEEY-CQSZACIVSA-N -1 3 324.833 3.213 20 30 DGEDHM Cc1cc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)no1 ZINC000108237740 431129005 /nfs/dbraw/zinc/12/90/05/431129005.db2.gz JHIHOUMUVUOOTF-SNVBAGLBSA-N -1 3 301.371 3.487 20 30 DGEDHM C=CCOCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000085589977 431840433 /nfs/dbraw/zinc/84/04/33/431840433.db2.gz XERCPMSORWLVKM-UHFFFAOYSA-N -1 3 314.179 3.076 20 30 DGEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000040365782 431857295 /nfs/dbraw/zinc/85/72/95/431857295.db2.gz SGTAXQARAKBJCP-SNVBAGLBSA-N -1 3 318.851 3.152 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2sc(COC)nc2C)s1 ZINC000089427367 431865245 /nfs/dbraw/zinc/86/52/45/431865245.db2.gz ZBQHTHFIIHRNLE-UHFFFAOYSA-N -1 3 321.427 3.346 20 30 DGEDHM N#CCCN(Cc1cc([O-])ccc1Br)CC1CC1 ZINC000093091519 431913628 /nfs/dbraw/zinc/91/36/28/431913628.db2.gz AOJQJHAKEGUPBO-UHFFFAOYSA-N -1 3 309.207 3.280 20 30 DGEDHM CCc1nc([N-]C(=O)c2c(F)cc(C#N)cc2F)sc1C ZINC000123905424 431878136 /nfs/dbraw/zinc/87/81/36/431878136.db2.gz VWOROMHTRFWPQD-UHFFFAOYSA-N -1 3 307.325 3.416 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000048852124 431932719 /nfs/dbraw/zinc/93/27/19/431932719.db2.gz BWAMYYADDSONHW-AWEZNQCLSA-N -1 3 303.321 3.128 20 30 DGEDHM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1ccccn1 ZINC000049458274 431940288 /nfs/dbraw/zinc/94/02/88/431940288.db2.gz BFZVODQVZNVLJT-HNNXBMFYSA-N -1 3 322.755 3.411 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1 ZINC000041481404 281367818 /nfs/dbraw/zinc/36/78/18/281367818.db2.gz DJUVVZZEQXKQEC-HNNXBMFYSA-N -1 3 316.364 3.320 20 30 DGEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2cc(F)c(F)cc2F)n1 ZINC000151883757 432284610 /nfs/dbraw/zinc/28/46/10/432284610.db2.gz ITBOVCPFHDRBCC-UHFFFAOYSA-N -1 3 322.290 3.179 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2cccc(F)c2F)c1[O-] ZINC000270912739 432302159 /nfs/dbraw/zinc/30/21/59/432302159.db2.gz MBSKTSWCSUVATM-FUGUBPHRSA-N -1 3 306.312 3.046 20 30 DGEDHM N#CCOc1ccc(/C=C\C(=O)Nc2cccc([O-])c2F)cc1 ZINC000255075215 432407561 /nfs/dbraw/zinc/40/75/61/432407561.db2.gz WUOWAMIOMRNYSG-TWGQIWQCSA-N -1 3 312.300 3.086 20 30 DGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000255378686 432410183 /nfs/dbraw/zinc/41/01/83/432410183.db2.gz KSFNFDLAXGUBDX-TWGQIWQCSA-N -1 3 324.380 3.024 20 30 DGEDHM CC(C)(C#N)c1ccc(NC(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000255595910 432412297 /nfs/dbraw/zinc/41/22/97/432412297.db2.gz HRUQPKWNOIPXQF-BAQGIRSFSA-N -1 3 307.353 3.240 20 30 DGEDHM Cc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000193239372 432458719 /nfs/dbraw/zinc/45/87/19/432458719.db2.gz VTKWYGZUDSEPDZ-UHFFFAOYSA-N -1 3 306.365 3.377 20 30 DGEDHM CCCOc1ccc(/C=N/C[C@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000271570627 432420932 /nfs/dbraw/zinc/42/09/32/432420932.db2.gz VSXMKHKBFXQJEP-ZVCOJXFSSA-N -1 3 319.401 3.286 20 30 DGEDHM Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1[O-] ZINC000272397202 432493793 /nfs/dbraw/zinc/49/37/93/432493793.db2.gz HMSGSOSSNSRNOU-UHFFFAOYSA-N -1 3 306.365 3.377 20 30 DGEDHM CCCCc1nnc([N-]C(=O)c2cccc(F)c2C#N)s1 ZINC000186081188 432557986 /nfs/dbraw/zinc/55/79/86/432557986.db2.gz IHCPTJPMVOBKFE-UHFFFAOYSA-N -1 3 304.350 3.144 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)cc1F ZINC000186581496 432610351 /nfs/dbraw/zinc/61/03/51/432610351.db2.gz WUNRCZUZTRTREH-LRDDRELGSA-N -1 3 324.421 3.026 20 30 DGEDHM Cc1[nH]c2ccccc2c1CC/N=C/c1c([O-])c(C)ncc1CO ZINC000263798291 432577179 /nfs/dbraw/zinc/57/71/79/432577179.db2.gz SLQOAJOGSAGZIL-KEBDBYFISA-N -1 3 323.396 3.039 20 30 DGEDHM C=CCCCCCN(C)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000156074587 432587205 /nfs/dbraw/zinc/58/72/05/432587205.db2.gz LAEZLGIQNFYALM-UHFFFAOYSA-N -1 3 304.390 3.169 20 30 DGEDHM C=C(C)COc1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000187708305 432678506 /nfs/dbraw/zinc/67/85/06/432678506.db2.gz KHCIAOWCTORAED-UHFFFAOYSA-N -1 3 308.341 3.165 20 30 DGEDHM C=C(C)COc1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000187708305 432678507 /nfs/dbraw/zinc/67/85/07/432678507.db2.gz KHCIAOWCTORAED-UHFFFAOYSA-N -1 3 308.341 3.165 20 30 DGEDHM C=C(C)COc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000187708305 432678511 /nfs/dbraw/zinc/67/85/11/432678511.db2.gz KHCIAOWCTORAED-UHFFFAOYSA-N -1 3 308.341 3.165 20 30 DGEDHM COc1cc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)ccc1[O-] ZINC000276177388 432779838 /nfs/dbraw/zinc/77/98/38/432779838.db2.gz SAYDVJNSQATWNP-UHFFFAOYSA-N -1 3 324.380 3.323 20 30 DGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189742584 432816121 /nfs/dbraw/zinc/81/61/21/432816121.db2.gz AVNIXPLVXRLQFQ-UHFFFAOYSA-N -1 3 312.803 3.382 20 30 DGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189746725 432816526 /nfs/dbraw/zinc/81/65/26/432816526.db2.gz XVYSUHHTDQPGRE-UHFFFAOYSA-N -1 3 312.803 3.382 20 30 DGEDHM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000162349512 432821554 /nfs/dbraw/zinc/82/15/54/432821554.db2.gz RNVZKUVKQHBIRV-LBPRGKRZSA-N -1 3 320.352 3.235 20 30 DGEDHM C=C(C)[C@H](Cc1nc(-c2ccc([O-])c(OCC)c2)no1)OCC ZINC000277841173 432878049 /nfs/dbraw/zinc/87/80/49/432878049.db2.gz IRTMEHKTGUNYFC-AWEZNQCLSA-N -1 3 318.373 3.365 20 30 DGEDHM C[C@H](NC(=O)c1csc(=O)[n-]1)c1nc(C2CCCCC2)no1 ZINC000329990071 432886104 /nfs/dbraw/zinc/88/61/04/432886104.db2.gz VTRBOZFLUKYWDW-QMMMGPOBSA-N -1 3 322.390 3.345 20 30 DGEDHM C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000298104360 433049299 /nfs/dbraw/zinc/04/92/99/433049299.db2.gz LQRHIKZDBCIWOC-AWEZNQCLSA-N -1 3 313.401 3.248 20 30 DGEDHM CCCOc1ccc(/C=N/Cc2nnc(CC)s2)c([O-])c1 ZINC000290586224 433105446 /nfs/dbraw/zinc/10/54/46/433105446.db2.gz PZONLPBJBINPKU-CXUHLZMHSA-N -1 3 305.403 3.214 20 30 DGEDHM C#CCO[N-]C(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000291265660 433229335 /nfs/dbraw/zinc/22/93/35/433229335.db2.gz NIZMZNKTZZHAOO-MOPGFXCFSA-N -1 3 321.376 3.050 20 30 DGEDHM CCCOc1ccc(/N=C/c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000298796543 433247964 /nfs/dbraw/zinc/24/79/64/433247964.db2.gz VSVLHWHDUXXZKL-KEBDBYFISA-N -1 3 314.385 3.436 20 30 DGEDHM C[C@H]1CCN(C(=O)Cc2c(F)cccc2C#N)c2c([O-])cccc21 ZINC000354763627 433263791 /nfs/dbraw/zinc/26/37/91/433263791.db2.gz COIZFKPTUFBFNF-LBPRGKRZSA-N -1 3 324.355 3.486 20 30 DGEDHM Cc1ncc(CO)c(/C=N/c2ccc(COC(C)C)cc2)c1[O-] ZINC000299164777 433338586 /nfs/dbraw/zinc/33/85/86/433338586.db2.gz NFUQSRQEWMBUQF-AWQFTUOYSA-N -1 3 314.385 3.264 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccn1C ZINC000362191842 433576529 /nfs/dbraw/zinc/57/65/29/433576529.db2.gz RILCSVBHOXZNBL-GFCCVEGCSA-N -1 3 321.302 3.491 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(OCC(F)(F)F)cc1 ZINC000293048618 433612219 /nfs/dbraw/zinc/61/22/19/433612219.db2.gz LIOUARHUJRHFEZ-UHFFFAOYSA-N -1 3 323.261 3.455 20 30 DGEDHM C=CCC1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)CCCC1 ZINC000456481194 433686371 /nfs/dbraw/zinc/68/63/71/433686371.db2.gz AQAWOVRTUIWNGQ-UHFFFAOYSA-N -1 3 319.401 3.276 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2Cl)o1 ZINC000342463129 433709132 /nfs/dbraw/zinc/70/91/32/433709132.db2.gz DDMCEHOQSSXOFZ-UHFFFAOYSA-N -1 3 317.153 3.259 20 30 DGEDHM C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccc(C#N)cc1 ZINC000357203666 433907908 /nfs/dbraw/zinc/90/79/08/433907908.db2.gz LGPUWZVQTAMTEX-NSHDSACASA-N -1 3 314.772 3.337 20 30 DGEDHM CSc1cccc(F)c1C/N=C/c1c([O-])c(C)ncc1CO ZINC000285311972 433923278 /nfs/dbraw/zinc/92/32/78/433923278.db2.gz KETMWGYTKPRSIL-CNHKJKLMSA-N -1 3 320.389 3.068 20 30 DGEDHM C=C(C)COCCNC(=O)CCc1ccc2ccccc2c1[O-] ZINC000450137180 433988468 /nfs/dbraw/zinc/98/84/68/433988468.db2.gz PXZMOJAEOCWPTI-UHFFFAOYSA-N -1 3 313.397 3.187 20 30 DGEDHM N#C[C@@H](NC(=O)c1cc2c(cc1[O-])CCCC2)c1ccccc1F ZINC000436570482 434016159 /nfs/dbraw/zinc/01/61/59/434016159.db2.gz QUKYEUJVZVLKTB-QGZVFWFLSA-N -1 3 324.355 3.405 20 30 DGEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436634741 434045806 /nfs/dbraw/zinc/04/58/06/434045806.db2.gz LCKUHJLEBGSFJK-UHFFFAOYSA-N -1 3 309.365 3.423 20 30 DGEDHM CN(C)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000436699309 434071216 /nfs/dbraw/zinc/07/12/16/434071216.db2.gz UARZHSNMFPJLKB-OAHLLOKOSA-N -1 3 319.364 3.379 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1cc(OC)c(OC)cc1F ZINC000294314265 434083036 /nfs/dbraw/zinc/08/30/36/434083036.db2.gz OAFBNCCRRJDURO-SECBINFHSA-N -1 3 317.307 3.232 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCOc2c(Cl)cccc21 ZINC000294442776 434116979 /nfs/dbraw/zinc/11/69/79/434116979.db2.gz FNCOZOLJRDAEJG-LLVKDONJSA-N -1 3 301.720 3.491 20 30 DGEDHM N#CCCN(CCC#N)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000294682827 434127507 /nfs/dbraw/zinc/12/75/07/434127507.db2.gz XXDYVYPLXGEEKK-UHFFFAOYSA-N -1 3 321.380 3.134 20 30 DGEDHM N#CCCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436825474 434128034 /nfs/dbraw/zinc/12/80/34/434128034.db2.gz KXCZYOMSPLVEIG-UHFFFAOYSA-N -1 3 308.381 3.211 20 30 DGEDHM CCCCOc1ccc(C(=O)N(C)CC(C)(C)C#N)c([O-])c1 ZINC000436985291 434194732 /nfs/dbraw/zinc/19/47/32/434194732.db2.gz OHRRHEAUWZETRH-UHFFFAOYSA-N -1 3 304.390 3.193 20 30 DGEDHM N#Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c(Cl)c1 ZINC000417016824 434269089 /nfs/dbraw/zinc/26/90/89/434269089.db2.gz ITKHJZVJNUUEGZ-UHFFFAOYSA-N -1 3 300.749 3.197 20 30 DGEDHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000388852487 434342197 /nfs/dbraw/zinc/34/21/97/434342197.db2.gz BPEPDJAKMOCKBD-WCQYABFASA-N -1 3 312.822 3.069 20 30 DGEDHM CCc1noc(C)c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000329548181 434428966 /nfs/dbraw/zinc/42/89/66/434428966.db2.gz IPLOYSDPAZRTQC-UHFFFAOYSA-N -1 3 303.366 3.278 20 30 DGEDHM CC(C)(C)c1cc([N-]C(=O)Cn2cnc3c2CCCC3)on1 ZINC000329805113 434481667 /nfs/dbraw/zinc/48/16/67/434481667.db2.gz AJGSKNMNNPZIIF-UHFFFAOYSA-N -1 3 302.378 3.336 20 30 DGEDHM COc1cc(/C=C2/Oc3cc(F)ccc3C2=O)cc(OC)c1[O-] ZINC000369666508 434599186 /nfs/dbraw/zinc/59/91/86/434599186.db2.gz WLKAMIUIEHTHCH-VIZOYTHASA-N -1 3 316.284 3.165 20 30 DGEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440388240 434699462 /nfs/dbraw/zinc/69/94/62/434699462.db2.gz IGFFUYRHOXCGMJ-SNVBAGLBSA-N -1 3 308.790 3.074 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000491984444 434893874 /nfs/dbraw/zinc/89/38/74/434893874.db2.gz PIDAJUCOOHWDQL-HJWRWDBZSA-N -1 3 308.381 3.405 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3noc4c3CCCC4)[nH]c21 ZINC000522830246 434933638 /nfs/dbraw/zinc/93/36/38/434933638.db2.gz VLBPDIYNGOMCHL-LBPRGKRZSA-N -1 3 320.352 3.228 20 30 DGEDHM O=C1OCCN1c1cc(N=Cc2ccccc2[O-])ccc1F ZINC000492480236 434992556 /nfs/dbraw/zinc/99/25/56/434992556.db2.gz CIDUXGOMKMZSIL-UHFFFAOYSA-N -1 3 300.289 3.239 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc3c2CCCC3)nc(C)n1 ZINC000556479876 435009490 /nfs/dbraw/zinc/00/94/90/435009490.db2.gz BWZNBBDCWPBGMU-KRWDZBQOSA-N -1 3 305.381 3.462 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cccc2[n-]nnc21 ZINC000527181619 435009802 /nfs/dbraw/zinc/00/98/02/435009802.db2.gz PDXSIQZBZLNUSC-UHFFFAOYSA-N -1 3 306.369 3.176 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cccc2nn[n-]c21 ZINC000527181619 435009807 /nfs/dbraw/zinc/00/98/07/435009807.db2.gz PDXSIQZBZLNUSC-UHFFFAOYSA-N -1 3 306.369 3.176 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cccc2n[n-]nc21 ZINC000527181619 435009812 /nfs/dbraw/zinc/00/98/12/435009812.db2.gz PDXSIQZBZLNUSC-UHFFFAOYSA-N -1 3 306.369 3.176 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c(F)c1 ZINC000557661874 435061615 /nfs/dbraw/zinc/06/16/15/435061615.db2.gz QUHXDQGAGVQWSY-UHFFFAOYSA-N -1 3 316.766 3.213 20 30 DGEDHM C#CCO[N-]C(=O)/C=C\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000493158870 435117242 /nfs/dbraw/zinc/11/72/42/435117242.db2.gz PFFODSYLSCMUEZ-XQRVVYSFSA-N -1 3 303.667 3.053 20 30 DGEDHM Cc1cc(C#N)cnc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000560379557 435164659 /nfs/dbraw/zinc/16/46/59/435164659.db2.gz IEGAVPGVVDFQRB-LLVKDONJSA-N -1 3 307.353 3.121 20 30 DGEDHM Cc1nsc([N-]c2ccn([C@H](C)c3ccccc3)n2)c1C#N ZINC000588823027 435295771 /nfs/dbraw/zinc/29/57/71/435295771.db2.gz DFMLCXPNPHWRKL-GFCCVEGCSA-N -1 3 309.398 3.873 20 30 DGEDHM C=CCOCCCSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000478790260 435309787 /nfs/dbraw/zinc/30/97/87/435309787.db2.gz UVOIILNWNLCOMT-UHFFFAOYSA-N -1 3 305.403 3.032 20 30 DGEDHM N#C[C@H]1CC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000567716349 435346966 /nfs/dbraw/zinc/34/69/66/435346966.db2.gz QAFHRZRBNIKLOG-DLBZAZTESA-N -1 3 320.392 3.405 20 30 DGEDHM CCOc1nc2ccc(C(=O)Nc3ccccc3CC#N)cc2[n-]1 ZINC000568444828 435436100 /nfs/dbraw/zinc/43/61/00/435436100.db2.gz CDCLOCJBVJWBNR-UHFFFAOYSA-N -1 3 320.352 3.280 20 30 DGEDHM CCOc1nc2cc(C(=O)Nc3ccccc3CC#N)ccc2[n-]1 ZINC000568444828 435436105 /nfs/dbraw/zinc/43/61/05/435436105.db2.gz CDCLOCJBVJWBNR-UHFFFAOYSA-N -1 3 320.352 3.280 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(N3CCCC3)c2)nc(C)n1 ZINC000659024405 436460068 /nfs/dbraw/zinc/46/00/68/436460068.db2.gz BTUPXLOGXQPHMN-QGZVFWFLSA-N -1 3 320.396 3.184 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(C(C)(C)C)n3)nc21 ZINC000654981610 436479734 /nfs/dbraw/zinc/47/97/34/436479734.db2.gz UZFVBMOYDCCQCQ-GFCCVEGCSA-N -1 3 321.384 3.313 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1 ZINC000333102231 303191835 /nfs/dbraw/zinc/19/18/35/303191835.db2.gz CXSMIUCYHYAQPX-UHFFFAOYSA-N -1 3 324.833 3.213 20 30 DGEDHM N#Cc1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000189064252 323432512 /nfs/dbraw/zinc/43/25/12/323432512.db2.gz GOZJFZGWIMCBGX-UHFFFAOYSA-N -1 3 320.270 3.213 20 30 DGEDHM CCC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1 ZINC000382577717 323622503 /nfs/dbraw/zinc/62/25/03/323622503.db2.gz WILAPGFCRFQVDF-UHFFFAOYSA-N -1 3 312.822 3.213 20 30 DGEDHM COc1ccc(N=Cc2ccccc2[O-])cc1N1CCOC1=O ZINC000255569695 331773470 /nfs/dbraw/zinc/77/34/70/331773470.db2.gz SSGMDUNQMFRCME-UHFFFAOYSA-N -1 3 312.325 3.108 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H](CCC#N)c2ccccc2)c1[O-] ZINC000269575634 334002407 /nfs/dbraw/zinc/00/24/07/334002407.db2.gz CLNJXSWKMDWNTL-LASGFXPTSA-N -1 3 309.369 3.052 20 30 DGEDHM C=CCOc1cccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436605463 338279607 /nfs/dbraw/zinc/27/96/07/338279607.db2.gz KWTZPSZJYVBTMA-UHFFFAOYSA-N -1 3 311.337 3.412 20 30 DGEDHM C=CCNC(=O)Nc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000185536571 340502501 /nfs/dbraw/zinc/50/25/01/340502501.db2.gz ITPGHOICXGBAGV-UHFFFAOYSA-N -1 3 315.348 3.451 20 30 DGEDHM C=CCOc1ccccc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000564623749 341505396 /nfs/dbraw/zinc/50/53/96/341505396.db2.gz UERGMYZRIDBXGI-UHFFFAOYSA-N -1 3 319.324 3.240 20 30 DGEDHM Cn1cc(Oc2ccccc2C([O-])=C(C#N)c2ccccn2)cn1 ZINC000338626436 534748023 /nfs/dbraw/zinc/74/80/23/534748023.db2.gz NXLXWFLBBLJSOB-OAHLLOKOSA-N -1 3 318.336 3.097 20 30 DGEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc([O-])c(OC)c1 ZINC000357613730 526364626 /nfs/dbraw/zinc/36/46/26/526364626.db2.gz MVALQANRGFBREL-UHFFFAOYSA-N -1 3 315.344 3.368 20 30 DGEDHM C=CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158081878 527076395 /nfs/dbraw/zinc/07/63/95/527076395.db2.gz SCIRZMHIOYQFKL-OAHLLOKOSA-N -1 3 322.836 3.092 20 30 DGEDHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000431603276 527616885 /nfs/dbraw/zinc/61/68/85/527616885.db2.gz YTUPJPGHJZGZDK-UHFFFAOYSA-N -1 3 312.410 3.048 20 30 DGEDHM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183576809 528105785 /nfs/dbraw/zinc/10/57/85/528105785.db2.gz NTLDICZIVIXDOB-NSHDSACASA-N -1 3 300.811 3.069 20 30 DGEDHM CCOc1cc(-c2noc(-c3cc(C#N)cs3)n2)ccc1[O-] ZINC000445430283 528189279 /nfs/dbraw/zinc/18/92/79/528189279.db2.gz IVLIWDPGDRFBGA-UHFFFAOYSA-N -1 3 313.338 3.441 20 30 DGEDHM CCCn1c(C([O-])=C(C#N)c2ccncn2)cc2ccccc21 ZINC000345176228 528810170 /nfs/dbraw/zinc/81/01/70/528810170.db2.gz YQLLQYOHFPSQFL-CQSZACIVSA-N -1 3 304.353 3.331 20 30 DGEDHM CCOC(=O)N1CC[C@@H](/N=C\c2c([O-])ccc3ccccc32)C1 ZINC000495464007 535779199 /nfs/dbraw/zinc/77/91/99/535779199.db2.gz RPMZAWLQIORVRM-AXLWCPOOSA-N -1 3 312.369 3.195 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3coc(C4CC4)n3)[nH]c21 ZINC000670119521 547728405 /nfs/dbraw/zinc/72/84/05/547728405.db2.gz IPHKHUBMJNRSPD-LLVKDONJSA-N -1 3 306.325 3.227 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3occ4c3CCC4)nc21 ZINC000671767041 547831005 /nfs/dbraw/zinc/83/10/05/547831005.db2.gz VRUAMRGFLSRVDG-ZDUSSCGKSA-N -1 3 305.337 3.443 20 30 DGEDHM N#CC(=C([O-])c1cccc(Oc2nccs2)c1)c1ccncn1 ZINC000680617663 549075834 /nfs/dbraw/zinc/07/58/34/549075834.db2.gz XZVZPKAAGHVXRX-ZDUSSCGKSA-N -1 3 322.349 3.215 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@@]1(O)CCCc2ccccc21 ZINC000731317797 574546962 /nfs/dbraw/zinc/54/69/62/574546962.db2.gz CSEMQJKNGNAGOW-SCWSXOCZSA-N -1 3 311.381 3.044 20 30 DGEDHM COc1cccc([O-])c1/C=N/[C@H]1CCCN(c2ccccc2)C1 ZINC000734303030 574655463 /nfs/dbraw/zinc/65/54/63/574655463.db2.gz ASLHYDWYAKPMJP-NPRIEWAGSA-N -1 3 310.397 3.489 20 30 DGEDHM CCOc1ccc(C=Nc2cccc(C[S@](C)=O)c2)c([O-])c1 ZINC000734366407 574657767 /nfs/dbraw/zinc/65/77/67/574657767.db2.gz QNAOBYDIAPSSLY-QFIPXVFZSA-N -1 3 317.410 3.420 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)C(C)(C)C ZINC000734341712 574656898 /nfs/dbraw/zinc/65/68/98/574656898.db2.gz XYGPRSSWLPXUNU-LLVKDONJSA-N -1 3 317.433 3.007 20 30 DGEDHM Cc1ccc(F)c2c1C(=N[N-]c1c(F)cccc1F)C(=O)N2 ZINC000735615608 574709558 /nfs/dbraw/zinc/70/95/58/574709558.db2.gz UTSHAIUTTWHVKS-UHFFFAOYSA-N -1 3 305.259 3.181 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNc1c(F)cccc1F)C(=O)[N-]2 ZINC000735615608 574709559 /nfs/dbraw/zinc/70/95/59/574709559.db2.gz UTSHAIUTTWHVKS-UHFFFAOYSA-N -1 3 305.259 3.181 20 30 DGEDHM CCc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000736682786 574802983 /nfs/dbraw/zinc/80/29/83/574802983.db2.gz MIFOEHCZBBVNHZ-HJWRWDBZSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000736682786 574802985 /nfs/dbraw/zinc/80/29/85/574802985.db2.gz MIFOEHCZBBVNHZ-HJWRWDBZSA-N -1 3 310.382 3.387 20 30 DGEDHM CC[C@H](C#N)Oc1cccc(CN[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000736847408 574808761 /nfs/dbraw/zinc/80/87/61/574808761.db2.gz CSAVWMWNMXTKEX-AEFFLSMTSA-N -1 3 324.380 3.283 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)c1c(Cl)cccc1-c1nnn[n-]1 ZINC000736816308 574807450 /nfs/dbraw/zinc/80/74/50/574807450.db2.gz FZKNERZKXRYZAS-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccc(C#N)cc1)c1c(Cl)cccc1-c1nn[n-]n1 ZINC000736816308 574807452 /nfs/dbraw/zinc/80/74/52/574807452.db2.gz FZKNERZKXRYZAS-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737030723 574817728 /nfs/dbraw/zinc/81/77/28/574817728.db2.gz CBJQAJKLRGOLHF-SFHVURJKSA-N -1 3 324.380 3.263 20 30 DGEDHM COc1ccc(C=CC(=O)c2cccc(C)c2)cc1-c1nnn[n-]1 ZINC000737082534 574822712 /nfs/dbraw/zinc/82/27/12/574822712.db2.gz WWHUSMUKDLUJCJ-VURMDHGXSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2cccc(C)c2)cc1-c1nn[n-]n1 ZINC000737082534 574822714 /nfs/dbraw/zinc/82/27/14/574822714.db2.gz WWHUSMUKDLUJCJ-VURMDHGXSA-N -1 3 320.352 3.080 20 30 DGEDHM CCOCc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737177129 574825713 /nfs/dbraw/zinc/82/57/13/574825713.db2.gz BBBOLDIPPGLCHE-SFHVURJKSA-N -1 3 324.380 3.010 20 30 DGEDHM CN(Cc1cccc(Cl)c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737486419 574847911 /nfs/dbraw/zinc/84/79/11/574847911.db2.gz KQLGBAKLNUYYRC-MRXNPFEDSA-N -1 3 314.772 3.469 20 30 DGEDHM COc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737947410 574857441 /nfs/dbraw/zinc/85/74/41/574857441.db2.gz IDLAPPYTEHMHSH-PXAZEXFGSA-N -1 3 310.353 3.043 20 30 DGEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCc3sccc3C2)cc1 ZINC000739106967 574892147 /nfs/dbraw/zinc/89/21/47/574892147.db2.gz VANHPNSCNGWBRC-INIZCTEOSA-N -1 3 312.394 3.194 20 30 DGEDHM N#Cc1ccc([C@@H](NCc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000739106535 574892418 /nfs/dbraw/zinc/89/24/18/574892418.db2.gz NHHSCCRUOCRZJK-OAHLLOKOSA-N -1 3 300.745 3.127 20 30 DGEDHM COc1cccc([O-])c1/C=N\[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000741841950 574973095 /nfs/dbraw/zinc/97/30/95/574973095.db2.gz CUUBNZTZSOQMAY-BTINGTBKSA-N -1 3 324.380 3.014 20 30 DGEDHM [O-]c1ccccc1C=Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000741844810 574973208 /nfs/dbraw/zinc/97/32/08/574973208.db2.gz QHIHMWPQLVSWIA-UHFFFAOYSA-N -1 3 323.331 3.135 20 30 DGEDHM Cc1ccc(N2CCC[C@@H](/N=C\c3ccccc3[O-])C2=O)cc1 ZINC000741841552 574973302 /nfs/dbraw/zinc/97/33/02/574973302.db2.gz BBKYPTDLQVPMTH-VJOZSWGJSA-N -1 3 308.381 3.315 20 30 DGEDHM COc1cccc([O-])c1/C=N\[C@@H]1C[C@H](C)N(c2ccccc2)C1=O ZINC000741841953 574973309 /nfs/dbraw/zinc/97/33/09/574973309.db2.gz CUUBNZTZSOQMAY-LRYIPADVSA-N -1 3 324.380 3.014 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@H](C)Oc1ccccc1OC ZINC000743043792 575032998 /nfs/dbraw/zinc/03/29/98/575032998.db2.gz ACXYKEVIFYWGRJ-HCZVKUGISA-N -1 3 315.369 3.296 20 30 DGEDHM N#C[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000729987119 575269296 /nfs/dbraw/zinc/26/92/96/575269296.db2.gz SKQRKGIPXYPVGQ-ZDUSSCGKSA-N -1 3 308.337 3.016 20 30 DGEDHM COc1ccccc1C(C)(C)C/N=C/c1ccc(O)c([O-])c1O ZINC000745021828 575370026 /nfs/dbraw/zinc/37/00/26/575370026.db2.gz SEAZBJYOSXUWKA-VXLYETTFSA-N -1 3 315.369 3.209 20 30 DGEDHM CSc1ccc(F)cc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000745975827 575425909 /nfs/dbraw/zinc/42/59/09/575425909.db2.gz BQXUFCQLTXSAIZ-LSCVHKIXSA-N -1 3 320.389 3.068 20 30 DGEDHM [O-]c1cc(O)ccc1C=NNc1cccc(Br)c1 ZINC000745988019 575426609 /nfs/dbraw/zinc/42/66/09/575426609.db2.gz NYUIUOFAIFCDLH-UHFFFAOYSA-N -1 3 307.147 3.306 20 30 DGEDHM COc1ccc(C=NNc2cc([N+](=O)[O-])ccc2C)c([O-])c1 ZINC000747060447 575493603 /nfs/dbraw/zinc/49/36/03/575493603.db2.gz REDIPPGJXGVVFV-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM O=C(C#Cc1ccccc1)Nc1ccc(Br)cc1[O-] ZINC000747359603 575514041 /nfs/dbraw/zinc/51/40/41/575514041.db2.gz RFDVIABIKFQWAP-UHFFFAOYSA-N -1 3 316.154 3.145 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CCCSc2ccccc2)c1[O-] ZINC000747712951 575534737 /nfs/dbraw/zinc/53/47/37/575534737.db2.gz LIKQCIRJDCYZFA-WQRHYEAKSA-N -1 3 316.426 3.189 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=C(C3CC3)C3CC3)nc1-2 ZINC000750722393 575746942 /nfs/dbraw/zinc/74/69/42/575746942.db2.gz CCWZXZCETFMRLO-AWEZNQCLSA-N -1 3 306.369 3.189 20 30 DGEDHM C[C@H](/N=C\c1ccc(O)c([O-])c1O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000752153055 575824934 /nfs/dbraw/zinc/82/49/34/575824934.db2.gz WRMUPFGQMGRBKS-ICZTUKNKSA-N -1 3 313.353 3.176 20 30 DGEDHM O=c1[n-]ncc(N=NC[C@@H]2CCCc3ccccc32)c1Cl ZINC000752160135 575825231 /nfs/dbraw/zinc/82/52/31/575825231.db2.gz HKYOXKFOGVWLPI-NSHDSACASA-N -1 3 302.765 3.353 20 30 DGEDHM CCC[C@H](Cc1ccccc1)/N=C\c1c([O-])c(C)ncc1CO ZINC000727781379 576145058 /nfs/dbraw/zinc/14/50/58/576145058.db2.gz LHTZXOSPEATEJW-CTPANLQCSA-N -1 3 312.413 3.418 20 30 DGEDHM COc1ccc([O-])c(C=NNc2cccc([N+](=O)[O-])c2C)c1 ZINC000727973140 576156806 /nfs/dbraw/zinc/15/68/06/576156806.db2.gz SAUSFQDQFGKJJG-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM COc1ccc([O-])c(C(C)=NNc2cccc([N+](=O)[O-])c2C)c1 ZINC000727973418 576156959 /nfs/dbraw/zinc/15/69/59/576156959.db2.gz ZURWBATWXIAJRD-UHFFFAOYSA-N -1 3 315.329 3.454 20 30 DGEDHM COc1cccc([O-])c1/C=N\[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000728225968 576170300 /nfs/dbraw/zinc/17/03/00/576170300.db2.gz BXJNIBOPMGVSGD-OEKFUPINSA-N -1 3 324.380 3.100 20 30 DGEDHM N#Cc1cc(F)ccc1COC(=O)c1ccc(Cl)cc1[O-] ZINC000728616572 576191354 /nfs/dbraw/zinc/19/13/54/576191354.db2.gz QEZLRAFFOUMDCJ-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM C[C@@H]1SCC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000843262939 630638343 /nfs/dbraw/zinc/63/83/43/630638343.db2.gz GIBUKCXNGFQPSD-XWXXAIOBSA-N -1 3 300.221 3.468 20 30 DGEDHM C=CC[C@@H]1CCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000890545126 617609060 /nfs/dbraw/zinc/60/90/60/617609060.db2.gz CSSJYUHSUFZZDE-SNVBAGLBSA-N -1 3 323.418 3.281 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cnc(C4CC4)o3)[nH]c21 ZINC000892702749 618143112 /nfs/dbraw/zinc/14/31/12/618143112.db2.gz FOCXRCLUNJSISE-LLVKDONJSA-N -1 3 306.325 3.227 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCC#Cc3ccccc3)n[n-]2)o1 ZINC000920118150 620784339 /nfs/dbraw/zinc/78/43/39/620784339.db2.gz USPLSPFQGDQJTQ-UHFFFAOYSA-N -1 3 306.321 3.187 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCC#Cc3ccccc3)[n-]n2)o1 ZINC000920118150 620784342 /nfs/dbraw/zinc/78/43/42/620784342.db2.gz USPLSPFQGDQJTQ-UHFFFAOYSA-N -1 3 306.321 3.187 20 30 DGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C)c(C)c1 ZINC000920386570 620798864 /nfs/dbraw/zinc/79/88/64/620798864.db2.gz COQVOUXZSGTIEH-UHFFFAOYSA-N -1 3 316.426 3.147 20 30 DGEDHM C=CCC[C@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccccc1 ZINC000893207907 618475250 /nfs/dbraw/zinc/47/52/50/618475250.db2.gz WTVPNXNVXLHMSY-HNNXBMFYSA-N -1 3 323.396 3.211 20 30 DGEDHM N#CC1(CNCc2cc(Br)cc(F)c2[O-])CCC1 ZINC000895026911 618516390 /nfs/dbraw/zinc/51/63/90/618516390.db2.gz SIZOQXPNOQZYDY-UHFFFAOYSA-N -1 3 313.170 3.077 20 30 DGEDHM C#CCn1ccc(CN(CC)Cc2c([O-])cc(C)cc2Cl)n1 ZINC000840940499 618613424 /nfs/dbraw/zinc/61/34/24/618613424.db2.gz CORJDMMZGRMEAY-UHFFFAOYSA-N -1 3 317.820 3.206 20 30 DGEDHM C=C1CC(C)(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)C1 ZINC000896911441 618983114 /nfs/dbraw/zinc/98/31/14/618983114.db2.gz SYROYWIRKVNQOD-UHFFFAOYSA-N -1 3 324.384 3.052 20 30 DGEDHM C=C[C@@H]1OCCC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000840709526 618986798 /nfs/dbraw/zinc/98/67/98/618986798.db2.gz NJTTVZKEIRGIEW-YFQHGYJUSA-N -1 3 310.191 3.307 20 30 DGEDHM Cn1nccc1[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCO1 ZINC000840710889 619006705 /nfs/dbraw/zinc/00/67/05/619006705.db2.gz VQMGSVXOFADFOB-OJXHPSIPSA-N -1 3 319.792 3.118 20 30 DGEDHM CC(C)(C)CC(=N[N-]S(=O)(=O)Cc1ccccc1)C1CC1 ZINC000787154617 619241190 /nfs/dbraw/zinc/24/11/90/619241190.db2.gz XOTAZIHVXVFVCN-UHFFFAOYSA-N -1 3 308.447 3.308 20 30 DGEDHM Cc1cc(F)ccc1[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000899226836 619319636 /nfs/dbraw/zinc/31/96/36/619319636.db2.gz ZVGDASMWYVKRSP-FEQLDZPWSA-N -1 3 302.349 3.216 20 30 DGEDHM Cc1cc(F)ccc1[C@H](C)/N=C\c1c([O-])c(C)ncc1CO ZINC000899226839 619319685 /nfs/dbraw/zinc/31/96/85/619319685.db2.gz ZVGDASMWYVKRSP-WTBFLKMWSA-N -1 3 302.349 3.216 20 30 DGEDHM CC(C)c1c(-c2cccc(Cl)c2)[n-]n([C@H](C)CC#N)c1=O ZINC000899350090 619328881 /nfs/dbraw/zinc/32/88/81/619328881.db2.gz UCELIQHNCCGAEI-RISCZKNCSA-N -1 3 303.793 3.461 20 30 DGEDHM O=C(/C=C/c1ccc([O-])cc1F)c1cnn(CC2CCC2)c1 ZINC000899422369 619340042 /nfs/dbraw/zinc/34/00/42/619340042.db2.gz PVMFAUCKPWZBHE-FNORWQNLSA-N -1 3 300.333 3.424 20 30 DGEDHM C=CCCOCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096440 619404671 /nfs/dbraw/zinc/40/46/71/619404671.db2.gz DNLKGLLUTJMHAW-UHFFFAOYSA-N -1 3 304.173 3.304 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)no1 ZINC000900096574 619404702 /nfs/dbraw/zinc/40/47/02/619404702.db2.gz JAKHTKLFYHHHHY-UHFFFAOYSA-N -1 3 301.129 3.321 20 30 DGEDHM CN1CCCC[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096754 619404736 /nfs/dbraw/zinc/40/47/36/619404736.db2.gz OITPROUJQSLEQZ-CYBMUJFWSA-N -1 3 317.216 3.196 20 30 DGEDHM O=C(c1ccoc1Br)N([O-])Cc1ccc(F)cc1 ZINC000900096048 619404746 /nfs/dbraw/zinc/40/47/46/619404746.db2.gz PGJLCILRDCFOAC-UHFFFAOYSA-N -1 3 314.110 3.213 20 30 DGEDHM CCCCCCN(O)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000900679434 619445028 /nfs/dbraw/zinc/44/50/28/619445028.db2.gz QWOWCBWBGRWKPG-UHFFFAOYSA-N -1 3 324.327 3.218 20 30 DGEDHM CCOCc1nc(C)cc(N=NC(C)c2cc([O-])cc(F)c2)n1 ZINC000901278968 619481375 /nfs/dbraw/zinc/48/13/75/619481375.db2.gz XXJVHHQGPXDMBB-UHFFFAOYSA-N -1 3 318.352 3.002 20 30 DGEDHM O=C(c1ccn(C2CCCC2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901372176 619490981 /nfs/dbraw/zinc/49/09/81/619490981.db2.gz UARXORZTRIYMOU-UHFFFAOYSA-N -1 3 303.337 3.169 20 30 DGEDHM O=C(CCc1cccc(F)c1F)N([O-])Cc1ccc(F)cc1 ZINC000901374917 619491822 /nfs/dbraw/zinc/49/18/22/619491822.db2.gz WTGKAJJVHRIEQD-UHFFFAOYSA-N -1 3 309.287 3.455 20 30 DGEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)cnn1C(C)(C)C ZINC000901376047 619492010 /nfs/dbraw/zinc/49/20/10/619492010.db2.gz OGDBNQWFJBBJAE-UHFFFAOYSA-N -1 3 305.353 3.117 20 30 DGEDHM O=C(C[C@H]1CCCO1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378124 619492316 /nfs/dbraw/zinc/49/23/16/619492316.db2.gz HYSBCHXSZOKJIY-GFCCVEGCSA-N -1 3 304.173 3.280 20 30 DGEDHM C#CCOc1cccc(Cl)c1CN(CCC(=O)[O-])CC1CC1 ZINC000901609415 619524123 /nfs/dbraw/zinc/52/41/23/619524123.db2.gz CPPHIBFLWBHGGT-UHFFFAOYSA-N -1 3 321.804 3.039 20 30 DGEDHM O=C([C@@H]1C[C@]12CCOC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181829 619889015 /nfs/dbraw/zinc/88/90/15/619889015.db2.gz YQCOJEHHCORSFR-JSGCOSHPSA-N -1 3 316.184 3.138 20 30 DGEDHM Cc1nc(C2CC2)ccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904178035 619893208 /nfs/dbraw/zinc/89/32/08/619893208.db2.gz WVJRRXZVQIPBON-UHFFFAOYSA-N -1 3 300.333 3.438 20 30 DGEDHM CCCCN([O-])C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000904208965 619893876 /nfs/dbraw/zinc/89/38/76/619893876.db2.gz OGCOAWUXFNKENC-UHFFFAOYSA-N -1 3 321.352 3.135 20 30 DGEDHM CCc1nnc(C)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC000904191087 619895121 /nfs/dbraw/zinc/89/51/21/619895121.db2.gz SQIQPZHUNHKVNU-UHFFFAOYSA-N -1 3 305.765 3.032 20 30 DGEDHM CC(C)Cn1cc(C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC000904190621 619895133 /nfs/dbraw/zinc/89/51/33/619895133.db2.gz OCJHECJXQRBJSU-UHFFFAOYSA-N -1 3 307.781 3.224 20 30 DGEDHM C[C@@H]1C(=O)CC[C@H]1CC(=O)N([O-])CCCCc1ccccc1 ZINC000904198105 619896753 /nfs/dbraw/zinc/89/67/53/619896753.db2.gz TWIKRDMXNYPKBH-HOCLYGCPSA-N -1 3 303.402 3.232 20 30 DGEDHM O=C([C@@H]1C[C@H]1C1CCOCC1)N([O-])CCCCc1ccccc1 ZINC000904196344 619896865 /nfs/dbraw/zinc/89/68/65/619896865.db2.gz SQQWVWRHKLWICG-ZWKOTPCHSA-N -1 3 317.429 3.290 20 30 DGEDHM CCCCCCN([O-])C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000904205737 619898696 /nfs/dbraw/zinc/89/86/96/619898696.db2.gz ULBIVXHYSNAIBR-UHFFFAOYSA-N -1 3 310.360 3.059 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/CCc1ccc2c(c1)OCO2 ZINC000026682522 619966821 /nfs/dbraw/zinc/96/68/21/619966821.db2.gz GCKRLMGCDIJZOS-GIJQJNRQSA-N -1 3 303.745 3.436 20 30 DGEDHM C#CCOc1cccc(Cl)c1CN[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000905816088 620033620 /nfs/dbraw/zinc/03/36/20/620033620.db2.gz JMNFSCNGJZREFZ-OLZOCXBDSA-N -1 3 321.804 3.085 20 30 DGEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)C(C)(C)CC2 ZINC000906264639 620081853 /nfs/dbraw/zinc/08/18/53/620081853.db2.gz LCARQCLYLYKZPN-UHFFFAOYSA-N -1 3 301.371 3.392 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2cc(F)ccc2F)c1[O-] ZINC000915112859 620568473 /nfs/dbraw/zinc/56/84/73/620568473.db2.gz IUXWXYIXOBUSEF-PIPHKAODSA-N -1 3 306.312 3.046 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1c(Cl)cccc1Br ZINC000855026950 620864103 /nfs/dbraw/zinc/86/41/03/620864103.db2.gz URDYHLVMUFVJIX-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM C=CCCO[N-]C(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000856034335 620955990 /nfs/dbraw/zinc/95/59/90/620955990.db2.gz LFFPBYGDWDAGSK-GFCCVEGCSA-N -1 3 304.173 3.041 20 30 DGEDHM C=CCC1(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)CCCC1 ZINC000838283582 621231288 /nfs/dbraw/zinc/23/12/88/621231288.db2.gz GGSMGEDGWQGIIJ-UHFFFAOYSA-N -1 3 302.374 3.239 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1cnc(C2CC2)nc1 ZINC000755374995 621569522 /nfs/dbraw/zinc/56/95/22/621569522.db2.gz DEUVOPRRHSGPAA-ZDLGFXPLSA-N -1 3 301.777 3.375 20 30 DGEDHM N#CCc1cccc2c1CCN(Cc1c(F)ccc([O-])c1F)C2 ZINC000862542681 621599719 /nfs/dbraw/zinc/59/97/19/621599719.db2.gz XBVJQVLPOXYXBW-UHFFFAOYSA-N -1 3 314.335 3.295 20 30 DGEDHM CC1(O)CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863125561 621640924 /nfs/dbraw/zinc/64/09/24/621640924.db2.gz ZESVDPGGDZQRJO-UHFFFAOYSA-N -1 3 302.403 3.385 20 30 DGEDHM C#CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000757064418 621684135 /nfs/dbraw/zinc/68/41/35/621684135.db2.gz KOPYTKQYHAIZQV-MRXNPFEDSA-N -1 3 312.344 3.095 20 30 DGEDHM CC(N=Nc1nc2ccccc2c(=O)[n-]1)c1ccc(N(C)C)cc1 ZINC000757588389 621726571 /nfs/dbraw/zinc/72/65/71/621726571.db2.gz CYPXRPOBQFSDSJ-UHFFFAOYSA-N -1 3 321.384 3.238 20 30 DGEDHM CCC(CC)(C/N=C/c1c([O-])c(C)ncc1CO)C(F)(F)F ZINC000864347281 621759414 /nfs/dbraw/zinc/75/94/14/621759414.db2.gz NWJWOCRGLAEDKQ-FBCYGCLPSA-N -1 3 318.339 3.376 20 30 DGEDHM CC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1OC ZINC000864349489 621759946 /nfs/dbraw/zinc/75/99/46/621759946.db2.gz ZKAQRJMLRMVCRK-HSGPEQJXSA-N -1 3 314.385 3.167 20 30 DGEDHM C[C@@H]1C[C@@H]1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000758371432 621777777 /nfs/dbraw/zinc/77/77/77/621777777.db2.gz KGCJHNMWGZGTNN-ZYHUDNBSSA-N -1 3 304.444 3.349 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccnn2CC2CCC2)ccc1[O-] ZINC000865218100 621874146 /nfs/dbraw/zinc/87/41/46/621874146.db2.gz QTGJJUUBYKCVKC-SOFGYWHQSA-N -1 3 312.369 3.294 20 30 DGEDHM CN1CCc2ccc(N=Cc3cc(Cl)ccc3[O-])cc2C1=O ZINC000760213089 621921612 /nfs/dbraw/zinc/92/16/12/621921612.db2.gz ONDCUCNEQYAZAD-UHFFFAOYSA-N -1 3 314.772 3.424 20 30 DGEDHM CC(C)(C)OC(=O)N1CC(C/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000762438459 622075896 /nfs/dbraw/zinc/07/58/96/622075896.db2.gz ZVYOYVJFVIYINW-QGMBQPNBSA-N -1 3 324.808 3.331 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000763098345 622122961 /nfs/dbraw/zinc/12/29/61/622122961.db2.gz WLVDUXRNJOSIAK-KIHYJURLSA-N -1 3 322.836 3.108 20 30 DGEDHM COc1cc(C#N)ccc1CO[N-]C(=O)CCC1CCCCC1 ZINC000766742753 622350571 /nfs/dbraw/zinc/35/05/71/622350571.db2.gz XSVKUXXMQCLXLE-UHFFFAOYSA-N -1 3 316.401 3.475 20 30 DGEDHM Cc1oc2ccccc2c1CC/N=C/c1c([O-])c(C)ncc1CO ZINC000767340025 622391081 /nfs/dbraw/zinc/39/10/81/622391081.db2.gz YNCLYEDQHWURAF-KEBDBYFISA-N -1 3 324.380 3.304 20 30 DGEDHM CC(N=Nc1nc(-c2ccccc2)no1)c1sccc1[O-] ZINC000769782758 622559192 /nfs/dbraw/zinc/55/91/92/622559192.db2.gz WHOJQXDZCPXFNR-UHFFFAOYSA-N -1 3 300.343 3.340 20 30 DGEDHM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)n1 ZINC000769945386 622580510 /nfs/dbraw/zinc/58/05/10/622580510.db2.gz JSKBQRDLLXPTBZ-HNNXBMFYSA-N -1 3 324.384 3.205 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N(C)C)c(F)c2)n1 ZINC000770091566 622600223 /nfs/dbraw/zinc/60/02/23/622600223.db2.gz BWFGEMXMCCFATF-LLVKDONJSA-N -1 3 303.362 3.147 20 30 DGEDHM Cc1c([N-]c2ncc([N+](=O)[O-])cc2C#N)cnn1-c1ccccc1 ZINC000771925933 622817005 /nfs/dbraw/zinc/81/70/05/622817005.db2.gz FANZCTGLMOFGDL-UHFFFAOYSA-N -1 3 320.312 3.099 20 30 DGEDHM CC(=NNc1nccnc1C(C)C)c1cc(F)cc(F)c1[O-] ZINC000773090459 622982150 /nfs/dbraw/zinc/98/21/50/622982150.db2.gz HFZPZVDXCMTHKS-UHFFFAOYSA-N -1 3 306.316 3.420 20 30 DGEDHM COC(=O)N1CCC[C@H]([C@@H](C)/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000773909016 623087125 /nfs/dbraw/zinc/08/71/25/623087125.db2.gz YTBQNHMSWPGFCA-IBFAWRRBSA-N -1 3 324.808 3.331 20 30 DGEDHM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273199 623405395 /nfs/dbraw/zinc/40/53/95/623405395.db2.gz DKFOGBZASLMHEC-MLGOLLRUSA-N -1 3 303.358 3.016 20 30 DGEDHM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273200 623405414 /nfs/dbraw/zinc/40/54/14/623405414.db2.gz DKFOGBZASLMHEC-WBMJQRKESA-N -1 3 303.358 3.016 20 30 DGEDHM Cc1cc(Br)c([O-])c(CN2CCC(C#N)CC2)c1 ZINC000781904556 624169266 /nfs/dbraw/zinc/16/92/66/624169266.db2.gz ICSSTRVFXOFNPN-UHFFFAOYSA-N -1 3 309.207 3.199 20 30 DGEDHM COC(=O)c1ccc(NN=Cc2ccc([O-])c(F)c2)cc1Cl ZINC000782237701 624225255 /nfs/dbraw/zinc/22/52/55/624225255.db2.gz HGAAQMRZWFNFPM-UHFFFAOYSA-N -1 3 322.723 3.417 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2c2cccc(Cl)c2)c1[O-] ZINC000797784203 626168139 /nfs/dbraw/zinc/16/81/39/626168139.db2.gz VKYKMXDREQCUMO-RCPPNLIZSA-N -1 3 316.788 3.216 20 30 DGEDHM CCC(CC)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000798891569 626254642 /nfs/dbraw/zinc/25/46/42/626254642.db2.gz NCFSAEIYRQXRCY-UHFFFAOYSA-N -1 3 304.390 3.188 20 30 DGEDHM Cc1nc(Cl)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000802032400 626429354 /nfs/dbraw/zinc/42/93/54/626429354.db2.gz QWTLCBZWGLMVGM-GFCCVEGCSA-N -1 3 324.771 3.420 20 30 DGEDHM CC(C)CCC(=N[N-]S(=O)(=O)CCc1ccccc1)C1CC1 ZINC000802711262 626567357 /nfs/dbraw/zinc/56/73/57/626567357.db2.gz PURZWUUHPJBWHN-UHFFFAOYSA-N -1 3 322.474 3.351 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CCC2(CCOCC2)CO1 ZINC000887268955 627239348 /nfs/dbraw/zinc/23/93/48/627239348.db2.gz ZAQXVWIMIKMDNS-SMLKNPDNSA-N -1 3 323.820 3.440 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(-c3ccccc3)no2)c1 ZINC000811184212 627254498 /nfs/dbraw/zinc/25/44/98/627254498.db2.gz JELPXVFOFRLBCJ-UHFFFAOYSA-N -1 3 320.304 3.276 20 30 DGEDHM CC(=NN[C@H](C)COc1ccccc1)c1cc(F)ccc1[O-] ZINC000811666169 627303555 /nfs/dbraw/zinc/30/35/55/627303555.db2.gz ZKHIDDRZMICFCI-GFCCVEGCSA-N -1 3 302.349 3.312 20 30 DGEDHM COc1ccc(C=NOC/C=C\Cl)c(Br)c1[O-] ZINC000811670678 627304990 /nfs/dbraw/zinc/30/49/90/627304990.db2.gz YQFHFAPBBBKHIY-SJUYUPISSA-N -1 3 320.570 3.266 20 30 DGEDHM N#CC[C@H](CC(=O)[N-]OCCOc1ccccc1)c1ccccc1 ZINC000889445055 627421543 /nfs/dbraw/zinc/42/15/43/627421543.db2.gz MVSTWMBAGLOFRO-QGZVFWFLSA-N -1 3 324.380 3.201 20 30 DGEDHM C=CCC(C)(C)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000814004020 627529683 /nfs/dbraw/zinc/52/96/83/627529683.db2.gz BHCQHEHJIKIZDH-UHFFFAOYSA-N -1 3 316.401 3.354 20 30 DGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnn(CC(F)F)c1 ZINC000814187368 627548686 /nfs/dbraw/zinc/54/86/86/627548686.db2.gz HSCUJDRYBRDZDK-YXSUAUNDSA-N -1 3 322.286 3.376 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(C(C)C)cc2)c1[O-] ZINC000005111005 627558410 /nfs/dbraw/zinc/55/84/10/627558410.db2.gz CZSWWXFTHHSQCJ-RGVLZGJSSA-N -1 3 312.413 3.373 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccccc3)CCC2)c1[O-] ZINC000011121615 627579325 /nfs/dbraw/zinc/57/93/25/627579325.db2.gz CFKBSKKLLJOMIW-RGVLZGJSSA-N -1 3 310.397 3.129 20 30 DGEDHM N#CCCC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000817318648 627882347 /nfs/dbraw/zinc/88/23/47/627882347.db2.gz FPGJKOYYDHLMIC-OAHLLOKOSA-N -1 3 310.353 3.263 20 30 DGEDHM C#CCCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000817668514 627934051 /nfs/dbraw/zinc/93/40/51/627934051.db2.gz HRZSHKDIYSQRCS-UHFFFAOYSA-N -1 3 309.365 3.077 20 30 DGEDHM C=CCC(CC=C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734526 628184101 /nfs/dbraw/zinc/18/41/01/628184101.db2.gz PTXFJUMLRRBZRG-GFCCVEGCSA-N -1 3 312.373 3.239 20 30 DGEDHM C=CCC(CC=C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734526 628184103 /nfs/dbraw/zinc/18/41/03/628184103.db2.gz PTXFJUMLRRBZRG-GFCCVEGCSA-N -1 3 312.373 3.239 20 30 DGEDHM C=CCC(CC=C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819734206 628184226 /nfs/dbraw/zinc/18/42/26/628184226.db2.gz KBVFARQJPIQICX-LBPRGKRZSA-N -1 3 312.373 3.239 20 30 DGEDHM C=CCC(CC=C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819734206 628184229 /nfs/dbraw/zinc/18/42/29/628184229.db2.gz KBVFARQJPIQICX-LBPRGKRZSA-N -1 3 312.373 3.239 20 30 DGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)CCC2 ZINC000819772322 628188475 /nfs/dbraw/zinc/18/84/75/628188475.db2.gz COSHTCCFMWNECG-UHFFFAOYSA-N -1 3 324.413 3.253 20 30 DGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)CCC2 ZINC000819772322 628188477 /nfs/dbraw/zinc/18/84/77/628188477.db2.gz COSHTCCFMWNECG-UHFFFAOYSA-N -1 3 324.413 3.253 20 30 DGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1 ZINC000819773524 628188632 /nfs/dbraw/zinc/18/86/32/628188632.db2.gz SSVJNBWFDYLBHF-GFCCVEGCSA-N -1 3 306.373 3.458 20 30 DGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC000819773524 628188634 /nfs/dbraw/zinc/18/86/34/628188634.db2.gz SSVJNBWFDYLBHF-GFCCVEGCSA-N -1 3 306.373 3.458 20 30 DGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])C(F)=C1CCC1 ZINC000819946140 628202504 /nfs/dbraw/zinc/20/25/04/628202504.db2.gz YUFFPOGDEFCJQZ-LBPRGKRZSA-N -1 3 316.332 3.140 20 30 DGEDHM N#CCOc1cccc(CC(=O)Nc2c([O-])cccc2Cl)c1 ZINC000820509602 628267389 /nfs/dbraw/zinc/26/73/89/628267389.db2.gz HLSYIPXFTWUCPV-UHFFFAOYSA-N -1 3 316.744 3.129 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820577023 628273686 /nfs/dbraw/zinc/27/36/86/628273686.db2.gz GXAKVUJLZXFPKP-ZSOIEALJSA-N -1 3 322.393 3.486 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820577023 628273689 /nfs/dbraw/zinc/27/36/89/628273689.db2.gz GXAKVUJLZXFPKP-ZSOIEALJSA-N -1 3 322.393 3.486 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820577783 628273813 /nfs/dbraw/zinc/27/38/13/628273813.db2.gz VBWIMBHGJFBTPP-LCYFTJDESA-N -1 3 322.393 3.486 20 30 DGEDHM CC1(C)CCCC(=Cc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000820589507 628275449 /nfs/dbraw/zinc/27/54/49/628275449.db2.gz GNPFELZPPABKPG-FLIBITNWSA-N -1 3 300.337 3.168 20 30 DGEDHM CC1(C)CCCC(=Cc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000820589507 628275453 /nfs/dbraw/zinc/27/54/53/628275453.db2.gz GNPFELZPPABKPG-FLIBITNWSA-N -1 3 300.337 3.168 20 30 DGEDHM CCOc1cc(/C=C/C(=O)c2cc(OC)no2)cc(Cl)c1[O-] ZINC000821021821 628327315 /nfs/dbraw/zinc/32/73/15/628327315.db2.gz LFADXLXXJZLMNK-SNAWJCMRSA-N -1 3 323.732 3.337 20 30 DGEDHM CCCCCCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821048652 628331500 /nfs/dbraw/zinc/33/15/00/628331500.db2.gz FCSLCTITSSVKIN-CYBMUJFWSA-N -1 3 315.421 3.404 20 30 DGEDHM CCCCCCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821048652 628331506 /nfs/dbraw/zinc/33/15/06/628331506.db2.gz FCSLCTITSSVKIN-CYBMUJFWSA-N -1 3 315.421 3.404 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC000822275890 628435344 /nfs/dbraw/zinc/43/53/44/628435344.db2.gz ZHEIUFQWSDRXCU-DHZHZOJOSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822299787 628437830 /nfs/dbraw/zinc/43/78/30/628437830.db2.gz VCHRBIVRBKNYHT-GDNBJRDFSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822299787 628437832 /nfs/dbraw/zinc/43/78/32/628437832.db2.gz VCHRBIVRBKNYHT-GDNBJRDFSA-N -1 3 316.364 3.388 20 30 DGEDHM Fc1ccc(C#CCSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822766350 628491935 /nfs/dbraw/zinc/49/19/35/628491935.db2.gz HYMDXGRCZSRELG-UHFFFAOYSA-N -1 3 310.357 3.150 20 30 DGEDHM Fc1ccc(C#CCSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822766350 628491939 /nfs/dbraw/zinc/49/19/39/628491939.db2.gz HYMDXGRCZSRELG-UHFFFAOYSA-N -1 3 310.357 3.150 20 30 DGEDHM N#Cc1c(F)cccc1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000822819308 628498550 /nfs/dbraw/zinc/49/85/50/628498550.db2.gz OQBXPSRVQWUCRT-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1c(F)cccc1Sc1ccc(-c2nn[n-]n2)cc1F ZINC000822819308 628498554 /nfs/dbraw/zinc/49/85/54/628498554.db2.gz OQBXPSRVQWUCRT-UHFFFAOYSA-N -1 3 315.308 3.168 20 30 DGEDHM N#Cc1cccc(SCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822837194 628500576 /nfs/dbraw/zinc/50/05/76/628500576.db2.gz IZHUTUQPHYXNQU-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(SCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000822837194 628500577 /nfs/dbraw/zinc/50/05/77/628500577.db2.gz IZHUTUQPHYXNQU-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(Cl)c1 ZINC000822922731 628509309 /nfs/dbraw/zinc/50/93/09/628509309.db2.gz IPTYTTFGAMGINA-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(Cl)c1 ZINC000822922731 628509310 /nfs/dbraw/zinc/50/93/10/628509310.db2.gz IPTYTTFGAMGINA-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)CCC2 ZINC000822929289 628509947 /nfs/dbraw/zinc/50/99/47/628509947.db2.gz RUYBYNZDQNIRTR-BQYQJAHWSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)CCC2 ZINC000822929289 628509950 /nfs/dbraw/zinc/50/99/50/628509950.db2.gz RUYBYNZDQNIRTR-BQYQJAHWSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000822935439 628510628 /nfs/dbraw/zinc/51/06/28/628510628.db2.gz LBXLXNFPSWKUAF-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000822935439 628510632 /nfs/dbraw/zinc/51/06/32/628510632.db2.gz LBXLXNFPSWKUAF-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C1C(=Cc2ccccc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503550 628570197 /nfs/dbraw/zinc/57/01/97/628570197.db2.gz GVTFYTGQTDGIQZ-GXDHUFHOSA-N -1 3 302.337 3.079 20 30 DGEDHM O=C1C(=Cc2ccccc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503550 628570200 /nfs/dbraw/zinc/57/02/00/628570200.db2.gz GVTFYTGQTDGIQZ-GXDHUFHOSA-N -1 3 302.337 3.079 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823503122 628570234 /nfs/dbraw/zinc/57/02/34/628570234.db2.gz BRRJOIRXBURBGK-JYRVWZFOSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000823503122 628570237 /nfs/dbraw/zinc/57/02/37/628570237.db2.gz BRRJOIRXBURBGK-JYRVWZFOSA-N -1 3 320.327 3.218 20 30 DGEDHM C#CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC000823838268 628601318 /nfs/dbraw/zinc/60/13/18/628601318.db2.gz NECFDCFCIUNAQQ-CQSZACIVSA-N -1 3 307.332 3.182 20 30 DGEDHM C#CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC000823838268 628601321 /nfs/dbraw/zinc/60/13/21/628601321.db2.gz NECFDCFCIUNAQQ-CQSZACIVSA-N -1 3 307.332 3.182 20 30 DGEDHM C=C[C@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823883552 628606667 /nfs/dbraw/zinc/60/66/67/628606667.db2.gz TXXSOVNVQUNRRH-CYBMUJFWSA-N -1 3 319.368 3.165 20 30 DGEDHM C=C[C@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883552 628606670 /nfs/dbraw/zinc/60/66/70/628606670.db2.gz TXXSOVNVQUNRRH-CYBMUJFWSA-N -1 3 319.368 3.165 20 30 DGEDHM CC(C)C[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000824204450 628636949 /nfs/dbraw/zinc/63/69/49/628636949.db2.gz RIZOHTUXHDLFBY-MNOVXSKESA-N -1 3 323.418 3.125 20 30 DGEDHM CC(CC1CCC1)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824394197 628657582 /nfs/dbraw/zinc/65/75/82/628657582.db2.gz WFTTVYFPOWPXIA-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM CC(CC1CCC1)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824394197 628657585 /nfs/dbraw/zinc/65/75/85/628657585.db2.gz WFTTVYFPOWPXIA-UHFFFAOYSA-N -1 3 304.785 3.498 20 30 DGEDHM CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCCC1 ZINC000824817031 628697655 /nfs/dbraw/zinc/69/76/55/628697655.db2.gz KCIKEDDKTNRMPN-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCCC1 ZINC000824817031 628697656 /nfs/dbraw/zinc/69/76/56/628697656.db2.gz KCIKEDDKTNRMPN-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM C[C@H]1CCC[C@@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824925190 628707203 /nfs/dbraw/zinc/70/72/03/628707203.db2.gz BLSKOUOWQLVTKU-VHSXEESVSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CCC[C@@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824925190 628707206 /nfs/dbraw/zinc/70/72/06/628707206.db2.gz BLSKOUOWQLVTKU-VHSXEESVSA-N -1 3 319.800 3.139 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000825704086 628787825 /nfs/dbraw/zinc/78/78/25/628787825.db2.gz CQNSTQYBNQLLCB-VQHVLOKHSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000825704086 628787827 /nfs/dbraw/zinc/78/78/27/628787827.db2.gz CQNSTQYBNQLLCB-VQHVLOKHSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825704478 628788153 /nfs/dbraw/zinc/78/81/53/628788153.db2.gz JNTOPYAVIKZZKV-JXMROGBWSA-N -1 3 322.343 3.464 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825704478 628788156 /nfs/dbraw/zinc/78/81/56/628788156.db2.gz JNTOPYAVIKZZKV-JXMROGBWSA-N -1 3 322.343 3.464 20 30 DGEDHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000826051492 628823460 /nfs/dbraw/zinc/82/34/60/628823460.db2.gz CLKIULGSTJVEOC-PXAZEXFGSA-N -1 3 312.344 3.249 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826289274 628839973 /nfs/dbraw/zinc/83/99/73/628839973.db2.gz TUFJTBDZEHKADH-UTCJRWHESA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826316748 628844921 /nfs/dbraw/zinc/84/49/21/628844921.db2.gz XPFJEASFDQMFCQ-SNAWJCMRSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826316748 628844925 /nfs/dbraw/zinc/84/49/25/628844925.db2.gz XPFJEASFDQMFCQ-SNAWJCMRSA-N -1 3 314.345 3.272 20 30 DGEDHM Clc1cc(NN=C2CCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000826351487 628845427 /nfs/dbraw/zinc/84/54/27/628845427.db2.gz OLQCMIAJZCZGKW-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM Clc1cc(NN=C2CCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000826351487 628845430 /nfs/dbraw/zinc/84/54/30/628845430.db2.gz OLQCMIAJZCZGKW-UHFFFAOYSA-N -1 3 324.775 3.283 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)c(F)c1 ZINC000826401577 628851331 /nfs/dbraw/zinc/85/13/31/628851331.db2.gz BQDZYBZBBXLSLR-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826401577 628851334 /nfs/dbraw/zinc/85/13/34/628851334.db2.gz BQDZYBZBBXLSLR-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc2c(s1)CCC2 ZINC000826401831 628851884 /nfs/dbraw/zinc/85/18/84/628851884.db2.gz HSSCSRYNRYDEFQ-HJWRWDBZSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc2c(s1)CCC2 ZINC000826401831 628851886 /nfs/dbraw/zinc/85/18/86/628851886.db2.gz HSSCSRYNRYDEFQ-HJWRWDBZSA-N -1 3 322.393 3.313 20 30 DGEDHM Cc1cc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000832871667 629524564 /nfs/dbraw/zinc/52/45/64/629524564.db2.gz VGXYQGQNZFRHRN-YVEFUNNKSA-N -1 3 312.344 3.482 20 30 DGEDHM C#CCCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000833364754 629592421 /nfs/dbraw/zinc/59/24/21/629592421.db2.gz CTIKXXGQXIQMGT-UHFFFAOYSA-N -1 3 323.392 3.419 20 30 DGEDHM CCS[C@@H]1CC[C@H](N(C)Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833667865 629638554 /nfs/dbraw/zinc/63/85/54/629638554.db2.gz NAVBRFHGRJEKMQ-UONOGXRCSA-N -1 3 318.442 3.362 20 30 DGEDHM C=CCCc1ccccc1NC([O-])=NOC(C)(C)C(=O)OCC ZINC000836598643 630139393 /nfs/dbraw/zinc/13/93/93/630139393.db2.gz CQNIGSGHBBNEFK-UHFFFAOYSA-N -1 3 320.389 3.200 20 30 DGEDHM C=CCCc1ccccc1NC(=O)[N-]OC(C)(C)C(=O)OCC ZINC000836598643 630139395 /nfs/dbraw/zinc/13/93/95/630139395.db2.gz CQNIGSGHBBNEFK-UHFFFAOYSA-N -1 3 320.389 3.200 20 30 DGEDHM Cc1cc([O-])c(C=NN2C(=S)N=NC2C(C)C)c(Cl)c1 ZINC000841610300 630447934 /nfs/dbraw/zinc/44/79/34/630447934.db2.gz KYLPCUVMXLONFD-UHFFFAOYSA-N -1 3 310.810 3.240 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1ccc(C)cc1Br ZINC000846535169 631256229 /nfs/dbraw/zinc/25/62/29/631256229.db2.gz RPHZFKVGIQTPBY-UHFFFAOYSA-N -1 3 312.207 3.314 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCOc1ccc(Cl)cc1Cl ZINC000846538779 631257211 /nfs/dbraw/zinc/25/72/11/631257211.db2.gz UNUIOFAMBRMQMP-UHFFFAOYSA-N -1 3 304.173 3.386 20 30 DGEDHM CC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1F ZINC000846756821 631296496 /nfs/dbraw/zinc/29/64/96/631296496.db2.gz MKOAVBDUYZGUKD-UGNSCYDZSA-N -1 3 302.349 3.297 20 30 DGEDHM CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1ccccc1OC(C)C ZINC000846937143 631359455 /nfs/dbraw/zinc/35/94/55/631359455.db2.gz HPKNEZMYWWTRFM-GFCCVEGCSA-N -1 3 310.344 3.374 20 30 DGEDHM CC[C@H](Cc1ccc(F)cc1)/N=C\c1c([O-])c(C)ncc1CO ZINC000849170623 631852689 /nfs/dbraw/zinc/85/26/89/631852689.db2.gz RNKZSKUZLPLEEC-LIQPLZLLSA-N -1 3 316.376 3.167 20 30 DGEDHM COC(=O)c1cc(NN=C(C)c2cc(F)ccc2[O-])ccc1C ZINC000793089188 661004354 /nfs/dbraw/zinc/00/43/54/661004354.db2.gz FSLOJQFXRWLXMU-UHFFFAOYSA-N -1 3 316.332 3.462 20 30 DGEDHM C[C@@H]1COCC[C@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000794675370 661097479 /nfs/dbraw/zinc/09/74/79/661097479.db2.gz ACXHXPPARYKXOJ-CXDCIMDLSA-N -1 3 312.207 3.246 20 30 DGEDHM N#CCOc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794935293 661114867 /nfs/dbraw/zinc/11/48/67/661114867.db2.gz XMZVNKCIVQKWNB-FNORWQNLSA-N -1 3 315.275 3.469 20 30 DGEDHM CCn1nc(C)c(C(=O)/C=C\c2c(F)ccc([O-])c2F)c1C ZINC000794935431 661114878 /nfs/dbraw/zinc/11/48/78/661114878.db2.gz RHJYMODHTMFKIP-ALCCZGGFSA-N -1 3 306.312 3.400 20 30 DGEDHM COc1cc(/C=C2\CCc3nn(C)cc3C2=O)cc(Cl)c1[O-] ZINC000794960482 661116992 /nfs/dbraw/zinc/11/69/92/661116992.db2.gz SYAJHDBMLILFCV-BJMVGYQFSA-N -1 3 318.760 3.000 20 30 DGEDHM CCOc1cc(CN=Nc2ncccc2F)cc(Cl)c1[O-] ZINC000794980218 661118625 /nfs/dbraw/zinc/11/86/25/661118625.db2.gz HFSVWPHPAZMNNL-UHFFFAOYSA-N -1 3 309.728 3.424 20 30 DGEDHM Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1-n1cnnn1 ZINC000255293843 655687939 /nfs/dbraw/zinc/68/79/39/655687939.db2.gz ZIUONHIXYWGQKI-UHFFFAOYSA-N -1 3 313.748 3.080 20 30 DGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000255331413 655701600 /nfs/dbraw/zinc/70/16/00/655701600.db2.gz LYYBBCMEJAEAEK-WHLNPGIBSA-N -1 3 324.359 3.033 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cnc3ccc(C)cn23)ccc1[O-] ZINC000255344667 655703925 /nfs/dbraw/zinc/70/39/25/655703925.db2.gz HSPKAERIIRMILV-ALCCZGGFSA-N -1 3 308.337 3.253 20 30 DGEDHM CCOC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)o1 ZINC000176855544 655855853 /nfs/dbraw/zinc/85/58/53/655855853.db2.gz WIPKTINWODXUMR-VMPITWQZSA-N -1 3 316.309 3.067 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cccc(F)c2)c(OC)cc1[O-] ZINC000255600973 655861980 /nfs/dbraw/zinc/86/19/80/655861980.db2.gz YWULLQYFHBUAOV-SREVYHEPSA-N -1 3 302.301 3.445 20 30 DGEDHM COc1cc(/C=C\C(=O)c2c(C)nn(C)c2C)cc(Cl)c1[O-] ZINC000255619743 655877285 /nfs/dbraw/zinc/87/72/85/655877285.db2.gz AGMUTKCDJXOFPN-WAYWQWQTSA-N -1 3 320.776 3.301 20 30 DGEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c1 ZINC000177598507 655933777 /nfs/dbraw/zinc/93/37/77/655933777.db2.gz PNEBRIMSKJSXKB-ZDUSSCGKSA-N -1 3 314.366 3.026 20 30 DGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cc(F)ccc1F ZINC000811186828 661231314 /nfs/dbraw/zinc/23/13/14/661231314.db2.gz AAEXUHTWBRINNI-VIFPVBQESA-N -1 3 303.264 3.460 20 30 DGEDHM CC(C)(C)c1nc(COC(=O)c2cc([O-])cc(C#N)c2)cs1 ZINC000811187628 661231384 /nfs/dbraw/zinc/23/13/84/661231384.db2.gz KHXVVUQOBMVVII-UHFFFAOYSA-N -1 3 316.382 3.375 20 30 DGEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1ccco1 ZINC000128660903 658771413 /nfs/dbraw/zinc/77/14/13/658771413.db2.gz HNFKRZDHVUFQEK-CQSZACIVSA-N -1 3 304.305 3.394 20 30 DGEDHM CC(C)(C)C[C@H](O)C/N=C/c1cc(Br)ccc1[O-] ZINC000172156784 659320363 /nfs/dbraw/zinc/32/03/63/659320363.db2.gz ZAZOBKASGYSFQC-WIJRQFRKSA-N -1 3 314.223 3.371 20 30 DGEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000233294928 659917266 /nfs/dbraw/zinc/91/72/66/659917266.db2.gz ZMVWUZPYEUCFGW-JTQLQIEISA-N -1 3 306.214 3.074 20 30 DGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(Cl)cc(C#N)c2)n1 ZINC000930661311 661419648 /nfs/dbraw/zinc/41/96/48/661419648.db2.gz HRCVZJSJANVJPU-UHFFFAOYSA-N -1 3 316.792 3.041 20 30 DGEDHM COc1cc(C#N)ccc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000935430207 661785326 /nfs/dbraw/zinc/78/53/26/661785326.db2.gz PUGFVRZBYCXEQH-LBPRGKRZSA-N -1 3 322.364 3.426 20 30 DGEDHM C#CC[C@H](Nc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001588334079 1192445194 /nfs/dbraw/zinc/44/51/94/1192445194.db2.gz NMLSSQNDAYYDIV-HNNXBMFYSA-N -1 3 307.332 3.182 20 30 DGEDHM C#CC[C@H](Nc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001588334079 1192445196 /nfs/dbraw/zinc/44/51/96/1192445196.db2.gz NMLSSQNDAYYDIV-HNNXBMFYSA-N -1 3 307.332 3.182 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588402488 1192446265 /nfs/dbraw/zinc/44/62/65/1192446265.db2.gz HGTOWSVSTJDBEK-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588402488 1192446266 /nfs/dbraw/zinc/44/62/66/1192446266.db2.gz HGTOWSVSTJDBEK-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588456779 1192448023 /nfs/dbraw/zinc/44/80/23/1192448023.db2.gz VLNSNRVROLAWHT-PHIMTYICSA-N -1 3 301.781 3.208 20 30 DGEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588456779 1192448025 /nfs/dbraw/zinc/44/80/25/1192448025.db2.gz VLNSNRVROLAWHT-PHIMTYICSA-N -1 3 301.781 3.208 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)c1cc(-c2nnn[n-]2)cc(C)n1 ZINC001588426340 1192447826 /nfs/dbraw/zinc/44/78/26/1192447826.db2.gz TVXMFIXOJBOLTH-UHFFFAOYSA-N -1 3 320.400 3.153 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)c1cc(-c2nn[n-]n2)cc(C)n1 ZINC001588426340 1192447828 /nfs/dbraw/zinc/44/78/28/1192447828.db2.gz TVXMFIXOJBOLTH-UHFFFAOYSA-N -1 3 320.400 3.153 20 30 DGEDHM C=CC1(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001588527674 1192448497 /nfs/dbraw/zinc/44/84/97/1192448497.db2.gz STVZZTYWFOWEEI-UHFFFAOYSA-N -1 3 312.373 3.299 20 30 DGEDHM C=CC1(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001588527674 1192448501 /nfs/dbraw/zinc/44/85/01/1192448501.db2.gz STVZZTYWFOWEEI-UHFFFAOYSA-N -1 3 312.373 3.299 20 30 DGEDHM C=CCCC[C@H](C)Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001588593462 1192451040 /nfs/dbraw/zinc/45/10/40/1192451040.db2.gz CFEYJMCTIJYZJF-VIFPVBQESA-N -1 3 306.801 3.380 20 30 DGEDHM C=CCCC[C@H](C)Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001588593462 1192451042 /nfs/dbraw/zinc/45/10/42/1192451042.db2.gz CFEYJMCTIJYZJF-VIFPVBQESA-N -1 3 306.801 3.380 20 30 DGEDHM CC(C)(C#N)CCCOc1c(Cl)cc(F)cc1-c1nnn[n-]1 ZINC001589033279 1192456012 /nfs/dbraw/zinc/45/60/12/1192456012.db2.gz DNRMHEVOWFLWHR-UHFFFAOYSA-N -1 3 323.759 3.368 20 30 DGEDHM CC(C)(C#N)CCCOc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001589033279 1192456015 /nfs/dbraw/zinc/45/60/15/1192456015.db2.gz DNRMHEVOWFLWHR-UHFFFAOYSA-N -1 3 323.759 3.368 20 30 DGEDHM CC1(C)CCC(CNc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001590090615 1192487955 /nfs/dbraw/zinc/48/79/55/1192487955.db2.gz MEGAQFMFZYNHJZ-UHFFFAOYSA-N -1 3 310.405 3.367 20 30 DGEDHM CC1(C)CCC(CNc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001590090615 1192487948 /nfs/dbraw/zinc/48/79/48/1192487948.db2.gz MEGAQFMFZYNHJZ-UHFFFAOYSA-N -1 3 310.405 3.367 20 30 DGEDHM CC1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001590181476 1192493118 /nfs/dbraw/zinc/49/31/18/1192493118.db2.gz QFUSCGYOOJZZLD-UHFFFAOYSA-N -1 3 310.283 3.083 20 30 DGEDHM CC1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001590181476 1192493120 /nfs/dbraw/zinc/49/31/20/1192493120.db2.gz QFUSCGYOOJZZLD-UHFFFAOYSA-N -1 3 310.283 3.083 20 30 DGEDHM CCC(CCC(F)(F)F)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001590436081 1192509120 /nfs/dbraw/zinc/50/91/20/1192509120.db2.gz CACAZEQBIWBYLF-UHFFFAOYSA-N -1 3 312.299 3.387 20 30 DGEDHM CCC(CCC(F)(F)F)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001590436081 1192509122 /nfs/dbraw/zinc/50/91/22/1192509122.db2.gz CACAZEQBIWBYLF-UHFFFAOYSA-N -1 3 312.299 3.387 20 30 DGEDHM CCCCCCCn1nnc(-c2ccccc2)c1-c1nnn[n-]1 ZINC001590594422 1192530057 /nfs/dbraw/zinc/53/00/57/1192530057.db2.gz KPNRHNQWBJTJFT-UHFFFAOYSA-N -1 3 311.393 3.096 20 30 DGEDHM CCc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1C ZINC001590876603 1192551325 /nfs/dbraw/zinc/55/13/25/1192551325.db2.gz KZZPOJJMOGIWSO-UHFFFAOYSA-N -1 3 319.368 3.188 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)s1 ZINC001590888058 1192553986 /nfs/dbraw/zinc/55/39/86/1192553986.db2.gz FLQVYTMRYVFMKD-KTKRTIGZSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)s1 ZINC001590888058 1192553987 /nfs/dbraw/zinc/55/39/87/1192553987.db2.gz FLQVYTMRYVFMKD-KTKRTIGZSA-N -1 3 310.382 3.387 20 30 DGEDHM CO[C@@H](c1ccccc1)C(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001591314195 1192561586 /nfs/dbraw/zinc/56/15/86/1192561586.db2.gz IKPHDENKXIFQIT-MRXNPFEDSA-N -1 3 322.372 3.042 20 30 DGEDHM CO[C@@H](c1ccccc1)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001591314195 1192561589 /nfs/dbraw/zinc/56/15/89/1192561589.db2.gz IKPHDENKXIFQIT-MRXNPFEDSA-N -1 3 322.372 3.042 20 30 DGEDHM Cc1ccc([C@@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001592135309 1192595116 /nfs/dbraw/zinc/59/51/16/1192595116.db2.gz SBYULEDFOVUXCW-ZDUSSCGKSA-N -1 3 318.384 3.262 20 30 DGEDHM Cc1ccc([C@@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001592135309 1192595118 /nfs/dbraw/zinc/59/51/18/1192595118.db2.gz SBYULEDFOVUXCW-ZDUSSCGKSA-N -1 3 318.384 3.262 20 30 DGEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC001592143504 1192595742 /nfs/dbraw/zinc/59/57/42/1192595742.db2.gz FCKCXCSRFPHTQT-CMDGGOBGSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC001592143504 1192595746 /nfs/dbraw/zinc/59/57/46/1192595746.db2.gz FCKCXCSRFPHTQT-CMDGGOBGSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)c(C)c1)C2 ZINC001592204118 1192601497 /nfs/dbraw/zinc/60/14/97/1192601497.db2.gz IQDICRWDTHYYQR-OQLLNIDSSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)c(C)c1)C2 ZINC001592204118 1192601499 /nfs/dbraw/zinc/60/14/99/1192601499.db2.gz IQDICRWDTHYYQR-OQLLNIDSSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cccc(C#N)c1SCc1ccc(-c2nnn[n-]2)cc1 ZINC001592217613 1192602576 /nfs/dbraw/zinc/60/25/76/1192602576.db2.gz DMIBXNNJSXMKCL-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(C#N)c1SCc1ccc(-c2nn[n-]n2)cc1 ZINC001592217613 1192602587 /nfs/dbraw/zinc/60/25/87/1192602587.db2.gz DMIBXNNJSXMKCL-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(-c2nnn[n-]2)c1SCc1ccc(C#N)cc1 ZINC001592215542 1192602869 /nfs/dbraw/zinc/60/28/69/1192602869.db2.gz XMJXTNZVUIWNNU-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(-c2nn[n-]n2)c1SCc1ccc(C#N)cc1 ZINC001592215542 1192602873 /nfs/dbraw/zinc/60/28/73/1192602873.db2.gz XMJXTNZVUIWNNU-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)c1 ZINC001592216108 1192603024 /nfs/dbraw/zinc/60/30/24/1192603024.db2.gz HPCYPMHIJIDACB-VQHVLOKHSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)c1 ZINC001592216108 1192603028 /nfs/dbraw/zinc/60/30/28/1192603028.db2.gz HPCYPMHIJIDACB-VQHVLOKHSA-N -1 3 304.353 3.380 20 30 DGEDHM Clc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592527620 1192613022 /nfs/dbraw/zinc/61/30/22/1192613022.db2.gz BXYJKXORGSKDMT-UHFFFAOYSA-N -1 3 313.748 3.071 20 30 DGEDHM Clc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592527620 1192613025 /nfs/dbraw/zinc/61/30/25/1192613025.db2.gz BXYJKXORGSKDMT-UHFFFAOYSA-N -1 3 313.748 3.071 20 30 DGEDHM N#Cc1ccc(CSc2c(Cl)cccc2-c2nnn[n-]2)o1 ZINC001592694095 1192625613 /nfs/dbraw/zinc/62/56/13/1192625613.db2.gz JNBLCXLLPNSSGT-UHFFFAOYSA-N -1 3 317.761 3.277 20 30 DGEDHM N#Cc1ccc(CSc2c(Cl)cccc2-c2nn[n-]n2)o1 ZINC001592694095 1192625616 /nfs/dbraw/zinc/62/56/16/1192625616.db2.gz JNBLCXLLPNSSGT-UHFFFAOYSA-N -1 3 317.761 3.277 20 30 DGEDHM N#CCCc1ccc(Nc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC001592677621 1192625885 /nfs/dbraw/zinc/62/58/85/1192625885.db2.gz CYMLUGFFKYQFRW-UHFFFAOYSA-N -1 3 308.320 3.206 20 30 DGEDHM N#CCCc1ccc(Nc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC001592677621 1192625888 /nfs/dbraw/zinc/62/58/88/1192625888.db2.gz CYMLUGFFKYQFRW-UHFFFAOYSA-N -1 3 308.320 3.206 20 30 DGEDHM N#CC[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001592681934 1192626112 /nfs/dbraw/zinc/62/61/12/1192626112.db2.gz MCGSPXPRRQEFLL-ONGXEEELSA-N -1 3 302.769 3.014 20 30 DGEDHM N#CC1CCC(Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CC1 ZINC001592672675 1192626511 /nfs/dbraw/zinc/62/65/11/1192626511.db2.gz MHBRQXJLMROCOV-UHFFFAOYSA-N -1 3 308.389 3.238 20 30 DGEDHM N#CC1CCC(Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CC1 ZINC001592672675 1192626512 /nfs/dbraw/zinc/62/65/12/1192626512.db2.gz MHBRQXJLMROCOV-UHFFFAOYSA-N -1 3 308.389 3.238 20 30 DGEDHM O=C(C=Cc1ccc(Cl)s1)c1ccccc1-c1nnn[n-]1 ZINC001592793103 1192627616 /nfs/dbraw/zinc/62/76/16/1192627616.db2.gz ZIPSOSQLBDANLY-FNORWQNLSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccc(Cl)s1)c1ccccc1-c1nn[n-]n1 ZINC001592793103 1192627619 /nfs/dbraw/zinc/62/76/19/1192627619.db2.gz ZIPSOSQLBDANLY-FNORWQNLSA-N -1 3 316.773 3.478 20 30 DGEDHM Cc1cc2cc(CN[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2[nH]1 ZINC001600308626 1192829429 /nfs/dbraw/zinc/82/94/29/1192829429.db2.gz JZYKOEDHNROVRW-GOSISDBHSA-N -1 3 319.364 3.264 20 30 DGEDHM Cc1cc(C(=O)C=Cc2c[nH]nc2C(C)(C)C)cc(O)c1[O-] ZINC001331925676 1178310898 /nfs/dbraw/zinc/31/08/98/1178310898.db2.gz XKNDZDQXKCZZGC-AATRIKPKSA-N -1 3 300.358 3.323 20 30 DGEDHM COC(=O)[C@H]1CCC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC001331974862 1178324894 /nfs/dbraw/zinc/32/48/94/1178324894.db2.gz COUWPOORALKLOT-VIFPVBQESA-N -1 3 316.386 3.033 20 30 DGEDHM O=C(c1ncoc1[C@@H]1CCCO1)N([O-])Cc1ccccc1Cl ZINC001334071492 1178716028 /nfs/dbraw/zinc/71/60/28/1178716028.db2.gz NWFOAJYBOIVMBM-LBPRGKRZSA-N -1 3 322.748 3.211 20 30 DGEDHM N#CC1(c2ccccc2)CC(NCc2ccc(CC(=O)[O-])cc2)C1 ZINC001601058768 1192914933 /nfs/dbraw/zinc/91/49/33/1192914933.db2.gz RNNOJEDYXYNUBN-UHFFFAOYSA-N -1 3 320.392 3.027 20 30 DGEDHM N#Cc1ccc(C2CCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC001601098232 1192918915 /nfs/dbraw/zinc/91/89/15/1192918915.db2.gz KLWFOLNQYPSLQL-UHFFFAOYSA-N -1 3 310.353 3.229 20 30 DGEDHM N#CC(=C([O-])c1cnc2c(F)cccc2c1)c1cccc(F)n1 ZINC001342610520 1179160464 /nfs/dbraw/zinc/16/04/64/1179160464.db2.gz MYXIBVPHQJKDHN-LBPRGKRZSA-N -1 3 309.275 3.398 20 30 DGEDHM N#CC(=C([O-])C=CSCc1ccco1)c1cccc(F)n1 ZINC001342644707 1179165688 /nfs/dbraw/zinc/16/56/88/1179165688.db2.gz YGXFKHGCCNXAQT-WMADIVHISA-N -1 3 302.330 3.437 20 30 DGEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)nc1)c1cccc(F)n1 ZINC001343313244 1179254195 /nfs/dbraw/zinc/25/41/95/1179254195.db2.gz XXTXEDRFYMGPQY-VIFPVBQESA-N -1 3 309.222 3.125 20 30 DGEDHM Cc1nnc(-c2ccc(C([O-])=C(C#N)c3cccc(F)n3)cc2)o1 ZINC001344023972 1179366832 /nfs/dbraw/zinc/36/68/32/1179366832.db2.gz TZVWYJOSADVDCE-CYBMUJFWSA-N -1 3 322.299 3.069 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1c(F)cc(OC)cc1Cl ZINC001344864831 1179488885 /nfs/dbraw/zinc/48/88/85/1179488885.db2.gz VXVSBODMTCUCDC-SNVBAGLBSA-N -1 3 321.739 3.194 20 30 DGEDHM Cc1nn(CCC#N)c(C)c1OC(=O)c1cc2ccsc2[n-]1 ZINC001346720160 1179738793 /nfs/dbraw/zinc/73/87/93/1179738793.db2.gz MBKADNBBLJIVPP-UHFFFAOYSA-N -1 3 314.370 3.176 20 30 DGEDHM C=CCCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC001602839904 1192999183 /nfs/dbraw/zinc/99/91/83/1192999183.db2.gz LFZFLMKTHFKRRM-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=CCCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC001602839904 1192999185 /nfs/dbraw/zinc/99/91/85/1192999185.db2.gz LFZFLMKTHFKRRM-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=C(CNc1cc(C)cc(F)c1-c1nnn[n-]1)c1ccccc1 ZINC001602767753 1192996893 /nfs/dbraw/zinc/99/68/93/1192996893.db2.gz MNPTVRQMDLLAQJ-UHFFFAOYSA-N -1 3 309.348 3.440 20 30 DGEDHM C=C(CNc1cc(C)cc(F)c1-c1nn[n-]n1)c1ccccc1 ZINC001602767753 1192996895 /nfs/dbraw/zinc/99/68/95/1192996895.db2.gz MNPTVRQMDLLAQJ-UHFFFAOYSA-N -1 3 309.348 3.440 20 30 DGEDHM C=C[C@H](CC)CC(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602801412 1192997863 /nfs/dbraw/zinc/99/78/63/1192997863.db2.gz SSYOHQFEPTXRCC-SNVBAGLBSA-N -1 3 319.796 3.085 20 30 DGEDHM C=C[C@H](CC)CC(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602801412 1192997867 /nfs/dbraw/zinc/99/78/67/1192997867.db2.gz SSYOHQFEPTXRCC-SNVBAGLBSA-N -1 3 319.796 3.085 20 30 DGEDHM C=CC[C@H](C)Sc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001602810998 1192998296 /nfs/dbraw/zinc/99/82/96/1192998296.db2.gz CGOGTUAUGNKLKN-JTQLQIEISA-N -1 3 301.419 3.197 20 30 DGEDHM C=CC[C@H](C)Sc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001602810998 1192998298 /nfs/dbraw/zinc/99/82/98/1192998298.db2.gz CGOGTUAUGNKLKN-JTQLQIEISA-N -1 3 301.419 3.197 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC001602818059 1192998533 /nfs/dbraw/zinc/99/85/33/1192998533.db2.gz ADHBTHATZHIIHM-UHFFFAOYSA-N -1 3 315.352 3.081 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC001602818059 1192998535 /nfs/dbraw/zinc/99/85/35/1192998535.db2.gz ADHBTHATZHIIHM-UHFFFAOYSA-N -1 3 315.352 3.081 20 30 DGEDHM C=CCCCN(CC)C(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001602839628 1192999835 /nfs/dbraw/zinc/99/98/35/1192999835.db2.gz DINHEROPSKWSIG-UHFFFAOYSA-N -1 3 320.422 3.057 20 30 DGEDHM C=CCCCN(CC)C(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001602839628 1192999840 /nfs/dbraw/zinc/99/98/40/1192999840.db2.gz DINHEROPSKWSIG-UHFFFAOYSA-N -1 3 320.422 3.057 20 30 DGEDHM CC(=NN[C@@H](C)C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001602906361 1193001769 /nfs/dbraw/zinc/00/17/69/1193001769.db2.gz MGIXVQXJQCASRA-JTQLQIEISA-N -1 3 320.828 3.268 20 30 DGEDHM CC(=NN[C@@H](C)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602906361 1193001770 /nfs/dbraw/zinc/00/17/70/1193001770.db2.gz MGIXVQXJQCASRA-JTQLQIEISA-N -1 3 320.828 3.268 20 30 DGEDHM CC(C)C[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001603271539 1193013040 /nfs/dbraw/zinc/01/30/40/1193013040.db2.gz KCZMQAMPUGINBO-CYBMUJFWSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)C[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001603271539 1193013042 /nfs/dbraw/zinc/01/30/42/1193013042.db2.gz KCZMQAMPUGINBO-CYBMUJFWSA-N -1 3 310.405 3.001 20 30 DGEDHM C[C@H]1CC[C@H](C)C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001603873748 1193035852 /nfs/dbraw/zinc/03/58/52/1193035852.db2.gz AKGXRQIJCRGQAR-IUCAKERBSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1CC[C@H](C)C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001603873748 1193035853 /nfs/dbraw/zinc/03/58/53/1193035853.db2.gz AKGXRQIJCRGQAR-IUCAKERBSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@H]1C[C@@H]1c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC001603870612 1193036402 /nfs/dbraw/zinc/03/64/02/1193036402.db2.gz JDKVUOIMODPTLL-HZMBPMFUSA-N -1 3 308.345 3.029 20 30 DGEDHM C[C@H]1C[C@@H]1c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC001603870612 1193036405 /nfs/dbraw/zinc/03/64/05/1193036405.db2.gz JDKVUOIMODPTLL-HZMBPMFUSA-N -1 3 308.345 3.029 20 30 DGEDHM CCCCc1nnc([N-]C(=O)c2ccc(C#N)c(Cl)n2)s1 ZINC001354131600 1180727872 /nfs/dbraw/zinc/72/78/72/1180727872.db2.gz SUKNTUKJGMRPIJ-UHFFFAOYSA-N -1 3 321.793 3.053 20 30 DGEDHM C[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1cccc(C#N)c1 ZINC001604322832 1193064621 /nfs/dbraw/zinc/06/46/21/1193064621.db2.gz QBCJHDAQLJDWGU-VXGBXAGGSA-N -1 3 310.353 3.374 20 30 DGEDHM C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1cccc(C#N)c1 ZINC001604322829 1193064734 /nfs/dbraw/zinc/06/47/34/1193064734.db2.gz QBCJHDAQLJDWGU-NEPJUHHUSA-N -1 3 310.353 3.374 20 30 DGEDHM CCc1cnccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001604538506 1193081629 /nfs/dbraw/zinc/08/16/29/1193081629.db2.gz SXXYWSWVPCJMPV-FNORWQNLSA-N -1 3 319.368 3.029 20 30 DGEDHM CCc1cnccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001604538506 1193081636 /nfs/dbraw/zinc/08/16/36/1193081636.db2.gz SXXYWSWVPCJMPV-FNORWQNLSA-N -1 3 319.368 3.029 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001605265102 1193137510 /nfs/dbraw/zinc/13/75/10/1193137510.db2.gz VCIJKXQWEMASLJ-CMDGGOBGSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001605265102 1193137512 /nfs/dbraw/zinc/13/75/12/1193137512.db2.gz VCIJKXQWEMASLJ-CMDGGOBGSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(CSCCC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001605287871 1193140012 /nfs/dbraw/zinc/14/00/12/1193140012.db2.gz AHILVDLEZMRBKP-UHFFFAOYSA-N -1 3 317.418 3.048 20 30 DGEDHM COc1ccc(CSCCC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001605287871 1193140013 /nfs/dbraw/zinc/14/00/13/1193140013.db2.gz AHILVDLEZMRBKP-UHFFFAOYSA-N -1 3 317.418 3.048 20 30 DGEDHM C=CCC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)OCC ZINC001449695301 1182233205 /nfs/dbraw/zinc/23/32/05/1182233205.db2.gz LYRXHBXNNCKRNJ-HNNXBMFYSA-N -1 3 319.401 3.143 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)oc1C ZINC001605589102 1193158602 /nfs/dbraw/zinc/15/86/02/1193158602.db2.gz LTPGLWWAHBZDAJ-AATRIKPKSA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)oc1C ZINC001605589102 1193158609 /nfs/dbraw/zinc/15/86/09/1193158609.db2.gz LTPGLWWAHBZDAJ-AATRIKPKSA-N -1 3 312.304 3.112 20 30 DGEDHM O=C(c1cnc2ccccc2n1)N([O-])Cc1ccccc1Cl ZINC001458002121 1182488990 /nfs/dbraw/zinc/48/89/90/1182488990.db2.gz LFJYNWQRZFMZOA-UHFFFAOYSA-N -1 3 313.744 3.315 20 30 DGEDHM CCCCCCN([O-])C(=O)CCN1C(=O)CCc2ccccc21 ZINC001458012209 1182489837 /nfs/dbraw/zinc/48/98/37/1182489837.db2.gz SEHYMLZFMNFHKJ-UHFFFAOYSA-N -1 3 318.417 3.154 20 30 DGEDHM CO[C@@H](CC(=O)N([O-])CCCCc1ccccc1)C(F)(F)F ZINC001458006768 1182489886 /nfs/dbraw/zinc/48/98/86/1182489886.db2.gz ALZKNPQKHUEAEC-ZDUSSCGKSA-N -1 3 319.323 3.195 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1cnc2ccc(C)cc2c1 ZINC001458991550 1182562590 /nfs/dbraw/zinc/56/25/90/1182562590.db2.gz IHWLDRLMNAIXFC-UHFFFAOYSA-N -1 3 312.398 3.319 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001463386009 1183021869 /nfs/dbraw/zinc/02/18/69/1183021869.db2.gz CELFBEXQUSCNTJ-LLVKDONJSA-N -1 3 303.374 3.296 20 30 DGEDHM FC(F)(F)c1cc(N=NC[C@@H]2CC23CC3)ccc1-c1nnn[n-]1 ZINC001606292492 1193195845 /nfs/dbraw/zinc/19/58/45/1193195845.db2.gz WOIALWZEAXCIJJ-QMMMGPOBSA-N -1 3 322.294 3.083 20 30 DGEDHM FC(F)(F)c1cc(N=NC[C@@H]2CC23CC3)ccc1-c1nn[n-]n1 ZINC001606292492 1193195847 /nfs/dbraw/zinc/19/58/47/1193195847.db2.gz WOIALWZEAXCIJJ-QMMMGPOBSA-N -1 3 322.294 3.083 20 30 DGEDHM C=CCCCCCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001463678502 1183040604 /nfs/dbraw/zinc/04/06/04/1183040604.db2.gz JYKVOHHDBARNIL-UHFFFAOYSA-N -1 3 303.374 3.380 20 30 DGEDHM COc1cccc([C@H](N[C@H](C)c2cccc(C#N)c2)C(=O)[O-])c1 ZINC001607312786 1193223375 /nfs/dbraw/zinc/22/33/75/1193223375.db2.gz JGRXFJTXLHHYPM-PXAZEXFGSA-N -1 3 310.353 3.043 20 30 DGEDHM C=CCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001473062711 1183712087 /nfs/dbraw/zinc/71/20/87/1183712087.db2.gz RIJIVFJFZQPOSP-UHFFFAOYSA-N -1 3 312.398 3.248 20 30 DGEDHM N#Cc1ccc(C2(NCc3cc(C(=O)[O-])cs3)CCC2)cc1 ZINC001608204105 1193282881 /nfs/dbraw/zinc/28/28/81/1193282881.db2.gz SDRZOPNZWQCQNI-UHFFFAOYSA-N -1 3 312.394 3.487 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCC1 ZINC001609053871 1193322064 /nfs/dbraw/zinc/32/20/64/1193322064.db2.gz SBMVBRKEYARIOW-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCC1 ZINC001609053871 1193322068 /nfs/dbraw/zinc/32/20/68/1193322068.db2.gz SBMVBRKEYARIOW-UHFFFAOYSA-N -1 3 317.780 3.205 20 30 DGEDHM C=CC[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001609053048 1193322785 /nfs/dbraw/zinc/32/27/85/1193322785.db2.gz ZZKOMLVGJWTRMN-MRXNPFEDSA-N -1 3 320.352 3.132 20 30 DGEDHM C=CC[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001609053048 1193322788 /nfs/dbraw/zinc/32/27/88/1193322788.db2.gz ZZKOMLVGJWTRMN-MRXNPFEDSA-N -1 3 320.352 3.132 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001609052077 1193322943 /nfs/dbraw/zinc/32/29/43/1193322943.db2.gz KMHUDCJEMVCUQP-CQSZACIVSA-N -1 3 305.407 3.086 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001609052077 1193322945 /nfs/dbraw/zinc/32/29/45/1193322945.db2.gz KMHUDCJEMVCUQP-CQSZACIVSA-N -1 3 305.407 3.086 20 30 DGEDHM Cc1cc(O[C@@H](C)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001609411179 1193336051 /nfs/dbraw/zinc/33/60/51/1193336051.db2.gz SNJOXVAZELHKLK-LBPRGKRZSA-N -1 3 305.341 3.187 20 30 DGEDHM O=C(C=Cc1cccc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC001609517671 1193343464 /nfs/dbraw/zinc/34/34/64/1193343464.db2.gz IIYFKSBUJCHYAG-CMDGGOBGSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1cccc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC001609517671 1193343468 /nfs/dbraw/zinc/34/34/68/1193343468.db2.gz IIYFKSBUJCHYAG-CMDGGOBGSA-N -1 3 310.744 3.416 20 30 DGEDHM FCCC[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609486882 1193341852 /nfs/dbraw/zinc/34/18/52/1193341852.db2.gz HZVRFFDBKGJEJN-NSHDSACASA-N -1 3 302.357 3.184 20 30 DGEDHM FCCC[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609486882 1193341853 /nfs/dbraw/zinc/34/18/53/1193341853.db2.gz HZVRFFDBKGJEJN-NSHDSACASA-N -1 3 302.357 3.184 20 30 DGEDHM CCN(Cc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCOC(C)(C)C1 ZINC001610003198 1193371803 /nfs/dbraw/zinc/37/18/03/1193371803.db2.gz VQELCMIFOXJCJN-CQSZACIVSA-N -1 3 316.401 3.036 20 30 DGEDHM N#CCc1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC001610624102 1193401534 /nfs/dbraw/zinc/40/15/34/1193401534.db2.gz CZLCXBHSAKAHRB-UHFFFAOYSA-N -1 3 306.365 3.009 20 30 DGEDHM CCOC(=O)c1ccc(NC(=O)c2cc(C#N)ccc2C)c([O-])c1 ZINC001546341328 1186690097 /nfs/dbraw/zinc/69/00/97/1186690097.db2.gz WIEYVRPDKPNTDB-UHFFFAOYSA-N -1 3 324.336 3.001 20 30 DGEDHM CCSc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccn1 ZINC001611667301 1193439913 /nfs/dbraw/zinc/43/99/13/1193439913.db2.gz WXXXYGZHPFECQZ-UHFFFAOYSA-N -1 3 306.362 3.364 20 30 DGEDHM CCc1c(C)sc([N-]C(=O)c2ncc(Cl)cn2)c1C#N ZINC001520400946 1186940085 /nfs/dbraw/zinc/94/00/85/1186940085.db2.gz WSNAHZFHJDLVIV-UHFFFAOYSA-N -1 3 306.778 3.186 20 30 DGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)C(C)(C)C ZINC001528116186 1187470660 /nfs/dbraw/zinc/47/06/60/1187470660.db2.gz WDABIPFDVCBIJZ-LLVKDONJSA-N -1 3 314.763 3.299 20 30 DGEDHM N#Cc1cc(C(=O)[N-]c2c3nonc3ccc2Cl)cs1 ZINC001539054659 1188175441 /nfs/dbraw/zinc/17/54/41/1188175441.db2.gz XIHZQJOFHQTAEH-UHFFFAOYSA-N -1 3 304.718 3.062 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cccc(OC(F)(F)F)c1 ZINC001539889135 1188208183 /nfs/dbraw/zinc/20/81/83/1188208183.db2.gz ZEDPMMPMOZAIRU-UHFFFAOYSA-N -1 3 309.234 3.413 20 30 DGEDHM CCCCN([O-])C(=O)C1(c2ccccc2Br)CC1 ZINC001559035398 1188443128 /nfs/dbraw/zinc/44/31/28/1188443128.db2.gz OSNWDTFYEUCBTH-UHFFFAOYSA-N -1 3 312.207 3.499 20 30 DGEDHM COc1ccc(NC(=O)/C=C\C(=O)c2ccc(C)cc2)c([O-])c1 ZINC001556226315 1188990992 /nfs/dbraw/zinc/99/09/92/1188990992.db2.gz MJQBPNSFIRJNOM-KTKRTIGZSA-N -1 3 311.337 3.087 20 30 DGEDHM CC(C)(C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(C#N)cc1 ZINC001556722946 1189015858 /nfs/dbraw/zinc/01/58/58/1189015858.db2.gz KAWVPACCZJGYQK-UHFFFAOYSA-N -1 3 320.352 3.056 20 30 DGEDHM Cc1conc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001559031028 1189163706 /nfs/dbraw/zinc/16/37/06/1189163706.db2.gz PPFFAZMVNPAJDU-UHFFFAOYSA-N -1 3 301.129 3.321 20 30 DGEDHM CC1(C)CO[C@H](CC(=O)N([O-])CCCCc2ccccc2)C1 ZINC001559034425 1189164003 /nfs/dbraw/zinc/16/40/03/1189164003.db2.gz ZILBHRPUPFYYCV-MRXNPFEDSA-N -1 3 305.418 3.432 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nc(C)cc(C(F)(F)F)n1 ZINC001559035227 1189164262 /nfs/dbraw/zinc/16/42/62/1189164262.db2.gz IHBMUMFPLVZVNX-UHFFFAOYSA-N -1 3 305.300 3.216 20 30 DGEDHM CCCCN([O-])C(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC001559035587 1189164275 /nfs/dbraw/zinc/16/42/75/1189164275.db2.gz XKPOEPQKGQBUFH-SFHVURJKSA-N -1 3 321.417 3.419 20 30 DGEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001559037381 1189164479 /nfs/dbraw/zinc/16/44/79/1189164479.db2.gz UTIDYXYAMKGXNK-DLBZAZTESA-N -1 3 310.328 3.219 20 30 DGEDHM O=C(c1cccc(C(F)(F)F)n1)N([O-])Cc1ccc(F)cc1 ZINC001559037321 1189164746 /nfs/dbraw/zinc/16/47/46/1189164746.db2.gz RPVOAKZZESTNLF-UHFFFAOYSA-N -1 3 314.238 3.271 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N2Cc3cccc(C#N)c3C2)c1 ZINC001631763953 1194353921 /nfs/dbraw/zinc/35/39/21/1194353921.db2.gz POVXFODYIXTHAF-UHFFFAOYSA-N -1 3 310.378 3.142 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)c2cc(C3CC3)cnc2Cl)c1 ZINC001635506130 1194555851 /nfs/dbraw/zinc/55/58/51/1194555851.db2.gz APGQYPMWSRPSGE-UHFFFAOYSA-N -1 3 313.744 3.208 20 30 DGEDHM C#CCCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1 ZINC001636952581 1194642662 /nfs/dbraw/zinc/64/26/62/1194642662.db2.gz GIWNUHGFFYNQHI-UHFFFAOYSA-N -1 3 323.348 3.249 20 30 DGEDHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1cncc(F)c1 ZINC001637767434 1194685981 /nfs/dbraw/zinc/68/59/81/1194685981.db2.gz YOIVYGRXJYBXEN-SNVBAGLBSA-N -1 3 319.286 3.062 20 30 DGEDHM N#Cc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001639054457 1194749007 /nfs/dbraw/zinc/74/90/07/1194749007.db2.gz NJFYVZVPKUZTNW-UHFFFAOYSA-N -1 3 300.745 3.172 20 30 DGEDHM CCCCCCN([O-])C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001639067099 1194749234 /nfs/dbraw/zinc/74/92/34/1194749234.db2.gz KPRCRXTVBKZIEV-UHFFFAOYSA-N -1 3 309.366 3.195 20 30 DGEDHM Cc1ccn2cnc(C(=O)N([O-])CCCCc3ccccc3)c2c1 ZINC001639062253 1194749537 /nfs/dbraw/zinc/74/95/37/1194749537.db2.gz HLGTUBRRPRFYBX-UHFFFAOYSA-N -1 3 323.396 3.497 20 30 DGEDHM C#Cc1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001639155573 1194753436 /nfs/dbraw/zinc/75/34/36/1194753436.db2.gz XIRRHQCIQVRNDY-UHFFFAOYSA-N -1 3 301.345 3.457 20 30 DGEDHM C=C1CCC(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)CC1 ZINC001639784420 1194781723 /nfs/dbraw/zinc/78/17/23/1194781723.db2.gz PIEFKBLVPIKLCL-UHFFFAOYSA-N -1 3 305.378 3.050 20 30 DGEDHM C=C1CCC(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)CC1 ZINC001639784420 1194781724 /nfs/dbraw/zinc/78/17/24/1194781724.db2.gz PIEFKBLVPIKLCL-UHFFFAOYSA-N -1 3 305.378 3.050 20 30 DGEDHM C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)n1ccnc1 ZINC001641843282 1194874244 /nfs/dbraw/zinc/87/42/44/1194874244.db2.gz DYNKCBNGHCHLSR-SECBINFHSA-N -1 3 314.172 3.169 20 30 DGEDHM CCCCCCN([O-])C(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC001641867411 1194875967 /nfs/dbraw/zinc/87/59/67/1194875967.db2.gz FPTYGFOOJOGGLY-UHFFFAOYSA-N -1 3 314.426 3.184 20 30 DGEDHM C#Cc1ccccc1CC(=O)N([O-])CCCCc1ccccc1 ZINC001641864974 1194876026 /nfs/dbraw/zinc/87/60/26/1194876026.db2.gz MRENNLPLPRWNHM-UHFFFAOYSA-N -1 3 307.393 3.451 20 30 DGEDHM CC(C)n1ccc(CC(=O)N([O-])CCCCc2ccccc2)n1 ZINC001641865103 1194876105 /nfs/dbraw/zinc/87/61/05/1194876105.db2.gz SADGNVOOJBSFRK-UHFFFAOYSA-N -1 3 315.417 3.247 20 30 DGEDHM CCCCN([O-])C(=O)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC001641871452 1194876344 /nfs/dbraw/zinc/87/63/44/1194876344.db2.gz SBUPBBMYTHNTDR-UHFFFAOYSA-N -1 3 324.331 3.176 20 30 DGEDHM O=C(c1ccnc(-c2ccccc2)n1)N([O-])Cc1ccc(F)cc1 ZINC001641878139 1194877588 /nfs/dbraw/zinc/87/75/88/1194877588.db2.gz WIIFHJRXDXCSRC-UHFFFAOYSA-N -1 3 323.327 3.314 20 30 DGEDHM C#CCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccccc1 ZINC001643014729 1194960821 /nfs/dbraw/zinc/96/08/21/1194960821.db2.gz CFIJHUOTXOFZCY-UHFFFAOYSA-N -1 3 319.364 3.078 20 30 DGEDHM N#Cc1cccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC001651211580 1195426433 /nfs/dbraw/zinc/42/64/33/1195426433.db2.gz CACRJFNTFYIVRU-UHFFFAOYSA-N -1 3 322.151 3.292 20 30 DGEDHM CCn1cc(Cl)c(C(=O)N([O-])Cc2ccccc2Cl)n1 ZINC001651225987 1195429080 /nfs/dbraw/zinc/42/90/80/1195429080.db2.gz GMBZNULXGTXQCS-UHFFFAOYSA-N -1 3 314.172 3.241 20 30 DGEDHM CC(=O)c1ncc(C(=O)N([O-])Cc2ccccc2Cl)s1 ZINC001651223865 1195427837 /nfs/dbraw/zinc/42/78/37/1195427837.db2.gz XTPUJXMEAFPRNE-UHFFFAOYSA-N -1 3 310.762 3.031 20 30 DGEDHM N#Cc1ccc(NCC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001651226249 1195428491 /nfs/dbraw/zinc/42/84/91/1195428491.db2.gz QSBLVZRCXQDMTA-UHFFFAOYSA-N -1 3 323.396 3.211 20 30 DGEDHM CC(=O)c1ncc(C(=O)N([O-])CCCCc2ccccc2)s1 ZINC001651226875 1195428915 /nfs/dbraw/zinc/42/89/15/1195428915.db2.gz BMSSAWBZLGDSFN-UHFFFAOYSA-N -1 3 318.398 3.200 20 30 DGEDHM CCCCCCN([O-])C(=O)c1coc(-c2ccnc(C)c2)n1 ZINC001651229789 1195429056 /nfs/dbraw/zinc/42/90/56/1195429056.db2.gz WZJRMTKNLWUAIN-UHFFFAOYSA-N -1 3 303.362 3.457 20 30 DGEDHM N#Cc1ccnc(SCc2nnc(-c3ccccc3[O-])o2)c1 ZINC001652603172 1195624542 /nfs/dbraw/zinc/62/45/42/1195624542.db2.gz HLVPIPYRRSMCGA-UHFFFAOYSA-N -1 3 310.338 3.001 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]12 ZINC001654822214 1195844706 /nfs/dbraw/zinc/84/47/06/1195844706.db2.gz XQLBAYRWZLXNFM-BFHYXJOUSA-N -1 3 324.218 3.353 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC001654819629 1195844769 /nfs/dbraw/zinc/84/47/69/1195844769.db2.gz KRGBEJUBQPQHAE-GJZGRUSLSA-N -1 3 319.401 3.359 20 30 DGEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001662987991 1196780130 /nfs/dbraw/zinc/78/01/30/1196780130.db2.gz ZYANLYRFGXNRSB-UHFFFAOYSA-N -1 3 323.842 3.067 20 30 DGEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCCC1 ZINC001664482295 1197004557 /nfs/dbraw/zinc/00/45/57/1197004557.db2.gz FGCCTGOBZATIAI-UHFFFAOYSA-N -1 3 315.385 3.440 20 30 DGEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(F)c(F)cc1[O-] ZINC001664687296 1197037198 /nfs/dbraw/zinc/03/71/98/1197037198.db2.gz XSVLUAUWZQMCCY-UHFFFAOYSA-N -1 3 323.339 3.334 20 30 DGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(C)cnc1Cl ZINC001665215766 1197110270 /nfs/dbraw/zinc/11/02/70/1197110270.db2.gz CUSWDDTZYXDQPU-UHFFFAOYSA-N -1 3 302.827 3.067 20 30 DGEDHM O=C([O-])CC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001595019328 951312548 /nfs/dbraw/zinc/31/25/48/951312548.db2.gz SNUXJIQCTKCWIW-HNNXBMFYSA-N -1 3 305.805 3.268 20 30 DGEDHM CSc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1C#N ZINC001574257475 960543531 /nfs/dbraw/zinc/54/35/31/960543531.db2.gz LHBXFDSYRXSLTD-UHFFFAOYSA-N -1 3 312.394 3.268 20 30 DGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC1(C(=O)[O-])CCC1 ZINC001574474594 961641504 /nfs/dbraw/zinc/64/15/04/961641504.db2.gz PUJWIHFRQSJTDH-SJORKVTESA-N -1 3 312.413 3.403 20 30 DGEDHM C=C(C)[C@H](NC[C@@H]1[C@@H](C(=O)[O-])C1(F)F)c1ccc(F)c(F)c1 ZINC001588535880 983591182 /nfs/dbraw/zinc/59/11/82/983591182.db2.gz RUKGEMLRHZKBLS-ICCXJUOJSA-N -1 3 317.282 3.138 20 30 DGEDHM COc1cccc([C@H](N[C@@H](C)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001599656378 994587459 /nfs/dbraw/zinc/58/74/59/994587459.db2.gz GJBKEDAUBODXQN-SJCJKPOMSA-N -1 3 310.353 3.043 20 30 DGEDHM COc1cc(C#N)ccc1Nc1nc(Br)ccc1[O-] ZINC001209260384 1092715762 /nfs/dbraw/zinc/71/57/62/1092715762.db2.gz VERDASOBAPBEFH-UHFFFAOYSA-N -1 3 320.146 3.174 20 30 DGEDHM CCC(C#N)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000040365465 1081898914 /nfs/dbraw/zinc/89/89/14/1081898914.db2.gz YQABWXBVJJRAFQ-UHFFFAOYSA-N -1 3 321.229 3.354 20 30 DGEDHM CC(=O)c1cccc([O-])c1NC(=O)[C@H](C)c1ccc(C#N)cc1 ZINC001182798333 1083796541 /nfs/dbraw/zinc/79/65/41/1083796541.db2.gz NZEKMWHLNBQTSG-LLVKDONJSA-N -1 3 308.337 3.209 20 30 DGEDHM O=C([C@@H]1CCc2cccc(O)c21)N([O-])Cc1ccccc1Cl ZINC001184283561 1084151454 /nfs/dbraw/zinc/15/14/54/1084151454.db2.gz NPLOVPSHKSGQPJ-CYBMUJFWSA-N -1 3 317.772 3.493 20 30 DGEDHM O=C(Cc1c[nH]c2cnccc12)N([O-])CCCCc1ccccc1 ZINC001184293087 1084156397 /nfs/dbraw/zinc/15/63/97/1084156397.db2.gz DQCQNOXDAUMYJZ-UHFFFAOYSA-N -1 3 323.396 3.346 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2F)ccc1Cl ZINC001185524825 1084463111 /nfs/dbraw/zinc/46/31/11/1084463111.db2.gz MOOVSSVNCGBIHA-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM N#Cc1cc(NC(=O)CCCC(=O)Nc2ccccc2)ccc1[O-] ZINC001143563545 1085760446 /nfs/dbraw/zinc/76/04/46/1085760446.db2.gz GGNJHPDKFHBTHM-UHFFFAOYSA-N -1 3 323.352 3.011 20 30 DGEDHM N#Cc1c[nH]c2ncnc(-c3ccc([O-])cc3C(F)(F)F)c12 ZINC001205066820 1087609993 /nfs/dbraw/zinc/60/99/93/1087609993.db2.gz VGVVHBOIAGKVCN-UHFFFAOYSA-N -1 3 304.231 3.221 20 30 DGEDHM N#Cc1cc(NC(=O)c2c[nH]c3cnc(Cl)cc23)ccc1[O-] ZINC001154231709 1088526681 /nfs/dbraw/zinc/52/66/81/1088526681.db2.gz UZEWLJRBDBAXTK-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM Cc1ccc2ncc([O-])c(C(=O)N[C@@](C)(C#N)CC(C)C)c2c1 ZINC001154534031 1088646881 /nfs/dbraw/zinc/64/68/81/1088646881.db2.gz UYRCVVIOVFEZSZ-GOSISDBHSA-N -1 3 311.385 3.307 20 30 DGEDHM N#Cc1c(F)cc(C[N-]C(=O)C(F)(F)c2ccccc2)cc1F ZINC001155204004 1089006217 /nfs/dbraw/zinc/00/62/17/1089006217.db2.gz GEEYYYHPXZEGHO-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C ZINC001161832511 1089429926 /nfs/dbraw/zinc/42/99/26/1089429926.db2.gz OVEMGWYCYHPQIE-LBPRGKRZSA-N -1 3 302.415 3.040 20 30 DGEDHM CCCCN([O-])C(=O)Cc1cccc(Br)c1C ZINC001161831902 1089430049 /nfs/dbraw/zinc/43/00/49/1089430049.db2.gz HRZSJIVSPNEIJI-UHFFFAOYSA-N -1 3 300.196 3.318 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C ZINC001161833011 1089431901 /nfs/dbraw/zinc/43/19/01/1089431901.db2.gz XFGRBAFCZFCRBW-CHWSQXEVSA-N -1 3 316.442 3.190 20 30 DGEDHM O=C([C@@H]1C[C@H]1c1cccc(O)c1)N([O-])Cc1ccc(F)cc1 ZINC001161842934 1089435725 /nfs/dbraw/zinc/43/57/25/1089435725.db2.gz URWWLCBSYMYBDK-JKSUJKDBSA-N -1 3 301.317 3.053 20 30 DGEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001299258318 1090377780 /nfs/dbraw/zinc/37/77/80/1090377780.db2.gz FJTXDLGWMYGWBX-INIZCTEOSA-N -1 3 313.372 3.377 20 30 DGEDHM O=C(c1ccc2cnccc2n1)N([O-])CCCCc1ccccc1 ZINC001649052254 1090579143 /nfs/dbraw/zinc/57/91/43/1090579143.db2.gz VPUCNXDBHGAYOL-UHFFFAOYSA-N -1 3 321.380 3.484 20 30 DGEDHM COC(=O)c1scc(C#N)c1Nc1cc(F)cc(F)c1[O-] ZINC001212479746 1090937978 /nfs/dbraw/zinc/93/79/78/1090937978.db2.gz PUFPWTFRACDCEP-UHFFFAOYSA-N -1 3 310.281 3.134 20 30 DGEDHM C#CCOc1cc(F)ccc1NC(=O)c1ccc(CC)cc1[O-] ZINC001294180420 1091357148 /nfs/dbraw/zinc/35/71/48/1091357148.db2.gz HYHWKVGLNSOPJR-UHFFFAOYSA-N -1 3 313.328 3.358 20 30 DGEDHM N#Cc1nc(Cl)c([N-]c2c(Cl)ccc(O)c2F)nc1C#N ZINC001214557943 1093799852 /nfs/dbraw/zinc/79/98/52/1093799852.db2.gz LVFMTWATGGAPIB-UHFFFAOYSA-N -1 3 324.102 3.115 20 30 DGEDHM CN1CCc2c(C#N)c(Nc3cc(F)c([O-])cc3F)sc2C1 ZINC001215570844 1094003866 /nfs/dbraw/zinc/00/38/66/1094003866.db2.gz XPEQUOQQNNBKHE-UHFFFAOYSA-N -1 3 321.352 3.335 20 30 DGEDHM COc1ncc(Nc2cc(Br)ccc2C#N)cc1[O-] ZINC001216207919 1094146890 /nfs/dbraw/zinc/14/68/90/1094146890.db2.gz CLVSIBHCSGCCAW-UHFFFAOYSA-N -1 3 320.146 3.174 20 30 DGEDHM COc1ncc(Nc2ccc(C(F)(F)F)cc2C#N)cc1[O-] ZINC001216209618 1094147582 /nfs/dbraw/zinc/14/75/82/1094147582.db2.gz GGWVBHGTDHTIGM-UHFFFAOYSA-N -1 3 309.247 3.430 20 30 DGEDHM CCOC(=O)c1ccc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001216609879 1094232270 /nfs/dbraw/zinc/23/22/70/1094232270.db2.gz AFZSLFUWCAZIIN-UHFFFAOYSA-N -1 3 314.345 3.159 20 30 DGEDHM N#Cc1cccc(-c2noc(-c3nc4nc(Cl)ccc4[n-]3)n2)c1 ZINC001217551765 1094438182 /nfs/dbraw/zinc/43/81/82/1094438182.db2.gz RUOMADWDJAEJLP-UHFFFAOYSA-N -1 3 322.715 3.200 20 30 DGEDHM N#Cc1cccc(-c2noc(-c3nc4ccc(Cl)[n-]c-4n3)n2)c1 ZINC001217551765 1094438185 /nfs/dbraw/zinc/43/81/85/1094438185.db2.gz RUOMADWDJAEJLP-UHFFFAOYSA-N -1 3 322.715 3.200 20 30 DGEDHM N#Cc1cccc(-c2noc(-c3nc4ccc(Cl)nc4[n-]3)n2)c1 ZINC001217551765 1094438189 /nfs/dbraw/zinc/43/81/89/1094438189.db2.gz RUOMADWDJAEJLP-UHFFFAOYSA-N -1 3 322.715 3.200 20 30 DGEDHM C=CC[C@H](C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144026564 1095480757 /nfs/dbraw/zinc/48/07/57/1095480757.db2.gz JRGPVCWKBBDANX-JTQLQIEISA-N -1 3 304.777 3.422 20 30 DGEDHM COc1ccc(OC)c(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000210528325 1095501775 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DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2nc(-c3cccnc3)n[n-]2)O1 ZINC001228697257 1097170568 /nfs/dbraw/zinc/17/05/68/1097170568.db2.gz GRIDGHPSHDYPHF-CXAGYDPISA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2n[n-]c(-c3cccnc3)n2)O1 ZINC001228697257 1097170572 /nfs/dbraw/zinc/17/05/72/1097170572.db2.gz GRIDGHPSHDYPHF-CXAGYDPISA-N -1 3 314.389 3.148 20 30 DGEDHM COc1cccc2nc(=O)[n-]c(O[C@@H](C)CC(C)(C)S)c21 ZINC001229242040 1097282574 /nfs/dbraw/zinc/28/25/74/1097282574.db2.gz MNDMOCKACJLIMZ-VIFPVBQESA-N -1 3 308.403 3.210 20 30 DGEDHM Cc1ccc(C(=O)c2ccc([O-])c(O[C@H]3C=CC(=O)C3)c2)cc1 ZINC001229539982 1097340810 /nfs/dbraw/zinc/34/08/10/1097340810.db2.gz YHSLGSCNUFOZJI-INIZCTEOSA-N -1 3 308.333 3.208 20 30 DGEDHM O=C1OCCC[C@@H]1Oc1ccccc1/C=N/c1ccccc1[O-] ZINC001229932759 1097414276 /nfs/dbraw/zinc/41/42/76/1097414276.db2.gz HQUQNAXYRUXLGL-DAQNXSASSA-N -1 3 311.337 3.227 20 30 DGEDHM N#C[C@H](Oc1[n-]c(=O)nc2cc(F)ccc21)c1ccccc1F ZINC001230883031 1097612641 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308.381 3.261 20 30 DGEDHM Cc1nc(NC(=O)c2ccc(C)cc2[O-])sc1SCC#N ZINC000436603166 434033117 /nfs/dbraw/zinc/03/31/17/434033117.db2.gz AEKPATDFQYLZJY-UHFFFAOYSA-N -1 3 319.411 3.334 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(C#N)cs3)nc21 ZINC000437353747 434252700 /nfs/dbraw/zinc/25/27/00/434252700.db2.gz JGQYLNDAKIHKSV-LLVKDONJSA-N -1 3 306.350 3.295 20 30 DGEDHM CC(C)Oc1ccc(C#N)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417005075 434271468 /nfs/dbraw/zinc/27/14/68/434271468.db2.gz CTIHJCUKNKASJX-UHFFFAOYSA-N -1 3 324.384 3.331 20 30 DGEDHM CCC(CC)(CC)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000391344984 434379584 /nfs/dbraw/zinc/37/95/84/434379584.db2.gz DQGYHYLYUPTMKB-UHFFFAOYSA-N -1 3 300.449 3.114 20 30 DGEDHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)ccc1C#N ZINC000417570326 434446345 /nfs/dbraw/zinc/44/63/45/434446345.db2.gz WDNRZSDSUVCJPC-GOSISDBHSA-N -1 3 324.380 3.099 20 30 DGEDHM Cc1cc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])ccc1C#N ZINC000417572399 434446605 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N#Cc1csc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)c1 ZINC000181749137 323267476 /nfs/dbraw/zinc/26/74/76/323267476.db2.gz RFYYJQFOMPOEQD-AWEZNQCLSA-N -1 3 324.365 3.291 20 30 DGEDHM CC(C)(C)c1coc([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000583638596 324378760 /nfs/dbraw/zinc/37/87/60/324378760.db2.gz BOMCKLAUGLINBL-UHFFFAOYSA-N -1 3 305.284 3.374 20 30 DGEDHM CC(C)(C#N)c1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000179419249 331523504 /nfs/dbraw/zinc/52/35/04/331523504.db2.gz HRUQPKWNOIPXQF-FPYGCLRLSA-N -1 3 307.353 3.240 20 30 DGEDHM C=CCN(Cc1ccccc1F)[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000297731306 331605996 /nfs/dbraw/zinc/60/59/96/331605996.db2.gz BZRWFOXRHBQJOY-CYBMUJFWSA-N -1 3 317.364 3.137 20 30 DGEDHM CCc1c([N-]C(=O)C2(C#N)CCCC2)onc1C(F)(F)F ZINC000562322967 332577256 /nfs/dbraw/zinc/57/72/56/332577256.db2.gz FGQDERFGRDGNHH-UHFFFAOYSA-N -1 3 301.268 3.278 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)CCC4)nc1-2 ZINC000531185271 333243056 /nfs/dbraw/zinc/24/30/56/333243056.db2.gz UJRZBRLRSZRTQO-OAHLLOKOSA-N -1 3 316.364 3.245 20 30 DGEDHM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295261454 334221482 /nfs/dbraw/zinc/22/14/82/334221482.db2.gz YBVNOWQLHWMGSC-LBPRGKRZSA-N -1 3 306.387 3.177 20 30 DGEDHM N#CCc1ccnc(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000527250386 337740588 /nfs/dbraw/zinc/74/05/88/337740588.db2.gz NJTYLMSHTIDPOB-UHFFFAOYSA-N -1 3 321.258 3.124 20 30 DGEDHM Cc1cc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)ccc1[O-] ZINC000500017047 340048668 /nfs/dbraw/zinc/04/86/68/340048668.db2.gz JEZYPEWWQCHIAZ-CQSZACIVSA-N -1 3 300.745 3.349 20 30 DGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(C)c1[O-] ZINC000130197193 341005974 /nfs/dbraw/zinc/00/59/74/341005974.db2.gz SBTNIVBBXNQZDD-UHFFFAOYSA-N -1 3 306.365 3.401 20 30 DGEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000135076041 341230533 /nfs/dbraw/zinc/23/05/33/341230533.db2.gz FIPMMGWGSZEVMY-UHFFFAOYSA-N -1 3 317.316 3.357 20 30 DGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000549720781 341301393 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C=CCNc1ncc(C(=O)[N-]c2nnc(CCCC)s2)s1 ZINC000136122365 526682887 /nfs/dbraw/zinc/68/28/87/526682887.db2.gz OAJIVPGABOVYKP-UHFFFAOYSA-N -1 3 323.447 3.187 20 30 DGEDHM C=CCNc1ncc(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000136196485 526683585 /nfs/dbraw/zinc/68/35/85/526683585.db2.gz HIYNFKBLTMMDPH-UHFFFAOYSA-N -1 3 323.447 3.142 20 30 DGEDHM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)N1CCCCC1 ZINC000330833938 526949337 /nfs/dbraw/zinc/94/93/37/526949337.db2.gz KSBAPMJGVDFRPW-UHFFFAOYSA-N -1 3 312.360 3.240 20 30 DGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000344978347 527000319 /nfs/dbraw/zinc/00/03/19/527000319.db2.gz UFARJLOJKYGDNF-UHFFFAOYSA-N -1 3 318.801 3.087 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1[O-] ZINC000331238983 527222298 /nfs/dbraw/zinc/22/22/98/527222298.db2.gz OCDXXMVXFBYEKD-QWHCGFSZSA-N -1 3 318.417 3.020 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCCCOc1ccc(C)c(C)c1 ZINC000348110213 527331920 /nfs/dbraw/zinc/33/19/20/527331920.db2.gz BQHVNOPOOVPICP-UHFFFAOYSA-N -1 3 319.430 3.348 20 30 DGEDHM C=CCn1c(=O)[n-]nc1S[C@@H](CCOC)c1ccccc1 ZINC000340546207 527334053 /nfs/dbraw/zinc/33/40/53/527334053.db2.gz MXCLLLOKAWXNMI-ZDUSSCGKSA-N -1 3 305.403 3.040 20 30 DGEDHM CC(C)=CCOc1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000354458210 527449851 /nfs/dbraw/zinc/44/98/51/527449851.db2.gz COEWHMGRISVBQI-INIZCTEOSA-N -1 3 307.353 3.312 20 30 DGEDHM CC(C)(C#N)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC000155690629 527497182 /nfs/dbraw/zinc/49/71/82/527497182.db2.gz SCRMJNARWOHYLP-AWEZNQCLSA-N -1 3 303.362 3.067 20 30 DGEDHM CC(C)(C#N)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC000155690629 527497193 /nfs/dbraw/zinc/49/71/93/527497193.db2.gz SCRMJNARWOHYLP-AWEZNQCLSA-N -1 3 303.362 3.067 20 30 DGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000340882070 527571355 /nfs/dbraw/zinc/57/13/55/527571355.db2.gz MMAAOFWPFRGBRW-ZETCQYMHSA-N -1 3 313.728 3.212 20 30 DGEDHM CCO[C@@H](CC/N=C/c1ccc(O)c([O-])c1O)C1CCCC1 ZINC000176323122 527713307 /nfs/dbraw/zinc/71/33/07/527713307.db2.gz 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ZINC000682995213 549410032 /nfs/dbraw/zinc/41/00/32/549410032.db2.gz RBVPFSIYOBZMIX-HNNXBMFYSA-N -1 3 304.353 3.250 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(Cl)nn2)c2c1c(F)ccc2[O-] ZINC000730541900 574531430 /nfs/dbraw/zinc/53/14/30/574531430.db2.gz UAIJLQUHTGHKKR-SSDOTTSWSA-N -1 3 306.728 3.298 20 30 DGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000730995879 574541048 /nfs/dbraw/zinc/54/10/48/574541048.db2.gz AAIKJKGGAOZPOC-UHFFFAOYSA-N -1 3 321.785 3.153 20 30 DGEDHM CCOc1ccc(/C=N\[C@H](C)C(=O)Nc2ccccc2)c([O-])c1 ZINC000732529043 574575534 /nfs/dbraw/zinc/57/55/34/574575534.db2.gz LQPNZXVOOQKFNP-CQLSMYGBSA-N -1 3 312.369 3.237 20 30 DGEDHM COC(=O)C[C@@H](/N=C/c1ccccc1[O-])c1ccc(OC)cc1 ZINC000732770060 574582165 /nfs/dbraw/zinc/58/21/65/574582165.db2.gz UDLPAOXUYWAVKW-PUMYGXPMSA-N -1 3 313.353 3.124 20 30 DGEDHM O=c1[nH]c2c(cc1CN=Cc1cc(Cl)ccc1[O-])CCC2 ZINC000733080960 574594836 /nfs/dbraw/zinc/59/48/36/574594836.db2.gz HXHXKSZFMSEXJJ-LSCVHKIXSA-N -1 3 302.761 3.254 20 30 DGEDHM CCCC=CC([O-])=C(C#N)C(=O)Nc1ccccc1OCC ZINC000735205226 574692038 /nfs/dbraw/zinc/69/20/38/574692038.db2.gz BBONKSPTABRQPL-AGEOTTOMSA-N -1 3 300.358 3.089 20 30 DGEDHM C=CCCCSCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735412441 574699898 /nfs/dbraw/zinc/69/98/98/574699898.db2.gz AVPIYEVQUWGQLK-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM C=CCCCSCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735412441 574699900 /nfs/dbraw/zinc/69/99/00/574699900.db2.gz AVPIYEVQUWGQLK-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM C=CCCCCCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735408787 574701310 /nfs/dbraw/zinc/70/13/10/574701310.db2.gz QSCFYVSUTJNKTA-UHFFFAOYSA-N -1 3 314.393 3.077 20 30 DGEDHM C=CCCCCCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735408787 574701311 /nfs/dbraw/zinc/70/13/11/574701311.db2.gz QSCFYVSUTJNKTA-UHFFFAOYSA-N -1 3 314.393 3.077 20 30 DGEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000736662669 574762279 /nfs/dbraw/zinc/76/22/79/574762279.db2.gz RHQHDTJEGUNPIJ-QFYYESIMSA-N -1 3 316.307 3.313 20 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ZINC000741755336 574968654 /nfs/dbraw/zinc/96/86/54/574968654.db2.gz CVJLWVVJZQYURW-PVJNQWLSSA-N -1 3 321.760 3.263 20 30 DGEDHM CCOc1ccc(/C=N/CC2(SC)CCOCC2)c([O-])c1 ZINC000741755104 574968786 /nfs/dbraw/zinc/96/87/86/574968786.db2.gz PJQTVGLHEIXCGN-GZTJUZNOSA-N -1 3 309.431 3.122 20 30 DGEDHM CCOc1ccc(/C=N/CCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000741844751 574973247 /nfs/dbraw/zinc/97/32/47/574973247.db2.gz PVRFFZQRZWXPQD-LDADJPATSA-N -1 3 314.341 3.361 20 30 DGEDHM CC(=NNCCCOc1ccccc1)c1ccc([O-])c(F)c1 ZINC000729148814 575220402 /nfs/dbraw/zinc/22/04/02/575220402.db2.gz FXRFXCKDDWRHOT-UHFFFAOYSA-N -1 3 302.349 3.314 20 30 DGEDHM CC(C)Cc1nc(C#N)c(N=NC(C)c2ccc([O-])cc2F)o1 ZINC000729933326 575267314 /nfs/dbraw/zinc/26/73/14/575267314.db2.gz XHRANEMROVWTOU-UHFFFAOYSA-N -1 3 316.336 3.426 20 30 DGEDHM CCOc1cc(C=NN=C(C)c2cnccn2)cc(Cl)c1[O-] ZINC000745201028 575384599 /nfs/dbraw/zinc/38/45/99/575384599.db2.gz PTFKCQFGVCIHMH-UHFFFAOYSA-N -1 3 318.764 3.077 20 30 DGEDHM Cc1ccoc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000746481614 575454749 /nfs/dbraw/zinc/45/47/49/575454749.db2.gz KLMTYLYYMYCJCK-UHFFFAOYSA-N -1 3 305.677 3.274 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(F)cc2F)c1[O-] ZINC000747712895 575534705 /nfs/dbraw/zinc/53/47/05/575534705.db2.gz KJENICDMWKICHA-PIPHKAODSA-N -1 3 306.312 3.046 20 30 DGEDHM [O-]c1ccc(-c2ccccc2)cc1C=NNC(=S)NC1CC1 ZINC000749443519 575656565 /nfs/dbraw/zinc/65/65/65/575656565.db2.gz GXHNEVPOEVRHJZ-UHFFFAOYSA-N -1 3 311.410 3.020 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2c(c1)nnn2C ZINC000751032641 575768299 /nfs/dbraw/zinc/76/82/99/575768299.db2.gz RWEBQKYLBBZHSM-MKVDPYIPSA-N -1 3 323.327 3.196 20 30 DGEDHM N#CCc1ccc(COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000751591336 575792168 /nfs/dbraw/zinc/79/21/68/575792168.db2.gz OSKYEFJLVSFRQZ-UHFFFAOYSA-N -1 3 301.729 3.469 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2ccc(-n3cncn3)c(F)c2)ccc1[O-] ZINC000728231165 576170884 /nfs/dbraw/zinc/17/08/84/576170884.db2.gz JCJKIAMZTWCKGV-UTCJRWHESA-N -1 3 323.327 3.317 20 30 DGEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc(OC)c1O ZINC000728231117 576170906 /nfs/dbraw/zinc/17/09/06/576170906.db2.gz ICFSPFMLGDZIMF-XQRVVYSFSA-N -1 3 314.337 3.320 20 30 DGEDHM CC(=NNC(=S)N[C@@H]1CCCC[C@H]1C)c1ccc([O-])c(F)c1 ZINC000728427674 576181350 /nfs/dbraw/zinc/18/13/50/576181350.db2.gz HKBRCHFJBXGTFO-QMTHXVAHSA-N -1 3 323.437 3.298 20 30 DGEDHM N#CC[C@H](NCc1cc(Br)ccc1[O-])C(F)(F)F ZINC000922647749 621072818 /nfs/dbraw/zinc/07/28/18/621072818.db2.gz WYIILSLVVANTLL-JTQLQIEISA-N -1 3 323.112 3.089 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCc3cccc(C#N)c3)n[n-]2)o1 ZINC000919325684 620746630 /nfs/dbraw/zinc/74/66/30/620746630.db2.gz PJBVPPNRFZSNGD-UHFFFAOYSA-N -1 3 307.309 3.207 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)OCc3cccc(C#N)c3)[n-]n2)o1 ZINC000919325684 620746633 /nfs/dbraw/zinc/74/66/33/620746633.db2.gz PJBVPPNRFZSNGD-UHFFFAOYSA-N -1 3 307.309 3.207 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccc(C)cc1Br ZINC000846550461 617770711 /nfs/dbraw/zinc/77/07/11/617770711.db2.gz SOSUAXRZJFXQCC-LLVKDONJSA-N -1 3 312.207 3.312 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000846556008 617771656 /nfs/dbraw/zinc/77/16/56/617771656.db2.gz WSHVNNAKQHQQBW-QMMMGPOBSA-N -1 3 318.598 3.267 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3cc(Cl)ccc32)c1[O-] ZINC000920176953 620789854 /nfs/dbraw/zinc/78/98/54/620789854.db2.gz BRKXETUTZQWHAQ-RUIVNBNWSA-N -1 3 316.788 3.348 20 30 DGEDHM Cc1ccc(CCC/N=C/c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000018138042 618308939 /nfs/dbraw/zinc/30/89/39/618308939.db2.gz TVVPMCDNGWISLD-RGVLZGJSSA-N -1 3 312.413 3.256 20 30 DGEDHM N#CC[C@H](NCc1ccc(Br)cc1[O-])C(F)(F)F ZINC000896697416 618947467 /nfs/dbraw/zinc/94/74/67/618947467.db2.gz SNSWTLKDXBAPCH-JTQLQIEISA-N -1 3 323.112 3.089 20 30 DGEDHM Cc1ncc(CO)c(/C=N/Cc2cc(C3CC3)ccc2F)c1[O-] ZINC000840706790 618975481 /nfs/dbraw/zinc/97/54/81/618975481.db2.gz KEKGAYOBEIMHQT-AWQFTUOYSA-N -1 3 314.360 3.224 20 30 DGEDHM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(C[C@H](C)C#N)c1=O ZINC000899347689 619327566 /nfs/dbraw/zinc/32/75/66/619327566.db2.gz BNCOHJZTIXLIPL-RISCZKNCSA-N -1 3 303.793 3.318 20 30 DGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cnn(C2CCC2)c1 ZINC000899400065 619335971 /nfs/dbraw/zinc/33/59/71/619335971.db2.gz FTBLSPBSQNBBPR-XQRVVYSFSA-N -1 3 304.296 3.488 20 30 DGEDHM N#Cc1cc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cs1 ZINC000900037791 619394506 /nfs/dbraw/zinc/39/45/06/619394506.db2.gz LMTHZURJPDAYHA-HNNXBMFYSA-N -1 3 300.383 3.315 20 30 DGEDHM C[C@@H]1OCC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900095413 619403963 /nfs/dbraw/zinc/40/39/63/619403963.db2.gz CFBUGKRSJSAFFW-QPUJVOFHSA-N -1 3 304.173 3.136 20 30 DGEDHM CCCCC1N=NC(=S)N1N=Cc1cc([O-])cc(Cl)c1 ZINC000901134017 619474047 /nfs/dbraw/zinc/47/40/47/619474047.db2.gz RUXDRXKEJRKBJC-UHFFFAOYSA-N -1 3 310.810 3.151 20 30 DGEDHM Cc1noc(C)c1[C@@H](C)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372566 619489811 /nfs/dbraw/zinc/48/98/11/619489811.db2.gz HNKVIHLMJVMUEP-JTQLQIEISA-N -1 3 306.337 3.342 20 30 DGEDHM C=CCCn1cc(C(=O)N([O-])Cc2cccc3ccccc32)nn1 ZINC000901371330 619490408 /nfs/dbraw/zinc/49/04/08/619490408.db2.gz RVTMKOTZSUBDKC-UHFFFAOYSA-N -1 3 322.368 3.039 20 30 DGEDHM Cc1cccc(COCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901372335 619490944 /nfs/dbraw/zinc/49/09/44/619490944.db2.gz WPKPOUSDDPSAIF-UHFFFAOYSA-N -1 3 303.333 3.069 20 30 DGEDHM COc1ccccc1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375182 619491935 /nfs/dbraw/zinc/49/19/35/619491935.db2.gz FPRGYYLIBJYVRH-UHFFFAOYSA-N -1 3 303.333 3.185 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)N([O-])Cc3ccc(F)cc3)[nH]n2)o1 ZINC000901374547 619492043 /nfs/dbraw/zinc/49/20/43/619492043.db2.gz MBKCLVNGVZOEGP-UHFFFAOYSA-N -1 3 315.304 3.149 20 30 DGEDHM Cc1nccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)n1 ZINC000901380500 619492727 /nfs/dbraw/zinc/49/27/27/619492727.db2.gz YJPFMSANYHBFRE-UHFFFAOYSA-N -1 3 312.156 3.123 20 30 DGEDHM CCOc1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901379282 619492763 /nfs/dbraw/zinc/49/27/63/619492763.db2.gz UAXVIQWKRFQEEC-UHFFFAOYSA-N -1 3 303.333 3.185 20 30 DGEDHM CCn1nc(C)c(/C=C/C(=O)c2cc(C)c([O-])c(O)c2)c1C ZINC000901521384 619510385 /nfs/dbraw/zinc/51/03/85/619510385.db2.gz CTAOCHXHCAUBCK-VOTSOKGWSA-N -1 3 300.358 3.136 20 30 DGEDHM C=CCN(CC(=O)[O-])Cc1cc(F)ccc1N(C)C[C@H](C)CC ZINC000901586809 619519087 /nfs/dbraw/zinc/51/90/87/619519087.db2.gz SOMXKPFGWPSHFV-CQSZACIVSA-N -1 3 322.424 3.381 20 30 DGEDHM C[C@@]1(C#N)CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000902590329 619654569 /nfs/dbraw/zinc/65/45/69/619654569.db2.gz WGOBTWKFOBLZOI-LJQANCHMSA-N -1 3 322.364 3.406 20 30 DGEDHM C=CC[C@H]1CCN(Cc2occ(C(F)(F)F)c2C(=O)[O-])C1 ZINC000903910181 619833083 /nfs/dbraw/zinc/83/30/83/619833083.db2.gz QABHPOHPIBNJGG-VIFPVBQESA-N -1 3 303.280 3.395 20 30 DGEDHM O=C(C1SCCS1)N([O-])Cc1cccc2ccccc21 ZINC000904171940 619891394 /nfs/dbraw/zinc/89/13/94/619891394.db2.gz VLYWYANVGABRGW-UHFFFAOYSA-N -1 3 305.424 3.364 20 30 DGEDHM O=C([C@@H]1C[C@H]2CC(=O)[C@@H]1C2)N([O-])Cc1cccc2ccccc21 ZINC000904172738 619892245 /nfs/dbraw/zinc/89/22/45/619892245.db2.gz KENDMRNCHRIWQQ-JCURWCKSSA-N -1 3 309.365 3.173 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000904206923 619893416 /nfs/dbraw/zinc/89/34/16/619893416.db2.gz MFDLWRIYOGJUCN-UHFFFAOYSA-N -1 3 302.374 3.281 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000904208361 619893467 /nfs/dbraw/zinc/89/34/67/619893467.db2.gz VZOXCEDHMZLVRA-CYBMUJFWSA-N -1 3 324.446 3.073 20 30 DGEDHM Cc1c(C(=O)N([O-])Cc2ccccc2Cl)cnn1C(C)C ZINC000904191486 619895166 /nfs/dbraw/zinc/89/51/66/619895166.db2.gz ZXRAHXUAPWBINT-UHFFFAOYSA-N -1 3 307.781 3.457 20 30 DGEDHM O=C([C@@H]1CCOC2(CCC2)C1)N([O-])Cc1ccccc1Cl ZINC000904192339 619895722 /nfs/dbraw/zinc/89/57/22/619895722.db2.gz IRVVXLCWIMCHLS-GFCCVEGCSA-N -1 3 309.793 3.407 20 30 DGEDHM C[C@H](CC(=O)N([O-])CCCCc1ccccc1)n1cccn1 ZINC000904195558 619896111 /nfs/dbraw/zinc/89/61/11/619896111.db2.gz IKGZUWJAULCMGI-OAHLLOKOSA-N -1 3 301.390 3.075 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000904216060 619898524 /nfs/dbraw/zinc/89/85/24/619898524.db2.gz WJEWIXZDMLUHGD-JOCQHMNTSA-N -1 3 314.426 3.088 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cc(F)ccc2F)c1[O-] ZINC000915112857 620568361 /nfs/dbraw/zinc/56/83/61/620568361.db2.gz IUXWXYIXOBUSEF-FCRYFJGDSA-N -1 3 306.312 3.046 20 30 DGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccccc1C(F)(F)F ZINC000915939792 620609250 /nfs/dbraw/zinc/60/92/50/620609250.db2.gz VSWYIDNKKVYPEA-UHFFFAOYSA-N -1 3 321.258 3.179 20 30 DGEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1ccco1 ZINC000916368864 620626876 /nfs/dbraw/zinc/62/68/76/620626876.db2.gz RZGQGUOEDBVODT-UHFFFAOYSA-N -1 3 316.411 3.334 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1ccc2c(c1)OCCO2 ZINC000920942141 620828495 /nfs/dbraw/zinc/82/84/95/620828495.db2.gz NNSKZJFSKKAPTL-ODLFYWEKSA-N -1 3 317.772 3.478 20 30 DGEDHM CC(C)(C)C1N=NC(=S)N1N=Cc1c([O-])cccc1Cl ZINC000755518364 620883836 /nfs/dbraw/zinc/88/38/36/620883836.db2.gz JLLIMSVRPXJMTJ-UHFFFAOYSA-N -1 3 310.810 3.106 20 30 DGEDHM N#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000921544327 620905780 /nfs/dbraw/zinc/90/57/80/620905780.db2.gz AGMPHRZDULUEAW-OAHLLOKOSA-N -1 3 304.365 3.053 20 30 DGEDHM C=CCCO[N-]C(=O)CCCc1cccc(Br)c1 ZINC000856033021 620955302 /nfs/dbraw/zinc/95/53/02/620955302.db2.gz WIFJFCJZMXSBOJ-UHFFFAOYSA-N -1 3 312.207 3.396 20 30 DGEDHM C[C@@H]1CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CN1C1CC1 ZINC000753954735 621473941 /nfs/dbraw/zinc/47/39/41/621473941.db2.gz GXUSSWRCPQCIEM-SECBINFHSA-N -1 3 307.781 3.063 20 30 DGEDHM C[C@]1(C#N)CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862319778 621574204 /nfs/dbraw/zinc/57/42/04/621574204.db2.gz LRVMNITWTJYRQT-CQSZACIVSA-N -1 3 309.207 3.280 20 30 DGEDHM CC(C)CN(CCC#N)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000755670245 621585046 /nfs/dbraw/zinc/58/50/46/621585046.db2.gz FMHXEJMEUTXLJJ-UHFFFAOYSA-N -1 3 324.384 3.453 20 30 DGEDHM O=c1[nH]c(NN=Cc2c([O-])cccc2Cl)nc2ccccc12 ZINC000755766339 621592297 /nfs/dbraw/zinc/59/22/97/621592297.db2.gz MSGDZYFPGAZZLS-UHFFFAOYSA-N -1 3 314.732 3.140 20 30 DGEDHM C#CC[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000862571888 621602755 /nfs/dbraw/zinc/60/27/55/621602755.db2.gz YTETUQOFHKDDCS-QGZVFWFLSA-N -1 3 319.404 3.468 20 30 DGEDHM CCc1ccc([O-])c(C(=O)N(C)CCc2cccc(C#N)c2)c1 ZINC000863437010 621673404 /nfs/dbraw/zinc/67/34/04/621673404.db2.gz VCJGVZHYNNCPGD-UHFFFAOYSA-N -1 3 308.381 3.141 20 30 DGEDHM CC1(C)CCCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000757584989 621726752 /nfs/dbraw/zinc/72/67/52/621726752.db2.gz VRMFALGANCLBCK-UHFFFAOYSA-N -1 3 308.447 3.105 20 30 DGEDHM [O-]c1cc(Cl)c(C=NNCCN2CCCCC2)cc1Cl ZINC000758106892 621758051 /nfs/dbraw/zinc/75/80/51/621758051.db2.gz KFFWOUUJNBJCHY-UHFFFAOYSA-N -1 3 316.232 3.108 20 30 DGEDHM Cc1cc(N)ccc1C(C)N=Nc1nc2ccccc2c(=O)[n-]1 ZINC000758115797 621758556 /nfs/dbraw/zinc/75/85/56/621758556.db2.gz AOSPZHNMVFRMJD-UHFFFAOYSA-N -1 3 307.357 3.062 20 30 DGEDHM CS[C@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000864346932 621759209 /nfs/dbraw/zinc/75/92/09/621759209.db2.gz HFTQKKHVWDRDCR-UCENCCDJSA-N -1 3 300.221 3.468 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)[N-]c3ncc(C#N)s3)on2)cc1 ZINC000759136601 621828057 /nfs/dbraw/zinc/82/80/57/621828057.db2.gz STNQGSBLUHDEBU-UHFFFAOYSA-N -1 3 310.338 3.231 20 30 DGEDHM CC(C)[C@@H]1CCCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000764700162 622214100 /nfs/dbraw/zinc/21/41/00/622214100.db2.gz VTPQJXRBIMIHEO-INIZCTEOSA-N -1 3 322.474 3.351 20 30 DGEDHM CCCCCCCS(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000789737763 625560514 /nfs/dbraw/zinc/56/05/14/625560514.db2.gz JFPQTUYXROCYJH-UHFFFAOYSA-N -1 3 311.451 3.141 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000869701111 622392817 /nfs/dbraw/zinc/39/28/17/622392817.db2.gz BUCXTJZUDZYBGE-LBPRGKRZSA-N -1 3 321.726 3.230 20 30 DGEDHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)[N-]Oc2cccc(C#N)c2)o1 ZINC000870693700 622497550 /nfs/dbraw/zinc/49/75/50/622497550.db2.gz QUCFYFMSJXLHCG-LRDDRELGSA-N -1 3 310.353 3.317 20 30 DGEDHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]Oc2cccc(C#N)c2)o1 ZINC000870693701 622497639 /nfs/dbraw/zinc/49/76/39/622497639.db2.gz QUCFYFMSJXLHCG-MLGOLLRUSA-N -1 3 310.353 3.317 20 30 DGEDHM C[C@@H](C#N)CN(Cc1cc(Br)ccc1[O-])C1CC1 ZINC000769545965 622539676 /nfs/dbraw/zinc/53/96/76/622539676.db2.gz SISVQTGHQVVSQP-JTQLQIEISA-N -1 3 309.207 3.279 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CC(C)(C)c3ccccc32)c1[O-] ZINC000769773365 622559037 /nfs/dbraw/zinc/55/90/37/622559037.db2.gz DNSYNIGIDMOPDA-LYUVJKPTSA-N -1 3 310.397 3.429 20 30 DGEDHM COc1ccc(C#N)cc1CO[N-]C(=O)CCC1CCCCC1 ZINC000770693492 622661590 /nfs/dbraw/zinc/66/15/90/622661590.db2.gz UYUUTCBXKGIREI-UHFFFAOYSA-N -1 3 316.401 3.475 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCCS1 ZINC000129347762 625593011 /nfs/dbraw/zinc/59/30/11/625593011.db2.gz LGYDEAMRUBBTMK-LLUUXILJSA-N -1 3 300.221 3.469 20 30 DGEDHM COc1cc(C=NN[C@@H]2CCCCC2(C)C)c([N+](=O)[O-])cc1[O-] ZINC000773125526 622988460 /nfs/dbraw/zinc/98/84/60/622988460.db2.gz NDTVKJCXKNMTJS-OAHLLOKOSA-N -1 3 321.377 3.201 20 30 DGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C(C)(C)C)nn1 ZINC000790215412 625618545 /nfs/dbraw/zinc/61/85/45/625618545.db2.gz QQROFBYBZGWZAP-MKVDPYIPSA-N -1 3 315.348 3.261 20 30 DGEDHM COC(=O)N1CCC[C@H]([C@H](C)/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000773909020 623087487 /nfs/dbraw/zinc/08/74/87/623087487.db2.gz YTBQNHMSWPGFCA-PWYFUHBBSA-N -1 3 324.808 3.331 20 30 DGEDHM Cc1cc(=O)[n-]c(CSCc2ccc(Cl)cc2C#N)n1 ZINC000774541259 623158146 /nfs/dbraw/zinc/15/81/46/623158146.db2.gz RAFADQRICXQXPK-UHFFFAOYSA-N -1 3 305.790 3.449 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1C[C@@H]1C(C)C ZINC000774847600 623198641 /nfs/dbraw/zinc/19/86/41/623198641.db2.gz IFSMJXKNRWTNST-UKRRQHHQSA-N -1 3 316.401 3.044 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1C[C@@H]1C(C)C ZINC000774847597 623198929 /nfs/dbraw/zinc/19/89/29/623198929.db2.gz IFSMJXKNRWTNST-DZGCQCFKSA-N -1 3 316.401 3.044 20 30 DGEDHM N#Cc1cccc(COC(=O)c2cc(-c3ccco3)[n-]n2)c1F ZINC000774912887 623208047 /nfs/dbraw/zinc/20/80/47/623208047.db2.gz GRVYOSGLCKVZLP-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM N#Cc1cccc(COC(=O)c2cc(-c3ccco3)n[n-]2)c1F ZINC000774912887 623208052 /nfs/dbraw/zinc/20/80/52/623208052.db2.gz GRVYOSGLCKVZLP-UHFFFAOYSA-N -1 3 311.272 3.037 20 30 DGEDHM N#Cc1ccc(OCCOC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775933546 623352786 /nfs/dbraw/zinc/35/27/86/623352786.db2.gz PQNFTAKGSUWMFJ-UHFFFAOYSA-N -1 3 317.728 3.153 20 30 DGEDHM N#Cc1ccccc1OCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775933095 623352916 /nfs/dbraw/zinc/35/29/16/623352916.db2.gz GINVOYAEYJJRRY-UHFFFAOYSA-N -1 3 317.728 3.153 20 30 DGEDHM N#Cc1cc(COC(=O)c2cccc(Cl)c2[O-])ccc1F ZINC000775934606 623354238 /nfs/dbraw/zinc/35/42/38/623354238.db2.gz AQUQQCZJDNVVGQ-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM CCOc1cc(C=NNc2ccc(OC)cn2)cc(Cl)c1[O-] ZINC000780267652 623900791 /nfs/dbraw/zinc/90/07/91/623900791.db2.gz NHLHXYVZDFTSKM-UHFFFAOYSA-N -1 3 321.764 3.294 20 30 DGEDHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCN1C1CCCCC1 ZINC000130130372 625817144 /nfs/dbraw/zinc/81/71/44/625817144.db2.gz LSRZMSRCSQAUDJ-BKQORJHRSA-N -1 3 320.820 3.398 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3ccc(Cl)nc3)[nH]c21 ZINC000802089841 626431023 /nfs/dbraw/zinc/43/10/23/626431023.db2.gz VFMDGZKPVXYYMD-LLVKDONJSA-N -1 3 310.744 3.410 20 30 DGEDHM C=CCCC[C@@H](NCc1cc(C(=O)[O-])nn1C)c1ccccc1 ZINC000883517661 626696130 /nfs/dbraw/zinc/69/61/30/626696130.db2.gz CHVNXEIKAQKJHF-MRXNPFEDSA-N -1 3 313.401 3.306 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCc1cscn1 ZINC000134846961 626888673 /nfs/dbraw/zinc/88/86/73/626888673.db2.gz WOSUQKJVTOLWTL-MKMNVTDBSA-N -1 3 311.204 3.273 20 30 DGEDHM C=C(C)C(C)(C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884555872 626903024 /nfs/dbraw/zinc/90/30/24/626903024.db2.gz CDAYZVPNKXTIBE-UHFFFAOYSA-N -1 3 302.330 3.088 20 30 DGEDHM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](C/N=C/c1cc(Cl)ccc1[O-])O2 ZINC000887272082 627239555 /nfs/dbraw/zinc/23/95/55/627239555.db2.gz GHANMGATIJQUOB-PRUOUDAHSA-N -1 3 323.820 3.437 20 30 DGEDHM COc1cc(Cl)ccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184506 627254383 /nfs/dbraw/zinc/25/43/83/627254383.db2.gz PJROVMCTDUWURB-UHFFFAOYSA-N -1 3 317.728 3.283 20 30 DGEDHM C[C@H]1C(N=Nc2ccccc2C(=O)[O-])CCN1Cc1ccccc1 ZINC000811635784 627297107 /nfs/dbraw/zinc/29/71/07/627297107.db2.gz LQODHFWPTCTAGR-AWEZNQCLSA-N -1 3 323.396 3.447 20 30 DGEDHM COc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1O ZINC000811697599 627307062 /nfs/dbraw/zinc/30/70/62/627307062.db2.gz FWQDIVVNZSPGBU-HYXAFXHYSA-N -1 3 306.264 3.281 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cncc(C(F)(F)F)c2)c1 ZINC000812592723 627400829 /nfs/dbraw/zinc/40/08/29/627400829.db2.gz CBJOQBZAXHNNOP-UHFFFAOYSA-N -1 3 322.242 3.035 20 30 DGEDHM COC(=O)[C@H](Cc1ccccc1)/N=C/c1cc(Cl)ccc1[O-] ZINC000005334674 627559662 /nfs/dbraw/zinc/55/96/62/627559662.db2.gz NQKFNKZARDKNBJ-BKQORJHRSA-N -1 3 317.772 3.249 20 30 DGEDHM CC[C@H](NCc1cn2ccc(C)cc2n1)c1cccc(C#N)c1[O-] ZINC000924950177 627696323 /nfs/dbraw/zinc/69/63/23/627696323.db2.gz OGNDZNDNQWQEMX-KRWDZBQOSA-N -1 3 320.396 3.461 20 30 DGEDHM C[C@@H](NCc1nc2c(s1)CCCC2)c1cccc(C#N)c1[O-] ZINC000926919590 627981192 /nfs/dbraw/zinc/98/11/92/627981192.db2.gz PFVMCTOJHIDVBE-LLVKDONJSA-N -1 3 313.426 3.450 20 30 DGEDHM C#CCCCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819693421 628180171 /nfs/dbraw/zinc/18/01/71/628180171.db2.gz RSIAEMCJVYTIPJ-UHFFFAOYSA-N -1 3 309.295 3.101 20 30 DGEDHM C#CCCCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819693421 628180175 /nfs/dbraw/zinc/18/01/75/628180175.db2.gz RSIAEMCJVYTIPJ-UHFFFAOYSA-N -1 3 309.295 3.101 20 30 DGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1 ZINC000819773525 628188412 /nfs/dbraw/zinc/18/84/12/628188412.db2.gz SSVJNBWFDYLBHF-LBPRGKRZSA-N -1 3 306.373 3.458 20 30 DGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccccc1 ZINC000819773525 628188414 /nfs/dbraw/zinc/18/84/14/628188414.db2.gz SSVJNBWFDYLBHF-LBPRGKRZSA-N -1 3 306.373 3.458 20 30 DGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1 ZINC000819773916 628189213 /nfs/dbraw/zinc/18/92/13/628189213.db2.gz XHBOKEAAHXVMRM-CYBMUJFWSA-N -1 3 320.400 3.136 20 30 DGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC000819773916 628189217 /nfs/dbraw/zinc/18/92/17/628189217.db2.gz XHBOKEAAHXVMRM-CYBMUJFWSA-N -1 3 320.400 3.136 20 30 DGEDHM CC(C)c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820192144 628232847 /nfs/dbraw/zinc/23/28/47/628232847.db2.gz FKJJYNCTQCFXRR-UHFFFAOYSA-N -1 3 320.400 3.114 20 30 DGEDHM CC(C)c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820192144 628232850 /nfs/dbraw/zinc/23/28/50/628232850.db2.gz FKJJYNCTQCFXRR-UHFFFAOYSA-N -1 3 320.400 3.114 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCC(C)(C)C1 ZINC000820210286 628235305 /nfs/dbraw/zinc/23/53/05/628235305.db2.gz ZKOAMWGVMPUPHW-ZDUSSCGKSA-N -1 3 316.401 3.330 20 30 DGEDHM CC(C=NNCc1ccc(-c2nnn[n-]2)cc1)=Cc1ccccc1 ZINC000820220362 628236086 /nfs/dbraw/zinc/23/60/86/628236086.db2.gz RXYUZEWMFXGOKE-QUVZVDGRSA-N -1 3 318.384 3.046 20 30 DGEDHM CC(C=NNCc1ccc(-c2nn[n-]n2)cc1)=Cc1ccccc1 ZINC000820220362 628236092 /nfs/dbraw/zinc/23/60/92/628236092.db2.gz RXYUZEWMFXGOKE-QUVZVDGRSA-N -1 3 318.384 3.046 20 30 DGEDHM CC(C=NNCc1ccc(-c2nnn[n-]2)cc1)=Cc1ccccc1 ZINC000820220363 628236210 /nfs/dbraw/zinc/23/62/10/628236210.db2.gz RXYUZEWMFXGOKE-XHOSPMEYSA-N -1 3 318.384 3.046 20 30 DGEDHM CC(C=NNCc1ccc(-c2nn[n-]n2)cc1)=Cc1ccccc1 ZINC000820220363 628236214 /nfs/dbraw/zinc/23/62/14/628236214.db2.gz RXYUZEWMFXGOKE-XHOSPMEYSA-N -1 3 318.384 3.046 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCC[C@H]2CC2(Cl)Cl)c1 ZINC000820527351 628268787 /nfs/dbraw/zinc/26/87/87/628268787.db2.gz LBKQOBPGJHTXDL-JTQLQIEISA-N -1 3 300.141 3.005 20 30 DGEDHM Cc1cc(C)c(NN=Cc2cc(-c3nnn[n-]3)cs2)c(C)c1 ZINC000822194464 628428548 /nfs/dbraw/zinc/42/85/48/628428548.db2.gz YGLKMNXYGBRQKE-UHFFFAOYSA-N -1 3 312.402 3.299 20 30 DGEDHM Cc1cc(C)c(NN=Cc2cc(-c3nn[n-]n3)cs2)c(C)c1 ZINC000822194464 628428550 /nfs/dbraw/zinc/42/85/50/628428550.db2.gz YGLKMNXYGBRQKE-UHFFFAOYSA-N -1 3 312.402 3.299 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822379153 628445840 /nfs/dbraw/zinc/44/58/40/628445840.db2.gz LISBZKUJLJVPGA-IHWYPQMZSA-N -1 3 302.384 3.194 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822379153 628445844 /nfs/dbraw/zinc/44/58/44/628445844.db2.gz LISBZKUJLJVPGA-IHWYPQMZSA-N -1 3 302.384 3.194 20 30 DGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccccc1Cl ZINC000822741003 628487969 /nfs/dbraw/zinc/48/79/69/628487969.db2.gz PTOBGBGBKFFBIF-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccccc1Cl ZINC000822741003 628487971 /nfs/dbraw/zinc/48/79/71/628487971.db2.gz PTOBGBGBKFFBIF-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc(F)cc(F)c1 ZINC000822923416 628509303 /nfs/dbraw/zinc/50/93/03/628509303.db2.gz RFJPTMXRUZVCFM-HNQUOIGGSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc(Cl)c1 ZINC000822922730 628509722 /nfs/dbraw/zinc/50/97/22/628509722.db2.gz IPTYTTFGAMGINA-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc(Cl)c1 ZINC000822922730 628509725 /nfs/dbraw/zinc/50/97/25/628509725.db2.gz IPTYTTFGAMGINA-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM CC(C)(C)c1nnc([N-]C(=O)c2cc(C#N)ccc2F)s1 ZINC000823126219 628528991 /nfs/dbraw/zinc/52/89/91/628528991.db2.gz URJZCDXCTBUYAN-UHFFFAOYSA-N -1 3 304.350 3.099 20 30 DGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(F)cc1 ZINC000823505164 628570526 /nfs/dbraw/zinc/57/05/26/628570526.db2.gz YJCOMCNDMUFZRG-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(F)cc1 ZINC000823505164 628570529 /nfs/dbraw/zinc/57/05/29/628570529.db2.gz YJCOMCNDMUFZRG-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM C#CCCCCCC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823842204 628601659 /nfs/dbraw/zinc/60/16/59/628601659.db2.gz YXRKNGOBORXPAU-ZDUSSCGKSA-N -1 3 312.373 3.055 20 30 DGEDHM C#CCCCCCC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823842204 628601660 /nfs/dbraw/zinc/60/16/60/628601660.db2.gz YXRKNGOBORXPAU-ZDUSSCGKSA-N -1 3 312.373 3.055 20 30 DGEDHM C#CCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000823844609 628602234 /nfs/dbraw/zinc/60/22/34/628602234.db2.gz CYVXFAIJZOJQPB-UHFFFAOYSA-N -1 3 307.382 3.044 20 30 DGEDHM C#CCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000823844609 628602237 /nfs/dbraw/zinc/60/22/37/628602237.db2.gz CYVXFAIJZOJQPB-UHFFFAOYSA-N -1 3 307.382 3.044 20 30 DGEDHM C=CCCC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823888671 628607394 /nfs/dbraw/zinc/60/73/94/628607394.db2.gz SXHGOODTJDMEOA-UHFFFAOYSA-N -1 3 308.794 3.148 20 30 DGEDHM C=CCCC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823888671 628607397 /nfs/dbraw/zinc/60/73/97/628607397.db2.gz SXHGOODTJDMEOA-UHFFFAOYSA-N -1 3 308.794 3.148 20 30 DGEDHM CC1(C=NNCc2ccc(-c3nnn[n-]3)cc2)CCCCCC1 ZINC000824816369 628697470 /nfs/dbraw/zinc/69/74/70/628697470.db2.gz DMJRZEQZKCBMSC-UHFFFAOYSA-N -1 3 312.421 3.303 20 30 DGEDHM CC1(C=NNCc2ccc(-c3nn[n-]n3)cc2)CCCCCC1 ZINC000824816369 628697472 /nfs/dbraw/zinc/69/74/72/628697472.db2.gz DMJRZEQZKCBMSC-UHFFFAOYSA-N -1 3 312.421 3.303 20 30 DGEDHM CC[C@@H](C)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825059401 628723537 /nfs/dbraw/zinc/72/35/37/628723537.db2.gz FGKBGTDZPVFJDI-MRVPVSSYSA-N -1 3 312.299 3.329 20 30 DGEDHM CC[C@@H](C)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825059401 628723538 /nfs/dbraw/zinc/72/35/38/628723538.db2.gz FGKBGTDZPVFJDI-MRVPVSSYSA-N -1 3 312.299 3.329 20 30 DGEDHM CC[C@H]1CCC[C@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825195375 628737155 /nfs/dbraw/zinc/73/71/55/628737155.db2.gz WTRYNXVURXIYIF-ZFWWWQNUSA-N -1 3 312.421 3.159 20 30 DGEDHM CC[C@H]1CCC[C@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825195375 628737158 /nfs/dbraw/zinc/73/71/58/628737158.db2.gz WTRYNXVURXIYIF-ZFWWWQNUSA-N -1 3 312.421 3.159 20 30 DGEDHM CCCC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)CCC ZINC000825220202 628738881 /nfs/dbraw/zinc/73/88/81/628738881.db2.gz 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/nfs/dbraw/zinc/84/37/21/628843721.db2.gz QVRXNGILKQPZJY-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826306124 628843723 /nfs/dbraw/zinc/84/37/23/628843723.db2.gz QVRXNGILKQPZJY-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM N#CCC[C@H](NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000826381780 628850666 /nfs/dbraw/zinc/85/06/66/628850666.db2.gz YYDGFHLNEJVFHO-AWEZNQCLSA-N -1 3 324.413 3.063 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401460 628851016 /nfs/dbraw/zinc/85/10/16/628851016.db2.gz ZNBJTKJRDMXHAI-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401460 628851019 /nfs/dbraw/zinc/85/10/19/628851019.db2.gz ZNBJTKJRDMXHAI-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000826401036 628851195 /nfs/dbraw/zinc/85/11/95/628851195.db2.gz NOYVGEOXNBTBCX-KRXBUXKQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000826401036 628851198 /nfs/dbraw/zinc/85/11/98/628851198.db2.gz NOYVGEOXNBTBCX-KRXBUXKQSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826400223 628851733 /nfs/dbraw/zinc/85/17/33/628851733.db2.gz SJPMBCBTHNYQCU-ZPUQHVIOSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826400223 628851737 /nfs/dbraw/zinc/85/17/37/628851737.db2.gz SJPMBCBTHNYQCU-ZPUQHVIOSA-N -1 3 320.327 3.458 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1c[nH]c2ccccc12 ZINC000826402221 628851827 /nfs/dbraw/zinc/85/18/27/628851827.db2.gz OZJMPJBDLRSSCW-MDZDMXLPSA-N -1 3 315.336 3.244 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1c[nH]c2ccccc12 ZINC000826402221 628851831 /nfs/dbraw/zinc/85/18/31/628851831.db2.gz OZJMPJBDLRSSCW-MDZDMXLPSA-N -1 3 315.336 3.244 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475844 628853129 /nfs/dbraw/zinc/85/31/29/628853129.db2.gz SOLIAYMPDMCCIA-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2cc(F)ccc2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475844 628853130 /nfs/dbraw/zinc/85/31/30/628853130.db2.gz SOLIAYMPDMCCIA-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM CCCN(Cc1cc(F)ccc1C#N)C1CCN(C(=O)[O-])CC1 ZINC000826912134 628903002 /nfs/dbraw/zinc/90/30/02/628903002.db2.gz QONAUBORSHJYDE-UHFFFAOYSA-N -1 3 319.380 3.052 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000828019273 629015350 /nfs/dbraw/zinc/01/53/50/629015350.db2.gz SPSPFUCHOYTPPE-MLGOLLRUSA-N -1 3 322.355 3.376 20 30 DGEDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829497230 629162662 /nfs/dbraw/zinc/16/26/62/629162662.db2.gz ZJQRWNOPUCLDKH-GOSISDBHSA-N -1 3 324.380 3.302 20 30 DGEDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000829497230 629162664 /nfs/dbraw/zinc/16/26/64/629162664.db2.gz ZJQRWNOPUCLDKH-GOSISDBHSA-N -1 3 324.380 3.302 20 30 DGEDHM CCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830063845 629221500 /nfs/dbraw/zinc/22/15/00/629221500.db2.gz KDMFMPSEDRWJSC-ACJLOTCBSA-N -1 3 324.380 3.433 20 30 DGEDHM C#CCCN(CC(F)(F)F)C(=O)c1cc(SC)ccc1[O-] ZINC000832276365 629458417 /nfs/dbraw/zinc/45/84/17/629458417.db2.gz UHPNGCPZQFLBFS-UHFFFAOYSA-N -1 3 317.332 3.142 20 30 DGEDHM CC[C@H](C#N)Oc1cccc(CNCc2ccc(C(=O)[O-])cc2)c1 ZINC000833636526 629633851 /nfs/dbraw/zinc/63/38/51/629633851.db2.gz VEKRUFCWKUVFHV-QGZVFWFLSA-N -1 3 324.380 3.356 20 30 DGEDHM CC(C)C[C@@H](CNC(=O)[O-])N[C@@H](C)c1ccc(C#N)cc1F ZINC000833794609 629651013 /nfs/dbraw/zinc/65/10/13/629651013.db2.gz LTDQOHBJLBNMJD-AAEUAGOBSA-N -1 3 307.369 3.030 20 30 DGEDHM C=CCO[N-]C(=O)CCCCc1ccc(Br)cc1 ZINC000837043335 630206210 /nfs/dbraw/zinc/20/62/10/630206210.db2.gz AGERBJRHYHOCPY-UHFFFAOYSA-N -1 3 312.207 3.396 20 30 DGEDHM C[C@@H]1C[C@@H](/N=C\c2cc(Br)ccc2[O-])CS1 ZINC000840711511 630350960 /nfs/dbraw/zinc/35/09/60/630350960.db2.gz RHLUOSWNYVUPHE-MPBFFVLESA-N -1 3 300.221 3.468 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(-n3cccn3)cc2)ccc1[O-] ZINC000844153226 630710878 /nfs/dbraw/zinc/71/08/78/630710878.db2.gz YQMKCVLEUCZPIE-UITAMQMPSA-N -1 3 320.348 3.483 20 30 DGEDHM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000844661050 630762668 /nfs/dbraw/zinc/76/26/68/630762668.db2.gz XHRJJLNZVBTMKE-CHWSQXEVSA-N -1 3 310.419 3.298 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1cc(Br)ccc1F ZINC000846536585 631256291 /nfs/dbraw/zinc/25/62/91/631256291.db2.gz RCWKSTUFABSVHM-UHFFFAOYSA-N -1 3 316.170 3.145 20 30 DGEDHM C=C(C)CO[N-]C(=O)CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000846533465 631256429 /nfs/dbraw/zinc/25/64/29/631256429.db2.gz JDJUUKDJGSMDLT-INIZCTEOSA-N -1 3 305.418 3.422 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(C)(C)C(C)C ZINC000847940900 631582144 /nfs/dbraw/zinc/58/21/44/631582144.db2.gz FJMCVIHWSHFPJY-UHFFFAOYSA-N -1 3 318.417 3.434 20 30 DGEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(C2CCCCC2)CCCCC1 ZINC000848134210 631616465 /nfs/dbraw/zinc/61/64/65/631616465.db2.gz PNSGOYMIFTUSEM-HNNXBMFYSA-N -1 3 322.449 3.014 20 30 DGEDHM CCOC(=O)C[C@H](/N=C\c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000849171149 631852439 /nfs/dbraw/zinc/85/24/39/631852439.db2.gz YUFUPNPIYCQTHF-ITBPYLDQSA-N -1 3 323.698 3.349 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1COC2(CCC2)C1 ZINC000849172193 631852523 /nfs/dbraw/zinc/85/25/23/631852523.db2.gz NYNJWXILMUHZCN-GGNJANJASA-N -1 3 310.191 3.285 20 30 DGEDHM C=CC[C@@H]1CCCC[C@@H]1OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000851142862 632321944 /nfs/dbraw/zinc/32/19/44/632321944.db2.gz ZRYBRXJCNBPNOW-HIFRSBDPSA-N -1 3 304.390 3.020 20 30 DGEDHM C#C[C@](C)(CC)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000852104047 632556436 /nfs/dbraw/zinc/55/64/36/632556436.db2.gz ZJNDYBHYZRDJTD-MRXNPFEDSA-N -1 3 305.761 3.044 20 30 DGEDHM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000091013254 660387932 /nfs/dbraw/zinc/38/79/32/660387932.db2.gz QGOINUASYNTTJG-UHFFFAOYSA-N -1 3 315.394 3.256 20 30 DGEDHM [O-]c1c(O)ccc(C=Nc2ccc(OC(F)(F)F)cc2)c1O ZINC000255829505 660489010 /nfs/dbraw/zinc/48/90/10/660489010.db2.gz JVSITAVHTGSKSR-UHFFFAOYSA-N -1 3 313.231 3.453 20 30 DGEDHM COC(=O)c1cc(NN=Cc2ccc([O-])c(F)c2)ccc1C ZINC000793097559 661004607 /nfs/dbraw/zinc/00/46/07/661004607.db2.gz KFTYTDCVRDSYCX-UHFFFAOYSA-N -1 3 302.305 3.072 20 30 DGEDHM COC(=O)c1csc(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1 ZINC000794724062 661101774 /nfs/dbraw/zinc/10/17/74/661101774.db2.gz NGMYTUWVTRSSAH-DUXPYHPUSA-N -1 3 324.304 3.415 20 30 DGEDHM COC(=O)c1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794940897 661115321 /nfs/dbraw/zinc/11/53/21/661115321.db2.gz FCOMTVPVGVDKPN-VURMDHGXSA-N -1 3 318.275 3.353 20 30 DGEDHM O=C1C/C(=C/c2c(F)ccc([O-])c2F)C(=O)c2ccccc2N1 ZINC000794945659 661115529 /nfs/dbraw/zinc/11/55/29/661115529.db2.gz NXFLYYGHVIMNFX-CLFYSBASSA-N -1 3 315.275 3.279 20 30 DGEDHM CC(=NNCc1ccccc1N(C)C)c1ccc([O-])cc1F ZINC000794953139 661116324 /nfs/dbraw/zinc/11/63/24/661116324.db2.gz XMSSCRQAUNFTMT-UHFFFAOYSA-N -1 3 301.365 3.111 20 30 DGEDHM O=S1(=O)CCc2ccc(N=Cc3cc(Cl)ccc3[O-])cc21 ZINC000255119116 655604127 /nfs/dbraw/zinc/60/41/27/655604127.db2.gz IYVMMYCLEURZAO-UHFFFAOYSA-N -1 3 321.785 3.126 20 30 DGEDHM CN(Cc1ccccc1)C(=O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000255366762 655709689 /nfs/dbraw/zinc/70/96/89/655709689.db2.gz WRGGBKOTOVKDLK-GRSHGNNSSA-N -1 3 316.788 3.123 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccccc2OC(F)F)c1 ZINC000811187185 661231130 /nfs/dbraw/zinc/23/11/30/661231130.db2.gz APQUTDVJUVHMDZ-UHFFFAOYSA-N -1 3 319.263 3.222 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCN(c2ncccc2F)C1 ZINC000255842364 657082573 /nfs/dbraw/zinc/08/25/73/657082573.db2.gz RYRQWUUKUKQWPA-HHGUGQKFSA-N -1 3 319.767 3.278 20 30 DGEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)s1 ZINC000127550154 658160144 /nfs/dbraw/zinc/16/01/44/658160144.db2.gz MEBRVMHVBLIJPM-ZDUSSCGKSA-N -1 3 313.382 3.030 20 30 DGEDHM CC(=O)c1cc(F)cc(CN(C)Cc2cccc(C#N)c2)c1[O-] ZINC000171137295 659262330 /nfs/dbraw/zinc/26/23/30/659262330.db2.gz FTSWQGSGFIGFFP-UHFFFAOYSA-N -1 3 312.344 3.238 20 30 DGEDHM C#Cc1cccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c1 ZINC000155209905 661843446 /nfs/dbraw/zinc/84/34/46/661843446.db2.gz VSHJXISBTXQLES-UHFFFAOYSA-N -1 3 320.323 3.209 20 30 DGEDHM CCCCCCC[C@H](C)CNc1ncncc1-c1nnn[n-]1 ZINC001577505945 1191906239 /nfs/dbraw/zinc/90/62/39/1191906239.db2.gz PHXKTQJLXZMGOJ-LBPRGKRZSA-N -1 3 303.414 3.065 20 30 DGEDHM C=C(Cl)COc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588448320 1192447326 /nfs/dbraw/zinc/44/73/26/1192447326.db2.gz VQFQMNNJYDYPCQ-UHFFFAOYSA-N -1 3 304.659 3.017 20 30 DGEDHM C=C(Cl)COc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588448320 1192447328 /nfs/dbraw/zinc/44/73/28/1192447328.db2.gz VQFQMNNJYDYPCQ-UHFFFAOYSA-N -1 3 304.659 3.017 20 30 DGEDHM C=CC(C)(C)CCNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588489054 1192448518 /nfs/dbraw/zinc/44/85/18/1192448518.db2.gz WAOZPJCBMVXUBG-UHFFFAOYSA-N -1 3 306.801 3.238 20 30 DGEDHM C=CC(C)(C)CCNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588489054 1192448521 /nfs/dbraw/zinc/44/85/21/1192448521.db2.gz WAOZPJCBMVXUBG-UHFFFAOYSA-N -1 3 306.801 3.238 20 30 DGEDHM C=CCCCC(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001588594918 1192451935 /nfs/dbraw/zinc/45/19/35/1192451935.db2.gz VUHZMMJUMCQUGH-UHFFFAOYSA-N -1 3 300.362 3.054 20 30 DGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)cc1C ZINC001588780778 1192454286 /nfs/dbraw/zinc/45/42/86/1192454286.db2.gz NSVPNFOVCUBRBC-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(C)(C)[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001589102286 1192458726 /nfs/dbraw/zinc/45/87/26/1192458726.db2.gz HIBFNDHBSJCMPS-ZDUSSCGKSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)(C)[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001589102286 1192458728 /nfs/dbraw/zinc/45/87/28/1192458728.db2.gz HIBFNDHBSJCMPS-ZDUSSCGKSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)Oc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001589753804 1192472521 /nfs/dbraw/zinc/47/25/21/1192472521.db2.gz GYMKJAFEQYVVRI-UHFFFAOYSA-N -1 3 322.372 3.100 20 30 DGEDHM CC(C)Oc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001589753804 1192472523 /nfs/dbraw/zinc/47/25/23/1192472523.db2.gz GYMKJAFEQYVVRI-UHFFFAOYSA-N -1 3 322.372 3.100 20 30 DGEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1cc(F)ccc1C#N ZINC001590045945 1192484708 /nfs/dbraw/zinc/48/47/08/1192484708.db2.gz DWEQKAMRHVUTKW-NSHDSACASA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1cc(F)ccc1C#N ZINC001590045945 1192484710 /nfs/dbraw/zinc/48/47/10/1192484710.db2.gz DWEQKAMRHVUTKW-NSHDSACASA-N -1 3 322.347 3.075 20 30 DGEDHM CC1(CN=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC001590119648 1192489658 /nfs/dbraw/zinc/48/96/58/1192489658.db2.gz DTYCFKNBRLCPSL-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC1(CN=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1 ZINC001590119648 1192489662 /nfs/dbraw/zinc/48/96/62/1192489662.db2.gz DTYCFKNBRLCPSL-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM CCC(=NOCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359799 1192502683 /nfs/dbraw/zinc/50/26/83/1192502683.db2.gz OWMUWDNDLITRTI-UHFFFAOYSA-N -1 3 307.357 3.198 20 30 DGEDHM CCC(=NOCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359799 1192502686 /nfs/dbraw/zinc/50/26/86/1192502686.db2.gz OWMUWDNDLITRTI-UHFFFAOYSA-N -1 3 307.357 3.198 20 30 DGEDHM CC[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001590420289 1192508057 /nfs/dbraw/zinc/50/80/57/1192508057.db2.gz VXGHXQLEWUOOJP-HNNXBMFYSA-N -1 3 320.400 3.136 20 30 DGEDHM CC[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001590420289 1192508068 /nfs/dbraw/zinc/50/80/68/1192508068.db2.gz VXGHXQLEWUOOJP-HNNXBMFYSA-N -1 3 320.400 3.136 20 30 DGEDHM CCCCCCC[C@H](C)CNc1cc(-c2nnn[n-]2)cnn1 ZINC001590592703 1192527949 /nfs/dbraw/zinc/52/79/49/1192527949.db2.gz FNJJRFXAEIZPID-LBPRGKRZSA-N -1 3 303.414 3.065 20 30 DGEDHM CCCCCCC[C@H](C)CNc1cc(-c2nn[n-]n2)cnn1 ZINC001590592703 1192527953 /nfs/dbraw/zinc/52/79/53/1192527953.db2.gz FNJJRFXAEIZPID-LBPRGKRZSA-N -1 3 303.414 3.065 20 30 DGEDHM CCCCCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001590592540 1192528778 /nfs/dbraw/zinc/52/87/78/1192528778.db2.gz XPIOVRPUGCIDGI-UHFFFAOYSA-N -1 3 316.409 3.349 20 30 DGEDHM CCCCCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001590592540 1192528783 /nfs/dbraw/zinc/52/87/83/1192528783.db2.gz XPIOVRPUGCIDGI-UHFFFAOYSA-N -1 3 316.409 3.349 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001591576326 1192566944 /nfs/dbraw/zinc/56/69/44/1192566944.db2.gz JBUNZLBRBCOVRM-CMDGGOBGSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001591576326 1192566947 /nfs/dbraw/zinc/56/69/47/1192566947.db2.gz JBUNZLBRBCOVRM-CMDGGOBGSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)oc1C ZINC001591906944 1192580317 /nfs/dbraw/zinc/58/03/17/1192580317.db2.gz QWQYEVXTCCANDN-HYXAFXHYSA-N -1 3 300.343 3.034 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)oc1C ZINC001591906783 1192580362 /nfs/dbraw/zinc/58/03/62/1192580362.db2.gz HLNWYPFFUDOHEK-GQCTYLIASA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)oc1C ZINC001591906783 1192580366 /nfs/dbraw/zinc/58/03/66/1192580366.db2.gz HLNWYPFFUDOHEK-GQCTYLIASA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)c(C)c1)C2=O ZINC001591960084 1192583401 /nfs/dbraw/zinc/58/34/01/1192583401.db2.gz ZNYBUQVCNGWGBM-ZROIWOOFSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)c(C)c1)C2=O ZINC001591960084 1192583406 /nfs/dbraw/zinc/58/34/06/1192583406.db2.gz ZNYBUQVCNGWGBM-ZROIWOOFSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cc(OCC#Cc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC001592059971 1192590614 /nfs/dbraw/zinc/59/06/14/1192590614.db2.gz PYDQRSZPWLBLTL-UHFFFAOYSA-N -1 3 324.771 3.259 20 30 DGEDHM Cc1cc(Sc2cc(F)ccc2-c2nnn[n-]2)ccc1C#N ZINC001592067969 1192593005 /nfs/dbraw/zinc/59/30/05/1192593005.db2.gz IQUJWTPLMRGFGW-UHFFFAOYSA-N -1 3 311.345 3.337 20 30 DGEDHM Cc1cc(Sc2cc(F)ccc2-c2nn[n-]n2)ccc1C#N ZINC001592067969 1192593009 /nfs/dbraw/zinc/59/30/09/1192593009.db2.gz IQUJWTPLMRGFGW-UHFFFAOYSA-N -1 3 311.345 3.337 20 30 DGEDHM Cc1ccc(CSCCC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001592168222 1192596804 /nfs/dbraw/zinc/59/68/04/1192596804.db2.gz ANKNEZRGIDYLSQ-UHFFFAOYSA-N -1 3 301.419 3.348 20 30 DGEDHM Cc1ccc(CSCCC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001592168222 1192596808 /nfs/dbraw/zinc/59/68/08/1192596808.db2.gz ANKNEZRGIDYLSQ-UHFFFAOYSA-N -1 3 301.419 3.348 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1C ZINC001592227219 1192602488 /nfs/dbraw/zinc/60/24/88/1192602488.db2.gz SUGGTSMGTCJZLD-KHPPLWFESA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1C ZINC001592227219 1192602491 /nfs/dbraw/zinc/60/24/91/1192602491.db2.gz SUGGTSMGTCJZLD-KHPPLWFESA-N -1 3 304.353 3.380 20 30 DGEDHM N#CCC[C@@H](Nc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC001592675607 1192625746 /nfs/dbraw/zinc/62/57/46/1192625746.db2.gz XQPCOCRHWMYWRK-OAHLLOKOSA-N -1 3 322.347 3.463 20 30 DGEDHM N#CCC[C@@H](Nc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC001592675607 1192625749 /nfs/dbraw/zinc/62/57/49/1192625749.db2.gz XQPCOCRHWMYWRK-OAHLLOKOSA-N -1 3 322.347 3.463 20 30 DGEDHM N#C[C@H](Sc1cccc(F)c1-c1nnn[n-]1)C1CCCC1 ZINC001592668583 1192626661 /nfs/dbraw/zinc/62/66/61/1192626661.db2.gz GBTOVHDSEDJNSX-LBPRGKRZSA-N -1 3 303.366 3.180 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593376438 1192630499 /nfs/dbraw/zinc/63/04/99/1192630499.db2.gz MTHTYGHNYASORX-XYOKQWHBSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593376438 1192630505 /nfs/dbraw/zinc/63/05/05/1192630505.db2.gz MTHTYGHNYASORX-XYOKQWHBSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593379057 1192631016 /nfs/dbraw/zinc/63/10/16/1192631016.db2.gz AJLVWBYIOCQBBP-WQLSENKSSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cccc(Cl)c2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593379057 1192631018 /nfs/dbraw/zinc/63/10/18/1192631018.db2.gz AJLVWBYIOCQBBP-WQLSENKSSA-N -1 3 322.755 3.343 20 30 DGEDHM CCCCOc1ccc(C(=O)NCc2ccc(C#N)cc2)c([O-])c1 ZINC001182800711 1177820803 /nfs/dbraw/zinc/82/08/03/1177820803.db2.gz SOOLCACKJUYGJI-UHFFFAOYSA-N -1 3 324.380 3.373 20 30 DGEDHM Cc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])cs2)cc1C#N ZINC001600418771 1192848733 /nfs/dbraw/zinc/84/87/33/1192848733.db2.gz GXUSNVXMPCIJNT-NSHDSACASA-N -1 3 300.383 3.477 20 30 DGEDHM N#Cc1cc(F)ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC001601088705 1192917452 /nfs/dbraw/zinc/91/74/52/1192917452.db2.gz DVHHIYODFNFEBQ-IXDOHACOSA-N -1 3 316.376 3.163 20 30 DGEDHM N#Cc1ccc(CN2CCC[C@@H]2CC(=O)[O-])c(C(F)(F)F)c1 ZINC001601100984 1192918441 /nfs/dbraw/zinc/91/84/41/1192918441.db2.gz UJZCTJSCBAMVFQ-GFCCVEGCSA-N -1 3 312.291 3.016 20 30 DGEDHM C=CCCC[C@H](N)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001341804036 1179064462 /nfs/dbraw/zinc/06/44/62/1179064462.db2.gz AMCHLMUDRSSUNG-NSHDSACASA-N -1 3 303.189 3.321 20 30 DGEDHM N#CC(=C([O-])C1=COCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369469 1179422225 /nfs/dbraw/zinc/42/22/25/1179422225.db2.gz WQCBDRHEDLXAEE-SNVBAGLBSA-N -1 3 301.733 3.087 20 30 DGEDHM C(=NNc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001602746426 1192996186 /nfs/dbraw/zinc/99/61/86/1192996186.db2.gz MITACMHMJGKCHX-UHFFFAOYSA-N -1 3 314.352 3.466 20 30 DGEDHM C(=NNc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001602746426 1192996189 /nfs/dbraw/zinc/99/61/89/1192996189.db2.gz MITACMHMJGKCHX-UHFFFAOYSA-N -1 3 314.352 3.466 20 30 DGEDHM C=C1CCC(CNc2cc(C)cc(F)c2-c2nnn[n-]2)CC1 ZINC001602775089 1192996672 /nfs/dbraw/zinc/99/66/72/1192996672.db2.gz GCFMNSVSZOODMY-UHFFFAOYSA-N -1 3 301.369 3.473 20 30 DGEDHM C=C1CCC(CNc2cc(C)cc(F)c2-c2nn[n-]n2)CC1 ZINC001602775089 1192996675 /nfs/dbraw/zinc/99/66/75/1192996675.db2.gz GCFMNSVSZOODMY-UHFFFAOYSA-N -1 3 301.369 3.473 20 30 DGEDHM C=CC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001602811409 1192998112 /nfs/dbraw/zinc/99/81/12/1192998112.db2.gz LUJKBTMAMSETNG-MRVPVSSYSA-N -1 3 308.183 3.006 20 30 DGEDHM C=CC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001602811409 1192998113 /nfs/dbraw/zinc/99/81/13/1192998113.db2.gz LUJKBTMAMSETNG-MRVPVSSYSA-N -1 3 308.183 3.006 20 30 DGEDHM C=CCC1(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001602818373 1192998904 /nfs/dbraw/zinc/99/89/04/1192998904.db2.gz OYHBGLFTPMAYQJ-LBPRGKRZSA-N -1 3 312.373 3.217 20 30 DGEDHM C=CCC1(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001602818373 1192998906 /nfs/dbraw/zinc/99/89/06/1192998906.db2.gz OYHBGLFTPMAYQJ-LBPRGKRZSA-N -1 3 312.373 3.217 20 30 DGEDHM C=CCC[C@@H](Nc1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001602833607 1192999318 /nfs/dbraw/zinc/99/93/18/1192999318.db2.gz RTSLWYFSPSJZQU-OAHLLOKOSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCC[C@@H](Nc1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001602833607 1192999322 /nfs/dbraw/zinc/99/93/22/1192999322.db2.gz RTSLWYFSPSJZQU-OAHLLOKOSA-N -1 3 306.373 3.381 20 30 DGEDHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC001603712489 1193027174 /nfs/dbraw/zinc/02/71/74/1193027174.db2.gz ZPOLSFILFFRXRJ-JTQLQIEISA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC001603712489 1193027177 /nfs/dbraw/zinc/02/71/77/1193027177.db2.gz ZPOLSFILFFRXRJ-JTQLQIEISA-N -1 3 309.304 3.017 20 30 DGEDHM CC1(C)CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001603778536 1193031243 /nfs/dbraw/zinc/03/12/43/1193031243.db2.gz NEAOBZDZLCTWAX-UHFFFAOYSA-N -1 3 324.432 3.391 20 30 DGEDHM CC1(C)CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001603778536 1193031247 /nfs/dbraw/zinc/03/12/47/1193031247.db2.gz NEAOBZDZLCTWAX-UHFFFAOYSA-N -1 3 324.432 3.391 20 30 DGEDHM CCC(CC)N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001604020552 1193044776 /nfs/dbraw/zinc/04/47/76/1193044776.db2.gz XOPPLFUKVTXHLD-UHFFFAOYSA-N -1 3 312.299 3.473 20 30 DGEDHM CCC(CC)N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001604020552 1193044779 /nfs/dbraw/zinc/04/47/79/1193044779.db2.gz XOPPLFUKVTXHLD-UHFFFAOYSA-N -1 3 312.299 3.473 20 30 DGEDHM CCCCCCCNc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001604175748 1193058321 /nfs/dbraw/zinc/05/83/21/1193058321.db2.gz CGFXLYWIGWVVQN-UHFFFAOYSA-N -1 3 317.441 3.164 20 30 DGEDHM CCCCCCCNc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001604175748 1193058323 /nfs/dbraw/zinc/05/83/23/1193058323.db2.gz CGFXLYWIGWVVQN-UHFFFAOYSA-N -1 3 317.441 3.164 20 30 DGEDHM N#CC(=C([O-])c1ccc(CN2CCCCC2)o1)c1ccccn1 ZINC001356240287 1181161906 /nfs/dbraw/zinc/16/19/06/1181161906.db2.gz XKDGKEYORUECCX-OAHLLOKOSA-N -1 3 309.369 3.151 20 30 DGEDHM N#C[C@H]1CC[C@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C1 ZINC001358087019 1181454695 /nfs/dbraw/zinc/45/46/95/1181454695.db2.gz FHEXYRMOMGBZJY-IUCAKERBSA-N -1 3 305.284 3.350 20 30 DGEDHM C=C[C@H](CC)CC(=O)Nc1nc(CCCC)[n-]c1C(=O)OCC ZINC001435887648 1181852736 /nfs/dbraw/zinc/85/27/36/1181852736.db2.gz UZRVEWKEROPHEW-GFCCVEGCSA-N -1 3 321.421 3.470 20 30 DGEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC001605206166 1193127348 /nfs/dbraw/zinc/12/73/48/1193127348.db2.gz SADYVYMAEGTKJN-BJMVGYQFSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC001605206166 1193127354 /nfs/dbraw/zinc/12/73/54/1193127354.db2.gz SADYVYMAEGTKJN-BJMVGYQFSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001605264379 1193136609 /nfs/dbraw/zinc/13/66/09/1193136609.db2.gz KSTYOXZBDGUMAY-FPLPWBNLSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001605264379 1193136614 /nfs/dbraw/zinc/13/66/14/1193136614.db2.gz KSTYOXZBDGUMAY-FPLPWBNLSA-N -1 3 320.352 3.080 20 30 DGEDHM CSc1ccc([O-])c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC001448838310 1182215964 /nfs/dbraw/zinc/21/59/64/1182215964.db2.gz GVJCNLWRKDGWRR-MRXNPFEDSA-N -1 3 324.405 3.403 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)oc1C ZINC001605589103 1193158197 /nfs/dbraw/zinc/15/81/97/1193158197.db2.gz LTPGLWWAHBZDAJ-WAYWQWQTSA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)oc1C ZINC001605589103 1193158201 /nfs/dbraw/zinc/15/82/01/1193158201.db2.gz LTPGLWWAHBZDAJ-WAYWQWQTSA-N -1 3 312.304 3.112 20 30 DGEDHM Cc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1F ZINC001605652308 1193161662 /nfs/dbraw/zinc/16/16/62/1193161662.db2.gz IFDKCONYHZKMLD-AUWJEWJLSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1F ZINC001605652308 1193161670 /nfs/dbraw/zinc/16/16/70/1193161670.db2.gz IFDKCONYHZKMLD-AUWJEWJLSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2[n-]cc(C(=O)Nc3cccc(C#N)c3C)c(=O)c2c1 ZINC001457684749 1182476089 /nfs/dbraw/zinc/47/60/89/1182476089.db2.gz CABKTMDISSURRM-UHFFFAOYSA-N -1 3 317.348 3.269 20 30 DGEDHM CCc1nc(CC(=O)N([O-])CCCCc2ccccc2)cs1 ZINC001457994101 1182489124 /nfs/dbraw/zinc/48/91/24/1182489124.db2.gz PJYNPQQLYSOBRC-UHFFFAOYSA-N -1 3 318.442 3.489 20 30 DGEDHM O=C(c1cc2c[nH]ccc-2n1)N([O-])Cc1ccccc1Cl ZINC001457993918 1182489166 /nfs/dbraw/zinc/48/91/66/1182489166.db2.gz NWRCYLKDXUPUTL-UHFFFAOYSA-N -1 3 301.733 3.248 20 30 DGEDHM C[C@@H](c1ccc(C#N)cc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001460719149 1182712418 /nfs/dbraw/zinc/71/24/18/1182712418.db2.gz DXVPKHYSUPHETE-NSHDSACASA-N -1 3 306.369 3.008 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001463386011 1183022311 /nfs/dbraw/zinc/02/23/11/1183022311.db2.gz CELFBEXQUSCNTJ-NSHDSACASA-N -1 3 303.374 3.296 20 30 DGEDHM FC(F)(F)c1cc(N=NCCCC2CC2)ccc1-c1nnn[n-]1 ZINC001606292133 1193196520 /nfs/dbraw/zinc/19/65/20/1193196520.db2.gz NNGKMRAWEAIGKZ-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM FC(F)(F)c1cc(N=NCCCC2CC2)ccc1-c1nn[n-]n1 ZINC001606292133 1193196522 /nfs/dbraw/zinc/19/65/22/1193196522.db2.gz NNGKMRAWEAIGKZ-UHFFFAOYSA-N -1 3 324.310 3.473 20 30 DGEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001606485755 1193199993 /nfs/dbraw/zinc/19/99/93/1193199993.db2.gz NKOUFGMNVMDIHQ-KTKRTIGZSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001606485755 1193199998 /nfs/dbraw/zinc/19/99/98/1193199998.db2.gz NKOUFGMNVMDIHQ-KTKRTIGZSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1sccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC001606488915 1193200994 /nfs/dbraw/zinc/20/09/94/1193200994.db2.gz WXNPSVSQCWCVPT-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1sccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC001606488915 1193200997 /nfs/dbraw/zinc/20/09/97/1193200997.db2.gz WXNPSVSQCWCVPT-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM N#Cc1cccc(CC(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001472619695 1183656727 /nfs/dbraw/zinc/65/67/27/1183656727.db2.gz CSPOYECQMQGZDT-UHFFFAOYSA-N -1 3 300.745 3.172 20 30 DGEDHM O=C(N([O-])CCCCc1ccccc1)[C@]12C[C@H]1COC21CCC1 ZINC001472619511 1183656965 /nfs/dbraw/zinc/65/69/65/1183656965.db2.gz OMVZVXBZHUFGLE-LPHOPBHVSA-N -1 3 315.413 3.186 20 30 DGEDHM O=C(c1ccc2[nH]c(=O)oc2c1)N([O-])Cc1ccccc1Cl ZINC001472618658 1183657118 /nfs/dbraw/zinc/65/71/18/1183657118.db2.gz BNZYZQHHEWLGGW-UHFFFAOYSA-N -1 3 318.716 3.218 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1ccccc1Br ZINC001472620388 1183657304 /nfs/dbraw/zinc/65/73/04/1183657304.db2.gz AASMEEIKNFLHIB-SNVBAGLBSA-N -1 3 316.195 3.234 20 30 DGEDHM C=C(C[N-]S(=O)(=O)c1ccc(C)c(F)c1F)c1ccccc1 ZINC001475365266 1184000289 /nfs/dbraw/zinc/00/02/89/1184000289.db2.gz VQDNZPNDNGUHBV-UHFFFAOYSA-N -1 3 323.364 3.265 20 30 DGEDHM C=CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccncc1 ZINC001477933653 1184119081 /nfs/dbraw/zinc/11/90/81/1184119081.db2.gz POSLRZXUUDOHPQ-HNNXBMFYSA-N -1 3 315.348 3.043 20 30 DGEDHM O=C([O-])CCN(CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC001608720785 1193301776 /nfs/dbraw/zinc/30/17/76/1193301776.db2.gz DYWWTDJMJUXJGM-UHFFFAOYSA-N -1 3 311.356 3.154 20 30 DGEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2occc2c1 ZINC001609022282 1193321413 /nfs/dbraw/zinc/32/14/13/1193321413.db2.gz HRGRJSKHSCEGCA-UHFFFAOYSA-N -1 3 304.313 3.059 20 30 DGEDHM Cc1ccc(C)c(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001609421046 1193337608 /nfs/dbraw/zinc/33/76/08/1193337608.db2.gz MXYXTCAZXOIELC-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C)c(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001609421046 1193337610 /nfs/dbraw/zinc/33/76/10/1193337610.db2.gz MXYXTCAZXOIELC-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM O=C(C=Cc1c(F)cccc1F)c1ccccc1-c1nnn[n-]1 ZINC001609517831 1193343355 /nfs/dbraw/zinc/34/33/55/1193343355.db2.gz QNAJAIKEEQOEQQ-CMDGGOBGSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1c(F)cccc1F)c1ccccc1-c1nn[n-]n1 ZINC001609517831 1193343357 /nfs/dbraw/zinc/34/33/57/1193343357.db2.gz QNAJAIKEEQOEQQ-CMDGGOBGSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1c(F)cccc1F)c1ccccc1-c1nnn[n-]1 ZINC001609517832 1193343567 /nfs/dbraw/zinc/34/35/67/1193343567.db2.gz QNAJAIKEEQOEQQ-HJWRWDBZSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1c(F)cccc1F)c1ccccc1-c1nn[n-]n1 ZINC001609517832 1193343571 /nfs/dbraw/zinc/34/35/71/1193343571.db2.gz QNAJAIKEEQOEQQ-HJWRWDBZSA-N -1 3 312.279 3.041 20 30 DGEDHM C[C@](CC(=O)[O-])(NCCC1(C#N)CCCCC1)c1ccccn1 ZINC001609729855 1193352556 /nfs/dbraw/zinc/35/25/56/1193352556.db2.gz FHQLIQLPLAYNSB-QGZVFWFLSA-N -1 3 315.417 3.225 20 30 DGEDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N([O-])Cc1ccc(F)cc1 ZINC001611662277 1193439277 /nfs/dbraw/zinc/43/92/77/1193439277.db2.gz AZMUDXFZPZDITP-UHFFFAOYSA-N -1 3 324.695 3.419 20 30 DGEDHM O=C(c1csc([N+](=O)[O-])c1)N([O-])Cc1ccccc1Cl ZINC001611650774 1193439482 /nfs/dbraw/zinc/43/94/82/1193439482.db2.gz JXXPTQBDBRFHEX-UHFFFAOYSA-N -1 3 312.734 3.341 20 30 DGEDHM COc1ccccc1SCC(=O)N([O-])Cc1ccc(F)cc1 ZINC001611667287 1193439741 /nfs/dbraw/zinc/43/97/41/1193439741.db2.gz WSFJHELMXMDMCL-UHFFFAOYSA-N -1 3 321.373 3.344 20 30 DGEDHM CN1CC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc21 ZINC001611667095 1193439994 /nfs/dbraw/zinc/43/99/94/1193439994.db2.gz NXWYLHREWYPAFI-INIZCTEOSA-N -1 3 314.360 3.167 20 30 DGEDHM N#Cc1cnc([N-]c2ccc(-c3ccon3)cc2)c([N+](=O)[O-])c1 ZINC001612963428 1193464495 /nfs/dbraw/zinc/46/44/95/1193464495.db2.gz QEHCAFHDGRKOFF-UHFFFAOYSA-N -1 3 307.269 3.260 20 30 DGEDHM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1cccc(F)n1 ZINC001524703119 1187261525 /nfs/dbraw/zinc/26/15/25/1187261525.db2.gz AGTXJTFJDFSDBB-LJTDUEICSA-N -1 3 318.311 3.054 20 30 DGEDHM N#Cc1cscc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001525081177 1187295697 /nfs/dbraw/zinc/29/56/97/1187295697.db2.gz NGFJPTRDPVELEA-UHFFFAOYSA-N -1 3 304.718 3.062 20 30 DGEDHM C=CC1(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001539569164 1188194813 /nfs/dbraw/zinc/19/48/13/1188194813.db2.gz IRFMGOXUTQHZGW-UHFFFAOYSA-N -1 3 311.389 3.332 20 30 DGEDHM C=CC1(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001539569164 1188194816 /nfs/dbraw/zinc/19/48/16/1188194816.db2.gz IRFMGOXUTQHZGW-UHFFFAOYSA-N -1 3 311.389 3.332 20 30 DGEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2nc(Cl)ccc2F)n1 ZINC001617235506 1193562735 /nfs/dbraw/zinc/56/27/35/1193562735.db2.gz NBXRUZRARYHRSE-UHFFFAOYSA-N -1 3 304.712 3.010 20 30 DGEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC001557129278 1189043469 /nfs/dbraw/zinc/04/34/69/1189043469.db2.gz AREONXVIWFVESP-LBPRGKRZSA-N -1 3 312.344 3.165 20 30 DGEDHM O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N([O-])CCCCc1ccccc1 ZINC001559034264 1189163652 /nfs/dbraw/zinc/16/36/52/1189163652.db2.gz SWSLUKJMMBLGHA-YESZJQIVSA-N -1 3 303.402 3.042 20 30 DGEDHM CC(C)n1cnc(C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001559034302 1189164067 /nfs/dbraw/zinc/16/40/67/1189164067.db2.gz UOJIQSHNXQUAOE-UHFFFAOYSA-N -1 3 301.390 3.318 20 30 DGEDHM COc1cccc(C2(C(=O)N([O-])Cc3ccc(F)cc3)CC2)c1 ZINC001559037326 1189164800 /nfs/dbraw/zinc/16/48/00/1189164800.db2.gz RTYLXFWUKHOGLW-UHFFFAOYSA-N -1 3 315.344 3.284 20 30 DGEDHM C=CCCN(OCc1ccccc1)c1cc(Cl)nc(=O)[n-]1 ZINC001559168930 1189177173 /nfs/dbraw/zinc/17/71/73/1189177173.db2.gz DFURELCKNNPKNR-UHFFFAOYSA-N -1 3 305.765 3.350 20 30 DGEDHM N#Cc1ccc(CNCc2ccc([O-])c(F)c2F)cc1Cl ZINC001560783003 1189382270 /nfs/dbraw/zinc/38/22/70/1189382270.db2.gz RHYOCYGURFMAQA-UHFFFAOYSA-N -1 3 308.715 3.485 20 30 DGEDHM N#Cc1cc(C[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)ccn1 ZINC001568544130 1190564002 /nfs/dbraw/zinc/56/40/02/1190564002.db2.gz WBDKVHWYUMDPSO-UHFFFAOYSA-N -1 3 321.714 3.015 20 30 DGEDHM C=CCOc1ccccc1CNC(=O)c1ccc(CC)cc1[O-] ZINC001628074780 1194158590 /nfs/dbraw/zinc/15/85/90/1194158590.db2.gz ODAPSHHDQFEKQL-UHFFFAOYSA-N -1 3 311.381 3.449 20 30 DGEDHM C=CCOc1ccc(CC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC001628214893 1194166365 /nfs/dbraw/zinc/16/63/65/1194166365.db2.gz FCLRJHXOOHJSQI-UHFFFAOYSA-N -1 3 323.352 3.015 20 30 DGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001628527518 1194183081 /nfs/dbraw/zinc/18/30/81/1194183081.db2.gz DPXVUYYKMKJKIW-HZPDHXFCSA-N -1 3 322.364 3.010 20 30 DGEDHM COc1ccccc1[C@@H](C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC001631983471 1194365149 /nfs/dbraw/zinc/36/51/49/1194365149.db2.gz WAUJTMKNMORMQG-ZDUSSCGKSA-N -1 3 310.353 3.171 20 30 DGEDHM C#Cc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC001635840521 1194575006 /nfs/dbraw/zinc/57/50/06/1194575006.db2.gz HLAQPKPYUVBFAK-UHFFFAOYSA-N -1 3 301.345 3.457 20 30 DGEDHM CCCCN([O-])C(=O)CCCc1ccc2c(c1)OCCCO2 ZINC001639071435 1194749587 /nfs/dbraw/zinc/74/95/87/1194749587.db2.gz BPMIIWQYKNIWEO-UHFFFAOYSA-N -1 3 307.390 3.189 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C ZINC001639071594 1194749910 /nfs/dbraw/zinc/74/99/10/1194749910.db2.gz CZPGVLKXNMSUFK-CYBMUJFWSA-N -1 3 316.442 3.334 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001639678132 1194777069 /nfs/dbraw/zinc/77/70/69/1194777069.db2.gz OQTSGHYMTWEUIT-YFKPBYRVSA-N -1 3 323.107 3.277 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001639678131 1194777129 /nfs/dbraw/zinc/77/71/29/1194777129.db2.gz OQTSGHYMTWEUIT-RXMQYKEDSA-N -1 3 323.107 3.277 20 30 DGEDHM C#Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])c(Cl)c1 ZINC001639822235 1194783687 /nfs/dbraw/zinc/78/36/87/1194783687.db2.gz XDZJNPJAHGKGGH-UHFFFAOYSA-N -1 3 323.739 3.222 20 30 DGEDHM CCCCN([O-])C(=O)CCCCCNC(=O)OC(C)(C)C ZINC001651232178 1195430458 /nfs/dbraw/zinc/43/04/58/1195430458.db2.gz KZUQMTBWYFHWJX-UHFFFAOYSA-N -1 3 302.415 3.089 20 30 DGEDHM COCCOc1ccc(C#N)cc1NCc1ccc([O-])c(F)c1 ZINC001652182333 1195558407 /nfs/dbraw/zinc/55/84/07/1195558407.db2.gz WTHSAWJOGZTYRH-UHFFFAOYSA-N -1 3 316.332 3.040 20 30 DGEDHM N#Cc1ccc(OCc2cc(=O)[n-]c(-c3ccccc3)n2)c(F)c1 ZINC001652720709 1195640530 /nfs/dbraw/zinc/64/05/30/1195640530.db2.gz PGLORZFQCZGJJV-UHFFFAOYSA-N -1 3 321.311 3.439 20 30 DGEDHM C[S@](=O)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001654814515 1195843032 /nfs/dbraw/zinc/84/30/32/1195843032.db2.gz WWWNEPFIASHQJE-NRFANRHFSA-N -1 3 323.801 3.109 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cn(-c2cc(C)cc(F)c2)nn1 ZINC001654819820 1195844102 /nfs/dbraw/zinc/84/41/02/1195844102.db2.gz SFJVRBCIHSPXDF-UHFFFAOYSA-N -1 3 320.368 3.127 20 30 DGEDHM C=C(CC)C[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001655643342 1195944548 /nfs/dbraw/zinc/94/45/48/1195944548.db2.gz WMPKGMZHFSBLHV-UHFFFAOYSA-N -1 3 322.455 3.363 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001662150282 1196686532 /nfs/dbraw/zinc/68/65/32/1196686532.db2.gz GCOXVBNLCZPKQR-UHFFFAOYSA-N -1 3 305.802 3.360 20 30 DGEDHM C=C1CCC(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573296630 947052197 /nfs/dbraw/zinc/05/21/97/947052197.db2.gz UWKXDCSDQOANQA-GFCCVEGCSA-N -1 3 312.373 3.217 20 30 DGEDHM C=C1CCC(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573296630 947052205 /nfs/dbraw/zinc/05/22/05/947052205.db2.gz UWKXDCSDQOANQA-GFCCVEGCSA-N -1 3 312.373 3.217 20 30 DGEDHM C=CC(C)(C)Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001573308205 947187495 /nfs/dbraw/zinc/18/74/95/947187495.db2.gz ZFAZEVQONLFVEX-UHFFFAOYSA-N -1 3 308.183 3.006 20 30 DGEDHM C=CC(C)(C)Nc1cc(Br)ccc1-c1nn[n-]n1 ZINC001573308205 947187501 /nfs/dbraw/zinc/18/75/01/947187501.db2.gz ZFAZEVQONLFVEX-UHFFFAOYSA-N -1 3 308.183 3.006 20 30 DGEDHM C#CCN(CC(=O)[O-])CC(Cc1ccccc1)Cc1ccccc1 ZINC001588424119 958211587 /nfs/dbraw/zinc/21/15/87/958211587.db2.gz JXENJVIKAVPSGY-UHFFFAOYSA-N -1 3 321.420 3.108 20 30 DGEDHM C#CCOc1cccc(Cl)c1CNC[C@H](CC(C)C)C(=O)[O-] ZINC001588433515 958297466 /nfs/dbraw/zinc/29/74/66/958297466.db2.gz OETVDGPQNDFRPB-ZDUSSCGKSA-N -1 3 323.820 3.189 20 30 DGEDHM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])s2)cc1 ZINC001588469866 958521612 /nfs/dbraw/zinc/52/16/12/958521612.db2.gz ZZDBOKGWIIEEGF-UHFFFAOYSA-N -1 3 303.383 3.301 20 30 DGEDHM C=CC[C@H](C(=O)[O-])N1CCc2cc(C)c(Br)cc2C1 ZINC001573351202 962977090 /nfs/dbraw/zinc/97/70/90/962977090.db2.gz QSWLEAXNSVFGHV-CQSZACIVSA-N -1 3 324.218 3.145 20 30 DGEDHM CSc1ccc(CNCc2ccsc2C(=O)[O-])cc1C#N ZINC001599813977 988387902 /nfs/dbraw/zinc/38/79/02/988387902.db2.gz CYUFAJHZETYBAD-UHFFFAOYSA-N -1 3 318.423 3.330 20 30 DGEDHM N#Cc1ccccc1/C=C\C(=O)N1CCCc2cccc([O-])c21 ZINC000588401627 1082143036 /nfs/dbraw/zinc/14/30/36/1082143036.db2.gz KCBCTLYQQPZSOQ-KHPPLWFESA-N -1 3 304.349 3.256 20 30 DGEDHM C=CCC[C@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OCC ZINC001181826718 1083550407 /nfs/dbraw/zinc/55/04/07/1083550407.db2.gz GQFNMDKRUJSYIY-AWEZNQCLSA-N -1 3 311.809 3.342 20 30 DGEDHM Cc1ccc2[n-]cc(C(=O)Nc3ccc(F)c(C#N)c3)c(=O)c2c1 ZINC001182567930 1083754031 /nfs/dbraw/zinc/75/40/31/1083754031.db2.gz BMSFWQXLNDWAPP-UHFFFAOYSA-N -1 3 321.311 3.100 20 30 DGEDHM CCCCCCN([O-])C(=O)CSCc1csc(C)n1 ZINC001184305871 1084143043 /nfs/dbraw/zinc/14/30/43/1084143043.db2.gz VGVRMYUBVPGYJS-UHFFFAOYSA-N -1 3 302.465 3.483 20 30 DGEDHM O=C(Cc1ccc(Cl)cn1)N([O-])Cc1ccccc1Cl ZINC001184283522 1084151749 /nfs/dbraw/zinc/15/17/49/1084151749.db2.gz MWZWVAHDCOCDCK-UHFFFAOYSA-N -1 3 311.168 3.349 20 30 DGEDHM O=C(c1ccc2[nH]ccc2n1)N([O-])Cc1ccccc1Cl ZINC001184293180 1084155904 /nfs/dbraw/zinc/15/59/04/1084155904.db2.gz IJZAXHIOBZDGLZ-UHFFFAOYSA-N -1 3 301.733 3.248 20 30 DGEDHM N#Cc1cc(NC(=O)CC(=O)c2ccccc2Cl)ccc1[O-] ZINC001185433833 1084438982 /nfs/dbraw/zinc/43/89/82/1084438982.db2.gz OFHMSGLTHROSDF-UHFFFAOYSA-N -1 3 314.728 3.129 20 30 DGEDHM C#CCCC1(CCNC(=O)c2c([O-])ccc3ccccc32)N=N1 ZINC001153512450 1088269126 /nfs/dbraw/zinc/26/91/26/1088269126.db2.gz ICHRJOSZPAKIBW-UHFFFAOYSA-N -1 3 307.353 3.241 20 30 DGEDHM CC(C)C[C@](C)(C#N)NC(=O)c1c(O)cc2ccccc2c1[O-] ZINC001154029625 1088448057 /nfs/dbraw/zinc/44/80/57/1088448057.db2.gz CFSDTCGACUGLSN-GOSISDBHSA-N -1 3 312.369 3.309 20 30 DGEDHM COc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)c2cccnc12 ZINC001155488275 1089134208 /nfs/dbraw/zinc/13/42/08/1089134208.db2.gz PYPTUBNEGLAKCE-UHFFFAOYSA-N -1 3 319.320 3.073 20 30 DGEDHM N#Cc1c[nH]c2cc(NC(=O)c3cc([O-])cc4[nH]ccc43)ccc12 ZINC001155964169 1089319484 /nfs/dbraw/zinc/31/94/84/1089319484.db2.gz PBUJOJHHVCTHNY-UHFFFAOYSA-N -1 3 316.320 3.479 20 30 DGEDHM COc1cccc(CC(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001161802408 1089409773 /nfs/dbraw/zinc/40/97/73/1089409773.db2.gz VMOSLGGXHDYXQF-UHFFFAOYSA-N -1 3 305.761 3.309 20 30 DGEDHM CC(C)(C)O[C@@H]1C[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001161819060 1089421941 /nfs/dbraw/zinc/42/19/41/1089421941.db2.gz MPBZUGUTQUJMFA-HZPDHXFCSA-N -1 3 305.418 3.431 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nc(CC)n(-c2ccccc2)n1 ZINC001161826723 1089426481 /nfs/dbraw/zinc/42/64/81/1089426481.db2.gz KRUTYGVVZLRJKB-UHFFFAOYSA-N -1 3 316.405 3.241 20 30 DGEDHM CCCCCCN([O-])C(=O)C1(c2ccc3c(c2)OCO3)CC1 ZINC001161826446 1089427343 /nfs/dbraw/zinc/42/73/43/1089427343.db2.gz AJAMZNKVLFJJHG-UHFFFAOYSA-N -1 3 305.374 3.245 20 30 DGEDHM CCCCN([O-])C(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1 ZINC001161826659 1089428071 /nfs/dbraw/zinc/42/80/71/1089428071.db2.gz JCOAYHOMMXKIHN-UHFFFAOYSA-N -1 3 324.384 3.360 20 30 DGEDHM CCCCCCN([O-])C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC001161826506 1089428118 /nfs/dbraw/zinc/42/81/18/1089428118.db2.gz CSGUKZXPWPXFCD-HNNXBMFYSA-N -1 3 318.417 3.376 20 30 DGEDHM C=CCn1cc2ccc(NC(=O)c3cccc(C)c3[O-])cc2n1 ZINC001156690298 1089648950 /nfs/dbraw/zinc/64/89/50/1089648950.db2.gz JOYPRBSPGSUWRT-UHFFFAOYSA-N -1 3 307.353 3.489 20 30 DGEDHM CN(Cc1cc(C#N)cs1)C(=O)c1cc([O-])ccc1Cl ZINC001157478135 1089988708 /nfs/dbraw/zinc/98/87/08/1089988708.db2.gz SJPOLTGGQCYDHO-UHFFFAOYSA-N -1 3 306.774 3.251 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C[C@H](C)CC)NC(=O)OC(C)(C)C ZINC001649061268 1090584584 /nfs/dbraw/zinc/58/45/84/1090584584.db2.gz JPVYNBHZYVKVRG-CHWSQXEVSA-N -1 3 316.442 3.334 20 30 DGEDHM Cc1cc(C#N)cnc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001649069945 1090588883 /nfs/dbraw/zinc/58/88/83/1090588883.db2.gz NEUZFPOEGPNXAO-UHFFFAOYSA-N -1 3 317.348 3.447 20 30 DGEDHM Cc1nc2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cc2o1 ZINC001649075907 1090589847 /nfs/dbraw/zinc/58/98/47/1090589847.db2.gz JLROIMHFXRKLDO-UHFFFAOYSA-N -1 3 300.289 3.307 20 30 DGEDHM N#Cc1ccccc1OC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140468801 1091878434 /nfs/dbraw/zinc/87/84/34/1091878434.db2.gz YETKEHXEHPFHFH-UHFFFAOYSA-N -1 3 314.772 3.180 20 30 DGEDHM Cc1ccc(N(CCC#N)C(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001142835115 1092562419 /nfs/dbraw/zinc/56/24/19/1092562419.db2.gz HWMUBVXQZNGTDB-UHFFFAOYSA-N -1 3 312.344 3.329 20 30 DGEDHM Cc1nc2ccccc2c(C(=O)NC2=CC(=O)CC(C)(C)C2)c1[O-] ZINC001149206678 1092669031 /nfs/dbraw/zinc/66/90/31/1092669031.db2.gz UQXUCUNXJXSFBI-UHFFFAOYSA-N -1 3 324.380 3.252 20 30 DGEDHM N#Cc1cc(Nc2c(N)cc(Br)cc2F)ccc1[O-] ZINC001210532344 1093199283 /nfs/dbraw/zinc/19/92/83/1093199283.db2.gz HEBJGNCUJFWNAA-UHFFFAOYSA-N 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COc1c(F)c(F)cc(C(=O)[N-]c2ccsc2C#N)c1F ZINC001148779094 1096438273 /nfs/dbraw/zinc/43/82/73/1096438273.db2.gz OVINGEZUUPYKKA-UHFFFAOYSA-N -1 3 312.272 3.298 20 30 DGEDHM Cc1ccc(N2CCC(Oc3[n-]c(C)cc(=O)c3C#N)CC2)cc1 ZINC001225467239 1096440312 /nfs/dbraw/zinc/44/03/12/1096440312.db2.gz NZKAXPNHIUQSHM-UHFFFAOYSA-N -1 3 323.396 3.324 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](Oc2[n-]c(C)cc(=O)c2C#N)C(C)(C)O1 ZINC001225469758 1096441520 /nfs/dbraw/zinc/44/15/20/1096441520.db2.gz NWQJHQSULJJUDT-RHSMWYFYSA-N -1 3 302.374 3.248 20 30 DGEDHM Cc1cc(=O)c(C#N)c(OC2CCN(c3ccccc3)CC2)[n-]1 ZINC001225470075 1096441753 /nfs/dbraw/zinc/44/17/53/1096441753.db2.gz QFMZTDHYJSWOAZ-UHFFFAOYSA-N -1 3 309.369 3.015 20 30 DGEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225998567 1096585545 /nfs/dbraw/zinc/58/55/45/1096585545.db2.gz NOZSFCUCHXFNGR-CYBMUJFWSA-N -1 3 306.358 3.260 20 30 DGEDHM Cc1nc(O[C@@H](C#C[Si](C)(C)C)c2ccccc2)cc(=O)[n-]1 ZINC001226511026 1096709354 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O=C(CC1(O)CCCC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306894622 1111247665 /nfs/dbraw/zinc/24/76/65/1111247665.db2.gz UUVRMXRIWVLOIT-UHFFFAOYSA-N -1 3 318.200 3.406 20 30 DGEDHM CCCCN([O-])C(=O)CCCCc1ccc(OC)c(OC)c1 ZINC001306897460 1111248131 /nfs/dbraw/zinc/24/81/31/1111248131.db2.gz NQZYLKXITLRIEQ-UHFFFAOYSA-N -1 3 309.406 3.435 20 30 DGEDHM Cc1ccc(OCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1C ZINC000078941830 185132514 /nfs/dbraw/zinc/13/25/14/185132514.db2.gz RPSIOEZIUPGGLH-UHFFFAOYSA-N -1 3 314.267 3.107 20 30 DGEDHM Cc1ccc(OCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1C ZINC000078941830 185132516 /nfs/dbraw/zinc/13/25/16/185132516.db2.gz RPSIOEZIUPGGLH-UHFFFAOYSA-N -1 3 314.267 3.107 20 30 DGEDHM CCc1c(C)sc([N-]C(=O)c2ncncc2Cl)c1C#N ZINC000429208753 529492457 /nfs/dbraw/zinc/49/24/57/529492457.db2.gz SIVUMEMWYKWWSQ-UHFFFAOYSA-N -1 3 306.778 3.186 20 30 DGEDHM Cc1ccnc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)n1 ZINC000330998858 232308095 /nfs/dbraw/zinc/30/80/95/232308095.db2.gz PIEQNOODOWCGFG-UHFFFAOYSA-N -1 3 300.387 3.268 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c(Cl)c1 ZINC000180195192 199129459 /nfs/dbraw/zinc/12/94/59/199129459.db2.gz OIDBITRNUVSAAZ-UHFFFAOYSA-N -1 3 324.833 3.070 20 30 DGEDHM CCn1c(C)cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1C ZINC000429567841 238055371 /nfs/dbraw/zinc/05/53/71/238055371.db2.gz YOQAPHCXPWSJGI-AWEZNQCLSA-N -1 3 321.384 3.195 20 30 DGEDHM C=CCOc1ccc(CNC(=O)c2ccc([O-])c(CC)c2)cc1 ZINC000487964919 245128213 /nfs/dbraw/zinc/12/82/13/245128213.db2.gz VDUDNTUCDOOBNG-UHFFFAOYSA-N -1 3 311.381 3.449 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)ccc1F ZINC000494459604 246151728 /nfs/dbraw/zinc/15/17/28/246151728.db2.gz UJTAIIKSHSNUQP-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135371614 284473712 /nfs/dbraw/zinc/47/37/12/284473712.db2.gz BMGJUFWOJCGLFV-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=C1CCN(Cc2ccc(OC)c([O-])c2Br)CC1 ZINC000273741503 211019655 /nfs/dbraw/zinc/01/96/55/211019655.db2.gz LYXWXBMSJATXEJ-UHFFFAOYSA-N -1 3 312.207 3.315 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)cc1 ZINC000342645929 254024744 /nfs/dbraw/zinc/02/47/44/254024744.db2.gz VFZBIWRUZWNEKX-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000342673530 254030855 /nfs/dbraw/zinc/03/08/55/254030855.db2.gz WCKUDNCREJVZSP-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM COc1cc(C(=O)[N-]c2scc(C)c2C#N)ccc1[N+](=O)[O-] ZINC000344924875 254316464 /nfs/dbraw/zinc/31/64/64/254316464.db2.gz IXOBVXMHGHRFDJ-UHFFFAOYSA-N -1 3 317.326 3.097 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)c2ccccc12 ZINC000354470336 533353560 /nfs/dbraw/zinc/35/35/60/533353560.db2.gz NIFYKKXVOLLRAX-HNNXBMFYSA-N -1 3 303.321 3.128 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1C ZINC000429601081 533560656 /nfs/dbraw/zinc/56/06/56/533560656.db2.gz XZXZUZNDHBBTSM-ZDUSSCGKSA-N -1 3 320.352 3.073 20 30 DGEDHM N#C[C@H]([N-]C(=O)CC(F)(F)F)c1ccccc1Br ZINC000609590905 400179168 /nfs/dbraw/zinc/17/91/68/400179168.db2.gz HVODUPLUBQJVFT-VIFPVBQESA-N -1 3 321.096 3.082 20 30 DGEDHM N#Cc1ccc(CCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000609200775 400150392 /nfs/dbraw/zinc/15/03/92/400150392.db2.gz ABUYCZXDFOFXGY-UHFFFAOYSA-N -1 3 300.745 3.489 20 30 DGEDHM N#CCCSc1ccccc1[N-]S(=O)(=O)CCC1CC1 ZINC000092276225 400161411 /nfs/dbraw/zinc/16/14/11/400161411.db2.gz JDAKUNNSJUVGMA-UHFFFAOYSA-N -1 3 310.444 3.234 20 30 DGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000026252879 400255571 /nfs/dbraw/zinc/25/55/71/400255571.db2.gz RJXDQCXBCWCSLY-DTWKUNHWSA-N -1 3 314.242 3.354 20 30 DGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000026252879 400255574 /nfs/dbraw/zinc/25/55/74/400255574.db2.gz RJXDQCXBCWCSLY-DTWKUNHWSA-N -1 3 314.242 3.354 20 30 DGEDHM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610084898 400212781 /nfs/dbraw/zinc/21/27/81/400212781.db2.gz SMTHPASRJNCLPJ-ZFWWWQNUSA-N -1 3 324.421 3.335 20 30 DGEDHM COC(=O)c1cc([O-])cc(-c2ccc(OC)c(C3(C#N)CC3)c2)c1 ZINC000596638789 400468034 /nfs/dbraw/zinc/46/80/34/400468034.db2.gz QEAXVVOUXDDBHM-UHFFFAOYSA-N -1 3 323.348 3.410 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(COC(C)(C)C)cc1 ZINC000591338966 400511653 /nfs/dbraw/zinc/51/16/53/400511653.db2.gz CCSCIMDFNNEPJP-AWEZNQCLSA-N -1 3 310.419 3.046 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2cc3ccccc3n2CC#N)n1 ZINC000591861736 400567032 /nfs/dbraw/zinc/56/70/32/400567032.db2.gz CZYOHKCIZYZACD-ZDUSSCGKSA-N -1 3 320.377 3.420 20 30 DGEDHM C[C@@H](C#N)N(C(=O)CCc1ccc2ccccc2c1[O-])C1CC1 ZINC000598133961 400748628 /nfs/dbraw/zinc/74/86/28/400748628.db2.gz CVNWHIHPYRBQFH-ZDUSSCGKSA-N -1 3 308.381 3.381 20 30 DGEDHM Cc1cc(Cl)cc(NC(=O)Cc2ccc(C#N)cc2)c1[O-] ZINC000172081685 400813268 /nfs/dbraw/zinc/81/32/68/400813268.db2.gz VLBCFTMVDLOIER-UHFFFAOYSA-N -1 3 300.745 3.407 20 30 DGEDHM CCc1cccc(OCC(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000053523930 400788026 /nfs/dbraw/zinc/78/80/26/400788026.db2.gz XISQLSBJCQAPGD-UHFFFAOYSA-N -1 3 323.356 3.096 20 30 DGEDHM CCc1cccc(OCC(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000053523930 400788031 /nfs/dbraw/zinc/78/80/31/400788031.db2.gz XISQLSBJCQAPGD-UHFFFAOYSA-N -1 3 323.356 3.096 20 30 DGEDHM CCc1cccc(OCC(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000053523930 400788038 /nfs/dbraw/zinc/78/80/38/400788038.db2.gz XISQLSBJCQAPGD-UHFFFAOYSA-N -1 3 323.356 3.096 20 30 DGEDHM Cc1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000053524172 400788331 /nfs/dbraw/zinc/78/83/31/400788331.db2.gz JTKYWXQCRSBXGO-LBPRGKRZSA-N -1 3 323.356 3.231 20 30 DGEDHM Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000053524172 400788337 /nfs/dbraw/zinc/78/83/37/400788337.db2.gz JTKYWXQCRSBXGO-LBPRGKRZSA-N -1 3 323.356 3.231 20 30 DGEDHM Cc1cccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000053524172 400788339 /nfs/dbraw/zinc/78/83/39/400788339.db2.gz JTKYWXQCRSBXGO-LBPRGKRZSA-N -1 3 323.356 3.231 20 30 DGEDHM N#Cc1ccsc1[N-]C(=O)c1cnc(-c2ccccn2)s1 ZINC000171401467 400798733 /nfs/dbraw/zinc/79/87/33/400798733.db2.gz JFOXBYMOHHNKJF-UHFFFAOYSA-N -1 3 312.379 3.391 20 30 DGEDHM C=CCCC(C)(C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000598520719 400827588 /nfs/dbraw/zinc/82/75/88/400827588.db2.gz CRWHMUCQEOARGJ-UHFFFAOYSA-N -1 3 315.417 3.069 20 30 DGEDHM C[C@]1(C#N)CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000619442813 400850241 /nfs/dbraw/zinc/85/02/41/400850241.db2.gz WMOWNJPOAVIZTK-CQSZACIVSA-N -1 3 312.291 3.177 20 30 DGEDHM N#CC(=C([O-])c1cccc2c1OCO2)c1ccc2ccccc2n1 ZINC000614381386 400890288 /nfs/dbraw/zinc/89/02/88/400890288.db2.gz JZSFATAANVBYGS-AWEZNQCLSA-N -1 3 316.316 3.454 20 30 DGEDHM N#Cc1ccc(SCC(=O)Nc2ccc([O-])cc2F)cc1 ZINC000183253578 164949045 /nfs/dbraw/zinc/94/90/45/164949045.db2.gz HDQVIHMIGCQRKV-UHFFFAOYSA-N -1 3 302.330 3.134 20 30 DGEDHM N#CC(=C([O-])c1ccc(F)c(F)c1)c1cnc2ccccc2n1 ZINC000190969620 432207723 /nfs/dbraw/zinc/20/77/23/432207723.db2.gz CFKRRZJXDKEYHE-LLVKDONJSA-N -1 3 309.275 3.398 20 30 DGEDHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160759776 228248532 /nfs/dbraw/zinc/24/85/32/228248532.db2.gz UFRUCCMPYNDEJQ-MFKMUULPSA-N -1 3 312.822 3.069 20 30 DGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCCC1 ZINC000183663223 228375584 /nfs/dbraw/zinc/37/55/84/228375584.db2.gz XXLNCTJZROBMOQ-JTQLQIEISA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C)CC2(C)C)c([O-])c1 ZINC000331229520 229023144 /nfs/dbraw/zinc/02/31/44/229023144.db2.gz HEPDKPVNDVYQIZ-CYBMUJFWSA-N -1 3 318.417 3.042 20 30 DGEDHM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000344550668 229138016 /nfs/dbraw/zinc/13/80/16/229138016.db2.gz KOPUQZCAAACNTJ-LBPRGKRZSA-N -1 3 324.271 3.100 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnn4ccccc34)nc21 ZINC000345439445 229151938 /nfs/dbraw/zinc/15/19/38/229151938.db2.gz VXVWFTYTAFJXSV-LBPRGKRZSA-N -1 3 315.336 3.009 20 30 DGEDHM N#CC(=C([O-])c1ccc(Oc2cccnc2)cc1)c1ccncn1 ZINC000354458699 229295975 /nfs/dbraw/zinc/29/59/75/229295975.db2.gz CKIWKAFVRQNIEM-MRXNPFEDSA-N -1 3 316.320 3.154 20 30 DGEDHM N#C[C@H](NC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1F ZINC000357444235 229348726 /nfs/dbraw/zinc/34/87/26/229348726.db2.gz PIZYVFYSNNURED-HNNXBMFYSA-N -1 3 318.735 3.108 20 30 DGEDHM N#Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)cc1 ZINC000357416631 269956102 /nfs/dbraw/zinc/95/61/02/269956102.db2.gz WTGQOJQHENPFOD-AQTBWJFISA-N -1 3 313.360 3.425 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1C#N ZINC000235899530 263845686 /nfs/dbraw/zinc/84/56/86/263845686.db2.gz CEPHMPOVTJZBHZ-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CCSc1ccc(Cl)cc1[N-]C(=O)c1cnn(C)c1C#N ZINC000355651291 266349543 /nfs/dbraw/zinc/34/95/43/266349543.db2.gz AMHWKWWRQCEVAH-UHFFFAOYSA-N -1 3 320.805 3.309 20 30 DGEDHM Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1C#N ZINC000352004542 267296258 /nfs/dbraw/zinc/29/62/58/267296258.db2.gz ALDFVPOLEDZSGK-HWKANZROSA-N -1 3 314.348 3.182 20 30 DGEDHM CC1(C)CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H]1C#N ZINC000277562845 278213398 /nfs/dbraw/zinc/21/33/98/278213398.db2.gz POGBEIZIIYLWTC-MRXNPFEDSA-N -1 3 309.369 3.095 20 30 DGEDHM CC(C)[C@@H](C/N=C/c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000115184072 431436319 /nfs/dbraw/zinc/43/63/19/431436319.db2.gz REILNQFICMYSAI-YFEUJDIGSA-N -1 3 306.406 3.360 20 30 DGEDHM C=CCN(Cc1ccccc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000121820244 431806855 /nfs/dbraw/zinc/80/68/55/431806855.db2.gz VTNHEHUPEUXFHE-UHFFFAOYSA-N -1 3 324.380 3.179 20 30 DGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(C(C)(C)C)c1 ZINC000123059310 431853262 /nfs/dbraw/zinc/85/32/62/431853262.db2.gz SJSSFLCGKUVEPX-ZDUSSCGKSA-N -1 3 321.384 3.015 20 30 DGEDHM C=CCC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000123044299 431853691 /nfs/dbraw/zinc/85/36/91/431853691.db2.gz HIAFWZCORQIIIV-HNNXBMFYSA-N -1 3 306.369 3.395 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1F ZINC000088547161 431858572 /nfs/dbraw/zinc/85/85/72/431858572.db2.gz CPZADNVKTQJTEE-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM CCc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)sc1C ZINC000047343218 431908552 /nfs/dbraw/zinc/90/85/52/431908552.db2.gz HKPSDBPLXLWKPO-UHFFFAOYSA-N -1 3 313.386 3.435 20 30 DGEDHM CCc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)sc1C ZINC000047343218 431908553 /nfs/dbraw/zinc/90/85/53/431908553.db2.gz HKPSDBPLXLWKPO-UHFFFAOYSA-N -1 3 313.386 3.435 20 30 DGEDHM CCc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)sc1C ZINC000047343218 431908555 /nfs/dbraw/zinc/90/85/55/431908555.db2.gz HKPSDBPLXLWKPO-UHFFFAOYSA-N -1 3 313.386 3.435 20 30 DGEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc([O-])cc1F ZINC000124428327 431893466 /nfs/dbraw/zinc/89/34/66/431893466.db2.gz VORUYAVAGGNLNA-UHFFFAOYSA-N -1 3 314.316 3.199 20 30 DGEDHM COc1cccc(C([O-])=C(C#N)c2ccccn2)c1OC(F)F ZINC000049456931 431940092 /nfs/dbraw/zinc/94/00/92/431940092.db2.gz RMEJCUZTKYICHE-NSHDSACASA-N -1 3 318.279 3.182 20 30 DGEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(OC)cc1[O-] ZINC000127888045 431982813 /nfs/dbraw/zinc/98/28/13/431982813.db2.gz BYQYRSRKCPBJTD-UHFFFAOYSA-N -1 3 303.383 3.291 20 30 DGEDHM Cc1nnsc1C(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000191413703 432261521 /nfs/dbraw/zinc/26/15/21/432261521.db2.gz KGNCIEJKPUZZLI-SECBINFHSA-N -1 3 318.427 3.493 20 30 DGEDHM C=CCOc1ccc(CN2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000263404351 432541569 /nfs/dbraw/zinc/54/15/69/432541569.db2.gz JDJARUSHBGPOQP-ZDUSSCGKSA-N -1 3 309.793 3.201 20 30 DGEDHM C[C@@H](C#N)CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263685230 432566073 /nfs/dbraw/zinc/56/60/73/432566073.db2.gz OIZDUCVQAOLMOA-AWEZNQCLSA-N -1 3 308.381 3.215 20 30 DGEDHM Cc1nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)ccc1C#N ZINC000186302664 432579456 /nfs/dbraw/zinc/57/94/56/432579456.db2.gz HDEKQUIHVDJYLS-LLVKDONJSA-N -1 3 307.353 3.121 20 30 DGEDHM COC(=O)c1cnc(SCc2ccccc2C(C)(C)C#N)[n-]1 ZINC000187588222 432671045 /nfs/dbraw/zinc/67/10/45/432671045.db2.gz YKYPQOPWLGPCAL-UHFFFAOYSA-N -1 3 315.398 3.290 20 30 DGEDHM CCCOc1ccc(/C=N/C[C@](C)(O)c2ccco2)c([O-])c1 ZINC000266030127 432750604 /nfs/dbraw/zinc/75/06/04/432750604.db2.gz VXPZWHDNDJTIPD-SZLZGVTBSA-N -1 3 303.358 3.101 20 30 DGEDHM N#C[C@@H]([N-]C(=O)c1c(F)cc(F)cc1F)c1ccccc1F ZINC000161451175 432779690 /nfs/dbraw/zinc/77/96/90/432779690.db2.gz GMIOCMQOTKIHMU-CYBMUJFWSA-N -1 3 308.234 3.238 20 30 DGEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000160769735 432740912 /nfs/dbraw/zinc/74/09/12/432740912.db2.gz GNABVMGBCSWWIA-ZYHUDNBSSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(F)c1 ZINC000235910527 432745921 /nfs/dbraw/zinc/74/59/21/432745921.db2.gz AKHINWPNFOMACY-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM CCNC(=O)C1(C/N=C/c2c([O-])ccc3ccccc32)CCC1 ZINC000276964298 432827889 /nfs/dbraw/zinc/82/78/89/432827889.db2.gz ZCHKIIKFISZRJT-UDWIEESQSA-N -1 3 310.397 3.271 20 30 DGEDHM C=CC[C@H](NCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000277288807 432834863 /nfs/dbraw/zinc/83/48/63/432834863.db2.gz MGRQUPBPOYBXPM-NSHDSACASA-N -1 3 318.598 3.221 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2ccccc2C)c1CC ZINC000189458118 432787727 /nfs/dbraw/zinc/78/77/27/432787727.db2.gz CFMNBKNEYOJKIB-UHFFFAOYSA-N -1 3 319.430 3.061 20 30 DGEDHM CC(C)c1cc(C(=O)N[C@@H]2CCCNC2=O)c([O-])c(C(C)C)c1 ZINC000330603544 432919068 /nfs/dbraw/zinc/91/90/68/432919068.db2.gz KGQVSLANTPODHA-OAHLLOKOSA-N -1 3 318.417 3.222 20 30 DGEDHM CCCc1cc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)no1 ZINC000297803130 433019692 /nfs/dbraw/zinc/01/96/92/433019692.db2.gz MFMOIWGZAXCAPY-UHFFFAOYSA-N -1 3 310.357 3.025 20 30 DGEDHM C=CCCCS(=O)(=O)[N-]c1ccc(SC(F)F)nc1 ZINC000291814781 433360348 /nfs/dbraw/zinc/36/03/48/433360348.db2.gz DEOFFDBGKPNUAK-UHFFFAOYSA-N -1 3 308.375 3.104 20 30 DGEDHM Cc1nc2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)ccc2o1 ZINC000361664608 433329231 /nfs/dbraw/zinc/32/92/31/433329231.db2.gz NPPHWCFNAVDUHF-CYBMUJFWSA-N -1 3 306.325 3.033 20 30 DGEDHM CC[C@@H](C)CO[N-]C(=O)CCCCOc1cccc(C#N)c1 ZINC000292134610 433474881 /nfs/dbraw/zinc/47/48/81/433474881.db2.gz QBZONSNGPYQMAD-CQSZACIVSA-N -1 3 304.390 3.201 20 30 DGEDHM COc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)nc1 ZINC000361974362 433476225 /nfs/dbraw/zinc/47/62/25/433476225.db2.gz PZANSMLYXYVMTF-OAHLLOKOSA-N -1 3 303.321 3.128 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000448855000 433582275 /nfs/dbraw/zinc/58/22/75/433582275.db2.gz CFVXYFIYKKJOCR-UHFFFAOYSA-N -1 3 311.389 3.332 20 30 DGEDHM C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000448855000 433582287 /nfs/dbraw/zinc/58/22/87/433582287.db2.gz CFVXYFIYKKJOCR-UHFFFAOYSA-N -1 3 311.389 3.332 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](COCC(C)C)c1ccco1 ZINC000292983472 433604954 /nfs/dbraw/zinc/60/49/54/433604954.db2.gz HNYLBTQUVNDFLH-GFCCVEGCSA-N -1 3 301.333 3.321 20 30 DGEDHM CC(C)[C@H](/N=C/c1c([O-])ccc2ccccc12)c1nncn1C ZINC000285203945 433924561 /nfs/dbraw/zinc/92/45/61/433924561.db2.gz DWNUVVFRUWHXMW-AEUYPJEVSA-N -1 3 308.385 3.490 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccccc1OCC(F)(F)F ZINC000293828034 433882573 /nfs/dbraw/zinc/88/25/73/433882573.db2.gz POALSRUOBATSFA-UHFFFAOYSA-N -1 3 323.261 3.455 20 30 DGEDHM C[C@@H](C#N)CN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436551181 434005336 /nfs/dbraw/zinc/00/53/36/434005336.db2.gz MKGSHBKUJIWDTD-ZDUSSCGKSA-N -1 3 310.353 3.416 20 30 DGEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1[O-] ZINC000436580090 434021059 /nfs/dbraw/zinc/02/10/59/434021059.db2.gz ZUCDWZFTSGVKIS-UHFFFAOYSA-N -1 3 319.282 3.193 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000416947095 434256806 /nfs/dbraw/zinc/25/68/06/434256806.db2.gz BIGFTXHXJSGCAE-NSHDSACASA-N -1 3 316.810 3.171 20 30 DGEDHM N#Cc1c([N-]C(=O)c2cc(-c3ccccc3)no2)n[nH]c1C1CC1 ZINC000359727870 434422693 /nfs/dbraw/zinc/42/26/93/434422693.db2.gz VBVYCLVJFDSBOX-UHFFFAOYSA-N -1 3 319.324 3.066 20 30 DGEDHM C=CCOc1ccc(CN[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000417612099 434466118 /nfs/dbraw/zinc/46/61/18/434466118.db2.gz BHSWCEJWUHICRF-CHWSQXEVSA-N -1 3 307.777 3.024 20 30 DGEDHM CCc1ccc([C@H](NCc2ccc(C#N)c(C)c2)C(=O)[O-])cc1 ZINC000417583300 434453685 /nfs/dbraw/zinc/45/36/85/434453685.db2.gz LTAXMALIDDCEIF-SFHVURJKSA-N -1 3 308.381 3.345 20 30 DGEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000439647161 434633380 /nfs/dbraw/zinc/63/33/80/434633380.db2.gz LLLHFCZAOXDMBJ-ZDUSSCGKSA-N -1 3 322.393 3.342 20 30 DGEDHM CCOc1cc(CN2CCC(F)(C#N)CC2)cc(Cl)c1[O-] ZINC000459542578 434599455 /nfs/dbraw/zinc/59/94/55/434599455.db2.gz KKTDRFFHFNBCGM-UHFFFAOYSA-N -1 3 312.772 3.272 20 30 DGEDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443022578 434774778 /nfs/dbraw/zinc/77/47/78/434774778.db2.gz WKUIGBNBWPQEOR-GXFFZTMASA-N -1 3 312.822 3.069 20 30 DGEDHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000524149388 434970923 /nfs/dbraw/zinc/97/09/23/434970923.db2.gz OKFHMDASOVPMJM-LBPRGKRZSA-N -1 3 312.410 3.192 20 30 DGEDHM N#CC(=C([O-])c1cnn(C2CC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000528913938 435030749 /nfs/dbraw/zinc/03/07/49/435030749.db2.gz OWABDESQYCEQNY-LBPRGKRZSA-N -1 3 320.274 3.122 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3ccsc3c2)nc(C)n1 ZINC000524760467 434990788 /nfs/dbraw/zinc/99/07/88/434990788.db2.gz RKQSGDDSKMPYHC-GFCCVEGCSA-N -1 3 308.366 3.193 20 30 DGEDHM C[C@H](C#N)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000531119598 435072257 /nfs/dbraw/zinc/07/22/57/435072257.db2.gz DUTWLCFNJKFKPE-CQSZACIVSA-N -1 3 308.381 3.067 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1C1CCCC1 ZINC000530390648 435044370 /nfs/dbraw/zinc/04/43/70/435044370.db2.gz YQADWCNQPPCEHC-AWEZNQCLSA-N -1 3 308.385 3.446 20 30 DGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc[nH]c3C(C)C)nc1-2 ZINC000575994050 435052712 /nfs/dbraw/zinc/05/27/12/435052712.db2.gz ZGFLFFXDHHFBGI-LBPRGKRZSA-N -1 3 307.357 3.208 20 30 DGEDHM CCC[C@@H](C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000536686316 435406844 /nfs/dbraw/zinc/40/68/44/435406844.db2.gz HCTJPKPUVJHNFM-INIZCTEOSA-N -1 3 308.381 3.405 20 30 DGEDHM CC[C@@](C)(C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000538741270 435521301 /nfs/dbraw/zinc/52/13/01/435521301.db2.gz MOYBNDCJGJYUMJ-IBGZPJMESA-N -1 3 308.381 3.405 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000484876533 435555266 /nfs/dbraw/zinc/55/52/66/435555266.db2.gz QTLRYLGVALWCEY-INIZCTEOSA-N -1 3 318.808 3.098 20 30 DGEDHM C=CCNC(=O)c1ccc(NC(=O)c2cccc(CC)c2[O-])cc1 ZINC000539842044 435576588 /nfs/dbraw/zinc/57/65/88/435576588.db2.gz QRNWUPCQKXANGD-UHFFFAOYSA-N -1 3 324.380 3.123 20 30 DGEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486089776 435589934 /nfs/dbraw/zinc/58/99/34/435589934.db2.gz MFXSMSWNAKVAQZ-NSHDSACASA-N -1 3 317.838 3.372 20 30 DGEDHM C#C[C@H](C)N(C)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000491716209 435798912 /nfs/dbraw/zinc/79/89/12/435798912.db2.gz MJOZFEXHHPIVBQ-JTQLQIEISA-N -1 3 312.207 3.007 20 30 DGEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646776125 435918916 /nfs/dbraw/zinc/91/89/16/435918916.db2.gz JXUHXQXNSDFMLR-UHFFFAOYSA-N -1 3 321.380 3.139 20 30 DGEDHM Cc1csc([N-]C(=O)c2coc(C3CCOCC3)n2)c1C#N ZINC000564187666 315161612 /nfs/dbraw/zinc/16/16/12/315161612.db2.gz BIKYEJHWTUVRBM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/34/13/23/517341323.db2.gz PMWXSYNGPMTVRX-GFCCVEGCSA-N -1 3 310.191 3.335 20 30 DGEDHM C=C(CC)CNCc1ccc(OC)c([O-])c1Br ZINC000449737387 534417597 /nfs/dbraw/zinc/41/75/97/534417597.db2.gz ZONDPZIAGKBOEM-UHFFFAOYSA-N -1 3 300.196 3.219 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000496380598 534671598 /nfs/dbraw/zinc/67/15/98/534671598.db2.gz QZOHMHWPXUIQQC-LBPRGKRZSA-N -1 3 320.389 3.198 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)/C=C/c1c(C)nn(CCCC)c1Cl ZINC000493259581 534671722 /nfs/dbraw/zinc/67/17/22/534671722.db2.gz NTJJXZYMTPRKLM-FBOQAHMBSA-N -1 3 311.813 3.281 20 30 DGEDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000180742437 534739022 /nfs/dbraw/zinc/73/90/22/534739022.db2.gz MWHQNDQSXUMNGL-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM N#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1F ZINC000339862872 534746798 /nfs/dbraw/zinc/74/67/98/534746798.db2.gz YFFZNIUTKREYKG-AWEZNQCLSA-N -1 3 304.708 3.179 20 30 DGEDHM O=C(CC1CCCCC1)NCCNC(=O)c1csc(=O)[n-]1 ZINC000329900621 534766387 /nfs/dbraw/zinc/76/63/87/534766387.db2.gz GGDVHABZPZUMMP-UHFFFAOYSA-N -1 3 311.407 3.080 20 30 DGEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)ccc1[O-] ZINC000342375582 526557531 /nfs/dbraw/zinc/55/75/31/526557531.db2.gz WKQZAPQACGPRLN-UHFFFAOYSA-N -1 3 315.369 3.004 20 30 DGEDHM CC(C)(C)OCc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354476585 526563901 /nfs/dbraw/zinc/56/39/01/526563901.db2.gz ZJAXJPIMIKLEHQ-HNNXBMFYSA-N -1 3 309.369 3.282 20 30 DGEDHM C=C(CNC(=O)Cc1ccc([O-])cc1Cl)c1ccccc1 ZINC000360212773 526866935 /nfs/dbraw/zinc/86/69/35/526866935.db2.gz KYCKRIIUBZLSQF-UHFFFAOYSA-N -1 3 301.773 3.418 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000336834731 527018157 /nfs/dbraw/zinc/01/81/57/527018157.db2.gz SBNHPJZKUIZDSL-UHFFFAOYSA-N -1 3 312.822 3.092 20 30 DGEDHM CC(=O)c1ccc(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[O-] ZINC000331232136 527220724 /nfs/dbraw/zinc/22/07/24/527220724.db2.gz ISLBEWPPUOUDNC-OLZOCXBDSA-N -1 3 318.417 3.020 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SC[C@@H]1CCCc2ccccc21 ZINC000348125399 527331962 /nfs/dbraw/zinc/33/19/62/527331962.db2.gz WDWSHPZPSIOKDF-ZDUSSCGKSA-N -1 3 301.415 3.382 20 30 DGEDHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160818416 527844583 /nfs/dbraw/zinc/84/45/83/527844583.db2.gz UVWXTSHBPATEKK-NSHDSACASA-N -1 3 314.838 3.315 20 30 DGEDHM CCCCO[C@@H]1C[C@@H](/N=C/c2ccc(O)c([O-])c2O)C1(C)C ZINC000176414339 528634668 /nfs/dbraw/zinc/63/46/68/528634668.db2.gz UYJJJPRXEQXFTF-DTVMNVQKSA-N -1 3 307.390 3.206 20 30 DGEDHM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435421163 528681999 /nfs/dbraw/zinc/68/19/99/528681999.db2.gz GIUQCYBGJFKEFO-VXGBXAGGSA-N -1 3 312.460 3.113 20 30 DGEDHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443499634 529229244 /nfs/dbraw/zinc/22/92/44/529229244.db2.gz IKHYTWXRLFBXGI-GWCFXTLKSA-N -1 3 312.822 3.069 20 30 DGEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281651653 546388440 /nfs/dbraw/zinc/38/84/40/546388440.db2.gz YNOSODLTHWSCKT-KDOFPFPSSA-N -1 3 311.381 3.256 20 30 DGEDHM C=CCC(C)(C)C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000294735949 546423868 /nfs/dbraw/zinc/42/38/68/546423868.db2.gz BZXOGQHVYCYIST-UHFFFAOYSA-N -1 3 300.362 3.021 20 30 DGEDHM N#CC(=C([O-])c1cnn2c1CCCC2)c1ccc2ccccc2n1 ZINC000676771035 548412172 /nfs/dbraw/zinc/41/21/72/548412172.db2.gz KBWTWSMJEPHJHT-CQSZACIVSA-N -1 3 316.364 3.258 20 30 DGEDHM N#CC(=C([O-])c1ccc(OC2CCCC2)cc1)c1ccncn1 ZINC000680617698 549075920 /nfs/dbraw/zinc/07/59/20/549075920.db2.gz BKKWNZYJGXJJPV-MRXNPFEDSA-N -1 3 307.353 3.288 20 30 DGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc([O-])cs1 ZINC000731871471 574560623 /nfs/dbraw/zinc/56/06/23/574560623.db2.gz MGEHZOBDYRDUDM-UHFFFAOYSA-N -1 3 303.383 3.291 20 30 DGEDHM N#Cc1ccc(SCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737723023 574567016 /nfs/dbraw/zinc/56/70/16/574567016.db2.gz NQYYEIRDTLSSMM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(SCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000737723023 574567019 /nfs/dbraw/zinc/56/70/19/574567019.db2.gz NQYYEIRDTLSSMM-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM C=CC1CCN(Cc2cc(=O)oc3cc([O-])c(CC)cc23)CC1 ZINC000732205941 574568278 /nfs/dbraw/zinc/56/82/78/574568278.db2.gz JSUFARVJYCHEGP-UHFFFAOYSA-N -1 3 313.397 3.459 20 30 DGEDHM CN(C)C(=O)[C@@H]1CCC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000734096659 574650938 /nfs/dbraw/zinc/65/09/38/574650938.db2.gz PDLBPEDDMVTXON-PYTCVGRBSA-N -1 3 308.809 3.112 20 30 DGEDHM C[S@](=O)Cc1ccc(Cl)c(N=Cc2cccc([O-])c2O)c1 ZINC000735229118 574691916 /nfs/dbraw/zinc/69/19/16/574691916.db2.gz RMALCZAGKDJMQX-NRFANRHFSA-N -1 3 323.801 3.380 20 30 DGEDHM C=CCC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735410114 574700103 /nfs/dbraw/zinc/70/01/03/574700103.db2.gz UNZGLSAJPWWLSL-UHFFFAOYSA-N -1 3 322.347 3.398 20 30 DGEDHM C=CCC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735410114 574700107 /nfs/dbraw/zinc/70/01/07/574700107.db2.gz UNZGLSAJPWWLSL-UHFFFAOYSA-N -1 3 322.347 3.398 20 30 DGEDHM C=CCCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000735413690 574700285 /nfs/dbraw/zinc/70/02/85/574700285.db2.gz XTYJQVPVWQRZEG-UHFFFAOYSA-N -1 3 301.419 3.199 20 30 DGEDHM C=CCCCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000735413690 574700286 /nfs/dbraw/zinc/70/02/86/574700286.db2.gz XTYJQVPVWQRZEG-UHFFFAOYSA-N -1 3 301.419 3.199 20 30 DGEDHM C=CCCCN(C)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735413455 574700441 /nfs/dbraw/zinc/70/04/41/574700441.db2.gz VLIYNUOTKGDKCN-UHFFFAOYSA-N -1 3 311.311 3.288 20 30 DGEDHM C=CCCCN(C)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735413455 574700443 /nfs/dbraw/zinc/70/04/43/574700443.db2.gz VLIYNUOTKGDKCN-UHFFFAOYSA-N -1 3 311.311 3.288 20 30 DGEDHM N#Cc1ccccc1COC(=O)c1c[n-]c(-c2ccccc2)n1 ZINC000735957473 574723269 /nfs/dbraw/zinc/72/32/69/574723269.db2.gz BAZJHMRMHWCGKS-UHFFFAOYSA-N -1 3 303.321 3.305 20 30 DGEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000736139354 574732925 /nfs/dbraw/zinc/73/29/25/574732925.db2.gz QELVAGGEPKZGHQ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000736139354 574732926 /nfs/dbraw/zinc/73/29/26/574732926.db2.gz QELVAGGEPKZGHQ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM CCC(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(OC)c1 ZINC000736302325 574741275 /nfs/dbraw/zinc/74/12/75/574741275.db2.gz CRRWDCPBBMWKOS-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CCC(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(OC)c1 ZINC000736302325 574741276 /nfs/dbraw/zinc/74/12/76/574741276.db2.gz CRRWDCPBBMWKOS-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM Cc1cc(C(C)(C)C)cc(C)c1Cn1ccc(C=N[O-])nc1=O ZINC000736303333 574741426 /nfs/dbraw/zinc/74/14/26/574741426.db2.gz YFBQAHGPGTZFET-UHFFFAOYSA-N -1 3 313.401 3.014 20 30 DGEDHM CCN(CC)c1ccc(/C=[NH+]/C2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC000737088936 574822939 /nfs/dbraw/zinc/82/29/39/574822939.db2.gz OEWTXPWMGGGGJS-XDHOZWIPSA-N -1 3 318.417 3.301 20 30 DGEDHM CCOc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737210516 574827350 /nfs/dbraw/zinc/82/73/50/574827350.db2.gz KROJFBQABBVNQF-ACJLOTCBSA-N -1 3 324.380 3.433 20 30 DGEDHM CN(Cc1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737472651 574847391 /nfs/dbraw/zinc/84/73/91/574847391.db2.gz UTEMXGBTGTUCKK-INIZCTEOSA-N -1 3 314.772 3.469 20 30 DGEDHM CN(Cc1cccc(Cl)c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737486417 574848021 /nfs/dbraw/zinc/84/80/21/574848021.db2.gz KQLGBAKLNUYYRC-INIZCTEOSA-N -1 3 314.772 3.469 20 30 DGEDHM O=C1c2cc(Cl)ccc2OC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738290057 574864442 /nfs/dbraw/zinc/86/44/42/574864442.db2.gz MMNGCTUVRIUMOI-AUWJEWJLSA-N -1 3 324.727 3.136 20 30 DGEDHM O=C1c2cc(Cl)ccc2OC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738290057 574864443 /nfs/dbraw/zinc/86/44/43/574864443.db2.gz MMNGCTUVRIUMOI-AUWJEWJLSA-N -1 3 324.727 3.136 20 30 DGEDHM N#CC1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000739066576 574890402 /nfs/dbraw/zinc/89/04/02/574890402.db2.gz PMMGIZPLDUJOLX-UHFFFAOYSA-N -1 3 300.383 3.335 20 30 DGEDHM C=CCc1cc(OCC)cc(CN(C)Cc2ccon2)c1[O-] ZINC000739880625 574914572 /nfs/dbraw/zinc/91/45/72/574914572.db2.gz SZBJSKRXPPIIRY-UHFFFAOYSA-N -1 3 302.374 3.139 20 30 DGEDHM CO[C@H](C/N=C/c1ccc(O)c([O-])c1O)c1ccc(Cl)cc1 ZINC000741755334 574968743 /nfs/dbraw/zinc/96/87/43/574968743.db2.gz CVJLWVVJZQYURW-GHIJENOOSA-N -1 3 321.760 3.263 20 30 DGEDHM N#C[C@H]1COCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000742164126 574983350 /nfs/dbraw/zinc/98/33/50/574983350.db2.gz IZGVDARYVLXPPN-ZDUSSCGKSA-N -1 3 308.337 3.016 20 30 DGEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNc1cccc(F)c1F ZINC000743443366 575051697 /nfs/dbraw/zinc/05/16/97/575051697.db2.gz WWRQRCIMWPROTG-UHFFFAOYSA-N -1 3 305.259 3.181 20 30 DGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C)c1 ZINC000744026954 575069059 /nfs/dbraw/zinc/06/90/59/575069059.db2.gz CEYQLFZBDRGCMP-SAAWKEMMSA-N -1 3 314.385 3.335 20 30 DGEDHM [O-]c1ccccc1/C=N\[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000730147040 575276257 /nfs/dbraw/zinc/27/62/57/575276257.db2.gz JYUHQDYNEIXUQU-FHOUHHFSSA-N -1 3 302.324 3.368 20 30 DGEDHM COc1cccc([O-])c1/C=N/CCOc1ccc(F)c(F)c1 ZINC000730146634 575276363 /nfs/dbraw/zinc/27/63/63/575276363.db2.gz CJWMHERUFIVAFK-VXLYETTFSA-N -1 3 307.296 3.177 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1[O-] ZINC000745990422 575426388 /nfs/dbraw/zinc/42/63/88/575426388.db2.gz DNUKDVVBHHLCNM-HSCRQFJHSA-N -1 3 302.418 3.366 20 30 DGEDHM CS(=O)(=O)Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000746684299 575470085 /nfs/dbraw/zinc/47/00/85/575470085.db2.gz XRLRNPGPDVDWCH-UHFFFAOYSA-N -1 3 323.801 3.341 20 30 DGEDHM COc1ccc(C(C)=NNc2cc([N+](=O)[O-])ccc2C)c([O-])c1 ZINC000747061207 575493400 /nfs/dbraw/zinc/49/34/00/575493400.db2.gz DMXOUFQFKFEIMU-UHFFFAOYSA-N -1 3 315.329 3.454 20 30 DGEDHM COc1cccc([O-])c1C=NNc1cc([N+](=O)[O-])ccc1C ZINC000747062140 575494299 /nfs/dbraw/zinc/49/42/99/575494299.db2.gz TWQHQHKHHGBRJO-UHFFFAOYSA-N -1 3 301.302 3.063 20 30 DGEDHM COc1ccc([C@H](C)C(C)N=Nc2cn[n-]c(=O)c2Cl)cc1 ZINC000747630147 575527946 /nfs/dbraw/zinc/52/79/46/575527946.db2.gz QMOSHIHNJPIUBG-SECBINFHSA-N -1 3 320.780 3.436 20 30 DGEDHM Cc1ccc2c(CC/N=C/c3ccc(O)c([O-])c3O)c[nH]c2c1 ZINC000749450966 575657099 /nfs/dbraw/zinc/65/70/99/575657099.db2.gz GIFYUSYEPCGTOH-DJKKODMXSA-N -1 3 310.353 3.255 20 30 DGEDHM CCOc1ccc(/C=N\[C@@H]2CCC[C@H]([S@](=O)CC)C2)c([O-])c1 ZINC000749931681 575688917 /nfs/dbraw/zinc/68/89/17/575688917.db2.gz SZZVTYKMKOKPRX-ULKXJIROSA-N -1 3 323.458 3.290 20 30 DGEDHM Cc1cccnc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000750684196 575745201 /nfs/dbraw/zinc/74/52/01/575745201.db2.gz MWVAXJKMAXBZSU-NSHDSACASA-N -1 3 313.744 3.005 20 30 DGEDHM COCc1nc2cc(N=Cc3c([O-])cccc3OC)ccc2o1 ZINC000750818646 575753564 /nfs/dbraw/zinc/75/35/64/575753564.db2.gz YWUNZULEYQEWQH-UHFFFAOYSA-N -1 3 312.325 3.439 20 30 DGEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1sc(C(C)C)nc1C ZINC000751130466 575771471 /nfs/dbraw/zinc/77/14/71/575771471.db2.gz LPQPZLYGEHOWRV-UHFFFAOYSA-N -1 3 315.406 3.077 20 30 DGEDHM Cc1ccc2cccc(N=Cc3c([O-])c(C)ncc3CO)c2n1 ZINC000727265045 576115799 /nfs/dbraw/zinc/11/57/99/576115799.db2.gz GHVOLKCCIWFHDG-UHFFFAOYSA-N -1 3 307.353 3.195 20 30 DGEDHM CC(N=Nc1nc(-c2ccccc2)no1)c1ccc(F)cc1[O-] ZINC000727778284 576144940 /nfs/dbraw/zinc/14/49/40/576144940.db2.gz AZPZUYSHUKRFTB-UHFFFAOYSA-N -1 3 312.304 3.417 20 30 DGEDHM COc1cccc([O-])c1/C=N/[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000728225967 576170351 /nfs/dbraw/zinc/17/03/51/576170351.db2.gz BXJNIBOPMGVSGD-DQAKUKQTSA-N -1 3 324.380 3.100 20 30 DGEDHM Cc1ccc(C(C)(C)C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000728437603 576181784 /nfs/dbraw/zinc/18/17/84/576181784.db2.gz FNJOPRCKHGNHRG-KEBDBYFISA-N -1 3 312.413 3.293 20 30 DGEDHM CCOc1cc(/C=C2\CCn3nccc3C2=O)cc(Cl)c1[O-] ZINC000853009947 620659891 /nfs/dbraw/zinc/65/98/91/620659891.db2.gz SVDMHRUBPRENBT-YRNVUSSQSA-N -1 3 318.760 3.311 20 30 DGEDHM CCc1nc2cc(N=Cc3c([O-])c(C)ncc3CO)ccc2o1 ZINC000917558877 620674627 /nfs/dbraw/zinc/67/46/27/620674627.db2.gz BDIKEMUPUJCFIR-UHFFFAOYSA-N -1 3 311.341 3.042 20 30 DGEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccccc1C(F)(F)F ZINC000917555743 620675416 /nfs/dbraw/zinc/67/54/16/620675416.db2.gz NWPUZUPOIYXPRE-UHFFFAOYSA-N -1 3 320.278 3.208 20 30 DGEDHM [O-]c1ccc(F)c(C=NNc2nccnc2C2CCC2)c1F ZINC000807991099 617753036 /nfs/dbraw/zinc/75/30/36/617753036.db2.gz GCPDORJKUJOJFT-UHFFFAOYSA-N -1 3 304.300 3.174 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1cc(F)ccc1Br ZINC000846551177 617770742 /nfs/dbraw/zinc/77/07/42/617770742.db2.gz XLYWMTDFPSPPFE-VIFPVBQESA-N -1 3 316.170 3.143 20 30 DGEDHM CC(C)(C)OCc1cc(C(=O)[N-]c2cc(C#N)ccc2F)no1 ZINC000891450530 617804426 /nfs/dbraw/zinc/80/44/26/617804426.db2.gz HTHUWYACQYJGSI-UHFFFAOYSA-N -1 3 317.320 3.253 20 30 DGEDHM N#CC[C@@H](NCc1ccc(Br)cc1[O-])C(F)(F)F ZINC000896697422 618947550 /nfs/dbraw/zinc/94/75/50/618947550.db2.gz SNSWTLKDXBAPCH-SNVBAGLBSA-N -1 3 323.112 3.089 20 30 DGEDHM CCOc1cc(CNCc2nc(C#N)cs2)cc(Cl)c1[O-] ZINC000897629034 619169083 /nfs/dbraw/zinc/16/90/83/619169083.db2.gz FMDZJQBHQCTLTO-UHFFFAOYSA-N -1 3 323.805 3.062 20 30 DGEDHM O=C(CCOCc1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000900094553 619404006 /nfs/dbraw/zinc/40/40/06/619404006.db2.gz PNARWTKRSHRXDT-UHFFFAOYSA-N -1 3 303.333 3.150 20 30 DGEDHM O=C([C@@H]1CCCc2cccnc21)N([O-])Cc1ccc(F)cc1 ZINC000900094216 619404177 /nfs/dbraw/zinc/40/41/77/619404177.db2.gz JLAZSOGPEBKARR-OAHLLOKOSA-N -1 3 300.333 3.059 20 30 DGEDHM C[C@H]1OCC[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900095411 619404291 /nfs/dbraw/zinc/40/42/91/619404291.db2.gz CFBUGKRSJSAFFW-PELKAZGASA-N -1 3 304.173 3.136 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC000900678478 619444887 /nfs/dbraw/zinc/44/48/87/619444887.db2.gz IPWPJSOHMKJTEU-SHTZXODSSA-N -1 3 320.437 3.245 20 30 DGEDHM O=C(c1cnn(C2CCC2)c1)N([O-])Cc1ccccc1Cl ZINC000900680154 619445065 /nfs/dbraw/zinc/44/50/65/619445065.db2.gz ZLNKADXPFADVBG-UHFFFAOYSA-N -1 3 305.765 3.293 20 30 DGEDHM CC(C)c1cc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)on1 ZINC000900717396 619446769 /nfs/dbraw/zinc/44/67/69/619446769.db2.gz GXNMHUXTBLZPEU-UHFFFAOYSA-N -1 3 319.311 3.078 20 30 DGEDHM Cc1nc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)sc1C ZINC000900903322 619459239 /nfs/dbraw/zinc/45/92/39/619459239.db2.gz AGTNDYPMXZVNRM-UHFFFAOYSA-N -1 3 321.352 3.040 20 30 DGEDHM CO[C@H](C)c1nc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC000901372645 619490057 /nfs/dbraw/zinc/49/00/57/619490057.db2.gz JYVDHATWNSRZOB-SNVBAGLBSA-N -1 3 324.377 3.330 20 30 DGEDHM COc1ccc(C[C@H](C)C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901372012 619490437 /nfs/dbraw/zinc/49/04/37/619490437.db2.gz MQJLEOWTVGGLPV-ZDUSSCGKSA-N -1 3 317.360 3.431 20 30 DGEDHM COc1cc(C)cc(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC000901372022 619490514 /nfs/dbraw/zinc/49/05/14/619490514.db2.gz NDKOYUAORLYMIC-UHFFFAOYSA-N -1 3 303.333 3.483 20 30 DGEDHM CCn1ncc(C(=O)N([O-])Cc2cccc3ccccc32)c1C ZINC000901369410 619490734 /nfs/dbraw/zinc/49/07/34/619490734.db2.gz BZQZLHDZZJPCBW-UHFFFAOYSA-N -1 3 309.369 3.396 20 30 DGEDHM O=C(c1cncnc1-c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC000901373221 619491550 /nfs/dbraw/zinc/49/15/50/619491550.db2.gz UKIJZXOWUUZJBC-UHFFFAOYSA-N -1 3 323.327 3.314 20 30 DGEDHM Cc1cc([N+](=O)[O-])ccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374004 619491587 /nfs/dbraw/zinc/49/15/87/619491587.db2.gz BXJRBWIYPLWNBI-UHFFFAOYSA-N -1 3 304.277 3.074 20 30 DGEDHM COc1ccc(Cl)cc1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375058 619491980 /nfs/dbraw/zinc/49/19/80/619491980.db2.gz AVJQMLXDHSMTRS-UHFFFAOYSA-N -1 3 323.751 3.448 20 30 DGEDHM O=C(CCc1cc(F)ccc1F)N([O-])Cc1ccc(F)cc1 ZINC000901374953 619491989 /nfs/dbraw/zinc/49/19/89/619491989.db2.gz XXHGLBZTXBFOLN-UHFFFAOYSA-N -1 3 309.287 3.455 20 30 DGEDHM O=C(c1cccnc1C(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000901376331 619491992 /nfs/dbraw/zinc/49/19/92/619491992.db2.gz RDWAAQHRNJWUBM-UHFFFAOYSA-N -1 3 314.238 3.271 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2cn(C)nc2C(C)(C)C)cc(O)c1[O-] ZINC000901527391 619511482 /nfs/dbraw/zinc/51/14/82/619511482.db2.gz YXSOKVVTPBPPAO-VOTSOKGWSA-N -1 3 314.385 3.333 20 30 DGEDHM CC(=NNCCc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000789103250 625363767 /nfs/dbraw/zinc/36/37/67/625363767.db2.gz QPWPVVLMGYYMFQ-UHFFFAOYSA-N -1 3 305.381 3.497 20 30 DGEDHM COc1cc(CN[C@H](CC(=O)[O-])c2cccc(C)c2)ccc1C#N ZINC000904045116 619863610 /nfs/dbraw/zinc/86/36/10/619863610.db2.gz HBBDSUBYNLMUEX-QGZVFWFLSA-N -1 3 324.380 3.181 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-][C@](C)(C#N)C(C)(C)C)c1 ZINC000904181899 619889076 /nfs/dbraw/zinc/88/90/76/619889076.db2.gz SUZMGOCFFUSMDT-OAHLLOKOSA-N -1 3 310.344 3.232 20 30 DGEDHM Cn1nc(C(=O)N([O-])Cc2cccc3ccccc32)cc1C1CC1 ZINC000904171003 619891372 /nfs/dbraw/zinc/89/13/72/619891372.db2.gz HWDKWBPGTNDKIB-UHFFFAOYSA-N -1 3 321.380 3.482 20 30 DGEDHM CC(C)(C)c1cnc(CCC(=O)N([O-])Cc2ccc(F)cc2)o1 ZINC000904173414 619891821 /nfs/dbraw/zinc/89/18/21/619891821.db2.gz MEZAATWDPKUEMN-UHFFFAOYSA-N -1 3 320.364 3.462 20 30 DGEDHM CC(C)C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)n1ccnc1 ZINC000904177872 619892812 /nfs/dbraw/zinc/89/28/12/619892812.db2.gz QZMRMLAFLHPGLP-HNNXBMFYSA-N -1 3 305.353 3.027 20 30 DGEDHM CCCCN([O-])C(=O)CCCc1nc(-c2ccc(F)cc2)no1 ZINC000904209155 619894236 /nfs/dbraw/zinc/89/42/36/619894236.db2.gz WMMDRITVQNOBNO-UHFFFAOYSA-N -1 3 321.352 3.216 20 30 DGEDHM Cc1nn(C)c(C)c1[C@H](C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188728 619894435 /nfs/dbraw/zinc/89/44/35/619894435.db2.gz LOZXPOZKYRXXLJ-JTQLQIEISA-N -1 3 321.808 3.212 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H](NC(C)=O)c1ccccc1 ZINC000904205509 619898503 /nfs/dbraw/zinc/89/85/03/619898503.db2.gz KOYHBDOJKBXHQO-MRXNPFEDSA-N -1 3 306.406 3.052 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccc(OCc2ccncc2)cc1 ZINC000904215907 619898618 /nfs/dbraw/zinc/89/86/18/619898618.db2.gz PQYUWUIVELDLDR-UHFFFAOYSA-N -1 3 314.385 3.221 20 30 DGEDHM COc1cccc(C(F)(F)C(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000906723024 620116908 /nfs/dbraw/zinc/11/69/08/620116908.db2.gz YYJHDSNBUGLVOZ-BLLLJJGKSA-N -1 3 322.355 3.376 20 30 DGEDHM C#C[C@H](CCC)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907707879 620169298 /nfs/dbraw/zinc/16/92/98/620169298.db2.gz SRUIIMCIZXBEFC-SNVBAGLBSA-N -1 3 323.418 3.022 20 30 DGEDHM Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)c2cccnc12 ZINC000912782418 620406773 /nfs/dbraw/zinc/40/67/73/620406773.db2.gz RLIIVJQPZAHYFK-UHFFFAOYSA-N -1 3 307.353 3.195 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CCc2ccc3ccccc3c2)c1[O-] ZINC000915113066 620568465 /nfs/dbraw/zinc/56/84/65/620568465.db2.gz MTCAOUCPBLTVTN-MTJSOVHGSA-N -1 3 320.392 3.403 20 30 DGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1cccc(C(F)(F)F)c1 ZINC000915938936 620608756 /nfs/dbraw/zinc/60/87/56/620608756.db2.gz IJWNDLXZUFHNMS-UHFFFAOYSA-N -1 3 321.258 3.179 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)Cc2ccccc2Cl)c1[O-] ZINC000915980022 620610733 /nfs/dbraw/zinc/61/07/33/620610733.db2.gz WRESAKVOVBFHSO-LOMXTUQMSA-N -1 3 318.804 3.291 20 30 DGEDHM C=CCCO[N-]C(=O)CCCc1ccc(Br)s1 ZINC000856029577 620955367 /nfs/dbraw/zinc/95/53/67/620955367.db2.gz UFYNDHWNTUOWFM-UHFFFAOYSA-N -1 3 318.236 3.457 20 30 DGEDHM N#CC[C@H](NCc1c([O-])cccc1Br)C(F)(F)F ZINC000922650105 621073860 /nfs/dbraw/zinc/07/38/60/621073860.db2.gz LHALSGRCYZIJQV-JTQLQIEISA-N -1 3 323.112 3.089 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1C[C@H]1c1ccco1 ZINC000860852963 621450731 /nfs/dbraw/zinc/45/07/31/621450731.db2.gz BOEPPOBELLXAFS-OAGGEKHMSA-N -1 3 319.360 3.393 20 30 DGEDHM CC(=NO[C@@H]1CCCCO1)c1cc(Br)ccc1[O-] ZINC000755818648 621595866 /nfs/dbraw/zinc/59/58/66/621595866.db2.gz SZTYAWXRXCZDFQ-CYBMUJFWSA-N -1 3 314.179 3.422 20 30 DGEDHM Cc1ccnc(NN=Cc2cc(O)c([O-])c(Br)c2)c1 ZINC000757584526 621726435 /nfs/dbraw/zinc/72/64/35/621726435.db2.gz PEMBZBXCOJICEU-UHFFFAOYSA-N -1 3 322.162 3.010 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2c(C3CCC3)cnn2C)cc(O)c1[O-] ZINC000864086500 621735165 /nfs/dbraw/zinc/73/51/65/621735165.db2.gz GODYLUAWNAQEPN-VOTSOKGWSA-N -1 3 312.369 3.303 20 30 DGEDHM C[C@H]1C[C@H]1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000758371429 621777992 /nfs/dbraw/zinc/77/79/92/621777992.db2.gz KGCJHNMWGZGTNN-JQWIXIFHSA-N -1 3 304.444 3.349 20 30 DGEDHM C[C@@H]1CCC[C@@H]([C@H](CNCc2nc(C#N)cs2)CC(=O)[O-])C1 ZINC000864532875 621780572 /nfs/dbraw/zinc/78/05/72/621780572.db2.gz JLKJPAQSIWELDE-UPJWGTAASA-N -1 3 321.446 3.022 20 30 DGEDHM COC[C@H](N[C@H](C)c1cccc(C#N)c1[O-])c1ccc(C)o1 ZINC000866277721 622083315 /nfs/dbraw/zinc/08/33/15/622083315.db2.gz PNITZHPFKKSDLF-DOMZBBRYSA-N -1 3 300.358 3.204 20 30 DGEDHM C[C@H](N[C@H](CCO)c1ccccc1F)c1cccc(C#N)c1[O-] ZINC000866381135 622107172 /nfs/dbraw/zinc/10/71/72/622107172.db2.gz HYEOJLGQBBAEHC-YVEFUNNKSA-N -1 3 314.360 3.177 20 30 DGEDHM C=CCCC[C@@H](C)OC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000765487342 622268279 /nfs/dbraw/zinc/26/82/79/622268279.db2.gz DQLOBUVRFBPERV-LLVKDONJSA-N -1 3 307.346 3.472 20 30 DGEDHM O=c1[n-]c(N=NCC2Cc3ccccc3C2)nc2ccccc21 ZINC000766454029 622330950 /nfs/dbraw/zinc/33/09/50/622330950.db2.gz GMQQNARUSVETCP-UHFFFAOYSA-N -1 3 304.353 3.148 20 30 DGEDHM Cc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000768761994 622474955 /nfs/dbraw/zinc/47/49/55/622474955.db2.gz BVSWRKBMHQLZKV-LBPRGKRZSA-N -1 3 313.744 3.005 20 30 DGEDHM O=C1c2ccccc2CCN1N=Cc1c([O-])cccc1Cl ZINC000769594526 622543049 /nfs/dbraw/zinc/54/30/49/622543049.db2.gz QIVMNGNPBJKCDQ-UHFFFAOYSA-N -1 3 300.745 3.078 20 30 DGEDHM C#CCN(CC#CC)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000769914503 622575854 /nfs/dbraw/zinc/57/58/54/622575854.db2.gz RXIIXFGFJVQKCR-UHFFFAOYSA-N -1 3 317.388 3.082 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc(Cl)n1 ZINC000123682237 622641120 /nfs/dbraw/zinc/64/11/20/622641120.db2.gz VDAMDZYYRKEJRW-GFCCVEGCSA-N -1 3 324.771 3.420 20 30 DGEDHM COc1cc(/C=C2\Cc3c(cccc3[O-])C2=O)ccc1[N+](=O)[O-] ZINC000770571780 622647077 /nfs/dbraw/zinc/64/70/77/622647077.db2.gz XGPFAWYENKWMSN-YRNVUSSQSA-N -1 3 311.293 3.131 20 30 DGEDHM CCN(CC)c1ccnc(N=NC(C)c2cccc([O-])c2F)n1 ZINC000872356741 622895375 /nfs/dbraw/zinc/89/53/75/622895375.db2.gz ANVBCIIYTPGVEA-UHFFFAOYSA-N -1 3 317.368 3.004 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCSC1 ZINC000790599526 625676453 /nfs/dbraw/zinc/67/64/53/625676453.db2.gz ZXERSFWERXQILY-DUJAKZANSA-N -1 3 300.221 3.327 20 30 DGEDHM CC(C)(C)c1ccc(NN=C2c3ccc([O-])cc3NC2=O)cc1 ZINC000779824443 623815547 /nfs/dbraw/zinc/81/55/47/623815547.db2.gz AQLKVRIIGVQICV-UHFFFAOYSA-N -1 3 309.369 3.458 20 30 DGEDHM COC(=O)c1cccc(NN=C(C)c2ccc([O-])cc2F)c1 ZINC000779828566 623816342 /nfs/dbraw/zinc/81/63/42/623816342.db2.gz XKHIWLLJRYIKTF-UHFFFAOYSA-N -1 3 302.305 3.154 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ncccc1F ZINC000129561709 625691773 /nfs/dbraw/zinc/69/17/73/625691773.db2.gz UOGTVNBRDCXSPY-FRKPEAEDSA-N -1 3 309.138 3.308 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CC[C@H](Cc3ccccc3)C2)c1[O-] ZINC000782193760 624217861 /nfs/dbraw/zinc/21/78/61/624217861.db2.gz FKBAFPPWHVCYHM-FEHAJIJNSA-N -1 3 324.424 3.418 20 30 DGEDHM CC(C)(C#N)CCN1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000879448013 624551837 /nfs/dbraw/zinc/55/18/37/624551837.db2.gz VOHXNICMISELHQ-UHFFFAOYSA-N -1 3 321.852 3.103 20 30 DGEDHM C=C[C@](C)(CC)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784880141 624592408 /nfs/dbraw/zinc/59/24/08/624592408.db2.gz UXXBKMWVGCOIJU-MRXNPFEDSA-N -1 3 302.330 3.088 20 30 DGEDHM CCCCCCCCCC(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC000880515807 624970679 /nfs/dbraw/zinc/97/06/79/624970679.db2.gz HDJNXRZRKTXVGD-UHFFFAOYSA-N -1 3 311.451 3.228 20 30 DGEDHM N#CCCn1cc(C=Cc2nccc(=O)[n-]2)c(-c2ccccc2)n1 ZINC000788357466 625136032 /nfs/dbraw/zinc/13/60/32/625136032.db2.gz ZWBPUFFYUYGACR-FPLPWBNLSA-N -1 3 317.352 3.130 20 30 DGEDHM COc1cc(C=CC(=O)c2cc[nH]c(=O)c2)cc(Cl)c1[O-] ZINC000791433080 625801308 /nfs/dbraw/zinc/80/13/08/625801308.db2.gz PKUSPJSECWZZQQ-IHWYPQMZSA-N -1 3 305.717 3.051 20 30 DGEDHM CCc1c(C)sc([N-]C(=O)c2ccnc(F)c2F)c1C#N ZINC000791567701 625826460 /nfs/dbraw/zinc/82/64/60/625826460.db2.gz JWRGZQTVZCQULK-UHFFFAOYSA-N -1 3 307.325 3.416 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(-n3cccn3)cc2)ccc1[O-] ZINC000026133487 625848787 /nfs/dbraw/zinc/84/87/87/625848787.db2.gz YQMKCVLEUCZPIE-WEVVVXLNSA-N -1 3 320.348 3.483 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)CC(C)C ZINC000798584472 626228924 /nfs/dbraw/zinc/22/89/24/626228924.db2.gz SDMVJVWROONXCK-GFCCVEGCSA-N -1 3 318.417 3.434 20 30 DGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccoc2C2CC2)c1 ZINC000798816206 626247738 /nfs/dbraw/zinc/24/77/38/626247738.db2.gz ITGJFRBFZDWXLJ-OAHLLOKOSA-N -1 3 324.336 3.127 20 30 DGEDHM Cc1cc(C)nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000802031504 626429452 /nfs/dbraw/zinc/42/94/52/626429452.db2.gz GKFYCLZLONKDLJ-CYBMUJFWSA-N -1 3 304.353 3.075 20 30 DGEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cn2c(n1)CCCC2 ZINC000806566115 626722232 /nfs/dbraw/zinc/72/22/32/626722232.db2.gz YPMGEDSSOZJOQD-GQCTYLIASA-N -1 3 304.296 3.099 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCSCc2ccccc2)c1 ZINC000811185200 627254539 /nfs/dbraw/zinc/25/45/39/627254539.db2.gz ICPQHGRZSZSYER-UHFFFAOYSA-N -1 3 313.378 3.354 20 30 DGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(F)cc1 ZINC000812751423 627416326 /nfs/dbraw/zinc/41/63/26/627416326.db2.gz USPFHHVDBDBGBZ-HNNXBMFYSA-N -1 3 303.283 3.408 20 30 DGEDHM C(=NNc1cccc2c1CCCC2)c1cc(-c2nnn[n-]2)cs1 ZINC000819718988 628183388 /nfs/dbraw/zinc/18/33/88/628183388.db2.gz WIGWSQXCIVSAHN-UHFFFAOYSA-N -1 3 324.413 3.253 20 30 DGEDHM C(=NNc1cccc2c1CCCC2)c1cc(-c2nn[n-]n2)cs1 ZINC000819718988 628183389 /nfs/dbraw/zinc/18/33/89/628183389.db2.gz WIGWSQXCIVSAHN-UHFFFAOYSA-N -1 3 324.413 3.253 20 30 DGEDHM C=CCCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819739724 628184711 /nfs/dbraw/zinc/18/47/11/628184711.db2.gz FHKGVYYRVMBZCD-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM C=CCCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819739724 628184716 /nfs/dbraw/zinc/18/47/16/628184716.db2.gz FHKGVYYRVMBZCD-UHFFFAOYSA-N -1 3 304.419 3.335 20 30 DGEDHM C=CCC(C)(C)CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000820500625 628266518 /nfs/dbraw/zinc/26/65/18/628266518.db2.gz IXOPKNAWTRQAAG-UHFFFAOYSA-N -1 3 320.339 3.138 20 30 DGEDHM C[C@@H]1C(N=Nc2ccc(-c3nnn[n-]3)cc2)C[C@H]1c1ccccc1 ZINC000820642691 628281977 /nfs/dbraw/zinc/28/19/77/628281977.db2.gz KYZCULNJZVFTGI-BLLLJJGKSA-N -1 3 318.384 3.458 20 30 DGEDHM C[C@@H]1C(N=Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1c1ccccc1 ZINC000820642691 628281980 /nfs/dbraw/zinc/28/19/80/628281980.db2.gz KYZCULNJZVFTGI-BLLLJJGKSA-N -1 3 318.384 3.458 20 30 DGEDHM CCCCCC[C@H](C)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821050391 628332064 /nfs/dbraw/zinc/33/20/64/628332064.db2.gz RLJOUOONLXRYPZ-ZDUSSCGKSA-N -1 3 300.410 3.149 20 30 DGEDHM CCCCCC[C@H](C)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821050391 628332065 /nfs/dbraw/zinc/33/20/65/628332065.db2.gz RLJOUOONLXRYPZ-ZDUSSCGKSA-N -1 3 300.410 3.149 20 30 DGEDHM Cc1c(Cl)cccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822034589 628417120 /nfs/dbraw/zinc/41/71/20/628417120.db2.gz ICAYOIAUWAJOOV-UHFFFAOYSA-N -1 3 318.793 3.336 20 30 DGEDHM Cc1cc(F)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822204386 628429010 /nfs/dbraw/zinc/42/90/10/628429010.db2.gz NHWJXWDETFIPOD-ZZXKWVIFSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)O2 ZINC000822212706 628429862 /nfs/dbraw/zinc/42/98/62/628429862.db2.gz DESVTQCURLWARZ-CXUHLZMHSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)O2 ZINC000822212706 628429863 /nfs/dbraw/zinc/42/98/63/628429863.db2.gz DESVTQCURLWARZ-CXUHLZMHSA-N -1 3 318.336 3.100 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1C ZINC000822225046 628430906 /nfs/dbraw/zinc/43/09/06/628430906.db2.gz LNMFFJSBJZCSSW-AATRIKPKSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1C ZINC000822225046 628430908 /nfs/dbraw/zinc/43/09/08/628430908.db2.gz LNMFFJSBJZCSSW-AATRIKPKSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000822232861 628431807 /nfs/dbraw/zinc/43/18/07/628431807.db2.gz CJCQHWZHAAEUEN-XFXZXTDPSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000822232861 628431809 /nfs/dbraw/zinc/43/18/09/628431809.db2.gz CJCQHWZHAAEUEN-XFXZXTDPSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1cccc2c1CC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC000822341471 628442695 /nfs/dbraw/zinc/44/26/95/628442695.db2.gz XRQQIBQJDBWNEO-BJMVGYQFSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1cccc2c1CC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC000822341471 628442696 /nfs/dbraw/zinc/44/26/96/628442696.db2.gz XRQQIBQJDBWNEO-BJMVGYQFSA-N -1 3 308.366 3.059 20 30 DGEDHM Fc1c(Cl)cccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000822736587 628486678 /nfs/dbraw/zinc/48/66/78/628486678.db2.gz HKUHGXKDIKEXAP-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1c(Cl)cccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000822736587 628486682 /nfs/dbraw/zinc/48/66/82/628486682.db2.gz HKUHGXKDIKEXAP-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cc(NN=Cc2ccc(-c3nnn[n-]3)s2)ccc1Cl ZINC000822753993 628489816 /nfs/dbraw/zinc/48/98/16/628489816.db2.gz VODWAALEAZMJCT-UHFFFAOYSA-N -1 3 322.756 3.167 20 30 DGEDHM Fc1ccc(C2CC(N=Nc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000822767083 628491788 /nfs/dbraw/zinc/49/17/88/628491788.db2.gz WGBZQNLVOZXSIE-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM Fc1ccc(C2CC(N=Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000822767083 628491789 /nfs/dbraw/zinc/49/17/89/628491789.db2.gz WGBZQNLVOZXSIE-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM N#Cc1ccc(F)c(CSc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822829669 628499514 /nfs/dbraw/zinc/49/95/14/628499514.db2.gz CTAOPRZVRBGPAY-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(F)c(CSc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822829669 628499517 /nfs/dbraw/zinc/49/95/17/628499517.db2.gz CTAOPRZVRBGPAY-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(F)c(CSc2ccccc2-c2nnn[n-]2)c1 ZINC000822830231 628499860 /nfs/dbraw/zinc/49/98/60/628499860.db2.gz XZLTXKILDPHQJO-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(F)c(CSc2ccccc2-c2nn[n-]n2)c1 ZINC000822830231 628499862 /nfs/dbraw/zinc/49/98/62/628499862.db2.gz XZLTXKILDPHQJO-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(F)c1 ZINC000822922054 628509265 /nfs/dbraw/zinc/50/92/65/628509265.db2.gz CGKJPKDHZVGQMU-VOTSOKGWSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(F)c1 ZINC000822922054 628509266 /nfs/dbraw/zinc/50/92/66/628509266.db2.gz CGKJPKDHZVGQMU-VOTSOKGWSA-N -1 3 312.279 3.041 20 30 DGEDHM C=CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000823931852 628610813 /nfs/dbraw/zinc/61/08/13/628610813.db2.gz HVQMYGGWQQMWFL-UHFFFAOYSA-N -1 3 321.384 3.352 20 30 DGEDHM C=CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000823931852 628610815 /nfs/dbraw/zinc/61/08/15/628610815.db2.gz HVQMYGGWQQMWFL-UHFFFAOYSA-N -1 3 321.384 3.352 20 30 DGEDHM C=CCOc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823931805 628610969 /nfs/dbraw/zinc/61/09/69/628610969.db2.gz FRXAXSKITFBDIJ-UHFFFAOYSA-N -1 3 308.341 3.011 20 30 DGEDHM C=CCOc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823931805 628610971 /nfs/dbraw/zinc/61/09/71/628610971.db2.gz FRXAXSKITFBDIJ-UHFFFAOYSA-N -1 3 308.341 3.011 20 30 DGEDHM CC(N=Nc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823953812 628612982 /nfs/dbraw/zinc/61/29/82/628612982.db2.gz RCGCNSRXCLQHOG-UHFFFAOYSA-N -1 3 320.328 3.043 20 30 DGEDHM C=CCCCCCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000824274633 628645643 /nfs/dbraw/zinc/64/56/43/628645643.db2.gz JAYKHZBKHPDMBY-UHFFFAOYSA-N -1 3 320.339 3.283 20 30 DGEDHM C[C@H](C#N)CN(Cc1ccc(Br)cc1[O-])C1CC1 ZINC000824913464 628705650 /nfs/dbraw/zinc/70/56/50/628705650.db2.gz UCRGMYNAGBNTAZ-SNVBAGLBSA-N -1 3 309.207 3.279 20 30 DGEDHM COc1ccc(CSc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826208168 628832881 /nfs/dbraw/zinc/83/28/81/628832881.db2.gz WSYAGZQIXLBCJF-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(CSc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826208168 628832883 /nfs/dbraw/zinc/83/28/83/628832883.db2.gz WSYAGZQIXLBCJF-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826286239 628839751 /nfs/dbraw/zinc/83/97/51/628839751.db2.gz WMXZFLSNYXVHTL-ALCCZGGFSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826286239 628839752 /nfs/dbraw/zinc/83/97/52/628839752.db2.gz WMXZFLSNYXVHTL-ALCCZGGFSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826289025 628840214 /nfs/dbraw/zinc/84/02/14/628840214.db2.gz HFRUPVNADJOWIH-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826289025 628840218 /nfs/dbraw/zinc/84/02/18/628840218.db2.gz HFRUPVNADJOWIH-SOFGYWHQSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826290065 628841064 /nfs/dbraw/zinc/84/10/64/628841064.db2.gz YNYPRQMAFXMJON-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826290065 628841068 /nfs/dbraw/zinc/84/10/68/628841068.db2.gz YNYPRQMAFXMJON-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826296692 628841297 /nfs/dbraw/zinc/84/12/97/628841297.db2.gz GAPDOPKQFMOLEZ-ZHACJKMWSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826296692 628841298 /nfs/dbraw/zinc/84/12/98/628841298.db2.gz GAPDOPKQFMOLEZ-ZHACJKMWSA-N -1 3 304.353 3.380 20 30 DGEDHM Fc1c(Cl)cccc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826371722 628848264 /nfs/dbraw/zinc/84/82/64/628848264.db2.gz RJRVBBDWYXCXTC-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1c(Cl)cccc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826371722 628848267 /nfs/dbraw/zinc/84/82/67/628848267.db2.gz RJRVBBDWYXCXTC-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1ccc(CC=CN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826374394 628849521 /nfs/dbraw/zinc/84/95/21/628849521.db2.gz XNXZTLCBXOXOTM-XCSJNYROSA-N -1 3 308.320 3.117 20 30 DGEDHM Fc1ccc(CC=CN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826374394 628849524 /nfs/dbraw/zinc/84/95/24/628849524.db2.gz XNXZTLCBXOXOTM-XCSJNYROSA-N -1 3 308.320 3.117 20 30 DGEDHM N#Cc1cccc(CSc2ccc(-c3nnn[n-]3)cc2)c1F ZINC000826386835 628850811 /nfs/dbraw/zinc/85/08/11/628850811.db2.gz UTZCAFBGOKDVJJ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1cccc(CSc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826386835 628850815 /nfs/dbraw/zinc/85/08/15/628850815.db2.gz UTZCAFBGOKDVJJ-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)CCc2ccccc21 ZINC000826476062 628852597 /nfs/dbraw/zinc/85/25/97/628852597.db2.gz ZYGFHGCSBHSTBP-SDNWHVSQSA-N -1 3 302.337 3.079 20 30 DGEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)CCc2ccccc21 ZINC000826476062 628852612 /nfs/dbraw/zinc/85/26/12/628852612.db2.gz ZYGFHGCSBHSTBP-SDNWHVSQSA-N -1 3 302.337 3.079 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475836 628853144 /nfs/dbraw/zinc/85/31/44/628853144.db2.gz SKYGUHBVVAFBRO-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475836 628853145 /nfs/dbraw/zinc/85/31/45/628853145.db2.gz SKYGUHBVVAFBRO-NTUHNPAUSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826477006 628853208 /nfs/dbraw/zinc/85/32/08/628853208.db2.gz TUUOTBHZYVZCSU-KPKJPENVSA-N -1 3 322.755 3.343 20 30 DGEDHM O=C1c2cc(Cl)ccc2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826477006 628853212 /nfs/dbraw/zinc/85/32/12/628853212.db2.gz TUUOTBHZYVZCSU-KPKJPENVSA-N -1 3 322.755 3.343 20 30 DGEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000827718050 628985225 /nfs/dbraw/zinc/98/52/25/628985225.db2.gz NLTQFXRYLKEDRO-MGPLVRAMSA-N -1 3 316.307 3.313 20 30 DGEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000827718049 628985241 /nfs/dbraw/zinc/98/52/41/628985241.db2.gz NLTQFXRYLKEDRO-HWPZZCPQSA-N -1 3 316.307 3.313 20 30 DGEDHM CCOCc1ccccc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830021300 629217928 /nfs/dbraw/zinc/21/79/28/629217928.db2.gz GNMQZBIMTDJJJW-SFHVURJKSA-N -1 3 324.380 3.010 20 30 DGEDHM C#CC[C@@H](NCc1ccc(O[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000833360995 629591435 /nfs/dbraw/zinc/59/14/35/629591435.db2.gz UZNFIOHFBAHSRU-DNVCBOLYSA-N -1 3 323.392 3.393 20 30 DGEDHM C#CCN(Cc1ccccc1CC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000833364264 629592433 /nfs/dbraw/zinc/59/24/33/629592433.db2.gz IOKRGFOSMOIAJO-HXUWFJFHSA-N -1 3 319.404 3.436 20 30 DGEDHM CCS[C@@H]1CC[C@@H](N(C)Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833667866 629638506 /nfs/dbraw/zinc/63/85/06/629638506.db2.gz NAVBRFHGRJEKMQ-ZIAGYGMSSA-N -1 3 318.442 3.362 20 30 DGEDHM C#CCCCCC(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000837610492 630285576 /nfs/dbraw/zinc/28/55/76/630285576.db2.gz COFJFLSXBRLVNW-UHFFFAOYSA-N -1 3 310.353 3.086 20 30 DGEDHM Cc1c(Br)ccc([O-])c1NC(=O)C#CC(C)(C)C ZINC000837677763 630295953 /nfs/dbraw/zinc/29/59/53/630295953.db2.gz XHVYMVMKQCHUNK-UHFFFAOYSA-N -1 3 310.191 3.451 20 30 DGEDHM CC(C)(C/N=C/c1cc(Cl)ccc1[O-])C1(O)CCOCC1 ZINC000841481760 630440869 /nfs/dbraw/zinc/44/08/69/630440869.db2.gz CSWYRKJRMFEFRE-VCHYOVAHSA-N -1 3 311.809 3.032 20 30 DGEDHM COCC1(CC/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000843266087 630638578 /nfs/dbraw/zinc/63/85/78/630638578.db2.gz JVPMNDCJBWXPNZ-CXUHLZMHSA-N -1 3 312.207 3.390 20 30 DGEDHM C[C@@H](C#N)C[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843793850 630700997 /nfs/dbraw/zinc/70/09/97/630700997.db2.gz FNYNLSIVRSNGTN-ZETCQYMHSA-N -1 3 307.127 3.361 20 30 DGEDHM C=C(Br)CNCc1cccc(Br)c1[O-] ZINC000105453320 630712279 /nfs/dbraw/zinc/71/22/79/630712279.db2.gz YJODGFNUCHNGBD-UHFFFAOYSA-N -1 3 321.012 3.153 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000844489021 630734290 /nfs/dbraw/zinc/73/42/90/630734290.db2.gz GYWFEBKDDDDWBW-RYUDHWBXSA-N -1 3 324.450 3.003 20 30 DGEDHM N#CC(C(=O)CCC(F)(F)F)=C([O-])C1(c2ccccc2)CC1 ZINC000845840786 631198630 /nfs/dbraw/zinc/19/86/30/631198630.db2.gz FRTNSSCYSREMRZ-GFCCVEGCSA-N -1 3 309.287 3.339 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CCC(F)(F)F ZINC000845840786 631198632 /nfs/dbraw/zinc/19/86/32/631198632.db2.gz FRTNSSCYSREMRZ-GFCCVEGCSA-N -1 3 309.287 3.339 20 30 DGEDHM CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000845851639 631199304 /nfs/dbraw/zinc/19/93/04/631199304.db2.gz YVBLOGMBLIWTSH-HNNXBMFYSA-N -1 3 304.390 3.186 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1cc(Cl)ccc1Br ZINC000846536395 631256259 /nfs/dbraw/zinc/25/62/59/631256259.db2.gz JHBDTHIWPJXUMH-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000846542799 631257947 /nfs/dbraw/zinc/25/79/47/631257947.db2.gz CHIQYBQPKYDEOV-LLVKDONJSA-N -1 3 304.321 3.036 20 30 DGEDHM O=C([O-])c1cc(N=NC2CCCN3CCCC[C@H]23)ccc1Cl ZINC000848399019 631653657 /nfs/dbraw/zinc/65/36/57/631653657.db2.gz HZFVTUCFFCEROR-OAHLLOKOSA-N -1 3 321.808 3.454 20 30 DGEDHM O=[N+]([O-])c1cc(NN=Cc2c(F)ccc([O-])c2F)ccc1F ZINC000794534927 661089619 /nfs/dbraw/zinc/08/96/19/661089619.db2.gz PBAAKMKOJXVIKH-UHFFFAOYSA-N -1 3 311.219 3.164 20 30 DGEDHM CON=Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000255909617 655965892 /nfs/dbraw/zinc/96/58/92/655965892.db2.gz UHNJUEYTAVFJPF-UHFFFAOYSA-N -1 3 304.733 3.278 20 30 DGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000811188385 661231223 /nfs/dbraw/zinc/23/12/23/661231223.db2.gz ICVORRYZZMROBD-JTQLQIEISA-N -1 3 312.281 3.090 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc3ccccc3n2)c1 ZINC000811188583 661231316 /nfs/dbraw/zinc/23/13/16/661231316.db2.gz PNXWZZJKJIGRMI-UHFFFAOYSA-N -1 3 304.305 3.169 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)COc1ccc(F)cc1 ZINC000066887787 656307426 /nfs/dbraw/zinc/30/74/26/656307426.db2.gz DZBDXSRSBWAISS-VLUPQXHSSA-N -1 3 323.751 3.044 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(OC)c2)ccc1[O-] ZINC000008322720 656576536 /nfs/dbraw/zinc/57/65/36/656576536.db2.gz CVUMHLNTXXHEJJ-QPJJXVBHSA-N -1 3 314.337 3.314 20 30 DGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1ccsc1 ZINC000193396068 662132876 /nfs/dbraw/zinc/13/28/76/662132876.db2.gz SAJXQRAOWNVRBU-GFCCVEGCSA-N -1 3 304.758 3.363 20 30 DGEDHM Cc1ccoc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000193400406 662133154 /nfs/dbraw/zinc/13/31/54/662133154.db2.gz CILHWDXLGDJOBE-GFCCVEGCSA-N -1 3 302.717 3.203 20 30 DGEDHM CCCCCCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001577505657 1191906081 /nfs/dbraw/zinc/90/60/81/1191906081.db2.gz MQKZDJYGCBRTBA-UHFFFAOYSA-N -1 3 316.409 3.267 20 30 DGEDHM CCCCCCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001577505657 1191906082 /nfs/dbraw/zinc/90/60/82/1191906082.db2.gz MQKZDJYGCBRTBA-UHFFFAOYSA-N -1 3 316.409 3.267 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1cc(Cl)cc(Cl)c1 ZINC001583407636 1192145417 /nfs/dbraw/zinc/14/54/17/1192145417.db2.gz DKMFWDCNNLZJOL-SECBINFHSA-N -1 3 304.173 3.385 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001586151934 1192312270 /nfs/dbraw/zinc/31/22/70/1192312270.db2.gz FCHQUXKOCAVOLV-QGZVFWFLSA-N -1 3 315.373 3.280 20 30 DGEDHM C=C[C@H](C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588467720 1192447915 /nfs/dbraw/zinc/44/79/15/1192447915.db2.gz NFQOFIVMOHCIBD-INIZCTEOSA-N -1 3 319.368 3.083 20 30 DGEDHM C#C[C@@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)c1ccc(Cl)cc1 ZINC001588328477 1192444916 /nfs/dbraw/zinc/44/49/16/1192444916.db2.gz HZYHNJQUHSEHJJ-CQSZACIVSA-N -1 3 324.775 3.010 20 30 DGEDHM C#C[C@@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)c1ccc(Cl)cc1 ZINC001588328477 1192444918 /nfs/dbraw/zinc/44/49/18/1192444918.db2.gz HZYHNJQUHSEHJJ-CQSZACIVSA-N -1 3 324.775 3.010 20 30 DGEDHM C#CCC1(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588334821 1192445162 /nfs/dbraw/zinc/44/51/62/1192445162.db2.gz MMCSFSQAIPAXDL-UHFFFAOYSA-N -1 3 323.400 3.087 20 30 DGEDHM C#CCC1(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588334821 1192445168 /nfs/dbraw/zinc/44/51/68/1192445168.db2.gz MMCSFSQAIPAXDL-UHFFFAOYSA-N -1 3 323.400 3.087 20 30 DGEDHM C=C[C@H](C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588467720 1192447917 /nfs/dbraw/zinc/44/79/17/1192447917.db2.gz NFQOFIVMOHCIBD-INIZCTEOSA-N -1 3 319.368 3.083 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588405274 1192446134 /nfs/dbraw/zinc/44/61/34/1192446134.db2.gz NHRPGZHHJJGHRC-NWDGAFQWSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588405274 1192446146 /nfs/dbraw/zinc/44/61/46/1192446146.db2.gz NHRPGZHHJJGHRC-NWDGAFQWSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588406338 1192446346 /nfs/dbraw/zinc/44/63/46/1192446346.db2.gz TXWGVNORHLUKET-RYUDHWBXSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588406338 1192446350 /nfs/dbraw/zinc/44/63/50/1192446350.db2.gz TXWGVNORHLUKET-RYUDHWBXSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588402467 1192446945 /nfs/dbraw/zinc/44/69/45/1192446945.db2.gz GVZYWPMWISEONZ-NSHDSACASA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)C(C)(C)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588402467 1192446951 /nfs/dbraw/zinc/44/69/51/1192446951.db2.gz GVZYWPMWISEONZ-NSHDSACASA-N -1 3 300.362 3.073 20 30 DGEDHM C=C(C)CCNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588424918 1192448051 /nfs/dbraw/zinc/44/80/51/1192448051.db2.gz QUBSIVOTXDQHEK-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=C(C)CCNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588424918 1192448053 /nfs/dbraw/zinc/44/80/53/1192448053.db2.gz QUBSIVOTXDQHEK-UHFFFAOYSA-N -1 3 308.183 3.007 20 30 DGEDHM C=C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC001588525777 1192448733 /nfs/dbraw/zinc/44/87/33/1192448733.db2.gz KOQAKVBJAJIMLD-MRXNPFEDSA-N -1 3 320.352 3.259 20 30 DGEDHM C=C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC001588525777 1192448735 /nfs/dbraw/zinc/44/87/35/1192448735.db2.gz KOQAKVBJAJIMLD-MRXNPFEDSA-N -1 3 320.352 3.259 20 30 DGEDHM C=CC(C)(C)CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588486866 1192449236 /nfs/dbraw/zinc/44/92/36/1192449236.db2.gz LEFQBVBYYSKBJB-NSHDSACASA-N -1 3 300.362 3.073 20 30 DGEDHM C=CC(C)(C)CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588486866 1192449238 /nfs/dbraw/zinc/44/92/38/1192449238.db2.gz LEFQBVBYYSKBJB-NSHDSACASA-N -1 3 300.362 3.073 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588777175 1192453770 /nfs/dbraw/zinc/45/37/70/1192453770.db2.gz IBKGRANWXRCFQV-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(=NNc1cc(C)cc(C)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588777175 1192453773 /nfs/dbraw/zinc/45/37/73/1192453773.db2.gz IBKGRANWXRCFQV-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC1(C)CCCC(=Cc2cnc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC001590093473 1192487004 /nfs/dbraw/zinc/48/70/04/1192487004.db2.gz RMVAJFKPCMMAAU-POHAHGRESA-N -1 3 317.780 3.078 20 30 DGEDHM CC1(C)CCCC(=Cc2cnc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC001590093473 1192487007 /nfs/dbraw/zinc/48/70/07/1192487007.db2.gz RMVAJFKPCMMAAU-POHAHGRESA-N -1 3 317.780 3.078 20 30 DGEDHM CCC(CC)NN=C(C)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001590435707 1192509073 /nfs/dbraw/zinc/50/90/73/1192509073.db2.gz BWMRTDITCUYJHU-UHFFFAOYSA-N -1 3 306.801 3.022 20 30 DGEDHM CCC(CC)NN=C(C)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001590435707 1192509076 /nfs/dbraw/zinc/50/90/76/1192509076.db2.gz BWMRTDITCUYJHU-UHFFFAOYSA-N -1 3 306.801 3.022 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001590834693 1192537172 /nfs/dbraw/zinc/53/71/72/1192537172.db2.gz QBYKXAWSWOENLM-LFYBBSHMSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001590834693 1192537176 /nfs/dbraw/zinc/53/71/76/1192537176.db2.gz QBYKXAWSWOENLM-LFYBBSHMSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001590837703 1192543590 /nfs/dbraw/zinc/54/35/90/1192543590.db2.gz SQGSCUAJBKCBHW-XGICHPGQSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001590837703 1192543604 /nfs/dbraw/zinc/54/36/04/1192543604.db2.gz SQGSCUAJBKCBHW-XGICHPGQSA-N -1 3 320.352 3.162 20 30 DGEDHM CCc1cccc(F)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590894692 1192554783 /nfs/dbraw/zinc/55/47/83/1192554783.db2.gz NEVPDDFYJWIXOB-ZHACJKMWSA-N -1 3 322.343 3.464 20 30 DGEDHM CCc1cccc(F)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590894692 1192554786 /nfs/dbraw/zinc/55/47/86/1192554786.db2.gz NEVPDDFYJWIXOB-ZHACJKMWSA-N -1 3 322.343 3.464 20 30 DGEDHM COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1-c1nnn[n-]1 ZINC001591522446 1192565729 /nfs/dbraw/zinc/56/57/29/1192565729.db2.gz IJHZBZWKSBJRQW-POHAHGRESA-N -1 3 320.352 3.080 20 30 DGEDHM COc1cc(C=CC(=O)c2ccc(C)cc2)ccc1-c1nn[n-]n1 ZINC001591522446 1192565732 /nfs/dbraw/zinc/56/57/32/1192565732.db2.gz IJHZBZWKSBJRQW-POHAHGRESA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1C ZINC001592115350 1192594549 /nfs/dbraw/zinc/59/45/49/1192594549.db2.gz CQXFDWZXYRXFAC-CLFYSBASSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1C ZINC001592115350 1192594552 /nfs/dbraw/zinc/59/45/52/1192594552.db2.gz CQXFDWZXYRXFAC-CLFYSBASSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C#N)c1SCc1cccc(-c2nnn[n-]2)c1 ZINC001592217650 1192603361 /nfs/dbraw/zinc/60/33/61/1192603361.db2.gz FOGZJCHWQOVVAM-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(C#N)c1SCc1cccc(-c2nn[n-]n2)c1 ZINC001592217650 1192603364 /nfs/dbraw/zinc/60/33/64/1192603364.db2.gz FOGZJCHWQOVVAM-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1C ZINC001592254241 1192604478 /nfs/dbraw/zinc/60/44/78/1192604478.db2.gz ISPAOQPFDKKQRP-UHFFFAOYSA-N -1 3 307.357 3.034 20 30 DGEDHM Cc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)cc1C ZINC001592254241 1192604481 /nfs/dbraw/zinc/60/44/81/1192604481.db2.gz ISPAOQPFDKKQRP-UHFFFAOYSA-N -1 3 307.357 3.034 20 30 DGEDHM N#CC1(CCCCOc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC001592668186 1192626719 /nfs/dbraw/zinc/62/67/19/1192626719.db2.gz GLLBLRXOYYSURA-UHFFFAOYSA-N -1 3 315.352 3.249 20 30 DGEDHM N#CC1(CCCCOc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC001592668186 1192626723 /nfs/dbraw/zinc/62/67/23/1192626723.db2.gz GLLBLRXOYYSURA-UHFFFAOYSA-N -1 3 315.352 3.249 20 30 DGEDHM O=C(C=Cc1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001592791555 1192627452 /nfs/dbraw/zinc/62/74/52/1192627452.db2.gz NLCFNSRPCFVHKJ-QPJJXVBHSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001592791555 1192627456 /nfs/dbraw/zinc/62/74/56/1192627456.db2.gz NLCFNSRPCFVHKJ-QPJJXVBHSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc2c(c1)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC001592791391 1192627560 /nfs/dbraw/zinc/62/75/60/1192627560.db2.gz FASREANGEBDQDN-NTMALXAHSA-N -1 3 316.364 3.252 20 30 DGEDHM O=C(C=Cc1ccc2c(c1)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC001592791391 1192627563 /nfs/dbraw/zinc/62/75/63/1192627563.db2.gz FASREANGEBDQDN-NTMALXAHSA-N -1 3 316.364 3.252 20 30 DGEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)CSc2ccccc21 ZINC001593379105 1192631151 /nfs/dbraw/zinc/63/11/51/1192631151.db2.gz ASFMIZZNSOHSPO-UKTHLTGXSA-N -1 3 320.377 3.239 20 30 DGEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)CSc2ccccc21 ZINC001593379105 1192631154 /nfs/dbraw/zinc/63/11/54/1192631154.db2.gz ASFMIZZNSOHSPO-UKTHLTGXSA-N -1 3 320.377 3.239 20 30 DGEDHM Cc1cc(CN[C@@H](C)c2ccc(OCC(=O)[O-])cc2)ccc1C#N ZINC001600203285 1192805758 /nfs/dbraw/zinc/80/57/58/1192805758.db2.gz HFQUEBCQPULTAH-AWEZNQCLSA-N -1 3 324.380 3.181 20 30 DGEDHM Cc1cc2cc(CN[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2[nH]1 ZINC001600308627 1192829671 /nfs/dbraw/zinc/82/96/71/1192829671.db2.gz JZYKOEDHNROVRW-SFHVURJKSA-N -1 3 319.364 3.264 20 30 DGEDHM N#CC1(C(=O)[O-])CCN(CCSc2ccc(Cl)cc2)CC1 ZINC001601052157 1192914423 /nfs/dbraw/zinc/91/44/23/1192914423.db2.gz LHKJLQPSINSXFV-UHFFFAOYSA-N -1 3 324.833 3.122 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@@H]2CCc3c2cccc3F)C(=O)[O-])c1 ZINC001601118890 1192920118 /nfs/dbraw/zinc/92/01/18/1192920118.db2.gz QDTFXUFWHPYYLH-IAGOWNOFSA-N -1 3 310.328 3.100 20 30 DGEDHM N#CC(=C([O-])c1cccs1)c1nccn1Cc1ccccc1 ZINC001342522828 1179149102 /nfs/dbraw/zinc/14/91/02/1179149102.db2.gz YYXBNRQQJBOJHS-AWEZNQCLSA-N -1 3 307.378 3.483 20 30 DGEDHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2cccc(F)n2)ccn1 ZINC001344025099 1179365916 /nfs/dbraw/zinc/36/59/16/1179365916.db2.gz YHAQEIRQUOJPBE-WCQYABFASA-N -1 3 313.332 3.283 20 30 DGEDHM C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602795943 1192998051 /nfs/dbraw/zinc/99/80/51/1192998051.db2.gz XFMVJJYZLSDELE-MEDUHNTESA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602795943 1192998053 /nfs/dbraw/zinc/99/80/53/1192998053.db2.gz XFMVJJYZLSDELE-MEDUHNTESA-N -1 3 300.362 3.073 20 30 DGEDHM C=CCN(CCc1ccco1)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001602893922 1193002255 /nfs/dbraw/zinc/00/22/55/1193002255.db2.gz OYRGPSROZJHWPC-UHFFFAOYSA-N -1 3 314.385 3.414 20 30 DGEDHM C=CCOc1ccc(CNCc2ccc(CC(=O)[O-])cc2)cc1 ZINC001602922000 1193002840 /nfs/dbraw/zinc/00/28/40/1193002840.db2.gz ZDDCWCYIAFSFOH-UHFFFAOYSA-N -1 3 311.381 3.168 20 30 DGEDHM CC(C)(CCC#N)CNc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001603139620 1193008537 /nfs/dbraw/zinc/00/85/37/1193008537.db2.gz UKPZFUROQZKQMH-UHFFFAOYSA-N -1 3 310.405 3.486 20 30 DGEDHM CC(C)(CCC#N)CNc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001603139620 1193008538 /nfs/dbraw/zinc/00/85/38/1193008538.db2.gz UKPZFUROQZKQMH-UHFFFAOYSA-N -1 3 310.405 3.486 20 30 DGEDHM CC(C)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001603150889 1193009459 /nfs/dbraw/zinc/00/94/59/1193009459.db2.gz WSVPLPGUOPNBSS-UHFFFAOYSA-N -1 3 318.384 3.128 20 30 DGEDHM CC(C)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001603150889 1193009462 /nfs/dbraw/zinc/00/94/62/1193009462.db2.gz WSVPLPGUOPNBSS-UHFFFAOYSA-N -1 3 318.384 3.128 20 30 DGEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1cc([O-])cc(F)c1 ZINC001352726707 1180385645 /nfs/dbraw/zinc/38/56/45/1180385645.db2.gz RCHDRGXZSGWTKI-UHFFFAOYSA-N -1 3 302.353 3.455 20 30 DGEDHM CC(C)(NCc1ccccc1CC(=O)[O-])c1cccc(C#N)c1 ZINC001603681941 1193025765 /nfs/dbraw/zinc/02/57/65/1193025765.db2.gz JOLMZSHDOOSRPU-UHFFFAOYSA-N -1 3 308.381 3.210 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC001603826776 1193033427 /nfs/dbraw/zinc/03/34/27/1193033427.db2.gz MMFAEPBBWLQZFT-ITTMYVLYSA-N -1 3 308.366 3.312 20 30 DGEDHM C[C@@H]1CC[C@H](C)CC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001603873747 1193036651 /nfs/dbraw/zinc/03/66/51/1193036651.db2.gz AKGXRQIJCRGQAR-DTWKUNHWSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CC[C@H](C)CC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001603873747 1193036654 /nfs/dbraw/zinc/03/66/54/1193036654.db2.gz AKGXRQIJCRGQAR-DTWKUNHWSA-N -1 3 319.800 3.139 20 30 DGEDHM N#Cc1cccc(C[N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)c1 ZINC001354185938 1180739648 /nfs/dbraw/zinc/73/96/48/1180739648.db2.gz ZAIRZCVQRCZBGK-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM CCCCCCCC(=O)Oc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001604176853 1193058750 /nfs/dbraw/zinc/05/87/50/1193058750.db2.gz ZGZVUKPHSRTAOO-UHFFFAOYSA-N -1 3 302.378 3.441 20 30 DGEDHM CCCCCCCC(=O)Oc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001604176853 1193058755 /nfs/dbraw/zinc/05/87/55/1193058755.db2.gz ZGZVUKPHSRTAOO-UHFFFAOYSA-N -1 3 302.378 3.441 20 30 DGEDHM CCCCCCCC(=O)OCc1ccccc1-c1nnn[n-]1 ZINC001604176245 1193059071 /nfs/dbraw/zinc/05/90/71/1193059071.db2.gz ROPQFFNJEOKJGK-UHFFFAOYSA-N -1 3 302.378 3.270 20 30 DGEDHM CCCCCCCC(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001604176245 1193059074 /nfs/dbraw/zinc/05/90/74/1193059074.db2.gz ROPQFFNJEOKJGK-UHFFFAOYSA-N -1 3 302.378 3.270 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2coc(-c3cccnc3)n2)s1 ZINC001355185968 1181006669 /nfs/dbraw/zinc/00/66/69/1181006669.db2.gz XOSWGKNCRMGIQK-UHFFFAOYSA-N -1 3 324.365 3.484 20 30 DGEDHM N#CCn1c(C([O-])=C(C#N)c2cccc(F)n2)cc2ccccc21 ZINC001357599485 1181412736 /nfs/dbraw/zinc/41/27/36/1181412736.db2.gz VYCCNOPBAFKISV-CYBMUJFWSA-N -1 3 318.311 3.189 20 30 DGEDHM C#Cc1cccc(N(CC)C(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC001359978810 1181613499 /nfs/dbraw/zinc/61/34/99/1181613499.db2.gz KPXWCBHIZBWELG-UHFFFAOYSA-N -1 3 316.360 3.176 20 30 DGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccc1 ZINC001437075135 1181919795 /nfs/dbraw/zinc/91/97/95/1181919795.db2.gz XXAPUHQURIEEAJ-HNNXBMFYSA-N -1 3 303.283 3.408 20 30 DGEDHM N#CCCc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC001455942654 1182390158 /nfs/dbraw/zinc/39/01/58/1182390158.db2.gz QYFRFHYHKMFWMS-UHFFFAOYSA-N -1 3 308.263 3.137 20 30 DGEDHM N#CCCc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC001455942654 1182390161 /nfs/dbraw/zinc/39/01/61/1182390161.db2.gz QYFRFHYHKMFWMS-UHFFFAOYSA-N -1 3 308.263 3.137 20 30 DGEDHM C[C@]1(C#N)CCCN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001546084900 1182430217 /nfs/dbraw/zinc/43/02/17/1182430217.db2.gz ZVNJVLSLEHRAHL-MRXNPFEDSA-N -1 3 300.383 3.373 20 30 DGEDHM O=C(c1ncoc1C1CC1)N([O-])CCCCc1ccccc1 ZINC001458009833 1182489692 /nfs/dbraw/zinc/48/96/92/1182489692.db2.gz RTOSHCZNOMTTMQ-UHFFFAOYSA-N -1 3 300.358 3.406 20 30 DGEDHM CCc1ccc2c(c1)CCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001605824680 1193176452 /nfs/dbraw/zinc/17/64/52/1193176452.db2.gz LWGWRELCTKIELS-LJQANCHMSA-N -1 3 320.392 3.305 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1C ZINC001605834441 1193178959 /nfs/dbraw/zinc/17/89/59/1193178959.db2.gz WDWQPBIMBHILTI-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1C ZINC001605834441 1193178961 /nfs/dbraw/zinc/17/89/61/1193178961.db2.gz WDWQPBIMBHILTI-KTKRTIGZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nnn[n-]3)c(C)c1)C2=O ZINC001605887176 1193182605 /nfs/dbraw/zinc/18/26/05/1193182605.db2.gz BKPZZWZKOUODGU-DHDCSXOGSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(-c3nn[n-]n3)c(C)c1)C2=O ZINC001605887176 1193182608 /nfs/dbraw/zinc/18/26/08/1193182608.db2.gz BKPZZWZKOUODGU-DHDCSXOGSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc2c(C=NNc3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC001605887642 1193182642 /nfs/dbraw/zinc/18/26/42/1193182642.db2.gz LWTRBBVJIHIAGP-UHFFFAOYSA-N -1 3 317.356 3.102 20 30 DGEDHM N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc([O-])c(F)c1F ZINC001462201224 1182921968 /nfs/dbraw/zinc/92/19/68/1182921968.db2.gz OLKCXOPKQLNLCV-CQSZACIVSA-N -1 3 300.308 3.319 20 30 DGEDHM Cc1scc(CNc2c(C#N)cccc2-c2nnn[n-]2)c1C ZINC001606183410 1193193318 /nfs/dbraw/zinc/19/33/18/1193193318.db2.gz URUZYDGNKQRSCQ-UHFFFAOYSA-N -1 3 310.386 3.029 20 30 DGEDHM Cc1scc(CNc2c(C#N)cccc2-c2nn[n-]n2)c1C ZINC001606183410 1193193319 /nfs/dbraw/zinc/19/33/19/1193193319.db2.gz URUZYDGNKQRSCQ-UHFFFAOYSA-N -1 3 310.386 3.029 20 30 DGEDHM N#CC1(CCOc2cc(F)cc(-c3nnn[n-]3)c2)CCCCC1 ZINC001606342890 1193199322 /nfs/dbraw/zinc/19/93/22/1193199322.db2.gz GNYKXLYNGZOLFB-UHFFFAOYSA-N -1 3 315.352 3.249 20 30 DGEDHM N#CC1(CCOc2cc(F)cc(-c3nn[n-]n3)c2)CCCCC1 ZINC001606342890 1193199324 /nfs/dbraw/zinc/19/93/24/1193199324.db2.gz GNYKXLYNGZOLFB-UHFFFAOYSA-N -1 3 315.352 3.249 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](C2CCCCC2)C1 ZINC001606381747 1193200325 /nfs/dbraw/zinc/20/03/25/1193200325.db2.gz TXYBXCDWWRLECZ-OAHLLOKOSA-N -1 3 322.416 3.145 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](C2CCCCC2)C1 ZINC001606381747 1193200327 /nfs/dbraw/zinc/20/03/27/1193200327.db2.gz TXYBXCDWWRLECZ-OAHLLOKOSA-N -1 3 322.416 3.145 20 30 DGEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001606485756 1193200574 /nfs/dbraw/zinc/20/05/74/1193200574.db2.gz NKOUFGMNVMDIHQ-MDZDMXLPSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001606485756 1193200580 /nfs/dbraw/zinc/20/05/80/1193200580.db2.gz NKOUFGMNVMDIHQ-MDZDMXLPSA-N -1 3 310.744 3.416 20 30 DGEDHM COc1cccc([C@@H](N[C@@H](C)c2cccc(C#N)c2)C(=O)[O-])c1 ZINC001607312792 1193223381 /nfs/dbraw/zinc/22/33/81/1193223381.db2.gz JGRXFJTXLHHYPM-YVEFUNNKSA-N -1 3 310.353 3.043 20 30 DGEDHM Cc1nnsc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472616666 1183657000 /nfs/dbraw/zinc/65/70/00/1183657000.db2.gz XLOMAECHBVQAIF-UHFFFAOYSA-N -1 3 318.185 3.185 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 ZINC001472620857 1183657067 /nfs/dbraw/zinc/65/70/67/1183657067.db2.gz VWTULBVQFKUMFS-HNNXBMFYSA-N -1 3 318.417 3.064 20 30 DGEDHM Cc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1Cl ZINC001607646931 1193244289 /nfs/dbraw/zinc/24/42/89/1193244289.db2.gz WZVZXGHUCMKIEA-INIZCTEOSA-N -1 3 314.772 3.436 20 30 DGEDHM Cc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1Cl ZINC001607646932 1193244437 /nfs/dbraw/zinc/24/44/37/1193244437.db2.gz WZVZXGHUCMKIEA-MRXNPFEDSA-N -1 3 314.772 3.436 20 30 DGEDHM N#Cc1ccc(CN(C2CC2)C2(C(=O)[O-])CCC2)c(Cl)c1 ZINC001608205139 1193283045 /nfs/dbraw/zinc/28/30/45/1193283045.db2.gz WOYBDUSSEHISLU-UHFFFAOYSA-N -1 3 304.777 3.183 20 30 DGEDHM CC(C)(CC#N)CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001609083019 1193323698 /nfs/dbraw/zinc/32/36/98/1193323698.db2.gz RGGAPVMAWBVCRD-UHFFFAOYSA-N -1 3 324.310 3.237 20 30 DGEDHM C#Cc1cccc(CNCc2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC001609183507 1193328885 /nfs/dbraw/zinc/32/88/85/1193328885.db2.gz CQPWUXRBLUBFAB-UHFFFAOYSA-N -1 3 323.392 3.038 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001609245125 1193332580 /nfs/dbraw/zinc/33/25/80/1193332580.db2.gz ZZASODSUSVCFSX-FLIBITNWSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001609245125 1193332583 /nfs/dbraw/zinc/33/25/83/1193332583.db2.gz ZZASODSUSVCFSX-FLIBITNWSA-N -1 3 320.352 3.162 20 30 DGEDHM Cc1cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC001609393228 1193335168 /nfs/dbraw/zinc/33/51/68/1193335168.db2.gz HODWWOHTBDOQLC-SREVYHEPSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC001609393228 1193335172 /nfs/dbraw/zinc/33/51/72/1193335172.db2.gz HODWWOHTBDOQLC-SREVYHEPSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609403382 1193336445 /nfs/dbraw/zinc/33/64/45/1193336445.db2.gz DAHAGDITAARVIX-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609403382 1193336446 /nfs/dbraw/zinc/33/64/46/1193336446.db2.gz DAHAGDITAARVIX-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=C2Cc3ccc(F)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001609399669 1193336863 /nfs/dbraw/zinc/33/68/63/1193336863.db2.gz KEIGCJAIZDZSRC-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cc(C=C2Cc3ccc(F)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001609399669 1193336866 /nfs/dbraw/zinc/33/68/66/1193336866.db2.gz KEIGCJAIZDZSRC-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccsc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001609439660 1193339428 /nfs/dbraw/zinc/33/94/28/1193339428.db2.gz WQHXTQIEBOBXDZ-WQLSENKSSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1ccsc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001609439660 1193339431 /nfs/dbraw/zinc/33/94/31/1193339431.db2.gz WQHXTQIEBOBXDZ-WQLSENKSSA-N -1 3 308.366 3.059 20 30 DGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCC23CCC3)n1 ZINC001609471895 1193340458 /nfs/dbraw/zinc/34/04/58/1193340458.db2.gz BMVCSZHFGYLKCB-UHFFFAOYSA-N -1 3 317.784 3.037 20 30 DGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCC23CCC3)n1 ZINC001609471895 1193340461 /nfs/dbraw/zinc/34/04/61/1193340461.db2.gz BMVCSZHFGYLKCB-UHFFFAOYSA-N -1 3 317.784 3.037 20 30 DGEDHM Cc1ncc(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)o1 ZINC001611642145 1193438405 /nfs/dbraw/zinc/43/84/05/1193438405.db2.gz FHQIVMDLDOENSP-UHFFFAOYSA-N -1 3 315.156 3.250 20 30 DGEDHM O=C(COc1ccc(O)cc1)N([O-])CCCCc1ccccc1 ZINC001611653052 1193439210 /nfs/dbraw/zinc/43/92/10/1193439210.db2.gz BIRHGJYOQMGPTN-UHFFFAOYSA-N -1 3 315.369 3.012 20 30 DGEDHM CCCCCCN([O-])C(=O)c1cc(=O)c2ccc(F)cc2o1 ZINC001611655532 1193439265 /nfs/dbraw/zinc/43/92/65/1193439265.db2.gz HKWJXOMNQGCMCS-UHFFFAOYSA-N -1 3 307.321 3.344 20 30 DGEDHM O=C(Cc1ccc2c[nH]nc2c1)N([O-])CCCCc1ccccc1 ZINC001611653327 1193439454 /nfs/dbraw/zinc/43/94/54/1193439454.db2.gz NDOQFAZNVNVRQI-UHFFFAOYSA-N -1 3 323.396 3.346 20 30 DGEDHM O=C(Cn1ncc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001611653593 1193439501 /nfs/dbraw/zinc/43/95/01/1193439501.db2.gz YPHPFGZZBPBEFY-UHFFFAOYSA-N -1 3 323.396 3.277 20 30 DGEDHM COc1cc(F)c(C(=O)N([O-])Cc2ccc(F)cc2)c(F)c1 ZINC001611667160 1193439732 /nfs/dbraw/zinc/43/97/32/1193439732.db2.gz QWLMGQIHESGPAC-UHFFFAOYSA-N -1 3 311.259 3.144 20 30 DGEDHM Cc1cccc2nc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cn21 ZINC001518384939 1186839941 /nfs/dbraw/zinc/83/99/41/1186839941.db2.gz BPASMYAJBWPMFX-LBPRGKRZSA-N -1 3 322.393 3.467 20 30 DGEDHM C=CCC[C@H]1CCCN1C(=O)c1cc(NC(=O)C=C)ccc1[O-] ZINC001520808454 1186970924 /nfs/dbraw/zinc/97/09/24/1186970924.db2.gz SIXICRFTKYIGCE-AWEZNQCLSA-N -1 3 314.385 3.088 20 30 DGEDHM N#Cc1sc([N-]C(=O)c2nc(Cl)cs2)nc1Cl ZINC001521211745 1187004932 /nfs/dbraw/zinc/00/49/32/1187004932.db2.gz WCJXKHTXEBFWPD-UHFFFAOYSA-N -1 3 305.171 3.030 20 30 DGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc3c(o2)CCCC3)c1 ZINC001524030031 1187210159 /nfs/dbraw/zinc/21/01/59/1187210159.db2.gz WDINPSAPJZNNOX-HNNXBMFYSA-N -1 3 322.364 3.428 20 30 DGEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1cccc(F)n1 ZINC001524728197 1187264202 /nfs/dbraw/zinc/26/42/02/1187264202.db2.gz XILYVVPKQJLIGG-GFCCVEGCSA-N -1 3 324.290 3.240 20 30 DGEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1cccc(F)n1 ZINC001524728198 1187264389 /nfs/dbraw/zinc/26/43/89/1187264389.db2.gz XILYVVPKQJLIGG-LBPRGKRZSA-N -1 3 324.290 3.240 20 30 DGEDHM N#Cc1sccc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC001524737378 1187265311 /nfs/dbraw/zinc/26/53/11/1187265311.db2.gz BIERFXPNYKFAEZ-UHFFFAOYSA-N -1 3 312.379 3.391 20 30 DGEDHM C#CC(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000013948749 1193485819 /nfs/dbraw/zinc/48/58/19/1193485819.db2.gz HWDXBNYSEZYFEI-UHFFFAOYSA-N -1 3 320.241 3.464 20 30 DGEDHM C=CCCn1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)nn1 ZINC001537279737 1188063493 /nfs/dbraw/zinc/06/34/93/1188063493.db2.gz NKGLJEPBCKHPEE-UHFFFAOYSA-N -1 3 312.707 3.038 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1ccc(Br)cc1Cl ZINC001557717427 1189080298 /nfs/dbraw/zinc/08/02/98/1189080298.db2.gz NGXITERRXKCISQ-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)CCc2ccc3[nH]ccc3c2)c1 ZINC001557921328 1189092643 /nfs/dbraw/zinc/09/26/43/1189092643.db2.gz WAJWZNGUTJXSRS-UHFFFAOYSA-N -1 3 305.337 3.082 20 30 DGEDHM O=C(C1=CCCCO1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001559030692 1189163564 /nfs/dbraw/zinc/16/35/64/1189163564.db2.gz CYJLLGMDIUMYEC-UHFFFAOYSA-N -1 3 302.157 3.406 20 30 DGEDHM CC(=O)OCC(C)(C)CC(=O)N([O-])CCCCc1ccccc1 ZINC001559034066 1189163922 /nfs/dbraw/zinc/16/39/22/1189163922.db2.gz LLEPGGQKIBKOSY-UHFFFAOYSA-N -1 3 321.417 3.207 20 30 DGEDHM CCCCN([O-])C(=O)C1(c2cccc(Br)c2)CC1 ZINC001559035540 1189164890 /nfs/dbraw/zinc/16/48/90/1189164890.db2.gz VMKVOQRXYQHTIX-UHFFFAOYSA-N -1 3 312.207 3.499 20 30 DGEDHM CCCCN([O-])C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001559035411 1189164897 /nfs/dbraw/zinc/16/48/97/1189164897.db2.gz PQCXAFIEYLRFIB-UHFFFAOYSA-N -1 3 306.240 3.245 20 30 DGEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1n[nH]cc1F ZINC001565689348 1189663740 /nfs/dbraw/zinc/66/37/40/1189663740.db2.gz ZIWGZYRBKZGPBA-SECBINFHSA-N -1 3 304.350 3.053 20 30 DGEDHM C#CCOc1ccc(F)cc1NC(=O)c1ccc(CC)cc1[O-] ZINC001566161240 1189749575 /nfs/dbraw/zinc/74/95/75/1189749575.db2.gz XFGMVNVGBGGYGN-UHFFFAOYSA-N -1 3 313.328 3.358 20 30 DGEDHM COc1cccc(C(=O)N(CCC#N)c2ccc(C)cc2)c1[O-] ZINC001626248809 1194068022 /nfs/dbraw/zinc/06/80/22/1194068022.db2.gz JBLPQMHNWGRPLM-UHFFFAOYSA-N -1 3 310.353 3.270 20 30 DGEDHM N#Cc1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1Cl ZINC001628215117 1194166459 /nfs/dbraw/zinc/16/64/59/1194166459.db2.gz ODDPNKGBNLAVMU-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC001628286996 1194170552 /nfs/dbraw/zinc/17/05/52/1194170552.db2.gz JMIKWGQBIOENLJ-VIFPVBQESA-N -1 3 323.190 3.095 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)c2cccc(C(F)(F)F)c2F)c1 ZINC001631983155 1194365264 /nfs/dbraw/zinc/36/52/64/1194365264.db2.gz NLYPKPUZLCASFG-UHFFFAOYSA-N -1 3 324.233 3.440 20 30 DGEDHM N#CCSc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001635360236 1194546620 /nfs/dbraw/zinc/54/66/20/1194546620.db2.gz FMSGCMRUIUEFEV-UHFFFAOYSA-N -1 3 316.357 3.077 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CC(=O)[N-]OCc1ccc(F)cc1 ZINC001638323536 1194712072 /nfs/dbraw/zinc/71/20/72/1194712072.db2.gz WCAKRGRKTLQDCT-UHFFFAOYSA-N -1 3 312.344 3.105 20 30 DGEDHM O=C(c1csc(Cl)n1)N([O-])Cc1ccccc1Cl ZINC001639058364 1194747725 /nfs/dbraw/zinc/74/77/25/1194747725.db2.gz GTSVQYHOKHTQHT-UHFFFAOYSA-N -1 3 303.170 3.482 20 30 DGEDHM C#C[C@@H](NC(=O)c1ccc(OCCCC)cc1[O-])C(C)(C)C ZINC001638777859 1194737421 /nfs/dbraw/zinc/73/74/21/1194737421.db2.gz UBDOLFFKFRZCOA-MRXNPFEDSA-N -1 3 303.402 3.349 20 30 DGEDHM Cc1cccc2c1[n-]cc(C(=O)Nc1cc(F)cc(C#N)c1)c2=O ZINC001638987589 1194746127 /nfs/dbraw/zinc/74/61/27/1194746127.db2.gz DXHPNKKBQJVLLZ-UHFFFAOYSA-N -1 3 321.311 3.100 20 30 DGEDHM CN(CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C1CCC1 ZINC001639040223 1194747653 /nfs/dbraw/zinc/74/76/53/1194747653.db2.gz FJIPMAJONSODPC-UHFFFAOYSA-N -1 3 317.216 3.196 20 30 DGEDHM CCCCN([O-])C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001639071434 1194749336 /nfs/dbraw/zinc/74/93/36/1194749336.db2.gz BKSNMKCOQGJYSW-UHFFFAOYSA-N -1 3 300.742 3.199 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1ccc(OC)c(OC)c1 ZINC001639062121 1194749374 /nfs/dbraw/zinc/74/93/74/1194749374.db2.gz BMGPESNTGKRGRI-UHFFFAOYSA-N -1 3 309.406 3.435 20 30 DGEDHM CCCCCCN([O-])C(=O)CCCOc1ccc2c(c1)OCO2 ZINC001639067378 1194749470 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C#C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC001651056583 1195408290 /nfs/dbraw/zinc/40/82/90/1195408290.db2.gz ABKGYDIYETVDCK-NSHDSACASA-N -1 3 321.695 3.274 20 30 DGEDHM C[C@@]1(Br)C[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001651226199 1195429307 /nfs/dbraw/zinc/42/93/07/1195429307.db2.gz OHDOFDWOENQIHR-JOYOIKCWSA-N -1 3 318.598 3.231 20 30 DGEDHM CCc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc(Cl)n1 ZINC001651237880 1195431121 /nfs/dbraw/zinc/43/11/21/1195431121.db2.gz DLWHRCWBPZOCBL-UHFFFAOYSA-N -1 3 308.740 3.468 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCC[C@@H]1CCc2ccccc21 ZINC001651873425 1195519235 /nfs/dbraw/zinc/51/92/35/1195519235.db2.gz JLXYGEVNKJBDEW-ZDUSSCGKSA-N -1 3 301.415 3.382 20 30 DGEDHM CC(=O)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccc1C ZINC001654829199 1195845300 /nfs/dbraw/zinc/84/53/00/1195845300.db2.gz XUOMPLUWWHXGCT-UHFFFAOYSA-N -1 3 301.317 3.368 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c(C)c1 ZINC000081298378 1197197212 /nfs/dbraw/zinc/19/72/12/1197197212.db2.gz 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COC(=O)c1cc(Cl)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001213337472 1084543052 /nfs/dbraw/zinc/54/30/52/1084543052.db2.gz JTKBZJPAFJQITO-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM Cc1cc([O-])ccc1C(=O)Nc1ccc(C#N)c2ncccc12 ZINC001186195255 1084607385 /nfs/dbraw/zinc/60/73/85/1084607385.db2.gz PXWPAKNMBUUURZ-UHFFFAOYSA-N -1 3 303.321 3.373 20 30 DGEDHM Cc1c(Nc2cccc(/C=N/[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC001167977104 1085927754 /nfs/dbraw/zinc/92/77/54/1085927754.db2.gz ADMZUVWLULPCHF-XDHOZWIPSA-N -1 3 322.368 3.036 20 30 DGEDHM N#Cc1ccc(NC(=O)c2cnc3[nH]ccc(Cl)c2-3)c([O-])c1 ZINC001153101794 1088167846 /nfs/dbraw/zinc/16/78/46/1088167846.db2.gz FTTYQGKEDXONAU-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM N#Cc1cc(NC(=O)c2ccnc3ccc(F)cc32)ccc1[O-] ZINC001153715736 1088336601 /nfs/dbraw/zinc/33/66/01/1088336601.db2.gz BNPFNRAZCQMMGA-UHFFFAOYSA-N -1 3 307.284 3.203 20 30 DGEDHM CCCCN([O-])C(=O)C1(c2ccc(Br)cc2)CC1 ZINC001161826556 1089426624 /nfs/dbraw/zinc/42/66/24/1089426624.db2.gz FPXKKQQTXKNLSP-UHFFFAOYSA-N -1 3 312.207 3.499 20 30 DGEDHM CC(=O)c1cccc([O-])c1NC(=O)c1cc2cc(C#N)ccc2[nH]1 ZINC001156462006 1089529471 /nfs/dbraw/zinc/52/94/71/1089529471.db2.gz GJOKBHPTQRYODH-UHFFFAOYSA-N -1 3 319.320 3.200 20 30 DGEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnn2cc(F)ccc12 ZINC001156932850 1089754007 /nfs/dbraw/zinc/75/40/07/1089754007.db2.gz XQTVECGFVQRMHE-UHFFFAOYSA-N -1 3 320.283 3.344 20 30 DGEDHM C=C(C)CCc1ccccc1NCC[N-]C(=O)C(F)(F)F ZINC001164245983 1090385520 /nfs/dbraw/zinc/38/55/20/1090385520.db2.gz IAMWCUNZTGRRLJ-UHFFFAOYSA-N -1 3 300.324 3.286 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1C[C@]1(C)c1cccc(Br)c1 ZINC001164414521 1090421382 /nfs/dbraw/zinc/42/13/82/1090421382.db2.gz QKNLAZWOWZXVTM-PSOPSSQASA-N -1 3 324.218 3.349 20 30 DGEDHM O=C(c1cccc([N+](=O)[O-])c1)N([O-])Cc1ccccc1Cl ZINC001649041624 1090561639 /nfs/dbraw/zinc/56/16/39/1090561639.db2.gz VTCJGKDEMZBWFG-UHFFFAOYSA-N -1 3 306.705 3.280 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ncccc1OCC(F)(F)F ZINC001649057193 1090581319 /nfs/dbraw/zinc/58/13/19/1090581319.db2.gz SISSBWGPLUKUCS-UHFFFAOYSA-N -1 3 320.311 3.434 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCC[C@@H](C)[C@@H]2C)n1 ZINC001166611176 1090629186 /nfs/dbraw/zinc/62/91/86/1090629186.db2.gz RPKNMPOFVKSGQB-YREBGNACSA-N -1 3 314.842 3.285 20 30 DGEDHM N#Cc1ccccc1OC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203665818 1090776214 /nfs/dbraw/zinc/77/62/14/1090776214.db2.gz WRBMWELTUDJDOR-UHFFFAOYSA-N -1 3 314.772 3.180 20 30 DGEDHM [O-]/N=C1/CCc2cc(-c3cnn(Cc4cccnc4)c3)ccc21 ZINC001206438606 1091631565 /nfs/dbraw/zinc/63/15/65/1091631565.db2.gz KCKRKABEIHECIF-UZYVYHOESA-N -1 3 304.353 3.118 20 30 DGEDHM CN1CCc2c(C#N)c(Nc3ccc(F)cc3[O-])sc2C1 ZINC001210014198 1093016130 /nfs/dbraw/zinc/01/61/30/1093016130.db2.gz HTFQBXZYWWPBRL-UHFFFAOYSA-N -1 3 303.362 3.196 20 30 DGEDHM CC(C)(C)c1nnc([N-]c2cc(C#N)cc([N+](=O)[O-])c2)s1 ZINC001211327892 1093460008 /nfs/dbraw/zinc/46/00/08/1093460008.db2.gz YPXONTMLPPCJIC-UHFFFAOYSA-N -1 3 303.347 3.359 20 30 DGEDHM Cc1cc(N2CCOCC2)ccc1Nc1cc(C#N)ccc1[O-] ZINC001213564540 1093613524 /nfs/dbraw/zinc/61/35/24/1093613524.db2.gz RYBFZMRBAGPDQN-UHFFFAOYSA-N -1 3 309.369 3.153 20 30 DGEDHM N#Cc1cc(Nc2c(F)cc(C3OCCO3)cc2F)ccc1[O-] ZINC001215440687 1093983379 /nfs/dbraw/zinc/98/33/79/1093983379.db2.gz NODHZXBQJWUQQL-UHFFFAOYSA-N -1 3 318.279 3.331 20 30 DGEDHM CCOC(=O)c1c(C)oc(Nc2cc(F)c([O-])cc2F)c1C#N ZINC001215572517 1094003779 /nfs/dbraw/zinc/00/37/79/1094003779.db2.gz ZESKHQDQWMEFCV-UHFFFAOYSA-N -1 3 322.267 3.364 20 30 DGEDHM CCc1cc(Nc2cc(F)c([O-])cc2C(=O)OC)ccc1C#N ZINC001216316852 1094173485 /nfs/dbraw/zinc/17/34/85/1094173485.db2.gz UQCRWZAPIUABCG-UHFFFAOYSA-N -1 3 314.316 3.496 20 30 DGEDHM CCc1ncoc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC001336461085 1094654902 /nfs/dbraw/zinc/65/49/02/1094654902.db2.gz GDNIEHNXZQRXKQ-UHFFFAOYSA-N -1 3 301.371 3.301 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1cc(Br)oc1C ZINC001123234628 1095197017 /nfs/dbraw/zinc/19/70/17/1095197017.db2.gz YUKDIBPWDMKNFE-JTQLQIEISA-N -1 3 322.162 3.057 20 30 DGEDHM N#Cc1sccc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC001125104227 1095661326 /nfs/dbraw/zinc/66/13/26/1095661326.db2.gz FPJGVFWGHFECFP-UHFFFAOYSA-N -1 3 312.379 3.391 20 30 DGEDHM C#C[C@@H](CC)O[C@@](F)(Cl)c1nc2c(cccc2C(=O)OC)[n-]1 ZINC001223403465 1095960400 /nfs/dbraw/zinc/96/04/00/1095960400.db2.gz MJJUJFOLVFJEKV-BJOHPYRUSA-N -1 3 324.739 3.097 20 30 DGEDHM C#C[C@@H](CC)O[C@@](F)(Cl)c1nc2cccc(C(=O)OC)c2[n-]1 ZINC001223403465 1095960408 /nfs/dbraw/zinc/96/04/08/1095960408.db2.gz MJJUJFOLVFJEKV-BJOHPYRUSA-N -1 3 324.739 3.097 20 30 DGEDHM N#Cc1cc(F)c([N-]C(=O)c2cnoc2C2CC2)c(Cl)c1 ZINC001147660780 1096253114 /nfs/dbraw/zinc/25/31/14/1096253114.db2.gz JYTJJHNINNAYSY-UHFFFAOYSA-N -1 3 305.696 3.468 20 30 DGEDHM CC(=O)c1cc(C(=O)Nc2ccc([C@H](C)C#N)cc2)ccc1[O-] ZINC001148662577 1096424236 /nfs/dbraw/zinc/42/42/36/1096424236.db2.gz PRYJCAZJBNGEEG-LLVKDONJSA-N -1 3 308.337 3.474 20 30 DGEDHM FC(F)(F)c1cc(O[C@H]2CC(F)(F)C2(F)F)nc(=S)[n-]1 ZINC001225851197 1096545899 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CCCCOc1ccc(C(=O)N(CC)C[C@H](C)C#N)c([O-])c1 ZINC000190142013 432126870 /nfs/dbraw/zinc/12/68/70/432126870.db2.gz LDKSPCRATTYBOE-CYBMUJFWSA-N -1 3 304.390 3.193 20 30 DGEDHM CCCc1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000127209633 284330895 /nfs/dbraw/zinc/33/08/95/284330895.db2.gz NFDDPQXZQTYROT-UHFFFAOYSA-N -1 3 307.325 3.498 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2scnc2COC)s1 ZINC000284481242 218045795 /nfs/dbraw/zinc/04/57/95/218045795.db2.gz ZAMLYOCZUZHIKZ-UHFFFAOYSA-N -1 3 307.400 3.037 20 30 DGEDHM C=CCO[N-]C(=O)C(C)(C)Cc1ccc(Br)cc1 ZINC001627707461 1194140955 /nfs/dbraw/zinc/14/09/55/1194140955.db2.gz NFKDJQSIAGRQKO-UHFFFAOYSA-N -1 3 312.207 3.252 20 30 DGEDHM CSc1ccccc1[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000281724833 533059170 /nfs/dbraw/zinc/05/91/70/533059170.db2.gz ITGNRGQXWAFQPP-LOMXTUQMSA-N -1 3 316.426 3.490 20 30 DGEDHM Cc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c([O-])c1 ZINC000338521084 253303208 /nfs/dbraw/zinc/30/32/08/253303208.db2.gz UHMORAMSOYLLTJ-UHFFFAOYSA-N -1 3 321.258 3.238 20 30 DGEDHM N#Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000344644257 254292294 /nfs/dbraw/zinc/29/22/94/254292294.db2.gz VZEGTWHPFLOASR-UHFFFAOYSA-N -1 3 312.344 3.042 20 30 DGEDHM Cc1ccccc1-c1nc(C(=O)[N-]c2ccncc2C#N)cs1 ZINC000344372233 254262947 /nfs/dbraw/zinc/26/29/47/254262947.db2.gz IPGPTBVPNXWQRP-UHFFFAOYSA-N -1 3 320.377 3.059 20 30 DGEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(Br)cc1[O-] ZINC000066315122 400079103 /nfs/dbraw/zinc/07/91/03/400079103.db2.gz ZPQNJHHVFXMMBU-SECBINFHSA-N -1 3 314.179 3.074 20 30 DGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000091990219 400147532 /nfs/dbraw/zinc/14/75/32/400147532.db2.gz JYIZRNOUTPDJHS-IAGOWNOFSA-N -1 3 306.365 3.304 20 30 DGEDHM N#C[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000601071824 400221066 /nfs/dbraw/zinc/22/10/66/400221066.db2.gz AMHWWPWQDOZMNM-LBPRGKRZSA-N -1 3 320.805 3.431 20 30 DGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCCCC1 ZINC000610084741 400212429 /nfs/dbraw/zinc/21/24/29/400212429.db2.gz QTAPODWTCDELTN-OAHLLOKOSA-N -1 3 324.421 3.335 20 30 DGEDHM CCCCO[C@H](C)C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000068541687 400270544 /nfs/dbraw/zinc/27/05/44/400270544.db2.gz IMONRDCIAOLWDR-LLVKDONJSA-N -1 3 318.377 3.274 20 30 DGEDHM N#CC(=C([O-])c1ccc2c(c1)CCCCC2=O)c1ccccn1 ZINC000578703462 400330696 /nfs/dbraw/zinc/33/06/96/400330696.db2.gz ODVZVZAGIDPSFD-MRXNPFEDSA-N -1 3 304.349 3.481 20 30 DGEDHM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3ccccn3)cc2NC1=O ZINC000041494131 400408212 /nfs/dbraw/zinc/40/82/12/400408212.db2.gz YPPBCEWJQRWJEH-CMPLNLGQSA-N -1 3 323.377 3.004 20 30 DGEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc4ccccc4o3)nc2c1 ZINC000041544087 400409390 /nfs/dbraw/zinc/40/93/90/400409390.db2.gz XOXZHXSEDKXCPV-GFCCVEGCSA-N -1 3 316.320 3.274 20 30 DGEDHM COc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)c([O-])c1 ZINC000135413937 400586115 /nfs/dbraw/zinc/58/61/15/400586115.db2.gz JIWXTHBVRNSDNM-UHFFFAOYSA-N -1 3 302.717 3.178 20 30 DGEDHM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000613296364 400691864 /nfs/dbraw/zinc/69/18/64/400691864.db2.gz BLHBGEWJWMOOFR-AWEZNQCLSA-N -1 3 302.337 3.270 20 30 DGEDHM Cc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c([O-])c1C ZINC000618891010 400711394 /nfs/dbraw/zinc/71/13/94/400711394.db2.gz QINYTYZVKYYXBL-QGZVFWFLSA-N -1 3 306.365 3.298 20 30 DGEDHM O=C(COc1cccc(Cl)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000078379958 400794966 /nfs/dbraw/zinc/79/49/66/400794966.db2.gz FRJNWGGQRDEVJJ-UHFFFAOYSA-N -1 3 320.658 3.144 20 30 DGEDHM O=C(COc1cccc(Cl)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000078379958 400794970 /nfs/dbraw/zinc/79/49/70/400794970.db2.gz FRJNWGGQRDEVJJ-UHFFFAOYSA-N -1 3 320.658 3.144 20 30 DGEDHM N#CC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCCCC1 ZINC000598652928 400851415 /nfs/dbraw/zinc/85/14/15/400851415.db2.gz PKTLCYOAIPWFTR-UHFFFAOYSA-N -1 3 312.291 3.367 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(SCC#N)c2)nc(C)n1 ZINC000080379064 400946453 /nfs/dbraw/zinc/94/64/53/400946453.db2.gz NNAJBAQNIYXALE-HNNXBMFYSA-N -1 3 322.393 3.199 20 30 DGEDHM C=CCOc1ccc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1Cl ZINC000629772728 401085251 /nfs/dbraw/zinc/08/52/51/401085251.db2.gz VYDOVSPSDZJHKG-TZMCWYRMSA-N -1 3 323.820 3.447 20 30 DGEDHM Cc1cc(C)cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000060851168 401137513 /nfs/dbraw/zinc/13/75/13/401137513.db2.gz GJBKRIALGIFRTI-OAHLLOKOSA-N -1 3 308.385 3.111 20 30 DGEDHM N#CC1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCC1 ZINC000081731178 401090266 /nfs/dbraw/zinc/09/02/66/401090266.db2.gz JHTJBYDBKNGJPF-UHFFFAOYSA-N -1 3 303.272 3.032 20 30 DGEDHM N#CC1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCC1 ZINC000081731178 401090275 /nfs/dbraw/zinc/09/02/75/401090275.db2.gz JHTJBYDBKNGJPF-UHFFFAOYSA-N -1 3 303.272 3.032 20 30 DGEDHM N#CC1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCC1 ZINC000081731178 401090280 /nfs/dbraw/zinc/09/02/80/401090280.db2.gz JHTJBYDBKNGJPF-UHFFFAOYSA-N -1 3 303.272 3.032 20 30 DGEDHM CCC(C#N)(CC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000599934013 401161911 /nfs/dbraw/zinc/16/19/11/401161911.db2.gz KJEZJMRMRRDNCL-UHFFFAOYSA-N -1 3 324.764 3.101 20 30 DGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594752428 401170137 /nfs/dbraw/zinc/17/01/37/401170137.db2.gz BYEIJCFAUYNBSN-JTQLQIEISA-N -1 3 320.439 3.324 20 30 DGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000089495688 401225551 /nfs/dbraw/zinc/22/55/51/401225551.db2.gz NTZBHDGMFSGLFP-UHFFFAOYSA-N -1 3 316.373 3.106 20 30 DGEDHM Cc1c(C(=O)[N-]c2nc(C)cc(C)c2C#N)oc2c1C(=O)CCC2 ZINC000622911455 401437249 /nfs/dbraw/zinc/43/72/49/401437249.db2.gz GXMNJKVBRPKNIS-UHFFFAOYSA-N -1 3 323.352 3.243 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(Cl)c1 ZINC000225225805 165381129 /nfs/dbraw/zinc/38/11/29/165381129.db2.gz QCAKOAHFEAJOGT-UHFFFAOYSA-N -1 3 310.737 3.152 20 30 DGEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1C#N ZINC000137193574 432173819 /nfs/dbraw/zinc/17/38/19/432173819.db2.gz FIVXACLCUPVEJW-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM Cn1cc(Cl)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190940223 432204218 /nfs/dbraw/zinc/20/42/18/432204218.db2.gz JEOFKLQZYGLQIR-LLVKDONJSA-N -1 3 310.744 3.112 20 30 DGEDHM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1ccccn1 ZINC000155699973 227117990 /nfs/dbraw/zinc/11/79/90/227117990.db2.gz ZDLNXPCRJWWCCA-JTQLQIEISA-N -1 3 324.290 3.240 20 30 DGEDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCC(F)(F)F ZINC000331049153 229015181 /nfs/dbraw/zinc/01/51/81/229015181.db2.gz WWCQXGPYZFGOPG-UHFFFAOYSA-N -1 3 305.300 3.045 20 30 DGEDHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2C(C)C)c([O-])c1 ZINC000331227273 229023444 /nfs/dbraw/zinc/02/34/44/229023444.db2.gz DRHALSGTZJZHGF-OAHLLOKOSA-N -1 3 318.417 3.042 20 30 DGEDHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H]2C(C)C)c([O-])c1 ZINC000331227272 229023477 /nfs/dbraw/zinc/02/34/77/229023477.db2.gz DRHALSGTZJZHGF-HNNXBMFYSA-N -1 3 318.417 3.042 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3ccc(F)cc3c2)nc(C)n1 ZINC000340186662 229086934 /nfs/dbraw/zinc/08/69/34/229086934.db2.gz UBEVMWOXGYBTEA-HNNXBMFYSA-N -1 3 320.327 3.271 20 30 DGEDHM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1nc2ccccc2[nH]1 ZINC000348558175 229202331 /nfs/dbraw/zinc/20/23/31/229202331.db2.gz VZYXAZPGOVTBCB-LLVKDONJSA-N -1 3 323.377 3.187 20 30 DGEDHM N#CC(=C([O-])c1ccc2nsnc2c1)c1nc2ccccc2[nH]1 ZINC000354216031 229291919 /nfs/dbraw/zinc/29/19/19/229291919.db2.gz BVIFSMNGIJEVHT-SNVBAGLBSA-N -1 3 319.349 3.058 20 30 DGEDHM N#CC[C@H](CC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000356475889 229336936 /nfs/dbraw/zinc/33/69/36/229336936.db2.gz IHLFFBWQTKYNAN-OAHLLOKOSA-N -1 3 312.344 3.235 20 30 DGEDHM CN(C(=O)CCCc1ccc([O-])c(F)c1)c1cccc(C#N)c1 ZINC000527293382 267270917 /nfs/dbraw/zinc/27/09/17/267270917.db2.gz FVILVFHVZUYGJN-UHFFFAOYSA-N -1 3 312.344 3.389 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)cc1F ZINC000357489826 268162111 /nfs/dbraw/zinc/16/21/11/268162111.db2.gz VAKHNHOTKBJILG-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM COc1nc(C([O-])=C(C#N)c2ccccn2)cc2ccccc21 ZINC000114617835 431400540 /nfs/dbraw/zinc/40/05/40/431400540.db2.gz VPAYBXBNMXMSSD-AWEZNQCLSA-N -1 3 303.321 3.128 20 30 DGEDHM Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000117116462 431545920 /nfs/dbraw/zinc/54/59/20/431545920.db2.gz LATWYQSBYZLOBH-AWEZNQCLSA-N -1 3 321.409 3.402 20 30 DGEDHM Cc1ccc(C[C@@H](C#N)Sc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000117116462 431545925 /nfs/dbraw/zinc/54/59/25/431545925.db2.gz LATWYQSBYZLOBH-AWEZNQCLSA-N -1 3 321.409 3.402 20 30 DGEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1cnccn1 ZINC000077687459 431617132 /nfs/dbraw/zinc/61/71/32/431617132.db2.gz BIKMVPUUVDCHBG-UHFFFAOYSA-N -1 3 306.350 3.329 20 30 DGEDHM CCc1noc(CC)c1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000087279571 431852858 /nfs/dbraw/zinc/85/28/58/431852858.db2.gz VVXJJIICSCGXRP-UHFFFAOYSA-N -1 3 315.333 3.008 20 30 DGEDHM CCc1noc(CC)c1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000087279571 431852860 /nfs/dbraw/zinc/85/28/60/431852860.db2.gz VVXJJIICSCGXRP-UHFFFAOYSA-N -1 3 315.333 3.008 20 30 DGEDHM CCc1noc(CC)c1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000087279571 431852861 /nfs/dbraw/zinc/85/28/61/431852861.db2.gz VVXJJIICSCGXRP-UHFFFAOYSA-N -1 3 315.333 3.008 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1C(C)C ZINC000092693690 431910817 /nfs/dbraw/zinc/91/08/17/431910817.db2.gz MMXOQKBYEWDELM-CYBMUJFWSA-N -1 3 321.384 3.149 20 30 DGEDHM CC(C)NC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000049459036 431939872 /nfs/dbraw/zinc/93/98/72/431939872.db2.gz YDXQPVOOZZHULQ-HNNXBMFYSA-N -1 3 322.368 3.102 20 30 DGEDHM Cc1nn(-c2ccccc2)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000049456933 431940408 /nfs/dbraw/zinc/94/04/08/431940408.db2.gz MHEOZLQIYRPTNH-INIZCTEOSA-N -1 3 316.364 3.374 20 30 DGEDHM CC(C)Oc1ccc(C#N)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000056212291 431987606 /nfs/dbraw/zinc/98/76/06/431987606.db2.gz FYFIHIFFUCBFTE-UHFFFAOYSA-N -1 3 315.285 3.099 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)n[n-]2)o1 ZINC000193136396 432454819 /nfs/dbraw/zinc/45/48/19/432454819.db2.gz ZKRNBHSUQKSHOD-UHFFFAOYSA-N -1 3 306.325 3.297 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)[n-]n2)o1 ZINC000193136396 432454824 /nfs/dbraw/zinc/45/48/24/432454824.db2.gz ZKRNBHSUQKSHOD-UHFFFAOYSA-N -1 3 306.325 3.297 20 30 DGEDHM N#CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000262716000 432499869 /nfs/dbraw/zinc/49/98/69/432499869.db2.gz RVIPFJNMSREQOA-GOSISDBHSA-N -1 3 324.380 3.285 20 30 DGEDHM N#CC(=C([O-])c1cccnc1)c1nc2ccccc2n1C(F)F ZINC000193286229 432463566 /nfs/dbraw/zinc/46/35/66/432463566.db2.gz QWVHQTLBJYLZSB-LLVKDONJSA-N -1 3 312.279 3.316 20 30 DGEDHM CCc1ocnc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000265698667 432723181 /nfs/dbraw/zinc/72/31/81/432723181.db2.gz JGMVOHSRSQLWAP-UHFFFAOYSA-N -1 3 301.371 3.301 20 30 DGEDHM Cc1nc(-c2ccc(NC(=O)NC3CC(C)C3)cc2)cc(=O)[n-]1 ZINC000329940101 432884272 /nfs/dbraw/zinc/88/42/72/432884272.db2.gz UFPHGKMQRKDHHP-UHFFFAOYSA-N -1 3 312.373 3.282 20 30 DGEDHM Cc1nc(C2(NC(=O)c3csc(=O)[n-]3)CCCCCC2)no1 ZINC000329961676 432885852 /nfs/dbraw/zinc/88/58/52/432885852.db2.gz SGVCXFMRTDUUCI-UHFFFAOYSA-N -1 3 322.390 3.094 20 30 DGEDHM N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000280185849 433012146 /nfs/dbraw/zinc/01/21/46/433012146.db2.gz HKIYTIYQNPENBD-UHFFFAOYSA-N -1 3 321.380 3.119 20 30 DGEDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sccc1C#N ZINC000341663894 433195125 /nfs/dbraw/zinc/19/51/25/433195125.db2.gz IMIQJHASPLWGMR-UHFFFAOYSA-N -1 3 317.326 3.179 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)C)nc2C)nc(C)n1 ZINC000453575229 433212822 /nfs/dbraw/zinc/21/28/22/433212822.db2.gz DAIBQORRNOATPO-HNNXBMFYSA-N -1 3 308.385 3.410 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H]2C[C@H](c3ccccc3F)C2)c1[O-] ZINC000281473737 433307290 /nfs/dbraw/zinc/30/72/90/433307290.db2.gz CSSOJILGMUJCCS-DTFHQXIHSA-N -1 3 314.360 3.092 20 30 DGEDHM CCOc1ccc([C@@H]2C[C@H]2/N=C/c2ccc(O)c([O-])c2O)cc1 ZINC000281726304 433362643 /nfs/dbraw/zinc/36/26/43/433362643.db2.gz INCPUZXBFFVLCU-KDARVREZSA-N -1 3 313.353 3.177 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3ccccc3c2C)nc(C)n1 ZINC000361995904 433483598 /nfs/dbraw/zinc/48/35/98/433483598.db2.gz IGOCSJLHNBQBJC-HNNXBMFYSA-N -1 3 316.364 3.440 20 30 DGEDHM CNc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000355368546 433540900 /nfs/dbraw/zinc/54/09/00/433540900.db2.gz UOZSMJDKUVGOHR-UHFFFAOYSA-N -1 3 321.340 3.144 20 30 DGEDHM CNc1ccc(C#N)cc1NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000355368546 433540909 /nfs/dbraw/zinc/54/09/09/433540909.db2.gz UOZSMJDKUVGOHR-UHFFFAOYSA-N -1 3 321.340 3.144 20 30 DGEDHM CC(C)(C)C1CCC(C#N)([N-]S(=O)(=O)c2ccoc2)CC1 ZINC000284942481 433906152 /nfs/dbraw/zinc/90/61/52/433906152.db2.gz ARAIUWKFXCBIMK-UHFFFAOYSA-N -1 3 310.419 3.057 20 30 DGEDHM CCCOc1ccc(/C=N/[C@@H](c2nncn2C)C(C)C)c([O-])c1 ZINC000285465577 433958085 /nfs/dbraw/zinc/95/80/85/433958085.db2.gz RAQQFFCPFBBZJO-VHWUNXFSSA-N -1 3 316.405 3.126 20 30 DGEDHM C=C1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000436419206 433965486 /nfs/dbraw/zinc/96/54/86/433965486.db2.gz BNSXRWBUCIWJQJ-UHFFFAOYSA-N -1 3 321.376 3.415 20 30 DGEDHM CC(C)[C@@H](C#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436558363 434012387 /nfs/dbraw/zinc/01/23/87/434012387.db2.gz XGXVOJIAFAJGQD-QGZVFWFLSA-N -1 3 324.380 3.249 20 30 DGEDHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000345941886 434014119 /nfs/dbraw/zinc/01/41/19/434014119.db2.gz GXJNASAHTSVJRB-JTQLQIEISA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1csc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000357864305 434221272 /nfs/dbraw/zinc/22/12/72/434221272.db2.gz ZRXMUISNJOIYIJ-UHFFFAOYSA-N -1 3 310.338 3.231 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000416946337 434257471 /nfs/dbraw/zinc/25/74/71/434257471.db2.gz ATQFBFUSYQMMBR-HNNXBMFYSA-N -1 3 315.398 3.101 20 30 DGEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000437517834 434280079 /nfs/dbraw/zinc/28/00/79/434280079.db2.gz VSHLIRHPINZWDB-RHSMWYFYSA-N -1 3 303.402 3.227 20 30 DGEDHM CCc1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)NC23CCC3)c1 ZINC000328692595 434302759 /nfs/dbraw/zinc/30/27/59/434302759.db2.gz JEOCIGOIXURGJG-CQSZACIVSA-N -1 3 302.374 3.301 20 30 DGEDHM 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CC(C)(C)OC(=O)N=c1[n-]cc(C=NNc2ccccn2)s1 ZINC000496618535 435232907 /nfs/dbraw/zinc/23/29/07/435232907.db2.gz RCNATUYKOABGNJ-UHFFFAOYSA-N -1 3 319.390 3.331 20 30 DGEDHM CC(C)c1cc(C(=O)N[C@@]2(C#N)CCOC2)c([O-])c(C(C)C)c1 ZINC000478662029 435308892 /nfs/dbraw/zinc/30/88/92/435308892.db2.gz NXIIIJQTJQEMCY-GOSISDBHSA-N -1 3 316.401 3.051 20 30 DGEDHM N#CCCC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000566275280 435286500 /nfs/dbraw/zinc/28/65/00/435286500.db2.gz PLBUEYRITCZQBW-UHFFFAOYSA-N -1 3 318.392 3.396 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431740 435297215 /nfs/dbraw/zinc/29/72/15/435297215.db2.gz BUHGCRFSZJLMLO-QMMMGPOBSA-N -1 3 309.719 3.062 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000497131324 435299419 /nfs/dbraw/zinc/29/94/19/435299419.db2.gz MOOAELOOCRRLAT-GFCCVEGCSA-N -1 3 320.389 3.198 20 30 DGEDHM Cc1cc([N-]c2nc(C#N)c(Cl)s2)nn1[C@H](C)C1CC1 ZINC000596191007 435311628 /nfs/dbraw/zinc/31/16/28/435311628.db2.gz DRZXHQSZFVFESJ-MRVPVSSYSA-N -1 3 307.810 3.888 20 30 DGEDHM N#CC(=C([O-])c1ccc(OC2CCCC2)nc1)c1ccccn1 ZINC000541017335 435632718 /nfs/dbraw/zinc/63/27/18/435632718.db2.gz DNSIOZGQIZSWPN-OAHLLOKOSA-N -1 3 307.353 3.288 20 30 DGEDHM C#C[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(Cl)cc1 ZINC000491760107 435807348 /nfs/dbraw/zinc/80/73/48/435807348.db2.gz PEOUTUUQNVOJRV-UGNSCYDZSA-N -1 3 314.772 3.035 20 30 DGEDHM CC(C)(C(=O)Nc1cccc([O-])c1F)c1cc(F)cc(C#N)c1 ZINC000552411858 435901547 /nfs/dbraw/zinc/90/15/47/435901547.db2.gz XURQBYMKFRXJQT-UHFFFAOYSA-N -1 3 316.307 3.458 20 30 DGEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc(C2CC2)cs1 ZINC000647376973 436035523 /nfs/dbraw/zinc/03/55/23/436035523.db2.gz HDALLTTUXNPGKL-ZDUSSCGKSA-N -1 3 310.378 3.445 20 30 DGEDHM N#CC(=C([O-])c1ccc2cncn2c1)c1nc(C2CC2)cs1 ZINC000647379907 436036283 /nfs/dbraw/zinc/03/62/83/436036283.db2.gz XQWBQJFIJAEJMP-ZDUSSCGKSA-N -1 3 308.366 3.158 20 30 DGEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccsn3)sc2C1 ZINC000565290586 315250280 /nfs/dbraw/zinc/25/02/80/315250280.db2.gz PPJIIEOLLXNGEP-MRVPVSSYSA-N -1 3 303.412 3.453 20 30 DGEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1C(C)(C)C ZINC000048813420 334299037 /nfs/dbraw/zinc/29/90/37/334299037.db2.gz IXUBJHYRLUMGKP-LBPRGKRZSA-N -1 3 321.384 3.313 20 30 DGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000393793556 337093874 /nfs/dbraw/zinc/09/38/74/337093874.db2.gz GPFKPUCPYDJJSV-MRVPVSSYSA-N -1 3 324.265 3.144 20 30 DGEDHM C=CCC(CC=C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000162956076 340193908 /nfs/dbraw/zinc/19/39/08/340193908.db2.gz CXSPYCYQSLJGPN-UHFFFAOYSA-N -1 3 303.358 3.276 20 30 DGEDHM CC(C)Cn1ncc(C([O-])=C(C#N)c2ccccn2)c1C1CC1 ZINC000131183234 341064114 /nfs/dbraw/zinc/06/41/14/341064114.db2.gz VQMUEPSPMDMMSB-CQSZACIVSA-N -1 3 308.385 3.302 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3C)n[n-]2)o1 ZINC000178373889 534182809 /nfs/dbraw/zinc/18/28/09/534182809.db2.gz HAHCBUKDCPNSHP-UHFFFAOYSA-N -1 3 306.325 3.411 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3cccc(C#N)c3C)[n-]n2)o1 ZINC000178373889 534182818 /nfs/dbraw/zinc/18/28/18/534182818.db2.gz HAHCBUKDCPNSHP-UHFFFAOYSA-N -1 3 306.325 3.411 20 30 DGEDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000166123655 534738782 /nfs/dbraw/zinc/73/87/82/534738782.db2.gz GGJSYRBRBFYAQA-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc([O-])c(OC)c1 ZINC000357612455 526312034 /nfs/dbraw/zinc/31/20/34/526312034.db2.gz FKSUZOAITOBTBO-UHFFFAOYSA-N -1 3 311.381 3.272 20 30 DGEDHM C=C(C)CN(C)Cc1ccc(OC)c([O-])c1Br ZINC000355331805 526502082 /nfs/dbraw/zinc/50/20/82/526502082.db2.gz ZIKUQVRKULHBNY-UHFFFAOYSA-N -1 3 300.196 3.171 20 30 DGEDHM C=CCNC(=O)CN(Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176677282 526527460 /nfs/dbraw/zinc/52/74/60/526527460.db2.gz LLPQXHXSPOWLNN-INIZCTEOSA-N -1 3 324.424 3.258 20 30 DGEDHM C=CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160287296 526853782 /nfs/dbraw/zinc/85/37/82/526853782.db2.gz JWWQTSYTKKYRNU-UHFFFAOYSA-N -1 3 324.340 3.190 20 30 DGEDHM C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160287296 526853783 /nfs/dbraw/zinc/85/37/83/526853783.db2.gz JWWQTSYTKKYRNU-UHFFFAOYSA-N -1 3 324.340 3.190 20 30 DGEDHM C=CCOc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160287296 526853784 /nfs/dbraw/zinc/85/37/84/526853784.db2.gz JWWQTSYTKKYRNU-UHFFFAOYSA-N -1 3 324.340 3.190 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1cc(-c2ccccc2)no1 ZINC000348132146 527331721 /nfs/dbraw/zinc/33/17/21/527331721.db2.gz HHGCTMFISWFROG-UHFFFAOYSA-N -1 3 314.370 3.117 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1coc(-c2cccs2)n1 ZINC000348132214 527333871 /nfs/dbraw/zinc/33/38/71/527333871.db2.gz IMKPGTUINWIBRF-UHFFFAOYSA-N -1 3 320.399 3.179 20 30 DGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000352119003 527416994 /nfs/dbraw/zinc/41/69/94/527416994.db2.gz XIUAYGKXKZYABZ-SSDOTTSWSA-N -1 3 313.728 3.212 20 30 DGEDHM CC(C)(C#N)c1ccc(NC(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000337510506 527497825 /nfs/dbraw/zinc/49/78/25/527497825.db2.gz RAMHVJALNVDZOC-UHFFFAOYSA-N -1 3 323.331 3.150 20 30 DGEDHM CC(C)(C#N)c1ccc(NC(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000337510506 527497828 /nfs/dbraw/zinc/49/78/28/527497828.db2.gz RAMHVJALNVDZOC-UHFFFAOYSA-N -1 3 323.331 3.150 20 30 DGEDHM CC(C)(C#N)c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000337510506 527497835 /nfs/dbraw/zinc/49/78/35/527497835.db2.gz RAMHVJALNVDZOC-UHFFFAOYSA-N -1 3 323.331 3.150 20 30 DGEDHM C=CCN(CC=C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000435837121 527639852 /nfs/dbraw/zinc/63/98/52/527639852.db2.gz RYPAMKJYWLZFMP-UHFFFAOYSA-N -1 3 321.376 3.437 20 30 DGEDHM CC(C)Oc1cc([O-])ccc1NC(=O)c1sccc1C#N ZINC000432442560 528128339 /nfs/dbraw/zinc/12/83/39/528128339.db2.gz OHBDJITZTUHDRQ-UHFFFAOYSA-N -1 3 302.355 3.365 20 30 DGEDHM CCN(CCC#N)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000133572279 528372287 /nfs/dbraw/zinc/37/22/87/528372287.db2.gz JDAMQXUGDCJJDM-UHFFFAOYSA-N -1 3 324.380 3.347 20 30 DGEDHM CCOc1cccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000357666647 528633081 /nfs/dbraw/zinc/63/30/81/528633081.db2.gz ZLLXXEWLGDCAIE-CQSZACIVSA-N -1 3 320.352 3.155 20 30 DGEDHM CCCOc1ccc(/C=N/[C@H]2CCCn3nc(C)nc32)c([O-])c1 ZINC000177544934 528642767 /nfs/dbraw/zinc/64/27/67/528642767.db2.gz TVQHCZNEIKIWJX-LZNAANCOSA-N -1 3 314.389 3.035 20 30 DGEDHM CC(C)[C@H](C/N=C/c1ccc(O)c([O-])c1O)c1cccnc1 ZINC000177545212 528974214 /nfs/dbraw/zinc/97/42/14/528974214.db2.gz SSMJASAATZMEAP-FRSZACSASA-N -1 3 300.358 3.057 20 30 DGEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NNc2cccnc2)s1 ZINC000495667496 534919884 /nfs/dbraw/zinc/91/98/84/534919884.db2.gz GCIBPDJMCAHQNP-UHFFFAOYSA-N -1 3 319.390 3.331 20 30 DGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(-n2cccc2)c1 ZINC000073973962 545719696 /nfs/dbraw/zinc/71/96/96/545719696.db2.gz MHIZMEONYYXOCK-UHFFFAOYSA-N -1 3 319.324 3.492 20 30 DGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(-n2cccc2)c1 ZINC000073973962 545719699 /nfs/dbraw/zinc/71/96/99/545719699.db2.gz MHIZMEONYYXOCK-UHFFFAOYSA-N -1 3 319.324 3.492 20 30 DGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(-n2cccc2)c1 ZINC000073973962 545719707 /nfs/dbraw/zinc/71/97/07/545719707.db2.gz MHIZMEONYYXOCK-UHFFFAOYSA-N -1 3 319.324 3.492 20 30 DGEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000281651651 546389206 /nfs/dbraw/zinc/38/92/06/546389206.db2.gz YNOSODLTHWSCKT-KBXCAEBGSA-N -1 3 311.381 3.256 20 30 DGEDHM C[C@@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)N[O-] ZINC000671995643 547847230 /nfs/dbraw/zinc/84/72/30/547847230.db2.gz IEYWVTZQLNHASC-SNVBAGLBSA-N -1 3 314.366 3.236 20 30 DGEDHM COCc1cncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000680933878 549131757 /nfs/dbraw/zinc/13/17/57/549131757.db2.gz FVQZRZGXFRGVPU-MRXNPFEDSA-N -1 3 317.348 3.266 20 30 DGEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732266370 574569367 /nfs/dbraw/zinc/56/93/67/574569367.db2.gz ACMZWULXSHZDKU-UHFFFAOYSA-N -1 3 317.370 3.014 20 30 DGEDHM N#CCOc1ccc(COC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000733384444 574619541 /nfs/dbraw/zinc/61/95/41/574619541.db2.gz YDPHYXIHCHTPMC-UHFFFAOYSA-N -1 3 317.728 3.305 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2ccc3c(cnn3C(C)C)c2)c1[O-] ZINC000735228730 574692100 /nfs/dbraw/zinc/69/21/00/574692100.db2.gz GMZKIGFKEJDRMX-UHFFFAOYSA-N -1 3 324.384 3.269 20 30 DGEDHM C=CCOc1ccccc1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000735435934 574701785 /nfs/dbraw/zinc/70/17/85/574701785.db2.gz BOZACKLAEDVNMV-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM C=CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735435934 574701786 /nfs/dbraw/zinc/70/17/86/574701786.db2.gz BOZACKLAEDVNMV-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM C=CCCCCCN(C)c1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000735408614 574700978 /nfs/dbraw/zinc/70/09/78/574700978.db2.gz PNZRZHMBLAOHCP-UHFFFAOYSA-N -1 3 300.410 3.061 20 30 DGEDHM C=CCCCCCN(C)c1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000735408614 574700980 /nfs/dbraw/zinc/70/09/80/574700980.db2.gz PNZRZHMBLAOHCP-UHFFFAOYSA-N -1 3 300.410 3.061 20 30 DGEDHM CCC(N=Nc1cccnn1)c1cc(Br)ccc1[O-] ZINC000735976732 574725453 /nfs/dbraw/zinc/72/54/53/574725453.db2.gz MGNYFRDYVAIYLF-UHFFFAOYSA-N -1 3 321.178 3.171 20 30 DGEDHM C#CCOc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)cc1 ZINC000736089537 574731055 /nfs/dbraw/zinc/73/10/55/574731055.db2.gz MFPXJUIGUKSNMQ-IBGZPJMESA-N -1 3 323.392 3.394 20 30 DGEDHM CCCCCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736444638 574752899 /nfs/dbraw/zinc/75/28/99/574752899.db2.gz HZVKWDZCJDMCOC-UHFFFAOYSA-N -1 3 319.384 3.329 20 30 DGEDHM CCCCCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736444638 574752901 /nfs/dbraw/zinc/75/29/01/574752901.db2.gz HZVKWDZCJDMCOC-UHFFFAOYSA-N -1 3 319.384 3.329 20 30 DGEDHM CN(Cc1cccc(C#N)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736823358 574807788 /nfs/dbraw/zinc/80/77/88/574807788.db2.gz XYUQPKGCUXTAGA-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1cccc(C#N)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736823358 574807790 /nfs/dbraw/zinc/80/77/90/574807790.db2.gz XYUQPKGCUXTAGA-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1ccc(F)cc1C#N ZINC000737222130 574827622 /nfs/dbraw/zinc/82/76/22/574827622.db2.gz SOUHPYVMLGHPEX-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(F)cc1C#N ZINC000737222130 574827626 /nfs/dbraw/zinc/82/76/26/574827626.db2.gz SOUHPYVMLGHPEX-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(C#N)cc(C)c1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737230875 574827903 /nfs/dbraw/zinc/82/79/03/574827903.db2.gz JPHWMHZQQWAWBD-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM Cc1cc(C#N)cc(C)c1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737230875 574827905 /nfs/dbraw/zinc/82/79/05/574827905.db2.gz JPHWMHZQQWAWBD-UHFFFAOYSA-N -1 3 323.331 3.073 20 30 DGEDHM N#Cc1ccc([C@@H](NCCOC2CCCCCC2)C(=O)[O-])cc1 ZINC000739108785 574892689 /nfs/dbraw/zinc/89/26/89/574892689.db2.gz WYJDVMLXNANJFL-QGZVFWFLSA-N -1 3 316.401 3.013 20 30 DGEDHM COc1cccc([O-])c1/C=N/Cc1ccc(N2CC=CC2)cc1 ZINC000740616910 574937542 /nfs/dbraw/zinc/93/75/42/574937542.db2.gz XBWYAUBMQUUACA-XSFVSMFZSA-N -1 3 308.381 3.396 20 30 DGEDHM Cc1ccc([C@H](O)C/N=C/c2cc(Br)ccc2[O-])o1 ZINC000741165053 574952469 /nfs/dbraw/zinc/95/24/69/574952469.db2.gz FHDQARMCCZBIOY-DFWYYUMKSA-N -1 3 324.174 3.209 20 30 DGEDHM C[C@H](/N=C\c1ccccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000741166315 574952541 /nfs/dbraw/zinc/95/25/41/574952541.db2.gz ZVBSXQFQRSWKBD-ABYYHFPLSA-N -1 3 324.424 3.101 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@@H](C)Oc1ccccc1F ZINC000743041820 575032404 /nfs/dbraw/zinc/03/24/04/575032404.db2.gz CULAYHNPYNVPHS-ZGXHQARYSA-N -1 3 303.333 3.426 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@@H](C)Oc1ccc(F)cc1 ZINC000743042423 575032779 /nfs/dbraw/zinc/03/27/79/575032779.db2.gz KLWJDGKABXMWND-ZGXHQARYSA-N -1 3 303.333 3.426 20 30 DGEDHM CCOc1ccc(/C=N/CCN2Cc3ccccc3C2)c([O-])c1 ZINC000743538531 575055984 /nfs/dbraw/zinc/05/59/84/575055984.db2.gz MNPGFZMIZBQXMR-UDWIEESQSA-N -1 3 310.397 3.226 20 30 DGEDHM CCOc1ccc(/C=N\CCN2Cc3ccccc3C2)c([O-])c1 ZINC000743538529 575056049 /nfs/dbraw/zinc/05/60/49/575056049.db2.gz MNPGFZMIZBQXMR-NDENLUEZSA-N -1 3 310.397 3.226 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/CCc2ccc3ccccc3n2)c1O ZINC000743537920 575056077 /nfs/dbraw/zinc/05/60/77/575056077.db2.gz DISDSYXRVSHMLA-YBFXNURJSA-N -1 3 308.337 3.013 20 30 DGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCCCCC1 ZINC000743449535 575051831 /nfs/dbraw/zinc/05/18/31/575051831.db2.gz ZZSBCNLLVJZQNR-UHFFFAOYSA-N -1 3 308.447 3.249 20 30 DGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=C(C)C(C)(C)C ZINC000744033936 575068983 /nfs/dbraw/zinc/06/89/83/575068983.db2.gz YYZYGLJJVNJWAE-KXXVWKPMSA-N -1 3 314.385 3.335 20 30 DGEDHM CCOc1ccc(/C=N\C[C@](C)(O)c2ccsc2)c([O-])c1 ZINC000740763527 575218339 /nfs/dbraw/zinc/21/83/39/575218339.db2.gz KLVBKBJQAWXBEQ-SLHXSTLSSA-N -1 3 305.399 3.179 20 30 DGEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccc([O-])cc2F)o1 ZINC000729933336 575267185 /nfs/dbraw/zinc/26/71/85/575267185.db2.gz XRPVVWPUZMAMRC-UHFFFAOYSA-N -1 3 302.309 3.350 20 30 DGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1cccc2ccccc21 ZINC000747060597 575493650 /nfs/dbraw/zinc/49/36/50/575493650.db2.gz ZNMOHIHHDLBDAU-UHFFFAOYSA-N -1 3 303.321 3.314 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cnc3cccc(C)n23)ccc1[O-] ZINC000748997157 575619924 /nfs/dbraw/zinc/61/99/24/575619924.db2.gz AEWPJEUSCLZKRX-VQHVLOKHSA-N -1 3 308.337 3.253 20 30 DGEDHM [O-]c1c(O)ccc(/C=N\C[C@@H]2SCCc3ccccc32)c1O ZINC000749845400 575683177 /nfs/dbraw/zinc/68/31/77/575683177.db2.gz QPEDEHHFDUXVAK-QJVAEYLJSA-N -1 3 315.394 3.253 20 30 DGEDHM Cc1cccnc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000750683413 575745196 /nfs/dbraw/zinc/74/51/96/575745196.db2.gz CYXRTKUXSSCIJQ-CYBMUJFWSA-N -1 3 313.744 3.005 20 30 DGEDHM CCOC(=O)c1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)o1 ZINC000751515067 575787962 /nfs/dbraw/zinc/78/79/62/575787962.db2.gz YVPZPEMAYMZIII-YVMONPNESA-N -1 3 300.310 3.366 20 30 DGEDHM CCCC[C@H]1CCCC1=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000727255560 576115396 /nfs/dbraw/zinc/11/53/96/576115396.db2.gz QMAQREBIXUMUBL-HNNXBMFYSA-N -1 3 308.447 3.452 20 30 DGEDHM Cc1cccc2c1CCC[C@H]2/N=C\c1c([O-])c(C)ncc1CO ZINC000852999023 620658882 /nfs/dbraw/zinc/65/88/82/620658882.db2.gz ULEXHWOGEMEJRY-BYSCUOHCSA-N -1 3 310.397 3.393 20 30 DGEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1cccc(C(F)(F)F)c1 ZINC000917556202 620675966 /nfs/dbraw/zinc/67/59/66/620675966.db2.gz WBEYVSWZXXVEER-UHFFFAOYSA-N -1 3 320.278 3.208 20 30 DGEDHM COc1cc(C=NOCC2CCC2)cc(Br)c1[O-] ZINC000853440139 620695120 /nfs/dbraw/zinc/69/51/20/620695120.db2.gz UONJRZLILSATGV-UHFFFAOYSA-N -1 3 314.179 3.314 20 30 DGEDHM COc1cc(C(=O)/C=C2\COc3ccc(F)cc32)ccc1[O-] ZINC000918157030 620699774 /nfs/dbraw/zinc/69/97/74/620699774.db2.gz ZZNUXSIXXRDTSH-IZZDOVSWSA-N -1 3 300.285 3.199 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(CC(C)C)n3)nc21 ZINC000892706240 618143772 /nfs/dbraw/zinc/14/37/72/618143772.db2.gz UDJXTAPJIVVHJH-ZDUSSCGKSA-N -1 3 321.384 3.214 20 30 DGEDHM [O-]c1cc(Br)ccc1C=NNCCC(F)(F)F ZINC000853341099 618403101 /nfs/dbraw/zinc/40/31/01/618403101.db2.gz HQNXENWICZOBOP-UHFFFAOYSA-N -1 3 311.101 3.031 20 30 DGEDHM COc1ccc([C@H]2C[C@@H]2C(C)N=Nc2nc(C)cc(=O)[n-]2)cc1 ZINC000788928440 625298120 /nfs/dbraw/zinc/29/81/20/625298120.db2.gz KBXZHHOPRQFANI-HUUCEWRRSA-N -1 3 312.373 3.091 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCc3c(F)cccc32)c1[O-] ZINC000840704636 618963386 /nfs/dbraw/zinc/96/33/86/618963386.db2.gz ADWYLZUFUBBHPR-VXPBSYOQSA-N -1 3 314.360 3.224 20 30 DGEDHM CC[C@](C)(C/N=C\c1cc(Br)ccc1[O-])OC ZINC000840708020 618980576 /nfs/dbraw/zinc/98/05/76/618980576.db2.gz UEZUXOJFSMQSAP-ATDKOCKZSA-N -1 3 300.196 3.389 20 30 DGEDHM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(C[C@@H](C)C#N)c1=O ZINC000899347690 619327713 /nfs/dbraw/zinc/32/77/13/619327713.db2.gz BNCOHJZTIXLIPL-SMDDNHRTSA-N -1 3 303.793 3.318 20 30 DGEDHM C=CCC1(O)CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000899593215 619358843 /nfs/dbraw/zinc/35/88/43/619358843.db2.gz VHWFTXVKWWDQAU-UHFFFAOYSA-N -1 3 311.381 3.089 20 30 DGEDHM CC[C@@H](Nc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900095599 619404306 /nfs/dbraw/zinc/40/43/06/619404306.db2.gz GKIAVAQLPMMVFF-MRXNPFEDSA-N -1 3 302.349 3.434 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H]1CC(=O)Nc2ccccc21 ZINC000900677717 619445053 /nfs/dbraw/zinc/44/50/53/619445053.db2.gz CODISPZEEWXLDU-CYBMUJFWSA-N -1 3 304.390 3.301 20 30 DGEDHM O=C(c1cccc([C@H]2CCOC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901372517 619488374 /nfs/dbraw/zinc/48/83/74/619488374.db2.gz FSMPPVIDHJGOHZ-INIZCTEOSA-N -1 3 315.344 3.361 20 30 DGEDHM O=C([C@H]1C[C@@]12CCc1ccccc12)N([O-])Cc1ccc(F)cc1 ZINC000901372083 619490535 /nfs/dbraw/zinc/49/05/35/619490535.db2.gz PRODSKDDRBWNCW-IEBWSBKVSA-N -1 3 311.356 3.448 20 30 DGEDHM O=C(c1ccccc1OC(F)F)N([O-])Cc1ccc(F)cc1 ZINC000901375830 619491858 /nfs/dbraw/zinc/49/18/58/619491858.db2.gz LPECIRXEUHSQRH-UHFFFAOYSA-N -1 3 311.259 3.459 20 30 DGEDHM COc1cc(CC(=O)N([O-])Cc2ccc(F)cc2)ccc1C ZINC000901376362 619492370 /nfs/dbraw/zinc/49/23/70/619492370.db2.gz UGZOFQFFKOEKNL-UHFFFAOYSA-N -1 3 303.333 3.103 20 30 DGEDHM O=C(c1cccc(OC(F)F)c1)N([O-])Cc1ccc(F)cc1 ZINC000901379220 619492585 /nfs/dbraw/zinc/49/25/85/619492585.db2.gz SFKSRHJSGUJZHV-UHFFFAOYSA-N 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/nfs/dbraw/zinc/62/83/32/619628332.db2.gz NZPUVSLOCHGTDM-UHFFFAOYSA-N -1 3 315.369 3.327 20 30 DGEDHM CCOc1cc(C=NNCCc2ccccn2)cc(Cl)c1[O-] ZINC000789103491 625363419 /nfs/dbraw/zinc/36/34/19/625363419.db2.gz ZRSIUYRIDGCXRI-UHFFFAOYSA-N -1 3 319.792 3.006 20 30 DGEDHM C=C[C@H](CCC(=O)[O-])NCc1c(Cl)ccc2cccnc21 ZINC000904013359 619860321 /nfs/dbraw/zinc/86/03/21/619860321.db2.gz DROVJZJHTOFCRW-GFCCVEGCSA-N -1 3 304.777 3.397 20 30 DGEDHM Cc1cccc([C@H](CC(=O)[O-])NCc2cc(C#N)cs2)c1 ZINC000904046020 619864209 /nfs/dbraw/zinc/86/42/09/619864209.db2.gz ULZBCDOJESJLLL-HNNXBMFYSA-N -1 3 300.383 3.234 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CNCc1cccc(CCC(=O)[O-])c1 ZINC000904026555 619865383 /nfs/dbraw/zinc/86/53/83/619865383.db2.gz WQHPOMROOASMEZ-UHFFFAOYSA-N -1 3 322.408 3.482 20 30 DGEDHM CC[C@@H](C)n1nc(C(=O)N([O-])Cc2ccc(F)cc2)cc1C ZINC000904173341 619891944 /nfs/dbraw/zinc/89/19/44/619891944.db2.gz KIHSXFPUWFGOGK-LLVKDONJSA-N -1 3 305.353 3.333 20 30 DGEDHM CCCOc1cccnc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173902 619892172 /nfs/dbraw/zinc/89/21/72/619892172.db2.gz SOWZCOPGPRUBSR-UHFFFAOYSA-N -1 3 304.321 3.041 20 30 DGEDHM CC(C)Nc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000904174792 619892711 /nfs/dbraw/zinc/89/27/11/619892711.db2.gz JBHDOFOEQPSFAX-UHFFFAOYSA-N -1 3 303.337 3.073 20 30 DGEDHM CCCCN([O-])C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000904208233 619893381 /nfs/dbraw/zinc/89/33/81/619893381.db2.gz REPMHUWXPPWRKG-UHFFFAOYSA-N -1 3 324.380 3.173 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1 ZINC000904209328 619893905 /nfs/dbraw/zinc/89/39/05/619893905.db2.gz ZGLOVFLZXHUVEZ-NSHDSACASA-N -1 3 310.419 3.144 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)nn1C(C)C ZINC000904193614 619895518 /nfs/dbraw/zinc/89/55/18/619895518.db2.gz QZSGGASYIAYTBS-UHFFFAOYSA-N -1 3 307.781 3.457 20 30 DGEDHM CC[C@H]1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CCO1 ZINC000904197596 619896533 /nfs/dbraw/zinc/89/65/33/619896533.db2.gz IGUYQTTXYZIDFI-SJORKVTESA-N -1 3 305.418 3.432 20 30 DGEDHM C[C@@H]1C(=O)CC[C@@H]1CC(=O)N([O-])CCCCc1ccccc1 ZINC000904198104 619896777 /nfs/dbraw/zinc/89/67/77/619896777.db2.gz TWIKRDMXNYPKBH-GOEBONIOSA-N -1 3 303.402 3.232 20 30 DGEDHM CCCCCCN([O-])C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000904205215 619898168 /nfs/dbraw/zinc/89/81/68/619898168.db2.gz BHEIOQPJMSJYOS-UHFFFAOYSA-N -1 3 320.437 3.144 20 30 DGEDHM CCCCN([O-])C(=O)Cc1ccccc1OCc1ccncc1 ZINC000904215617 619898487 /nfs/dbraw/zinc/89/84/87/619898487.db2.gz GXQSRVAJRCCSIA-UHFFFAOYSA-N -1 3 314.385 3.221 20 30 DGEDHM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N([O-])CCCC ZINC000904215885 619898649 /nfs/dbraw/zinc/89/86/49/619898649.db2.gz OTVSIHYRLNKMHF-NSHDSACASA-N -1 3 320.817 3.040 20 30 DGEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(CC)ccc1[O-] ZINC000908651228 620215548 /nfs/dbraw/zinc/21/55/48/620215548.db2.gz AKMBYSISWZKYSF-OAHLLOKOSA-N -1 3 301.386 3.095 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913386731 620439627 /nfs/dbraw/zinc/43/96/27/620439627.db2.gz ZIULRKBJHDCJTO-UHFFFAOYSA-N -1 3 322.670 3.215 20 30 DGEDHM CNC(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1C ZINC000915115033 620568730 /nfs/dbraw/zinc/56/87/30/620568730.db2.gz TVUHJHSGJLZLGE-UHFFFAOYSA-N -1 3 302.761 3.464 20 30 DGEDHM CCCCNN=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000915966619 620609124 /nfs/dbraw/zinc/60/91/24/620609124.db2.gz YWYIKWVJKQELOY-UHFFFAOYSA-N -1 3 315.211 3.277 20 30 DGEDHM C=CCN(C(=O)c1cc2sccc2c([O-])c1)[C@H](C)COC ZINC000855375399 620896294 /nfs/dbraw/zinc/89/62/94/620896294.db2.gz LNEUOANDAHZKRV-LLVKDONJSA-N -1 3 305.399 3.270 20 30 DGEDHM C=CCCO[N-]C(=O)CCSc1nc2ccccc2s1 ZINC000856029395 620955335 /nfs/dbraw/zinc/95/53/35/620955335.db2.gz LTIFBTBONRHMOM-UHFFFAOYSA-N -1 3 308.428 3.402 20 30 DGEDHM C=CCCO[N-]C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000856028279 620955422 /nfs/dbraw/zinc/95/54/22/620955422.db2.gz FBTKTSHGSFCQIZ-UHFFFAOYSA-N -1 3 301.386 3.152 20 30 DGEDHM N#Cc1cc(NC(=O)c2[n-]cnc2C(F)(F)F)ccc1C1CC1 ZINC000921825294 620956337 /nfs/dbraw/zinc/95/63/37/620956337.db2.gz MIMQRBXWSBDVNR-UHFFFAOYSA-N -1 3 320.274 3.430 20 30 DGEDHM N#Cc1cc(NC(=O)c2nc[n-]c2C(F)(F)F)ccc1C1CC1 ZINC000921825294 620956340 /nfs/dbraw/zinc/95/63/40/620956340.db2.gz MIMQRBXWSBDVNR-UHFFFAOYSA-N -1 3 320.274 3.430 20 30 DGEDHM COc1ccc(C(F)(F)C(=O)[N-][C@](C)(C#N)CC(C)C)cc1 ZINC000755815315 621595422 /nfs/dbraw/zinc/59/54/22/621595422.db2.gz QUYWHUSIIRTYAO-HNNXBMFYSA-N -1 3 310.344 3.232 20 30 DGEDHM CS[C@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000864346931 621759257 /nfs/dbraw/zinc/75/92/57/621759257.db2.gz HFTQKKHVWDRDCR-RFLQBPERSA-N -1 3 300.221 3.468 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCCn2nccc21 ZINC000864348216 621759440 /nfs/dbraw/zinc/75/94/40/621759440.db2.gz HFJDGFQVCIUWPI-PFSWGADMSA-N -1 3 320.190 3.305 20 30 DGEDHM C#CCCCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000758452416 621782598 /nfs/dbraw/zinc/78/25/98/621782598.db2.gz DZTODTNFAJIMPD-UHFFFAOYSA-N -1 3 320.241 3.384 20 30 DGEDHM CCO[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])[C@@]12CCCO2 ZINC000758813605 621802450 /nfs/dbraw/zinc/80/24/50/621802450.db2.gz AHZSIOKPQWRJCN-DLRFTTELSA-N -1 3 309.793 3.191 20 30 DGEDHM N#Cc1cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)co1 ZINC000864969816 621839641 /nfs/dbraw/zinc/83/96/41/621839641.db2.gz XNJKXMKICADIOB-UHFFFAOYSA-N -1 3 302.359 3.303 20 30 DGEDHM C[C@H](C[C@@H]1CCOC1)/N=C\c1cc(Br)ccc1[O-] ZINC000759643361 621878201 /nfs/dbraw/zinc/87/82/01/621878201.db2.gz MGYQEIHJIIOZEW-ARWOWFLISA-N -1 3 312.207 3.389 20 30 DGEDHM O=C(C#Cc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000759707350 621884708 /nfs/dbraw/zinc/88/47/08/621884708.db2.gz QIACFRUSTUOXAC-UHFFFAOYSA-N -1 3 316.154 3.145 20 30 DGEDHM [O-]c1ccc(Br)cc1C=Nc1nc2cc[nH]cc-2n1 ZINC000760229967 621922551 /nfs/dbraw/zinc/92/25/51/621922551.db2.gz UNSVWSJNJCKLIE-UHFFFAOYSA-N -1 3 317.146 3.177 20 30 DGEDHM COc1ccc(C=NOCC(C)C)c(Br)c1[O-] ZINC000761013915 621979676 /nfs/dbraw/zinc/97/96/76/621979676.db2.gz UXJKFROLIQQMFK-UHFFFAOYSA-N -1 3 302.168 3.170 20 30 DGEDHM COc1cccc(OC)c1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866386539 622108083 /nfs/dbraw/zinc/10/80/83/622108083.db2.gz GDLQOWVIAPLTBC-LBPRGKRZSA-N -1 3 312.369 3.132 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000763098339 622122987 /nfs/dbraw/zinc/12/29/87/622122987.db2.gz WLVDUXRNJOSIAK-CFMHKOELSA-N -1 3 322.836 3.108 20 30 DGEDHM COc1cc(C=NNc2ccc(F)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000767009926 622368732 /nfs/dbraw/zinc/36/87/32/622368732.db2.gz DUOFAXPGUGTQKJ-UHFFFAOYSA-N -1 3 323.255 3.033 20 30 DGEDHM Cc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000768761993 622475103 /nfs/dbraw/zinc/47/51/03/622475103.db2.gz BVSWRKBMHQLZKV-GFCCVEGCSA-N -1 3 313.744 3.005 20 30 DGEDHM CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H]1CCC[C@@H]1C#N ZINC000870670185 622493627 /nfs/dbraw/zinc/49/36/27/622493627.db2.gz ACZDFPCIEIOZKC-ZWNOBZJWSA-N -1 3 300.383 3.371 20 30 DGEDHM CCc1nn(C)cc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000770570828 622647206 /nfs/dbraw/zinc/64/72/06/622647206.db2.gz KKWBSJZAQMLULB-MKVDPYIPSA-N -1 3 300.333 3.211 20 30 DGEDHM COc1ccc(CCC(=O)[N-]O[C@H](C)c2cccc(C#N)c2)cc1 ZINC000871798412 622702031 /nfs/dbraw/zinc/70/20/31/622702031.db2.gz VEKXDVDKGZSEQS-CQSZACIVSA-N -1 3 324.380 3.308 20 30 DGEDHM COc1ccc(CCC(=O)[N-]OCCCC(C)(C)C#N)cc1 ZINC000871798116 622702577 /nfs/dbraw/zinc/70/25/77/622702577.db2.gz PFIKKZKBFAXSKO-UHFFFAOYSA-N -1 3 304.390 3.006 20 30 DGEDHM O=C(OCC#Cc1ccc(F)cc1)c1cc(-c2ccco2)[n-]n1 ZINC000771329525 622742590 /nfs/dbraw/zinc/74/25/90/622742590.db2.gz WYNSRWCGVQEXEG-UHFFFAOYSA-N -1 3 310.284 3.017 20 30 DGEDHM O=C(OCC#Cc1ccc(F)cc1)c1cc(-c2ccco2)n[n-]1 ZINC000771329525 622742595 /nfs/dbraw/zinc/74/25/95/622742595.db2.gz WYNSRWCGVQEXEG-UHFFFAOYSA-N -1 3 310.284 3.017 20 30 DGEDHM C#C[C@H]1CC[C@H](Nc2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000872780452 622977687 /nfs/dbraw/zinc/97/76/87/622977687.db2.gz KJABFOJQGDNNMJ-SAZUREKKSA-N -1 3 322.412 3.411 20 30 DGEDHM N#CCSCCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000805543918 623262231 /nfs/dbraw/zinc/26/22/31/623262231.db2.gz XVRVQRHJXBAPKT-UHFFFAOYSA-N -1 3 307.396 3.411 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(OC(F)F)cc2)c1 ZINC000776274862 623405092 /nfs/dbraw/zinc/40/50/92/623405092.db2.gz PPJLLVYWFUPTBC-UHFFFAOYSA-N -1 3 319.263 3.222 20 30 DGEDHM Cc1cc(COC(=O)c2cc([O-])cc(C#N)c2)c2ccccc2n1 ZINC000776275418 623405329 /nfs/dbraw/zinc/40/53/29/623405329.db2.gz RXHYHWSGRKSNBI-UHFFFAOYSA-N -1 3 318.332 3.478 20 30 DGEDHM COc1cccc(N=NCc2ccc([O-])c(Br)c2)n1 ZINC000779816902 623812010 /nfs/dbraw/zinc/81/20/10/623812010.db2.gz KPESASALQDZEOF-UHFFFAOYSA-N -1 3 322.162 3.004 20 30 DGEDHM COc1cccc(NN=Cc2ccc([O-])c(Br)c2)n1 ZINC000779816902 623812017 /nfs/dbraw/zinc/81/20/17/623812017.db2.gz KPESASALQDZEOF-UHFFFAOYSA-N -1 3 322.162 3.004 20 30 DGEDHM N#Cc1ccc(C/N=C/c2cc(Br)ccc2[O-])nc1 ZINC000780150872 623868255 /nfs/dbraw/zinc/86/82/55/623868255.db2.gz ZCTGCALOJMMJTN-CAOOACKPSA-N -1 3 316.158 3.040 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000784880139 624592198 /nfs/dbraw/zinc/59/21/98/624592198.db2.gz UXXBKMWVGCOIJU-INIZCTEOSA-N -1 3 302.330 3.088 20 30 DGEDHM O=C(C#Cc1ccccc1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000785667040 624710132 /nfs/dbraw/zinc/71/01/32/624710132.db2.gz VLQYZPKNJOGGEO-UHFFFAOYSA-N -1 3 321.254 3.281 20 30 DGEDHM CC(C)Sc1cccc(Cl)c1C=NN=c1cc[n-]n1C ZINC000786036562 624783134 /nfs/dbraw/zinc/78/31/34/624783134.db2.gz LCRYUODQKJKGJD-UHFFFAOYSA-N -1 3 308.838 3.442 20 30 DGEDHM CC(C)(C)CC(=N[N-]S(=O)(=O)CCc1ccccc1)C1CC1 ZINC000787158105 624983585 /nfs/dbraw/zinc/98/35/85/624983585.db2.gz QZRLWDVRXPFQRU-UHFFFAOYSA-N -1 3 322.474 3.351 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2ccc(F)c(C3CC3)c2)c1[O-] ZINC000798344107 626210429 /nfs/dbraw/zinc/21/04/29/626210429.db2.gz ZQDMNJHLCYDZLM-UHFFFAOYSA-N -1 3 300.333 3.355 20 30 DGEDHM CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(C#N)c2)c([O-])c1 ZINC000799712400 626323316 /nfs/dbraw/zinc/32/33/16/626323316.db2.gz DIQXVMZKOIKKMG-UHFFFAOYSA-N -1 3 324.336 3.001 20 30 DGEDHM Cc1nc(Cl)ccc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000802032235 626429622 /nfs/dbraw/zinc/42/96/22/626429622.db2.gz CXEFRIKSORMMCA-LLVKDONJSA-N -1 3 310.744 3.410 20 30 DGEDHM C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000811629366 627296346 /nfs/dbraw/zinc/29/63/46/627296346.db2.gz YAEAUGGBACQSEH-CQSZACIVSA-N -1 3 323.396 3.447 20 30 DGEDHM C[C@@H]1C(N=Nc2cccc(C(=O)[O-])c2)CCN1Cc1ccccc1 ZINC000811629205 627296681 /nfs/dbraw/zinc/29/66/81/627296681.db2.gz MCGOPOZNWSNXHD-CQSZACIVSA-N -1 3 323.396 3.447 20 30 DGEDHM CC(=NOCCOC(C)C)c1cc(Br)ccc1[O-] ZINC000812239215 627363316 /nfs/dbraw/zinc/36/33/16/627363316.db2.gz QFPRALFGQLGNAJ-UHFFFAOYSA-N -1 3 316.195 3.320 20 30 DGEDHM COC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccc(C(C)(C)C)cc1 ZINC000889638199 627449374 /nfs/dbraw/zinc/44/93/74/627449374.db2.gz VDAVRIIASSNCQT-INIZCTEOSA-N -1 3 324.371 3.121 20 30 DGEDHM Cn1c2ccccc2[nH]c1=NN=Cc1cccc([O-])c1Cl ZINC000814807322 627593458 /nfs/dbraw/zinc/59/34/58/627593458.db2.gz PMKWWXQVCQOILC-UHFFFAOYSA-N -1 3 300.749 3.378 20 30 DGEDHM CN(C)C(=O)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000819840327 628194823 /nfs/dbraw/zinc/19/48/23/628194823.db2.gz LSOZZZBQPOZLLK-UHFFFAOYSA-N -1 3 302.761 3.498 20 30 DGEDHM C[C@@H]1C(N=Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1c1ccccc1 ZINC000820641074 628281321 /nfs/dbraw/zinc/28/13/21/628281321.db2.gz ABYQFTWKGCFUCD-LRDDRELGSA-N -1 3 318.384 3.458 20 30 DGEDHM C[C@@H]1C(N=Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1c1ccccc1 ZINC000820641074 628281323 /nfs/dbraw/zinc/28/13/23/628281323.db2.gz ABYQFTWKGCFUCD-LRDDRELGSA-N -1 3 318.384 3.458 20 30 DGEDHM CCCCCC[C@@H](C)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821049628 628332316 /nfs/dbraw/zinc/33/23/16/628332316.db2.gz LUNNGBYRPCMLDV-LLVKDONJSA-N -1 3 306.439 3.211 20 30 DGEDHM CCOc1ccc(C=Nc2cccc(-c3nn[n-]n3)c2C)c(O)c1 ZINC000821418287 628365735 /nfs/dbraw/zinc/36/57/35/628365735.db2.gz YUVWWTVAZLNGCQ-UHFFFAOYSA-N -1 3 323.356 3.030 20 30 DGEDHM COc1ccc(C#N)cc1CSc1ccccc1-c1nnn[n-]1 ZINC000821769476 628396281 /nfs/dbraw/zinc/39/62/81/628396281.db2.gz HXGUANILRXNUDP-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1ccc(C#N)cc1CSc1ccccc1-c1nn[n-]n1 ZINC000821769476 628396284 /nfs/dbraw/zinc/39/62/84/628396284.db2.gz HXGUANILRXNUDP-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822224891 628430581 /nfs/dbraw/zinc/43/05/81/628430581.db2.gz DXKKPISYIYPKHK-DAXSKMNVSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1C ZINC000822225348 628430958 /nfs/dbraw/zinc/43/09/58/628430958.db2.gz ZQCHWCLRMHEBLH-ALCCZGGFSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)C2 ZINC000822274636 628434907 /nfs/dbraw/zinc/43/49/07/628434907.db2.gz DDMGSMJYGQMVOZ-WDZFZDKYSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)C2 ZINC000822274636 628434910 /nfs/dbraw/zinc/43/49/10/628434910.db2.gz DDMGSMJYGQMVOZ-WDZFZDKYSA-N -1 3 308.366 3.059 20 30 DGEDHM N#Cc1c(F)cccc1Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822819327 628498595 /nfs/dbraw/zinc/49/85/95/628498595.db2.gz PODOKTCCHYFQFG-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM N#Cc1c(F)cccc1Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822819327 628498600 /nfs/dbraw/zinc/49/86/00/628498600.db2.gz PODOKTCCHYFQFG-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1F ZINC000823503806 628570559 /nfs/dbraw/zinc/57/05/59/628570559.db2.gz JBMDPFRIGBTPBK-JLHYYAGUSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1F ZINC000823503806 628570562 /nfs/dbraw/zinc/57/05/62/628570562.db2.gz JBMDPFRIGBTPBK-JLHYYAGUSA-N -1 3 320.327 3.218 20 30 DGEDHM C=CCCC[C@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823893963 628608119 /nfs/dbraw/zinc/60/81/19/628608119.db2.gz CMTLODPWACNHGB-VIFPVBQESA-N -1 3 322.315 3.047 20 30 DGEDHM C=CCCC[C@H](C)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823893963 628608120 /nfs/dbraw/zinc/60/81/20/628608120.db2.gz CMTLODPWACNHGB-VIFPVBQESA-N -1 3 322.315 3.047 20 30 DGEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000823903864 628609195 /nfs/dbraw/zinc/60/91/95/628609195.db2.gz MNVDTLWMZCUAIH-UHFFFAOYSA-N -1 3 319.368 3.008 20 30 DGEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000823903864 628609199 /nfs/dbraw/zinc/60/91/99/628609199.db2.gz MNVDTLWMZCUAIH-UHFFFAOYSA-N -1 3 319.368 3.008 20 30 DGEDHM C=CCOc1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823932295 628610827 /nfs/dbraw/zinc/61/08/27/628610827.db2.gz SQYGSWVMRYTZFS-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM C=CCOc1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823932295 628610828 /nfs/dbraw/zinc/61/08/28/628610828.db2.gz SQYGSWVMRYTZFS-UHFFFAOYSA-N -1 3 307.357 3.044 20 30 DGEDHM CC(=NN[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953807 628612709 /nfs/dbraw/zinc/61/27/09/628612709.db2.gz QZRNTRMRSLFFDZ-SNVBAGLBSA-N -1 3 312.402 3.003 20 30 DGEDHM CC(=NNc1cc(C)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823958103 628613598 /nfs/dbraw/zinc/61/35/98/628613598.db2.gz CBFLNMDXAUMSRY-UHFFFAOYSA-N -1 3 316.365 3.212 20 30 DGEDHM CC(C)[C@H]1CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824216647 628638090 /nfs/dbraw/zinc/63/80/90/628638090.db2.gz UJXZVCPLBRFPGM-SNVBAGLBSA-N -1 3 319.800 3.139 20 30 DGEDHM CC(C)[C@H]1CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824216647 628638093 /nfs/dbraw/zinc/63/80/93/628638093.db2.gz UJXZVCPLBRFPGM-SNVBAGLBSA-N -1 3 319.800 3.139 20 30 DGEDHM CC(C)CN(CCC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255679 628644402 /nfs/dbraw/zinc/64/44/02/628644402.db2.gz SPPFNXMVCBIPBU-UHFFFAOYSA-N -1 3 312.421 3.269 20 30 DGEDHM CC1(C)CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000824796894 628694779 /nfs/dbraw/zinc/69/47/79/628694779.db2.gz UDSVFJBXFSCDKT-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM CC1(C)CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000824796894 628694780 /nfs/dbraw/zinc/69/47/80/628694780.db2.gz UDSVFJBXFSCDKT-UHFFFAOYSA-N -1 3 319.800 3.283 20 30 DGEDHM C[C@@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@H](C)C1 ZINC000824900292 628703861 /nfs/dbraw/zinc/70/38/61/628703861.db2.gz UMGJSGYJXCSXNH-RKDXNWHRSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@H](C)C1 ZINC000824900292 628703862 /nfs/dbraw/zinc/70/38/62/628703862.db2.gz UMGJSGYJXCSXNH-RKDXNWHRSA-N -1 3 319.800 3.139 20 30 DGEDHM CCCCCCCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825271521 628745144 /nfs/dbraw/zinc/74/51/44/628745144.db2.gz KQIVPRBKOJMPFK-UHFFFAOYSA-N -1 3 313.405 3.116 20 30 DGEDHM CCCCCCCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825271521 628745146 /nfs/dbraw/zinc/74/51/46/628745146.db2.gz KQIVPRBKOJMPFK-UHFFFAOYSA-N -1 3 313.405 3.116 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826281388 628837402 /nfs/dbraw/zinc/83/74/02/628837402.db2.gz PJJIKTWUAHSLRC-GQCTYLIASA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000826281388 628837404 /nfs/dbraw/zinc/83/74/04/628837404.db2.gz PJJIKTWUAHSLRC-GQCTYLIASA-N -1 3 314.345 3.272 20 30 DGEDHM N#Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000826384986 628850272 /nfs/dbraw/zinc/85/02/72/628850272.db2.gz SCNFJEOUGJKLPG-UHFFFAOYSA-N -1 3 316.777 3.065 20 30 DGEDHM N#Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000826384986 628850280 /nfs/dbraw/zinc/85/02/80/628850280.db2.gz SCNFJEOUGJKLPG-UHFFFAOYSA-N -1 3 316.777 3.065 20 30 DGEDHM N#CCC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381533 628850316 /nfs/dbraw/zinc/85/03/16/628850316.db2.gz PKJJIKMORGLVEA-HNNXBMFYSA-N -1 3 322.347 3.463 20 30 DGEDHM Fc1cccc(C2CC(N=Nc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826376496 628850671 /nfs/dbraw/zinc/85/06/71/628850671.db2.gz GJYXAQUHHBAZSR-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM Fc1cccc(C2CC(N=Nc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826376496 628850673 /nfs/dbraw/zinc/85/06/73/628850673.db2.gz GJYXAQUHHBAZSR-UHFFFAOYSA-N -1 3 322.347 3.351 20 30 DGEDHM C#CC[C@@H]1CCCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1 ZINC000826578981 628861327 /nfs/dbraw/zinc/86/13/27/628861327.db2.gz PCSUUPRXXUHBFI-CQSZACIVSA-N -1 3 322.412 3.046 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000828019274 629015409 /nfs/dbraw/zinc/01/54/09/629015409.db2.gz SPSPFUCHOYTPPE-WBMJQRKESA-N -1 3 322.355 3.376 20 30 DGEDHM CCOc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830099318 629225166 /nfs/dbraw/zinc/22/51/66/629225166.db2.gz CJEXDHQEINBLIR-ACJLOTCBSA-N -1 3 324.380 3.433 20 30 DGEDHM C=CCO[N-]C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000837049075 630206821 /nfs/dbraw/zinc/20/68/21/630206821.db2.gz YFINLXISXJCFFZ-UHFFFAOYSA-N -1 3 315.291 3.142 20 30 DGEDHM C[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])CS1 ZINC000840711512 630350976 /nfs/dbraw/zinc/35/09/76/630350976.db2.gz RHLUOSWNYVUPHE-MSLQNXCRSA-N -1 3 300.221 3.468 20 30 DGEDHM Cc1cc(Br)c([O-])c(CNCC2(C#N)CCC2)c1 ZINC000841899202 630474747 /nfs/dbraw/zinc/47/47/47/630474747.db2.gz UMJAWBOUJGWBOQ-UHFFFAOYSA-N -1 3 309.207 3.247 20 30 DGEDHM Cc1nc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2ccccn12 ZINC000842941753 630596434 /nfs/dbraw/zinc/59/64/34/630596434.db2.gz JQPLNMKFBMLAQZ-LBPRGKRZSA-N -1 3 322.393 3.467 20 30 DGEDHM CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000844658704 630757723 /nfs/dbraw/zinc/75/77/23/630757723.db2.gz ZKMUDSIVOCCQOJ-LBPRGKRZSA-N -1 3 314.382 3.048 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000846540096 631257220 /nfs/dbraw/zinc/25/72/20/631257220.db2.gz MCZJXEVOZQMTSJ-UHFFFAOYSA-N -1 3 301.386 3.152 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCCCC(=O)c1ccc(OC)cc1 ZINC000846550024 631258723 /nfs/dbraw/zinc/25/87/23/631258723.db2.gz QNKDDZOLYQGHJC-CYBMUJFWSA-N -1 3 305.374 3.061 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1COC2(CCC2)C1 ZINC000849172196 631852321 /nfs/dbraw/zinc/85/23/21/631852321.db2.gz NYNJWXILMUHZCN-WIJRQFRKSA-N -1 3 310.191 3.285 20 30 DGEDHM CC[C@H](Cc1ccc(F)cc1)/N=C/c1c([O-])c(C)ncc1CO ZINC000849170625 631852367 /nfs/dbraw/zinc/85/23/67/631852367.db2.gz RNKZSKUZLPLEEC-PPAWOMOGSA-N -1 3 316.376 3.167 20 30 DGEDHM CCOC(=O)C[C@H](/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000849171152 631852491 /nfs/dbraw/zinc/85/24/91/631852491.db2.gz YUFUPNPIYCQTHF-TUVHXFJTSA-N -1 3 323.698 3.349 20 30 DGEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc2c(c1)OCCO2 ZINC000794932486 661114564 /nfs/dbraw/zinc/11/45/64/661114564.db2.gz WLQGHNWZNFOLHG-DUXPYHPUSA-N -1 3 318.275 3.338 20 30 DGEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC000794926218 661113971 /nfs/dbraw/zinc/11/39/71/661113971.db2.gz JWFNRIKQHBMJOQ-XQRVVYSFSA-N -1 3 305.236 3.475 20 30 DGEDHM COc1ccc(O)cc1C(=O)/C=C\c1c(F)ccc([O-])c1F ZINC000794945790 661115573 /nfs/dbraw/zinc/11/55/73/661115573.db2.gz OXMONUTUWJWPLE-HYXAFXHYSA-N -1 3 306.264 3.281 20 30 DGEDHM [O-]c1c(Br)cccc1CN=Nc1cccc(F)n1 ZINC000795008834 661121337 /nfs/dbraw/zinc/12/13/37/661121337.db2.gz OXOKZKPLBSPWIO-UHFFFAOYSA-N -1 3 310.126 3.135 20 30 DGEDHM C=C[C@@](C)(CCOC)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000187563043 655551758 /nfs/dbraw/zinc/55/17/58/655551758.db2.gz PPKBUXPVAPOUTO-KRWDZBQOSA-N -1 3 318.373 3.364 20 30 DGEDHM C=C[C@@](C)(CCOC)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000187563043 655551759 /nfs/dbraw/zinc/55/17/59/655551759.db2.gz PPKBUXPVAPOUTO-KRWDZBQOSA-N -1 3 318.373 3.364 20 30 DGEDHM COc1ccc(N=Cc2ccc(O)c([O-])c2O)c2cccnc12 ZINC000255899076 655963337 /nfs/dbraw/zinc/96/33/37/655963337.db2.gz KLTBLNKRNGGSQU-UHFFFAOYSA-N -1 3 310.309 3.111 20 30 DGEDHM CN(Cc1cccc(C#N)c1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000026324642 656238588 /nfs/dbraw/zinc/23/85/88/656238588.db2.gz IIOZCLVAEONTJS-UHFFFAOYSA-N -1 3 320.348 3.002 20 30 DGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1 ZINC000128381442 658736754 /nfs/dbraw/zinc/73/67/54/658736754.db2.gz UIFPIBBNZYLTMN-INIZCTEOSA-N -1 3 310.353 3.420 20 30 DGEDHM COc1cnc([C@@H]2CCCN2CCCCC(C)(C)C#N)[n-]c1=O ZINC000934274078 661692669 /nfs/dbraw/zinc/69/26/69/661692669.db2.gz QVOSTOUWDQXFAD-ZDUSSCGKSA-N -1 3 318.421 3.048 20 30 DGEDHM C=C[C@](C)(CCOC)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000187563024 661888579 /nfs/dbraw/zinc/88/85/79/661888579.db2.gz PPKBUXPVAPOUTO-QGZVFWFLSA-N -1 3 318.373 3.364 20 30 DGEDHM C=C[C@](C)(CCOC)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000187563024 661888581 /nfs/dbraw/zinc/88/85/81/661888581.db2.gz PPKBUXPVAPOUTO-QGZVFWFLSA-N -1 3 318.373 3.364 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000398124261 685235867 /nfs/dbraw/zinc/23/58/67/685235867.db2.gz HZSAZFDCJJWSMT-SECBINFHSA-N -1 3 323.245 3.412 20 30 DGEDHM C=C[C@@H](C)ONC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001583408721 1192145483 /nfs/dbraw/zinc/14/54/83/1192145483.db2.gz QOZZQVWCBUWVCI-CQSZACIVSA-N -1 3 311.381 3.413 20 30 DGEDHM C=C(C)CCN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588424778 1192447672 /nfs/dbraw/zinc/44/76/72/1192447672.db2.gz MRKWATODLAIVGA-GFCCVEGCSA-N -1 3 311.311 3.026 20 30 DGEDHM C=C(C)CCN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588424778 1192447674 /nfs/dbraw/zinc/44/76/74/1192447674.db2.gz MRKWATODLAIVGA-GFCCVEGCSA-N -1 3 311.311 3.026 20 30 DGEDHM C=C[C@](C)(CC)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588495399 1192448681 /nfs/dbraw/zinc/44/86/81/1192448681.db2.gz DHVAMKIDIWMGJZ-QXPKXGMISA-N -1 3 312.373 3.025 20 30 DGEDHM C=C[C@](C)(CC)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588495399 1192448685 /nfs/dbraw/zinc/44/86/85/1192448685.db2.gz DHVAMKIDIWMGJZ-QXPKXGMISA-N -1 3 312.373 3.025 20 30 DGEDHM C=C[C@@H](CC)CC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588518899 1192449106 /nfs/dbraw/zinc/44/91/06/1192449106.db2.gz NNRZMXDTKSHCKL-JTQLQIEISA-N -1 3 319.796 3.085 20 30 DGEDHM C=C[C@@H](CC)CC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588518899 1192449110 /nfs/dbraw/zinc/44/91/10/1192449110.db2.gz NNRZMXDTKSHCKL-JTQLQIEISA-N -1 3 319.796 3.085 20 30 DGEDHM C=CC(C)(C)CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001588487966 1192449124 /nfs/dbraw/zinc/44/91/24/1192449124.db2.gz CKCOHVWUWZRWGK-UHFFFAOYSA-N -1 3 300.410 3.183 20 30 DGEDHM C=CC(C)(C)CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001588487966 1192449126 /nfs/dbraw/zinc/44/91/26/1192449126.db2.gz CKCOHVWUWZRWGK-UHFFFAOYSA-N -1 3 300.410 3.183 20 30 DGEDHM C=CCCC(C)(C)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588577004 1192449803 /nfs/dbraw/zinc/44/98/03/1192449803.db2.gz AAFKFVWALSKJSF-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CCCC(C)(C)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588577004 1192449805 /nfs/dbraw/zinc/44/98/05/1192449805.db2.gz AAFKFVWALSKJSF-UHFFFAOYSA-N -1 3 316.365 3.179 20 30 DGEDHM C=CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001588556639 1192450295 /nfs/dbraw/zinc/45/02/95/1192450295.db2.gz AROPXHDLWDOWMT-UHFFFAOYSA-N -1 3 316.336 3.048 20 30 DGEDHM C=CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001588556639 1192450296 /nfs/dbraw/zinc/45/02/96/1192450296.db2.gz AROPXHDLWDOWMT-UHFFFAOYSA-N -1 3 316.336 3.048 20 30 DGEDHM C=CCCC(C)(C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588577967 1192450987 /nfs/dbraw/zinc/45/09/87/1192450987.db2.gz SJSHAAQUFOWEAP-ZHACJKMWSA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCCC(C)(C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588577967 1192450993 /nfs/dbraw/zinc/45/09/93/1192450993.db2.gz SJSHAAQUFOWEAP-ZHACJKMWSA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCCN(C)c1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001588603354 1192451475 /nfs/dbraw/zinc/45/14/75/1192451475.db2.gz LZVVTGHOTJEHDI-UHFFFAOYSA-N -1 3 314.780 3.081 20 30 DGEDHM C=CCCN(C)c1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001588603354 1192451476 /nfs/dbraw/zinc/45/14/76/1192451476.db2.gz LZVVTGHOTJEHDI-UHFFFAOYSA-N -1 3 314.780 3.081 20 30 DGEDHM C=CCCC(C)(C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588577966 1192451782 /nfs/dbraw/zinc/45/17/82/1192451782.db2.gz SJSHAAQUFOWEAP-KHPPLWFESA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCCC(C)(C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588577966 1192451783 /nfs/dbraw/zinc/45/17/83/1192451783.db2.gz SJSHAAQUFOWEAP-KHPPLWFESA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCC[C@@H]1CCCN1c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001588582421 1192451939 /nfs/dbraw/zinc/45/19/39/1192451939.db2.gz KAKKZNXDALXLKB-LLVKDONJSA-N -1 3 318.812 3.159 20 30 DGEDHM C=CCC[C@@H]1CCCN1c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001588582421 1192451940 /nfs/dbraw/zinc/45/19/40/1192451940.db2.gz KAKKZNXDALXLKB-LLVKDONJSA-N -1 3 318.812 3.159 20 30 DGEDHM C=CCOCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588689718 1192452859 /nfs/dbraw/zinc/45/28/59/1192452859.db2.gz QFYFQVMUPWAZBT-UHFFFAOYSA-N -1 3 316.308 3.138 20 30 DGEDHM C=CCOCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588689718 1192452861 /nfs/dbraw/zinc/45/28/61/1192452861.db2.gz QFYFQVMUPWAZBT-UHFFFAOYSA-N -1 3 316.308 3.138 20 30 DGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1c(C)cc(C)cc1O ZINC001588780787 1192453442 /nfs/dbraw/zinc/45/34/42/1192453442.db2.gz NZORAKFDBDOZEM-UHFFFAOYSA-N -1 3 322.372 3.025 20 30 DGEDHM CC(C)(CCC#N)CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC001589272179 1192462282 /nfs/dbraw/zinc/46/22/82/1192462282.db2.gz HILMPASRWNWCTP-UHFFFAOYSA-N -1 3 321.388 3.157 20 30 DGEDHM CC(C)(CCC#N)CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC001589272179 1192462283 /nfs/dbraw/zinc/46/22/83/1192462283.db2.gz HILMPASRWNWCTP-UHFFFAOYSA-N -1 3 321.388 3.157 20 30 DGEDHM CC(C)C(CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C(C)C ZINC001589436918 1192464069 /nfs/dbraw/zinc/46/40/69/1192464069.db2.gz LUDLKDICDYLLPT-UHFFFAOYSA-N -1 3 321.816 3.241 20 30 DGEDHM CC(C)C(CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C(C)C ZINC001589436918 1192464073 /nfs/dbraw/zinc/46/40/73/1192464073.db2.gz LUDLKDICDYLLPT-UHFFFAOYSA-N -1 3 321.816 3.241 20 30 DGEDHM C[C@H](Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001589981843 1192481745 /nfs/dbraw/zinc/48/17/45/1192481745.db2.gz QRZRFEOMJMDGAJ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Nc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001589981843 1192481747 /nfs/dbraw/zinc/48/17/47/1192481747.db2.gz QRZRFEOMJMDGAJ-JTQLQIEISA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC001590024025 1192482613 /nfs/dbraw/zinc/48/26/13/1192482613.db2.gz UTIKYPJTGAGNRV-JTQLQIEISA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC001590024025 1192482616 /nfs/dbraw/zinc/48/26/16/1192482616.db2.gz UTIKYPJTGAGNRV-JTQLQIEISA-N -1 3 309.304 3.017 20 30 DGEDHM CCCCCCCCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001590593161 1192530078 /nfs/dbraw/zinc/53/00/78/1192530078.db2.gz YSUDRMUJSWJUHI-UHFFFAOYSA-N -1 3 302.426 3.449 20 30 DGEDHM CCCCCCCCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001590593161 1192530079 /nfs/dbraw/zinc/53/00/79/1192530079.db2.gz YSUDRMUJSWJUHI-UHFFFAOYSA-N -1 3 302.426 3.449 20 30 DGEDHM CCCCCCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001590592978 1192530565 /nfs/dbraw/zinc/53/05/65/1192530565.db2.gz QVCYWBLSSOIPRS-UHFFFAOYSA-N -1 3 320.368 3.410 20 30 DGEDHM CCCCCCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001590592978 1192530566 /nfs/dbraw/zinc/53/05/66/1192530566.db2.gz QVCYWBLSSOIPRS-UHFFFAOYSA-N -1 3 320.368 3.410 20 30 DGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1C#N ZINC001591136594 1192558876 /nfs/dbraw/zinc/55/88/76/1192558876.db2.gz GDHOFCRRQNXGQC-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1C#N ZINC001591136594 1192558883 /nfs/dbraw/zinc/55/88/83/1192558883.db2.gz GDHOFCRRQNXGQC-UHFFFAOYSA-N -1 3 324.775 3.028 20 30 DGEDHM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC001591582500 1192566256 /nfs/dbraw/zinc/56/62/56/1192566256.db2.gz AUAWLVCMPBIXCB-SOFGYWHQSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC001591582500 1192566261 /nfs/dbraw/zinc/56/62/61/1192566261.db2.gz AUAWLVCMPBIXCB-SOFGYWHQSA-N -1 3 320.352 3.080 20 30 DGEDHM CSCCCCCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001591699718 1192568932 /nfs/dbraw/zinc/56/89/32/1192568932.db2.gz XRSGNELEXSQIPI-UHFFFAOYSA-N -1 3 316.434 3.074 20 30 DGEDHM CSCCCCCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001591699718 1192568934 /nfs/dbraw/zinc/56/89/34/1192568934.db2.gz XRSGNELEXSQIPI-UHFFFAOYSA-N -1 3 316.434 3.074 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(C#N)s2)ccc1-c1nnn[n-]1 ZINC001591959075 1192582575 /nfs/dbraw/zinc/58/25/75/1192582575.db2.gz KMXBMAMWBHFKDM-ZZXKWVIFSA-N -1 3 321.365 3.004 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(C#N)s2)ccc1-c1nn[n-]n1 ZINC001591959075 1192582578 /nfs/dbraw/zinc/58/25/78/1192582578.db2.gz KMXBMAMWBHFKDM-ZZXKWVIFSA-N -1 3 321.365 3.004 20 30 DGEDHM Cc1cc(F)ccc1NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001591993309 1192587396 /nfs/dbraw/zinc/58/73/96/1192587396.db2.gz DAIHZSNYXVOWJF-UHFFFAOYSA-N -1 3 322.347 3.077 20 30 DGEDHM Cc1cc(F)ccc1NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001591993309 1192587398 /nfs/dbraw/zinc/58/73/98/1192587398.db2.gz DAIHZSNYXVOWJF-UHFFFAOYSA-N -1 3 322.347 3.077 20 30 DGEDHM Cc1cc(SCc2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001592067572 1192592392 /nfs/dbraw/zinc/59/23/92/1192592392.db2.gz YMASPWGJDDDMQA-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cc(SCc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001592067572 1192592402 /nfs/dbraw/zinc/59/24/02/1192592402.db2.gz YMASPWGJDDDMQA-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC001592143505 1192594775 /nfs/dbraw/zinc/59/47/75/1192594775.db2.gz FCKCXCSRFPHTQT-HJWRWDBZSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC001592143505 1192594778 /nfs/dbraw/zinc/59/47/78/1192594778.db2.gz FCKCXCSRFPHTQT-HJWRWDBZSA-N -1 3 304.353 3.380 20 30 DGEDHM O=C(C=Cc1ccsc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC001592802401 1192627295 /nfs/dbraw/zinc/62/72/95/1192627295.db2.gz SCARFYINASLRRD-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccsc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC001592802401 1192627297 /nfs/dbraw/zinc/62/72/97/1192627297.db2.gz SCARFYINASLRRD-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM Fc1cccc(Cl)c1N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC001592656555 1192624674 /nfs/dbraw/zinc/62/46/74/1192624674.db2.gz CJBRUUSWWCZIEP-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#CCCC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC001592675154 1192625951 /nfs/dbraw/zinc/62/59/51/1192625951.db2.gz SEVMARBFLAFYHD-OAHLLOKOSA-N -1 3 319.372 3.109 20 30 DGEDHM N#CCCC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC001592675154 1192625955 /nfs/dbraw/zinc/62/59/55/1192625955.db2.gz SEVMARBFLAFYHD-OAHLLOKOSA-N -1 3 319.372 3.109 20 30 DGEDHM N#Cc1ccc(Cl)cc1OCc1ccc(-c2nnn[n-]2)s1 ZINC001592693509 1192626067 /nfs/dbraw/zinc/62/60/67/1192626067.db2.gz HWSSDZJLKOEICC-UHFFFAOYSA-N -1 3 317.761 3.032 20 30 DGEDHM N#CC1CCC(CSCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592672263 1192626416 /nfs/dbraw/zinc/62/64/16/1192626416.db2.gz GLXNGWTUIGVQNO-UHFFFAOYSA-N -1 3 313.430 3.430 20 30 DGEDHM N#CC1CCC(CSCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592672263 1192626417 /nfs/dbraw/zinc/62/64/17/1192626417.db2.gz GLXNGWTUIGVQNO-UHFFFAOYSA-N -1 3 313.430 3.430 20 30 DGEDHM N#Cc1c(Cl)cccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001592684488 1192626622 /nfs/dbraw/zinc/62/66/22/1192626622.db2.gz SWVJCESIRUMQTJ-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001592684488 1192626624 /nfs/dbraw/zinc/62/66/24/1192626624.db2.gz SWVJCESIRUMQTJ-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc2c(c1)CCC2 ZINC001592700633 1192627903 /nfs/dbraw/zinc/62/79/03/1192627903.db2.gz NJRXUKIXQOZZOT-UHFFFAOYSA-N -1 3 303.325 3.019 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc2c(c1)CCC2 ZINC001592700633 1192627906 /nfs/dbraw/zinc/62/79/06/1192627906.db2.gz NJRXUKIXQOZZOT-UHFFFAOYSA-N -1 3 303.325 3.019 20 30 DGEDHM C#Cc1ccc(CNCc2cccc([O-])c2Br)cc1 ZINC001620942714 1192637664 /nfs/dbraw/zinc/63/76/64/1192637664.db2.gz SZRMCKKDYFWISS-UHFFFAOYSA-N -1 3 316.198 3.426 20 30 DGEDHM Cc1cc(C#N)cc(C)c1CN1CCc2cccc(C(=O)[O-])c2C1 ZINC001600074484 1192787648 /nfs/dbraw/zinc/78/76/48/1192787648.db2.gz GKMLNVUAOBQFCK-UHFFFAOYSA-N -1 3 320.392 3.432 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1c[nH]c2cccc(Br)c12 ZINC001640634715 1194822719 /nfs/dbraw/zinc/82/27/19/1194822719.db2.gz DBCZGZWIWFLOAK-SECBINFHSA-N -1 3 323.190 3.095 20 30 DGEDHM Cc1scc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1C ZINC001600890077 1192908997 /nfs/dbraw/zinc/90/89/97/1192908997.db2.gz KBICHWHZTSQDRF-HNNXBMFYSA-N -1 3 300.383 3.152 20 30 DGEDHM N#Cc1cccc([C@@H](N[C@@H](c2ccccn2)C2CCC2)C(=O)[O-])c1 ZINC001601118808 1192920345 /nfs/dbraw/zinc/92/03/45/1192920345.db2.gz LUJRJDLUFWOXOU-QZTJIDSGSA-N -1 3 321.380 3.210 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1sc(C)nc1CC(C)C ZINC001344325646 1179414237 /nfs/dbraw/zinc/41/42/37/1179414237.db2.gz ADXYEIZWWLOBLD-LBPRGKRZSA-N -1 3 316.430 3.357 20 30 DGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])C(F)=C1CCC1 ZINC001346109523 1179655555 /nfs/dbraw/zinc/65/55/55/1179655555.db2.gz FGQJYCSHJDRIQS-SNVBAGLBSA-N -1 3 306.724 3.395 20 30 DGEDHM C=C(CC)CN[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001602774575 1192996945 /nfs/dbraw/zinc/99/69/45/1192996945.db2.gz QQHOVVYIHYDDCZ-LBPRGKRZSA-N -1 3 303.280 3.267 20 30 DGEDHM C=C(CC)CNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001602767577 1192997179 /nfs/dbraw/zinc/99/71/79/1192997179.db2.gz JGNMBZYFJHOELO-UHFFFAOYSA-N -1 3 315.274 3.403 20 30 DGEDHM C=C(CC)CNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001602767577 1192997181 /nfs/dbraw/zinc/99/71/81/1192997181.db2.gz JGNMBZYFJHOELO-UHFFFAOYSA-N -1 3 315.274 3.403 20 30 DGEDHM C=CCCCCNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001602837691 1192999777 /nfs/dbraw/zinc/99/97/77/1192999777.db2.gz DXJZPTGFZBUFEU-UHFFFAOYSA-N -1 3 300.391 3.245 20 30 DGEDHM C=CCCCCNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001602837691 1192999781 /nfs/dbraw/zinc/99/97/81/1192999781.db2.gz DXJZPTGFZBUFEU-UHFFFAOYSA-N -1 3 300.391 3.245 20 30 DGEDHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1 ZINC001603190271 1193010525 /nfs/dbraw/zinc/01/05/25/1193010525.db2.gz JQUUJZPMGXKZKL-SJCJKPOMSA-N -1 3 312.344 3.249 20 30 DGEDHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC001603712493 1193027368 /nfs/dbraw/zinc/02/73/68/1193027368.db2.gz ZPOLSFILFFRXRJ-SNVBAGLBSA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC001603712493 1193027373 /nfs/dbraw/zinc/02/73/73/1193027373.db2.gz ZPOLSFILFFRXRJ-SNVBAGLBSA-N -1 3 309.304 3.017 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccccc1-c1nnn[n-]1 ZINC001603826858 1193033446 /nfs/dbraw/zinc/03/34/46/1193033446.db2.gz OIMPUHADINLKOX-HPUUJOOBSA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@@H]1c2ccccc2C(=O)C1=Cc1ccccc1-c1nn[n-]n1 ZINC001603826858 1193033448 /nfs/dbraw/zinc/03/34/48/1193033448.db2.gz OIMPUHADINLKOX-HPUUJOOBSA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@H]1C[C@H]1c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC001603870614 1193035858 /nfs/dbraw/zinc/03/58/58/1193035858.db2.gz JDKVUOIMODPTLL-IINYFYTJSA-N -1 3 308.345 3.029 20 30 DGEDHM C[C@H]1C[C@H]1c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC001603870614 1193035860 /nfs/dbraw/zinc/03/58/60/1193035860.db2.gz JDKVUOIMODPTLL-IINYFYTJSA-N -1 3 308.345 3.029 20 30 DGEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nc(-c3ccccc3)ns2)c1 ZINC001354652429 1180866799 /nfs/dbraw/zinc/86/67/99/1180866799.db2.gz XXVFUZNGBMHXQN-UHFFFAOYSA-N -1 3 324.340 3.468 20 30 DGEDHM C[C@@H](CN(Cc1ccc(C#N)s1)Cc1ccccc1)C(=O)[O-] ZINC001604165859 1193057856 /nfs/dbraw/zinc/05/78/56/1193057856.db2.gz PDHRJMREGYGBKY-ZDUSSCGKSA-N -1 3 314.410 3.343 20 30 DGEDHM C[C@@H](N[C@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001604321443 1193064540 /nfs/dbraw/zinc/06/45/40/1193064540.db2.gz FAKIVKJQANCGCA-ZIAGYGMSSA-N -1 3 324.380 3.433 20 30 DGEDHM C[C@H](NCC1(C#N)CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001604339125 1193066893 /nfs/dbraw/zinc/06/68/93/1193066893.db2.gz VZBPDSUURIAFNL-LBPRGKRZSA-N -1 3 302.374 3.215 20 30 DGEDHM C[C@H](NCc1cccc(OCC#N)c1)c1cc(C(=O)[O-])cs1 ZINC001604346372 1193067371 /nfs/dbraw/zinc/06/73/71/1193067371.db2.gz DYKUZNTUPGDSOI-NSHDSACASA-N -1 3 316.382 3.199 20 30 DGEDHM CCOCc1cccc(Nc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001604437199 1193072452 /nfs/dbraw/zinc/07/24/52/1193072452.db2.gz DMLLTTXYOYXOMN-UHFFFAOYSA-N -1 3 320.356 3.018 20 30 DGEDHM CCOCc1cccc(Nc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001604437199 1193072455 /nfs/dbraw/zinc/07/24/55/1193072455.db2.gz DMLLTTXYOYXOMN-UHFFFAOYSA-N -1 3 320.356 3.018 20 30 DGEDHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1CC#Cc1cccc(Cl)c1 ZINC001604653946 1193086610 /nfs/dbraw/zinc/08/66/10/1193086610.db2.gz CFRODHHJNIRJHL-CHWSQXEVSA-N -1 3 305.805 3.265 20 30 DGEDHM N#Cc1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c(F)c1 ZINC001357412142 1181396609 /nfs/dbraw/zinc/39/66/09/1181396609.db2.gz JLSJDVLMGQDKQV-UHFFFAOYSA-N -1 3 321.214 3.136 20 30 DGEDHM CCC(C#N)=C([O-])N=c1sccn1Cc1ccccc1Cl ZINC001443288644 1182098281 /nfs/dbraw/zinc/09/82/81/1182098281.db2.gz JWYRWZHZRCTDPC-LLVKDONJSA-N -1 3 319.817 3.228 20 30 DGEDHM CCc1cnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)o1 ZINC001457490093 1182467440 /nfs/dbraw/zinc/46/74/40/1182467440.db2.gz CPPAXJSINZVTDS-UHFFFAOYSA-N -1 3 308.297 3.016 20 30 DGEDHM CCCCCCN([O-])C(=O)Cc1cnn(-c2ccccc2)c1 ZINC001458010654 1182489750 /nfs/dbraw/zinc/48/97/50/1182489750.db2.gz JBMSYHJQEFWGJC-UHFFFAOYSA-N -1 3 301.390 3.213 20 30 DGEDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1N[C@@H](C)C#N ZINC001605750687 1193168878 /nfs/dbraw/zinc/16/88/78/1193168878.db2.gz ZWPCQBWQBXUWOD-LBPRGKRZSA-N -1 3 320.356 3.291 20 30 DGEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1N[C@@H](C)C#N ZINC001605750687 1193168881 /nfs/dbraw/zinc/16/88/81/1193168881.db2.gz ZWPCQBWQBXUWOD-LBPRGKRZSA-N -1 3 320.356 3.291 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c(C)c1 ZINC001605835222 1193178010 /nfs/dbraw/zinc/17/80/10/1193178010.db2.gz GCQCMDURXBVSRS-LZYBPNLTSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c(C)c1 ZINC001605835222 1193178013 /nfs/dbraw/zinc/17/80/13/1193178013.db2.gz GCQCMDURXBVSRS-LZYBPNLTSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc(F)cc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001605864301 1193180932 /nfs/dbraw/zinc/18/09/32/1193180932.db2.gz YFJUPGGPYMWQGD-AUWJEWJLSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc(F)cc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001605864301 1193180935 /nfs/dbraw/zinc/18/09/35/1193180935.db2.gz YFJUPGGPYMWQGD-AUWJEWJLSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001605964817 1193186641 /nfs/dbraw/zinc/18/66/41/1193186641.db2.gz CDCCDMDMFYTWCA-WAYWQWQTSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001605964817 1193186645 /nfs/dbraw/zinc/18/66/45/1193186645.db2.gz CDCCDMDMFYTWCA-WAYWQWQTSA-N -1 3 314.345 3.272 20 30 DGEDHM Clc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC001606190424 1193194337 /nfs/dbraw/zinc/19/43/37/1193194337.db2.gz AHNFXWRMSFPBHD-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC001606190424 1193194339 /nfs/dbraw/zinc/19/43/39/1193194339.db2.gz AHNFXWRMSFPBHD-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM FC(F)(F)c1cc(N=NC[C@H]2CC23CC3)ccc1-c1nnn[n-]1 ZINC001606292491 1193196087 /nfs/dbraw/zinc/19/60/87/1193196087.db2.gz WOIALWZEAXCIJJ-MRVPVSSYSA-N -1 3 322.294 3.083 20 30 DGEDHM FC(F)(F)c1cc(N=NC[C@H]2CC23CC3)ccc1-c1nn[n-]n1 ZINC001606292491 1193196089 /nfs/dbraw/zinc/19/60/89/1193196089.db2.gz WOIALWZEAXCIJJ-MRVPVSSYSA-N -1 3 322.294 3.083 20 30 DGEDHM N#CC1(CCOc2ccc(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001606343108 1193198868 /nfs/dbraw/zinc/19/88/68/1193198868.db2.gz 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CCCCCCN([O-])C(=O)[C@@H]1CCCCN1Cc1cccnc1 ZINC001472621141 1183656484 /nfs/dbraw/zinc/65/64/84/1183656484.db2.gz IPOYLSBTPHMYBV-KRWDZBQOSA-N -1 3 319.449 3.234 20 30 DGEDHM Cn1c(C#N)ccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001472618211 1183657253 /nfs/dbraw/zinc/65/72/53/1183657253.db2.gz XBEBOEUTRYCVID-UHFFFAOYSA-N -1 3 324.167 3.235 20 30 DGEDHM N#Cc1ccc(CNCc2ccnc3c(C(=O)[O-])cccc23)s1 ZINC001608207755 1193282896 /nfs/dbraw/zinc/28/28/96/1193282896.db2.gz QSOAFCWXZBOXKV-UHFFFAOYSA-N -1 3 323.377 3.156 20 30 DGEDHM N#Cc1ccc(C2CCN(Cc3cccc(C(=O)[O-])n3)CC2)cc1 ZINC001608203737 1193283225 /nfs/dbraw/zinc/28/32/25/1193283225.db2.gz HXSUCRSINHSLQS-UHFFFAOYSA-N -1 3 321.380 3.031 20 30 DGEDHM N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccsc1 ZINC001608214302 1193283540 /nfs/dbraw/zinc/28/35/40/1193283540.db2.gz LMOOQCFTRRPQIY-JKSUJKDBSA-N -1 3 312.394 3.413 20 30 DGEDHM N#Cc1cccc([C@H](N[C@H]2CCCc3ccc(F)cc32)C(=O)[O-])c1 ZINC001608215399 1193284105 /nfs/dbraw/zinc/28/41/05/1193284105.db2.gz KHGHPTGVSORQGR-ROUUACIJSA-N -1 3 324.355 3.490 20 30 DGEDHM CC(=NNc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001609061256 1193322338 /nfs/dbraw/zinc/32/23/38/1193322338.db2.gz QCZORDNDPYRWBG-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM C=CCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC001609059590 1193322670 /nfs/dbraw/zinc/32/26/70/1193322670.db2.gz ZDMMLFCQXWHODK-UHFFFAOYSA-N -1 3 322.368 3.183 20 30 DGEDHM C=CCc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC001609059590 1193322673 /nfs/dbraw/zinc/32/26/73/1193322673.db2.gz ZDMMLFCQXWHODK-UHFFFAOYSA-N -1 3 322.368 3.183 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609152577 1193327322 /nfs/dbraw/zinc/32/73/22/1193327322.db2.gz GPMJSMNXUBJJKF-YAFRSCOQSA-N -1 3 302.337 3.250 20 30 DGEDHM C[C@H]1c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609152577 1193327325 /nfs/dbraw/zinc/32/73/25/1193327325.db2.gz GPMJSMNXUBJJKF-YAFRSCOQSA-N -1 3 302.337 3.250 20 30 DGEDHM CCCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001609208949 1193331445 /nfs/dbraw/zinc/33/14/45/1193331445.db2.gz DCJZDXASSANMRF-UHFFFAOYSA-N -1 3 301.394 3.474 20 30 DGEDHM CCCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001609208949 1193331448 /nfs/dbraw/zinc/33/14/48/1193331448.db2.gz DCJZDXASSANMRF-UHFFFAOYSA-N -1 3 301.394 3.474 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001609251676 1193332667 /nfs/dbraw/zinc/33/26/67/1193332667.db2.gz HGYLFXLOYWEECH-QXMHVHEDSA-N -1 3 304.353 3.325 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001609251676 1193332670 /nfs/dbraw/zinc/33/26/70/1193332670.db2.gz HGYLFXLOYWEECH-QXMHVHEDSA-N -1 3 304.353 3.325 20 30 DGEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609397888 1193336315 /nfs/dbraw/zinc/33/63/15/1193336315.db2.gz FASILXWLCAVIJC-BAQGIRSFSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609397888 1193336318 /nfs/dbraw/zinc/33/63/18/1193336318.db2.gz FASILXWLCAVIJC-BAQGIRSFSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)oc1C ZINC001609399786 1193336345 /nfs/dbraw/zinc/33/63/45/1193336345.db2.gz ODVVRCSWDWBRRE-FNORWQNLSA-N -1 3 308.341 3.281 20 30 DGEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)oc1C ZINC001609399786 1193336346 /nfs/dbraw/zinc/33/63/46/1193336346.db2.gz ODVVRCSWDWBRRE-FNORWQNLSA-N -1 3 308.341 3.281 20 30 DGEDHM Cc1ccc(CC[C@@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)o1 ZINC001609422893 1193337600 /nfs/dbraw/zinc/33/76/00/1193337600.db2.gz FKPPCRVZBSMFOQ-LLVKDONJSA-N -1 3 322.372 3.073 20 30 DGEDHM Cc1ccc(CC[C@@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)o1 ZINC001609422893 1193337603 /nfs/dbraw/zinc/33/76/03/1193337603.db2.gz FKPPCRVZBSMFOQ-LLVKDONJSA-N -1 3 322.372 3.073 20 30 DGEDHM Clc1cc(-c2nnn[n-]2)ccc1CON=Cc1cccs1 ZINC001609472118 1193340738 /nfs/dbraw/zinc/34/07/38/1193340738.db2.gz OCFJDZGQNWWIDW-UHFFFAOYSA-N -1 3 319.777 3.132 20 30 DGEDHM Clc1cc(-c2nn[n-]n2)ccc1CON=Cc1cccs1 ZINC001609472118 1193340739 /nfs/dbraw/zinc/34/07/39/1193340739.db2.gz OCFJDZGQNWWIDW-UHFFFAOYSA-N -1 3 319.777 3.132 20 30 DGEDHM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001609517751 1193343835 /nfs/dbraw/zinc/34/38/35/1193343835.db2.gz LWNDPAPYQNIVPB-VMPITWQZSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001609517751 1193343837 /nfs/dbraw/zinc/34/38/37/1193343837.db2.gz LWNDPAPYQNIVPB-VMPITWQZSA-N -1 3 312.279 3.041 20 30 DGEDHM CCN(Cc1cccc(C(=O)[O-])c1C#N)[C@H]1CCOC(C)(C)C1 ZINC001610003197 1193371928 /nfs/dbraw/zinc/37/19/28/1193371928.db2.gz VQELCMIFOXJCJN-AWEZNQCLSA-N -1 3 316.401 3.036 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(C)c1 ZINC000071140164 1195931778 /nfs/dbraw/zinc/93/17/78/1195931778.db2.gz BLZMSIZQFGKKJR-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM Cc1ccc2[n-]cc(C(=O)Nc3cccc(CC#N)c3)c(=O)c2c1 ZINC001611330875 1193430662 /nfs/dbraw/zinc/43/06/62/1193430662.db2.gz PJEGBIAZGPSZPY-UHFFFAOYSA-N -1 3 317.348 3.155 20 30 DGEDHM COc1ccccc1CC(=O)N([O-])Cc1ccccc1Cl ZINC001611651048 1193439086 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C=CCC1(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)CCC1 ZINC001557150358 1189044357 /nfs/dbraw/zinc/04/43/57/1189044357.db2.gz ZEDGYWJHHCRTFU-UHFFFAOYSA-N -1 3 305.378 3.050 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)CCC1 ZINC001557150358 1189044359 /nfs/dbraw/zinc/04/43/59/1189044359.db2.gz ZEDGYWJHHCRTFU-UHFFFAOYSA-N -1 3 305.378 3.050 20 30 DGEDHM C=CCC1(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CCC1 ZINC001558728676 1189145147 /nfs/dbraw/zinc/14/51/47/1189145147.db2.gz LAORBAYSKJONEQ-HDJSIYSDSA-N -1 3 315.417 3.071 20 30 DGEDHM O=C(c1cnc2[nH]ccc2c1)N([O-])Cc1ccccc1Cl ZINC001559033712 1189163584 /nfs/dbraw/zinc/16/35/84/1189163584.db2.gz UGEKSGLNJQAKRG-UHFFFAOYSA-N -1 3 301.733 3.200 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC001559034679 1189163886 /nfs/dbraw/zinc/16/38/86/1189163886.db2.gz LFTNSBNKQWPZQC-AWEZNQCLSA-N -1 3 312.454 3.260 20 30 DGEDHM O=C(Cc1ccc2cnccc2c1)N([O-])Cc1ccc(F)cc1 ZINC001559037173 1189164759 /nfs/dbraw/zinc/16/47/59/1189164759.db2.gz MBKWBICZFKFUNE-UHFFFAOYSA-N -1 3 310.328 3.334 20 30 DGEDHM O=C(c1cncc(Cl)n1)N([O-])Cc1cccc2ccccc21 ZINC001559036303 1189164828 /nfs/dbraw/zinc/16/48/28/1189164828.db2.gz CCAOSXGFLCTTFJ-UHFFFAOYSA-N -1 3 313.744 3.315 20 30 DGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(O)c2[O-])cc1 ZINC001565625479 1189659290 /nfs/dbraw/zinc/65/92/90/1189659290.db2.gz PWTQUJMMPRLNKY-OAHLLOKOSA-N -1 3 324.380 3.390 20 30 DGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1n[nH]cc1F ZINC001565689349 1189664129 /nfs/dbraw/zinc/66/41/29/1189664129.db2.gz ZIWGZYRBKZGPBA-VIFPVBQESA-N -1 3 304.350 3.053 20 30 DGEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC001565817696 1189674265 /nfs/dbraw/zinc/67/42/65/1189674265.db2.gz XQJLZQRYDFSAAR-UHFFFAOYSA-N -1 3 324.552 3.410 20 30 DGEDHM CC(C)c1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC001622042218 1193881545 /nfs/dbraw/zinc/88/15/45/1193881545.db2.gz FNJQTEYFWAZEMX-UHFFFAOYSA-N -1 3 320.439 3.222 20 30 DGEDHM C=CCOc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001622954515 1193916614 /nfs/dbraw/zinc/91/66/14/1193916614.db2.gz KYIOTGRCNWBICO-UHFFFAOYSA-N -1 3 316.332 3.418 20 30 DGEDHM C=CC[C@H](CC)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001626330269 1194072595 /nfs/dbraw/zinc/07/25/95/1194072595.db2.gz GQDISUOGJCRHMD-JTQLQIEISA-N -1 3 304.777 3.266 20 30 DGEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc2sccc2c([O-])c1 ZINC001626364787 1194073988 /nfs/dbraw/zinc/07/39/88/1194073988.db2.gz ZEJRHFDIYQEXHT-BZNIZROVSA-N -1 3 317.410 3.318 20 30 DGEDHM C=C(C)CO[N-]C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001628314787 1194172359 /nfs/dbraw/zinc/17/23/59/1194172359.db2.gz ZKLABXCDMAYELK-UHFFFAOYSA-N -1 3 323.107 3.278 20 30 DGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001629243093 1194222181 /nfs/dbraw/zinc/22/21/81/1194222181.db2.gz XOSBZOPSDVBYEM-CZUORRHYSA-N -1 3 301.386 3.460 20 30 DGEDHM N#Cc1cccc([C@@H](NC(=O)c2ccccc2[O-])C(F)(F)F)c1 ZINC001632876401 1194410017 /nfs/dbraw/zinc/41/00/17/1194410017.db2.gz JAECDYBEQCOMPF-CQSZACIVSA-N -1 3 320.270 3.297 20 30 DGEDHM N#Cc1cccc(C(=O)Nc2cc([O-])cc(Br)c2)c1 ZINC001635431808 1194552169 /nfs/dbraw/zinc/55/21/69/1194552169.db2.gz VYKJBBUOUCLHNW-UHFFFAOYSA-N -1 3 317.142 3.279 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)CCc2ccc3ccccc3n2)c1 ZINC001635506131 1194555592 /nfs/dbraw/zinc/55/55/92/1194555592.db2.gz AUFIZAODARCLRR-UHFFFAOYSA-N -1 3 317.348 3.149 20 30 DGEDHM CC(=O)c1cccc(NC(=O)[C@H](CC#N)c2ccccc2)c1[O-] ZINC001636953741 1194642308 /nfs/dbraw/zinc/64/23/08/1194642308.db2.gz XFDIAKDZQJWZCN-OAHLLOKOSA-N -1 3 308.337 3.231 20 30 DGEDHM CCCCCCN([O-])C(=O)CCN(C)C(=O)OC(C)(C)C ZINC001639067264 1194748526 /nfs/dbraw/zinc/74/85/26/1194748526.db2.gz QZPRCYAJTWTISQ-UHFFFAOYSA-N -1 3 302.415 3.042 20 30 DGEDHM O=C(c1ncc2ccccn21)N([O-])Cc1ccccc1Cl ZINC001639058664 1194749036 /nfs/dbraw/zinc/74/90/36/1194749036.db2.gz PPZCYYDMMKLTPY-UHFFFAOYSA-N -1 3 301.733 3.019 20 30 DGEDHM CCCCCCN([O-])C(=O)CSc1nc2ccccc2[nH]1 ZINC001639067040 1194749545 /nfs/dbraw/zinc/74/95/45/1194749545.db2.gz IJIIJMZBFQDRAN-UHFFFAOYSA-N -1 3 307.419 3.453 20 30 DGEDHM CC(C)(C)Oc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC001639078378 1194749747 /nfs/dbraw/zinc/74/97/47/1194749747.db2.gz IOZYGTUOXJCJGY-UHFFFAOYSA-N -1 3 318.348 3.430 20 30 DGEDHM C=CCCCCNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001639243497 1194757106 /nfs/dbraw/zinc/75/71/06/1194757106.db2.gz OIPLWZPVOUTZMG-UHFFFAOYSA-N -1 3 304.777 3.268 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC001639694848 1194777853 /nfs/dbraw/zinc/77/78/53/1194777853.db2.gz OAMBZDAVUPADNA-UHFFFAOYSA-N -1 3 304.173 3.386 20 30 DGEDHM C#CCOCCSc1nnc([N-]c2ccccc2F)s1 ZINC001640633142 1194822922 /nfs/dbraw/zinc/82/29/22/1194822922.db2.gz SMYWYKZTORXDJT-UHFFFAOYSA-N -1 3 309.391 3.163 20 30 DGEDHM Cc1ccc(C)c(C(=O)CCC(=O)[N-]Oc2cccc(C#N)c2)c1 ZINC001642625772 1194923422 /nfs/dbraw/zinc/92/34/22/1194923422.db2.gz XXIQOFBTKVWHEO-UHFFFAOYSA-N -1 3 322.364 3.248 20 30 DGEDHM COc1cccc([C@@H](C)CC(=O)[N-]Oc2cccc(C#N)c2)c1 ZINC001643518169 1195031621 /nfs/dbraw/zinc/03/16/21/1195031621.db2.gz WJUAQTOIQXYGBA-ZDUSSCGKSA-N -1 3 310.353 3.171 20 30 DGEDHM COc1ccc([O-])c(C(=O)Nc2ccc(C3CC3)c(C#N)c2)c1 ZINC001643576416 1195036798 /nfs/dbraw/zinc/03/67/98/1195036798.db2.gz ORMFSAXLXKSIFF-UHFFFAOYSA-N -1 3 308.337 3.402 20 30 DGEDHM O=C(c1cccc2c1OCC2)N([O-])Cc1ccccc1Cl ZINC001654814461 1195842491 /nfs/dbraw/zinc/84/24/91/1195842491.db2.gz VNBFAFPBDRKEFH-UHFFFAOYSA-N -1 3 303.745 3.307 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC001654819628 1195844077 /nfs/dbraw/zinc/84/40/77/1195844077.db2.gz KRGBEJUBQPQHAE-CABCVRRESA-N -1 3 319.401 3.359 20 30 DGEDHM COCc1cc(C(=O)N([O-])Cc2cccc3ccccc32)no1 ZINC001654825953 1195845470 /nfs/dbraw/zinc/84/54/70/1195845470.db2.gz IPVIYETXJAURAX-UHFFFAOYSA-N -1 3 312.325 3.006 20 30 DGEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)n1cnc2ccccc21 ZINC001654825753 1195845552 /nfs/dbraw/zinc/84/55/52/1195845552.db2.gz FFHRESHSTCHVTG-LBPRGKRZSA-N -1 3 313.332 3.154 20 30 DGEDHM C#Cc1cccc(N(CC)Cc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC001573290287 946903104 /nfs/dbraw/zinc/90/31/04/946903104.db2.gz IWNXSMAZRBCQNZ-UHFFFAOYSA-N -1 3 321.359 3.014 20 30 DGEDHM C#Cc1cccc(N(CC)Cc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC001573290287 946903109 /nfs/dbraw/zinc/90/31/09/946903109.db2.gz IWNXSMAZRBCQNZ-UHFFFAOYSA-N -1 3 321.359 3.014 20 30 DGEDHM C=C(C)CNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001573293671 946965459 /nfs/dbraw/zinc/96/54/59/946965459.db2.gz FUNWEFSWPVNLIK-UHFFFAOYSA-N -1 3 300.753 3.056 20 30 DGEDHM C=C(C)CNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001573293671 946965464 /nfs/dbraw/zinc/96/54/64/946965464.db2.gz FUNWEFSWPVNLIK-UHFFFAOYSA-N -1 3 300.753 3.056 20 30 DGEDHM C=C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001573314557 947234133 /nfs/dbraw/zinc/23/41/33/947234133.db2.gz CWLUYJQKRGQNEP-OAHLLOKOSA-N -1 3 324.315 3.090 20 30 DGEDHM C=C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001573314557 947234145 /nfs/dbraw/zinc/23/41/45/947234145.db2.gz CWLUYJQKRGQNEP-OAHLLOKOSA-N -1 3 324.315 3.090 20 30 DGEDHM C=CCC1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC001573329388 947419084 /nfs/dbraw/zinc/41/90/84/947419084.db2.gz ITSWBXUYZHYHGU-UHFFFAOYSA-N -1 3 318.812 3.464 20 30 DGEDHM C=CCC1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC001573329388 947419087 /nfs/dbraw/zinc/41/90/87/947419087.db2.gz ITSWBXUYZHYHGU-UHFFFAOYSA-N -1 3 318.812 3.464 20 30 DGEDHM CC(C)(C)[C@@H](C(=O)[O-])C(=O)C(C#N)c1nc2ccccc2s1 ZINC001588630819 959605493 /nfs/dbraw/zinc/60/54/93/959605493.db2.gz HWHPVJYLQUCBSZ-JOYOIKCWSA-N -1 3 316.382 3.219 20 30 DGEDHM N#CC(C(=O)C1(CC(=O)[O-])CCC1)c1ccc2ccccc2n1 ZINC001605575819 973840425 /nfs/dbraw/zinc/84/04/25/973840425.db2.gz CJJHOOHVRBCAGE-CYBMUJFWSA-N -1 3 308.337 3.056 20 30 DGEDHM C#CC[C@@H]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001588434291 983469605 /nfs/dbraw/zinc/46/96/05/983469605.db2.gz IUZXNKPHKXOIQR-YGRLFVJLSA-N -1 3 312.196 3.464 20 30 DGEDHM C=C(C)CCN1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588559182 983639865 /nfs/dbraw/zinc/63/98/65/983639865.db2.gz JXDXHZSDNJNCJV-MRXNPFEDSA-N -1 3 322.836 3.050 20 30 DGEDHM C=C(CNCc1ccccc1O[C@@H](C)C(=O)[O-])c1ccccc1 ZINC001588636956 983757622 /nfs/dbraw/zinc/75/76/22/983757622.db2.gz AESJLFCFIRPPIF-HNNXBMFYSA-N -1 3 311.381 3.342 20 30 DGEDHM CCN(CCc1cccs1)Cc1cccc(C(=O)[O-])c1C#N ZINC001596353035 983814267 /nfs/dbraw/zinc/81/42/67/983814267.db2.gz YCOLDFWHZBFEIT-UHFFFAOYSA-N -1 3 314.410 3.383 20 30 DGEDHM CCN(Cc1ccc(C(=O)[O-])n1C)[C@H](C)c1ccc(C#N)cc1 ZINC001596358004 983832032 /nfs/dbraw/zinc/83/20/32/983832032.db2.gz YLCKEKSFENWSGV-CYBMUJFWSA-N -1 3 311.385 3.178 20 30 DGEDHM C=C[C@@H]1OCC[C@H]1N[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC001588920388 984577714 /nfs/dbraw/zinc/57/77/14/984577714.db2.gz YHBWVNAGFZXZFI-AGIUHOORSA-N -1 3 316.184 3.052 20 30 DGEDHM CC(C)Cc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001591483584 992603903 /nfs/dbraw/zinc/60/39/03/992603903.db2.gz KOEZMDUAPVFWHL-UHFFFAOYSA-N -1 3 300.402 3.075 20 30 DGEDHM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccc(C#N)c(F)c1 ZINC001593304827 994755311 /nfs/dbraw/zinc/75/53/11/994755311.db2.gz RFXWQGBAKBDHKQ-GFCCVEGCSA-N -1 3 312.344 3.175 20 30 DGEDHM C=C(Cl)C[C@H](NCc1ccc(Cl)cc1[O-])C(=O)OCC ZINC001207129075 1082100185 /nfs/dbraw/zinc/10/01/85/1082100185.db2.gz KOHZVTYNAADBGV-LBPRGKRZSA-N -1 3 318.200 3.210 20 30 DGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)s1 ZINC001130051768 1082520333 /nfs/dbraw/zinc/52/03/33/1082520333.db2.gz RLHUCMDDWSFSLY-UHFFFAOYSA-N -1 3 310.300 3.167 20 30 DGEDHM CC(=O)c1cccc([O-])c1NC(=O)CC1(C#N)CCCCC1 ZINC001181363518 1083455649 /nfs/dbraw/zinc/45/56/49/1083455649.db2.gz WDXFFSMFUCUYSY-UHFFFAOYSA-N -1 3 300.358 3.397 20 30 DGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)cc1F ZINC001182890951 1083831043 /nfs/dbraw/zinc/83/10/43/1083831043.db2.gz LQOZGIFTTTUTJK-UHFFFAOYSA-N -1 3 322.261 3.245 20 30 DGEDHM N#Cc1cc(Nc2cccc([O-])c2Br)ccc1N ZINC001213445666 1083960320 /nfs/dbraw/zinc/96/03/20/1083960320.db2.gz KFMDTEDPHOSXOU-UHFFFAOYSA-N -1 3 304.147 3.352 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC001184305617 1084143983 /nfs/dbraw/zinc/14/39/83/1084143983.db2.gz NWUWYGLVYNTTRX-CHWSQXEVSA-N -1 3 316.442 3.334 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@]1(C)Cc2ccc(C)cc2C(=O)O1 ZINC001184314624 1084147419 /nfs/dbraw/zinc/14/74/19/1084147419.db2.gz CMEVNWIXDIYFBX-GOSISDBHSA-N -1 3 319.401 3.265 20 30 DGEDHM COC(=O)c1c(Cl)cccc1Nc1cc(C#N)ccc1[O-] ZINC001250148171 1084170231 /nfs/dbraw/zinc/17/02/31/1084170231.db2.gz JVUHCRVMAWAKQF-UHFFFAOYSA-N -1 3 302.717 3.447 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1Cl ZINC001185525304 1084464346 /nfs/dbraw/zinc/46/43/46/1084464346.db2.gz WOMHSBMQYZWBRT-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM N#C[C@H](Oc1ncc(Br)cc1[O-])c1cccc(F)c1 ZINC001228957379 1087021852 /nfs/dbraw/zinc/02/18/52/1087021852.db2.gz VHSHIQYKLHGARS-LBPRGKRZSA-N -1 3 323.121 3.332 20 30 DGEDHM CCC1=C(Oc2cccc([O-])c2Br)C(=O)[C@H](C)O1 ZINC001229139955 1087072166 /nfs/dbraw/zinc/07/21/66/1087072166.db2.gz PDSPHGRLHNHIKM-ZETCQYMHSA-N -1 3 313.147 3.143 20 30 DGEDHM CC(=O)c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1[O-] ZINC001151671931 1087753835 /nfs/dbraw/zinc/75/38/35/1087753835.db2.gz VPZWAAHIRAJOED-KRWDZBQOSA-N -1 3 322.364 3.370 20 30 DGEDHM Cn1c(C(=O)Nc2ccc([O-])c(C#N)c2)cc2ccc(F)cc21 ZINC001153848706 1088384520 /nfs/dbraw/zinc/38/45/20/1088384520.db2.gz LUDJSVPDOJEVPV-UHFFFAOYSA-N -1 3 309.300 3.147 20 30 DGEDHM C[C@H](C#N)c1ccc(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC001154209341 1088514681 /nfs/dbraw/zinc/51/46/81/1088514681.db2.gz ZZHHZURAIFXQJS-SNVBAGLBSA-N -1 3 306.325 3.148 20 30 DGEDHM Cc1ccc2ncc([O-])c(C(=O)N[C@H]3CC[C@H](C#N)CC3)c2c1 ZINC001154533852 1088644570 /nfs/dbraw/zinc/64/45/70/1088644570.db2.gz RJBKRWRMZIUQIL-JOCQHMNTSA-N -1 3 309.369 3.061 20 30 DGEDHM Cc1ccc2nc([N-]c3nccnc3CN)c(C#N)c(Cl)c2c1 ZINC001160252015 1088724846 /nfs/dbraw/zinc/72/48/46/1088724846.db2.gz QYDSXACHUIXWPK-UHFFFAOYSA-N -1 3 324.775 3.061 20 30 DGEDHM COc1ccc2cc(C(=O)Nc3ccc([O-])c(C#N)c3)cnc2c1 ZINC001155150681 1088978564 /nfs/dbraw/zinc/97/85/64/1088978564.db2.gz COOIBMKZVKFKPV-UHFFFAOYSA-N -1 3 319.320 3.073 20 30 DGEDHM O=C(c1n[nH]c2ccccc21)N([O-])Cc1ccccc1Cl ZINC001161802376 1089409972 /nfs/dbraw/zinc/40/99/72/1089409972.db2.gz UIWPBMNLBDBVFO-UHFFFAOYSA-N -1 3 301.733 3.248 20 30 DGEDHM CC(C)(C)c1cc(C(=O)N([O-])Cc2ccccc2Cl)n[nH]1 ZINC001161807089 1089415436 /nfs/dbraw/zinc/41/54/36/1089415436.db2.gz BSGIGPGKQYEXAL-UHFFFAOYSA-N -1 3 307.781 3.392 20 30 DGEDHM N#CC1(c2ccc(C(=O)NCc3c([O-])cccc3F)cc2)CC1 ZINC001156170025 1089416560 /nfs/dbraw/zinc/41/65/60/1089416560.db2.gz CBDDTLWSMPQAJL-UHFFFAOYSA-N -1 3 310.328 3.016 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccc(CCC)cc2)C1 ZINC001161826892 1089426343 /nfs/dbraw/zinc/42/63/43/1089426343.db2.gz OILBCHBHVNAXDR-OAHLLOKOSA-N -1 3 318.417 3.010 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@H](C)Oc1cccc(C(C)=O)c1 ZINC001161827118 1089426460 /nfs/dbraw/zinc/42/64/60/1089426460.db2.gz UZEFKWMRUSLEIP-AWEZNQCLSA-N -1 3 307.390 3.455 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C ZINC001161832509 1089430420 /nfs/dbraw/zinc/43/04/20/1089430420.db2.gz OVEMGWYCYHPQIE-GFCCVEGCSA-N -1 3 302.415 3.040 20 30 DGEDHM CCCCN([O-])C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC001161832711 1089431743 /nfs/dbraw/zinc/43/17/43/1089431743.db2.gz RXEFXSDMDDIPMA-UHFFFAOYSA-N -1 3 320.370 3.170 20 30 DGEDHM CCN(CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001161842442 1089435429 /nfs/dbraw/zinc/43/54/29/1089435429.db2.gz DYXGNQWOUXFBFI-UHFFFAOYSA-N -1 3 302.349 3.070 20 30 DGEDHM N#Cc1ccc2c(c1)[nH]nc2C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001156882457 1089730427 /nfs/dbraw/zinc/73/04/27/1089730427.db2.gz AFMUPXURYAYARD-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM C#Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)c(Cl)c1 ZINC001157893286 1090145796 /nfs/dbraw/zinc/14/57/96/1090145796.db2.gz FMGGOWPWQLBYKG-UHFFFAOYSA-N -1 3 303.720 3.347 20 30 DGEDHM CCCCN([O-])C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001649061619 1090585167 /nfs/dbraw/zinc/58/51/67/1090585167.db2.gz SRSUVXLCPQQCPR-UHFFFAOYSA-N -1 3 306.240 3.245 20 30 DGEDHM N#Cc1c[nH]c2nc(-c3ccc([O-])cc3C(F)(F)F)ncc12 ZINC001205073663 1091095400 /nfs/dbraw/zinc/09/54/00/1091095400.db2.gz XLEPFCRNQKFPJD-UHFFFAOYSA-N -1 3 304.231 3.221 20 30 DGEDHM C#C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1F ZINC001140477981 1091879929 /nfs/dbraw/zinc/87/99/29/1091879929.db2.gz KQHLWZNTJGHXEZ-CQSZACIVSA-N -1 3 303.720 3.289 20 30 DGEDHM Cc1nc2ccccc2c(C(=O)Nc2ccc(O)c(C#N)c2)c1[O-] ZINC001149198436 1092668134 /nfs/dbraw/zinc/66/81/34/1092668134.db2.gz UBTNAODOOINKHL-UHFFFAOYSA-N -1 3 319.320 3.078 20 30 DGEDHM Cc1nc2ccccc2c(C(=O)Nc2ccc([O-])c(C#N)c2)c1O ZINC001149198436 1092668138 /nfs/dbraw/zinc/66/81/38/1092668138.db2.gz UBTNAODOOINKHL-UHFFFAOYSA-N -1 3 319.320 3.078 20 30 DGEDHM COC(=O)c1ccc(Nc2ccc([O-])c(C#N)c2)c(F)c1F ZINC001210535059 1093200542 /nfs/dbraw/zinc/20/05/42/1093200542.db2.gz XLVABLORPVINTJ-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM Cc1ccc(Cl)cc1C/N=C/c1c([O-])c(C)ncc1CO ZINC001120772806 1094520753 /nfs/dbraw/zinc/52/07/53/1094520753.db2.gz OGKYFFGNGHQPJW-QGMBQPNBSA-N -1 3 304.777 3.169 20 30 DGEDHM N#Cc1cc(NC(=O)c2c(N)sc3c2CCCC3)ccc1[O-] ZINC001218954466 1094914567 /nfs/dbraw/zinc/91/45/67/1094914567.db2.gz MWERTVREXQTJIQ-UHFFFAOYSA-N -1 3 313.382 3.039 20 30 DGEDHM CCOc1ncc(C([O-])=C(C#N)c2cccc(F)n2)cc1Cl ZINC001122713649 1095042482 /nfs/dbraw/zinc/04/24/82/1095042482.db2.gz CDSLELGJRXBVKG-SNVBAGLBSA-N -1 3 319.723 3.158 20 30 DGEDHM N#CC(=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(F)n1 ZINC001122715125 1095044770 /nfs/dbraw/zinc/04/47/70/1095044770.db2.gz XOEFKSAJCPZMOG-NSHDSACASA-N -1 3 319.679 3.272 20 30 DGEDHM C=CCCCCCCCCC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001144798513 1095823180 /nfs/dbraw/zinc/82/31/80/1095823180.db2.gz SZEVVSASWKPKIK-UHFFFAOYSA-N -1 3 307.438 3.389 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CC[C@@H](OCc3ccccc3)C2)[n-]1 ZINC001225469041 1096440091 /nfs/dbraw/zinc/44/00/91/1096440091.db2.gz XITADHYEIWCJSQ-HZPDHXFCSA-N -1 3 324.380 3.484 20 30 DGEDHM C[C@@H]1C[C@@H](Oc2cccc(/C=N/[O-])c2)CN1C(=O)OC(C)(C)C ZINC001226110897 1096614376 /nfs/dbraw/zinc/61/43/76/1096614376.db2.gz YJUCWARCIGNLEK-CPXUFUTESA-N -1 3 320.389 3.271 20 30 DGEDHM Cc1ccc(N2CCC(Oc3cccc(/C=N/[O-])c3)CC2)nc1 ZINC001226116814 1096616918 /nfs/dbraw/zinc/61/69/18/1096616918.db2.gz UYSHXHSMLCRCLI-DEDYPNTBSA-N -1 3 311.385 3.246 20 30 DGEDHM N#C[C@H](Oc1[n-]c(=O)nc2ccc(F)cc21)c1ccccc1F ZINC001226407019 1096681736 /nfs/dbraw/zinc/68/17/36/1096681736.db2.gz JLWMXOZSZKSPMG-AWEZNQCLSA-N -1 3 313.263 3.257 20 30 DGEDHM O=c1cc(O[C@H](C#Cc2ccccc2)c2ccccc2)nc[n-]1 ZINC001226948641 1096825547 /nfs/dbraw/zinc/82/55/47/1096825547.db2.gz GYONQUOFQNNYDF-QGZVFWFLSA-N -1 3 302.333 3.354 20 30 DGEDHM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCN(C(C)C)C1 ZINC001227120917 1096873215 /nfs/dbraw/zinc/87/32/15/1096873215.db2.gz WRJXHOSSCIUNNG-CQSZACIVSA-N -1 3 303.402 3.185 20 30 DGEDHM N#Cc1ccc(OCCNc2[n-]c(=O)c(Cl)cc2Cl)cc1 ZINC001171481205 1096908548 /nfs/dbraw/zinc/90/85/48/1096908548.db2.gz QPVRYSHEESWRNW-UHFFFAOYSA-N -1 3 324.167 3.457 20 30 DGEDHM CC(C)C1(C(C)C)OC[C@@H](CCOc2cc(C#N)ccc2[O-])O1 ZINC001227348611 1096918923 /nfs/dbraw/zinc/91/89/23/1096918923.db2.gz AGQZOAYMHNCSJP-OAHLLOKOSA-N -1 3 319.401 3.456 20 30 DGEDHM CCCCOC[C@H](C)OC[C@@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227349163 1096919644 /nfs/dbraw/zinc/91/96/44/1096919644.db2.gz FPEUMLKNVYRAAH-UONOGXRCSA-N -1 3 307.390 3.253 20 30 DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])O1 ZINC001228685071 1097166878 /nfs/dbraw/zinc/16/68/78/1097166878.db2.gz DGQZWPVVJDHTJV-MLGOLLRUSA-N -1 3 322.361 3.285 20 30 DGEDHM O=C1C=C[C@@H](Oc2nc(=S)[n-]c3sc4c(c32)CCCC4)C1 ZINC001229287661 1097289239 /nfs/dbraw/zinc/28/92/39/1097289239.db2.gz KLLLUSLJMUTWLQ-SECBINFHSA-N -1 3 318.423 3.135 20 30 DGEDHM Cc1cccc2c(O[C@@H](C#N)c3cccc(F)c3)[n-]c(=O)nc12 ZINC001229408646 1097315727 /nfs/dbraw/zinc/31/57/27/1097315727.db2.gz XJFXUPCOTNDSEK-AWEZNQCLSA-N -1 3 309.300 3.427 20 30 DGEDHM CCN(CC)C(=O)c1cccc(Nc2cc(C#N)ccc2[O-])c1 ZINC001174167309 1097630955 /nfs/dbraw/zinc/63/09/55/1097630955.db2.gz GRJUQBRXYBPWQP-UHFFFAOYSA-N -1 3 309.369 3.489 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001231072831 1097661653 /nfs/dbraw/zinc/66/16/53/1097661653.db2.gz HBZSRLSAXUHXDW-YOEHRIQHSA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)O1 ZINC001231072829 1097662136 /nfs/dbraw/zinc/66/21/36/1097662136.db2.gz HBZSRLSAXUHXDW-WMLDXEAASA-N -1 3 314.389 3.148 20 30 DGEDHM C=C[C@H](Oc1ccccc1Oc1ccccc1[O-])C(=O)OC ZINC001231222737 1097696684 /nfs/dbraw/zinc/69/66/84/1097696684.db2.gz JGMYIFWHFSWMGH-ZDUSSCGKSA-N -1 3 300.310 3.291 20 30 DGEDHM CCO[C@H](C)n1cc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001174697241 1097828746 /nfs/dbraw/zinc/82/87/46/1097828746.db2.gz WPEYPSFJDRYPMW-SNVBAGLBSA-N -1 3 303.366 3.339 20 30 DGEDHM N#Cc1ccc2c(c1)CCN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232260412 1097984905 /nfs/dbraw/zinc/98/49/05/1097984905.db2.gz PTKMTDPTLKPKDG-UHFFFAOYSA-N -1 3 314.772 3.181 20 30 DGEDHM C#C[C@@H]1CCC[C@@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233506788 1098355921 /nfs/dbraw/zinc/35/59/21/1098355921.db2.gz RLCBJEYYBYSHJP-OQPBUACISA-N -1 3 305.721 3.305 20 30 DGEDHM N#CC=C([O-])c1ccccc1OC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001233525304 1098364005 /nfs/dbraw/zinc/36/40/05/1098364005.db2.gz UJPZEQIKOHHVTQ-KSSFIOAISA-N -1 3 315.369 3.238 20 30 DGEDHM N#CC=C([O-])c1ccccc1OC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001233525302 1098364553 /nfs/dbraw/zinc/36/45/53/1098364553.db2.gz UJPZEQIKOHHVTQ-KBXCAEBGSA-N -1 3 315.369 3.238 20 30 DGEDHM COC(=O)C[C@H]1CCC[C@H](Oc2ccc(/C=N/[O-])cc2OC)C1 ZINC001233802061 1098434229 /nfs/dbraw/zinc/43/42/29/1098434229.db2.gz GINWPIFRLLDVOB-GXQGCUQHSA-N -1 3 321.373 3.004 20 30 DGEDHM CCN(CC)C(=O)[C@@H](Oc1cc([O-])cc(C#N)c1)c1ccccc1 ZINC001234143952 1098503602 /nfs/dbraw/zinc/50/36/02/1098503602.db2.gz HXEZYFSFOKUNJI-SFHVURJKSA-N -1 3 324.380 3.252 20 30 DGEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@H]3CCc4cc(F)ccc43)c12 ZINC001234514499 1098574818 /nfs/dbraw/zinc/57/48/18/1098574818.db2.gz WZWPYRWQIGQKHM-HNNXBMFYSA-N -1 3 321.311 3.412 20 30 DGEDHM C[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1cccc(F)c1 ZINC001234511113 1098575948 /nfs/dbraw/zinc/57/59/48/1098575948.db2.gz JKQWBVNNZCVQKQ-SNVBAGLBSA-N -1 3 309.300 3.486 20 30 DGEDHM C/C(=N\[O-])c1ccc(-c2ccc(S(C)(=O)=O)c(F)c2)cc1 ZINC001236120965 1099409180 /nfs/dbraw/zinc/40/91/80/1099409180.db2.gz IRHOZXBTPFJFFM-LICLKQGHSA-N -1 3 307.346 3.094 20 30 DGEDHM Cc1coc([N-]C(=O)c2ccc(CN3CCCCC3)o2)c1C#N ZINC001189741456 1100120650 /nfs/dbraw/zinc/12/06/50/1100120650.db2.gz JMIWZZKREPYINF-UHFFFAOYSA-N -1 3 313.357 3.291 20 30 DGEDHM Cc1nc(C#N)c([N-]C(=O)Nc2c(C)noc2-c2ccccc2)o1 ZINC001190337806 1100249437 /nfs/dbraw/zinc/24/94/37/1100249437.db2.gz IBJZWEWXFKODDA-UHFFFAOYSA-N -1 3 323.312 3.462 20 30 DGEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(F)c1 ZINC001190501216 1100280702 /nfs/dbraw/zinc/28/07/02/1100280702.db2.gz 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COc1cc(C#N)nc(-c2cc([O-])cc(OC(F)(F)F)c2)c1 ZINC001242986216 1102455240 /nfs/dbraw/zinc/45/52/40/1102455240.db2.gz LLLLMIRENSYAQB-UHFFFAOYSA-N -1 3 310.231 3.233 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C#N ZINC001201287990 1102536675 /nfs/dbraw/zinc/53/66/75/1102536675.db2.gz ROCRSKYJYLOJFU-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM COc1ccc(-c2nnn[n-]2)cc1-c1cccc(C2(C#N)CC2)c1 ZINC001244075881 1103192438 /nfs/dbraw/zinc/19/24/38/1103192438.db2.gz GFBBCHTYTHXIHS-UHFFFAOYSA-N -1 3 317.352 3.097 20 30 DGEDHM COc1ccc(-c2nn[n-]n2)cc1-c1cccc(C2(C#N)CC2)c1 ZINC001244075881 1103192443 /nfs/dbraw/zinc/19/24/43/1103192443.db2.gz GFBBCHTYTHXIHS-UHFFFAOYSA-N -1 3 317.352 3.097 20 30 DGEDHM CCNC(=O)c1ccc(-c2ccc(/C(C)=N/[O-])cc2)c(F)c1 ZINC001244669958 1103606780 /nfs/dbraw/zinc/60/67/80/1103606780.db2.gz DNZXGVGDNDMKNP-RGVLZGJSSA-N -1 3 300.333 3.441 20 30 DGEDHM C/C(=N\[O-])c1ccc(-c2cccc(C(=O)N(C)C)c2F)cc1 ZINC001244771171 1103684269 /nfs/dbraw/zinc/68/42/69/1103684269.db2.gz UFPUNLWZSSMREA-YBFXNURJSA-N -1 3 300.333 3.393 20 30 DGEDHM COc1ncc(-c2nc3c(cc2C#N)CCCC3(C)C)cc1[O-] ZINC001244843126 1103716254 /nfs/dbraw/zinc/71/62/54/1103716254.db2.gz GNJMCBSNRGIMJA-UHFFFAOYSA-N -1 3 309.369 3.343 20 30 DGEDHM C=C(C)CC[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001475317924 1103911637 /nfs/dbraw/zinc/91/16/37/1103911637.db2.gz LVAVHLVXFMOLBA-UHFFFAOYSA-N -1 3 308.428 3.055 20 30 DGEDHM CC(C)(C)c1cc([O-])c(CN2CCOC[C@H]2C#N)cc1Cl ZINC001248884805 1105186775 /nfs/dbraw/zinc/18/67/75/1105186775.db2.gz CXTRTFFKQZATOA-GFCCVEGCSA-N -1 3 308.809 3.067 20 30 DGEDHM C=CCCCCCC[C@H](O)CNc1cccc(-c2nnn[n-]2)c1 ZINC001253245131 1105910242 /nfs/dbraw/zinc/91/02/42/1105910242.db2.gz ZYJAJMABONSKNT-INIZCTEOSA-N -1 3 315.421 3.166 20 30 DGEDHM C=CCCCCCC[C@H](O)CNc1cccc(-c2nn[n-]n2)c1 ZINC001253245131 1105910249 /nfs/dbraw/zinc/91/02/49/1105910249.db2.gz ZYJAJMABONSKNT-INIZCTEOSA-N -1 3 315.421 3.166 20 30 DGEDHM N#Cc1cc(F)cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC001259240383 1107102548 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Cc1ccc(-c2nnc(NC(=O)Cc3ccc(C)c(O)c3)[n-]2)o1 ZINC000089457468 431867021 /nfs/dbraw/zinc/86/70/21/431867021.db2.gz JJHJEBPULWLPNQ-UHFFFAOYSA-N -1 3 312.329 3.218 20 30 DGEDHM Cc1ccc(-c2n[n-]c(NC(=O)Cc3ccc(C)c(O)c3)n2)o1 ZINC000089457468 431867023 /nfs/dbraw/zinc/86/70/23/431867023.db2.gz JJHJEBPULWLPNQ-UHFFFAOYSA-N -1 3 312.329 3.218 20 30 DGEDHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(C)c(O)c3)n[n-]2)o1 ZINC000089457468 431867025 /nfs/dbraw/zinc/86/70/25/431867025.db2.gz JJHJEBPULWLPNQ-UHFFFAOYSA-N -1 3 312.329 3.218 20 30 DGEDHM CN(C)c1cc(C([O-])=C(C#N)c2ccccn2)c2ccccc2n1 ZINC000123578879 431869346 /nfs/dbraw/zinc/86/93/46/431869346.db2.gz BTNOBNMXDFGGSL-HNNXBMFYSA-N -1 3 316.364 3.186 20 30 DGEDHM N#Cc1ccsc1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000089720855 431876466 /nfs/dbraw/zinc/87/64/66/431876466.db2.gz ANXLSDSXKQHZTE-SECBINFHSA-N -1 3 305.384 3.180 20 30 DGEDHM CCc1cc(=O)[n-]c(CSCc2ccc(C#N)cc2F)n1 ZINC000125579678 431930206 /nfs/dbraw/zinc/93/02/06/431930206.db2.gz CPRZPPSXEJXUEN-UHFFFAOYSA-N -1 3 303.362 3.189 20 30 DGEDHM CCc1cc(=O)[n-]c(CSCc2cc(C#N)ccc2F)n1 ZINC000125626274 431931873 /nfs/dbraw/zinc/93/18/73/431931873.db2.gz HEAFDYWFKYFWRM-UHFFFAOYSA-N -1 3 303.362 3.189 20 30 DGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000048813802 431933267 /nfs/dbraw/zinc/93/32/67/431933267.db2.gz RKBBFURGGUHYBU-ZDUSSCGKSA-N -1 3 320.352 3.235 20 30 DGEDHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2sccc2C#N)n1 ZINC000050103168 431946833 /nfs/dbraw/zinc/94/68/33/431946833.db2.gz HJPULRKDAXLBET-UHFFFAOYSA-N -1 3 306.778 3.439 20 30 DGEDHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443350723 281068385 /nfs/dbraw/zinc/06/83/85/281068385.db2.gz KMSRAHJCOOMMHS-CYBMUJFWSA-N -1 3 312.822 3.069 20 30 DGEDHM C=CCN(CCc1ccccc1)C(=O)/C=C\c1cncc([O-])c1 ZINC000255498305 432411192 /nfs/dbraw/zinc/41/11/92/432411192.db2.gz XMGLKCADSJAOFI-HJWRWDBZSA-N -1 3 308.381 3.058 20 30 DGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCc2cccc([O-])c21 ZINC000272559494 432524661 /nfs/dbraw/zinc/52/46/61/432524661.db2.gz UGGMCPVRMXGLKX-CYBMUJFWSA-N -1 3 322.364 3.011 20 30 DGEDHM C[C@H]1CCN(C(=O)COc2ccccc2C#N)c2c([O-])cccc21 ZINC000186253134 432574000 /nfs/dbraw/zinc/57/40/00/432574000.db2.gz LQCUUITVDKFDNV-ZDUSSCGKSA-N -1 3 322.364 3.183 20 30 DGEDHM CSCCc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000263888900 432588714 /nfs/dbraw/zinc/58/87/14/432588714.db2.gz KWVSSCXEMBTHQV-VXLYETTFSA-N -1 3 316.426 3.244 20 30 DGEDHM CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000218944810 432661245 /nfs/dbraw/zinc/66/12/45/432661245.db2.gz HWBKANAZRSABIY-UHFFFAOYSA-N -1 3 314.838 3.172 20 30 DGEDHM Cc1ccc(C[C@H](C)/N=C/c2c([O-])c(C)ncc2CO)s1 ZINC000265614316 432714602 /nfs/dbraw/zinc/71/46/02/432714602.db2.gz VVVQTNGZTINHOC-JVDJPWEPSA-N -1 3 304.415 3.008 20 30 DGEDHM CSc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000178809844 432779643 /nfs/dbraw/zinc/77/96/43/432779643.db2.gz MSCZRAYSVRZSSC-UHFFFAOYSA-N -1 3 322.386 3.220 20 30 DGEDHM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160833840 432743812 /nfs/dbraw/zinc/74/38/12/432743812.db2.gz WOSDIJIKZLNZRW-CYBMUJFWSA-N -1 3 312.822 3.069 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cccnc1-c1ccc(C)s1 ZINC000189747810 432816411 /nfs/dbraw/zinc/81/64/11/432816411.db2.gz NQQJVRXHZOZYKT-UHFFFAOYSA-N -1 3 308.428 3.436 20 30 DGEDHM CCS[C@H]1CCCC[C@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000267394234 432833872 /nfs/dbraw/zinc/83/38/72/432833872.db2.gz VVNJXVBZWXHSKJ-LLWNARSTSA-N -1 3 308.447 3.071 20 30 DGEDHM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1csc(=O)[n-]1 ZINC000329950094 432884400 /nfs/dbraw/zinc/88/44/00/432884400.db2.gz MDPKGZMHZRNZDU-YPMHNXCESA-N -1 3 304.371 3.074 20 30 DGEDHM C[C@@]1(CNC(=O)c2csc(=O)[n-]2)CCCc2ccccc21 ZINC000329979246 432886098 /nfs/dbraw/zinc/88/60/98/432886098.db2.gz JDRYNBIQTVHGKC-INIZCTEOSA-N -1 3 302.399 3.448 20 30 DGEDHM COc1ccc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1C#N ZINC000277415928 432848081 /nfs/dbraw/zinc/84/80/81/432848081.db2.gz SPETXNCWFUQBCY-UGSOOPFHSA-N -1 3 324.380 3.118 20 30 DGEDHM N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1[O-] ZINC000154662979 292686624 /nfs/dbraw/zinc/68/66/24/292686624.db2.gz XJYHIJQEDKYALE-UHFFFAOYSA-N -1 3 323.352 3.011 20 30 DGEDHM CC(=O)c1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[O-] ZINC000331324997 432937847 /nfs/dbraw/zinc/93/78/47/432937847.db2.gz GAQVIZLWZJAFNV-MRXNPFEDSA-N -1 3 318.417 3.020 20 30 DGEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cnsn3)c(C#N)c2[C@@H]1C ZINC000297892779 433029308 /nfs/dbraw/zinc/02/93/08/433029308.db2.gz QKPCUNNAIVPFON-HTQZYQBOSA-N -1 3 318.427 3.409 20 30 DGEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cnsn3)sc2[C@@H](C)C1 ZINC000297946129 433035528 /nfs/dbraw/zinc/03/55/28/433035528.db2.gz UOCXNWLUMGBVKU-SFYZADRCSA-N -1 3 318.427 3.409 20 30 DGEDHM CN(Cc1cc(C#N)ccc1F)Cc1c(F)ccc([O-])c1F ZINC000350120121 433086462 /nfs/dbraw/zinc/08/64/62/433086462.db2.gz IYBFQKVNEKWCSD-UHFFFAOYSA-N -1 3 306.287 3.313 20 30 DGEDHM Cc1oc(C#N)cc1C(=O)Nc1ccc([O-])c(COC(C)C)c1 ZINC000290630389 433119412 /nfs/dbraw/zinc/11/94/12/433119412.db2.gz PHEZDSKLOONFMG-UHFFFAOYSA-N -1 3 314.341 3.343 20 30 DGEDHM Cc1cccc([O-])c1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447550849 433222091 /nfs/dbraw/zinc/22/20/91/433222091.db2.gz OKZWVEJIVUAAKL-UHFFFAOYSA-N -1 3 319.320 3.480 20 30 DGEDHM C#CCO[N-]C(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000291265661 433230499 /nfs/dbraw/zinc/23/04/99/433230499.db2.gz NIZMZNKTZZHAOO-OALUTQOASA-N -1 3 321.376 3.050 20 30 DGEDHM C[C@H](c1cccc(C#N)c1)N(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000425530360 433285397 /nfs/dbraw/zinc/28/53/97/433285397.db2.gz DZPRVYAJMDBCGC-GFCCVEGCSA-N -1 3 308.385 3.124 20 30 DGEDHM CCOc1cccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000299330573 433362216 /nfs/dbraw/zinc/36/22/16/433362216.db2.gz IQDUDMUKWBAWGS-QDBSGRMGSA-N -1 3 314.385 3.167 20 30 DGEDHM C=CCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000447941127 433330788 /nfs/dbraw/zinc/33/07/88/433330788.db2.gz DLNWZPFDNAZXPT-UHFFFAOYSA-N -1 3 311.300 3.089 20 30 DGEDHM N#CC(=C([O-])c1ccc(COC(F)(F)F)cc1)c1ccncn1 ZINC000361792498 433390328 /nfs/dbraw/zinc/39/03/28/433390328.db2.gz NELJRFMIQUKVIT-GFCCVEGCSA-N -1 3 321.258 3.003 20 30 DGEDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443091831 290405839 /nfs/dbraw/zinc/40/58/39/290405839.db2.gz VGJKGGCNXRKJDD-GWCFXTLKSA-N -1 3 312.822 3.069 20 30 DGEDHM C=CC[C@H](NCc1ccc(-c2ccccc2)cc1OC)C(=O)[O-] ZINC000426799107 433603410 /nfs/dbraw/zinc/60/34/10/433603410.db2.gz KATJYZYVYFMKHJ-KRWDZBQOSA-N -1 3 311.381 3.481 20 30 DGEDHM C=CC[C@@H](NCc1ccc(-c2c(F)cccc2F)o1)C(=O)[O-] ZINC000426809695 433606918 /nfs/dbraw/zinc/60/69/18/433606918.db2.gz WLTNLTLLLOSMNJ-CYBMUJFWSA-N -1 3 307.296 3.344 20 30 DGEDHM N#Cc1ccc(CN2CCCC[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000414674507 433782668 /nfs/dbraw/zinc/78/26/68/433782668.db2.gz FCBJQPKOGKNMKU-CYBMUJFWSA-N -1 3 312.291 3.016 20 30 DGEDHM CCC(CC)c1nnc([N-]C(=O)c2ccc(C#N)s2)s1 ZINC000362914103 433906014 /nfs/dbraw/zinc/90/60/14/433906014.db2.gz RCNRTOSHVWRKPA-UHFFFAOYSA-N -1 3 306.416 3.627 20 30 DGEDHM Cc1oc(C#N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000436156097 433891928 /nfs/dbraw/zinc/89/19/28/433891928.db2.gz UCSLNQZYNDKFOO-UHFFFAOYSA-N -1 3 310.231 3.436 20 30 DGEDHM N#CC1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCC1 ZINC000436551650 434005187 /nfs/dbraw/zinc/00/51/87/434005187.db2.gz QJIACZLWIRKFNQ-UHFFFAOYSA-N -1 3 308.337 3.361 20 30 DGEDHM CC(C)[C@H](C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436557884 434010614 /nfs/dbraw/zinc/01/06/14/434010614.db2.gz OSGJBPDDUQVQMR-INIZCTEOSA-N -1 3 310.353 3.462 20 30 DGEDHM CC(C)(C#N)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436714476 434080941 /nfs/dbraw/zinc/08/09/41/434080941.db2.gz FYHLWXUTXBVGEF-UHFFFAOYSA-N -1 3 308.381 3.263 20 30 DGEDHM CCOC(=O)c1cc([N-]C(=O)c2ccc(C#N)o2)c(F)cc1C ZINC000353394622 434103112 /nfs/dbraw/zinc/10/31/12/434103112.db2.gz MWHLZGQTJABMDR-UHFFFAOYSA-N -1 3 316.288 3.028 20 30 DGEDHM N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000436868491 434148532 /nfs/dbraw/zinc/14/85/32/434148532.db2.gz HOSLINMCNMARFJ-HNNXBMFYSA-N -1 3 316.320 3.164 20 30 DGEDHM C=CCNC(=O)c1cccc(-c2noc(-c3ccccc3[O-])n2)c1 ZINC000436921811 434168235 /nfs/dbraw/zinc/16/82/35/434168235.db2.gz VFQLZKUAAKNIAX-UHFFFAOYSA-N -1 3 321.336 3.025 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000416947090 434256786 /nfs/dbraw/zinc/25/67/86/434256786.db2.gz BIGFTXHXJSGCAE-LLVKDONJSA-N -1 3 316.810 3.171 20 30 DGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(-c2cccnc2)ccc1C ZINC000416946341 434258977 /nfs/dbraw/zinc/25/89/77/434258977.db2.gz ATQFBFUSYQMMBR-OAHLLOKOSA-N -1 3 315.398 3.101 20 30 DGEDHM COc1ccc([O-])c2nc(/C=C/c3cc(C#N)n(C)c3)ccc12 ZINC000358665178 434406128 /nfs/dbraw/zinc/40/61/28/434406128.db2.gz VOORRVXKFHUFRT-ONEGZZNKSA-N -1 3 305.337 3.330 20 30 DGEDHM CC(C)(C)C1CCC(O)(CNC(=O)c2csc(=O)[n-]2)CC1 ZINC000329905784 434503548 /nfs/dbraw/zinc/50/35/48/434503548.db2.gz AYLBBQXGFUNNPN-UHFFFAOYSA-N -1 3 312.435 3.121 20 30 DGEDHM Cc1cccc(C)c1CS(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000450989364 434518202 /nfs/dbraw/zinc/51/82/02/434518202.db2.gz DSGYGFMBADLBJL-CXAGYDPISA-N -1 3 320.458 3.195 20 30 DGEDHM COCc1ncc(C(=O)[N-]c2sc(C)c(C)c2C#N)s1 ZINC000360935005 434736606 /nfs/dbraw/zinc/73/66/06/434736606.db2.gz DWPQWOJQPPQPFD-UHFFFAOYSA-N -1 3 307.400 3.092 20 30 DGEDHM C=CCOCCSCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000419513446 434802058 /nfs/dbraw/zinc/80/20/58/434802058.db2.gz FTTMUBAGDNDZIS-UHFFFAOYSA-N -1 3 302.399 3.285 20 30 DGEDHM C=C(C)CN(Cc1ccccc1)C(=O)/C=C/c1cncc([O-])c1 ZINC000491984443 434893306 /nfs/dbraw/zinc/89/33/06/434893306.db2.gz PIDAJUCOOHWDQL-CMDGGOBGSA-N -1 3 308.381 3.405 20 30 DGEDHM CC(=O)c1cccc(NC(=O)C=Cc2cccc(C#N)c2)c1[O-] ZINC000493021004 435092607 /nfs/dbraw/zinc/09/26/07/435092607.db2.gz IOFBRGITUNCHFJ-HJWRWDBZSA-N -1 3 306.321 3.118 20 30 DGEDHM COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c([O-])c1 ZINC000476928423 435248982 /nfs/dbraw/zinc/24/89/82/435248982.db2.gz QEMIAJKGNGGOTK-UHFFFAOYSA-N -1 3 310.353 3.454 20 30 DGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000566309072 435286647 /nfs/dbraw/zinc/28/66/47/435286647.db2.gz RDDAUSUKRQNUCE-UHFFFAOYSA-N -1 3 304.774 3.161 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431755 435297302 /nfs/dbraw/zinc/29/73/02/435297302.db2.gz CHUPPTUCZLXCTO-NSHDSACASA-N -1 3 309.719 3.062 20 30 DGEDHM CCOc1cc(C)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000514865697 435444989 /nfs/dbraw/zinc/44/49/89/435444989.db2.gz MKJBYMJVGHVGTQ-UHFFFAOYSA-N -1 3 310.419 3.075 20 30 DGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000486089775 435589345 /nfs/dbraw/zinc/58/93/45/435589345.db2.gz MFXSMSWNAKVAQZ-LLVKDONJSA-N -1 3 317.838 3.372 20 30 DGEDHM N#CCCC1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000570634042 435637230 /nfs/dbraw/zinc/63/72/30/435637230.db2.gz MLFFYIVLAFSFDH-UHFFFAOYSA-N -1 3 312.413 3.427 20 30 DGEDHM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000486518702 435603589 /nfs/dbraw/zinc/60/35/89/435603589.db2.gz OZYRIXFHLZMVFK-UHFFFAOYSA-N -1 3 324.764 3.460 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H](COC)c1cccc(Cl)c1 ZINC000293558292 335108949 /nfs/dbraw/zinc/10/89/49/335108949.db2.gz CLHFCHKWUWWXBK-GFCCVEGCSA-N -1 3 303.736 3.355 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1nc2cccc(Cl)c2n1C ZINC000293519724 335111396 /nfs/dbraw/zinc/11/13/96/335111396.db2.gz OLDBTDXHDNRCRN-UHFFFAOYSA-N -1 3 313.735 3.054 20 30 DGEDHM C=CCC(C)(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000293733962 335112753 /nfs/dbraw/zinc/11/27/53/335112753.db2.gz PILCGOACMMABKR-UHFFFAOYSA-N -1 3 312.207 3.373 20 30 DGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)ccc1[O-] ZINC000130199792 341006373 /nfs/dbraw/zinc/00/63/73/341006373.db2.gz QWXHWRGZSIBTEX-UHFFFAOYSA-N -1 3 306.365 3.401 20 30 DGEDHM CC(C)Cn1ncc(C([O-])=C(C#N)c2ccccn2)c1C1CC1 ZINC000131182969 341064096 /nfs/dbraw/zinc/06/40/96/341064096.db2.gz VQMUEPSPMDMMSB-AWEZNQCLSA-N -1 3 308.385 3.302 20 30 DGEDHM CCC[C@@H](C#N)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000547706615 341227851 /nfs/dbraw/zinc/22/78/51/341227851.db2.gz SQMDJFIFUWSVFX-INIZCTEOSA-N -1 3 322.364 3.045 20 30 DGEDHM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435442000 533785334 /nfs/dbraw/zinc/78/53/34/533785334.db2.gz IYHQABYDHAJJJC-LLVKDONJSA-N -1 3 312.460 3.257 20 30 DGEDHM CCCCN([O-])C(=O)[C@H](C)Oc1ccccc1Br ZINC001472620387 1183656528 /nfs/dbraw/zinc/65/65/28/1183656528.db2.gz AASMEEIKNFLHIB-JTQLQIEISA-N -1 3 316.195 3.234 20 30 DGEDHM N#CC1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000294610632 534583384 /nfs/dbraw/zinc/58/33/84/534583384.db2.gz DKSQNXQWBFSSDC-UHFFFAOYSA-N -1 3 308.381 3.240 20 30 DGEDHM Cn1cc(Oc2ccccc2C([O-])=C(C#N)c2ccccn2)cn1 ZINC000338626434 534748060 /nfs/dbraw/zinc/74/80/60/534748060.db2.gz NXLXWFLBBLJSOB-HNNXBMFYSA-N -1 3 318.336 3.097 20 30 DGEDHM C=C(CNC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000353527114 526872633 /nfs/dbraw/zinc/87/26/33/526872633.db2.gz SLVQAEJRDJCBJS-UHFFFAOYSA-N -1 3 300.333 3.044 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CCOc2c(Cl)cccc21 ZINC000294442778 527037830 /nfs/dbraw/zinc/03/78/30/527037830.db2.gz FNCOZOLJRDAEJG-NSHDSACASA-N -1 3 301.720 3.491 20 30 DGEDHM C=CCCN(C)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000346814226 527315493 /nfs/dbraw/zinc/31/54/93/527315493.db2.gz AFDFSPMNKQYAJB-UHFFFAOYSA-N -1 3 309.365 3.271 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCC[C@@H](C)OCc1ccccc1 ZINC000352932501 527332677 /nfs/dbraw/zinc/33/26/77/527332677.db2.gz SZESDNXUMRBZFZ-CYBMUJFWSA-N -1 3 319.430 3.257 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000443640495 527614681 /nfs/dbraw/zinc/61/46/81/527614681.db2.gz NLFSUOAMVNSONG-OAHLLOKOSA-N -1 3 306.316 3.291 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000443640495 527614686 /nfs/dbraw/zinc/61/46/86/527614686.db2.gz NLFSUOAMVNSONG-OAHLLOKOSA-N -1 3 306.316 3.291 20 30 DGEDHM C=C[C@](C)(CC)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000443640495 527614688 /nfs/dbraw/zinc/61/46/88/527614688.db2.gz NLFSUOAMVNSONG-OAHLLOKOSA-N -1 3 306.316 3.291 20 30 DGEDHM 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ZINC000727265532 576115401 /nfs/dbraw/zinc/11/54/01/576115401.db2.gz SQMRYPQLMCQHHV-UNOMPAQXSA-N -1 3 313.353 3.181 20 30 DGEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccc([O-])c(F)c2)o1 ZINC000728429993 576181130 /nfs/dbraw/zinc/18/11/30/576181130.db2.gz VMGDLVITGNIAMX-UHFFFAOYSA-N -1 3 302.309 3.350 20 30 DGEDHM CC(N=Nc1ncnc2sccc21)c1ccc([O-])c(F)c1 ZINC000728426101 576181363 /nfs/dbraw/zinc/18/13/63/576181363.db2.gz USRMPSWDOZNVQF-UHFFFAOYSA-N -1 3 302.334 3.372 20 30 DGEDHM COc1cc(C(=O)/C=C\c2csc([N+](=O)[O-])c2)ccc1[O-] ZINC000917142342 620658269 /nfs/dbraw/zinc/65/82/69/620658269.db2.gz AGQQFAGNQQHTFN-RQOWECAXSA-N -1 3 305.311 3.267 20 30 DGEDHM CCOc1cc(CN=Nc2oc(C)nc2C#N)cc(Cl)c1[O-] ZINC000917555363 620675442 /nfs/dbraw/zinc/67/54/42/620675442.db2.gz OOSISOZWWRWFAK-UHFFFAOYSA-N -1 3 320.736 3.058 20 30 DGEDHM C=C(C)CNN=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000811651211 617614898 /nfs/dbraw/zinc/61/48/98/617614898.db2.gz LPINLJFHRAYTBQ-UHFFFAOYSA-N -1 3 313.195 3.053 20 30 DGEDHM C=CCCCN(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000890816295 617685174 /nfs/dbraw/zinc/68/51/74/617685174.db2.gz SLJPETKAXOZQGE-UHFFFAOYSA-N -1 3 315.417 3.023 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(Br)c(Cl)c1 ZINC000846556007 617771423 /nfs/dbraw/zinc/77/14/23/617771423.db2.gz WSHVNNAKQHQQBW-MRVPVSSYSA-N -1 3 318.598 3.267 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CCCC1 ZINC000891476024 617812424 /nfs/dbraw/zinc/81/24/24/617812424.db2.gz MQCZVVLKQZWVSA-UHFFFAOYSA-N -1 3 315.352 3.081 20 30 DGEDHM C=CCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC000891476024 617812430 /nfs/dbraw/zinc/81/24/30/617812430.db2.gz MQCZVVLKQZWVSA-UHFFFAOYSA-N -1 3 315.352 3.081 20 30 DGEDHM COC1CC(CC/N=C/c2cc(Br)ccc2[O-])C1 ZINC000849171529 618021547 /nfs/dbraw/zinc/02/15/47/618021547.db2.gz YYVJWXWXGTXOQX-CXUHLZMHSA-N -1 3 312.207 3.389 20 30 DGEDHM Cc1ncc(CO)c(/C=N/CCC(C)(C)c2ccccc2)c1[O-] ZINC000920177682 620789549 /nfs/dbraw/zinc/78/95/49/620789549.db2.gz JELAQRZVJGEMOL-UDWIEESQSA-N -1 3 312.413 3.375 20 30 DGEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(C(C)(F)F)cc2)c1[O-] ZINC000840706682 618975521 /nfs/dbraw/zinc/97/55/21/618975521.db2.gz NOPMGIRCTMPIIE-UKWGHVSLSA-N -1 3 320.339 3.319 20 30 DGEDHM Cn1ccnc1[C@@H]1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCO1 ZINC000840711055 619012126 /nfs/dbraw/zinc/01/21/26/619012126.db2.gz UNTFMYTWBAYTQJ-UWNKVGMTSA-N -1 3 319.792 3.118 20 30 DGEDHM CC(C)c1c(-c2cccc(Cl)c2)[n-]n([C@H](C)CC#N)c1=O ZINC000899350088 619328748 /nfs/dbraw/zinc/32/87/48/619328748.db2.gz UCELIQHNCCGAEI-BXUZGUMPSA-N -1 3 303.793 3.461 20 30 DGEDHM Cc1noc(Cl)c1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000900094014 619404057 /nfs/dbraw/zinc/40/40/57/619404057.db2.gz FZPRVFAUMCEIFX-UHFFFAOYSA-N -1 3 312.728 3.126 20 30 DGEDHM Cc1cc(CCC(=O)N([O-])CCCCc2ccccc2)no1 ZINC000900679687 619445008 /nfs/dbraw/zinc/44/50/08/619445008.db2.gz UHXICMMOAMVAOL-UHFFFAOYSA-N -1 3 302.374 3.156 20 30 DGEDHM O=C(c1cc(C(F)F)ncn1)N([O-])CCCCc1ccccc1 ZINC000900677656 619445116 /nfs/dbraw/zinc/44/51/16/619445116.db2.gz 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ZINC000904207964 619893394 /nfs/dbraw/zinc/89/33/94/619893394.db2.gz JUCWLDVBPWCPER-UHFFFAOYSA-N -1 3 323.780 3.341 20 30 DGEDHM CCCCN([O-])C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000904207981 619893497 /nfs/dbraw/zinc/89/34/97/619893497.db2.gz KMHCTTCMHXSYMO-UHFFFAOYSA-N -1 3 317.389 3.062 20 30 DGEDHM CC(C)(C)n1cc(C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC000904188877 619894305 /nfs/dbraw/zinc/89/43/05/619894305.db2.gz RCCMVBAHWKMYIW-UHFFFAOYSA-N -1 3 307.781 3.323 20 30 DGEDHM CC(C)c1nccn1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904192266 619895002 /nfs/dbraw/zinc/89/50/02/619895002.db2.gz GKVUJOLKBWZPAO-UHFFFAOYSA-N -1 3 307.781 3.078 20 30 DGEDHM Cc1noc(C)c1CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904201545 619897708 /nfs/dbraw/zinc/89/77/08/619897708.db2.gz VUQLPSMIGGTGCG-UHFFFAOYSA-N -1 3 316.401 3.465 20 30 DGEDHM Cc1noc(C)c1CC(=O)N([O-])CCCCc1ccccc1 ZINC000904202184 619897798 /nfs/dbraw/zinc/89/77/98/619897798.db2.gz XDJOUGWLTIVXHP-UHFFFAOYSA-N -1 3 302.374 3.075 20 30 DGEDHM CCCCCCN(O)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000904205338 619897989 /nfs/dbraw/zinc/89/79/89/619897989.db2.gz IJNHDFWRSDYBGZ-UHFFFAOYSA-N -1 3 319.405 3.006 20 30 DGEDHM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N([O-])CCCC ZINC000904215884 619898671 /nfs/dbraw/zinc/89/86/71/619898671.db2.gz OTVSIHYRLNKMHF-LLVKDONJSA-N -1 3 320.817 3.040 20 30 DGEDHM N#CC[C@@H](/N=C\c1cc(Br)ccc1[O-])C(F)(F)F ZINC000905002082 619964040 /nfs/dbraw/zinc/96/40/40/619964040.db2.gz FUHZLBWEIJYCTE-MGQRRDKCSA-N -1 3 321.096 3.418 20 30 DGEDHM N#CC[C@H](/N=C\c1cc(Br)ccc1[O-])C(F)(F)F ZINC000905002081 619964179 /nfs/dbraw/zinc/96/41/79/619964179.db2.gz FUHZLBWEIJYCTE-CIPOKBDDSA-N -1 3 321.096 3.418 20 30 DGEDHM C#CCCCCCCN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000905802506 620030902 /nfs/dbraw/zinc/03/09/02/620030902.db2.gz GZUWGHOYXCTRFD-UHFFFAOYSA-N -1 3 301.386 3.163 20 30 DGEDHM C=CCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C1CC1 ZINC000907211304 620143060 /nfs/dbraw/zinc/14/30/60/620143060.db2.gz GPBJDBMLHRVIII-UHFFFAOYSA-N -1 3 323.418 3.281 20 30 DGEDHM C[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000907419234 620156468 /nfs/dbraw/zinc/15/64/68/620156468.db2.gz ALNMAFRIPVUXGN-QMMMGPOBSA-N -1 3 306.234 3.107 20 30 DGEDHM CC(C)CCc1nnc([N-]C(=O)c2ccsc2C#N)s1 ZINC000912284643 620377093 /nfs/dbraw/zinc/37/70/93/620377093.db2.gz BMQGCIHLRVXUEO-UHFFFAOYSA-N -1 3 306.416 3.312 20 30 DGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000914891832 620559825 /nfs/dbraw/zinc/55/98/25/620559825.db2.gz OMRKDBCNERETMD-LLVKDONJSA-N -1 3 320.414 3.199 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cc2ccccc2Cl)c1[O-] ZINC000915980021 620610796 /nfs/dbraw/zinc/61/07/96/620610796.db2.gz WRESAKVOVBFHSO-FBRGWYAUSA-N -1 3 318.804 3.291 20 30 DGEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1nnc2ccccc2c1[O-] ZINC000855169684 620876104 /nfs/dbraw/zinc/87/61/04/620876104.db2.gz BHFDCQFJEDHJRD-GXTWGEPZSA-N -1 3 311.385 3.200 20 30 DGEDHM C=CCC1(NC(=O)c2cc([O-])c3ccccc3c2)CCOCC1 ZINC000855686281 620924686 /nfs/dbraw/zinc/92/46/86/620924686.db2.gz BUJMGRHEXHMZLP-UHFFFAOYSA-N -1 3 311.381 3.401 20 30 DGEDHM C=CCCO[N-]C(=O)CCCc1ccccc1Br ZINC000856032825 620955163 /nfs/dbraw/zinc/95/51/63/620955163.db2.gz RYLTVYLFUYBMGH-UHFFFAOYSA-N -1 3 312.207 3.396 20 30 DGEDHM C=CCCO[N-]C(=O)CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000856034309 620955698 /nfs/dbraw/zinc/95/56/98/620955698.db2.gz DFUJQMMRGLWORD-MRXNPFEDSA-N -1 3 305.418 3.422 20 30 DGEDHM C#CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000857294858 621076890 /nfs/dbraw/zinc/07/68/90/621076890.db2.gz KYJDEIGUKTYRNT-LLVKDONJSA-N -1 3 311.303 3.287 20 30 DGEDHM Cc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000753533241 621446528 /nfs/dbraw/zinc/44/65/28/621446528.db2.gz NIYWQHWJMKCREY-NSHDSACASA-N -1 3 313.744 3.005 20 30 DGEDHM [O-]c1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)nc1 ZINC000755688851 621585910 /nfs/dbraw/zinc/58/59/10/621585910.db2.gz GEBQRPWQCFLKMT-UHFFFAOYSA-N -1 3 311.263 3.174 20 30 DGEDHM [O-]c1ccc(CN=Nc2nc(C(F)(F)F)cs2)cc1F ZINC000755771756 621592656 /nfs/dbraw/zinc/59/26/56/621592656.db2.gz YEUGXJSJJLFYBE-UHFFFAOYSA-N -1 3 305.256 3.453 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2ccc(C3CC3)cc2F)c1[O-] ZINC000864348614 621759357 /nfs/dbraw/zinc/75/93/57/621759357.db2.gz NKHQWXXIJWHUIP-UHFFFAOYSA-N -1 3 300.333 3.355 20 30 DGEDHM C=C(C)C[C@@H](NCc1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000864529891 621780121 /nfs/dbraw/zinc/78/01/21/621780121.db2.gz NRHHAYIKYPTMIK-LLVKDONJSA-N -1 3 321.270 3.233 20 30 DGEDHM Cc1ccc(N(C)C(C)C)c(C([O-])=C(C#N)c2ccncn2)c1 ZINC000760358277 621935374 /nfs/dbraw/zinc/93/53/74/621935374.db2.gz OUFOBIPCFALKHH-OAHLLOKOSA-N -1 3 308.385 3.120 20 30 DGEDHM CCN(CC)c1ccnc(N=NC(C)c2ccc(F)cc2[O-])n1 ZINC000762607329 622086076 /nfs/dbraw/zinc/08/60/76/622086076.db2.gz APXHREXSWQEPAY-UHFFFAOYSA-N -1 3 317.368 3.004 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000763098347 622122824 /nfs/dbraw/zinc/12/28/24/622122824.db2.gz WLVDUXRNJOSIAK-OJTJRJJXSA-N -1 3 322.836 3.108 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(C#N)c(C)c2)c(OC)cc1[O-] ZINC000766491864 622333797 /nfs/dbraw/zinc/33/37/97/622333797.db2.gz SBRBFJUZZMZQOY-FNORWQNLSA-N -1 3 323.348 3.486 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cc(C#N)cs2)c(OC)cc1[O-] ZINC000122513674 622338064 /nfs/dbraw/zinc/33/80/64/622338064.db2.gz YZLXOOJDRAHSSZ-ONEGZZNKSA-N -1 3 315.350 3.239 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(C#N)s2)c(OC)cc1[O-] ZINC000122523241 622344462 /nfs/dbraw/zinc/34/44/62/622344462.db2.gz FYMKVMATLGWZHY-AATRIKPKSA-N -1 3 315.350 3.239 20 30 DGEDHM COc1cc(C=NNc2cccc(Cl)c2)c([N+](=O)[O-])cc1[O-] ZINC000767035409 622370480 /nfs/dbraw/zinc/37/04/80/622370480.db2.gz ZKBQGVLHZUADMY-UHFFFAOYSA-N -1 3 321.720 3.408 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000869590915 622378093 /nfs/dbraw/zinc/37/80/93/622378093.db2.gz JPGXOHSNVLHOIE-OLZOCXBDSA-N -1 3 317.282 3.122 20 30 DGEDHM CC#CCCCC(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000767992026 622432636 /nfs/dbraw/zinc/43/26/36/622432636.db2.gz XKCDOMPIEBYNSL-UHFFFAOYSA-N -1 3 310.353 3.257 20 30 DGEDHM C#C[C@H](C)N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000769655669 622547289 /nfs/dbraw/zinc/54/72/89/622547289.db2.gz FPBVFCYUKUVRKK-HNNXBMFYSA-N -1 3 307.393 3.271 20 30 DGEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1sccc1[O-] ZINC000769765451 622558522 /nfs/dbraw/zinc/55/85/22/622558522.db2.gz HDBURAMDGDROGM-UHFFFAOYSA-N -1 3 322.302 3.106 20 30 DGEDHM CC(N=Nc1c(F)c(F)nc(F)c1F)c1sccc1[O-] ZINC000769778727 622559260 /nfs/dbraw/zinc/55/92/60/622559260.db2.gz SFTIHKRYPRAGES-UHFFFAOYSA-N -1 3 305.256 3.241 20 30 DGEDHM CC(C)=CCCC(C)C=CN=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000769817613 622564506 /nfs/dbraw/zinc/56/45/06/622564506.db2.gz NLSRKVZJRBOMLN-DZQWHFOVSA-N -1 3 314.393 3.159 20 30 DGEDHM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)n1 ZINC000769945405 622580868 /nfs/dbraw/zinc/58/08/68/622580868.db2.gz JSKBQRDLLXPTBZ-OAHLLOKOSA-N -1 3 324.384 3.205 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCCS1 ZINC000129347530 625593130 /nfs/dbraw/zinc/59/31/30/625593130.db2.gz LGYDEAMRUBBTMK-NGPAHMQLSA-N -1 3 300.221 3.469 20 30 DGEDHM COC(=O)c1coc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)c1 ZINC000774115747 623109058 /nfs/dbraw/zinc/10/90/58/623109058.db2.gz RAHMIVSXMSLQDQ-OITNDJBGSA-N -1 3 316.284 3.294 20 30 DGEDHM Cc1ncc(CO)c(/C=N\C[C@]2(C)CCCc3ccccc32)c1[O-] ZINC000774543684 623158961 /nfs/dbraw/zinc/15/89/61/623158961.db2.gz ZYSPZJQYMHKFJM-KMRXCDNJSA-N -1 3 324.424 3.301 20 30 DGEDHM COc1ccc(COC(=O)c2cccc(Cl)c2[O-])cc1C#N ZINC000775930850 623352375 /nfs/dbraw/zinc/35/23/75/623352375.db2.gz VHNCOXJNMXTKKQ-UHFFFAOYSA-N -1 3 317.728 3.283 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccnn2-c2ccccc2)ccc1[O-] ZINC000790602048 625676259 /nfs/dbraw/zinc/67/62/59/625676259.db2.gz QYWZPMUPSNFHFR-NTMALXAHSA-N -1 3 320.348 3.483 20 30 DGEDHM CC[C@H]1CCCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000779774939 623800518 /nfs/dbraw/zinc/80/05/18/623800518.db2.gz PWVIPRHQLGKLCQ-HNNXBMFYSA-N -1 3 308.447 3.105 20 30 DGEDHM CCN(Cc1cc(C)cc(Br)c1[O-])C[C@H](C)C#N ZINC000781902747 624168100 /nfs/dbraw/zinc/16/81/00/624168100.db2.gz UENRKTFNQHWMCT-LLVKDONJSA-N -1 3 311.223 3.445 20 30 DGEDHM CSc1c(F)cc(N=Cc2c([O-])c(C)ncc2CO)cc1F ZINC000783682001 624383349 /nfs/dbraw/zinc/38/33/49/624383349.db2.gz OGSCGWHJOGKPOQ-UHFFFAOYSA-N -1 3 324.352 3.339 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCCCc1ccc(OC)c(OC)c1 ZINC000880548509 624975919 /nfs/dbraw/zinc/97/59/19/624975919.db2.gz WTEWAFODQATCLE-UHFFFAOYSA-N -1 3 307.390 3.041 20 30 DGEDHM N#Cc1cccc(COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787847128 625063582 /nfs/dbraw/zinc/06/35/82/625063582.db2.gz ZYGSVUZQFKQIGI-UHFFFAOYSA-N -1 3 313.328 3.469 20 30 DGEDHM C=C[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000798902395 626255593 /nfs/dbraw/zinc/25/55/93/626255593.db2.gz ACWDSHXIJXNTMQ-OAHLLOKOSA-N -1 3 316.401 3.352 20 30 DGEDHM Cc1nc(Cl)ccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000802032404 626429429 /nfs/dbraw/zinc/42/94/29/626429429.db2.gz QWTLCBZWGLMVGM-LBPRGKRZSA-N -1 3 324.771 3.420 20 30 DGEDHM CC(C)n1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)nn1 ZINC000806571779 626722878 /nfs/dbraw/zinc/72/28/78/626722878.db2.gz ZIXBARVSFIETRF-VKRGWIQLSA-N -1 3 301.321 3.087 20 30 DGEDHM COc1cccc2c(C(=O)O[C@@H](C#N)C3CCCCC3)n[n-]c21 ZINC000808672152 626848314 /nfs/dbraw/zinc/84/83/14/626848314.db2.gz FIDGOYTXPNQWLL-AWEZNQCLSA-N -1 3 313.357 3.201 20 30 DGEDHM COc1cccc2c(C(=O)O[C@@H](C#N)C3CCCCC3)[n-]nc21 ZINC000808672152 626848315 /nfs/dbraw/zinc/84/83/15/626848315.db2.gz FIDGOYTXPNQWLL-AWEZNQCLSA-N -1 3 313.357 3.201 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2c3ccccc3CC[C@H]2F)c1[O-] ZINC000887270233 627239714 /nfs/dbraw/zinc/23/97/14/627239714.db2.gz JQNAQKZIKHZIIJ-HXZUDYBMSA-N -1 3 314.360 3.032 20 30 DGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ncc(C(C)(C)C)o1 ZINC000811183962 627254546 /nfs/dbraw/zinc/25/45/46/627254546.db2.gz COQFFBHWZAYUSF-SNVBAGLBSA-N -1 3 314.341 3.467 20 30 DGEDHM CC(=NN[C@@H](C)COc1ccccc1)c1ccc([O-])c(F)c1 ZINC000811664559 627303011 /nfs/dbraw/zinc/30/30/11/627303011.db2.gz FYLAJOLDENWUOC-LBPRGKRZSA-N -1 3 302.349 3.312 20 30 DGEDHM COc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1O ZINC000811697597 627307355 /nfs/dbraw/zinc/30/73/55/627307355.db2.gz FWQDIVVNZSPGBU-HWKANZROSA-N -1 3 306.264 3.281 20 30 DGEDHM C#CCO[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000812781742 627419564 /nfs/dbraw/zinc/41/95/64/627419564.db2.gz DIPRQJMXEOEMRC-UHFFFAOYSA-N -1 3 305.377 3.262 20 30 DGEDHM COc1ccncc1C/N=C/c1cc(Br)ccc1[O-] ZINC000814183836 627548171 /nfs/dbraw/zinc/54/81/71/627548171.db2.gz OPLPZNNDERUZCQ-REZTVBANSA-N -1 3 321.174 3.177 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccccc1OC(F)(F)F ZINC000814840784 627597069 /nfs/dbraw/zinc/59/70/69/627597069.db2.gz RLWDKTJOZOKTPL-UHFFFAOYSA-N -1 3 309.234 3.413 20 30 DGEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1C1CC1 ZINC000819718689 628183224 /nfs/dbraw/zinc/18/32/24/628183224.db2.gz NOEATDKNSQHTNV-UHFFFAOYSA-N -1 3 304.357 3.190 20 30 DGEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1C1CC1 ZINC000819718689 628183228 /nfs/dbraw/zinc/18/32/28/628183228.db2.gz NOEATDKNSQHTNV-UHFFFAOYSA-N -1 3 304.357 3.190 20 30 DGEDHM C=CCC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000819733867 628184047 /nfs/dbraw/zinc/18/40/47/628184047.db2.gz DGCJMGKEHVCENA-OAHLLOKOSA-N -1 3 306.373 3.381 20 30 DGEDHM C=CCC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000819733867 628184049 /nfs/dbraw/zinc/18/40/49/628184049.db2.gz DGCJMGKEHVCENA-OAHLLOKOSA-N -1 3 306.373 3.381 20 30 DGEDHM Cc1ccccc1CC(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820300631 628244173 /nfs/dbraw/zinc/24/41/73/628244173.db2.gz SEHFYMBXJZFDFF-UHFFFAOYSA-N -1 3 306.373 3.206 20 30 DGEDHM Cc1ccccc1CC(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820300631 628244174 /nfs/dbraw/zinc/24/41/74/628244174.db2.gz SEHFYMBXJZFDFF-UHFFFAOYSA-N -1 3 306.373 3.206 20 30 DGEDHM C[C@@H](Nc1ccc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820455150 628260651 /nfs/dbraw/zinc/26/06/51/628260651.db2.gz FIYHSLGBRDKLLJ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820455150 628260655 /nfs/dbraw/zinc/26/06/55/628260655.db2.gz FIYHSLGBRDKLLJ-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@H]1C(N=Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1c1ccccc1 ZINC000820642696 628281843 /nfs/dbraw/zinc/28/18/43/628281843.db2.gz KYZCULNJZVFTGI-WBMJQRKESA-N -1 3 318.384 3.458 20 30 DGEDHM C[C@H]1C(N=Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1c1ccccc1 ZINC000820642696 628281846 /nfs/dbraw/zinc/28/18/46/628281846.db2.gz KYZCULNJZVFTGI-WBMJQRKESA-N -1 3 318.384 3.458 20 30 DGEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)O2 ZINC000822213144 628429700 /nfs/dbraw/zinc/42/97/00/628429700.db2.gz WNIWMHHGQZXKGB-NTUHNPAUSA-N -1 3 324.365 3.161 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC000822275891 628435435 /nfs/dbraw/zinc/43/54/35/628435435.db2.gz ZHEIUFQWSDRXCU-FLIBITNWSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822345154 628443295 /nfs/dbraw/zinc/44/32/95/628443295.db2.gz GKXABQXBBXVMLA-HJWRWDBZSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822345154 628443296 /nfs/dbraw/zinc/44/32/96/628443296.db2.gz GKXABQXBBXVMLA-HJWRWDBZSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822350779 628443715 /nfs/dbraw/zinc/44/37/15/628443715.db2.gz HBGDJTOBPGKVEJ-XNTDXEJSSA-N -1 3 316.364 3.388 20 30 DGEDHM Cc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822350779 628443716 /nfs/dbraw/zinc/44/37/16/628443716.db2.gz HBGDJTOBPGKVEJ-XNTDXEJSSA-N -1 3 316.364 3.388 20 30 DGEDHM Fc1c(Cl)cccc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822737227 628486450 /nfs/dbraw/zinc/48/64/50/628486450.db2.gz RGOBSUHZXDEDHA-UHFFFAOYSA-N -1 3 322.756 3.167 20 30 DGEDHM Fc1c(Cl)cccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822737227 628486453 /nfs/dbraw/zinc/48/64/53/628486453.db2.gz RGOBSUHZXDEDHA-UHFFFAOYSA-N -1 3 322.756 3.167 20 30 DGEDHM Fc1cc(NN=Cc2cc(-c3nnn[n-]3)cs2)ccc1Cl ZINC000822753294 628489656 /nfs/dbraw/zinc/48/96/56/628489656.db2.gz LXNDUNNLWBSGIO-UHFFFAOYSA-N -1 3 322.756 3.167 20 30 DGEDHM Fc1cc(NN=Cc2cc(-c3nn[n-]n3)cs2)ccc1Cl ZINC000822753294 628489658 /nfs/dbraw/zinc/48/96/58/628489658.db2.gz LXNDUNNLWBSGIO-UHFFFAOYSA-N -1 3 322.756 3.167 20 30 DGEDHM O=C1C(=Cc2ccsc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504464 628570268 /nfs/dbraw/zinc/57/02/68/628570268.db2.gz QLPZVAZVVVKKTJ-GHXNOFRVSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1C(=Cc2ccsc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504464 628570269 /nfs/dbraw/zinc/57/02/69/628570269.db2.gz QLPZVAZVVVKKTJ-GHXNOFRVSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1F ZINC000823503808 628570548 /nfs/dbraw/zinc/57/05/48/628570548.db2.gz JBMDPFRIGBTPBK-RAXLEYEMSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1F ZINC000823503808 628570553 /nfs/dbraw/zinc/57/05/53/628570553.db2.gz JBMDPFRIGBTPBK-RAXLEYEMSA-N -1 3 320.327 3.218 20 30 DGEDHM CC(C)(C#N)c1ccccc1CN1CCCC[C@@H]1CNC(=O)[O-] ZINC000823737752 628592164 /nfs/dbraw/zinc/59/21/64/628592164.db2.gz KWLVSIQILDNMLY-OAHLLOKOSA-N -1 3 315.417 3.110 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823841369 628601823 /nfs/dbraw/zinc/60/18/23/628601823.db2.gz LUCAZANCWHZWJN-UHFFFAOYSA-N -1 3 317.780 3.042 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823841369 628601826 /nfs/dbraw/zinc/60/18/26/628601826.db2.gz LUCAZANCWHZWJN-UHFFFAOYSA-N -1 3 317.780 3.042 20 30 DGEDHM CC#CCNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823942996 628611340 /nfs/dbraw/zinc/61/13/40/628611340.db2.gz MJZUYHOIPDWBSI-UHFFFAOYSA-N -1 3 305.341 3.094 20 30 DGEDHM CC#CCNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823942996 628611344 /nfs/dbraw/zinc/61/13/44/628611344.db2.gz MJZUYHOIPDWBSI-UHFFFAOYSA-N -1 3 305.341 3.094 20 30 DGEDHM CC(=NNc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958626 628614218 /nfs/dbraw/zinc/61/42/18/628614218.db2.gz TXVZCVUJWKYUBO-UHFFFAOYSA-N -1 3 320.328 3.043 20 30 DGEDHM C[C@@H](CCN=Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824401224 628657800 /nfs/dbraw/zinc/65/78/00/628657800.db2.gz OFIURCXGWOMYDQ-ZDUSSCGKSA-N -1 3 306.373 3.458 20 30 DGEDHM C[C@@H](CCN=Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824401224 628657801 /nfs/dbraw/zinc/65/78/01/628657801.db2.gz OFIURCXGWOMYDQ-ZDUSSCGKSA-N -1 3 306.373 3.458 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccccc1-c1nnn[n-]1 ZINC000824782921 628693561 /nfs/dbraw/zinc/69/35/61/628693561.db2.gz AHCWYPFZNRYFBJ-WJDWOHSUSA-N -1 3 316.364 3.424 20 30 DGEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccccc1-c1nn[n-]n1 ZINC000824782921 628693564 /nfs/dbraw/zinc/69/35/64/628693564.db2.gz AHCWYPFZNRYFBJ-WJDWOHSUSA-N -1 3 316.364 3.424 20 30 DGEDHM COc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)CC(C)C ZINC000824998287 628714994 /nfs/dbraw/zinc/71/49/94/628714994.db2.gz NHVQBEXJNQFBIZ-HNNXBMFYSA-N -1 3 310.344 3.232 20 30 DGEDHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(F)c(C#N)c1)c1ccccc1 ZINC000826051494 628823437 /nfs/dbraw/zinc/82/34/37/628823437.db2.gz CLKIULGSTJVEOC-SJCJKPOMSA-N -1 3 312.344 3.249 20 30 DGEDHM Cc1cc(C)c(NN=Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826263801 628836094 /nfs/dbraw/zinc/83/60/94/628836094.db2.gz RBYOSKMHQPGKEW-UHFFFAOYSA-N -1 3 306.373 3.238 20 30 DGEDHM Cc1cc(C)c(NN=Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826263801 628836095 /nfs/dbraw/zinc/83/60/95/628836095.db2.gz RBYOSKMHQPGKEW-UHFFFAOYSA-N -1 3 306.373 3.238 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826285810 628839008 /nfs/dbraw/zinc/83/90/08/628839008.db2.gz KKRXAWOCHPVQGD-RMKNXTFCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826285810 628839013 /nfs/dbraw/zinc/83/90/13/628839013.db2.gz KKRXAWOCHPVQGD-RMKNXTFCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826286240 628840390 /nfs/dbraw/zinc/84/03/90/628840390.db2.gz WMXZFLSNYXVHTL-FNORWQNLSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826286240 628840392 /nfs/dbraw/zinc/84/03/92/628840392.db2.gz WMXZFLSNYXVHTL-FNORWQNLSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826295392 628841233 /nfs/dbraw/zinc/84/12/33/628841233.db2.gz FQAADHOIPITTRP-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826295392 628841236 /nfs/dbraw/zinc/84/12/36/628841236.db2.gz FQAADHOIPITTRP-VURMDHGXSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000826294191 628841394 /nfs/dbraw/zinc/84/13/94/628841394.db2.gz LKYYFVNGIJEVEY-XFXZXTDPSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccsc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826316396 628844322 /nfs/dbraw/zinc/84/43/22/628844322.db2.gz MUQHSPMFLJPPMM-UHFFFAOYSA-N -1 3 318.793 3.336 20 30 DGEDHM Cc1ccsc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826316396 628844323 /nfs/dbraw/zinc/84/43/23/628844323.db2.gz MUQHSPMFLJPPMM-UHFFFAOYSA-N -1 3 318.793 3.336 20 30 DGEDHM Clc1cc(N=NC[C@H]2CC=CCC2)ccc1-c1nnn[n-]1 ZINC000826351340 628845874 /nfs/dbraw/zinc/84/58/74/628845874.db2.gz IWFCNPHMNAEMKX-JTQLQIEISA-N -1 3 302.769 3.274 20 30 DGEDHM Clc1cc(N=NC[C@H]2CC=CCC2)ccc1-c1nn[n-]n1 ZINC000826351340 628845875 /nfs/dbraw/zinc/84/58/75/628845875.db2.gz IWFCNPHMNAEMKX-JTQLQIEISA-N -1 3 302.769 3.274 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400799 628851071 /nfs/dbraw/zinc/85/10/71/628851071.db2.gz INIWYILLKTWAIU-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400799 628851073 /nfs/dbraw/zinc/85/10/73/628851073.db2.gz INIWYILLKTWAIU-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401461 628851250 /nfs/dbraw/zinc/85/12/50/628851250.db2.gz ZNBJTKJRDMXHAI-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401461 628851252 /nfs/dbraw/zinc/85/12/52/628851252.db2.gz ZNBJTKJRDMXHAI-FPYGCLRLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)s1 ZINC000826402246 628851784 /nfs/dbraw/zinc/85/17/84/628851784.db2.gz POSNCNWBIBKWIW-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)s1 ZINC000826402246 628851789 /nfs/dbraw/zinc/85/17/89/628851789.db2.gz POSNCNWBIBKWIW-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403631 628851987 /nfs/dbraw/zinc/85/19/87/628851987.db2.gz XKWNIGFNFLEIGJ-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403631 628851991 /nfs/dbraw/zinc/85/19/91/628851991.db2.gz XKWNIGFNFLEIGJ-VURMDHGXSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475798 628852228 /nfs/dbraw/zinc/85/22/28/628852228.db2.gz QYYZZTSUJWIMLN-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475798 628852232 /nfs/dbraw/zinc/85/22/32/628852232.db2.gz QYYZZTSUJWIMLN-LCYFTJDESA-N -1 3 320.327 3.218 20 30 DGEDHM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827058425 628917866 /nfs/dbraw/zinc/91/78/66/628917866.db2.gz DZFBAZZFGYIHNA-GOSISDBHSA-N -1 3 324.380 3.261 20 30 DGEDHM CCOCc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000830022109 629218199 /nfs/dbraw/zinc/21/81/99/629218199.db2.gz QHDKBJYAGZWXLK-SFHVURJKSA-N -1 3 324.380 3.010 20 30 DGEDHM C=CCOc1ccc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)cc1Cl ZINC000833377561 629594206 /nfs/dbraw/zinc/59/42/06/629594206.db2.gz BQWHLQKOBNXMKE-WCQYABFASA-N -1 3 309.793 3.057 20 30 DGEDHM C=CCCOCCN[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833375104 629594375 /nfs/dbraw/zinc/59/43/75/629594375.db2.gz WKYNICGUXKFJDD-CYBMUJFWSA-N -1 3 318.200 3.301 20 30 DGEDHM C[C@H]1CC(N=Nc2ccc(C(=O)[O-])c(Cl)c2)CN1C1CC1 ZINC000833588211 629626726 /nfs/dbraw/zinc/62/67/26/629626726.db2.gz OQEFSBYBWGIVAC-VIFPVBQESA-N -1 3 307.781 3.063 20 30 DGEDHM CCCCC1N=NC(=S)N1N=Cc1c([O-])cc(C)cc1Cl ZINC000841607623 630448051 /nfs/dbraw/zinc/44/80/51/630448051.db2.gz ZKOUWRZNGRZLNF-UHFFFAOYSA-N -1 3 324.837 3.459 20 30 DGEDHM CC(F)(F)CCC([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845836669 631198297 /nfs/dbraw/zinc/19/82/97/631198297.db2.gz BMCQBUIMAIDERC-CYBMUJFWSA-N -1 3 305.324 3.432 20 30 DGEDHM C[C@@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1ccco1 ZINC000845841231 631198576 /nfs/dbraw/zinc/19/85/76/631198576.db2.gz LUAVMOMYUWVFPT-UKRRQHHQSA-N -1 3 307.349 3.393 20 30 DGEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1ccco1 ZINC000845841232 631198652 /nfs/dbraw/zinc/19/86/52/631198652.db2.gz LUAVMOMYUWVFPT-ZFWWWQNUSA-N -1 3 307.349 3.393 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1cccc(F)c1Br ZINC000846534106 631256112 /nfs/dbraw/zinc/25/61/12/631256112.db2.gz KZAOFTRRPJZKCS-UHFFFAOYSA-N -1 3 316.170 3.145 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000846537297 631257190 /nfs/dbraw/zinc/25/71/90/631257190.db2.gz FJFJBZHWEWIWGR-UHFFFAOYSA-N -1 3 300.358 3.288 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1ccc(OCCC)cc1 ZINC000846540643 631257329 /nfs/dbraw/zinc/25/73/29/631257329.db2.gz FGGISPALRRHQPH-UHFFFAOYSA-N -1 3 305.374 3.062 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCC(=O)c1ccc(OCCC)cc1 ZINC000846542334 631257810 /nfs/dbraw/zinc/25/78/10/631257810.db2.gz ZPCSUFPARHFYDO-ZDUSSCGKSA-N -1 3 305.374 3.061 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000846550985 631259047 /nfs/dbraw/zinc/25/90/47/631259047.db2.gz PMKBENFAQCLGBZ-JTQLQIEISA-N -1 3 303.280 3.140 20 30 DGEDHM O=c1oc2ccccc2n1CC/N=C/c1cc(Cl)ccc1[O-] ZINC000106586335 631343258 /nfs/dbraw/zinc/34/32/58/631343258.db2.gz KTXXJJCMZXROCX-VCHYOVAHSA-N -1 3 316.744 3.073 20 30 DGEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)C(C)C ZINC000846946892 631361178 /nfs/dbraw/zinc/36/11/78/631361178.db2.gz WFPZQYOGPZHPDA-ZDUSSCGKSA-N -1 3 310.344 3.230 20 30 DGEDHM C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000847743766 631530774 /nfs/dbraw/zinc/53/07/74/631530774.db2.gz HGJWZJMGTIPDRR-DIOULYMOSA-N -1 3 318.417 3.266 20 30 DGEDHM C#C[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000848280810 631639329 /nfs/dbraw/zinc/63/93/29/631639329.db2.gz NSFYRBQPXBEJIA-MRXNPFEDSA-N -1 3 319.404 3.468 20 30 DGEDHM CC[C@@H](Cc1ccc(F)cc1)/N=C/c1c([O-])c(C)ncc1CO ZINC000849170621 631852607 /nfs/dbraw/zinc/85/26/07/631852607.db2.gz RNKZSKUZLPLEEC-CTJICSLTSA-N -1 3 316.376 3.167 20 30 DGEDHM CC(C)=CCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000849663323 631929094 /nfs/dbraw/zinc/92/90/94/631929094.db2.gz QSUIISRABXVWQF-UHFFFAOYSA-N -1 3 302.374 3.108 20 30 DGEDHM COc1ccc(NN=Cc2ccc([O-])cn2)c(C(F)(F)F)c1 ZINC000793099779 661004865 /nfs/dbraw/zinc/00/48/65/661004865.db2.gz WYHSGNSRIRBBHU-UHFFFAOYSA-N -1 3 311.263 3.261 20 30 DGEDHM CC[C@H](C)CON=C(C)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000793145050 661007315 /nfs/dbraw/zinc/00/73/15/661007315.db2.gz HIDLJLJUFDZUTJ-AWEZNQCLSA-N -1 3 320.433 3.011 20 30 DGEDHM COc1cc(/C=C/C(=O)c2ccnc(F)c2)cc(Cl)c1[O-] ZINC000794722127 661101595 /nfs/dbraw/zinc/10/15/95/661101595.db2.gz OLZVGWOSCMLADH-NSCUHMNNSA-N -1 3 307.708 3.484 20 30 DGEDHM O=C1c2cccc(F)c2OC/C1=C\c1c(F)ccc([O-])c1F ZINC000794935385 661114725 /nfs/dbraw/zinc/11/47/25/661114725.db2.gz QMKRTUCCSUBFCC-SOFGYWHQSA-N -1 3 306.239 3.468 20 30 DGEDHM CCn1nc(C)c(C(=O)/C=C/c2c(F)ccc([O-])c2F)c1C ZINC000794935433 661114737 /nfs/dbraw/zinc/11/47/37/661114737.db2.gz RHJYMODHTMFKIP-FNORWQNLSA-N -1 3 306.312 3.400 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCc3ccc(F)cc32)c1[O-] ZINC000794833242 661108213 /nfs/dbraw/zinc/10/82/13/661108213.db2.gz MRCUGMXWHHDGET-AAWXNRKFSA-N -1 3 314.360 3.224 20 30 DGEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cccc([N+](=O)[O-])c1 ZINC000794926217 661114008 /nfs/dbraw/zinc/11/40/08/661114008.db2.gz JWFNRIKQHBMJOQ-GQCTYLIASA-N -1 3 305.236 3.475 20 30 DGEDHM CC(=[NH+][N-]c1cccc(F)n1)c1ccc(N2CCCC2)cc1[O-] ZINC000795006362 661120964 /nfs/dbraw/zinc/12/09/64/661120964.db2.gz NQFIJERZMRYJIU-UHFFFAOYSA-N -1 3 314.364 3.363 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\CCOc1ccc2c(c1)OCO2 ZINC000255015905 655561433 /nfs/dbraw/zinc/56/14/33/655561433.db2.gz GJDAACOTKFBDBL-NVMNQCDNSA-N -1 3 319.744 3.272 20 30 DGEDHM N#CC(=C([O-])C=CC1CCCCC1)c1nnc2n1CCCCC2 ZINC000255181811 655632263 /nfs/dbraw/zinc/63/22/63/655632263.db2.gz WWANAUKKIJIGMG-JQPIKURYSA-N -1 3 312.417 3.317 20 30 DGEDHM Cn1c(=O)oc2cc(N=Cc3cc(Cl)ccc3[O-])ccc21 ZINC000255311802 655697503 /nfs/dbraw/zinc/69/75/03/655697503.db2.gz KIIXETXCLQOBTH-UHFFFAOYSA-N -1 3 302.717 3.241 20 30 DGEDHM O=C1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CN1c1ccccc1 ZINC000255320267 655698940 /nfs/dbraw/zinc/69/89/40/655698940.db2.gz AGRJQKXKTCRILZ-SAGYFLTASA-N -1 3 314.772 3.270 20 30 DGEDHM C=CCCC[C@H](C)NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000935252076 655857413 /nfs/dbraw/zinc/85/74/13/655857413.db2.gz RRJUGRBQHGDQDN-JTQLQIEISA-N -1 3 320.339 3.281 20 30 DGEDHM COc1cc(C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1[O-] ZINC000005955753 656414493 /nfs/dbraw/zinc/41/44/93/656414493.db2.gz ZMQUJBYFGUNWFO-ZZXKWVIFSA-N -1 3 300.310 3.011 20 30 DGEDHM CCCCCCCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000126035445 656836559 /nfs/dbraw/zinc/83/65/59/656836559.db2.gz SSCDEDGZAZGFLS-UHFFFAOYSA-N -1 3 318.417 3.310 20 30 DGEDHM C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000968756512 657481239 /nfs/dbraw/zinc/48/12/39/657481239.db2.gz VLWMXIDYUQNXMH-CQSZACIVSA-N -1 3 322.836 3.119 20 30 DGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccsc1 ZINC000128958338 658809889 /nfs/dbraw/zinc/80/98/89/658809889.db2.gz KZSOTCAYLZWVKO-LBPRGKRZSA-N -1 3 314.366 3.108 20 30 DGEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000071068567 660105674 /nfs/dbraw/zinc/10/56/74/660105674.db2.gz REUPMSRVZJPKMF-HNNXBMFYSA-N -1 3 324.380 3.312 20 30 DGEDHM CCOc1cc(/C=C/C(=O)c2cn(C)nc2C)cc(Cl)c1[O-] ZINC000047380236 661876115 /nfs/dbraw/zinc/87/61/15/661876115.db2.gz WGDMOXHSFJLTAL-AATRIKPKSA-N -1 3 320.776 3.382 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588405909 1192445900 /nfs/dbraw/zinc/44/59/00/1192445900.db2.gz QMSPWBHZEQLQIB-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588405909 1192445905 /nfs/dbraw/zinc/44/59/05/1192445905.db2.gz QMSPWBHZEQLQIB-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588525615 1192449147 /nfs/dbraw/zinc/44/91/47/1192449147.db2.gz JPPXZKWUPVLRDL-LLVKDONJSA-N -1 3 311.389 3.285 20 30 DGEDHM C=C[C@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588525615 1192449151 /nfs/dbraw/zinc/44/91/51/1192449151.db2.gz JPPXZKWUPVLRDL-LLVKDONJSA-N -1 3 311.389 3.285 20 30 DGEDHM C=C[C@@](C)(CC)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588495398 1192449245 /nfs/dbraw/zinc/44/92/45/1192449245.db2.gz DHVAMKIDIWMGJZ-MQNTZWLQSA-N -1 3 312.373 3.025 20 30 DGEDHM C=C[C@@](C)(CC)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588495398 1192449246 /nfs/dbraw/zinc/44/92/46/1192449246.db2.gz DHVAMKIDIWMGJZ-MQNTZWLQSA-N -1 3 312.373 3.025 20 30 DGEDHM CC1CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC001590180157 1192492156 /nfs/dbraw/zinc/49/21/56/1192492156.db2.gz DNSGQMINULYPGF-UHFFFAOYSA-N -1 3 310.283 3.083 20 30 DGEDHM CC1CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001590180157 1192492161 /nfs/dbraw/zinc/49/21/61/1192492161.db2.gz DNSGQMINULYPGF-UHFFFAOYSA-N -1 3 310.283 3.083 20 30 DGEDHM CCC(=NNc1cccc(OC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359078 1192503448 /nfs/dbraw/zinc/50/34/48/1192503448.db2.gz MJKLPUMHWLWMAF-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CCC(=NNc1cccc(OC)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359078 1192503449 /nfs/dbraw/zinc/50/34/49/1192503449.db2.gz MJKLPUMHWLWMAF-UHFFFAOYSA-N -1 3 322.372 3.102 20 30 DGEDHM CC[C@@H]1CCC1N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001590509607 1192518416 /nfs/dbraw/zinc/51/84/16/1192518416.db2.gz UKWLIOKIUGJJJE-MRVPVSSYSA-N -1 3 324.310 3.473 20 30 DGEDHM CC[C@@H]1CCC1N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001590509607 1192518420 /nfs/dbraw/zinc/51/84/20/1192518420.db2.gz UKWLIOKIUGJJJE-MRVPVSSYSA-N -1 3 324.310 3.473 20 30 DGEDHM Cc1cc(-c2nnn[n-]2)cc(N[C@H](CCC#N)c2ccccc2)n1 ZINC001591857679 1192577130 /nfs/dbraw/zinc/57/71/30/1192577130.db2.gz JPHBZFSRIUYXKG-OAHLLOKOSA-N -1 3 319.372 3.027 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(N[C@H](CCC#N)c2ccccc2)n1 ZINC001591857679 1192577131 /nfs/dbraw/zinc/57/71/31/1192577131.db2.gz JPHBZFSRIUYXKG-OAHLLOKOSA-N -1 3 319.372 3.027 20 30 DGEDHM Cc1cc(Sc2c(C#N)cccc2C#N)ccc1-c1nnn[n-]1 ZINC001592068026 1192591757 /nfs/dbraw/zinc/59/17/57/1192591757.db2.gz LVIZVBGORGUEPH-UHFFFAOYSA-N -1 3 318.365 3.070 20 30 DGEDHM Cc1cc(Sc2c(C#N)cccc2C#N)ccc1-c1nn[n-]n1 ZINC001592068026 1192591761 /nfs/dbraw/zinc/59/17/61/1192591761.db2.gz LVIZVBGORGUEPH-UHFFFAOYSA-N -1 3 318.365 3.070 20 30 DGEDHM Cc1ccc(SCCc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1 ZINC001592198150 1192601457 /nfs/dbraw/zinc/60/14/57/1192601457.db2.gz NFVWRSMOYNOESA-UHFFFAOYSA-N -1 3 321.409 3.382 20 30 DGEDHM Cc1ccc(SCCc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1 ZINC001592198150 1192601467 /nfs/dbraw/zinc/60/14/67/1192601467.db2.gz NFVWRSMOYNOESA-UHFFFAOYSA-N -1 3 321.409 3.382 20 30 DGEDHM Fc1cc(Cl)cc(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC001592641430 1192621165 /nfs/dbraw/zinc/62/11/65/1192621165.db2.gz HSQAEPANUTUEQT-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM Fc1cc(Cl)cc(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC001592641430 1192621169 /nfs/dbraw/zinc/62/11/69/1192621169.db2.gz HSQAEPANUTUEQT-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#C[C@H](Cc1ccccc1)Sc1ccc(-c2nnn[n-]2)cc1 ZINC001592669777 1192626727 /nfs/dbraw/zinc/62/67/27/1192626727.db2.gz UGOJHCPQUCHTJY-HNNXBMFYSA-N -1 3 307.382 3.094 20 30 DGEDHM N#C[C@H](Cc1ccccc1)Sc1ccc(-c2nn[n-]n2)cc1 ZINC001592669777 1192626730 /nfs/dbraw/zinc/62/67/30/1192626730.db2.gz UGOJHCPQUCHTJY-HNNXBMFYSA-N -1 3 307.382 3.094 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC001592791216 1192627509 /nfs/dbraw/zinc/62/75/09/1192627509.db2.gz DZUAAUPDJOTGFE-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC001592791216 1192627513 /nfs/dbraw/zinc/62/75/13/1192627513.db2.gz DZUAAUPDJOTGFE-BAQGIRSFSA-N -1 3 312.279 3.041 20 30 DGEDHM c1ccc(C2CC(N=Nc3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC001593570996 1192636257 /nfs/dbraw/zinc/63/62/57/1192636257.db2.gz MNRQJDQEVGCYJZ-UHFFFAOYSA-N -1 3 304.357 3.212 20 30 DGEDHM c1ccc(C2CC(N=Nc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC001593570996 1192636261 /nfs/dbraw/zinc/63/62/61/1192636261.db2.gz MNRQJDQEVGCYJZ-UHFFFAOYSA-N -1 3 304.357 3.212 20 30 DGEDHM Cc1cc([C@H](NCc2ccc(F)c(C#N)c2)C(=O)[O-])ccc1F ZINC001600150499 1192796438 /nfs/dbraw/zinc/79/64/38/1192796438.db2.gz VBFLHQPIAVXLFW-INIZCTEOSA-N -1 3 316.307 3.060 20 30 DGEDHM Cc1sc(C(=O)[O-])cc1CN[C@H](C)c1cccc(C#N)c1 ZINC001600868621 1192906557 /nfs/dbraw/zinc/90/65/57/1192906557.db2.gz GPUOUDJYLRKZNV-SNVBAGLBSA-N -1 3 300.383 3.477 20 30 DGEDHM Cc1scc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC001600890221 1192908884 /nfs/dbraw/zinc/90/88/84/1192908884.db2.gz OSBRUWNKKOJMEW-OAHLLOKOSA-N -1 3 300.383 3.152 20 30 DGEDHM N#Cc1ccc([C@@H](N[C@@H]2CCCc3sccc32)C(=O)[O-])cc1 ZINC001601096490 1192918109 /nfs/dbraw/zinc/91/81/09/1192918109.db2.gz GGFBVVAXGZXZRF-GDBMZVCRSA-N -1 3 312.394 3.413 20 30 DGEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3cccc(F)n3)c2)o1 ZINC001344596375 1179456682 /nfs/dbraw/zinc/45/66/82/1179456682.db2.gz OHDCXKAUJHJJNC-CYBMUJFWSA-N -1 3 322.299 3.069 20 30 DGEDHM CCC(CC)n1nccc1C([O-])=C(C#N)c1cccc(F)n1 ZINC001347123538 1179780013 /nfs/dbraw/zinc/78/00/13/1179780013.db2.gz MKLBBJARZWKBPS-GFCCVEGCSA-N -1 3 300.337 3.268 20 30 DGEDHM C=C(C)CCN1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001602761203 1192996842 /nfs/dbraw/zinc/99/68/42/1192996842.db2.gz WVLDATLDSAPVBK-MRXNPFEDSA-N -1 3 322.836 3.050 20 30 DGEDHM C=C(C)CCC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC001602759500 1192997025 /nfs/dbraw/zinc/99/70/25/1192997025.db2.gz IKRYKHYAUYUCKX-UHFFFAOYSA-N -1 3 305.407 3.094 20 30 DGEDHM C=C(C)CCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC001602759500 1192997027 /nfs/dbraw/zinc/99/70/27/1192997027.db2.gz IKRYKHYAUYUCKX-UHFFFAOYSA-N -1 3 305.407 3.094 20 30 DGEDHM C=CC[C@@H](C)Sc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC001602812230 1192998167 /nfs/dbraw/zinc/99/81/67/1192998167.db2.gz YLYRDWSRWHLNJD-SECBINFHSA-N -1 3 301.419 3.116 20 30 DGEDHM C=CC[C@@H](C)Sc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC001602812230 1192998168 /nfs/dbraw/zinc/99/81/68/1192998168.db2.gz YLYRDWSRWHLNJD-SECBINFHSA-N -1 3 301.419 3.116 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602795951 1192998230 /nfs/dbraw/zinc/99/82/30/1192998230.db2.gz XIZFNTVUFGJZMK-KRWDZBQOSA-N -1 3 311.389 3.285 20 30 DGEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602795951 1192998233 /nfs/dbraw/zinc/99/82/33/1192998233.db2.gz XIZFNTVUFGJZMK-KRWDZBQOSA-N -1 3 311.389 3.285 20 30 DGEDHM C=CCCC[C@H](Nc1cc(-c2nnn[n-]2)cnn1)c1ccccc1 ZINC001602834384 1192999510 /nfs/dbraw/zinc/99/95/10/1192999510.db2.gz RLYJUGUBTISDJR-HNNXBMFYSA-N -1 3 321.388 3.166 20 30 DGEDHM C=CCCC[C@H](Nc1cc(-c2nn[n-]n2)cnn1)c1ccccc1 ZINC001602834384 1192999513 /nfs/dbraw/zinc/99/95/13/1192999513.db2.gz RLYJUGUBTISDJR-HNNXBMFYSA-N -1 3 321.388 3.166 20 30 DGEDHM C=CCc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001602876181 1193001034 /nfs/dbraw/zinc/00/10/34/1193001034.db2.gz SBVMQLRBTKFBAM-UHFFFAOYSA-N -1 3 310.332 3.313 20 30 DGEDHM C=CCc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001602876181 1193001039 /nfs/dbraw/zinc/00/10/39/1193001039.db2.gz SBVMQLRBTKFBAM-UHFFFAOYSA-N -1 3 310.332 3.313 20 30 DGEDHM C=CCSCc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001602871420 1193001338 /nfs/dbraw/zinc/00/13/38/1193001338.db2.gz WFMMBTXGUXZTQT-UHFFFAOYSA-N -1 3 300.309 3.305 20 30 DGEDHM C=CCSCc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001602871420 1193001341 /nfs/dbraw/zinc/00/13/41/1193001341.db2.gz WFMMBTXGUXZTQT-UHFFFAOYSA-N -1 3 300.309 3.305 20 30 DGEDHM CC(C)C[C@@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001603271550 1193012924 /nfs/dbraw/zinc/01/29/24/1193012924.db2.gz KCZMQAMPUGINBO-ZDUSSCGKSA-N -1 3 310.405 3.001 20 30 DGEDHM CC(C)C[C@@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001603271550 1193012926 /nfs/dbraw/zinc/01/29/26/1193012926.db2.gz KCZMQAMPUGINBO-ZDUSSCGKSA-N -1 3 310.405 3.001 20 30 DGEDHM C[C@@H]1C[C@H]1c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001603869870 1193036060 /nfs/dbraw/zinc/03/60/60/1193036060.db2.gz AMLFCJJAFDHZJN-QMTHXVAHSA-N -1 3 308.345 3.029 20 30 DGEDHM CC[C@@H]1CCCC[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604099126 1193051244 /nfs/dbraw/zinc/05/12/44/1193051244.db2.gz GQDNAXSSTAAFSI-TZMCWYRMSA-N -1 3 310.405 3.367 20 30 DGEDHM CC[C@@H]1CCCC[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604099126 1193051247 /nfs/dbraw/zinc/05/12/47/1193051247.db2.gz GQDNAXSSTAAFSI-TZMCWYRMSA-N -1 3 310.405 3.367 20 30 DGEDHM CCCCCCCC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001604175118 1193058234 /nfs/dbraw/zinc/05/82/34/1193058234.db2.gz AFTDPDBNEZGCBQ-UHFFFAOYSA-N -1 3 301.394 3.190 20 30 DGEDHM CCCCCCCC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001604175118 1193058238 /nfs/dbraw/zinc/05/82/38/1193058238.db2.gz AFTDPDBNEZGCBQ-UHFFFAOYSA-N -1 3 301.394 3.190 20 30 DGEDHM C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001604321442 1193065038 /nfs/dbraw/zinc/06/50/38/1193065038.db2.gz FAKIVKJQANCGCA-UONOGXRCSA-N -1 3 324.380 3.433 20 30 DGEDHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cc(Cl)cc(C#N)c1 ZINC001604651652 1193086104 /nfs/dbraw/zinc/08/61/04/1193086104.db2.gz BDMWVPNKLJIOHE-GNXNZQSNSA-N -1 3 306.793 3.285 20 30 DGEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001605382997 1193146232 /nfs/dbraw/zinc/14/62/32/1193146232.db2.gz VGCXIIKCWZYTKO-NYYWCZLTSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001605382997 1193146239 /nfs/dbraw/zinc/14/62/39/1193146239.db2.gz VGCXIIKCWZYTKO-NYYWCZLTSA-N -1 3 322.393 3.485 20 30 DGEDHM O=C(c1ccc2cnccc2n1)N([O-])Cc1ccccc1Cl ZINC001457991141 1182488828 /nfs/dbraw/zinc/48/88/28/1182488828.db2.gz AEMVSPBHWDJRNT-UHFFFAOYSA-N -1 3 313.744 3.315 20 30 DGEDHM Cn1nc(C(=O)N([O-])Cc2ccccc2Cl)c2ccccc21 ZINC001457996576 1182489015 /nfs/dbraw/zinc/48/90/15/1182489015.db2.gz ZVGKYCJDNRYNGX-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM COC(=O)c1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001458000445 1182489184 /nfs/dbraw/zinc/48/91/84/1182489184.db2.gz BBMPSEBXMKMEDJ-UHFFFAOYSA-N -1 3 319.744 3.158 20 30 DGEDHM Cc1cc(SCc2ccc(C#N)s2)ccc1-c1nnn[n-]1 ZINC001605755315 1193168683 /nfs/dbraw/zinc/16/86/83/1193168683.db2.gz PTWNHKMFQUYHMX-UHFFFAOYSA-N -1 3 313.411 3.401 20 30 DGEDHM Cc1cc(SCc2ccc(C#N)s2)ccc1-c1nn[n-]n1 ZINC001605755315 1193168688 /nfs/dbraw/zinc/16/86/88/1193168688.db2.gz PTWNHKMFQUYHMX-UHFFFAOYSA-N -1 3 313.411 3.401 20 30 DGEDHM CCc1ccc2c(c1)CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001605824679 1193176541 /nfs/dbraw/zinc/17/65/41/1193176541.db2.gz LWGWRELCTKIELS-IBGZPJMESA-N -1 3 320.392 3.305 20 30 DGEDHM Cc1ccc(F)cc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001605864302 1193180760 /nfs/dbraw/zinc/18/07/60/1193180760.db2.gz YFJUPGGPYMWQGD-VGOFMYFVSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc(F)cc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001605864302 1193180763 /nfs/dbraw/zinc/18/07/63/1193180763.db2.gz YFJUPGGPYMWQGD-VGOFMYFVSA-N -1 3 320.327 3.137 20 30 DGEDHM Fc1cc(Cl)cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001606310989 1193196825 /nfs/dbraw/zinc/19/68/25/1193196825.db2.gz DVMUNXRVUTVUNX-UHFFFAOYSA-N -1 3 316.727 3.105 20 30 DGEDHM N#CC1(CSCc2cc(Cl)cc(-c3nnn[n-]3)c2)CC1 ZINC001606342835 1193199223 /nfs/dbraw/zinc/19/92/23/1193199223.db2.gz COHBVBIVEIRYBK-UHFFFAOYSA-N -1 3 305.794 3.057 20 30 DGEDHM N#CC1(CSCc2cc(Cl)cc(-c3nn[n-]n3)c2)CC1 ZINC001606342835 1193199226 /nfs/dbraw/zinc/19/92/26/1193199226.db2.gz COHBVBIVEIRYBK-UHFFFAOYSA-N -1 3 305.794 3.057 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC001606482365 1193200264 /nfs/dbraw/zinc/20/02/64/1193200264.db2.gz MFZLMFIRJIYZSR-KMKOMSMNSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1 ZINC001606482365 1193200268 /nfs/dbraw/zinc/20/02/68/1193200268.db2.gz MFZLMFIRJIYZSR-KMKOMSMNSA-N -1 3 310.744 3.416 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H]1c1ccsc1 ZINC001606380919 1193200389 /nfs/dbraw/zinc/20/03/89/1193200389.db2.gz GQFMCOVHAAOORO-AWEZNQCLSA-N -1 3 322.397 3.141 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H]1c1ccsc1 ZINC001606380919 1193200391 /nfs/dbraw/zinc/20/03/91/1193200391.db2.gz GQFMCOVHAAOORO-AWEZNQCLSA-N -1 3 322.397 3.141 20 30 DGEDHM C#C[C@H](CC)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001467771269 1183288064 /nfs/dbraw/zinc/28/80/64/1183288064.db2.gz QTUMOOHUNNNXJU-QGZVFWFLSA-N -1 3 307.393 3.319 20 30 DGEDHM COc1ccc2cc(CN3CCC(C#N)(C(=O)[O-])CC3)ccc2c1 ZINC001607301789 1193223256 /nfs/dbraw/zinc/22/32/56/1193223256.db2.gz CIGZYYKJLYUZCM-UHFFFAOYSA-N -1 3 324.380 3.039 20 30 DGEDHM N#Cc1cccc(O[N-]C(=O)CCc2ccc(Cl)c(F)c2)c1 ZINC001471085788 1183537035 /nfs/dbraw/zinc/53/70/35/1183537035.db2.gz KSGIWUIRZJGSJK-UHFFFAOYSA-N -1 3 318.735 3.394 20 30 DGEDHM CCCCCCCCC[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC001653454687 1195722626 /nfs/dbraw/zinc/72/26/26/1195722626.db2.gz OCTILNBMYGPCFB-UHFFFAOYSA-N -1 3 307.847 3.092 20 30 DGEDHM CCCCN([O-])C(=O)COc1ccc(Br)c(C)c1 ZINC001472620393 1183656414 /nfs/dbraw/zinc/65/64/14/1183656414.db2.gz ACQACOBMTYERNK-UHFFFAOYSA-N -1 3 316.195 3.154 20 30 DGEDHM CCCCN([O-])C(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC001472620689 1183657088 /nfs/dbraw/zinc/65/70/88/1183657088.db2.gz MGUBVPHKTCAUSC-OAHLLOKOSA-N -1 3 310.781 3.241 20 30 DGEDHM CCCCCCN([O-])C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001472621205 1183658571 /nfs/dbraw/zinc/65/85/71/1183658571.db2.gz KXTSNIRRMDOWGE-UHFFFAOYSA-N -1 3 312.373 3.156 20 30 DGEDHM O=C(c1cnnc(-c2ccccc2)c1)N([O-])Cc1ccc(F)cc1 ZINC001472622484 1183658574 /nfs/dbraw/zinc/65/85/74/1183658574.db2.gz LPZKRRFWCPWUPJ-UHFFFAOYSA-N -1 3 323.327 3.314 20 30 DGEDHM Cc1cc(F)ccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001607666708 1193246867 /nfs/dbraw/zinc/24/68/67/1193246867.db2.gz PZXZXVVWXLYROS-PXAZEXFGSA-N -1 3 312.344 3.482 20 30 DGEDHM C#CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001478245156 1184137630 /nfs/dbraw/zinc/13/76/30/1184137630.db2.gz HLRRTXBXZXDTCM-MRXNPFEDSA-N -1 3 312.344 3.095 20 30 DGEDHM C=C(C)C(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001609051009 1193322614 /nfs/dbraw/zinc/32/26/14/1193322614.db2.gz LIXOPMNNBZTJSD-UHFFFAOYSA-N -1 3 320.780 3.166 20 30 DGEDHM C=C(C)C(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001609051009 1193322616 /nfs/dbraw/zinc/32/26/16/1193322616.db2.gz LIXOPMNNBZTJSD-UHFFFAOYSA-N -1 3 320.780 3.166 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccccc2F)ccc1-c1nnn[n-]1 ZINC001609399905 1193336760 /nfs/dbraw/zinc/33/67/60/1193336760.db2.gz TUWFHOWWVSADKL-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccccc2F)ccc1-c1nn[n-]n1 ZINC001609399905 1193336763 /nfs/dbraw/zinc/33/67/63/1193336763.db2.gz TUWFHOWWVSADKL-CLFYSBASSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(CC[C@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)o1 ZINC001609422894 1193337790 /nfs/dbraw/zinc/33/77/90/1193337790.db2.gz FKPPCRVZBSMFOQ-NSHDSACASA-N -1 3 322.372 3.073 20 30 DGEDHM Cc1ccc(CC[C@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)o1 ZINC001609422894 1193337793 /nfs/dbraw/zinc/33/77/93/1193337793.db2.gz FKPPCRVZBSMFOQ-NSHDSACASA-N -1 3 322.372 3.073 20 30 DGEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccccc1-c1nnn[n-]1 ZINC001609517904 1193343378 /nfs/dbraw/zinc/34/33/78/1193343378.db2.gz UJRHRBPFYOCHMC-YFHOEESVSA-N -1 3 310.744 3.416 20 30 DGEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccccc1-c1nn[n-]n1 ZINC001609517904 1193343381 /nfs/dbraw/zinc/34/33/81/1193343381.db2.gz UJRHRBPFYOCHMC-YFHOEESVSA-N -1 3 310.744 3.416 20 30 DGEDHM N#Cc1cccc([C@H](N[C@H]2CCCc3c(F)cccc32)C(=O)[O-])c1 ZINC001610630572 1193401836 /nfs/dbraw/zinc/40/18/36/1193401836.db2.gz UYIKIAHITHXXCV-ROUUACIJSA-N -1 3 324.355 3.490 20 30 DGEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2Cc3ccccc3C3(CC3)C2)c1 ZINC001610630149 1193401888 /nfs/dbraw/zinc/40/18/88/1193401888.db2.gz KILFXIYCTSBYCT-SFHVURJKSA-N -1 3 318.376 3.231 20 30 DGEDHM N#Cc1ccsc1C(=O)N([O-])CCCCc1ccccc1 ZINC001611653114 1193439042 /nfs/dbraw/zinc/43/90/42/1193439042.db2.gz DHTSSYMDZITSBW-UHFFFAOYSA-N -1 3 300.383 3.474 20 30 DGEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)c2nccn2c1 ZINC001611650644 1193439046 /nfs/dbraw/zinc/43/90/46/1193439046.db2.gz FEJZNWOTKQPCOJ-UHFFFAOYSA-N -1 3 315.760 3.328 20 30 DGEDHM CCCCCCN([O-])C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC001611655402 1193439137 /nfs/dbraw/zinc/43/91/37/1193439137.db2.gz BODYOHBURCZBCX-UHFFFAOYSA-N -1 3 324.396 3.134 20 30 DGEDHM CCCCN([O-])C(=O)CCc1ccc(Br)cc1 ZINC001611657641 1193439271 /nfs/dbraw/zinc/43/92/71/1193439271.db2.gz BAJCMNMDOQKWEN-UHFFFAOYSA-N -1 3 300.196 3.400 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](CC)NC(=O)OC(C)(C)C ZINC001611655927 1193439322 /nfs/dbraw/zinc/43/93/22/1193439322.db2.gz YGYGTRZGXKXJBT-GFCCVEGCSA-N -1 3 302.415 3.088 20 30 DGEDHM Cc1nsc([N-]C(=O)c2cc3c(ccnc3Cl)o2)c1C#N ZINC001518994339 1186860271 /nfs/dbraw/zinc/86/02/71/1186860271.db2.gz DDWWLEFYKBNCQG-UHFFFAOYSA-N -1 3 318.745 3.370 20 30 DGEDHM Cc1csc([N-]C(=O)c2ncnc3ccsc32)c1C#N ZINC001525675151 1187326540 /nfs/dbraw/zinc/32/65/40/1187326540.db2.gz SNDONFGIRJGJAL-UHFFFAOYSA-N -1 3 300.368 3.185 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(C(F)F)cc1F ZINC001526587433 1187376846 /nfs/dbraw/zinc/37/68/46/1187376846.db2.gz PQJLXNGLSNHNOU-LLVKDONJSA-N -1 3 307.275 3.470 20 30 DGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)s1 ZINC001529404785 1187556340 /nfs/dbraw/zinc/55/63/40/1187556340.db2.gz NMSMYHJFLIZAJX-UHFFFAOYSA-N -1 3 310.300 3.167 20 30 DGEDHM C#Cc1cccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001540260612 1188227066 /nfs/dbraw/zinc/22/70/66/1188227066.db2.gz ZJIWIWASRSEGKC-UHFFFAOYSA-N -1 3 324.286 3.040 20 30 DGEDHM N#Cc1ccc(OCC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001559034055 1189163513 /nfs/dbraw/zinc/16/35/13/1189163513.db2.gz KUUOYVAUXCVVSI-UHFFFAOYSA-N -1 3 324.380 3.178 20 30 DGEDHM Cn1cnc2cccc(C(=O)N([O-])Cc3ccccc3Cl)c21 ZINC001559033367 1189163571 /nfs/dbraw/zinc/16/35/71/1189163571.db2.gz GIRVNAJJDLIGIT-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM C=C1CCC(C[N-]S(=O)(=O)c2cc(C)cnc2Cl)CC1 ZINC001561905516 1189465996 /nfs/dbraw/zinc/46/59/96/1189465996.db2.gz RJCYWPYCHWMZFV-UHFFFAOYSA-N -1 3 314.838 3.068 20 30 DGEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000035083689 1193742848 /nfs/dbraw/zinc/74/28/48/1193742848.db2.gz RUMJKRAGKTVADU-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM CC(=O)c1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1[O-] ZINC001628957200 1194205931 /nfs/dbraw/zinc/20/59/31/1194205931.db2.gz SIGBZLZVVSYDGN-OAHLLOKOSA-N -1 3 322.364 3.306 20 30 DGEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001629243091 1194221875 /nfs/dbraw/zinc/22/18/75/1194221875.db2.gz XOSBZOPSDVBYEM-BBRMVZONSA-N -1 3 301.386 3.460 20 30 DGEDHM C#CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC001632034380 1194368928 /nfs/dbraw/zinc/36/89/28/1194368928.db2.gz CDMBZKOVDZYQMP-KRWDZBQOSA-N -1 3 307.349 3.089 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC001639072191 1194749870 /nfs/dbraw/zinc/74/98/70/1194749870.db2.gz XTEMEINFTXTYRE-OAHLLOKOSA-N -1 3 310.825 3.322 20 30 DGEDHM CO/C(=C/c1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001639078241 1194749927 /nfs/dbraw/zinc/74/99/27/1194749927.db2.gz FJRDAQAMVGMGQF-LFIBNONCSA-N -1 3 301.317 3.231 20 30 DGEDHM C#Cc1cncc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001639074793 1194749988 /nfs/dbraw/zinc/74/99/88/1194749988.db2.gz DXBYHFQLGREBHT-UHFFFAOYSA-N -1 3 302.333 3.248 20 30 DGEDHM CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1[O-] ZINC001639667210 1194776189 /nfs/dbraw/zinc/77/61/89/1194776189.db2.gz CYSDKTKUTSQXHT-GFCCVEGCSA-N -1 3 322.364 3.300 20 30 DGEDHM C=CCCCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001643497710 1195029974 /nfs/dbraw/zinc/02/99/74/1195029974.db2.gz YZHVVAHPVDFCEK-CYBMUJFWSA-N -1 3 312.335 3.062 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(Br)cc1Cl ZINC001644319665 1195100600 /nfs/dbraw/zinc/10/06/00/1195100600.db2.gz IDKJXWIWJLXKNF-UHFFFAOYSA-N -1 3 318.598 3.269 20 30 DGEDHM CCc1cccc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc32)c1[O-] ZINC001644426000 1195108228 /nfs/dbraw/zinc/10/82/28/1195108228.db2.gz VMWXPNXZDAAMBK-UHFFFAOYSA-N -1 3 320.352 3.263 20 30 DGEDHM CSc1ccc(/C=C/C(=O)[N-]Oc2cccc(C#N)c2)s1 ZINC001648729575 1195326468 /nfs/dbraw/zinc/32/64/68/1195326468.db2.gz SIYHFNCZOBQUJK-FNORWQNLSA-N -1 3 316.407 3.465 20 30 DGEDHM N#Cc1cnc(NCc2ccc([O-])c(F)c2)c(Br)c1 ZINC001650781818 1195382542 /nfs/dbraw/zinc/38/25/42/1195382542.db2.gz MDKPRNGIUCBQNI-UHFFFAOYSA-N -1 3 322.137 3.173 20 30 DGEDHM COc1cccc2c1[C@H](C(=O)N([O-])Cc1ccc(F)cc1)CC2 ZINC001651238307 1195431478 /nfs/dbraw/zinc/43/14/78/1195431478.db2.gz WMDPTBKBITUCIO-OAHLLOKOSA-N -1 3 315.344 3.282 20 30 DGEDHM Cc1cccc2c1[n-]cc(C(=O)Nc1ccc(F)c(C#N)c1)c2=O ZINC001654283331 1195790261 /nfs/dbraw/zinc/79/02/61/1195790261.db2.gz MSNDXTGSHVOKQF-UHFFFAOYSA-N -1 3 321.311 3.100 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC001654822216 1195843864 /nfs/dbraw/zinc/84/38/64/1195843864.db2.gz XQLBAYRWZLXNFM-HZSPNIEDSA-N -1 3 324.218 3.353 20 30 DGEDHM C#Cc1ccc(C(=O)N([O-])Cc2cccc3ccccc32)nc1 ZINC001654826207 1195845602 /nfs/dbraw/zinc/84/56/02/1195845602.db2.gz PXEPJPDOHKTYAV-UHFFFAOYSA-N -1 3 302.333 3.248 20 30 DGEDHM Cn1c(Cl)ncc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001654825945 1195845765 /nfs/dbraw/zinc/84/57/65/1195845765.db2.gz IKQUPPJDOSUJJN-UHFFFAOYSA-N -1 3 315.760 3.258 20 30 DGEDHM C=CCn1c(SCc2nc3cc(C)ccc3s2)n[n-]c1=O ZINC001656378498 1196033909 /nfs/dbraw/zinc/03/39/09/1196033909.db2.gz RQVRQBATAFMUNQ-UHFFFAOYSA-N -1 3 318.427 3.380 20 30 DGEDHM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1cscn1 ZINC001659661848 1196403472 /nfs/dbraw/zinc/40/34/72/1196403472.db2.gz IKNMGCIGTZSSFS-LBPRGKRZSA-N -1 3 304.481 3.418 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC001667291513 1197335317 /nfs/dbraw/zinc/33/53/17/1197335317.db2.gz XSFMGOBSYIUNNE-LLVKDONJSA-N -1 3 303.387 3.362 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001669397983 1197452772 /nfs/dbraw/zinc/45/27/72/1197452772.db2.gz ANMHJKWRKIHXIL-UHFFFAOYSA-N -1 3 303.374 3.154 20 30 DGEDHM CCOC(=O)c1c(C)nsc1[N-]c1ccc(C#N)cc1F ZINC000147225556 1202587925 /nfs/dbraw/zinc/58/79/25/1202587925.db2.gz LLISXIVHOSKRHA-UHFFFAOYSA-N -1 3 305.334 3.383 20 30 DGEDHM C=CCCCN(CC)c1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001573334439 947453415 /nfs/dbraw/zinc/45/34/15/947453415.db2.gz CYNUTLVCTIDTSZ-UHFFFAOYSA-N -1 3 314.418 3.269 20 30 DGEDHM C=CCCCN(CC)c1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001573334439 947453418 /nfs/dbraw/zinc/45/34/18/947453418.db2.gz CYNUTLVCTIDTSZ-UHFFFAOYSA-N -1 3 314.418 3.269 20 30 DGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC1(C(=O)[O-])CCC1 ZINC001574474578 961641249 /nfs/dbraw/zinc/64/12/49/961641249.db2.gz PUJWIHFRQSJTDH-DLBZAZTESA-N -1 3 312.413 3.403 20 30 DGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC1(C(=O)[O-])CCC1 ZINC001574474589 961641313 /nfs/dbraw/zinc/64/13/13/961641313.db2.gz PUJWIHFRQSJTDH-IRXDYDNUSA-N -1 3 312.413 3.403 20 30 DGEDHM CC[C@@](C)(C(=O)[O-])N(CC#Cc1ccc(F)cc1)CC1CC1 ZINC001594778561 981778835 /nfs/dbraw/zinc/77/88/35/981778835.db2.gz VJYOWEFXGCQYRL-SFHVURJKSA-N -1 3 303.377 3.143 20 30 DGEDHM C=C[C@H](N[C@H](C)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC001588702709 983921610 /nfs/dbraw/zinc/92/16/10/983921610.db2.gz WIXBKVRZMMBXRE-XCBNKYQSSA-N -1 3 305.708 3.231 20 30 DGEDHM CC(C)(C)c1ccncc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001590515436 990125866 /nfs/dbraw/zinc/12/58/66/990125866.db2.gz KYGQWYHSWAYZMT-QGZVFWFLSA-N -1 3 323.396 3.166 20 30 DGEDHM COc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C ZINC001599620264 994071189 /nfs/dbraw/zinc/07/11/89/994071189.db2.gz CSALWQYTWRCPGS-UGSOOPFHSA-N -1 3 324.380 3.352 20 30 DGEDHM COc1cccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001599656380 994587628 /nfs/dbraw/zinc/58/76/28/994587628.db2.gz GJBKEDAUBODXQN-YVEFUNNKSA-N -1 3 310.353 3.043 20 30 DGEDHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1CC#Cc1ccc(Cl)cc1 ZINC001594208004 998804454 /nfs/dbraw/zinc/80/44/54/998804454.db2.gz OEPPMCYFSVIAGO-AGGWBTHJSA-N -1 3 305.805 3.265 20 30 DGEDHM N#Cc1cc(NC(=O)C[C@@H]2CCc3ccc(F)cc32)ccc1[O-] ZINC001182590148 1083757986 /nfs/dbraw/zinc/75/79/86/1083757986.db2.gz BZJHLPVFEQIWCS-LBPRGKRZSA-N -1 3 310.328 3.462 20 30 DGEDHM N#Cc1cc(NC(=O)[C@H]2CC23CCC(F)(F)CC3)ccc1[O-] ZINC001183582151 1083980181 /nfs/dbraw/zinc/98/01/81/1083980181.db2.gz NMVCBXJEQRKYDL-GFCCVEGCSA-N -1 3 306.312 3.418 20 30 DGEDHM COc1cccc(C(=O)N([O-])Cc2ccccc2Cl)c1OC ZINC001184272496 1084131506 /nfs/dbraw/zinc/13/15/06/1084131506.db2.gz INDIWXDOUMPXGE-UHFFFAOYSA-N -1 3 321.760 3.389 20 30 DGEDHM CCCC#CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001184273625 1084131813 /nfs/dbraw/zinc/13/18/13/1084131813.db2.gz ULYIZFIOGMELRV-UHFFFAOYSA-N -1 3 303.358 3.090 20 30 DGEDHM CCCCCCC[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185079684 1084347152 /nfs/dbraw/zinc/34/71/52/1084347152.db2.gz BHJRETXBNJVQJB-LLVKDONJSA-N -1 3 319.858 3.157 20 30 DGEDHM N#Cc1sccc1[N-]C(=O)c1cc(F)ncc1C(F)(F)F ZINC001185708891 1084518643 /nfs/dbraw/zinc/51/86/43/1084518643.db2.gz TWYBVMXVXICCQV-UHFFFAOYSA-N -1 3 315.251 3.425 20 30 DGEDHM N#Cc1cc(NC(=O)C2CC(Oc3ccccc3)C2)ccc1[O-] ZINC001186869905 1084710693 /nfs/dbraw/zinc/71/06/93/1084710693.db2.gz SEANXNPSJZZKQI-UHFFFAOYSA-N -1 3 308.337 3.060 20 30 DGEDHM COc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)cc2[nH]ccc21 ZINC001154821300 1088777346 /nfs/dbraw/zinc/77/73/46/1088777346.db2.gz FFLNNEGGJPCWGK-UHFFFAOYSA-N -1 3 307.309 3.006 20 30 DGEDHM N#Cc1ccc(F)c(F)c1NC(=O)c1cc([O-])cc2[nH]ccc21 ZINC001155964876 1089319690 /nfs/dbraw/zinc/31/96/90/1089319690.db2.gz YCKDCZHROBUPNF-UHFFFAOYSA-N -1 3 313.263 3.276 20 30 DGEDHM COC(=O)c1cc(C(=O)N([O-])Cc2ccccc2Cl)c(C)o1 ZINC001161807913 1089415264 /nfs/dbraw/zinc/41/52/64/1089415264.db2.gz RJTMRMJBAKJERK-UHFFFAOYSA-N -1 3 323.732 3.060 20 30 DGEDHM CC(=O)Nc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC001161843021 1089437297 /nfs/dbraw/zinc/43/72/97/1089437297.db2.gz XOLCYHCLQJWLPD-UHFFFAOYSA-N -1 3 316.332 3.124 20 30 DGEDHM C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001157568229 1090033679 /nfs/dbraw/zinc/03/36/79/1090033679.db2.gz MLDSJYXUGPPQSG-CQSZACIVSA-N -1 3 322.836 3.071 20 30 DGEDHM N#Cc1ccc([N+](=O)[O-])c(NCCc2c(F)cc([O-])cc2F)c1 ZINC001164211924 1090372621 /nfs/dbraw/zinc/37/26/21/1090372621.db2.gz GXTOFVUTKGQCFC-UHFFFAOYSA-N -1 3 319.267 3.105 20 30 DGEDHM Cc1ccc(NC(C)(C)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC001165792070 1090549158 /nfs/dbraw/zinc/54/91/58/1090549158.db2.gz FYNTWPYZNKDSJT-UHFFFAOYSA-N -1 3 318.384 3.394 20 30 DGEDHM Cc1ccc(NC(C)(C)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC001165792070 1090549161 /nfs/dbraw/zinc/54/91/61/1090549161.db2.gz FYNTWPYZNKDSJT-UHFFFAOYSA-N -1 3 318.384 3.394 20 30 DGEDHM COC(=O)c1cc(C#N)cnc1-c1ccc([O-])cc1C(F)(F)F ZINC001205080276 1091096193 /nfs/dbraw/zinc/09/61/93/1091096193.db2.gz QXVSXVABJNTQAY-UHFFFAOYSA-N -1 3 322.242 3.131 20 30 DGEDHM C=C(Cl)C[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC001293720389 1091288045 /nfs/dbraw/zinc/28/80/45/1091288045.db2.gz PDMMKPOCVWFBGF-UHFFFAOYSA-N -1 3 324.552 3.410 20 30 DGEDHM N#C[C@H]1CCCN(Cc2cccc([O-])c2Br)CC1 ZINC001140551233 1091906160 /nfs/dbraw/zinc/90/61/60/1091906160.db2.gz WTRUBONTTHBUTF-NSHDSACASA-N -1 3 309.207 3.280 20 30 DGEDHM CC(=O)c1cccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1[O-] ZINC001298748761 1092101015 /nfs/dbraw/zinc/10/10/15/1092101015.db2.gz HJAZIWUIOUBCET-GFCCVEGCSA-N -1 3 322.364 3.284 20 30 DGEDHM N#Cc1cc(NC(=O)c2cc3cc(Cl)cnc3[nH]2)ccc1[O-] ZINC001151302563 1092884554 /nfs/dbraw/zinc/88/45/54/1092884554.db2.gz AVFZVQRCUYWMKW-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM COc1cc(Br)c([O-])c(Nc2cncc(C#N)c2)c1 ZINC001210086475 1093038615 /nfs/dbraw/zinc/03/86/15/1093038615.db2.gz JYCJTUBQLZJYCI-UHFFFAOYSA-N -1 3 320.146 3.174 20 30 DGEDHM COC(=O)c1cc([O-])c(F)cc1Nc1cc(C#N)ccc1C ZINC001210502016 1093190403 /nfs/dbraw/zinc/19/04/03/1093190403.db2.gz CQRDTCPTCKVIPL-UHFFFAOYSA-N -1 3 300.289 3.242 20 30 DGEDHM Cc1cc(Nc2ncc(Br)cc2[O-])ccc1C#N ZINC001210803336 1093285968 /nfs/dbraw/zinc/28/59/68/1093285968.db2.gz PJJFFDHLLRZIAS-UHFFFAOYSA-N -1 3 304.147 3.473 20 30 DGEDHM CCOC(=O)c1c(C)oc(Nc2cc(F)c([O-])c(F)c2)c1C#N ZINC001213374826 1093574437 /nfs/dbraw/zinc/57/44/37/1093574437.db2.gz BACXMBCGQCYAEP-UHFFFAOYSA-N -1 3 322.267 3.364 20 30 DGEDHM COC(=O)c1c(F)cc(Nc2cc(C#N)ccc2[O-])cc1F ZINC001214723724 1093841155 /nfs/dbraw/zinc/84/11/55/1093841155.db2.gz HSZHPCUYJAMCPT-UHFFFAOYSA-N -1 3 304.252 3.072 20 30 DGEDHM COc1ncc(Nc2cccc(Br)c2C#N)cc1[O-] ZINC001216209485 1094147699 /nfs/dbraw/zinc/14/76/99/1094147699.db2.gz CZEWIHGSHCDSDS-UHFFFAOYSA-N -1 3 320.146 3.174 20 30 DGEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CCCF)n2C)c1[O-] ZINC001121438443 1094687918 /nfs/dbraw/zinc/68/79/18/1094687918.db2.gz KAOLQMZFWWVMSJ-UHFFFAOYSA-N -1 3 318.396 3.102 20 30 DGEDHM CCC[C@@H]1CCCC[C@@H]1/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001338651004 1095351768 /nfs/dbraw/zinc/35/17/68/1095351768.db2.gz HFDLSITWIMGDLT-OCCSQVGLSA-N -1 3 306.431 3.084 20 30 DGEDHM C=C1CCC(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])CC1 ZINC001137939778 1095796772 /nfs/dbraw/zinc/79/67/72/1095796772.db2.gz RDCDLWMMXNDCMM-UHFFFAOYSA-N -1 3 303.358 3.254 20 30 DGEDHM COC(=O)c1cccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)c1 ZINC001340356442 1095938668 /nfs/dbraw/zinc/93/86/68/1095938668.db2.gz HJNMWLFWXFWTJN-SOFGYWHQSA-N -1 3 312.321 3.084 20 30 DGEDHM C=C(C)Cc1cccc(-c2nnc(N3CCCC3)n2CC)c1[O-] ZINC001341194922 1096132617 /nfs/dbraw/zinc/13/26/17/1096132617.db2.gz BQHYTKJFPNPYIL-UHFFFAOYSA-N -1 3 312.417 3.389 20 30 DGEDHM COc1cccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)c1[O-] ZINC001148196200 1096319194 /nfs/dbraw/zinc/31/91/94/1096319194.db2.gz VHGVAZAGJVVERN-UHFFFAOYSA-N -1 3 313.357 3.081 20 30 DGEDHM CC(=O)c1cc(C(=O)Nc2ccc3c(C#N)c[nH]c3c2)ccc1[O-] ZINC001148664436 1096424271 /nfs/dbraw/zinc/42/42/71/1096424271.db2.gz MYBDOTWTMFKJNG-UHFFFAOYSA-N -1 3 319.320 3.200 20 30 DGEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[n-]c(=O)ncc2C(=O)OCC)C1 ZINC001225899980 1096558817 /nfs/dbraw/zinc/55/88/17/1096558817.db2.gz WFQKIPVZZGXQQE-JSGCOSHPSA-N -1 3 318.373 3.039 20 30 DGEDHM CCCCOC[C@H](C)OC[C@@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226116809 1096616595 /nfs/dbraw/zinc/61/65/95/1096616595.db2.gz URTUGAIGNUQICK-WCOBSMKMSA-N -1 3 309.406 3.484 20 30 DGEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=S)ncc1C1CC1 ZINC001226116481 1096617294 /nfs/dbraw/zinc/61/72/94/1096617294.db2.gz CUBHFIHCTOAROQ-LLVKDONJSA-N -1 3 322.430 3.308 20 30 DGEDHM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCCN(CC)C1 ZINC001227120010 1096873548 /nfs/dbraw/zinc/87/35/48/1096873548.db2.gz CRTCGQCRKHOPDY-CQSZACIVSA-N -1 3 303.402 3.186 20 30 DGEDHM CCC[C@@H](C#Cc1ccccc1)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227617079 1096962247 /nfs/dbraw/zinc/96/22/47/1096962247.db2.gz ZLSZEIRXBXWCPM-ZDUSSCGKSA-N -1 3 324.409 3.241 20 30 DGEDHM C[C@H](C#C[Si](C)(C)C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743538 1096979846 /nfs/dbraw/zinc/97/98/46/1096979846.db2.gz SEKAMIUSJCWJQK-SNVBAGLBSA-N -1 3 303.394 3.119 20 30 DGEDHM C[C@H](C#C[Si](C)(C)C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743538 1096979848 /nfs/dbraw/zinc/97/98/48/1096979848.db2.gz SEKAMIUSJCWJQK-SNVBAGLBSA-N -1 3 303.394 3.119 20 30 DGEDHM C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc(C(=O)OC)ccc2[O-])C1 ZINC001227820665 1096994391 /nfs/dbraw/zinc/99/43/91/1096994391.db2.gz YTIUHDWOLPZJJB-WFASDCNBSA-N -1 3 303.358 3.254 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](Oc2[n-]c(=O)nc3cccnc32)C(C)(C)O1 ZINC001228005343 1097030531 /nfs/dbraw/zinc/03/05/31/1097030531.db2.gz PKKYHMCSXGTEGC-SJKOYZFVSA-N -1 3 315.373 3.012 20 30 DGEDHM C=C[C@]1(C)CC[C@H](C(C)(C)Oc2[n-]c(=O)nc3cccnc32)O1 ZINC001228008661 1097031722 /nfs/dbraw/zinc/03/17/22/1097031722.db2.gz PXXBKKPWAHRYKI-SJKOYZFVSA-N -1 3 315.373 3.012 20 30 DGEDHM O=C1OCC[C@H]1Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228122358 1097055645 /nfs/dbraw/zinc/05/56/45/1097055645.db2.gz BXKFBFRGRQKXKF-QGZVFWFLSA-N -1 3 324.336 3.191 20 30 DGEDHM C=C[C@@]1(C)CC[C@@H](C(C)(C)Oc2n[n-]c(-c3ccncc3)n2)O1 ZINC001228696871 1097170737 /nfs/dbraw/zinc/17/07/37/1097170737.db2.gz CWDZDOMHSPNEEZ-GUYCJALGSA-N -1 3 314.389 3.148 20 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DGEDHM N#Cc1ccc(Cl)cc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195415308 1101130967 /nfs/dbraw/zinc/13/09/67/1101130967.db2.gz CFBZJDYOUAPXNT-UHFFFAOYSA-N -1 3 315.785 3.338 20 30 DGEDHM Cc1c(C#N)c(-c2ccc(-c3nnn[n-]3)cc2)nc2ccccc12 ZINC001241443329 1101463328 /nfs/dbraw/zinc/46/33/28/1101463328.db2.gz AHAKWLKJJCTJQL-UHFFFAOYSA-N -1 3 312.336 3.262 20 30 DGEDHM Cc1c(C#N)c(-c2ccc(-c3nn[n-]n3)cc2)nc2ccccc12 ZINC001241443329 1101463335 /nfs/dbraw/zinc/46/33/35/1101463335.db2.gz AHAKWLKJJCTJQL-UHFFFAOYSA-N -1 3 312.336 3.262 20 30 DGEDHM COc1cc([O-])ccc1C(=O)Nc1c(C#N)oc2ccccc21 ZINC001197155044 1101490783 /nfs/dbraw/zinc/49/07/83/1101490783.db2.gz WVGDVVVKKWZSRY-UHFFFAOYSA-N -1 3 308.293 3.271 20 30 DGEDHM Cc1nc(C#N)c([N-]C(=O)c2cc(-c3ccccc3)cnc2F)o1 ZINC001199727816 1102195242 /nfs/dbraw/zinc/19/52/42/1102195242.db2.gz GVQJJPOTWOVHLD-UHFFFAOYSA-N -1 3 322.299 3.308 20 30 DGEDHM CCOC(=O)c1cc(-c2ccc([O-])c(C#N)c2)cc2c1OCC2 ZINC001242565918 1102214121 /nfs/dbraw/zinc/21/41/21/1102214121.db2.gz 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/nfs/dbraw/zinc/56/51/63/1106565163.db2.gz CYLDREAXGYYYPR-UHFFFAOYSA-N -1 3 321.229 3.354 20 30 DGEDHM COc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC001258126749 1106678247 /nfs/dbraw/zinc/67/82/47/1106678247.db2.gz YBAWGDZFCHDKIN-UHFFFAOYSA-N -1 3 322.773 3.021 20 30 DGEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC001258897997 1107046028 /nfs/dbraw/zinc/04/60/28/1107046028.db2.gz VVGCZQMGLAYXKH-GFCCVEGCSA-N -1 3 306.214 3.074 20 30 DGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)cc1C ZINC001259168230 1107090966 /nfs/dbraw/zinc/09/09/66/1107090966.db2.gz WPQBCJVXZWMHLD-UHFFFAOYSA-N -1 3 318.373 3.309 20 30 DGEDHM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC001259522463 1107158291 /nfs/dbraw/zinc/15/82/91/1107158291.db2.gz KZQBAYFMCFQBAY-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)c1 ZINC001259523689 1107159383 /nfs/dbraw/zinc/15/93/83/1107159383.db2.gz YYEQXMNGXJQVOM-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM CCCCN([O-])C(=O)Cc1cc(F)ccc1Br 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CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160828704 529683270 /nfs/dbraw/zinc/68/32/70/529683270.db2.gz KQJQMDZZKAZQID-QWRGUYRKSA-N -1 3 314.838 3.315 20 30 DGEDHM C=C(C)CN1CCC(NC(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000106291275 432020027 /nfs/dbraw/zinc/02/00/27/432020027.db2.gz QPJMGRXVNDEZEX-UHFFFAOYSA-N -1 3 324.424 3.316 20 30 DGEDHM N#CC(=C([O-])c1ccc(F)cc1OC(F)F)c1ccccn1 ZINC000429350999 238048982 /nfs/dbraw/zinc/04/89/82/238048982.db2.gz DYMWGNHHXDJIGJ-NSHDSACASA-N -1 3 306.243 3.312 20 30 DGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H](C)c1ccccc1 ZINC000435431394 238304231 /nfs/dbraw/zinc/30/42/31/238304231.db2.gz CXLSXUOXXGIKAP-NEPJUHHUSA-N -1 3 320.439 3.090 20 30 DGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)s1 ZINC000435423777 238305926 /nfs/dbraw/zinc/30/59/26/238305926.db2.gz RVYNZIKNHYNAFD-HNNXBMFYSA-N -1 3 318.423 3.049 20 30 DGEDHM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435437081 238306879 /nfs/dbraw/zinc/30/68/79/238306879.db2.gz 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C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H](C)c1ccccc1 ZINC000435431397 533483537 /nfs/dbraw/zinc/48/35/37/533483537.db2.gz CXLSXUOXXGIKAP-VXGBXAGGSA-N -1 3 320.439 3.090 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2nccc3ccccc32)cc(C)n1 ZINC000337531233 533560787 /nfs/dbraw/zinc/56/07/87/533560787.db2.gz VFGFTZBWQSREQX-MRXNPFEDSA-N -1 3 317.348 3.437 20 30 DGEDHM Cc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c([O-])c1 ZINC000609113091 400140225 /nfs/dbraw/zinc/14/02/25/400140225.db2.gz UWIMTINKRJVULR-KRWDZBQOSA-N -1 3 321.380 3.180 20 30 DGEDHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610081710 400212452 /nfs/dbraw/zinc/21/24/52/400212452.db2.gz VSOMBHAJRVHCFT-LBPRGKRZSA-N -1 3 312.410 3.190 20 30 DGEDHM CC(C)(C)c1noc2ncc(C([O-])=C(C#N)c3ccccn3)cc21 ZINC000590388713 400383326 /nfs/dbraw/zinc/38/33/26/400383326.db2.gz OWZWCCAMUPBLKS-CYBMUJFWSA-N -1 3 320.352 3.405 20 30 DGEDHM CCc1cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)ccc1[O-] ZINC000589850136 400333386 /nfs/dbraw/zinc/33/33/86/400333386.db2.gz 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/nfs/dbraw/zinc/47/40/62/400474062.db2.gz KZJQFGLKBIBKBW-UHFFFAOYSA-N -1 3 317.418 3.171 20 30 DGEDHM Cc1ccc([O-])c(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)n1 ZINC000329751815 292165154 /nfs/dbraw/zinc/16/51/54/292165154.db2.gz JECWGLCORDNYEE-ACJLOTCBSA-N -1 3 310.353 3.424 20 30 DGEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163778640 400749087 /nfs/dbraw/zinc/74/90/87/400749087.db2.gz VBVZIWCQSULFEO-UHFFFAOYSA-N -1 3 314.360 3.429 20 30 DGEDHM N#CC[C@H]1CCCN(C(=O)c2cc([O-])ccc2C(F)(F)F)C1 ZINC000597904279 400691747 /nfs/dbraw/zinc/69/17/47/400691747.db2.gz GRCLZFVGYBKIDL-SNVBAGLBSA-N -1 3 312.291 3.177 20 30 DGEDHM Cc1ccc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c([O-])c1C ZINC000618891009 400711534 /nfs/dbraw/zinc/71/15/34/400711534.db2.gz QINYTYZVKYYXBL-KRWDZBQOSA-N -1 3 306.365 3.298 20 30 DGEDHM N#CC[C@@H]1CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000598745328 400871024 /nfs/dbraw/zinc/87/10/24/400871024.db2.gz JLYONZCMCPFQJE-JTQLQIEISA-N -1 3 312.291 3.177 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C)c1 ZINC000619461126 400851646 /nfs/dbraw/zinc/85/16/46/400851646.db2.gz CBDYLFDKJKYWNB-UHFFFAOYSA-N -1 3 300.383 3.170 20 30 DGEDHM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2ccccn2)n1 ZINC000182866109 400898764 /nfs/dbraw/zinc/89/87/64/400898764.db2.gz YEBYKZZVCUGKHS-CQSZACIVSA-N -1 3 320.327 3.205 20 30 DGEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598900591 400908182 /nfs/dbraw/zinc/90/81/82/400908182.db2.gz KQUSDKLACAOEDA-NSHDSACASA-N -1 3 300.280 3.079 20 30 DGEDHM Cc1nc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)co1 ZINC000619866683 400910947 /nfs/dbraw/zinc/91/09/47/400910947.db2.gz APIZYUNPKNIYJX-JTQLQIEISA-N -1 3 301.371 3.487 20 30 DGEDHM C=CCCC(C)(C)NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000620859059 400998656 /nfs/dbraw/zinc/99/86/56/400998656.db2.gz VYKPGCLSIJBPRW-UHFFFAOYSA-N -1 3 316.376 3.450 20 30 DGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)ccc1C#N ZINC000235891606 400976500 /nfs/dbraw/zinc/97/65/00/400976500.db2.gz 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VKXONSYACRTNST-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM Cc1cc(Cl)cc(NC(=O)CNc2ccc(C#N)cc2)c1[O-] ZINC000116978916 431542905 /nfs/dbraw/zinc/54/29/05/431542905.db2.gz ZBJMGYGGISLQDP-UHFFFAOYSA-N -1 3 315.760 3.276 20 30 DGEDHM Cn1cccc1C(=O)Nc1n[n-]c(-c2ccccc2Cl)n1 ZINC000076365951 431547614 /nfs/dbraw/zinc/54/76/14/431547614.db2.gz HVRAAKBQDQVCSM-UHFFFAOYSA-N -1 3 301.737 3.100 20 30 DGEDHM Cc1cc(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)ccc1[O-] ZINC000416345544 280352684 /nfs/dbraw/zinc/35/26/84/280352684.db2.gz XMRIMQXGDVESQE-QGZVFWFLSA-N -1 3 306.365 3.380 20 30 DGEDHM C=CCc1ccc(OCC(=O)Nc2ccccc2[O-])c(OC)c1 ZINC000121190867 431750701 /nfs/dbraw/zinc/75/07/01/431750701.db2.gz CIQDLVAPXNMDMG-UHFFFAOYSA-N -1 3 313.353 3.147 20 30 DGEDHM Cc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])ccc1C#N ZINC000081459092 431791310 /nfs/dbraw/zinc/79/13/10/431791310.db2.gz RIELANGLNYROHH-UHFFFAOYSA-N -1 3 321.258 3.238 20 30 DGEDHM C=CCN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000121554336 431800820 /nfs/dbraw/zinc/80/08/20/431800820.db2.gz QXFPYIXNXABJJA-UHFFFAOYSA-N -1 3 311.410 3.269 20 30 DGEDHM C=CCN(CCc1ccccc1)C(=O)c1cc(OC)ccc1[O-] ZINC000121356627 431776074 /nfs/dbraw/zinc/77/60/74/431776074.db2.gz HZTHUWIIHONZNP-UHFFFAOYSA-N -1 3 311.381 3.272 20 30 DGEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(OC)ccc1[O-] ZINC000088411531 431858006 /nfs/dbraw/zinc/85/80/06/431858006.db2.gz MNDUZXKRSMRBMN-UHFFFAOYSA-N -1 3 304.390 3.193 20 30 DGEDHM N#CC(=C([O-])c1csc(Br)c1)c1ccccn1 ZINC000041481426 431859495 /nfs/dbraw/zinc/85/94/95/431859495.db2.gz KFCHFKGHISREKE-VIFPVBQESA-N -1 3 307.172 3.396 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(OC)c1C ZINC000041521404 431859794 /nfs/dbraw/zinc/85/97/94/431859794.db2.gz YZUNCRNHHBFKDJ-LBPRGKRZSA-N -1 3 316.382 3.267 20 30 DGEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(OC)c1C ZINC000041521406 431859954 /nfs/dbraw/zinc/85/99/54/431859954.db2.gz YZUNCRNHHBFKDJ-GFCCVEGCSA-N -1 3 316.382 3.267 20 30 DGEDHM CCCN(CC)c1ccc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000123572154 431867884 /nfs/dbraw/zinc/86/78/84/431867884.db2.gz IGMMBQRGMWGANK-HNNXBMFYSA-N -1 3 308.385 3.203 20 30 DGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000089495666 431868354 /nfs/dbraw/zinc/86/83/54/431868354.db2.gz KPIQKMFIYFPTJT-UHFFFAOYSA-N -1 3 316.373 3.106 20 30 DGEDHM Cc1cc([N-]C(=O)c2ccc(COc3ccccc3C#N)o2)no1 ZINC000048343221 431923699 /nfs/dbraw/zinc/92/36/99/431923699.db2.gz KJSSFZXLFPABGW-UHFFFAOYSA-N -1 3 323.308 3.279 20 30 DGEDHM COc1ccc([O-])c(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000127730626 431979566 /nfs/dbraw/zinc/97/95/66/431979566.db2.gz XOACZPIEDPUNRD-UHFFFAOYSA-N -1 3 310.353 3.454 20 30 DGEDHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000055663424 431984564 /nfs/dbraw/zinc/98/45/64/431984564.db2.gz MGDRLUISYAWDAD-UHFFFAOYSA-N -1 3 316.382 3.066 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)cc1F ZINC000186581511 432610985 /nfs/dbraw/zinc/61/09/85/432610985.db2.gz WUNRCZUZTRTREH-MLGOLLRUSA-N -1 3 324.421 3.026 20 30 DGEDHM CCc1nc(C(=O)[N-]c2ccccc2SCCC#N)co1 ZINC000155878456 432577953 /nfs/dbraw/zinc/57/79/53/432577953.db2.gz HWPFTZJSCSGFNN-UHFFFAOYSA-N -1 3 301.371 3.495 20 30 DGEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCCC#N)c1Cl ZINC000264148212 432620035 /nfs/dbraw/zinc/62/00/35/432620035.db2.gz SFCJJHNJEPMALL-UHFFFAOYSA-N -1 3 321.229 3.274 20 30 DGEDHM N#Cc1c([N-]C(=O)c2cn3ccnc3s2)sc2c1CCC2 ZINC000188142878 432708247 /nfs/dbraw/zinc/70/82/47/432708247.db2.gz VERNRFAUQVJGFY-UHFFFAOYSA-N -1 3 314.395 3.070 20 30 DGEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCC(C)(C#N)CC1)c2=O ZINC000275087440 432722307 /nfs/dbraw/zinc/72/23/07/432722307.db2.gz HAFGOPMAYPDOHC-UHFFFAOYSA-N -1 3 309.369 3.015 20 30 DGEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)Cc2ccccc2F)c1 ZINC000187700717 432678071 /nfs/dbraw/zinc/67/80/71/432678071.db2.gz CHXCHPMLBYPZFW-UHFFFAOYSA-N -1 3 324.764 3.293 20 30 DGEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc([O-])c(OC)c1 ZINC000275999231 432766135 /nfs/dbraw/zinc/76/61/35/432766135.db2.gz OIPKHOISSOQWOO-UHFFFAOYSA-N -1 3 304.390 3.193 20 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RTCSVKAJEZOJGH-GFCCVEGCSA-N -1 3 324.402 3.188 20 30 DGEDHM C=C[C@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000412286941 433138142 /nfs/dbraw/zinc/13/81/42/433138142.db2.gz JJLNTVBOMNGSTK-NSHDSACASA-N -1 3 316.788 3.362 20 30 DGEDHM C=C[C@H]1CCCCN1C(=O)c1cnc2c(Cl)cccc2c1[O-] ZINC000412286941 433138149 /nfs/dbraw/zinc/13/81/49/433138149.db2.gz JJLNTVBOMNGSTK-NSHDSACASA-N -1 3 316.788 3.362 20 30 DGEDHM Cc1cc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)sn1 ZINC000448318115 433385778 /nfs/dbraw/zinc/38/57/78/433385778.db2.gz MBAIUNNEYTWRCM-UHFFFAOYSA-N -1 3 310.338 3.231 20 30 DGEDHM Cc1nc(C(F)(F)F)sc1C([O-])=C(C#N)c1ccccn1 ZINC000361957934 433469283 /nfs/dbraw/zinc/46/92/83/433469283.db2.gz CXXLSVOGLQSDDT-MRVPVSSYSA-N -1 3 311.288 3.355 20 30 DGEDHM Cc1ncc(CO)c(/C=N/C[C@@H](c2ccccc2)C2CC2)c1[O-] ZINC000292369067 433558264 /nfs/dbraw/zinc/55/82/64/433558264.db2.gz SDLFGRJWJRLVSU-PBGVMVHZSA-N -1 3 310.397 3.201 20 30 DGEDHM CCCOc1ccc(/C=N/CCNC(=O)[C@@H](C)CCC)c([O-])c1 ZINC000292369016 433560994 /nfs/dbraw/zinc/56/09/94/433560994.db2.gz SCQKONQHKIGVLE-ITRAFESCSA-N -1 3 320.433 3.152 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccn1 ZINC000362182410 433564451 /nfs/dbraw/zinc/56/44/51/433564451.db2.gz HKANDTKUHRWRGP-LBPRGKRZSA-N -1 3 305.259 3.294 20 30 DGEDHM C=CCC1(NC(=O)c2cc(OC)c([O-])c(OC)c2)CCCCC1 ZINC000456370072 433621422 /nfs/dbraw/zinc/62/14/22/433621422.db2.gz QYACHLVKBRGCGW-UHFFFAOYSA-N -1 3 319.401 3.418 20 30 DGEDHM CSc1ccccc1[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000283767222 433774028 /nfs/dbraw/zinc/77/40/28/433774028.db2.gz ITGNRGQXWAFQPP-YXZFXQPTSA-N -1 3 316.426 3.490 20 30 DGEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000436128873 433884558 /nfs/dbraw/zinc/88/45/58/433884558.db2.gz LCJLRLTTWSVLLE-UHFFFAOYSA-N -1 3 310.338 3.231 20 30 DGEDHM COc1ccc(C#N)cc1NC(=O)Cc1ccc([O-])cc1Cl ZINC000357324269 433954390 /nfs/dbraw/zinc/95/43/90/433954390.db2.gz OTXICBIYXSFQLD-UHFFFAOYSA-N -1 3 316.744 3.107 20 30 DGEDHM COC[C@](C)(C#N)NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436589911 434024093 /nfs/dbraw/zinc/02/40/93/434024093.db2.gz QQDBGBFFSIDEPO-SFHVURJKSA-N -1 3 318.417 3.297 20 30 DGEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(OC)cc1[O-] ZINC000436540875 433998232 /nfs/dbraw/zinc/99/82/32/433998232.db2.gz RFGDWJGCCZGMBB-UHFFFAOYSA-N -1 3 311.381 3.272 20 30 DGEDHM N#Cc1ccc(SCc2noc(-c3ccccc3[O-])n2)nc1 ZINC000436704626 434074321 /nfs/dbraw/zinc/07/43/21/434074321.db2.gz KTPMYLYDFJZOCJ-UHFFFAOYSA-N -1 3 310.338 3.001 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)CC(C)(C)C ZINC000457223096 434059318 /nfs/dbraw/zinc/05/93/18/434059318.db2.gz KXVBEEJZKHLEAA-LLVKDONJSA-N -1 3 317.433 3.149 20 30 DGEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000316071668 434179997 /nfs/dbraw/zinc/17/99/97/434179997.db2.gz PRMRFYISKZBFBT-UHFFFAOYSA-N -1 3 321.229 3.212 20 30 DGEDHM N#Cc1ccc(SCC(=O)Nc2ccccc2[O-])c(F)c1 ZINC000358925275 434409586 /nfs/dbraw/zinc/40/95/86/434409586.db2.gz RFLCMOLFLMLZLF-UHFFFAOYSA-N -1 3 302.330 3.134 20 30 DGEDHM Cc1ccc2[n-]cc(C(=O)N3CCC(C)(C#N)CC3)c(=O)c2c1 ZINC000287649210 434419625 /nfs/dbraw/zinc/41/96/25/434419625.db2.gz AXEJRHKSWAKFMT-UHFFFAOYSA-N -1 3 309.369 3.015 20 30 DGEDHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000410333980 434641341 /nfs/dbraw/zinc/64/13/41/434641341.db2.gz BAKZAJSXAYOXNF-DYVFJYSZSA-N -1 3 320.458 3.195 20 30 DGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(C)(C)C ZINC000443082037 434776001 /nfs/dbraw/zinc/77/60/01/434776001.db2.gz YVASUIZJHQBHSF-CYBMUJFWSA-N -1 3 314.838 3.315 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000462335936 434908144 /nfs/dbraw/zinc/90/81/44/434908144.db2.gz CYSSWIQBUDKMKZ-MRVPVSSYSA-N -1 3 324.229 3.245 20 30 DGEDHM N#CC(=C([O-])c1cccc(C2CC2)c1)c1nnc2n1CCCCC2 ZINC000574051972 434947197 /nfs/dbraw/zinc/94/71/97/434947197.db2.gz QBPDGIHZOPCSNK-INIZCTEOSA-N -1 3 320.396 3.372 20 30 DGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000555529355 434976877 /nfs/dbraw/zinc/97/68/77/434976877.db2.gz APBIBWJRROBOQG-UHFFFAOYSA-N -1 3 304.774 3.161 20 30 DGEDHM CC(C)(C#N)c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000557490094 435053757 /nfs/dbraw/zinc/05/37/57/435053757.db2.gz YUNZIRQDSDEELG-UHFFFAOYSA-N -1 3 322.368 3.113 20 30 DGEDHM C[C@H](O[N-]C(=O)/C=C\c1ccc(OCC#N)cc1)c1ccccc1 ZINC000493235268 435131121 /nfs/dbraw/zinc/13/11/21/435131121.db2.gz FOGMWTTUPWZWLF-LMRWQKIVSA-N -1 3 322.364 3.411 20 30 DGEDHM C=CCOc1ccc(/C=C\C(=O)[N-]OC/C=C/Cl)cc1OC ZINC000493353329 435153752 /nfs/dbraw/zinc/15/37/52/435153752.db2.gz NPESPDLTNTUTTI-UNTFCYRVSA-N -1 3 323.776 3.074 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccccc1NC(=O)OC(C)(C)C ZINC000496951985 435276489 /nfs/dbraw/zinc/27/64/89/435276489.db2.gz XSNKQTJZQHOSCO-GFCCVEGCSA-N -1 3 320.389 3.198 20 30 DGEDHM C#CCN(C(=O)CCCc1ccc([O-])c(F)c1)C1CCCC1 ZINC000490719454 435674610 /nfs/dbraw/zinc/67/46/10/435674610.db2.gz MZKDWTFHLYXNCW-UHFFFAOYSA-N -1 3 303.377 3.258 20 30 DGEDHM COc1ccnc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000647264561 435994846 /nfs/dbraw/zinc/99/48/46/435994846.db2.gz HIVMSJHCGSANDS-NSHDSACASA-N -1 3 315.398 3.334 20 30 DGEDHM C=C(C)CCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000652489881 435996046 /nfs/dbraw/zinc/99/60/46/435996046.db2.gz NIKKRNGPOXBLHK-AWEZNQCLSA-N -1 3 324.218 3.227 20 30 DGEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000661413569 436058921 /nfs/dbraw/zinc/05/89/21/436058921.db2.gz FECRPMPEAXJWQX-UKRRQHHQSA-N -1 3 306.381 3.465 20 30 DGEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc([O-])c(F)c1 ZINC000661413570 436059406 /nfs/dbraw/zinc/05/94/06/436059406.db2.gz FECRPMPEAXJWQX-ZFWWWQNUSA-N -1 3 306.381 3.465 20 30 DGEDHM C=CCC1([N-]S(=O)(=O)c2cc(F)ccc2OC)CCCC1 ZINC000657190035 436088508 /nfs/dbraw/zinc/08/85/08/436088508.db2.gz PESVIYDQMXDKPA-UHFFFAOYSA-N -1 3 313.394 3.002 20 30 DGEDHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000553435360 314644059 /nfs/dbraw/zinc/64/40/59/314644059.db2.gz VANQAEZPTOUNIR-HNNXBMFYSA-N -1 3 318.398 3.217 20 30 DGEDHM CCOc1cc(-c2noc(-c3ccc(C#N)c(C)n3)n2)ccc1[O-] ZINC000350796931 323500063 /nfs/dbraw/zinc/50/00/63/323500063.db2.gz WGARFAMPUSIXNE-UHFFFAOYSA-N -1 3 322.324 3.083 20 30 DGEDHM C=CCN(CCc1ccco1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000497671549 333276627 /nfs/dbraw/zinc/27/66/27/333276627.db2.gz KCBJGDACZGSTNP-UHFFFAOYSA-N -1 3 318.348 3.065 20 30 DGEDHM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295261452 334221479 /nfs/dbraw/zinc/22/14/79/334221479.db2.gz YBVNOWQLHWMGSC-GFCCVEGCSA-N -1 3 306.387 3.177 20 30 DGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000520468426 335980680 /nfs/dbraw/zinc/98/06/80/335980680.db2.gz OPWRMCVCCUJQND-NSHDSACASA-N -1 3 321.229 3.210 20 30 DGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000577694468 341929567 /nfs/dbraw/zinc/92/95/67/341929567.db2.gz UOAKMERFASRLSX-SECBINFHSA-N -1 3 321.229 3.105 20 30 DGEDHM N#CCCN(CC1CC1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000345436548 534637662 /nfs/dbraw/zinc/63/76/62/534637662.db2.gz VXIMQJUGSMWIRZ-UHFFFAOYSA-N -1 3 304.365 3.006 20 30 DGEDHM C=CCN(Cc1cccs1)[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000345668674 526379463 /nfs/dbraw/zinc/37/94/63/526379463.db2.gz VZKKPMBNLLWOQJ-LBPRGKRZSA-N -1 3 305.403 3.060 20 30 DGEDHM CC(C)(CCC#N)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000360410805 526987518 /nfs/dbraw/zinc/98/75/18/526987518.db2.gz LERRWWCKRLHXNO-UHFFFAOYSA-N -1 3 306.381 3.300 20 30 DGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000432276263 527017937 /nfs/dbraw/zinc/01/79/37/527017937.db2.gz HILYSFDMIDUURG-UHFFFAOYSA-N -1 3 305.802 3.360 20 30 DGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000342066435 527033449 /nfs/dbraw/zinc/03/34/49/527033449.db2.gz BSSWPQDYPFIFHK-LLVKDONJSA-N -1 3 308.428 3.053 20 30 DGEDHM C=CCCC1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CC1 ZINC000359562649 527098911 /nfs/dbraw/zinc/09/89/11/527098911.db2.gz GIVXMPUAKYQTEZ-UHFFFAOYSA-N -1 3 318.327 3.435 20 30 DGEDHM C=CCCC1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CC1 ZINC000359562649 527098914 /nfs/dbraw/zinc/09/89/14/527098914.db2.gz GIVXMPUAKYQTEZ-UHFFFAOYSA-N -1 3 318.327 3.435 20 30 DGEDHM C=CCCC1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CC1 ZINC000359562649 527098918 /nfs/dbraw/zinc/09/89/18/527098918.db2.gz GIVXMPUAKYQTEZ-UHFFFAOYSA-N -1 3 318.327 3.435 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCC[C@H](C)OCc1ccccc1 ZINC000352932502 527331980 /nfs/dbraw/zinc/33/19/80/527331980.db2.gz SZESDNXUMRBZFZ-ZDUSSCGKSA-N -1 3 319.430 3.257 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1csc(-c2ccco2)n1 ZINC000348126415 527333908 /nfs/dbraw/zinc/33/39/08/527333908.db2.gz WEHSSZVIPJSPSG-UHFFFAOYSA-N -1 3 320.399 3.179 20 30 DGEDHM C=C[C@@](C)(O)CC(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000431849479 527550359 /nfs/dbraw/zinc/55/03/59/527550359.db2.gz DLIVOCHNMKMUOD-LJQANCHMSA-N -1 3 311.381 3.249 20 30 DGEDHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000347352060 529188572 /nfs/dbraw/zinc/18/85/72/529188572.db2.gz XQFYDYUXCYIEIY-SWLSCSKDSA-N -1 3 324.384 3.156 20 30 DGEDHM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443499643 529322397 /nfs/dbraw/zinc/32/23/97/529322397.db2.gz IKHYTWXRLFBXGI-ZWNOBZJWSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1cc(C)nc(N=NC2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000730543050 574531465 /nfs/dbraw/zinc/53/14/65/574531465.db2.gz DFSAKUMYGRHQBH-QMMMGPOBSA-N -1 3 300.337 3.262 20 30 DGEDHM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C\c1ccccc1[O-] ZINC000730547348 574531477 /nfs/dbraw/zinc/53/14/77/574531477.db2.gz RDOVNEDUJDPBMR-BYINCCNUSA-N -1 3 322.364 3.077 20 30 DGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000730996237 574541044 /nfs/dbraw/zinc/54/10/44/574541044.db2.gz JDDFWGNEFBWKIY-UHFFFAOYSA-N -1 3 315.394 3.116 20 30 DGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1 ZINC000730996638 574541072 /nfs/dbraw/zinc/54/10/72/574541072.db2.gz WNBPZICNZZUSRU-UHFFFAOYSA-N -1 3 315.394 3.062 20 30 DGEDHM CCC(Cc1cccs1)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000730946534 574539480 /nfs/dbraw/zinc/53/94/80/574539480.db2.gz ASJIUXGVPGQPKG-UHFFFAOYSA-N -1 3 322.455 3.176 20 30 DGEDHM Cc1ccc(N=Cc2cccc([O-])c2O)cc1C(=O)NC(C)C ZINC000731155621 574544362 /nfs/dbraw/zinc/54/43/62/574544362.db2.gz MWSCMZYQIYSXJN-UHFFFAOYSA-N -1 3 312.369 3.295 20 30 DGEDHM COc1cccc([O-])c1/C=N/C[C@@]1(O)CCCc2ccccc21 ZINC000731317796 574546956 /nfs/dbraw/zinc/54/69/56/574546956.db2.gz CSEMQJKNGNAGOW-GUBFPNNNSA-N -1 3 311.381 3.044 20 30 DGEDHM CCN(CC)c1ccc(C=[NH+][N-]c2ccc(F)cn2)c([O-])c1 ZINC000731319849 574547174 /nfs/dbraw/zinc/54/71/74/574547174.db2.gz ZFOSYGZYYPYZFX-UHFFFAOYSA-N -1 3 302.353 3.219 20 30 DGEDHM COc1cccc([O-])c1C=Nc1cccc(C[S@@](C)=O)c1 ZINC000734366107 574657798 /nfs/dbraw/zinc/65/77/98/574657798.db2.gz FIUMOBLUHLLTSP-OAQYLSRUSA-N -1 3 303.383 3.030 20 30 DGEDHM Cc1c(C[S@](C)=O)cccc1N=Cc1cccc([O-])c1O ZINC000734978982 574684104 /nfs/dbraw/zinc/68/41/04/574684104.db2.gz GYKCIRFYBLGUDO-NRFANRHFSA-N -1 3 303.383 3.035 20 30 DGEDHM COc1cccc([O-])c1C=Nc1cccc(C[S@@](C)=O)c1C ZINC000734978793 574684124 /nfs/dbraw/zinc/68/41/24/574684124.db2.gz BWDHVCGLPJWLMD-JOCHJYFZSA-N -1 3 317.410 3.338 20 30 DGEDHM COc1cccc([O-])c1C=Nc1cccc(C[S@](C)=O)c1C ZINC000734978794 574684127 /nfs/dbraw/zinc/68/41/27/574684127.db2.gz BWDHVCGLPJWLMD-QFIPXVFZSA-N -1 3 317.410 3.338 20 30 DGEDHM C=CCc1ccccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735442789 574702063 /nfs/dbraw/zinc/70/20/63/574702063.db2.gz JYWJUEXVVMJOBO-UHFFFAOYSA-N -1 3 310.332 3.313 20 30 DGEDHM C=CCc1ccccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735442789 574702064 /nfs/dbraw/zinc/70/20/64/574702064.db2.gz JYWJUEXVVMJOBO-UHFFFAOYSA-N -1 3 310.332 3.313 20 30 DGEDHM Cc1cc2c(c(F)c1)NC(=O)C2=N[N-]c1c(F)cccc1F ZINC000735615503 574709563 /nfs/dbraw/zinc/70/95/63/574709563.db2.gz RKRVGRPMTHVZNQ-UHFFFAOYSA-N -1 3 305.259 3.181 20 30 DGEDHM C[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736260059 574739054 /nfs/dbraw/zinc/73/90/54/574739054.db2.gz HEXGMKFDCVDOIW-MRVPVSSYSA-N -1 3 324.310 3.473 20 30 DGEDHM C[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736260059 574739056 /nfs/dbraw/zinc/73/90/56/574739056.db2.gz HEXGMKFDCVDOIW-MRVPVSSYSA-N -1 3 324.310 3.473 20 30 DGEDHM CCCC(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736419799 574748863 /nfs/dbraw/zinc/74/88/63/574748863.db2.gz ONTWPJRQHFTUTG-UHFFFAOYSA-N -1 3 312.299 3.473 20 30 DGEDHM CCCC(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736419799 574748864 /nfs/dbraw/zinc/74/88/64/574748864.db2.gz ONTWPJRQHFTUTG-UHFFFAOYSA-N -1 3 312.299 3.473 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736683891 574803019 /nfs/dbraw/zinc/80/30/19/574803019.db2.gz SMOIDWOZGXIMPV-MDZDMXLPSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736683891 574803020 /nfs/dbraw/zinc/80/30/20/574803020.db2.gz SMOIDWOZGXIMPV-MDZDMXLPSA-N -1 3 310.382 3.387 20 30 DGEDHM CC[C@](NCc1ccc(OCC#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000736920799 574811298 /nfs/dbraw/zinc/81/12/98/574811298.db2.gz SHNMCICPZLWGMR-LJQANCHMSA-N -1 3 324.380 3.069 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737254054 574830799 /nfs/dbraw/zinc/83/07/99/574830799.db2.gz WENKNELXNPFPHZ-VOTSOKGWSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cc(C)cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737254054 574830801 /nfs/dbraw/zinc/83/08/01/574830801.db2.gz WENKNELXNPFPHZ-VOTSOKGWSA-N -1 3 304.353 3.380 20 30 DGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H](C2CC2)C1 ZINC000737429731 574843175 /nfs/dbraw/zinc/84/31/75/574843175.db2.gz AZWJWEIVVRSQKI-OAHLLOKOSA-N -1 3 306.431 3.062 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCC[C@H]2Cc2ccccc2)c1[O-] ZINC000737440044 574844043 /nfs/dbraw/zinc/84/40/43/574844043.db2.gz AJYPHRGUVLMLLF-QBZLRBDUSA-N -1 3 324.424 3.418 20 30 DGEDHM N#Cc1cc(Cl)ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737703712 574855108 /nfs/dbraw/zinc/85/51/08/574855108.db2.gz FAHPPQDUNQOODX-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1cc(Cl)ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737703712 574855111 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ZSRNGIAXARCVQF-VQHVLOKHSA-N -1 3 310.353 3.072 20 30 DGEDHM C#CC[C@H]1CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000862096690 621555145 /nfs/dbraw/zinc/55/51/45/621555145.db2.gz AYVRLFOGEVHRFH-NSHDSACASA-N -1 3 322.202 3.030 20 30 DGEDHM S=c1[n-]c2ccccc2nc1N=NC1CO[C@@H](C2CC2)C1 ZINC000863124839 621641007 /nfs/dbraw/zinc/64/10/07/621641007.db2.gz FPHNWMZFNSBXBV-CYBMUJFWSA-N -1 3 300.387 3.259 20 30 DGEDHM Cn1ncc(C2CC2)c1CN=Nc1nc2ccccc2[n-]c1=S ZINC000863125475 621641021 /nfs/dbraw/zinc/64/10/21/621641021.db2.gz XEMDZNWWOYONHX-UHFFFAOYSA-N -1 3 324.413 3.349 20 30 DGEDHM Cn1ncc(C2CC2)c1C=NNc1nc2ccccc2[n-]c1=S ZINC000863125475 621641022 /nfs/dbraw/zinc/64/10/22/621641022.db2.gz XEMDZNWWOYONHX-UHFFFAOYSA-N -1 3 324.413 3.349 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CO[C@H](C2CC2)C1 ZINC000864345876 621758517 /nfs/dbraw/zinc/75/85/17/621758517.db2.gz IDTHGJFPUXUWJY-HFXQRLRDSA-N -1 3 310.191 3.141 20 30 DGEDHM Cc1cc(CNCc2cccc(CCC(=O)[O-])c2)ccc1C#N ZINC000864518294 621777514 /nfs/dbraw/zinc/77/75/14/621777514.db2.gz GKKLRDYBCAZQRJ-UHFFFAOYSA-N -1 3 308.381 3.174 20 30 DGEDHM COc1ccc(CO[N-]C(=O)CCC2CCCCC2)cc1C#N ZINC000758420213 621780779 /nfs/dbraw/zinc/78/07/79/621780779.db2.gz AAWFHZWUZJOGHY-UHFFFAOYSA-N -1 3 316.401 3.475 20 30 DGEDHM C#CCOc1cccc(-c2noc(-c3cccc(OC)c3[O-])n2)c1 ZINC000761779746 622029183 /nfs/dbraw/zinc/02/91/83/622029183.db2.gz UFMUZWRWSDQLLY-UHFFFAOYSA-N -1 3 322.320 3.130 20 30 DGEDHM C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccc(C#N)c1[O-] ZINC000866343623 622098630 /nfs/dbraw/zinc/09/86/30/622098630.db2.gz MEVXRBZVHUFTBG-CYBMUJFWSA-N -1 3 321.380 3.086 20 30 DGEDHM COc1cc(C(=O)/C=C\c2scnc2C)c(OC)cc1[O-] ZINC000763106864 622123282 /nfs/dbraw/zinc/12/32/82/622123282.db2.gz RIWZUQQJXFTLHF-PLNGDYQASA-N -1 3 305.355 3.070 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(Cl)nc2)c(OC)cc1[O-] ZINC000763103933 622123540 /nfs/dbraw/zinc/12/35/40/622123540.db2.gz HVADSKPCBAMAKL-HYXAFXHYSA-N -1 3 319.744 3.354 20 30 DGEDHM O=C(C1CCCC1)N1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000122910895 622427999 /nfs/dbraw/zinc/42/79/99/622427999.db2.gz PARQEPKHOOYWJB-RPJLVFAOSA-N -1 3 320.820 3.256 20 30 DGEDHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]Oc2cccc(C#N)c2)o1 ZINC000870693702 622497610 /nfs/dbraw/zinc/49/76/10/622497610.db2.gz QUCFYFMSJXLHCG-WBMJQRKESA-N -1 3 310.353 3.317 20 30 DGEDHM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1sccc1[O-] ZINC000769779277 622559026 /nfs/dbraw/zinc/55/90/26/622559026.db2.gz BONQZRQZHNASAI-UHFFFAOYSA-N -1 3 304.375 3.447 20 30 DGEDHM C=CCOc1ccc(CC(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871216387 622573187 /nfs/dbraw/zinc/57/31/87/622573187.db2.gz RKIZOHOKYTUHHO-UHFFFAOYSA-N -1 3 317.307 3.184 20 30 DGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N(C)C)c(F)c2)n1 ZINC000770091568 622600051 /nfs/dbraw/zinc/60/00/51/622600051.db2.gz BWFGEMXMCCFATF-NSHDSACASA-N -1 3 303.362 3.147 20 30 DGEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000770277325 622617733 /nfs/dbraw/zinc/61/77/33/622617733.db2.gz WKQUMTIEGPSCKI-UHFFFAOYSA-N -1 3 309.218 3.023 20 30 DGEDHM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc(Cl)n1 ZINC000123682511 622641030 /nfs/dbraw/zinc/64/10/30/622641030.db2.gz VDAMDZYYRKEJRW-LBPRGKRZSA-N -1 3 324.771 3.420 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ncnn1-c1ccccc1 ZINC000775235228 623243442 /nfs/dbraw/zinc/24/34/42/623243442.db2.gz SJKULVXIIUNMPH-GIJQJNRQSA-N -1 3 312.760 3.245 20 30 DGEDHM CC(N=Nc1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000790306614 625633622 /nfs/dbraw/zinc/63/36/22/625633622.db2.gz LPGSHOLIQSXBOG-UHFFFAOYSA-N -1 3 307.256 3.415 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCCOc2cccc(Cl)c2)c1 ZINC000776274172 623405149 /nfs/dbraw/zinc/40/51/49/623405149.db2.gz MPMIAAQLOHTYBH-UHFFFAOYSA-N -1 3 317.728 3.153 20 30 DGEDHM C#CCCCCCC(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000780523407 623943875 /nfs/dbraw/zinc/94/38/75/623943875.db2.gz HVPDGTPTUXYICB-UHFFFAOYSA-N -1 3 303.358 3.091 20 30 DGEDHM CC(=[NH+][N-]c1ccnc(F)c1)c1ccc(N2CCCC2)cc1[O-] ZINC000781132766 624027564 /nfs/dbraw/zinc/02/75/64/624027564.db2.gz IWUBURICXKYLSX-UHFFFAOYSA-N -1 3 314.364 3.363 20 30 DGEDHM N#Cc1cccc(OCCO[N-]C(=O)CCC2CCCCC2)c1 ZINC000782325905 624239498 /nfs/dbraw/zinc/23/94/98/624239498.db2.gz NOQXAYJOLGVDIE-UHFFFAOYSA-N -1 3 316.401 3.345 20 30 DGEDHM CCc1cnc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)s1 ZINC000783708875 624386263 /nfs/dbraw/zinc/38/62/63/624386263.db2.gz GUEUCCDNJBVBJF-WAYWQWQTSA-N -1 3 319.382 3.324 20 30 DGEDHM CC(=NNCCC(=O)OC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000783866935 624402779 /nfs/dbraw/zinc/40/27/79/624402779.db2.gz XNZFEFRXMJNBJD-UHFFFAOYSA-N -1 3 312.797 3.091 20 30 DGEDHM CC(C)CN(CCC#N)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000786838483 624958092 /nfs/dbraw/zinc/95/80/92/624958092.db2.gz OYGQGOICGAVVSS-UHFFFAOYSA-N -1 3 306.381 3.252 20 30 DGEDHM O=C(NCC#Cc1ccccc1)c1cc2sccc2c([O-])c1 ZINC000788270192 625111160 /nfs/dbraw/zinc/11/11/60/625111160.db2.gz GEUYQFLHEQPDDG-UHFFFAOYSA-N -1 3 307.374 3.388 20 30 DGEDHM CCc1cc(C(=O)[N-]c2ccccc2SCCC#N)no1 ZINC000888861260 625221534 /nfs/dbraw/zinc/22/15/34/625221534.db2.gz ODECLZLGRHBMNQ-UHFFFAOYSA-N -1 3 301.371 3.495 20 30 DGEDHM N#Cc1ccc(CNC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000791363985 625784480 /nfs/dbraw/zinc/78/44/80/625784480.db2.gz KHVVTPXSHKMQCP-UHFFFAOYSA-N -1 3 308.362 3.409 20 30 DGEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(C)c2)c1 ZINC000796789052 626083435 /nfs/dbraw/zinc/08/34/35/626083435.db2.gz MHCBVWJIBQMYBY-CQSZACIVSA-N -1 3 314.366 3.026 20 30 DGEDHM CCOC(=O)C(C)(C)C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000797570927 626154007 /nfs/dbraw/zinc/15/40/07/626154007.db2.gz LZODSUOTGSQNFI-JTQLQIEISA-N -1 3 322.430 3.206 20 30 DGEDHM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C#N ZINC000798240850 626204634 /nfs/dbraw/zinc/20/46/34/626204634.db2.gz MDPZIRWWWZMREV-UHFFFAOYSA-N -1 3 322.733 3.137 20 30 DGEDHM CN1C(=O)COc2cc(N=Cc3cc(Cl)ccc3[O-])ccc21 ZINC000798343792 626210455 /nfs/dbraw/zinc/21/04/55/626210455.db2.gz QVWMRQXEKWELJP-UHFFFAOYSA-N -1 3 316.744 3.151 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2cn(-c3ccccc3C)nn2)ccc1[O-] ZINC000806571960 626722622 /nfs/dbraw/zinc/72/26/22/626722622.db2.gz RTMKJZMSWNDSGB-CSKARUKUSA-N -1 3 319.364 3.486 20 30 DGEDHM Cc1cc(C(=O)/C=C\c2cn(-c3ccccc3C)nn2)ccc1[O-] ZINC000806571961 626722697 /nfs/dbraw/zinc/72/26/97/626722697.db2.gz RTMKJZMSWNDSGB-NTMALXAHSA-N -1 3 319.364 3.486 20 30 DGEDHM COc1cccc2c(C(=O)O[C@@H](C)c3ccc(C#N)cc3)n[n-]c21 ZINC000808675434 626848259 /nfs/dbraw/zinc/84/82/59/626848259.db2.gz GPLRWJUVFRISFW-NSHDSACASA-N -1 3 321.336 3.361 20 30 DGEDHM COc1cccc2c(C(=O)O[C@@H](C)c3ccc(C#N)cc3)[n-]nc21 ZINC000808675434 626848260 /nfs/dbraw/zinc/84/82/60/626848260.db2.gz GPLRWJUVFRISFW-NSHDSACASA-N -1 3 321.336 3.361 20 30 DGEDHM COc1cc(CNCc2c([O-])ccc(Cl)c2F)ccc1C#N ZINC000810169737 626983948 /nfs/dbraw/zinc/98/39/48/626983948.db2.gz XZYMNDKPVRLKFN-UHFFFAOYSA-N -1 3 320.751 3.355 20 30 DGEDHM COc1ccc(COC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000811185602 627254428 /nfs/dbraw/zinc/25/44/28/627254428.db2.gz PFDKXWQTSFJPAO-UHFFFAOYSA-N -1 3 317.728 3.283 20 30 DGEDHM N#Cc1ccc(C2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000887706346 627310009 /nfs/dbraw/zinc/31/00/09/627310009.db2.gz XBEGWEYDZOPZAN-UHFFFAOYSA-N -1 3 306.365 3.284 20 30 DGEDHM Cn1nc2c(c1C/N=C/c1cc(Cl)ccc1[O-])CCCC2 ZINC000812444435 627386919 /nfs/dbraw/zinc/38/69/19/627386919.db2.gz GTVDEYJUNXNPST-GIJQJNRQSA-N -1 3 303.793 3.277 20 30 DGEDHM N#CC(=C([O-])C=CC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813217414 627468692 /nfs/dbraw/zinc/46/86/92/627468692.db2.gz FTAFAIKCQRYWPJ-AORQRIRUSA-N -1 3 324.302 3.259 20 30 DGEDHM CCC/C=C/COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000813909044 627520472 /nfs/dbraw/zinc/52/04/72/627520472.db2.gz KRDKEQKHQVMVIL-VOTSOKGWSA-N -1 3 302.374 3.108 20 30 DGEDHM Cc1ncc(CO)c(/C=N/[C@@H](CCCC#N)c2ccccc2)c1[O-] ZINC000814184341 627547906 /nfs/dbraw/zinc/54/79/06/627547906.db2.gz ZLPJNTPGPUANGQ-YPKZHZFPSA-N -1 3 323.396 3.442 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000816558452 627807199 /nfs/dbraw/zinc/80/71/99/627807199.db2.gz ZHAZAZMCTMMDNS-GZMMTYOYSA-N -1 3 305.246 3.287 20 30 DGEDHM C=CCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734881 628183966 /nfs/dbraw/zinc/18/39/66/628183966.db2.gz WHMNEKOHOGMICF-ZDUSSCGKSA-N -1 3 313.405 3.133 20 30 DGEDHM C=CCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734881 628183967 /nfs/dbraw/zinc/18/39/67/628183967.db2.gz WHMNEKOHOGMICF-ZDUSSCGKSA-N -1 3 313.405 3.133 20 30 DGEDHM CC(C)CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000820050601 628218100 /nfs/dbraw/zinc/21/81/00/628218100.db2.gz DGCPHOKZWCECPN-UHFFFAOYSA-N -1 3 321.388 3.124 20 30 DGEDHM CC(C)c1csc(C(C#N)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000820061930 628219222 /nfs/dbraw/zinc/21/92/22/628219222.db2.gz ULWJJXVJODWPQW-GFCCVEGCSA-N -1 3 314.366 3.455 20 30 DGEDHM CC[C@@H](C#N)Oc1cccc(CNCc2cccc(C(=O)[O-])c2)c1 ZINC000820261417 628240710 /nfs/dbraw/zinc/24/07/10/628240710.db2.gz KFIPTGSMYPDWKB-KRWDZBQOSA-N -1 3 324.380 3.356 20 30 DGEDHM C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820455324 628260783 /nfs/dbraw/zinc/26/07/83/628260783.db2.gz GYIQZIQTXVXAGO-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820455324 628260785 /nfs/dbraw/zinc/26/07/85/628260785.db2.gz GYIQZIQTXVXAGO-SNVBAGLBSA-N -1 3 308.320 3.051 20 30 DGEDHM N#CC(=C([O-])C=C[C@@H]1CCCO1)c1cc(C(F)(F)F)ccn1 ZINC000821177662 628343519 /nfs/dbraw/zinc/34/35/19/628343519.db2.gz HZZJNXONVILXLM-QSKOYVBTSA-N -1 3 310.275 3.012 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822224942 628430637 /nfs/dbraw/zinc/43/06/37/628430637.db2.gz GTZMSWLJSVNJMB-AATRIKPKSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822224942 628430639 /nfs/dbraw/zinc/43/06/39/628430639.db2.gz GTZMSWLJSVNJMB-AATRIKPKSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1C ZINC000822284031 628436373 /nfs/dbraw/zinc/43/63/73/628436373.db2.gz GTTBCXXYLRBVND-SREVYHEPSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1C ZINC000822284031 628436375 /nfs/dbraw/zinc/43/63/75/628436375.db2.gz GTTBCXXYLRBVND-SREVYHEPSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1C ZINC000822284517 628436544 /nfs/dbraw/zinc/43/65/44/628436544.db2.gz SFUPMWVMIYYRTB-VURMDHGXSA-N -1 3 310.382 3.441 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822341360 628442616 /nfs/dbraw/zinc/44/26/16/628442616.db2.gz WKMNCFPAPMHWHC-NTUHNPAUSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822341360 628442617 /nfs/dbraw/zinc/44/26/17/628442617.db2.gz WKMNCFPAPMHWHC-NTUHNPAUSA-N -1 3 320.327 3.137 20 30 DGEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822833744 628500495 /nfs/dbraw/zinc/50/04/95/628500495.db2.gz VPFOEJZXRKLSCI-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822833744 628500496 /nfs/dbraw/zinc/50/04/96/628500496.db2.gz VPFOEJZXRKLSCI-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)cc1F ZINC000822923346 628509272 /nfs/dbraw/zinc/50/92/72/628509272.db2.gz QGWAIEFSGLPVOP-DUXPYHPUSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)cc1F ZINC000822923346 628509274 /nfs/dbraw/zinc/50/92/74/628509274.db2.gz QGWAIEFSGLPVOP-DUXPYHPUSA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)CCC2 ZINC000822922778 628509344 /nfs/dbraw/zinc/50/93/44/628509344.db2.gz JSJHOTWWZDQFKP-RMKNXTFCSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)CCC2 ZINC000822922778 628509347 /nfs/dbraw/zinc/50/93/47/628509347.db2.gz JSJHOTWWZDQFKP-RMKNXTFCSA-N -1 3 322.393 3.313 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000822934993 628510882 /nfs/dbraw/zinc/51/08/82/628510882.db2.gz FQFNRJGJNNTHPV-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000822934993 628510885 /nfs/dbraw/zinc/51/08/85/628510885.db2.gz FQFNRJGJNNTHPV-PLNGDYQASA-N -1 3 316.773 3.478 20 30 DGEDHM CCCCc1nnc([N-]C(=O)c2cc(C#N)ccc2F)s1 ZINC000823116586 628528156 /nfs/dbraw/zinc/52/81/56/628528156.db2.gz YUDOAASUKCTXIY-UHFFFAOYSA-N -1 3 304.350 3.144 20 30 DGEDHM O=C1c2ccsc2CCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504106 628570482 /nfs/dbraw/zinc/57/04/82/628570482.db2.gz MHSYPWBCIQUONO-FPLPWBNLSA-N -1 3 314.395 3.202 20 30 DGEDHM C=CC1(CC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)CCCCC1 ZINC000823776720 628595529 /nfs/dbraw/zinc/59/55/29/628595529.db2.gz JVHRYLWHTMBFEN-UHFFFAOYSA-N -1 3 317.433 3.369 20 30 DGEDHM C=C(CC)CNc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000823877866 628605993 /nfs/dbraw/zinc/60/59/93/628605993.db2.gz JDPRRALMDNJHFR-UHFFFAOYSA-N -1 3 322.372 3.432 20 30 DGEDHM CC(=NN[C@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953822 628612848 /nfs/dbraw/zinc/61/28/48/628612848.db2.gz RMRCKAMXXARDGY-LLVKDONJSA-N -1 3 324.363 3.081 20 30 DGEDHM CC(=NN[C@H](C)c1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953822 628612850 /nfs/dbraw/zinc/61/28/50/628612850.db2.gz RMRCKAMXXARDGY-LLVKDONJSA-N -1 3 324.363 3.081 20 30 DGEDHM CC(=NN[C@@H](C)c1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953806 628612856 /nfs/dbraw/zinc/61/28/56/628612856.db2.gz QZRNTRMRSLFFDZ-JTQLQIEISA-N -1 3 312.402 3.003 20 30 DGEDHM C[C@@H]1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@H](C)C1 ZINC000824900289 628703914 /nfs/dbraw/zinc/70/39/14/628703914.db2.gz UMGJSGYJXCSXNH-BDAKNGLRSA-N -1 3 319.800 3.139 20 30 DGEDHM C[C@@H]1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@H](C)C1 ZINC000824900289 628703915 /nfs/dbraw/zinc/70/39/15/628703915.db2.gz UMGJSGYJXCSXNH-BDAKNGLRSA-N -1 3 319.800 3.139 20 30 DGEDHM CC[C@@H]1CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000825194897 628736783 /nfs/dbraw/zinc/73/67/83/628736783.db2.gz SPWIPEIFAFHQLG-SECBINFHSA-N -1 3 319.800 3.283 20 30 DGEDHM CC[C@@H]1CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000825194897 628736785 /nfs/dbraw/zinc/73/67/85/628736785.db2.gz SPWIPEIFAFHQLG-SECBINFHSA-N -1 3 319.800 3.283 20 30 DGEDHM CCCCCN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825267291 628744844 /nfs/dbraw/zinc/74/48/44/628744844.db2.gz KJGOMFXPVMFKBK-UHFFFAOYSA-N -1 3 312.299 3.473 20 30 DGEDHM CCCCCN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825267291 628744845 /nfs/dbraw/zinc/74/48/45/628744845.db2.gz KJGOMFXPVMFKBK-UHFFFAOYSA-N -1 3 312.299 3.473 20 30 DGEDHM COc1cc(-c2nnn[n-]2)ccc1CSc1ccc(C#N)cc1 ZINC000826173706 628831875 /nfs/dbraw/zinc/83/18/75/628831875.db2.gz QNIOBTKTEHTROA-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM COc1cc(-c2nn[n-]n2)ccc1CSc1ccc(C#N)cc1 ZINC000826173706 628831878 /nfs/dbraw/zinc/83/18/78/628831878.db2.gz QNIOBTKTEHTROA-UHFFFAOYSA-N -1 3 323.381 3.039 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826294620 628841118 /nfs/dbraw/zinc/84/11/18/628841118.db2.gz XHGWOBCBCNSCHK-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)CC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826294620 628841121 /nfs/dbraw/zinc/84/11/21/628841121.db2.gz XHGWOBCBCNSCHK-QPEQYQDCSA-N -1 3 320.327 3.137 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000826294083 628841192 /nfs/dbraw/zinc/84/11/92/628841192.db2.gz ILAUMTPDJRHARD-GHXNOFRVSA-N -1 3 322.393 3.449 20 30 DGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CC2 ZINC000826294083 628841197 /nfs/dbraw/zinc/84/11/97/628841197.db2.gz ILAUMTPDJRHARD-GHXNOFRVSA-N -1 3 322.393 3.449 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1F ZINC000826399649 628850185 /nfs/dbraw/zinc/85/01/85/628850185.db2.gz BHQOIKYNIRVMHN-RMKNXTFCSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1F ZINC000826399649 628850187 /nfs/dbraw/zinc/85/01/87/628850187.db2.gz BHQOIKYNIRVMHN-RMKNXTFCSA-N -1 3 312.279 3.041 20 30 DGEDHM N#CCc1ccc(CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826382379 628850203 /nfs/dbraw/zinc/85/02/03/628850203.db2.gz BQCGKDBQUUONMW-UHFFFAOYSA-N -1 3 307.382 3.225 20 30 DGEDHM N#CCc1ccc(CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826382379 628850209 /nfs/dbraw/zinc/85/02/09/628850209.db2.gz BQCGKDBQUUONMW-UHFFFAOYSA-N -1 3 307.382 3.225 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc(F)c1F ZINC000826400066 628851451 /nfs/dbraw/zinc/85/14/51/628851451.db2.gz OAUFFRHYHBYXHR-GQCTYLIASA-N -1 3 318.308 3.103 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000826400961 628851495 /nfs/dbraw/zinc/85/14/95/628851495.db2.gz LZEJRZJPHLATLK-FPLPWBNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000826400961 628851496 /nfs/dbraw/zinc/85/14/96/628851496.db2.gz LZEJRZJPHLATLK-FPLPWBNLSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826399806 628851669 /nfs/dbraw/zinc/85/16/69/628851669.db2.gz GTINCBAUHJSMQY-LZCJLJQNSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826399806 628851670 /nfs/dbraw/zinc/85/16/70/628851670.db2.gz GTINCBAUHJSMQY-LZCJLJQNSA-N -1 3 312.279 3.041 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475799 628853133 /nfs/dbraw/zinc/85/31/33/628853133.db2.gz QYYZZTSUJWIMLN-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM O=C1c2ccc(F)cc2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475799 628853134 /nfs/dbraw/zinc/85/31/34/628853134.db2.gz QYYZZTSUJWIMLN-UKTHLTGXSA-N -1 3 320.327 3.218 20 30 DGEDHM CCOc1cccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000830099321 629225023 /nfs/dbraw/zinc/22/50/23/629225023.db2.gz CJEXDHQEINBLIR-UGSOOPFHSA-N -1 3 324.380 3.433 20 30 DGEDHM C#CC[C@@H](NCc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000833360996 629591274 /nfs/dbraw/zinc/59/12/74/629591274.db2.gz UZNFIOHFBAHSRU-HNAYVOBHSA-N -1 3 323.392 3.393 20 30 DGEDHM C#CC[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000844004763 630706236 /nfs/dbraw/zinc/70/62/36/630706236.db2.gz FJPXZBBDRPIPFR-OAHLLOKOSA-N -1 3 303.377 3.116 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000844489018 630734227 /nfs/dbraw/zinc/73/42/27/630734227.db2.gz GYWFEBKDDDDWBW-NEPJUHHUSA-N -1 3 324.450 3.003 20 30 DGEDHM N#CC(C(=O)[C@H]1CC1(Cl)Cl)=C([O-])C1(c2ccccc2)CC1 ZINC000845839457 631198469 /nfs/dbraw/zinc/19/84/69/631198469.db2.gz HNNKSJJPICGPPN-VXGBXAGGSA-N -1 3 322.191 3.190 20 30 DGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CC1(Cl)Cl ZINC000845839457 631198470 /nfs/dbraw/zinc/19/84/70/631198470.db2.gz HNNKSJJPICGPPN-VXGBXAGGSA-N -1 3 322.191 3.190 20 30 DGEDHM C[C@H](C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1)c1ccco1 ZINC000845841228 631198517 /nfs/dbraw/zinc/19/85/17/631198517.db2.gz LUAVMOMYUWVFPT-DZGCQCFKSA-N -1 3 307.349 3.393 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1ncc(-c2ccc(C)cc2)o1 ZINC000846536942 631256361 /nfs/dbraw/zinc/25/63/61/631256361.db2.gz CEDIUIGXZRUEAW-UHFFFAOYSA-N -1 3 300.358 3.207 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)C2CCC(F)(F)CC2)c1[O-] ZINC000846757116 631296520 /nfs/dbraw/zinc/29/65/20/631296520.db2.gz SPBLRGYLEHXASW-ZICXGBCOSA-N -1 3 312.360 3.221 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@]12OCCC[C@H]1C2(F)F ZINC000849171603 631852429 /nfs/dbraw/zinc/85/24/29/631852429.db2.gz AQYAHEDKJBZHFF-AAMOUYDFSA-N -1 3 301.720 3.279 20 30 DGEDHM CC[C@@H](Cc1ccc(F)cc1)/N=C\c1c([O-])c(C)ncc1CO ZINC000849170626 631852879 /nfs/dbraw/zinc/85/28/79/631852879.db2.gz RNKZSKUZLPLEEC-QZPXRHMKSA-N -1 3 316.376 3.167 20 30 DGEDHM [O-]c1ccc(F)c(C=NNCc2cccc3cccnc32)c1F ZINC000794494567 661087335 /nfs/dbraw/zinc/08/73/35/661087335.db2.gz WKIVDEPASXQKBT-UHFFFAOYSA-N -1 3 313.307 3.342 20 30 DGEDHM [O-]c1ccc(F)c(CN=Nc2nc(-c3ccccc3)no2)c1F ZINC000794501320 661087728 /nfs/dbraw/zinc/08/77/28/661087728.db2.gz FAQJMMBINJZCGN-UHFFFAOYSA-N -1 3 316.267 3.166 20 30 DGEDHM COc1ccc2c(c1)O/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794941289 661115082 /nfs/dbraw/zinc/11/50/82/661115082.db2.gz NDNMIKJSFNZIBU-VGOFMYFVSA-N -1 3 304.248 3.295 20 30 DGEDHM C=CCN1C(=O)/C(=C/c2c(F)ccc([O-])c2F)SC1=S ZINC000794926711 661113916 /nfs/dbraw/zinc/11/39/16/661113916.db2.gz MVOMXJOIKLSNQF-POHAHGRESA-N -1 3 313.350 3.058 20 30 DGEDHM N#Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)c(C2CC2)c1 ZINC000933846115 655735699 /nfs/dbraw/zinc/73/56/99/655735699.db2.gz BZNATFILDBPBQS-HNNXBMFYSA-N -1 3 301.346 3.015 20 30 DGEDHM N#Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)c(C2CC2)c1 ZINC000933846115 655735701 /nfs/dbraw/zinc/73/57/01/655735701.db2.gz BZNATFILDBPBQS-HNNXBMFYSA-N -1 3 301.346 3.015 20 30 DGEDHM Cn1c(=O)oc2ccc(N=Cc3cc(Cl)ccc3[O-])cc21 ZINC000255524253 655790839 /nfs/dbraw/zinc/79/08/39/655790839.db2.gz XMWACTDTTKTYEQ-UHFFFAOYSA-N -1 3 302.717 3.241 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(O)cc2)c(OC)cc1[O-] ZINC000255893564 655958839 /nfs/dbraw/zinc/95/88/39/655958839.db2.gz HYKIGOBRTMTLEX-YVMONPNESA-N -1 3 300.310 3.011 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cnc3ccccc3c2)c1 ZINC000811188031 661231137 /nfs/dbraw/zinc/23/11/37/661231137.db2.gz SZHPSRDGOYTTTA-UHFFFAOYSA-N -1 3 304.305 3.169 20 30 DGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cc(F)ccc1F ZINC000811186827 661231173 /nfs/dbraw/zinc/23/11/73/661231173.db2.gz AAEXUHTWBRINNI-SECBINFHSA-N -1 3 303.264 3.460 20 30 DGEDHM CS(=O)(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000031643230 658831094 /nfs/dbraw/zinc/83/10/94/658831094.db2.gz ORBOWEACYXLCQD-LICLKQGHSA-N -1 3 323.801 3.068 20 30 DGEDHM C#CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)c1ccccn1 ZINC000172026736 659311790 /nfs/dbraw/zinc/31/17/90/659311790.db2.gz OARSBPFUJTWBQH-MRXNPFEDSA-N -1 3 321.336 3.295 20 30 DGEDHM C#CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)n[n-]1)c1ccccn1 ZINC000172026736 659311793 /nfs/dbraw/zinc/31/17/93/659311793.db2.gz OARSBPFUJTWBQH-MRXNPFEDSA-N -1 3 321.336 3.295 20 30 DGEDHM C#Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(Cl)c1 ZINC001585668314 1192273355 /nfs/dbraw/zinc/27/33/55/1192273355.db2.gz KEYZJPXWTAZRFO-UHFFFAOYSA-N -1 3 322.751 3.415 20 30 DGEDHM C#CCCCCCCOc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001588346151 1192444970 /nfs/dbraw/zinc/44/49/70/1192444970.db2.gz ZOLYKNITGYVGBQ-UHFFFAOYSA-N -1 3 304.781 3.483 20 30 DGEDHM C#CCCCCCCOc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001588346151 1192444971 /nfs/dbraw/zinc/44/49/71/1192444971.db2.gz ZOLYKNITGYVGBQ-UHFFFAOYSA-N -1 3 304.781 3.483 20 30 DGEDHM C=C(C)COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001588428752 1192447454 /nfs/dbraw/zinc/44/74/54/1192447454.db2.gz AFBAJDSXDAQDCJ-UHFFFAOYSA-N -1 3 320.352 3.267 20 30 DGEDHM C=C(C)COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001588428752 1192447457 /nfs/dbraw/zinc/44/74/57/1192447457.db2.gz AFBAJDSXDAQDCJ-UHFFFAOYSA-N -1 3 320.352 3.267 20 30 DGEDHM C=C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001588526186 1192448619 /nfs/dbraw/zinc/44/86/19/1192448619.db2.gz RIDCNADVFRFMDL-VNDWYCCKSA-N -1 3 312.373 3.024 20 30 DGEDHM C=C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001588526186 1192448620 /nfs/dbraw/zinc/44/86/20/1192448620.db2.gz RIDCNADVFRFMDL-VNDWYCCKSA-N -1 3 312.373 3.024 20 30 DGEDHM C=C[C@H](CC)CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588525600 1192448642 /nfs/dbraw/zinc/44/86/42/1192448642.db2.gz JEISCBIJDBOPJC-NWDGAFQWSA-N -1 3 300.362 3.073 20 30 DGEDHM C=C[C@H](CC)CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588525600 1192448646 /nfs/dbraw/zinc/44/86/46/1192448646.db2.gz JEISCBIJDBOPJC-NWDGAFQWSA-N -1 3 300.362 3.073 20 30 DGEDHM C=CC[C@H]1CCCN(c2cc(C)cc(F)c2-c2nnn[n-]2)C1 ZINC001588560343 1192450703 /nfs/dbraw/zinc/45/07/03/1192450703.db2.gz PIKFJUUZUOKODT-LBPRGKRZSA-N -1 3 301.369 3.107 20 30 DGEDHM C=CC[C@H]1CCCN(c2cc(C)cc(F)c2-c2nn[n-]n2)C1 ZINC001588560343 1192450706 /nfs/dbraw/zinc/45/07/06/1192450706.db2.gz PIKFJUUZUOKODT-LBPRGKRZSA-N -1 3 301.369 3.107 20 30 DGEDHM C=CCCCC[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588593277 1192451010 /nfs/dbraw/zinc/45/10/10/1192451010.db2.gz AFKOPZQZBPFIII-LBPRGKRZSA-N -1 3 301.394 3.422 20 30 DGEDHM C=CCCCC[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588593277 1192451013 /nfs/dbraw/zinc/45/10/13/1192451013.db2.gz AFKOPZQZBPFIII-LBPRGKRZSA-N -1 3 301.394 3.422 20 30 DGEDHM C=CCCCN[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588600777 1192451312 /nfs/dbraw/zinc/45/13/12/1192451312.db2.gz PHJKCXCCDHGPFZ-GFCCVEGCSA-N -1 3 311.311 3.026 20 30 DGEDHM C=CCCCN[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588600777 1192451316 /nfs/dbraw/zinc/45/13/16/1192451316.db2.gz PHJKCXCCDHGPFZ-GFCCVEGCSA-N -1 3 311.311 3.026 20 30 DGEDHM C=CCCCNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001588600715 1192451920 /nfs/dbraw/zinc/45/19/20/1192451920.db2.gz MVMAYVLNNUMXJW-UHFFFAOYSA-N -1 3 315.274 3.403 20 30 DGEDHM C=CCCCNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001588600715 1192451921 /nfs/dbraw/zinc/45/19/21/1192451921.db2.gz MVMAYVLNNUMXJW-UHFFFAOYSA-N -1 3 315.274 3.403 20 30 DGEDHM CC#CCCCC(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001588745838 1192452894 /nfs/dbraw/zinc/45/28/94/1192452894.db2.gz FTJVEAKNNUBUCM-UHFFFAOYSA-N -1 3 319.368 3.152 20 30 DGEDHM CC#CCCCC(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001588745838 1192452898 /nfs/dbraw/zinc/45/28/98/1192452898.db2.gz FTJVEAKNNUBUCM-UHFFFAOYSA-N -1 3 319.368 3.152 20 30 DGEDHM CC(C)(CCC#N)CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001589272465 1192462302 /nfs/dbraw/zinc/46/23/02/1192462302.db2.gz NAARLVZYRCNHMN-UHFFFAOYSA-N -1 3 321.388 3.157 20 30 DGEDHM CC(C)(CCC#N)CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001589272465 1192462305 /nfs/dbraw/zinc/46/23/05/1192462305.db2.gz NAARLVZYRCNHMN-UHFFFAOYSA-N -1 3 321.388 3.157 20 30 DGEDHM C[C@H](ON=Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590019466 1192482499 /nfs/dbraw/zinc/48/24/99/1192482499.db2.gz FCCBDCPTTSYIOH-NSHDSACASA-N -1 3 311.320 3.118 20 30 DGEDHM C[C@H](ON=Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590019466 1192482505 /nfs/dbraw/zinc/48/25/05/1192482505.db2.gz FCCBDCPTTSYIOH-NSHDSACASA-N -1 3 311.320 3.118 20 30 DGEDHM C[C@@H](c1cccc(C#N)c1)N(C)c1cc(F)ccc1-c1nnn[n-]1 ZINC001590048336 1192486663 /nfs/dbraw/zinc/48/66/63/1192486663.db2.gz FUUPRHVSJZMMKY-NSHDSACASA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@@H](c1cccc(C#N)c1)N(C)c1cc(F)ccc1-c1nn[n-]n1 ZINC001590048336 1192486664 /nfs/dbraw/zinc/48/66/64/1192486664.db2.gz FUUPRHVSJZMMKY-NSHDSACASA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@@H]1CCC[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)[C@@H]1C ZINC001590244096 1192497683 /nfs/dbraw/zinc/49/76/83/1192497683.db2.gz RNBMBKVSHHURQM-YRGRVCCFSA-N -1 3 310.405 3.223 20 30 DGEDHM C[C@@H]1CCC[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)[C@@H]1C ZINC001590244096 1192497685 /nfs/dbraw/zinc/49/76/85/1192497685.db2.gz RNBMBKVSHHURQM-YRGRVCCFSA-N -1 3 310.405 3.223 20 30 DGEDHM CC[C@H](C#N)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC001590368086 1192504646 /nfs/dbraw/zinc/50/46/46/1192504646.db2.gz UUZDXKZQKFWBKX-GFCCVEGCSA-N -1 3 322.397 3.323 20 30 DGEDHM CC[C@H](C#N)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC001590368086 1192504647 /nfs/dbraw/zinc/50/46/47/1192504647.db2.gz UUZDXKZQKFWBKX-GFCCVEGCSA-N -1 3 322.397 3.323 20 30 DGEDHM CCCCCCCC(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1 ZINC001590592835 1192529634 /nfs/dbraw/zinc/52/96/34/1192529634.db2.gz MKBLQNWIEKTPJK-UHFFFAOYSA-N -1 3 322.800 3.214 20 30 DGEDHM CCCCCCCC(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1 ZINC001590592835 1192529637 /nfs/dbraw/zinc/52/96/37/1192529637.db2.gz MKBLQNWIEKTPJK-UHFFFAOYSA-N -1 3 322.800 3.214 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)s1 ZINC001590888059 1192554621 /nfs/dbraw/zinc/55/46/21/1192554621.db2.gz FLQVYTMRYVFMKD-MDZDMXLPSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)s1 ZINC001590888059 1192554624 /nfs/dbraw/zinc/55/46/24/1192554624.db2.gz FLQVYTMRYVFMKD-MDZDMXLPSA-N -1 3 310.382 3.387 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1C ZINC001591582650 1192567502 /nfs/dbraw/zinc/56/75/02/1192567502.db2.gz HAGGSYQMPZNTAN-CLFYSBASSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1C ZINC001591582650 1192567505 /nfs/dbraw/zinc/56/75/05/1192567505.db2.gz HAGGSYQMPZNTAN-CLFYSBASSA-N -1 3 320.352 3.080 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1C ZINC001592144977 1192594791 /nfs/dbraw/zinc/59/47/91/1192594791.db2.gz SMIMPVFQXPHZNW-LZYBPNLTSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1C ZINC001592144977 1192594793 /nfs/dbraw/zinc/59/47/93/1192594793.db2.gz SMIMPVFQXPHZNW-LZYBPNLTSA-N -1 3 316.364 3.306 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1C[C@H](c2ccccc2)C1 ZINC001592699695 1192627302 /nfs/dbraw/zinc/62/73/02/1192627302.db2.gz IRVVTCIIXFLNEM-SHTZXODSSA-N -1 3 316.368 3.096 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1C[C@H](c2ccccc2)C1 ZINC001592699695 1192627303 /nfs/dbraw/zinc/62/73/03/1192627303.db2.gz IRVVTCIIXFLNEM-SHTZXODSSA-N -1 3 316.368 3.096 20 30 DGEDHM N#Cc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1F ZINC001592694144 1192625636 /nfs/dbraw/zinc/62/56/36/1192625636.db2.gz MOEIUBUFYIXSQU-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1F ZINC001592694144 1192625638 /nfs/dbraw/zinc/62/56/38/1192625638.db2.gz MOEIUBUFYIXSQU-UHFFFAOYSA-N -1 3 311.345 3.170 20 30 DGEDHM N#Cc1ccc(F)cc1Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001592694398 1192626220 /nfs/dbraw/zinc/62/62/20/1192626220.db2.gz FKVNLFKXLGSTIS-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM N#Cc1ccc(F)cc1Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001592694398 1192626223 /nfs/dbraw/zinc/62/62/23/1192626223.db2.gz FKVNLFKXLGSTIS-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM N#CC1CCC(CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592673025 1192626479 /nfs/dbraw/zinc/62/64/79/1192626479.db2.gz STGVSTFIJXOCAU-UHFFFAOYSA-N -1 3 313.430 3.430 20 30 DGEDHM N#CC1CCC(CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592673025 1192626482 /nfs/dbraw/zinc/62/64/82/1192626482.db2.gz STGVSTFIJXOCAU-UHFFFAOYSA-N -1 3 313.430 3.430 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1ccccc1-c1nnn[n-]1 ZINC001592804455 1192627715 /nfs/dbraw/zinc/62/77/15/1192627715.db2.gz ZYFKKEAVQRXVNX-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1ccccc1-c1nn[n-]n1 ZINC001592804455 1192627716 /nfs/dbraw/zinc/62/77/16/1192627716.db2.gz ZYFKKEAVQRXVNX-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM CN1CCc2c(C#N)c(Nc3cc(F)c([O-])c(F)c3)sc2C1 ZINC001213370938 1176530417 /nfs/dbraw/zinc/53/04/17/1176530417.db2.gz POXDWAMWRIFUHU-UHFFFAOYSA-N -1 3 321.352 3.335 20 30 DGEDHM Cc1cc2cc(CN[C@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2[nH]1 ZINC001600308353 1192829144 /nfs/dbraw/zinc/82/91/44/1192829144.db2.gz ADBANOIYBFJZML-SFHVURJKSA-N -1 3 319.364 3.264 20 30 DGEDHM Cc1ccc([C@@H](NCc2ccc(F)c(C#N)c2)C(=O)[O-])cc1C ZINC001600383941 1192840679 /nfs/dbraw/zinc/84/06/79/1192840679.db2.gz BYCBSYZGBUCVBX-QGZVFWFLSA-N -1 3 312.344 3.230 20 30 DGEDHM C=CCCC[C@H](NCc1cn(C)nc1C(=O)[O-])c1ccccc1 ZINC001332436024 1178446218 /nfs/dbraw/zinc/44/62/18/1178446218.db2.gz AYCRZPFLNWAMFZ-INIZCTEOSA-N -1 3 313.401 3.306 20 30 DGEDHM COc1cc([N-]C(=O)c2cc(C(C)C)no2)c(F)cc1C#N ZINC001334273910 1178744036 /nfs/dbraw/zinc/74/40/36/1178744036.db2.gz IRJGBJXKHITCCG-UHFFFAOYSA-N -1 3 303.293 3.070 20 30 DGEDHM C#CC[C@@H](OC(=O)c1cccc2[n-]c(C(F)F)nc21)C1CC1 ZINC001342852663 1179196960 /nfs/dbraw/zinc/19/69/60/1179196960.db2.gz DWYYXDZHTMTZAS-GFCCVEGCSA-N -1 3 304.296 3.459 20 30 DGEDHM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1cccc(F)n1 ZINC001343367635 1179262943 /nfs/dbraw/zinc/26/29/43/1179262943.db2.gz JDKUTPMGUXITSW-SNVBAGLBSA-N -1 3 309.222 3.125 20 30 DGEDHM N#CC(=C([O-])c1ccc(Cl)cc1)c1nc(N)c2ccccc2n1 ZINC001344544762 1179449300 /nfs/dbraw/zinc/44/93/00/1179449300.db2.gz WHUGQJNOYJCOHB-ZDUSSCGKSA-N -1 3 322.755 3.355 20 30 DGEDHM CCc1cc(C([O-])=C(C#N)c2ncc(Cl)n2C)cc(Cl)n1 ZINC001344864575 1179488855 /nfs/dbraw/zinc/48/88/55/1179488855.db2.gz TVERLBUIVZLZRU-SNVBAGLBSA-N -1 3 323.183 3.174 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1sc(CC2CC2)nc1C ZINC001347338774 1179797640 /nfs/dbraw/zinc/79/76/40/1179797640.db2.gz VJZPZEBGWYVOQB-GFCCVEGCSA-N -1 3 314.414 3.111 20 30 DGEDHM C=C(C)CN(CCC(C)(C)C(=O)[O-])Cc1cnn(C(C)C)c1 ZINC001602762010 1192996636 /nfs/dbraw/zinc/99/66/36/1192996636.db2.gz NBCQUATUCBBMKL-UHFFFAOYSA-N -1 3 307.438 3.343 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001602787103 1192997468 /nfs/dbraw/zinc/99/74/68/1192997468.db2.gz ZQJDNNQZBKYJEK-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C=CC(C)(C)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001602787103 1192997470 /nfs/dbraw/zinc/99/74/70/1192997470.db2.gz ZQJDNNQZBKYJEK-UHFFFAOYSA-N -1 3 305.769 3.061 20 30 DGEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1cccc(F)c1C#N ZINC001603733762 1193028419 /nfs/dbraw/zinc/02/84/19/1193028419.db2.gz YHLMPJDYXMRQOZ-LLVKDONJSA-N -1 3 322.347 3.075 20 30 DGEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1cccc(F)c1C#N ZINC001603733762 1193028422 /nfs/dbraw/zinc/02/84/22/1193028422.db2.gz YHLMPJDYXMRQOZ-LLVKDONJSA-N -1 3 322.347 3.075 20 30 DGEDHM CC[C@H]1CCCC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604099124 1193050283 /nfs/dbraw/zinc/05/02/83/1193050283.db2.gz GQDNAXSSTAAFSI-JSGCOSHPSA-N -1 3 310.405 3.367 20 30 DGEDHM CC[C@H]1CCCC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604099124 1193050284 /nfs/dbraw/zinc/05/02/84/1193050284.db2.gz GQDNAXSSTAAFSI-JSGCOSHPSA-N -1 3 310.405 3.367 20 30 DGEDHM CC[C@H]1CCCC[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604099123 1193050557 /nfs/dbraw/zinc/05/05/57/1193050557.db2.gz GQDNAXSSTAAFSI-GXTWGEPZSA-N -1 3 310.405 3.367 20 30 DGEDHM CC[C@H]1CCCC[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604099123 1193050561 /nfs/dbraw/zinc/05/05/61/1193050561.db2.gz GQDNAXSSTAAFSI-GXTWGEPZSA-N -1 3 310.405 3.367 20 30 DGEDHM O=C([C@H]1CCc2cccnc21)N([O-])CCCCc1ccccc1 ZINC001472619237 1180780864 /nfs/dbraw/zinc/78/08/64/1180780864.db2.gz CSOSGACYTWJABE-KRWDZBQOSA-N -1 3 310.397 3.352 20 30 DGEDHM C#CCO[N-]C(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC001300669553 1180855635 /nfs/dbraw/zinc/85/56/35/1180855635.db2.gz SVLMPGITCTXDRT-CHWSQXEVSA-N -1 3 314.410 3.251 20 30 DGEDHM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC001604321441 1193064841 /nfs/dbraw/zinc/06/48/41/1193064841.db2.gz FAKIVKJQANCGCA-KGLIPLIRSA-N -1 3 324.380 3.433 20 30 DGEDHM CCc1coc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC001436207108 1181874825 /nfs/dbraw/zinc/87/48/25/1181874825.db2.gz AHLGTHIVDLLNAM-UHFFFAOYSA-N -1 3 308.297 3.016 20 30 DGEDHM Cc1c(NCc2ccc(Cl)cc2C#N)cccc1-c1nnn[n-]1 ZINC001605500160 1193154381 /nfs/dbraw/zinc/15/43/81/1193154381.db2.gz LLTGNKPULUVOMY-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1c(NCc2ccc(Cl)cc2C#N)cccc1-c1nn[n-]n1 ZINC001605500160 1193154393 /nfs/dbraw/zinc/15/43/93/1193154393.db2.gz LLTGNKPULUVOMY-UHFFFAOYSA-N -1 3 324.775 3.312 20 30 DGEDHM Cc1cc(C#N)cc(NCc2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001605588761 1193158150 /nfs/dbraw/zinc/15/81/50/1193158150.db2.gz HSTILHCWLAHDEO-UHFFFAOYSA-N -1 3 318.384 3.276 20 30 DGEDHM Cc1cc(C#N)cc(NCc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001605588761 1193158156 /nfs/dbraw/zinc/15/81/56/1193158156.db2.gz HSTILHCWLAHDEO-UHFFFAOYSA-N -1 3 318.384 3.276 20 30 DGEDHM COc1cc(C(=O)N([O-])Cc2cccc3ccccc32)sn1 ZINC001458017440 1182489760 /nfs/dbraw/zinc/48/97/60/1182489760.db2.gz QDKPQANDNLHLSJ-UHFFFAOYSA-N -1 3 314.366 3.337 20 30 DGEDHM CCCCN([O-])C(=O)c1nn(-c2cccc(F)c2)c2c1CCC2 ZINC001458023037 1182489816 /nfs/dbraw/zinc/48/98/16/1182489816.db2.gz KPAIVDKCTUZTEZ-UHFFFAOYSA-N -1 3 317.364 3.132 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1C ZINC001605834442 1193179140 /nfs/dbraw/zinc/17/91/40/1193179140.db2.gz WDWQPBIMBHILTI-MDZDMXLPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1C ZINC001605834442 1193179143 /nfs/dbraw/zinc/17/91/43/1193179143.db2.gz WDWQPBIMBHILTI-MDZDMXLPSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001605908108 1193184011 /nfs/dbraw/zinc/18/40/11/1193184011.db2.gz VKQZMNNFNSDNGZ-XNTDXEJSSA-N -1 3 316.364 3.306 20 30 DGEDHM Cc1cccc(C)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001605908108 1193184014 /nfs/dbraw/zinc/18/40/14/1193184014.db2.gz VKQZMNNFNSDNGZ-XNTDXEJSSA-N -1 3 316.364 3.306 20 30 DGEDHM N#Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC001606368471 1193199694 /nfs/dbraw/zinc/19/96/94/1193199694.db2.gz OHVFSKDWYSYVJD-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC001606368471 1193199696 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KFVULPVUODQKKS-BONVTDFDSA-N -1 3 317.776 3.050 20 30 DGEDHM CNc1ccc(C#N)cc1NC(=O)c1cnc2cccc([O-])c2c1 ZINC001155541522 1089153149 /nfs/dbraw/zinc/15/31/49/1089153149.db2.gz ZKOZWNFJEDJSKM-UHFFFAOYSA-N -1 3 318.336 3.106 20 30 DGEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC2CC3(CCC3)C2)n1 ZINC001161445883 1089249584 /nfs/dbraw/zinc/24/95/84/1089249584.db2.gz GXSHHRDYDJXCFB-VIZOYTHASA-N -1 3 312.826 3.405 20 30 DGEDHM C#C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(C)C ZINC001156085454 1089379159 /nfs/dbraw/zinc/37/91/59/1089379159.db2.gz XUCUJPJBLUQDQM-SFHVURJKSA-N -1 3 307.393 3.371 20 30 DGEDHM CC(C)c1cc(C(=O)N([O-])CCCCc2ccccc2)nn1C ZINC001161819232 1089421577 /nfs/dbraw/zinc/42/15/77/1089421577.db2.gz PNIOTPNYCXFKAF-UHFFFAOYSA-N -1 3 315.417 3.398 20 30 DGEDHM C[C@H](Oc1cccnc1)C(=O)N([O-])CCCCc1ccccc1 ZINC001161819036 1089422370 /nfs/dbraw/zinc/42/23/70/1089422370.db2.gz LTDKLQCNAWGRSC-HNNXBMFYSA-N -1 3 314.385 3.090 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H](c1ccccc1)n1cccn1 ZINC001161826944 1089427174 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ZINC001649051889 1090578499 /nfs/dbraw/zinc/57/84/99/1090578499.db2.gz KDHWOOLUBYPVEM-UHFFFAOYSA-N -1 3 307.390 3.189 20 30 DGEDHM N#Cc1ccc(Nc2ncc(Br)cc2[O-])cc1F ZINC001204029075 1090875725 /nfs/dbraw/zinc/87/57/25/1090875725.db2.gz VPWCQURNOPLJSE-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001212482807 1090939810 /nfs/dbraw/zinc/93/98/10/1090939810.db2.gz KOUDLJVNFKTABL-RISCZKNCSA-N -1 3 315.385 3.378 20 30 DGEDHM N#Cc1ccc(F)c(C(=O)[N-]c2c3nonc3ccc2Cl)c1 ZINC001128606887 1091071260 /nfs/dbraw/zinc/07/12/60/1091071260.db2.gz MJXYZKQRVPQADL-UHFFFAOYSA-N -1 3 316.679 3.139 20 30 DGEDHM N#Cc1sc([N-]C(=O)c2c(F)ccc(F)c2F)nc1Cl ZINC001128833962 1091096037 /nfs/dbraw/zinc/09/60/37/1091096037.db2.gz PFJQWTGJXNVFKK-UHFFFAOYSA-N -1 3 317.679 3.338 20 30 DGEDHM CS(=O)(=O)c1cc(-c2ccc3c(c2)CC/C3=N/[O-])ccc1F ZINC001205302703 1091173319 /nfs/dbraw/zinc/17/33/19/1091173319.db2.gz YEZRLGRQVDRBQT-SDXDJHTJSA-N -1 3 319.357 3.021 20 30 DGEDHM CCN(C)C(=O)c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1 ZINC001206510819 1091655981 /nfs/dbraw/zinc/65/59/81/1091655981.db2.gz AYEOLGPJTJSINJ-YBFXNURJSA-N -1 3 300.333 3.393 20 30 DGEDHM CN(CCc1cccc(C#N)c1)Cc1c(F)ccc([O-])c1F ZINC001207218396 1091890895 /nfs/dbraw/zinc/89/08/95/1091890895.db2.gz KNURYNLAGDFJPB-UHFFFAOYSA-N -1 3 302.324 3.217 20 30 DGEDHM CN(C)C(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1Cl ZINC001203079217 1092063053 /nfs/dbraw/zinc/06/30/53/1092063053.db2.gz LBRJYQNXAYHNCQ-UHFFFAOYSA-N -1 3 315.760 3.363 20 30 DGEDHM O=C([O-])c1ccc(CN2CCC(C#Cc3ccccc3)CC2)o1 ZINC001140948956 1092075760 /nfs/dbraw/zinc/07/57/60/1092075760.db2.gz HENLVLCYRGIXND-UHFFFAOYSA-N -1 3 309.365 3.242 20 30 DGEDHM Cc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)c2cc(O)ccc2n1 ZINC001150545525 1092791675 /nfs/dbraw/zinc/79/16/75/1092791675.db2.gz PKNKJJRTBNHGFB-UHFFFAOYSA-N -1 3 319.320 3.078 20 30 DGEDHM Cc1nc2ccccc2nc1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001150867086 1092833598 /nfs/dbraw/zinc/83/35/98/1092833598.db2.gz MXFGGTDVFDUWEX-UHFFFAOYSA-N -1 3 324.290 3.340 20 30 DGEDHM N#Cc1cc(NC(=O)c2cc3c[nH]c(Cl)cc-3n2)ccc1[O-] ZINC001151416181 1092897353 /nfs/dbraw/zinc/89/73/53/1092897353.db2.gz PBPRDBCHEPYCJY-UHFFFAOYSA-N -1 3 312.716 3.046 20 30 DGEDHM N#Cc1ncc(Br)cc1Nc1ccc(F)cc1[O-] ZINC001210013934 1093009414 /nfs/dbraw/zinc/00/94/14/1093009414.db2.gz FYEWDEMVQOYMOJ-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM N#Cc1cnc(Nc2cccc(F)c2[O-])c(Br)c1 ZINC001210195113 1093073492 /nfs/dbraw/zinc/07/34/92/1093073492.db2.gz DFJNWXVAQOCNIV-UHFFFAOYSA-N -1 3 308.110 3.304 20 30 DGEDHM N#Cc1cnc2ccnn2c1Nc1cc([O-])cc(C(F)(F)F)c1 ZINC001210822029 1093292233 /nfs/dbraw/zinc/29/22/33/1093292233.db2.gz AWMJQYYMSIIDAU-UHFFFAOYSA-N -1 3 319.246 3.069 20 30 DGEDHM COC(=O)c1sc(Nc2cc(F)c([O-])cc2F)c(C#N)c1C ZINC001215570452 1094004060 /nfs/dbraw/zinc/00/40/60/1094004060.db2.gz GPEARQZYYQDEDW-UHFFFAOYSA-N -1 3 324.308 3.442 20 30 DGEDHM COC(=O)c1cc(C#N)cc(Nc2c(F)ccc(C)c2[O-])c1 ZINC001215742542 1094045167 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CC(=O)c1cccc([O-])c1NC(=O)c1cccc([C@H](C)C#N)c1 ZINC001148616713 1096412772 /nfs/dbraw/zinc/41/27/72/1096412772.db2.gz ABTLPTJKXDTJAC-LLVKDONJSA-N -1 3 308.337 3.474 20 30 DGEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CC[C@@H](OCc3ccccc3)C2)[n-]1 ZINC001225469038 1096440288 /nfs/dbraw/zinc/44/02/88/1096440288.db2.gz XITADHYEIWCJSQ-CVEARBPZSA-N -1 3 324.380 3.484 20 30 DGEDHM Cc1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)nc2c1cccc2C(C)C ZINC001171362641 1096529026 /nfs/dbraw/zinc/52/90/26/1096529026.db2.gz KBLASNUPOHRRFX-LRDDRELGSA-N -1 3 313.401 3.315 20 30 DGEDHM Cc1c(=O)[n-]cnc1O[C@@H](C#C[Si](C)(C)C)c1ccccc1 ZINC001226071797 1096603866 /nfs/dbraw/zinc/60/38/66/1096603866.db2.gz VHQNMCHGQWUCBN-HNNXBMFYSA-N -1 3 312.445 3.492 20 30 DGEDHM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2cccc(/C=N/[O-])c2)C1 ZINC001226110785 1096614326 /nfs/dbraw/zinc/61/43/26/1096614326.db2.gz VRDLTEWZAHCPBX-AKXAMSMASA-N -1 3 320.389 3.271 20 30 DGEDHM CC(=O)c1ccc([O-])c(O[C@H](C#N)c2cccc(F)c2)c1O ZINC001226486345 1096702880 /nfs/dbraw/zinc/70/28/80/1096702880.db2.gz UFSARPRSQMQORS-CQSZACIVSA-N -1 3 301.273 3.083 20 30 DGEDHM CC(C)(C)OC(=O)N1CCC(Oc2cc(C#N)ccc2[O-])CC1 ZINC001227344923 1096918411 /nfs/dbraw/zinc/91/84/11/1096918411.db2.gz HCEVHBQTQZMTOW-UHFFFAOYSA-N -1 3 318.373 3.042 20 30 DGEDHM CCOC(=O)C[C@@H](Oc1cc(C#N)ccc1[O-])c1ccccc1 ZINC001227346795 1096918671 /nfs/dbraw/zinc/91/86/71/1096918671.db2.gz WYHOJWXDRZHGBS-MRXNPFEDSA-N -1 3 311.337 3.337 20 30 DGEDHM COC(=O)[C@@H](Oc1cc(C#N)ccc1[O-])c1cccc(Cl)c1 ZINC001227351291 1096919372 /nfs/dbraw/zinc/91/93/72/1096919372.db2.gz UPKMULZGRRBREJ-HNNXBMFYSA-N -1 3 317.728 3.210 20 30 DGEDHM CCCCOC[C@@H](C)OC[C@@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227349165 1096919691 /nfs/dbraw/zinc/91/96/91/1096919691.db2.gz FPEUMLKNVYRAAH-ZIAGYGMSSA-N -1 3 307.390 3.253 20 30 DGEDHM C=CC[C@@H](C)Oc1cccc([O-])c1I ZINC001227374987 1096923141 /nfs/dbraw/zinc/92/31/41/1096923141.db2.gz CAMHPKDMNYPBLZ-MRVPVSSYSA-N -1 3 304.127 3.340 20 30 DGEDHM C=C[C@@H](CCCCCCC)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1 ZINC001227430616 1096930839 /nfs/dbraw/zinc/93/08/39/1096930839.db2.gz MWTGTQSZCBSOQO-JTQLQIEISA-N -1 3 306.366 3.058 20 30 DGEDHM C=C[C@@H](CCCCCCC)Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1 ZINC001227430616 1096930844 /nfs/dbraw/zinc/93/08/44/1096930844.db2.gz MWTGTQSZCBSOQO-JTQLQIEISA-N -1 3 306.366 3.058 20 30 DGEDHM C#C[C@@H](CC(C)C)Oc1cc([O-])cc2c1C(=O)OC(C)(C)O2 ZINC001228079686 1097047260 /nfs/dbraw/zinc/04/72/60/1097047260.db2.gz QJYVOTYETOJGSV-LBPRGKRZSA-N -1 3 304.342 3.104 20 30 DGEDHM O=C1OCC[C@@H]1Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228122350 1097055229 /nfs/dbraw/zinc/05/52/29/1097055229.db2.gz BXKFBFRGRQKXKF-KRWDZBQOSA-N -1 3 324.336 3.191 20 30 DGEDHM C[C@H](CON)Oc1ccccc1N=CC=Nc1ccccc1[O-] ZINC001228126219 1097056835 /nfs/dbraw/zinc/05/68/35/1097056835.db2.gz BFVLBBBSKCGNCT-CYBMUJFWSA-N -1 3 313.357 3.155 20 30 DGEDHM C=C[C@]1(C)CC[C@@H](C(C)(C)Oc2n[n-]c(-c3ccncc3)n2)O1 ZINC001228696872 1097171114 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COc1ccc(Cn2cc(Nc3cc(C#N)ccc3[O-])cn2)cc1 ZINC001174437893 1097714952 /nfs/dbraw/zinc/71/49/52/1097714952.db2.gz WYNRYONXVKLUOQ-UHFFFAOYSA-N -1 3 320.352 3.261 20 30 DGEDHM CCO[C@@H](C)n1cc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001174697240 1097829070 /nfs/dbraw/zinc/82/90/70/1097829070.db2.gz WPEYPSFJDRYPMW-JTQLQIEISA-N -1 3 303.366 3.339 20 30 DGEDHM CC(C)(C)n1cc(C#N)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175424951 1098042332 /nfs/dbraw/zinc/04/23/32/1098042332.db2.gz KCCGMOCKICYHIR-UHFFFAOYSA-N -1 3 307.361 3.038 20 30 DGEDHM Cc1cc(C#N)cc(Cl)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429642 1098044210 /nfs/dbraw/zinc/04/42/10/1098044210.db2.gz LUDBMRATPZEBTG-UHFFFAOYSA-N -1 3 310.748 3.444 20 30 DGEDHM N#CC=C([O-])c1ccccc1OC[C@H]1COc2ccccc2O1 ZINC001233523243 1098362903 /nfs/dbraw/zinc/36/29/03/1098362903.db2.gz WLTICHXBAAREDW-ZDUSSCGKSA-N -1 3 309.321 3.002 20 30 DGEDHM COC(=O)c1cc(C#N)ccc1Nc1cc([O-])cc(Cl)c1 ZINC001176624704 1098394474 /nfs/dbraw/zinc/39/44/74/1098394474.db2.gz 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/nfs/dbraw/zinc/29/91/77/400299177.db2.gz BCKLZXLOUHYZFI-JTQLQIEISA-N -1 3 314.389 3.033 20 30 DGEDHM COc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000610855809 400313352 /nfs/dbraw/zinc/31/33/52/400313352.db2.gz LIDZGVNMAJKPER-UHFFFAOYSA-N -1 3 322.773 3.021 20 30 DGEDHM N#CC[C@H]1CCCN(Cc2cc([O-])ccc2Br)C1 ZINC000597174589 400576530 /nfs/dbraw/zinc/57/65/30/400576530.db2.gz RTYKIZVNANRRPT-LLVKDONJSA-N -1 3 309.207 3.280 20 30 DGEDHM C[C@@H](C#N)N(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000598134350 400748678 /nfs/dbraw/zinc/74/86/78/400748678.db2.gz WEZKYBRVKBAUEH-AWEZNQCLSA-N -1 3 320.392 3.500 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2ccc3ccccc3n2)cnn1C ZINC000613292698 400691727 /nfs/dbraw/zinc/69/17/27/400691727.db2.gz PNHHHNFUJYMRKN-ZDUSSCGKSA-N -1 3 304.353 3.021 20 30 DGEDHM CCc1ccc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000618893205 400711556 /nfs/dbraw/zinc/71/15/56/400711556.db2.gz YSEFGBIQLDBXLF-QGZVFWFLSA-N -1 3 306.365 3.244 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C#N)c3)n[n-]2)o1 ZINC000170854646 400777697 /nfs/dbraw/zinc/77/76/97/400777697.db2.gz DCWIJNRRSPSKLM-UHFFFAOYSA-N -1 3 310.288 3.241 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)c(C#N)c3)[n-]n2)o1 ZINC000170854646 400777704 /nfs/dbraw/zinc/77/77/04/400777704.db2.gz DCWIJNRRSPSKLM-UHFFFAOYSA-N -1 3 310.288 3.241 20 30 DGEDHM Cc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000053524177 400787908 /nfs/dbraw/zinc/78/79/08/400787908.db2.gz JTKYWXQCRSBXGO-GFCCVEGCSA-N -1 3 323.356 3.231 20 30 DGEDHM Cc1cccc(O[C@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000053524177 400787916 /nfs/dbraw/zinc/78/79/16/400787916.db2.gz JTKYWXQCRSBXGO-GFCCVEGCSA-N -1 3 323.356 3.231 20 30 DGEDHM Cc1cccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000053524177 400787921 /nfs/dbraw/zinc/78/79/21/400787921.db2.gz JTKYWXQCRSBXGO-GFCCVEGCSA-N -1 3 323.356 3.231 20 30 DGEDHM Cc1ccc(C(=O)NCc2ccc(C#N)c(Cl)c2)c([O-])c1C ZINC000619781006 400906493 /nfs/dbraw/zinc/90/64/93/400906493.db2.gz OFFBRLAPGWXQIN-UHFFFAOYSA-N -1 3 314.772 3.464 20 30 DGEDHM Cc1nc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)co1 ZINC000619866684 400911355 /nfs/dbraw/zinc/91/13/55/400911355.db2.gz APIZYUNPKNIYJX-SNVBAGLBSA-N -1 3 301.371 3.487 20 30 DGEDHM CC(C)(C#N)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000593948176 400924775 /nfs/dbraw/zinc/92/47/75/400924775.db2.gz UKBPZXNVZKDINV-KRWDZBQOSA-N -1 3 308.381 3.403 20 30 DGEDHM C=CCOc1ccc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1Cl ZINC000629772727 401085386 /nfs/dbraw/zinc/08/53/86/401085386.db2.gz VYDOVSPSDZJHKG-OCCSQVGLSA-N -1 3 323.820 3.447 20 30 DGEDHM CCC1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594776804 401169712 /nfs/dbraw/zinc/16/97/12/401169712.db2.gz JHTPRHAQTVALFI-UHFFFAOYSA-N -1 3 320.439 3.302 20 30 DGEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000594809353 401172314 /nfs/dbraw/zinc/17/23/14/401172314.db2.gz FTUUQDSWXOFJBU-UHFFFAOYSA-N -1 3 323.842 3.067 20 30 DGEDHM C=CC[C@H]1CCN(CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000629366023 401680450 /nfs/dbraw/zinc/68/04/50/401680450.db2.gz FWCJKVBQCRRYOA-LBPRGKRZSA-N -1 3 309.793 3.315 20 30 DGEDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443087430 299777347 /nfs/dbraw/zinc/77/73/47/299777347.db2.gz JQJRSRPDESUZSS-GWCFXTLKSA-N -1 3 312.822 3.069 20 30 DGEDHM Cc1cc(C(=O)[N-]c2nc(-c3cccc(C#N)c3)cs2)on1 ZINC000160774164 292821896 /nfs/dbraw/zinc/82/18/96/292821896.db2.gz MXFDQBCZLREURV-UHFFFAOYSA-N -1 3 310.338 3.231 20 30 DGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccs1 ZINC000230337415 165395920 /nfs/dbraw/zinc/39/59/20/165395920.db2.gz VLQJQNBMYKVLHJ-SNVBAGLBSA-N -1 3 312.441 3.111 20 30 DGEDHM COCc1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190919549 432202113 /nfs/dbraw/zinc/20/21/13/432202113.db2.gz LKWBIBMXMYQKEW-OAHLLOKOSA-N -1 3 317.348 3.266 20 30 DGEDHM Cc1c([N-]C(=O)c2c(F)cc(C#N)cc2F)cccc1[N+](=O)[O-] ZINC000153878717 227090476 /nfs/dbraw/zinc/09/04/76/227090476.db2.gz BNBVRKBDNDCDPO-UHFFFAOYSA-N -1 3 317.251 3.305 20 30 DGEDHM N#CCCCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000172408493 228276225 /nfs/dbraw/zinc/27/62/25/228276225.db2.gz KYGDEIFTZLJMAX-UHFFFAOYSA-N -1 3 324.380 3.395 20 30 DGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(F)c1 ZINC000172589557 228276814 /nfs/dbraw/zinc/27/68/14/228276814.db2.gz VXJAKTKYAKAXLD-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM Cc1ccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c([O-])c1 ZINC000331236780 229024373 /nfs/dbraw/zinc/02/43/73/229024373.db2.gz MQBNISBHVFQLBR-LLVKDONJSA-N -1 3 316.323 3.032 20 30 DGEDHM COC1(CNC(=O)c2ccc(C(C)=O)c([O-])c2)CCC(C)CC1 ZINC000331357603 229031425 /nfs/dbraw/zinc/03/14/25/229031425.db2.gz UEILQEPKWVFIQY-UHFFFAOYSA-N -1 3 319.401 3.495 20 30 DGEDHM N#CC(=C([O-])c1ccc(Cl)c2ncccc12)c1ccncn1 ZINC000338648330 229067436 /nfs/dbraw/zinc/06/74/36/229067436.db2.gz RXJQJOYGRLNGIA-GFCCVEGCSA-N -1 3 308.728 3.168 20 30 DGEDHM Cc1cc(C(C#N)=C([O-])c2cnc3ccc(F)cc3c2)nc(C)n1 ZINC000340186663 229086889 /nfs/dbraw/zinc/08/68/89/229086889.db2.gz UBEVMWOXGYBTEA-OAHLLOKOSA-N -1 3 320.327 3.271 20 30 DGEDHM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000344550665 229138152 /nfs/dbraw/zinc/13/81/52/229138152.db2.gz KOPUQZCAAACNTJ-GFCCVEGCSA-N -1 3 324.271 3.100 20 30 DGEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000349448936 229213006 /nfs/dbraw/zinc/21/30/06/229213006.db2.gz TVPZGNSDLYONFT-SECBINFHSA-N -1 3 310.197 3.339 20 30 DGEDHM N#Cc1cc(Cl)cc(OCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000413002062 230107824 /nfs/dbraw/zinc/10/78/24/230107824.db2.gz MYTKWHDCCKAEED-UHFFFAOYSA-N -1 3 301.733 3.164 20 30 DGEDHM C[C@H]1Cc2sc([N-]C(=O)c3cnccn3)c(C#N)c2[C@H](C)C1 ZINC000411021871 267243473 /nfs/dbraw/zinc/24/34/73/267243473.db2.gz XAWNANOWOPBQNS-NXEZZACHSA-N -1 3 312.398 3.348 20 30 DGEDHM CCc1cc(=O)[n-]c(CSCc2cc(C#N)ccc2OC)n1 ZINC000151516435 432254355 /nfs/dbraw/zinc/25/43/55/432254355.db2.gz DUDIVFKOTIXPCY-UHFFFAOYSA-N -1 3 315.398 3.058 20 30 DGEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000112222567 431254579 /nfs/dbraw/zinc/25/45/79/431254579.db2.gz MKSUDJSAAIRBJO-OAHLLOKOSA-N -1 3 302.337 3.066 20 30 DGEDHM N#Cc1ccccc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070975945 431266260 /nfs/dbraw/zinc/26/62/60/431266260.db2.gz HKYZTBBOFRCXDF-LJQANCHMSA-N -1 3 322.408 3.445 20 30 DGEDHM Cc1cc(Cl)cc(NC(=O)COc2ccccc2C#N)c1[O-] ZINC000116979294 431543784 /nfs/dbraw/zinc/54/37/84/431543784.db2.gz SOTZDXUIYYRBDV-UHFFFAOYSA-N -1 3 316.744 3.243 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1 ZINC000123114207 431855972 /nfs/dbraw/zinc/85/59/72/431855972.db2.gz FLKKTBIIZVWVML-UHFFFAOYSA-N -1 3 308.403 3.443 20 30 DGEDHM CCc1cc(=O)[n-]c(CSCc2ccc(F)cc2C#N)n1 ZINC000125638312 431932132 /nfs/dbraw/zinc/93/21/32/431932132.db2.gz YYNHEHNJWDPLNQ-UHFFFAOYSA-N -1 3 303.362 3.189 20 30 DGEDHM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443350724 281034514 /nfs/dbraw/zinc/03/45/14/281034514.db2.gz KMSRAHJCOOMMHS-ZDUSSCGKSA-N -1 3 312.822 3.069 20 30 DGEDHM N#CCOc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128267249 431990300 /nfs/dbraw/zinc/99/03/00/431990300.db2.gz WUOWAMIOMRNYSG-RMKNXTFCSA-N -1 3 312.300 3.086 20 30 DGEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000192154634 432338168 /nfs/dbraw/zinc/33/81/68/432338168.db2.gz OVKDEQWABMKVDI-UHFFFAOYSA-N -1 3 319.430 3.314 20 30 DGEDHM N#Cc1csc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000175065054 432394377 /nfs/dbraw/zinc/39/43/77/432394377.db2.gz UWJCZFQAVXCIQQ-UHFFFAOYSA-N -1 3 313.407 3.464 20 30 DGEDHM Cc1nc(C)c(C(=O)[N-]c2sc3c(c2C#N)CCCC3)o1 ZINC000175596420 432450166 /nfs/dbraw/zinc/45/01/66/432450166.db2.gz QLIHYRKYNIUEQH-UHFFFAOYSA-N -1 3 301.371 3.356 20 30 DGEDHM COc1cccc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1[O-] ZINC000193238527 432459697 /nfs/dbraw/zinc/45/96/97/432459697.db2.gz XFFCEDCZLRBRNA-UHFFFAOYSA-N -1 3 322.364 3.077 20 30 DGEDHM CSc1ccc(C([O-])=C(C#N)c2ccccn2)cc1[N+](=O)[O-] ZINC000193379978 432471213 /nfs/dbraw/zinc/47/12/13/432471213.db2.gz IKYOWGFKLXNLNL-LLVKDONJSA-N -1 3 313.338 3.202 20 30 DGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c1 ZINC000185380534 432496700 /nfs/dbraw/zinc/49/67/00/432496700.db2.gz VZZDZXJQDJTGPE-UHFFFAOYSA-N -1 3 324.833 3.070 20 30 DGEDHM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000193253734 432461398 /nfs/dbraw/zinc/46/13/98/432461398.db2.gz CBLGIJGZGASNOS-OAHLLOKOSA-N -1 3 319.368 3.206 20 30 DGEDHM C[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000186328504 432582410 /nfs/dbraw/zinc/58/24/10/432582410.db2.gz TZFRQAUOURWPHL-ZDUSSCGKSA-N -1 3 306.365 3.347 20 30 DGEDHM COC(=O)c1scc(C)c1[N-]C(=O)c1sccc1C#N ZINC000186965742 432639421 /nfs/dbraw/zinc/63/94/21/432639421.db2.gz SOIYIQKNKHSDFI-UHFFFAOYSA-N -1 3 306.368 3.029 20 30 DGEDHM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1ccccn1 ZINC000159752450 432695922 /nfs/dbraw/zinc/69/59/22/432695922.db2.gz KFAVBAVCTZPIPQ-HNNXBMFYSA-N -1 3 300.321 3.029 20 30 DGEDHM C=C(C)[C@H](NCc1nc(CC)cc(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000187768234 432684042 /nfs/dbraw/zinc/68/40/42/432684042.db2.gz CLFYPVROYXRUIW-KRWDZBQOSA-N -1 3 319.355 3.430 20 30 DGEDHM CCc1ocnc1C(=O)[N-]c1ccccc1SCCC#N ZINC000265794650 432732947 /nfs/dbraw/zinc/73/29/47/432732947.db2.gz SRSMPKUTSRAXHD-UHFFFAOYSA-N -1 3 301.371 3.495 20 30 DGEDHM CCCOc1ccc(/C=N/C[C@@H](O)c2ccc(C)o2)c([O-])c1 ZINC000265885105 432741995 /nfs/dbraw/zinc/74/19/95/432741995.db2.gz WBSYUVRVVWROHI-VHWUNXFSSA-N -1 3 303.358 3.235 20 30 DGEDHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000235870582 432746070 /nfs/dbraw/zinc/74/60/70/432746070.db2.gz FIIGHPMBEUXGJE-UHFFFAOYSA-N -1 3 304.346 3.115 20 30 DGEDHM C=CCCO[C@@H](C)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000278050391 432881224 /nfs/dbraw/zinc/88/12/24/432881224.db2.gz LGKQIODGBVXKSR-NSHDSACASA-N -1 3 304.346 3.495 20 30 DGEDHM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2csc(=O)[n-]2)C1 ZINC000329924943 432883323 /nfs/dbraw/zinc/88/33/23/432883323.db2.gz HXKLYNYDNGJTNK-ZJUUUORDSA-N -1 3 311.407 3.077 20 30 DGEDHM COc1c([O-])c(CN(CCC#N)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278272186 432890724 /nfs/dbraw/zinc/89/07/24/432890724.db2.gz RSSLECQCAQBLCF-UHFFFAOYSA-N -1 3 321.377 3.071 20 30 DGEDHM O=C(NC1CCC(C(=O)NCc2ncccc2[O-])CC1)C1CC1 ZINC000330091374 432892348 /nfs/dbraw/zinc/89/23/48/432892348.db2.gz PVBPHSDGCLGWEY-UHFFFAOYSA-N -1 3 317.389 3.169 20 30 DGEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cnsn3)c(C#N)c2[C@H]1C ZINC000297892786 433029175 /nfs/dbraw/zinc/02/91/75/433029175.db2.gz QKPCUNNAIVPFON-SFYZADRCSA-N -1 3 318.427 3.409 20 30 DGEDHM Cc1sc([N-]C(=O)c2csc([N+](=O)[O-])c2)c(C#N)c1C ZINC000341462674 433071003 /nfs/dbraw/zinc/07/10/03/433071003.db2.gz QEWNILXRKDUMJV-UHFFFAOYSA-N -1 3 307.356 3.459 20 30 DGEDHM Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1/N=C/c1ccccc1[O-] ZINC000281073346 433258331 /nfs/dbraw/zinc/25/83/31/433258331.db2.gz TUSCSQLHJIZEGG-BAOGCXAUSA-N -1 3 324.380 3.061 20 30 DGEDHM CC1(C#N)CCN(C(=O)c2cc([O-])ccc2C(F)(F)F)CC1 ZINC000281185692 433271783 /nfs/dbraw/zinc/27/17/83/433271783.db2.gz MFMXPMROROEFMA-UHFFFAOYSA-N -1 3 312.291 3.177 20 30 DGEDHM CCc1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)ccc1[O-] ZINC000291675222 433309819 /nfs/dbraw/zinc/30/98/19/433309819.db2.gz MEXUSTPMYUEEOI-FQEVSTJZSA-N -1 3 320.392 3.136 20 30 DGEDHM N#Cc1ccc(CN(C(=O)Cc2ccc([O-])c(F)c2)C2CC2)cc1 ZINC000448657573 433478256 /nfs/dbraw/zinc/47/82/56/433478256.db2.gz RDCIMWIJOKVLFS-UHFFFAOYSA-N -1 3 324.355 3.137 20 30 DGEDHM CCc1cc(C#N)c([N-]C(=O)c2occ3c2CCOC3)s1 ZINC000377314041 433853555 /nfs/dbraw/zinc/85/35/55/433853555.db2.gz LLBAQLHTWMQYGB-UHFFFAOYSA-N -1 3 302.355 3.100 20 30 DGEDHM N#Cc1cc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)ccc1F ZINC000352013244 433857565 /nfs/dbraw/zinc/85/75/65/433857565.db2.gz IDBBILNOUFLINJ-HNQUOIGGSA-N -1 3 318.311 3.013 20 30 DGEDHM CC(C)[C@@H](C#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436556866 434012186 /nfs/dbraw/zinc/01/21/86/434012186.db2.gz RLSUZLIXWNSQHG-QGZVFWFLSA-N -1 3 308.381 3.261 20 30 DGEDHM C=CCN(CCC#N)C(=O)c1ccc(OCCCC)cc1[O-] ZINC000436839912 434131866 /nfs/dbraw/zinc/13/18/66/434131866.db2.gz RAVJOJXTNZMYBU-UHFFFAOYSA-N -1 3 302.374 3.113 20 30 DGEDHM N#Cc1cc(F)c(C(=O)[N-]c2nc3c(s2)CCC3)c(F)c1 ZINC000314844173 434152128 /nfs/dbraw/zinc/15/21/28/434152128.db2.gz HJIOOYDZGDPJAA-UHFFFAOYSA-N -1 3 305.309 3.034 20 30 DGEDHM Cn1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000357781521 434177570 /nfs/dbraw/zinc/17/75/70/434177570.db2.gz ASUASCPQENGOIB-NSHDSACASA-N -1 3 314.295 3.260 20 30 DGEDHM CC[C@@H](CC#N)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436967718 434190371 /nfs/dbraw/zinc/19/03/71/434190371.db2.gz RLVLALPPGPYBPU-INIZCTEOSA-N -1 3 308.381 3.405 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000416944107 434257916 /nfs/dbraw/zinc/25/79/16/434257916.db2.gz CXEMMLOKJUVIBG-JTQLQIEISA-N -1 3 306.309 3.058 20 30 DGEDHM Cc1ncc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1 ZINC000516145194 294591236 /nfs/dbraw/zinc/59/12/36/294591236.db2.gz ATDUNBXBRBMCLK-UHFFFAOYSA-N -1 3 310.338 3.231 20 30 DGEDHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C)c2C)ccc1C#N ZINC000417570329 434443527 /nfs/dbraw/zinc/44/35/27/434443527.db2.gz WDNRZSDSUVCJPC-SFHVURJKSA-N -1 3 324.380 3.099 20 30 DGEDHM CC(C)(CC#N)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000457990220 434432033 /nfs/dbraw/zinc/43/20/33/434432033.db2.gz GRHDDYKFCORRGP-UHFFFAOYSA-N -1 3 322.821 3.461 20 30 DGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000463473134 434960956 /nfs/dbraw/zinc/96/09/56/434960956.db2.gz ZERXNKJDFSIRQI-AWEZNQCLSA-N -1 3 322.817 3.320 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccc(OCC)c(OCC)c1 ZINC000493107842 435109165 /nfs/dbraw/zinc/10/91/65/435109165.db2.gz QQUOJWKNVBAMQG-FUWURINLSA-N -1 3 305.374 3.120 20 30 DGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000497105663 435297482 /nfs/dbraw/zinc/29/74/82/435297482.db2.gz HOVJVRQKZUPPTO-UHFFFAOYSA-N -1 3 320.389 3.200 20 30 DGEDHM CC(C)c1cc(C(=O)N[C@]2(C#N)CCOC2)c([O-])c(C(C)C)c1 ZINC000478662033 435308309 /nfs/dbraw/zinc/30/83/09/435308309.db2.gz NXIIIJQTJQEMCY-SFHVURJKSA-N -1 3 316.401 3.051 20 30 DGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000567998212 435378513 /nfs/dbraw/zinc/37/85/13/435378513.db2.gz GMDDNQUXEYQAMW-UHFFFAOYSA-N -1 3 318.398 3.227 20 30 DGEDHM CC(C)[C@@H](C/N=C\c1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000491378905 435737421 /nfs/dbraw/zinc/73/74/21/435737421.db2.gz REILNQFICMYSAI-FNHQQPGVSA-N -1 3 306.406 3.360 20 30 DGEDHM COc1ccnc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000647227306 435981969 /nfs/dbraw/zinc/98/19/69/435981969.db2.gz BFOZCVLKBGNPLF-NSHDSACASA-N -1 3 301.371 3.160 20 30 DGEDHM C=CCCC1(CNC(=O)NCc2ncccc2[O-])CCCC1 ZINC000661531208 436102802 /nfs/dbraw/zinc/10/28/02/436102802.db2.gz LFXXWKKIQLHXTE-UHFFFAOYSA-N -1 3 303.406 3.113 20 30 DGEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sccc1OC ZINC000657036498 436075760 /nfs/dbraw/zinc/07/57/60/436075760.db2.gz IRWHPQBMBTYLSN-RYUDHWBXSA-N -1 3 315.460 3.170 20 30 DGEDHM C=CCCCN(C)[C@@H](C(=O)[O-])c1ccccc1Br ZINC000659787266 436525183 /nfs/dbraw/zinc/52/51/83/436525183.db2.gz CQANDHJVMAZYMT-CYBMUJFWSA-N -1 3 312.207 3.473 20 30 DGEDHM Cc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccccc2Cl)c1 ZINC000179546761 331526986 /nfs/dbraw/zinc/52/69/86/331526986.db2.gz UITDUJKLUPUYCK-CQSZACIVSA-N -1 3 300.745 3.349 20 30 DGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1Cc1ccccc1 ZINC000387960047 333187500 /nfs/dbraw/zinc/18/75/00/333187500.db2.gz GIHPPPAKAXARHI-INIZCTEOSA-N -1 3 314.410 3.321 20 30 DGEDHM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000318847123 333217294 /nfs/dbraw/zinc/21/72/94/333217294.db2.gz WCWPKOOLYSRSRS-UHFFFAOYSA-N -1 3 318.373 3.309 20 30 DGEDHM Cc1ccc(CS(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(F)c1 ZINC000278498205 334096830 /nfs/dbraw/zinc/09/68/30/334096830.db2.gz NEQXSCODFNJDPD-MRXNPFEDSA-N -1 3 324.421 3.026 20 30 DGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3ncoc3C3CC3)[nH]c21 ZINC000551816387 341352822 /nfs/dbraw/zinc/35/28/22/341352822.db2.gz FNRZYHIZUBQJFT-NSHDSACASA-N -1 3 306.325 3.227 20 30 DGEDHM C=CC1CCN(Cc2oc(-c3ccccc3)nc2C(=O)[O-])CC1 ZINC000575188449 341784459 /nfs/dbraw/zinc/78/44/59/341784459.db2.gz ZFVUMLCUDYICSH-UHFFFAOYSA-N -1 3 312.369 3.438 20 30 DGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1C(F)F ZINC000576283715 341838136 /nfs/dbraw/zinc/83/81/36/341838136.db2.gz ZDTWSLSWMGATGO-UHFFFAOYSA-N -1 3 302.346 3.306 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H](C)NC(=O)OC(C)(C)C ZINC001472621363 1183656646 /nfs/dbraw/zinc/65/66/46/1183656646.db2.gz REJSXIOJSJGIBZ-LBPRGKRZSA-N -1 3 302.415 3.088 20 30 DGEDHM C=CC[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000494889212 534327222 /nfs/dbraw/zinc/32/72/22/534327222.db2.gz AWAUIFKPMIJBAA-INIZCTEOSA-N -1 3 319.368 3.165 20 30 DGEDHM C=CC[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000494889212 534327226 /nfs/dbraw/zinc/32/72/26/534327226.db2.gz AWAUIFKPMIJBAA-INIZCTEOSA-N -1 3 319.368 3.165 20 30 DGEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000452041676 534416918 /nfs/dbraw/zinc/41/69/18/534416918.db2.gz MKUQZELUPKJVPQ-UHFFFAOYSA-N -1 3 311.300 3.089 20 30 DGEDHM Cc1sc([N-]C(=O)c2cn(C(C)(C)C)nn2)c(C#N)c1C ZINC000331097225 534609153 /nfs/dbraw/zinc/60/91/53/534609153.db2.gz AZAMCOGQXHYECE-UHFFFAOYSA-N -1 3 303.391 3.219 20 30 DGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(OC)ccc1[O-] ZINC000130191659 526345747 /nfs/dbraw/zinc/34/57/47/526345747.db2.gz MRSKLVFTNMAIGE-UHFFFAOYSA-N -1 3 322.364 3.101 20 30 DGEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000351310334 526495042 /nfs/dbraw/zinc/49/50/42/526495042.db2.gz YJXLSCQRFLNQHN-UHFFFAOYSA-N -1 3 312.373 3.197 20 30 DGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000281578714 527163867 /nfs/dbraw/zinc/16/38/67/527163867.db2.gz QCLGZLKGDVTBPT-LBPRGKRZSA-N -1 3 315.822 3.176 20 30 DGEDHM C=CCn1c(=O)[n-]nc1SCc1nc2ccccc2s1 ZINC000348145778 527333646 /nfs/dbraw/zinc/33/36/46/527333646.db2.gz UVEBXGIVGXMBBV-UHFFFAOYSA-N -1 3 304.400 3.072 20 30 DGEDHM C=CCn1c(S[C@@H](C(=O)c2ccccc2)C(C)C)n[n-]c1=O ZINC000348140668 527333859 /nfs/dbraw/zinc/33/38/59/527333859.db2.gz BNAAWBWQQYCJON-CQSZACIVSA-N -1 3 317.414 3.169 20 30 DGEDHM C=CCCc1ccccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000337502439 527505426 /nfs/dbraw/zinc/50/54/26/527505426.db2.gz DSHHARVMQZUZGE-UHFFFAOYSA-N -1 3 311.385 3.099 20 30 DGEDHM C=CCCc1ccccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000337522124 527511199 /nfs/dbraw/zinc/51/11/99/527511199.db2.gz VUEKQRSGYVTIGL-UHFFFAOYSA-N -1 3 322.368 3.045 20 30 DGEDHM CC(C)CCOc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354478585 527776192 /nfs/dbraw/zinc/77/61/92/527776192.db2.gz VILXONYEPBLFNU-MRXNPFEDSA-N -1 3 309.369 3.392 20 30 DGEDHM CCC1CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC000331245740 527865240 /nfs/dbraw/zinc/86/52/40/527865240.db2.gz UDRISFAQOHDVKI-UHFFFAOYSA-N -1 3 318.417 3.044 20 30 DGEDHM CCCC(C)(C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000169038705 527991815 /nfs/dbraw/zinc/99/18/15/527991815.db2.gz JIDBRWFZKSUAHN-UHFFFAOYSA-N -1 3 300.811 3.069 20 30 DGEDHM CC(C)c1ccc(C(=O)NCCC(=O)N2CCCCC2)c([O-])c1 ZINC000331238307 528054838 /nfs/dbraw/zinc/05/48/38/528054838.db2.gz NSVCPZJICMFMSN-UHFFFAOYSA-N -1 3 318.417 3.223 20 30 DGEDHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000179029220 528589012 /nfs/dbraw/zinc/58/90/12/528589012.db2.gz CUKOGODLWXWZCH-UHFFFAOYSA-N -1 3 316.382 3.066 20 30 DGEDHM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435434641 529003507 /nfs/dbraw/zinc/00/35/07/529003507.db2.gz ZCVJTVUJVLYMRP-AAEUAGOBSA-N -1 3 312.460 3.257 20 30 DGEDHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccn1 ZINC000347352063 529188675 /nfs/dbraw/zinc/18/86/75/529188675.db2.gz XQFYDYUXCYIEIY-WFASDCNBSA-N -1 3 324.384 3.156 20 30 DGEDHM Cc1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000078868602 545754279 /nfs/dbraw/zinc/75/42/79/545754279.db2.gz BCUUMEDAHZGKKC-LLVKDONJSA-N -1 3 312.329 3.429 20 30 DGEDHM Cc1cccc(O[C@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000078868602 545754283 /nfs/dbraw/zinc/75/42/83/545754283.db2.gz BCUUMEDAHZGKKC-LLVKDONJSA-N -1 3 312.329 3.429 20 30 DGEDHM Cc1cccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000078868602 545754284 /nfs/dbraw/zinc/75/42/84/545754284.db2.gz BCUUMEDAHZGKKC-LLVKDONJSA-N -1 3 312.329 3.429 20 30 DGEDHM CCC#C[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000677131972 548457703 /nfs/dbraw/zinc/45/77/03/548457703.db2.gz VKTYDDWEVOKMNS-LBPRGKRZSA-N -1 3 324.409 3.415 20 30 DGEDHM CCc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1C ZINC000682993893 549410222 /nfs/dbraw/zinc/41/02/22/549410222.db2.gz CGGNLDVDOBRUGC-CQSZACIVSA-N -1 3 304.353 3.021 20 30 DGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000730996241 574540980 /nfs/dbraw/zinc/54/09/80/574540980.db2.gz JHZYOWBAKMLBHL-UHFFFAOYSA-N -1 3 315.394 3.116 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@]1(O)CCCc2ccccc21 ZINC000731317794 574546853 /nfs/dbraw/zinc/54/68/53/574546853.db2.gz CSEMQJKNGNAGOW-CNJGYECJSA-N -1 3 311.381 3.044 20 30 DGEDHM CSCc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000731563791 574551864 /nfs/dbraw/zinc/55/18/64/574551864.db2.gz VHANNKRZUHEHHC-UHFFFAOYSA-N -1 3 302.399 3.202 20 30 DGEDHM N#CC(=C([O-])C=CC1CCOCC1)c1ccc2ccccc2n1 ZINC000732707601 574579512 /nfs/dbraw/zinc/57/95/12/574579512.db2.gz BBXDCLGGCCOOJE-CDVVCGDMSA-N -1 3 306.365 3.394 20 30 DGEDHM COC(=O)C[C@H](/N=C\c1ccccc1[O-])c1ccc(OC)cc1 ZINC000732770059 574582103 /nfs/dbraw/zinc/58/21/03/574582103.db2.gz UDLPAOXUYWAVKW-JJBLJPBOSA-N -1 3 313.353 3.124 20 30 DGEDHM Cc1ccc(F)c2c1C(=NNCCCc1ccccc1)C(=O)[N-]2 ZINC000732711875 574579700 /nfs/dbraw/zinc/57/97/00/574579700.db2.gz KWPJMKCVUAYEFL-UHFFFAOYSA-N -1 3 311.360 3.013 20 30 DGEDHM [O-]c1ccc2ccccc2c1/C=N/CCN1CCSCC1 ZINC000732714331 574580005 /nfs/dbraw/zinc/58/00/05/574580005.db2.gz XTDZTEHJDGKYDI-QGOAFFKASA-N -1 3 300.427 3.013 20 30 DGEDHM C[C@@H]1CC(N=Nc2nccnc2Cl)c2c1c(F)ccc2[O-] ZINC000733078575 574594658 /nfs/dbraw/zinc/59/46/58/574594658.db2.gz FUYBLODBKNEOJB-SSDOTTSWSA-N -1 3 306.728 3.298 20 30 DGEDHM O=C1NCCc2ccc(N=Cc3cc(Cl)ccc3[O-])cc21 ZINC000735228729 574691988 /nfs/dbraw/zinc/69/19/88/574691988.db2.gz GLHFMYFUCSCDBG-UHFFFAOYSA-N -1 3 300.745 3.082 20 30 DGEDHM C=CC1CCN(c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1 ZINC000735409674 574701120 /nfs/dbraw/zinc/70/11/20/574701120.db2.gz IKNWEGUQYQPLMF-UHFFFAOYSA-N -1 3 323.322 3.288 20 30 DGEDHM C=CC1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000735409674 574701122 /nfs/dbraw/zinc/70/11/22/574701122.db2.gz IKNWEGUQYQPLMF-UHFFFAOYSA-N -1 3 323.322 3.288 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cccc(-n2cncn2)c1 ZINC000735415035 574702480 /nfs/dbraw/zinc/70/24/80/574702480.db2.gz QAOYFBVMQBTFQZ-GIJQJNRQSA-N -1 3 312.760 3.245 20 30 DGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(C)cc(C)c1 ZINC000735451321 574703303 /nfs/dbraw/zinc/70/33/03/574703303.db2.gz XMRRSKGSCPFRSF-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(C)cc(C)c1 ZINC000735451321 574703304 /nfs/dbraw/zinc/70/33/04/574703304.db2.gz XMRRSKGSCPFRSF-UHFFFAOYSA-N -1 3 306.373 3.320 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736683887 574803060 /nfs/dbraw/zinc/80/30/60/574803060.db2.gz SMOIDWOZGXIMPV-KTKRTIGZSA-N -1 3 310.382 3.387 20 30 DGEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736683887 574803061 /nfs/dbraw/zinc/80/30/61/574803061.db2.gz SMOIDWOZGXIMPV-KTKRTIGZSA-N -1 3 310.382 3.387 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737382485 574841070 /nfs/dbraw/zinc/84/10/70/574841070.db2.gz VVOHICGKPUDGLQ-DHZHZOJOSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737382485 574841073 /nfs/dbraw/zinc/84/10/73/574841073.db2.gz VVOHICGKPUDGLQ-DHZHZOJOSA-N -1 3 304.353 3.380 20 30 DGEDHM FC(F)(F)c1cc(N=NC2CCCC2)ccc1-c1nnn[n-]1 ZINC000737631512 574854024 /nfs/dbraw/zinc/85/40/24/574854024.db2.gz FOKFMCXXHHLRSA-UHFFFAOYSA-N -1 3 310.283 3.227 20 30 DGEDHM FC(F)(F)c1cc(N=NC2CCCC2)ccc1-c1nn[n-]n1 ZINC000737631512 574854027 /nfs/dbraw/zinc/85/40/27/574854027.db2.gz FOKFMCXXHHLRSA-UHFFFAOYSA-N -1 3 310.283 3.227 20 30 DGEDHM O=C1c2cc(Cl)ccc2OC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738290060 574864566 /nfs/dbraw/zinc/86/45/66/574864566.db2.gz MMNGCTUVRIUMOI-VGOFMYFVSA-N -1 3 324.727 3.136 20 30 DGEDHM O=C1c2cc(Cl)ccc2OC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738290060 574864568 /nfs/dbraw/zinc/86/45/68/574864568.db2.gz MMNGCTUVRIUMOI-VGOFMYFVSA-N -1 3 324.727 3.136 20 30 DGEDHM c1ccc(CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000738428603 574869337 /nfs/dbraw/zinc/86/93/37/574869337.db2.gz PJFFEWACSMFZFH-UHFFFAOYSA-N -1 3 318.384 3.287 20 30 DGEDHM c1ccc(CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000738428603 574869339 /nfs/dbraw/zinc/86/93/39/574869339.db2.gz PJFFEWACSMFZFH-UHFFFAOYSA-N -1 3 318.384 3.287 20 30 DGEDHM COc1cccc([O-])c1/C=N\C[C@H](C)Oc1cccc(F)c1 ZINC000741841494 574972981 /nfs/dbraw/zinc/97/29/81/574972981.db2.gz AKAGJJARPSSMRT-XHEYCZLTSA-N -1 3 303.333 3.426 20 30 DGEDHM Cc1cc(C)cc(C[C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000741845198 574973082 /nfs/dbraw/zinc/97/30/82/574973082.db2.gz RXGSQVZMFRJJSI-IPZKOZABSA-N -1 3 312.413 3.255 20 30 DGEDHM COc1cccc([O-])c1/C=N/[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O ZINC000741841951 574973285 /nfs/dbraw/zinc/97/32/85/574973285.db2.gz CUUBNZTZSOQMAY-LQNRHHBYSA-N -1 3 324.380 3.014 20 30 DGEDHM CCC(C[C@@H](C)CC)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743449424 575051813 /nfs/dbraw/zinc/05/18/13/575051813.db2.gz WHVAXQUXIGCPSV-AWEZNQCLSA-N -1 3 310.463 3.351 20 30 DGEDHM CCOc1ccc(C=Nc2ccc3c(c2)CCC(=O)N3C)c([O-])c1 ZINC000729149001 575220237 /nfs/dbraw/zinc/22/02/37/575220237.db2.gz GMSUAZHRHDSEJL-UHFFFAOYSA-N -1 3 324.380 3.451 20 30 DGEDHM CCOc1ccc(C=NNCCCOc2ccccc2)c([O-])c1 ZINC000729150388 575220608 /nfs/dbraw/zinc/22/06/08/575220608.db2.gz UYVZLCSGWBCIHK-UHFFFAOYSA-N -1 3 314.385 3.184 20 30 DGEDHM N#Cc1ccc(NC(=O)CCC2CCCCC2)cc1-c1nnn[n-]1 ZINC000737715535 575226425 /nfs/dbraw/zinc/22/64/25/575226425.db2.gz AHBKPGKZCGICTQ-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM N#Cc1ccc(NC(=O)CCC2CCCCC2)cc1-c1nn[n-]n1 ZINC000737715535 575226428 /nfs/dbraw/zinc/22/64/28/575226428.db2.gz AHBKPGKZCGICTQ-UHFFFAOYSA-N -1 3 324.388 3.037 20 30 DGEDHM CCOc1cccc([C@H](C)/N=C\c2ccc(O)c([O-])c2O)c1 ZINC000745012265 575368796 /nfs/dbraw/zinc/36/87/96/575368796.db2.gz IJWHZJDXVYWBIJ-TZQXVGBESA-N -1 3 301.342 3.382 20 30 DGEDHM Cc1ncsc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000746482556 575454761 /nfs/dbraw/zinc/45/47/61/575454761.db2.gz UPIGYQWQICQANF-UHFFFAOYSA-N -1 3 322.733 3.137 20 30 DGEDHM CC(=NOCc1cccnc1)c1cc(Br)ccc1[O-] ZINC000746585957 575463263 /nfs/dbraw/zinc/46/32/63/575463263.db2.gz PMVMNFXAVJKVEI-UHFFFAOYSA-N -1 3 321.174 3.491 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCN(CC(F)(F)F)C1 ZINC000747033372 575491241 /nfs/dbraw/zinc/49/12/41/575491241.db2.gz QUUWSSRLODXMFT-LPCKLDLISA-N -1 3 306.715 3.101 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCCSC1 ZINC000749007148 575620421 /nfs/dbraw/zinc/62/04/21/575620421.db2.gz BWVMSYMZMKFBRI-DKTFCQPKSA-N -1 3 300.221 3.469 20 30 DGEDHM CC1(O)CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000749843734 575682575 /nfs/dbraw/zinc/68/25/75/575682575.db2.gz FVVYXQWKRLFBTM-SXGWCWSVSA-N -1 3 312.207 3.267 20 30 DGEDHM [O-]c1c(O)ccc(/C=N/C[C@H]2SCCc3ccccc32)c1O ZINC000749845399 575683352 /nfs/dbraw/zinc/68/33/52/575683352.db2.gz QPEDEHHFDUXVAK-QANDDYDISA-N -1 3 315.394 3.253 20 30 DGEDHM O=C1[C@@H](/N=C/c2ccccc2[O-])CCN1CCCc1ccccc1 ZINC000749931769 575689955 /nfs/dbraw/zinc/68/99/55/575689955.db2.gz WGAPIALXYQIKHY-CQHJRZBDSA-N -1 3 322.408 3.045 20 30 DGEDHM Cc1cccnc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000750684195 575745025 /nfs/dbraw/zinc/74/50/25/575745025.db2.gz MWVAXJKMAXBZSU-LLVKDONJSA-N -1 3 313.744 3.005 20 30 DGEDHM CCc1cccc2c1OCC[C@@H]2/N=C/c1ccc(O)c([O-])c1O ZINC000750950450 575764119 /nfs/dbraw/zinc/76/41/19/575764119.db2.gz VSBZWLPJNRNFTD-FVOVHSBVSA-N -1 3 313.353 3.309 20 30 DGEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCOc2c(OC)cccc21 ZINC000750949714 575764310 /nfs/dbraw/zinc/76/43/10/575764310.db2.gz IBCQURRGFVRZSV-AXLWCPOOSA-N -1 3 313.353 3.352 20 30 DGEDHM COc1cccc([O-])c1/C=N/Cc1ccc2c(c1)OCCCO2 ZINC000727265533 576115941 /nfs/dbraw/zinc/11/59/41/576115941.db2.gz SQMRYPQLMCQHHV-XDHOZWIPSA-N -1 3 313.353 3.181 20 30 DGEDHM Cc1ncc(CO)c(/C=N\CCCCCc2ccccc2)c1[O-] ZINC000727653091 576136906 /nfs/dbraw/zinc/13/69/06/576136906.db2.gz DCFHDVRQHJEBHD-MOSHPQCFSA-N -1 3 312.413 3.420 20 30 DGEDHM Cc1cc(C(=O)/C=C/c2ccccc2-n2cncn2)ccc1[O-] ZINC000728231720 576170855 /nfs/dbraw/zinc/17/08/55/576170855.db2.gz NYXVHSRNHXZUKZ-RMKNXTFCSA-N -1 3 305.337 3.177 20 30 DGEDHM COc1cccc([O-])c1C=Nc1ccc2c(c1)CCCC(=O)N2 ZINC000728438425 576181956 /nfs/dbraw/zinc/18/19/56/576181956.db2.gz WWHWJJHKEQKACQ-UHFFFAOYSA-N -1 3 310.353 3.426 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCc3cc(Cl)ccc32)c1[O-] ZINC000920176946 620789943 /nfs/dbraw/zinc/78/99/43/620789943.db2.gz BRKXETUTZQWHAQ-AAOXPJKVSA-N -1 3 316.788 3.348 20 30 DGEDHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(OC)cc1 ZINC000018138040 618308974 /nfs/dbraw/zinc/30/89/74/618308974.db2.gz DRLDBXLANZVVSE-MZYRPWKCSA-N -1 3 314.385 3.167 20 30 DGEDHM N#CC[C@@H](CC(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000793887360 618541302 /nfs/dbraw/zinc/54/13/02/618541302.db2.gz UUQFQKNAKGECPR-LBPRGKRZSA-N -1 3 300.280 3.074 20 30 DGEDHM Cc1cc([C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)ccc1F ZINC000840707641 618979911 /nfs/dbraw/zinc/97/99/11/618979911.db2.gz QONWGQWDLSHVOJ-JOVAIETRSA-N -1 3 302.349 3.216 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CCC2(CCOCC2)O1 ZINC000899227126 619319797 /nfs/dbraw/zinc/31/97/97/619319797.db2.gz FUXAXFBOHBWYTN-XKYMITNMSA-N -1 3 309.793 3.193 20 30 DGEDHM CN(C)[C@H](CC/N=C/c1cc(Cl)ccc1[O-])C(F)(F)F ZINC000899225609 619321128 /nfs/dbraw/zinc/32/11/28/619321128.db2.gz CJDTZDSXAXCIRZ-VGTRTNLYSA-N -1 3 308.731 3.347 20 30 DGEDHM CC(C)c1c(-c2cccc(Cl)c2)[n-]n(C[C@H](C)C#N)c1=O ZINC000899347687 619327688 /nfs/dbraw/zinc/32/76/88/619327688.db2.gz BNCOHJZTIXLIPL-BXUZGUMPSA-N -1 3 303.793 3.318 20 30 DGEDHM CC(C)c1c(-c2cccc(Cl)c2)[n-]n([C@@H](C)CC#N)c1=O ZINC000899350089 619328720 /nfs/dbraw/zinc/32/87/20/619328720.db2.gz UCELIQHNCCGAEI-FZMZJTMJSA-N -1 3 303.793 3.461 20 30 DGEDHM CC(C)Oc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000901375776 619492029 /nfs/dbraw/zinc/49/20/29/619492029.db2.gz MRIIZIXGKZLNFH-UHFFFAOYSA-N -1 3 304.321 3.040 20 30 DGEDHM C[C@H]1C[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CO1 ZINC000901379456 619492685 /nfs/dbraw/zinc/49/26/85/619492685.db2.gz ZWFAEEGGBYKWDP-WCBMZHEXSA-N -1 3 304.173 3.136 20 30 DGEDHM COc1cc(/C=C/C(=O)c2cc3n(n2)CCC3)cc(Cl)c1[O-] ZINC000901561185 619516290 /nfs/dbraw/zinc/51/62/90/619516290.db2.gz LOGPCHUZWAPYBV-SNAWJCMRSA-N -1 3 318.760 3.093 20 30 DGEDHM Cc1nsc(NC2CC2)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177948 619892923 /nfs/dbraw/zinc/89/29/23/619892923.db2.gz UGPXJALCOOYWRC-UHFFFAOYSA-N -1 3 321.377 3.197 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@H]1CCC2(CCOCC2)CO1 ZINC000904207274 619893353 /nfs/dbraw/zinc/89/33/53/619893353.db2.gz XPLZCQHVBPGENT-OAHLLOKOSA-N -1 3 313.438 3.150 20 30 DGEDHM O=C(C1CC2(CC2(F)F)C1)N([O-])Cc1ccccc1Cl ZINC000904192129 619895177 /nfs/dbraw/zinc/89/51/77/619895177.db2.gz AVCNUFFHPQCQOY-UHFFFAOYSA-N -1 3 301.720 3.493 20 30 DGEDHM O=C(c1occ2c1CCOC2)N([O-])Cc1ccccc1Cl ZINC000904193864 619895797 /nfs/dbraw/zinc/89/57/97/619895797.db2.gz XIUXVUMCKBBOSA-UHFFFAOYSA-N -1 3 307.733 3.037 20 30 DGEDHM CCc1c[nH]c(=O)c(C(=O)N([O-])CCCCc2ccccc2)c1 ZINC000904195379 619896037 /nfs/dbraw/zinc/89/60/37/619896037.db2.gz DYIIUVDOSRLLRS-UHFFFAOYSA-N -1 3 314.385 3.204 20 30 DGEDHM O=C(c1ccn(C(F)F)n1)N([O-])CCCCc1ccccc1 ZINC000904197677 619896707 /nfs/dbraw/zinc/89/67/07/619896707.db2.gz LBIJVTTUIONYGS-UHFFFAOYSA-N -1 3 309.316 3.133 20 30 DGEDHM CC[C@@H]1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CCO1 ZINC000904197593 619896842 /nfs/dbraw/zinc/89/68/42/619896842.db2.gz IGUYQTTXYZIDFI-DLBZAZTESA-N -1 3 305.418 3.432 20 30 DGEDHM CCOC1CC2(C[C@@H]2C(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904196275 619896850 /nfs/dbraw/zinc/89/68/50/619896850.db2.gz SCSCAASDZMFEEP-TVRKMHQQSA-N -1 3 317.429 3.432 20 30 DGEDHM C=CC[C@@H](C)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906725824 620117289 /nfs/dbraw/zinc/11/72/89/620117289.db2.gz VKWGMFRBMKXRDP-SECBINFHSA-N -1 3 311.407 3.185 20 30 DGEDHM C#CCCCCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906970308 620130032 /nfs/dbraw/zinc/13/00/32/620130032.db2.gz CUGTZIHTECTWHT-UHFFFAOYSA-N -1 3 323.418 3.023 20 30 DGEDHM CC(C)(CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000907599017 620163516 /nfs/dbraw/zinc/16/35/16/620163516.db2.gz CVHGJRHPFIAJTB-UHFFFAOYSA-N -1 3 320.261 3.497 20 30 DGEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(CC)c1[O-] ZINC000908651364 620215380 /nfs/dbraw/zinc/21/53/80/620215380.db2.gz CRGKHGAANLFEEC-OAHLLOKOSA-N -1 3 301.386 3.095 20 30 DGEDHM COc1cc(OC)c(N=Cc2ccc(O)c([O-])c2O)cc1Cl ZINC000920942984 620828653 /nfs/dbraw/zinc/82/86/53/620828653.db2.gz OMFBWMXYNXJETL-UHFFFAOYSA-N -1 3 323.732 3.225 20 30 DGEDHM CCOc1ccc(OCC)c(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000920944004 620828937 /nfs/dbraw/zinc/82/89/37/620828937.db2.gz NCOGZSHUNYMNKG-UHFFFAOYSA-N -1 3 317.341 3.351 20 30 DGEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000770393859 620889622 /nfs/dbraw/zinc/88/96/22/620889622.db2.gz SZDHJYWNSVNJCC-SECBINFHSA-N -1 3 306.214 3.074 20 30 DGEDHM N#CC1CCC(COC(=O)c2ccc(N)c(Cl)c2[O-])CC1 ZINC000922837587 621106760 /nfs/dbraw/zinc/10/67/60/621106760.db2.gz HZOINZQYOVIGBT-UHFFFAOYSA-N -1 3 308.765 3.115 20 30 DGEDHM CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2ccccc2c1[O-] ZINC000753936546 621472789 /nfs/dbraw/zinc/47/27/89/621472789.db2.gz VUDHKUJHFYSTNL-IAGOWNOFSA-N -1 3 322.412 3.129 20 30 DGEDHM N#CC(=C([O-])C=CC1CCCCC1)c1nnc2n1CCCCC2 ZINC000118143611 621499543 /nfs/dbraw/zinc/49/95/43/621499543.db2.gz WWANAUKKIJIGMG-NKSUMMKUSA-N -1 3 312.417 3.317 20 30 DGEDHM Cc1cc(Br)ccc1NN=Cc1ccc([O-])cn1 ZINC000755698896 621586413 /nfs/dbraw/zinc/58/64/13/621586413.db2.gz MZUXAQNOQZKEKU-UHFFFAOYSA-N -1 3 306.163 3.304 20 30 DGEDHM COc1ccc(C(F)(F)C(=O)[N-][C@@](C)(C#N)CC(C)C)cc1 ZINC000755815316 621595536 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ZINC000864518834 621777495 /nfs/dbraw/zinc/77/74/95/621777495.db2.gz VMZLXSMBDRNDQE-NSHDSACASA-N -1 3 318.598 3.135 20 30 DGEDHM C=C(Cl)C[C@@H](NCc1ccccc1Br)C(=O)[O-] ZINC000864518833 621777520 /nfs/dbraw/zinc/77/75/20/621777520.db2.gz VMZLXSMBDRNDQE-LLVKDONJSA-N -1 3 318.598 3.135 20 30 DGEDHM C=C(C)C[C@@H](NCc1cccc(F)c1Br)C(=O)[O-] ZINC000864529424 621780223 /nfs/dbraw/zinc/78/02/23/621780223.db2.gz IPWKCIXBGDKAJJ-LLVKDONJSA-N -1 3 316.170 3.097 20 30 DGEDHM C[C@H](C[C@H]1CCOC1)/N=C\c1cc(Br)ccc1[O-] ZINC000759643368 621878453 /nfs/dbraw/zinc/87/84/53/621878453.db2.gz MGYQEIHJIIOZEW-YQHSZNCWSA-N -1 3 312.207 3.389 20 30 DGEDHM CCC(CC)NN=Cc1ccc(OC)c([O-])c1Br ZINC000761013269 621979666 /nfs/dbraw/zinc/97/96/66/621979666.db2.gz RMAUCWNVRREHNR-UHFFFAOYSA-N -1 3 315.211 3.275 20 30 DGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1c(Cl)cccc1Cl ZINC000763187515 622128637 /nfs/dbraw/zinc/12/86/37/622128637.db2.gz BSVUZCKHMHGPBT-UHFFFAOYSA-N -1 3 322.151 3.467 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N/CCOCC(F)(F)C(F)F ZINC000765969742 622297118 /nfs/dbraw/zinc/29/71/18/622297118.db2.gz HNTQDZROVMYKQU-NGYBGAFCSA-N -1 3 313.678 3.382 20 30 DGEDHM [O-]c1ccc(Cl)cc1/C=N\CCc1cn2c(n1)SCC2 ZINC000767337292 622391123 /nfs/dbraw/zinc/39/11/23/622391123.db2.gz ISNCRRXZRXTQKY-PXNMLYILSA-N -1 3 307.806 3.009 20 30 DGEDHM CC(=NNC(=S)Nc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000767806456 622423216 /nfs/dbraw/zinc/42/32/16/622423216.db2.gz ZMFJRAHKGTXTBJ-UHFFFAOYSA-N -1 3 320.805 3.151 20 30 DGEDHM C=CCNC(=O)c1ccccc1NC(=O)c1cc(CC)ccc1[O-] ZINC000769653379 622547593 /nfs/dbraw/zinc/54/75/93/622547593.db2.gz OOMOZCPFKXQRJJ-UHFFFAOYSA-N -1 3 324.380 3.123 20 30 DGEDHM N#CCOc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000769709769 622551919 /nfs/dbraw/zinc/55/19/19/622551919.db2.gz JWTQUGPDJATNNO-UHFFFAOYSA-N -1 3 322.364 3.426 20 30 DGEDHM CC(=NNc1ccc(Br)cn1)c1sccc1[O-] ZINC000769780968 622558883 /nfs/dbraw/zinc/55/88/83/622558883.db2.gz BKAHJUVSLZQKNO-UHFFFAOYSA-N -1 3 312.192 3.447 20 30 DGEDHM CC(N=Nc1ccc(Br)cn1)c1sccc1[O-] ZINC000769780968 622558885 /nfs/dbraw/zinc/55/88/85/622558885.db2.gz BKAHJUVSLZQKNO-UHFFFAOYSA-N -1 3 312.192 3.447 20 30 DGEDHM COc1ccc(NN=C(C)c2sccc2[O-])c([N+](=O)[O-])c1 ZINC000769792307 622560551 /nfs/dbraw/zinc/56/05/51/622560551.db2.gz HAUJQNBUAKESAG-UHFFFAOYSA-N -1 3 307.331 3.207 20 30 DGEDHM COc1ccc(N=NC(C)c2sccc2[O-])c([N+](=O)[O-])c1 ZINC000769792307 622560555 /nfs/dbraw/zinc/56/05/55/622560555.db2.gz HAUJQNBUAKESAG-UHFFFAOYSA-N -1 3 307.331 3.207 20 30 DGEDHM CN1CCN(c2ccc(/C=C\C(=O)c3ccccc3[O-])cc2)CC1 ZINC000771526965 622772277 /nfs/dbraw/zinc/77/22/77/622772277.db2.gz YBMAAXOVCHWXAB-FLIBITNWSA-N -1 3 322.408 3.040 20 30 DGEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000771580190 622777036 /nfs/dbraw/zinc/77/70/36/622777036.db2.gz YBNDQECTXTXRGT-MOVJSRMASA-N -1 3 312.753 3.003 20 30 DGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1cc(Cl)cc(Cl)c1 ZINC000790202541 625617120 /nfs/dbraw/zinc/61/71/20/625617120.db2.gz QTSMZXQEGXHCGO-UHFFFAOYSA-N -1 3 322.151 3.467 20 30 DGEDHM N#Cc1ccc(F)cc1COC(=O)c1cccc(Cl)c1[O-] ZINC000775932909 623352450 /nfs/dbraw/zinc/35/24/50/623352450.db2.gz LOTLZJJFKVAYCS-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM C#CCCCCCCN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000877386401 623865180 /nfs/dbraw/zinc/86/51/80/623865180.db2.gz UOURVEPGAKGDCA-UHFFFAOYSA-N -1 3 303.431 3.412 20 30 DGEDHM N#Cc1ccc(OCCCOC(=O)c2cc3occc3[n-]2)cc1 ZINC000786029840 624780356 /nfs/dbraw/zinc/78/03/56/624780356.db2.gz PYEGCKMRFLJBTP-UHFFFAOYSA-N -1 3 310.309 3.258 20 30 DGEDHM N#C[C@@]1(F)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)C1 ZINC000786108688 624801437 /nfs/dbraw/zinc/80/14/37/624801437.db2.gz RVMSQDTZLYZKNT-SFHVURJKSA-N -1 3 314.360 3.455 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCCCc1ccc(OC)c(OC)c1 ZINC000880548996 624975976 /nfs/dbraw/zinc/97/59/76/624975976.db2.gz KLXBRBLWTMRGSG-ZDUSSCGKSA-N -1 3 307.390 3.039 20 30 DGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2occ3c2CCC3)cc1 ZINC000796801037 626084671 /nfs/dbraw/zinc/08/46/71/626084671.db2.gz VMYJRCCQFCPUDH-INIZCTEOSA-N -1 3 322.364 3.292 20 30 DGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3occ4c3CCOC4)nc21 ZINC000797047185 626107979 /nfs/dbraw/zinc/10/79/79/626107979.db2.gz ZRGFIGDBNKUYCP-ZDUSSCGKSA-N -1 3 321.336 3.027 20 30 DGEDHM CCc1occc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000797548547 626152164 /nfs/dbraw/zinc/15/21/64/626152164.db2.gz HEVDCPVSIULSOJ-NSHDSACASA-N -1 3 316.744 3.457 20 30 DGEDHM Cc1ccccc1[C@H]1C[C@H](/N=C\c2c([O-])c(C)ncc2CO)C1 ZINC000798344071 626210534 /nfs/dbraw/zinc/21/05/34/626210534.db2.gz YVNJPAVJRKMZPN-TYMQYUMASA-N -1 3 310.397 3.261 20 30 DGEDHM N#CC1(CCCO[N-]C(=O)CCC2CCCCC2)CCOCC1 ZINC000799175647 626278003 /nfs/dbraw/zinc/27/80/03/626278003.db2.gz JJDKQKBWNXATPJ-UHFFFAOYSA-N -1 3 322.449 3.495 20 30 DGEDHM Cc1ccc(C(=O)Nc2cc(C#N)ccc2NC2CC2)c([O-])c1O ZINC000803320050 626603709 /nfs/dbraw/zinc/60/37/09/626603709.db2.gz PNYNIFYWFHEOKR-UHFFFAOYSA-N -1 3 323.352 3.105 20 30 DGEDHM C=CCC(C)(C)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC000884520074 626895013 /nfs/dbraw/zinc/89/50/13/626895013.db2.gz LUUWUOVXTGAFGL-UHFFFAOYSA-N -1 3 302.330 3.088 20 30 DGEDHM C=CCCCCCCC[N-]S(=O)(=O)c1c(C)noc1C ZINC000809852861 626956768 /nfs/dbraw/zinc/95/67/68/626956768.db2.gz OLSWYHFENORLBX-UHFFFAOYSA-N -1 3 300.424 3.096 20 30 DGEDHM C[C@@H]1OC[C@]2(CC[C@H](C/N=C/c3cc(Cl)ccc3[O-])O2)[C@H]1C ZINC000887272083 627239599 /nfs/dbraw/zinc/23/95/99/627239599.db2.gz GHANMGATIJQUOB-QIIVPROXSA-N -1 3 323.820 3.437 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(C(F)(F)F)cn2)c1 ZINC000811184491 627254554 /nfs/dbraw/zinc/25/45/54/627254554.db2.gz OUNFIGQCRDGVDB-UHFFFAOYSA-N -1 3 322.242 3.035 20 30 DGEDHM COc1cc(C(=O)/C=C\c2cc(F)ccc2OC)ccc1[O-] ZINC000812240090 627363984 /nfs/dbraw/zinc/36/39/84/627363984.db2.gz JFLHMYYWIYHONZ-XQRVVYSFSA-N -1 3 302.301 3.445 20 30 DGEDHM COc1cc(C(=O)/C=C/c2cc(F)ccc2OC)ccc1[O-] ZINC000812240089 627363993 /nfs/dbraw/zinc/36/39/93/627363993.db2.gz JFLHMYYWIYHONZ-GQCTYLIASA-N -1 3 302.301 3.445 20 30 DGEDHM C#C[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)c1ccc(F)cc1 ZINC000812748727 627415760 /nfs/dbraw/zinc/41/57/60/627415760.db2.gz TWUMFPJZBHBBMV-INIZCTEOSA-N -1 3 317.310 3.494 20 30 DGEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(Br)cc1F ZINC000815559319 627684804 /nfs/dbraw/zinc/68/48/04/627684804.db2.gz DFIOIBNQCMMRSS-UHFFFAOYSA-N -1 3 322.124 3.416 20 30 DGEDHM N#Cc1ccc(CNCc2c(F)ccc([O-])c2F)cc1Cl ZINC000816601143 627813616 /nfs/dbraw/zinc/81/36/16/627813616.db2.gz SURQFTVXDGBYBA-UHFFFAOYSA-N -1 3 308.715 3.485 20 30 DGEDHM CC(C)(C#N)c1ccccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000819891653 628196464 /nfs/dbraw/zinc/19/64/64/628196464.db2.gz GAIDCIRPRPXLNZ-UHFFFAOYSA-N -1 3 318.384 3.280 20 30 DGEDHM CC(C)(C#N)CCCNc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819891584 628196474 /nfs/dbraw/zinc/19/64/74/628196474.db2.gz BUMFYBFWGNKLCB-UHFFFAOYSA-N -1 3 304.785 3.262 20 30 DGEDHM C[C@H]1C(N=Nc2ccc(-c3nnn[n-]3)cc2)C[C@H]1c1ccccc1 ZINC000820642694 628281966 /nfs/dbraw/zinc/28/19/66/628281966.db2.gz KYZCULNJZVFTGI-MLGOLLRUSA-N -1 3 318.384 3.458 20 30 DGEDHM C[C@H]1C(N=Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1c1ccccc1 ZINC000820642694 628281969 /nfs/dbraw/zinc/28/19/69/628281969.db2.gz KYZCULNJZVFTGI-MLGOLLRUSA-N -1 3 318.384 3.458 20 30 DGEDHM CCCCCC[C@H](C)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821049009 628331358 /nfs/dbraw/zinc/33/13/58/628331358.db2.gz IVMAJOISQYNITE-LBPRGKRZSA-N -1 3 318.400 3.288 20 30 DGEDHM CCCCCC[C@H](C)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821049009 628331360 /nfs/dbraw/zinc/33/13/60/628331360.db2.gz IVMAJOISQYNITE-LBPRGKRZSA-N -1 3 318.400 3.288 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000821477131 628374016 /nfs/dbraw/zinc/37/40/16/628374016.db2.gz ZPPVBTYPFHSXEE-HYXAFXHYSA-N -1 3 316.411 3.448 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000821477131 628374019 /nfs/dbraw/zinc/37/40/19/628374019.db2.gz ZPPVBTYPFHSXEE-HYXAFXHYSA-N -1 3 316.411 3.448 20 30 DGEDHM Fc1ccc(C#CCSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822767141 628492033 /nfs/dbraw/zinc/49/20/33/628492033.db2.gz XYMALCPKUYXNAK-UHFFFAOYSA-N -1 3 310.357 3.150 20 30 DGEDHM Fc1ccc(C#CCSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822767141 628492038 /nfs/dbraw/zinc/49/20/38/628492038.db2.gz XYMALCPKUYXNAK-UHFFFAOYSA-N -1 3 310.357 3.150 20 30 DGEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822825652 628499629 /nfs/dbraw/zinc/49/96/29/628499629.db2.gz KFDWODJDGPFVJS-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1cccc(Cl)c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822836990 628500899 /nfs/dbraw/zinc/50/08/99/628500899.db2.gz DFAKSVSEBCDPRH-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM N#Cc1cccc(Cl)c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822836990 628500903 /nfs/dbraw/zinc/50/09/03/628500903.db2.gz DFAKSVSEBCDPRH-UHFFFAOYSA-N -1 3 310.748 3.004 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(F)c1 ZINC000822923249 628509403 /nfs/dbraw/zinc/50/94/03/628509403.db2.gz PECQZAGWVQOLFO-UTCJRWHESA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1 ZINC000822923249 628509406 /nfs/dbraw/zinc/50/94/06/628509406.db2.gz PECQZAGWVQOLFO-UTCJRWHESA-N -1 3 312.279 3.041 20 30 DGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c[nH]c2ccccc12 ZINC000822924188 628510405 /nfs/dbraw/zinc/51/04/05/628510405.db2.gz YRQACVVVVCTZNP-FNORWQNLSA-N -1 3 321.365 3.306 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000822935440 628510838 /nfs/dbraw/zinc/51/08/38/628510838.db2.gz LBXLXNFPSWKUAF-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000822935440 628510841 /nfs/dbraw/zinc/51/08/41/628510841.db2.gz LBXLXNFPSWKUAF-WAYWQWQTSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2ccccc21 ZINC000823498291 628569340 /nfs/dbraw/zinc/56/93/40/628569340.db2.gz KKOLQFGQDHQUHK-YRNVUSSQSA-N -1 3 308.366 3.141 20 30 DGEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2ccccc21 ZINC000823498291 628569342 /nfs/dbraw/zinc/56/93/42/628569342.db2.gz KKOLQFGQDHQUHK-YRNVUSSQSA-N -1 3 308.366 3.141 20 30 DGEDHM c1ccc([C@H]2C[C@H]2CN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823861479 628603998 /nfs/dbraw/zinc/60/39/98/628603998.db2.gz KELRKJKZXUFPOI-GOEBONIOSA-N -1 3 304.357 3.068 20 30 DGEDHM c1ccc([C@H]2C[C@H]2CN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823861479 628604000 /nfs/dbraw/zinc/60/40/00/628604000.db2.gz KELRKJKZXUFPOI-GOEBONIOSA-N -1 3 304.357 3.068 20 30 DGEDHM C=CCCC[C@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823894454 628607738 /nfs/dbraw/zinc/60/77/38/628607738.db2.gz QLJINKLPDXWPRY-YLSINNKHSA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCCC[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823894454 628607742 /nfs/dbraw/zinc/60/77/42/628607742.db2.gz QLJINKLPDXWPRY-YLSINNKHSA-N -1 3 312.373 3.168 20 30 DGEDHM C=CCCC[C@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000823894599 628608164 /nfs/dbraw/zinc/60/81/64/628608164.db2.gz UPEXELCCTGYZHC-ZDUSSCGKSA-N -1 3 314.389 3.087 20 30 DGEDHM C=CCCC[C@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000823894599 628608165 /nfs/dbraw/zinc/60/81/65/628608165.db2.gz UPEXELCCTGYZHC-ZDUSSCGKSA-N -1 3 314.389 3.087 20 30 DGEDHM CC(C)(C)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824078005 628625882 /nfs/dbraw/zinc/62/58/82/628625882.db2.gz GWEKTCOFKMMLGJ-UHFFFAOYSA-N -1 3 312.299 3.329 20 30 DGEDHM CC(C)(C)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824078005 628625884 /nfs/dbraw/zinc/62/58/84/628625884.db2.gz GWEKTCOFKMMLGJ-UHFFFAOYSA-N -1 3 312.299 3.329 20 30 DGEDHM CCC(CC)CN(CCC#N)c1cccc(F)c1-c1nnn[n-]1 ZINC000825108365 628728971 /nfs/dbraw/zinc/72/89/71/628728971.db2.gz WQOIPOZWOUEMLR-UHFFFAOYSA-N -1 3 316.384 3.162 20 30 DGEDHM CCC(CC)CN(CCC#N)c1cccc(F)c1-c1nn[n-]n1 ZINC000825108365 628728974 /nfs/dbraw/zinc/72/89/74/628728974.db2.gz WQOIPOZWOUEMLR-UHFFFAOYSA-N -1 3 316.384 3.162 20 30 DGEDHM C[C@@H](NC(=O)[O-])c1ccc(CNCc2ccc(C#N)cc2)cc1 ZINC000825403152 628758176 /nfs/dbraw/zinc/75/81/76/628758176.db2.gz SYXSKHRHPSVNCF-CYBMUJFWSA-N -1 3 309.369 3.177 20 30 DGEDHM C[C@]1(C#N)CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825498179 628768485 /nfs/dbraw/zinc/76/84/85/628768485.db2.gz XOVSYWRTQSLFGH-CQSZACIVSA-N -1 3 309.207 3.280 20 30 DGEDHM CCOc1cccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000825648792 628782354 /nfs/dbraw/zinc/78/23/54/628782354.db2.gz CUYXULIJTKWEBA-ZHACJKMWSA-N -1 3 320.352 3.162 20 30 DGEDHM CCOc1cccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000825648792 628782356 /nfs/dbraw/zinc/78/23/56/628782356.db2.gz CUYXULIJTKWEBA-ZHACJKMWSA-N -1 3 320.352 3.162 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000825703968 628787866 /nfs/dbraw/zinc/78/78/66/628787866.db2.gz ARPMXOXNRZOEQE-DAXSKMNVSA-N -1 3 312.304 3.057 20 30 DGEDHM CCc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000825703968 628787868 /nfs/dbraw/zinc/78/78/68/628787868.db2.gz ARPMXOXNRZOEQE-DAXSKMNVSA-N -1 3 312.304 3.057 20 30 DGEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCc1ccc(CC#N)cc1 ZINC000826242979 628835272 /nfs/dbraw/zinc/83/52/72/628835272.db2.gz OSMCOVQFPAGHPA-UHFFFAOYSA-N -1 3 319.368 3.129 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826285981 628840080 /nfs/dbraw/zinc/84/00/80/628840080.db2.gz PMNDGQPFIXWTSG-TWGQIWQCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826285981 628840084 /nfs/dbraw/zinc/84/00/84/628840084.db2.gz PMNDGQPFIXWTSG-TWGQIWQCSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826306670 628843362 /nfs/dbraw/zinc/84/33/62/628843362.db2.gz HMIUBOOTLNNDFB-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826306670 628843367 /nfs/dbraw/zinc/84/33/67/628843367.db2.gz HMIUBOOTLNNDFB-VQHVLOKHSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1ccsc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826316451 628844684 /nfs/dbraw/zinc/84/46/84/628844684.db2.gz OOBBJZYJOUUZHO-PLNGDYQASA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826316451 628844685 /nfs/dbraw/zinc/84/46/85/628844685.db2.gz OOBBJZYJOUUZHO-PLNGDYQASA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826315372 628844975 /nfs/dbraw/zinc/84/49/75/628844975.db2.gz HOFIIYLPDOSSRO-HYXAFXHYSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826315372 628844977 /nfs/dbraw/zinc/84/49/77/628844977.db2.gz HOFIIYLPDOSSRO-HYXAFXHYSA-N -1 3 314.345 3.272 20 30 DGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCCCC2)n1 ZINC000826350312 628846171 /nfs/dbraw/zinc/84/61/71/628846171.db2.gz QFVJFDYRSIWDTN-UHFFFAOYSA-N -1 3 305.773 3.037 20 30 DGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCCCC2)n1 ZINC000826350312 628846173 /nfs/dbraw/zinc/84/61/73/628846173.db2.gz QFVJFDYRSIWDTN-UHFFFAOYSA-N -1 3 305.773 3.037 20 30 DGEDHM N#CCc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826382728 628850045 /nfs/dbraw/zinc/85/00/45/628850045.db2.gz RUTQZIAOXCFJPX-UHFFFAOYSA-N -1 3 324.775 3.198 20 30 DGEDHM N#CCc1ccc(CSc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382523 628850217 /nfs/dbraw/zinc/85/02/17/628850217.db2.gz IBLBPCDRDDUILO-UHFFFAOYSA-N -1 3 307.382 3.225 20 30 DGEDHM N#CCc1ccc(CSc2ccccc2-c2nn[n-]n2)cc1 ZINC000826382523 628850219 /nfs/dbraw/zinc/85/02/19/628850219.db2.gz IBLBPCDRDDUILO-UHFFFAOYSA-N -1 3 307.382 3.225 20 30 DGEDHM CCN(CC)c1ccc(/C=[NH+]\CC2(C(=O)[O-])CCCC2)c([O-])c1 ZINC000829683751 629182057 /nfs/dbraw/zinc/18/20/57/629182057.db2.gz CPTIUUAXYQZMSP-UNOMPAQXSA-N -1 3 318.417 3.302 20 30 DGEDHM C#C[C@@H](CC)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000830362011 629259013 /nfs/dbraw/zinc/25/90/13/629259013.db2.gz YNMUNKWLBIVEET-VIFPVBQESA-N -1 3 316.145 3.069 20 30 DGEDHM COc1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)ccc1C#N ZINC000832288888 629460130 /nfs/dbraw/zinc/46/01/30/629460130.db2.gz BBCVMJOHNNREBG-LBPRGKRZSA-N -1 3 322.364 3.426 20 30 DGEDHM N#Cc1cccc([C@H](NCc2coc3ccccc23)C(=O)[O-])c1 ZINC000833075981 629556351 /nfs/dbraw/zinc/55/63/51/629556351.db2.gz PKSVPESZZINLQQ-KRWDZBQOSA-N -1 3 306.321 3.220 20 30 DGEDHM C#CC[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000833360066 629591493 /nfs/dbraw/zinc/59/14/93/629591493.db2.gz BMBBDOWGERRCMV-SFHVURJKSA-N -1 3 309.365 3.004 20 30 DGEDHM C=CCCOCCN[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000833375106 629594818 /nfs/dbraw/zinc/59/48/18/629594818.db2.gz WKYNICGUXKFJDD-ZDUSSCGKSA-N -1 3 318.200 3.301 20 30 DGEDHM C[C@]1(c2ccccc2)CCN(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833577549 629624405 /nfs/dbraw/zinc/62/44/05/629624405.db2.gz KJZDBOLUVZNDMM-FQEVSTJZSA-N -1 3 320.392 3.420 20 30 DGEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccsc1 ZINC000834960244 629812854 /nfs/dbraw/zinc/81/28/54/629812854.db2.gz JOBQJXHABGNQMZ-UHFFFAOYSA-N -1 3 322.455 3.024 20 30 DGEDHM C=CCON=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000835015940 629823559 /nfs/dbraw/zinc/82/35/59/629823559.db2.gz PFPLFDGJFCXFDQ-UHFFFAOYSA-N -1 3 300.152 3.090 20 30 DGEDHM C#CC[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000844004762 630706312 /nfs/dbraw/zinc/70/63/12/630706312.db2.gz FJPXZBBDRPIPFR-HNNXBMFYSA-N -1 3 303.377 3.116 20 30 DGEDHM C=C(C)CON=Cc1ccc(OC)c([O-])c1Br ZINC000844618382 630743819 /nfs/dbraw/zinc/74/38/19/630743819.db2.gz SBNKHFALLQVPNE-UHFFFAOYSA-N -1 3 300.152 3.090 20 30 DGEDHM C=CC[C@H]1CC[C@@H](Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)C1 ZINC000846159012 631212814 /nfs/dbraw/zinc/21/28/14/631212814.db2.gz HBNYSHADBOYAKD-QWHCGFSZSA-N -1 3 324.446 3.223 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000846537576 631256924 /nfs/dbraw/zinc/25/69/24/631256924.db2.gz LGOPMNXFFSDYFU-UHFFFAOYSA-N -1 3 304.321 3.037 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000846538247 631257052 /nfs/dbraw/zinc/25/70/52/631257052.db2.gz GUWMUAUIVSJTBI-UHFFFAOYSA-N -1 3 303.280 3.142 20 30 DGEDHM C=C(C)CO[N-]C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 ZINC000846537579 631257425 /nfs/dbraw/zinc/25/74/25/631257425.db2.gz LJRAVZJULGOTKZ-UHFFFAOYSA-N -1 3 322.311 3.176 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000846545008 631257925 /nfs/dbraw/zinc/25/79/25/631257925.db2.gz SVIVYPKAPSRRBY-SECBINFHSA-N -1 3 304.173 3.385 20 30 DGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cc(Br)cs1 ZINC000846543967 631258033 /nfs/dbraw/zinc/25/80/33/631258033.db2.gz DJNYZPQCSGMGQL-MRVPVSSYSA-N 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KCIMEGJGJRFHOR-MRXNPFEDSA-N -1 3 322.355 3.374 20 30 DGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC1CCC1 ZINC000849663680 631929516 /nfs/dbraw/zinc/92/95/16/631929516.db2.gz VZEVEVMABZHCMI-UHFFFAOYSA-N -1 3 316.401 3.332 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)CC(C)(C)C#N)n[n-]2)o1 ZINC000851212362 632344294 /nfs/dbraw/zinc/34/42/94/632344294.db2.gz RYCOFCDOADAQCQ-LLVKDONJSA-N -1 3 301.346 3.463 20 30 DGEDHM Cc1ccc(-c2cc(C(=O)O[C@H](C)CC(C)(C)C#N)[n-]n2)o1 ZINC000851212362 632344298 /nfs/dbraw/zinc/34/42/98/632344298.db2.gz RYCOFCDOADAQCQ-LLVKDONJSA-N -1 3 301.346 3.463 20 30 DGEDHM C#C[C@@](C)(CC)NCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000852104046 632556293 /nfs/dbraw/zinc/55/62/93/632556293.db2.gz ZJNDYBHYZRDJTD-INIZCTEOSA-N -1 3 305.761 3.044 20 30 DGEDHM N#CC(=C([O-])C=Cc1cccc(F)c1)c1nnc2n1CCCCC2 ZINC000072678693 660212633 /nfs/dbraw/zinc/21/26/33/660212633.db2.gz LYYBBCMEJAEAEK-HVHJFMEUSA-N -1 3 324.359 3.033 20 30 DGEDHM CCCCCCC[C@H](C)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000132582494 660524125 /nfs/dbraw/zinc/52/41/25/660524125.db2.gz RRUVJVYIYBNBBX-ZDUSSCGKSA-N -1 3 321.465 3.042 20 30 DGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCc3ccc(F)cc32)c1[O-] ZINC000794833245 661108008 /nfs/dbraw/zinc/10/80/08/661108008.db2.gz MRCUGMXWHHDGET-VXPBSYOQSA-N -1 3 314.360 3.224 20 30 DGEDHM C=CCN1C(=O)/C(=C\c2c(F)ccc([O-])c2F)SC1=S ZINC000794926712 661114104 /nfs/dbraw/zinc/11/41/04/661114104.db2.gz MVOMXJOIKLSNQF-UXBLZVDNSA-N -1 3 313.350 3.058 20 30 DGEDHM N#CC(=C([O-])C=CC1CCCCC1)c1nnc2n1CCCCC2 ZINC000255181812 655632312 /nfs/dbraw/zinc/63/23/12/655632312.db2.gz WWANAUKKIJIGMG-WOLCWHLNSA-N -1 3 312.417 3.317 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(C#N)s2)c(OC)cc1[O-] ZINC000255674272 655888849 /nfs/dbraw/zinc/88/88/49/655888849.db2.gz FYMKVMATLGWZHY-WAYWQWQTSA-N -1 3 315.350 3.239 20 30 DGEDHM COc1cc(C(=O)/C=C\c2ccc(C#N)cc2)c(OC)cc1[O-] ZINC000255780413 655906395 /nfs/dbraw/zinc/90/63/95/655906395.db2.gz YZZKYLZQNHSIKU-FPLPWBNLSA-N -1 3 309.321 3.177 20 30 DGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(F)c(Cl)c2)c1 ZINC000811186367 661231197 /nfs/dbraw/zinc/23/11/97/661231197.db2.gz LUMXCYMVORLMKZ-UHFFFAOYSA-N -1 3 305.692 3.413 20 30 DGEDHM Cc1ncc(CO)c(C=Nc2cccc(C(F)(F)F)c2)c1[O-] ZINC000254623625 658131121 /nfs/dbraw/zinc/13/11/21/658131121.db2.gz AMGNJGYWCMPBSO-UHFFFAOYSA-N -1 3 310.275 3.357 20 30 DGEDHM N#Cc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC000263412978 658226431 /nfs/dbraw/zinc/22/64/31/658226431.db2.gz MCDBJYQFGPIIET-UHFFFAOYSA-N -1 3 306.365 3.421 20 30 DGEDHM CCOc1cc(/C=C/C(=O)c2ccc([O-])c(OC)c2)ccc1O ZINC000008322736 658380454 /nfs/dbraw/zinc/38/04/54/658380454.db2.gz MGRZJYNQHUSVFU-QPJJXVBHSA-N -1 3 314.337 3.401 20 30 DGEDHM [O-]c1ccc(Br)cc1/C=N/CCc1ccccn1 ZINC000060803092 659203697 /nfs/dbraw/zinc/20/36/97/659203697.db2.gz YCJWQHXZEXANEG-MHWRWJLKSA-N -1 3 305.175 3.211 20 30 DGEDHM C=CCN(CCOc1ccccc1C(=O)[O-])Cc1ccccc1 ZINC000183915556 660147343 /nfs/dbraw/zinc/14/73/43/660147343.db2.gz JVLBTDRCGMAKFV-UHFFFAOYSA-N -1 3 311.381 3.452 20 30 DGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)C(F)(F)c1ccccc1 ZINC000076462141 661983648 /nfs/dbraw/zinc/98/36/48/661983648.db2.gz NKSDJWYIEFUNRY-UHFFFAOYSA-N -1 3 304.256 3.445 20 30 DGEDHM C=CCOc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1Cl ZINC000263034327 685124698 /nfs/dbraw/zinc/12/46/98/685124698.db2.gz HQVIIDZLXTZYCB-GXTWGEPZSA-N -1 3 323.820 3.447 20 30 DGEDHM C=C[C@H](C)ONC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001583408719 1192145450 /nfs/dbraw/zinc/14/54/50/1192145450.db2.gz QOZZQVWCBUWVCI-AWEZNQCLSA-N -1 3 311.381 3.413 20 30 DGEDHM C=C[C@H](C)O[N-]C(=O)CCOc1cc(Cl)cc(Cl)c1 ZINC001583407637 1192145564 /nfs/dbraw/zinc/14/55/64/1192145564.db2.gz DKMFWDCNNLZJOL-VIFPVBQESA-N -1 3 304.173 3.385 20 30 DGEDHM C=CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccncc1 ZINC001586308806 1192321109 /nfs/dbraw/zinc/32/11/09/1192321109.db2.gz QABOOPKJTYLGHB-MRXNPFEDSA-N -1 3 310.353 3.037 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588406257 1192446895 /nfs/dbraw/zinc/44/68/95/1192446895.db2.gz SGTZEGHLWBHCBP-JTQLQIEISA-N -1 3 320.780 3.166 20 30 DGEDHM C=C(C)C[C@H](C)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588406257 1192446901 /nfs/dbraw/zinc/44/69/01/1192446901.db2.gz SGTZEGHLWBHCBP-JTQLQIEISA-N -1 3 320.780 3.166 20 30 DGEDHM C=C1CCC(CNc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001588462871 1192447408 /nfs/dbraw/zinc/44/74/08/1192447408.db2.gz SFTILWLTFBQXER-UHFFFAOYSA-N -1 3 304.785 3.073 20 30 DGEDHM C=C1CCC(CNc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001588462871 1192447411 /nfs/dbraw/zinc/44/74/11/1192447411.db2.gz SFTILWLTFBQXER-UHFFFAOYSA-N -1 3 304.785 3.073 20 30 DGEDHM C=C(C)CCSc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588424938 1192447474 /nfs/dbraw/zinc/44/74/74/1192447474.db2.gz ROXCCYDCVPHHNW-UHFFFAOYSA-N -1 3 315.324 3.339 20 30 DGEDHM C=C(C)CCSc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588424938 1192447478 /nfs/dbraw/zinc/44/74/78/1192447478.db2.gz ROXCCYDCVPHHNW-UHFFFAOYSA-N -1 3 315.324 3.339 20 30 DGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588526220 1192448563 /nfs/dbraw/zinc/44/85/63/1192448563.db2.gz SGNLMLPQZDAHGI-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588526220 1192448567 /nfs/dbraw/zinc/44/85/67/1192448567.db2.gz SGNLMLPQZDAHGI-VIFPVBQESA-N -1 3 305.769 3.061 20 30 DGEDHM C=C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001588526184 1192449047 /nfs/dbraw/zinc/44/90/47/1192449047.db2.gz RIDCNADVFRFMDL-IWMPZKFUSA-N -1 3 312.373 3.024 20 30 DGEDHM C=C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001588526184 1192449050 /nfs/dbraw/zinc/44/90/50/1192449050.db2.gz RIDCNADVFRFMDL-IWMPZKFUSA-N -1 3 312.373 3.024 20 30 DGEDHM C=CCCC(C)(C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588577809 1192449649 /nfs/dbraw/zinc/44/96/49/1192449649.db2.gz ODIMYWLUYSLJTB-UHFFFAOYSA-N -1 3 306.801 3.319 20 30 DGEDHM C=CCCC(C)(C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588577809 1192449651 /nfs/dbraw/zinc/44/96/51/1192449651.db2.gz ODIMYWLUYSLJTB-UHFFFAOYSA-N -1 3 306.801 3.319 20 30 DGEDHM C=CCC(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588539340 1192450785 /nfs/dbraw/zinc/45/07/85/1192450785.db2.gz HOZOMZGBUYXTOV-UHFFFAOYSA-N -1 3 316.365 3.098 20 30 DGEDHM C=CCC(C)(C)CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588539340 1192450801 /nfs/dbraw/zinc/45/08/01/1192450801.db2.gz HOZOMZGBUYXTOV-UHFFFAOYSA-N -1 3 316.365 3.098 20 30 DGEDHM C=CCCCCCN(C)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001588593898 1192451665 /nfs/dbraw/zinc/45/16/65/1192451665.db2.gz LCMYLZDYEXZITE-UHFFFAOYSA-N -1 3 320.828 3.406 20 30 DGEDHM C=CCCCCCN(C)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001588593898 1192451671 /nfs/dbraw/zinc/45/16/71/1192451671.db2.gz LCMYLZDYEXZITE-UHFFFAOYSA-N -1 3 320.828 3.406 20 30 DGEDHM C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001589876495 1192476164 /nfs/dbraw/zinc/47/61/64/1192476164.db2.gz XVQMEBSRLFAJEA-NSHDSACASA-N -1 3 322.347 3.093 20 30 DGEDHM C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001589876495 1192476169 /nfs/dbraw/zinc/47/61/69/1192476169.db2.gz XVQMEBSRLFAJEA-NSHDSACASA-N -1 3 322.347 3.093 20 30 DGEDHM CCCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001590592458 1192528090 /nfs/dbraw/zinc/52/80/90/1192528090.db2.gz SFUKBIAALLPSBW-UHFFFAOYSA-N -1 3 321.450 3.409 20 30 DGEDHM CCCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001590592458 1192528092 /nfs/dbraw/zinc/52/80/92/1192528092.db2.gz SFUKBIAALLPSBW-UHFFFAOYSA-N -1 3 321.450 3.409 20 30 DGEDHM CN(c1c(C#N)cccc1-c1nnn[n-]1)C1CCC(C)(C)CC1 ZINC001591155464 1192559238 /nfs/dbraw/zinc/55/92/38/1192559238.db2.gz XAHOOHVKISRSOM-UHFFFAOYSA-N -1 3 310.405 3.143 20 30 DGEDHM CN(c1c(C#N)cccc1-c1nn[n-]n1)C1CCC(C)(C)CC1 ZINC001591155464 1192559241 /nfs/dbraw/zinc/55/92/41/1192559241.db2.gz XAHOOHVKISRSOM-UHFFFAOYSA-N -1 3 310.405 3.143 20 30 DGEDHM CSc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC001591707370 1192569749 /nfs/dbraw/zinc/56/97/49/1192569749.db2.gz INWMHHIAFHMQEO-UHFFFAOYSA-N -1 3 316.415 3.096 20 30 DGEDHM CSc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC001591707370 1192569751 /nfs/dbraw/zinc/56/97/51/1192569751.db2.gz INWMHHIAFHMQEO-UHFFFAOYSA-N -1 3 316.415 3.096 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC001591958679 1192582512 /nfs/dbraw/zinc/58/25/12/1192582512.db2.gz FYAZZOOPXQDEDV-OQFOIZHKSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(C=CC(=O)c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC001591958679 1192582514 /nfs/dbraw/zinc/58/25/14/1192582514.db2.gz FYAZZOOPXQDEDV-OQFOIZHKSA-N -1 3 308.316 3.210 20 30 DGEDHM Cc1cc(OCC#Cc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC001592059548 1192590773 /nfs/dbraw/zinc/59/07/73/1192590773.db2.gz LAAWQXKODBLRRJ-UHFFFAOYSA-N -1 3 324.771 3.259 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)c1 ZINC001592216107 1192603274 /nfs/dbraw/zinc/60/32/74/1192603274.db2.gz HPCYPMHIJIDACB-CLFYSBASSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)c1 ZINC001592216107 1192603277 /nfs/dbraw/zinc/60/32/77/1192603277.db2.gz HPCYPMHIJIDACB-CLFYSBASSA-N -1 3 304.353 3.380 20 30 DGEDHM Cc1ccccc1C[C@@H](C)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592255851 1192604098 /nfs/dbraw/zinc/60/40/98/1192604098.db2.gz GIJCQCSSVWUOIF-CYBMUJFWSA-N -1 3 318.384 3.090 20 30 DGEDHM Cc1ccccc1C[C@@H](C)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592255851 1192604101 /nfs/dbraw/zinc/60/41/01/1192604101.db2.gz GIJCQCSSVWUOIF-CYBMUJFWSA-N -1 3 318.384 3.090 20 30 DGEDHM Clc1ccsc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001592536840 1192616547 /nfs/dbraw/zinc/61/65/47/1192616547.db2.gz VROAAINHNHZUSY-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Clc1ccsc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001592536840 1192616549 /nfs/dbraw/zinc/61/65/49/1192616549.db2.gz VROAAINHNHZUSY-UHFFFAOYSA-N -1 3 304.766 3.028 20 30 DGEDHM Fc1cc(-c2nnn[n-]2)ccc1SCC#Cc1ccccc1 ZINC001592637921 1192619213 /nfs/dbraw/zinc/61/92/13/1192619213.db2.gz UBDRXOYXIRLYAC-UHFFFAOYSA-N -1 3 310.357 3.150 20 30 DGEDHM Fc1cc(-c2nn[n-]n2)ccc1SCC#Cc1ccccc1 ZINC001592637921 1192619214 /nfs/dbraw/zinc/61/92/14/1192619214.db2.gz UBDRXOYXIRLYAC-UHFFFAOYSA-N -1 3 310.357 3.150 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001592699157 1192626422 /nfs/dbraw/zinc/62/64/22/1192626422.db2.gz QBWKGCPKNRMKMB-SGMGOOAPSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001592699157 1192626424 /nfs/dbraw/zinc/62/64/24/1192626424.db2.gz QBWKGCPKNRMKMB-SGMGOOAPSA-N -1 3 308.389 3.119 20 30 DGEDHM N#Cc1ccc(Cl)cc1Oc1cc(F)ccc1-c1nnn[n-]1 ZINC001592693565 1192626531 /nfs/dbraw/zinc/62/65/31/1192626531.db2.gz MSQWQFVZKYJJSW-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM N#Cc1ccc(Cl)cc1Oc1cc(F)ccc1-c1nn[n-]n1 ZINC001592693565 1192626532 /nfs/dbraw/zinc/62/65/32/1192626532.db2.gz MSQWQFVZKYJJSW-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM N#Cc1ccccc1SCCc1ccc(-c2nnn[n-]2)cc1 ZINC001592703020 1192627431 /nfs/dbraw/zinc/62/74/31/1192627431.db2.gz PGWDYAOYAVXTAZ-UHFFFAOYSA-N -1 3 307.382 3.073 20 30 DGEDHM N#Cc1ccccc1SCCc1ccc(-c2nn[n-]n2)cc1 ZINC001592703020 1192627436 /nfs/dbraw/zinc/62/74/36/1192627436.db2.gz PGWDYAOYAVXTAZ-UHFFFAOYSA-N -1 3 307.382 3.073 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1ccccc1-c1nnn[n-]1 ZINC001592804454 1192627232 /nfs/dbraw/zinc/62/72/32/1192627232.db2.gz ZYFKKEAVQRXVNX-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cscc1Cl)c1ccccc1-c1nn[n-]n1 ZINC001592804454 1192627233 /nfs/dbraw/zinc/62/72/33/1192627233.db2.gz ZYFKKEAVQRXVNX-AATRIKPKSA-N -1 3 316.773 3.478 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001592700597 1192627538 /nfs/dbraw/zinc/62/75/38/1192627538.db2.gz LQCINBPCIGYDTN-NTZNESFSSA-N -1 3 311.414 3.267 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1SC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001592700597 1192627545 /nfs/dbraw/zinc/62/75/45/1192627545.db2.gz LQCINBPCIGYDTN-NTZNESFSSA-N -1 3 311.414 3.267 20 30 DGEDHM O=C(C=Cc1ccsc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC001592802402 1192627588 /nfs/dbraw/zinc/62/75/88/1192627588.db2.gz SCARFYINASLRRD-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1ccsc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC001592802402 1192627592 /nfs/dbraw/zinc/62/75/92/1192627592.db2.gz SCARFYINASLRRD-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cc(F)cc(Cl)c1 ZINC001592700323 1192627602 /nfs/dbraw/zinc/62/76/02/1192627602.db2.gz DEEPMNGIPOLYNZ-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cc(F)cc(Cl)c1 ZINC001592700323 1192627604 /nfs/dbraw/zinc/62/76/04/1192627604.db2.gz DEEPMNGIPOLYNZ-UHFFFAOYSA-N -1 3 315.695 3.323 20 30 DGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1csc(Cl)c1 ZINC001592794553 1192627763 /nfs/dbraw/zinc/62/77/63/1192627763.db2.gz PIDBCSXRFWXACO-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1csc(Cl)c1 ZINC001592794553 1192627764 /nfs/dbraw/zinc/62/77/64/1192627764.db2.gz PIDBCSXRFWXACO-SNAWJCMRSA-N -1 3 316.773 3.478 20 30 DGEDHM CC(=O)c1cccc(NC(=S)Nc2ccccc2C#N)c1[O-] ZINC001196322634 1177841359 /nfs/dbraw/zinc/84/13/59/1177841359.db2.gz PWUCAZHMJUUKSX-UHFFFAOYSA-N -1 3 311.366 3.275 20 30 DGEDHM N#CC[C@@H]1CC[C@H](N[C@H](C(=O)[O-])c2c(F)cccc2Cl)C1 ZINC001601076041 1192915922 /nfs/dbraw/zinc/91/59/22/1192915922.db2.gz BZBXYXGHGNQUBO-BHDSKKPTSA-N -1 3 310.756 3.277 20 30 DGEDHM N#Cc1c(F)cccc1CNC[C@H](C(=O)[O-])C1CCCCC1 ZINC001601082271 1192916367 /nfs/dbraw/zinc/91/63/67/1192916367.db2.gz JAZNTQWMBQWMNF-HNNXBMFYSA-N -1 3 304.365 3.068 20 30 DGEDHM CC(C)n1cccc1C([O-])=C(C#N)c1nc(N)c2ccccc2n1 ZINC001341803448 1179063469 /nfs/dbraw/zinc/06/34/69/1179063469.db2.gz YBGUFWTVTHKELH-CYBMUJFWSA-N -1 3 319.368 3.084 20 30 DGEDHM N#CC(=C([O-])C=CSCc1ccco1)c1cccc(F)n1 ZINC001342644702 1179165517 /nfs/dbraw/zinc/16/55/17/1179165517.db2.gz YGXFKHGCCNXAQT-VFFGBVLKSA-N -1 3 302.330 3.437 20 30 DGEDHM N#CC(=C([O-])C1=COCCC1)c1nc2c(cccc2Cl)[nH]1 ZINC001344369468 1179421843 /nfs/dbraw/zinc/42/18/43/1179421843.db2.gz WQCBDRHEDLXAEE-JTQLQIEISA-N -1 3 301.733 3.087 20 30 DGEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3cccc(F)n3)c2)o1 ZINC001344596376 1179456430 /nfs/dbraw/zinc/45/64/30/1179456430.db2.gz OHDCXKAUJHJJNC-ZDUSSCGKSA-N -1 3 322.299 3.069 20 30 DGEDHM CCn1ccnc1C(C#N)=C([O-])c1c(F)cc(OC)cc1Cl ZINC001344864828 1179488848 /nfs/dbraw/zinc/48/88/48/1179488848.db2.gz VXVSBODMTCUCDC-JTQLQIEISA-N -1 3 321.739 3.194 20 30 DGEDHM C=CCCC[C@H](C)Nc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001602834263 1192999760 /nfs/dbraw/zinc/99/97/60/1192999760.db2.gz MVUCBIZVUJNIJJ-VIFPVBQESA-N -1 3 306.801 3.380 20 30 DGEDHM C=CCCC[C@H](C)Nc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001602834263 1192999762 /nfs/dbraw/zinc/99/97/62/1192999762.db2.gz MVUCBIZVUJNIJJ-VIFPVBQESA-N -1 3 306.801 3.380 20 30 DGEDHM N#Cc1cc(NC(=S)Nc2cc(F)cc(F)c2)ccc1[O-] ZINC001200670053 1180798804 /nfs/dbraw/zinc/79/88/04/1180798804.db2.gz REMOLFHXUXVWGX-UHFFFAOYSA-N -1 3 305.309 3.351 20 30 DGEDHM C[C@H](CN(Cc1cc(C#N)cs1)Cc1ccccc1)C(=O)[O-] ZINC001604165476 1193056914 /nfs/dbraw/zinc/05/69/14/1193056914.db2.gz FQWXZNKJUXNWRS-CYBMUJFWSA-N -1 3 314.410 3.343 20 30 DGEDHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cc(Cl)cc(C#N)c1 ZINC001604651654 1193086453 /nfs/dbraw/zinc/08/64/53/1193086453.db2.gz BDMWVPNKLJIOHE-QWRGUYRKSA-N -1 3 306.793 3.285 20 30 DGEDHM N#C[C@@H]1CC[C@H](OC(=O)c2cccc3[n-]c(C(F)F)nc32)C1 ZINC001358087012 1181454346 /nfs/dbraw/zinc/45/43/46/1181454346.db2.gz FHEXYRMOMGBZJY-BDAKNGLRSA-N -1 3 305.284 3.350 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001605265104 1193136752 /nfs/dbraw/zinc/13/67/52/1193136752.db2.gz VCIJKXQWEMASLJ-HJWRWDBZSA-N -1 3 320.352 3.080 20 30 DGEDHM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001605265104 1193136756 /nfs/dbraw/zinc/13/67/56/1193136756.db2.gz VCIJKXQWEMASLJ-HJWRWDBZSA-N -1 3 320.352 3.080 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001605382779 1193145772 /nfs/dbraw/zinc/14/57/72/1193145772.db2.gz KRZREPARLQMTNO-BJMVGYQFSA-N -1 3 322.393 3.485 20 30 DGEDHM CSc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001605382779 1193145773 /nfs/dbraw/zinc/14/57/73/1193145773.db2.gz KRZREPARLQMTNO-BJMVGYQFSA-N -1 3 322.393 3.485 20 30 DGEDHM C#C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC001450854777 1182258585 /nfs/dbraw/zinc/25/85/85/1182258585.db2.gz YRCHMRTUOAQMHW-OAHLLOKOSA-N -1 3 317.747 3.218 20 30 DGEDHM C[C@H](CSC(F)(F)F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001458016283 1182489728 /nfs/dbraw/zinc/48/97/28/1182489728.db2.gz LQJPZQKAAQNKPQ-MRVPVSSYSA-N -1 3 311.300 3.433 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC001458023884 1182490042 /nfs/dbraw/zinc/49/00/42/1182490042.db2.gz OFBHJXDQXITJAZ-SNVBAGLBSA-N -1 3 305.296 3.491 20 30 DGEDHM O=C(c1cc(-c2ccccc2)n[nH]1)N([O-])Cc1ccc(F)cc1 ZINC001458015985 1182490214 /nfs/dbraw/zinc/49/02/14/1182490214.db2.gz HSMQHORTTLGFAT-UHFFFAOYSA-N -1 3 311.316 3.247 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC ZINC001458024691 1182490225 /nfs/dbraw/zinc/49/02/25/1182490225.db2.gz QRKFMNKHZXGGKI-STQMWFEESA-N -1 3 314.426 3.040 20 30 DGEDHM CCS[C@H]1CCCC[C@H]1NCc1cccc(C(=O)[O-])c1C#N ZINC001605741114 1193167730 /nfs/dbraw/zinc/16/77/30/1193167730.db2.gz KTRXDDZMKSFMEK-CVEARBPZSA-N -1 3 318.442 3.410 20 30 DGEDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cscc1C#N ZINC001459419464 1182586693 /nfs/dbraw/zinc/58/66/93/1182586693.db2.gz STXVRICKJUKZEM-UHFFFAOYSA-N -1 3 305.290 3.228 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)s1 ZINC001605834172 1193177707 /nfs/dbraw/zinc/17/77/07/1193177707.db2.gz KIQHKSLPMNYDLL-GHXNOFRVSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)s1 ZINC001605834172 1193177708 /nfs/dbraw/zinc/17/77/08/1193177708.db2.gz KIQHKSLPMNYDLL-GHXNOFRVSA-N -1 3 308.366 3.059 20 30 DGEDHM Cc1cccc(-c2nnn[n-]2)c1SCc1ccccc1C#N ZINC001605899991 1193183296 /nfs/dbraw/zinc/18/32/96/1193183296.db2.gz SSWRMIFPTVARQK-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1cccc(-c2nn[n-]n2)c1SCc1ccccc1C#N ZINC001605899991 1193183299 /nfs/dbraw/zinc/18/32/99/1193183299.db2.gz SSWRMIFPTVARQK-UHFFFAOYSA-N -1 3 307.382 3.339 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001605964816 1193186275 /nfs/dbraw/zinc/18/62/75/1193186275.db2.gz CDCCDMDMFYTWCA-AATRIKPKSA-N -1 3 314.345 3.272 20 30 DGEDHM Cc1ccsc1C(=O)C=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001605964816 1193186277 /nfs/dbraw/zinc/18/62/77/1193186277.db2.gz CDCCDMDMFYTWCA-AATRIKPKSA-N -1 3 314.345 3.272 20 30 DGEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001464141792 1183072663 /nfs/dbraw/zinc/07/26/63/1183072663.db2.gz DXKPDLBLHZISGO-UHFFFAOYSA-N -1 3 305.802 3.360 20 30 DGEDHM N#CCCCCSCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001606347863 1193199343 /nfs/dbraw/zinc/19/93/43/1193199343.db2.gz DTMMVDFFOQFWRV-UHFFFAOYSA-N -1 3 307.810 3.447 20 30 DGEDHM N#CCCCCSCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001606347863 1193199346 /nfs/dbraw/zinc/19/93/46/1193199346.db2.gz DTMMVDFFOQFWRV-UHFFFAOYSA-N -1 3 307.810 3.447 20 30 DGEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc(C2CC2)cc1 ZINC001606379626 1193200129 /nfs/dbraw/zinc/20/01/29/1193200129.db2.gz GQILGPBFTDYMHF-UHFFFAOYSA-N -1 3 302.341 3.359 20 30 DGEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc(C2CC2)cc1 ZINC001606379626 1193200131 /nfs/dbraw/zinc/20/01/31/1193200131.db2.gz GQILGPBFTDYMHF-UHFFFAOYSA-N -1 3 302.341 3.359 20 30 DGEDHM C=C(C)c1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC001472267587 1183629655 /nfs/dbraw/zinc/62/96/55/1183629655.db2.gz NQOZRTOOIGNXDA-UHFFFAOYSA-N -1 3 315.398 3.498 20 30 DGEDHM CCc1nc(C)c(C(=O)N([O-])CCCCc2ccccc2)o1 ZINC001472619506 1183656460 /nfs/dbraw/zinc/65/64/60/1183656460.db2.gz OIWVIKHWWATHAA-UHFFFAOYSA-N -1 3 302.374 3.400 20 30 DGEDHM N#Cc1ccc(C(=O)N([O-])CCCCc2ccccc2)s1 ZINC001472619328 1183656674 /nfs/dbraw/zinc/65/66/74/1183656674.db2.gz HSZGUPFIXHJRGS-UHFFFAOYSA-N -1 3 300.383 3.474 20 30 DGEDHM O=C(c1cc2n(n1)CCCC2)N([O-])CCCCc1ccccc1 ZINC001472619901 1183657165 /nfs/dbraw/zinc/65/71/65/1183657165.db2.gz YGOISKDHRNAJGB-UHFFFAOYSA-N -1 3 313.401 3.074 20 30 DGEDHM O=C(c1cc2ccncc2s1)N([O-])Cc1ccc(F)cc1 ZINC001472621747 1183658357 /nfs/dbraw/zinc/65/83/57/1183658357.db2.gz CDWXLXSGIYLLCI-UHFFFAOYSA-N -1 3 302.330 3.467 20 30 DGEDHM N#Cc1cccc([C@H](N[C@@H]2CCc3cc(F)ccc32)C(=O)[O-])c1 ZINC001608215739 1193283937 /nfs/dbraw/zinc/28/39/37/1193283937.db2.gz OMJTVYVFJVTFBH-SJORKVTESA-N -1 3 310.328 3.100 20 30 DGEDHM CC(=NNc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001609061237 1193322503 /nfs/dbraw/zinc/32/25/03/1193322503.db2.gz OFEBUZLGNGVMIX-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CC(=NNc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001609061237 1193322506 /nfs/dbraw/zinc/32/25/06/1193322506.db2.gz OFEBUZLGNGVMIX-UHFFFAOYSA-N -1 3 312.764 3.356 20 30 DGEDHM CCOc1ccc(NN=Cc2ccc(-c3nnn[n-]3)c(C)c2)cc1 ZINC001609245381 1193332107 /nfs/dbraw/zinc/33/21/07/1193332107.db2.gz LDAVMKLXHWLJKE-UHFFFAOYSA-N -1 3 322.372 3.020 20 30 DGEDHM CCOc1ccc(NN=Cc2ccc(-c3nn[n-]n3)c(C)c2)cc1 ZINC001609245381 1193332108 /nfs/dbraw/zinc/33/21/08/1193332108.db2.gz LDAVMKLXHWLJKE-UHFFFAOYSA-N -1 3 322.372 3.020 20 30 DGEDHM Cc1cc(C#N)ccc1COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001609393273 1193334933 /nfs/dbraw/zinc/33/49/33/1193334933.db2.gz KIFXUJGNRIKUGD-UHFFFAOYSA-N -1 3 319.368 3.243 20 30 DGEDHM Cc1cc(O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001609411088 1193336539 /nfs/dbraw/zinc/33/65/39/1193336539.db2.gz OJCWKCNDHCASMH-LBPRGKRZSA-N -1 3 305.341 3.187 20 30 DGEDHM Cc1cc(O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001609411088 1193336540 /nfs/dbraw/zinc/33/65/40/1193336540.db2.gz OJCWKCNDHCASMH-LBPRGKRZSA-N -1 3 305.341 3.187 20 30 DGEDHM Clc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC001609472402 1193341109 /nfs/dbraw/zinc/34/11/09/1193341109.db2.gz GAFCTKRMCXSFQN-UHFFFAOYSA-N -1 3 323.143 3.213 20 30 DGEDHM Clc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC001609472402 1193341113 /nfs/dbraw/zinc/34/11/13/1193341113.db2.gz GAFCTKRMCXSFQN-UHFFFAOYSA-N -1 3 323.143 3.213 20 30 DGEDHM O=C(C=Cc1scnc1C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001609519648 1193343513 /nfs/dbraw/zinc/34/35/13/1193343513.db2.gz GBZRSHGNDSBMFW-VOTSOKGWSA-N -1 3 323.381 3.097 20 30 DGEDHM O=C(C=Cc1scnc1C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001609519648 1193343516 /nfs/dbraw/zinc/34/35/16/1193343516.db2.gz GBZRSHGNDSBMFW-VOTSOKGWSA-N -1 3 323.381 3.097 20 30 DGEDHM COc1cc(C)cnc1C(=O)N([O-])CCCCc1ccccc1 ZINC001611653067 1193439119 /nfs/dbraw/zinc/43/91/19/1193439119.db2.gz BPZRXZZZIDTYPN-UHFFFAOYSA-N -1 3 314.385 3.253 20 30 DGEDHM O=C(c1ccc(C(F)(F)F)nc1)N([O-])Cc1ccc(F)cc1 ZINC001611662275 1193439165 /nfs/dbraw/zinc/43/91/65/1193439165.db2.gz AULJJISYNHHTIX-UHFFFAOYSA-N -1 3 314.238 3.271 20 30 DGEDHM CC(C)Oc1ncccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001611667253 1193439951 /nfs/dbraw/zinc/43/99/51/1193439951.db2.gz VDHDMSPRCWSXOI-UHFFFAOYSA-N -1 3 304.321 3.040 20 30 DGEDHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(C#N)ccn1 ZINC001521662831 1187036629 /nfs/dbraw/zinc/03/66/29/1187036629.db2.gz XHLMPUXUEJODIN-UHFFFAOYSA-N -1 3 304.309 3.169 20 30 DGEDHM N#CC(=C([O-])c1ccnn1C1CCC1)c1cnc2ccccc2n1 ZINC001525468072 1187316272 /nfs/dbraw/zinc/31/62/72/1187316272.db2.gz DXIVSEIXZDZKPK-CYBMUJFWSA-N -1 3 317.352 3.041 20 30 DGEDHM C=C(C)CCC(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001539863963 1188207559 /nfs/dbraw/zinc/20/75/59/1188207559.db2.gz YBDAECFRIKLNAK-UHFFFAOYSA-N -1 3 301.346 3.034 20 30 DGEDHM CC(=O)c1cccc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)c1[O-] ZINC001556853943 1189024548 /nfs/dbraw/zinc/02/45/48/1189024548.db2.gz YPGOBHDYEOUPBP-UHFFFAOYSA-N -1 3 319.320 3.200 20 30 DGEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC001557129276 1189043266 /nfs/dbraw/zinc/04/32/66/1189043266.db2.gz AREONXVIWFVESP-GFCCVEGCSA-N -1 3 312.344 3.165 20 30 DGEDHM CCCCN([O-])C(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C ZINC001559035410 1189164544 /nfs/dbraw/zinc/16/45/44/1189164544.db2.gz PLNGUWZCXSEDBQ-MRXNPFEDSA-N -1 3 320.433 3.157 20 30 DGEDHM CCCCCCN([O-])C(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC001559034819 1189164752 /nfs/dbraw/zinc/16/47/52/1189164752.db2.gz QNGJCWVOQDPOEG-CQSZACIVSA-N -1 3 308.397 3.450 20 30 DGEDHM C=CCCO[N-]C(=O)Cc1c[nH]c2ccc(Br)cc12 ZINC001630753857 1194302945 /nfs/dbraw/zinc/30/29/45/1194302945.db2.gz UBQVYZVYLPMJAP-UHFFFAOYSA-N -1 3 323.190 3.097 20 30 DGEDHM C#CCN(C(=O)c1ccc(O)cc1[O-])[C@H]1CCCc2ccccc21 ZINC001635885436 1194577348 /nfs/dbraw/zinc/57/73/48/1194577348.db2.gz VGAXSOHFSDDKAL-SFHVURJKSA-N -1 3 321.376 3.251 20 30 DGEDHM CCCCCC[C@@](C)(CCC)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001636546213 1194620003 /nfs/dbraw/zinc/62/00/03/1194620003.db2.gz LUQHKOZWJVOGPP-RHSMWYFYSA-N -1 3 312.454 3.260 20 30 DGEDHM CCCCCCN([O-])C(=O)c1nscc1Br ZINC001639067472 1194749182 /nfs/dbraw/zinc/74/91/82/1194749182.db2.gz ZZVCQTHLQDALIO-UHFFFAOYSA-N -1 3 307.213 3.317 20 30 DGEDHM COC(=O)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001639054543 1194749000 /nfs/dbraw/zinc/74/90/00/1194749000.db2.gz QSOFSCGMEHRSAY-UHFFFAOYSA-N -1 3 319.744 3.158 20 30 DGEDHM COc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001641858395 1194874936 /nfs/dbraw/zinc/87/49/36/1194874936.db2.gz XQANROXYLQGIPA-UHFFFAOYSA-N -1 3 305.761 3.309 20 30 DGEDHM CCCCCCN([O-])C(=O)C[C@@H]1COc2cc(OC)ccc21 ZINC001641867307 1194876191 /nfs/dbraw/zinc/87/61/91/1194876191.db2.gz AZUFWWAFEGLPGF-CYBMUJFWSA-N -1 3 307.390 3.359 20 30 DGEDHM CCCCN([O-])C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001641871499 1194876630 /nfs/dbraw/zinc/87/66/30/1194876630.db2.gz UVYAICPTRZLIDQ-QWHCGFSZSA-N -1 3 314.426 3.088 20 30 DGEDHM CCCCN([O-])C(=O)CCCCNC(=O)OCc1ccccc1 ZINC001641870270 1194876913 /nfs/dbraw/zinc/87/69/13/1194876913.db2.gz GUABPQDFSVKWTI-UHFFFAOYSA-N -1 3 322.405 3.101 20 30 DGEDHM O=C(Cc1ncccc1F)N([O-])Cc1cccc2ccccc21 ZINC001641877715 1194876934 /nfs/dbraw/zinc/87/69/34/1194876934.db2.gz DWJDVWNUHUXBGB-UHFFFAOYSA-N -1 3 310.328 3.334 20 30 DGEDHM C#CC[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC001642509241 1194915052 /nfs/dbraw/zinc/91/50/52/1194915052.db2.gz BERSSNLUNYXKMW-INIZCTEOSA-N -1 3 319.364 3.296 20 30 DGEDHM N#Cc1ccc(CCNC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001645356834 1195177801 /nfs/dbraw/zinc/17/78/01/1195177801.db2.gz POUJGRDOLVNBQX-UHFFFAOYSA-N -1 3 322.389 3.451 20 30 DGEDHM C#Cc1ccc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)cc1 ZINC001647487643 1195248165 /nfs/dbraw/zinc/24/81/65/1195248165.db2.gz BYMGTDXPCFHBLC-UHFFFAOYSA-N -1 3 320.323 3.209 20 30 DGEDHM C=CCCONC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001647928877 1195265644 /nfs/dbraw/zinc/26/56/44/1195265644.db2.gz FWNJMAWTFVSVST-UHFFFAOYSA-N -1 3 313.353 3.209 20 30 DGEDHM N#Cc1cccc(ONC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001648729666 1195326634 /nfs/dbraw/zinc/32/66/34/1195326634.db2.gz WNKPSOMHGKQTPF-UHFFFAOYSA-N -1 3 304.305 3.141 20 30 DGEDHM O=C(c1ccc([N+](=O)[O-])cc1)N([O-])Cc1ccccc1Cl ZINC001651223340 1195427735 /nfs/dbraw/zinc/42/77/35/1195427735.db2.gz AFOYNTNCPZMXRP-UHFFFAOYSA-N -1 3 306.705 3.280 20 30 DGEDHM O=C(c1cccc2c1OCO2)N([O-])Cc1ccccc1Cl ZINC001651223496 1195427843 /nfs/dbraw/zinc/42/78/43/1195427843.db2.gz HHMMLBMKSZFFMC-UHFFFAOYSA-N -1 3 305.717 3.100 20 30 DGEDHM COc1cc(C#N)ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001651225944 1195428793 /nfs/dbraw/zinc/42/87/93/1195428793.db2.gz DWOWANFREKWDIA-UHFFFAOYSA-N -1 3 316.744 3.252 20 30 DGEDHM N#Cc1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1F ZINC001652667937 1195633898 /nfs/dbraw/zinc/63/38/98/1195633898.db2.gz PXLKXZCRQOSSQL-UHFFFAOYSA-N -1 3 308.715 3.485 20 30 DGEDHM CCCCCCN([O-])C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC001654819967 1195844247 /nfs/dbraw/zinc/84/42/47/1195844247.db2.gz YROOLCGWHNPDJL-UHFFFAOYSA-N -1 3 310.350 3.080 20 30 DGEDHM CC(=O)c1cncc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001654826142 1195845832 /nfs/dbraw/zinc/84/58/32/1195845832.db2.gz OTBNCVUZDOWBKC-UHFFFAOYSA-N -1 3 320.348 3.469 20 30 DGEDHM C#CCOc1cccc(Cl)c1CNCc1c([O-])cccc1F ZINC001658941705 1196322379 /nfs/dbraw/zinc/32/23/79/1196322379.db2.gz PPQORTMPORECHH-UHFFFAOYSA-N -1 3 319.763 3.487 20 30 DGEDHM C=C(Cl)CN1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001664656589 1197028033 /nfs/dbraw/zinc/02/80/33/1197028033.db2.gz ONQXFEWZVAMRPJ-CQSZACIVSA-N -1 3 322.836 3.071 20 30 DGEDHM N#Cc1ccc(OC2CN(Cc3ccc(Cl)cc3[O-])C2)cc1 ZINC001664955479 1197081824 /nfs/dbraw/zinc/08/18/24/1197081824.db2.gz ZKWLEKJEROXLHX-UHFFFAOYSA-N -1 3 314.772 3.180 20 30 DGEDHM